NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
20265 |
2fek   |
6934 | cing | 1-original | 2 | AMBER | distance | NOE | simple |
********************************************************************
additional restraints not assigned by SANE
********************************************************************
#
# 12 ASN QD 17 PRO QD 6.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.19, r4= 8.94,
rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
igr1= 182, 183,
igr2= 253, 254,
&end
#
# 12 ASN HN 17 PRO QD 7
&rst
ixpk= 0, nxpk= 0, iat= 173, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 253, 254,
&end
#
# 12 ASN QD 34 SER QB 5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.30, r4= 7.05,
igr1= 182, 183,
igr2= 551, 552,
&end
#
# 82 MET HN 9 CYS HA 5
&rst
ixpk= 0, nxpk= 0, iat=1257, 141, r1= 0.00, r2= 1.80, r3= 5.00, r4= 5.75, &end
#
# 42 GLY HN 43 LYS+ QB 5
&rst
ixpk= 0, nxpk= 0, iat= 646, -1, r1= 0.00, r2= 1.80, r3= 5.61, r4= 6.36,
igr2= 657, 658,
&end
#
# 42 GLY HN 64 CYS HA 5
&rst
ixpk= 0, nxpk= 0, iat= 646, 947, r1= 0.00, r2= 1.80, r3= 5.00, r4= 5.75, &end
#
# 119 LYS+ HN 48 THR MG2 6.5
&rst
ixpk= 0, nxpk= 0, iat=1872, -1, r1= 0.00, r2= 1.80, r3= 7.81, r4= 8.56,
igr2= 724, 725, 726,
&end
#
# 117 TYR HN 116 PRO HA 4.5
&rst
ixpk= 0, nxpk= 0, iat=1827,1823, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 39 ALA HN 67 GLN QG 5.5
&rst
ixpk= 0, nxpk= 0, iat= 601, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 997, 998,
&end
#
# 16 SER HN 15 ARG+ HA 5
&rst
ixpk= 0, nxpk= 0, iat= 241, 219, r1= 0.00, r2= 1.80, r3= 5.00, r4= 5.75, &end
#
# 124 PHE HN 121 ARG+ HA 5
&rst
ixpk= 0, nxpk= 0, iat=1958,1907, r1= 0.00, r2= 1.80, r3= 5.00, r4= 5.75, &end
#
# 124 PHE HN 125 ALA HA 5.5
&rst
ixpk= 0, nxpk= 0, iat=1958,1980, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 132 GLU- HN 130 LEU QB 6
&rst
ixpk= 0, nxpk= 0, iat=2087, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=2053,2054,
&end
#
# 132 GLU- HN 129 THR HN 5.5
&rst
ixpk= 0, nxpk= 0, iat=2087,2035, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 99 GLY HN 101 VAL QG 5.5
&rst
ixpk= 0, nxpk= 0, iat=1552, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1587,1588,1589,1591,1592,1593,
&end
#
# 12 ASN QD 63 HIS HE1 4
&rst
ixpk= 0, nxpk= 0, iat= -1, 938, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 182, 183,
&end
#
# 1 MET N 147 VAL QG 5
&rst
ixpk= 0, nxpk= 0, iat= 1, -1, r1= 0.00, r2= 1.80, r3= 6.74, r4= 7.49,
igr2=2330,2331,2332,2334,2335,2336,
&end
#
# 1 MET HA 147 VAL QG 5
&rst
ixpk= 0, nxpk= 0, iat= 6, -1, r1= 0.00, r2= 1.80, r3= 6.74, r4= 7.49,
igr2=2330,2331,2332,2334,2335,2336,
&end
#
# 63 HIS HN 63 HIS HN 5.5
#This appears to be self-referential: ignoring
#
# 62 GLY QA 61 GLU- QG 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 923, 924,
igr2= 913, 914,
&end
#
# 14 CYS HN 13 ILE HB 5
&rst
ixpk= 0, nxpk= 0, iat= 206, 191, r1= 0.00, r2= 1.80, r3= 5.00, r4= 5.75, &end
#
# 14 CYS HN 16 SER HN 4
&rst
ixpk= 0, nxpk= 0, iat= 206, 241, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 39 ALA HA 40 LEU HA 6
&rst
ixpk= 0, nxpk= 0, iat= 603, 613, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 46 ASP- HN 14 CYS HA 5
&rst
ixpk= 0, nxpk= 0, iat= 692, 208, r1= 0.00, r2= 1.80, r3= 5.00, r4= 5.75, &end
#
# 49 ALA HN 14 CYS HA 5
&rst
ixpk= 0, nxpk= 0, iat= 732, 208, r1= 0.00, r2= 1.80, r3= 5.00, r4= 5.75, &end
#
# 10 VAL HN 86 HIS HD2 5
&rst
ixpk= 0, nxpk= 0, iat= 150,1348, r1= 0.00, r2= 1.80, r3= 5.00, r4= 5.75, &end
#
# 10 VAL HN 15 ARG+ HE 6.5
&rst
ixpk= 0, nxpk= 0, iat= 150, 230, r1= 0.00, r2= 1.80, r3= 6.50, r4= 7.25, &end
#
# 1 MET QB 2 PHE QD 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 8, 9,
igr2= 29, 37,
&end
#
# 1 MET QE 146 GLN QE2 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 15, 16, 17,
igr2=2319,2320,
&end
#
# 24 GLN QE2 21 ARG+ QD 5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.30, r4= 7.05,
igr1= 379, 380,
igr2= 315, 316,
&end
#
# 146 GLN QE2 145 GLU- QG 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=2319,2320,
igr2=2299,2300,
&end
#
# 110 GLU- QG 84 LYS+ QE 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1734,1735,
igr2=1302,1303,
&end
#
# 127 VAL QG 114 PRO QG 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2004,2005,2006,2008,2009,2010,
igr2=1791,1792,
&end
#
# 76 TYR QB 4 ASN QD2 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1157,1158,
igr2= 64, 65,
&end
#
# 144 ALA QB 146 GLN QE2 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=2286,2287,2288,
igr2=2319,2320,
&end
#
# 64 CYS HA 44 GLY QA 6.5
&rst
ixpk= 0, nxpk= 0, iat= 947, -1, r1= 0.00, r2= 1.80, r3= 7.30, r4= 8.05,
igr2= 677, 678,
&end
#
# 61 GLU- HN 58 LEU QD 5.5
&rst
ixpk= 0, nxpk= 0, iat= 906, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 866, 867, 868, 870, 871, 872,
&end
#
# 27 HIS HN 30 LEU QD 5.5
&rst
ixpk= 0, nxpk= 0, iat= 429, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 484, 485, 486, 488, 489, 490,
&end
#
# 24 GLN HN 24 GLN QE2 6
&rst
ixpk= 0, nxpk= 0, iat= 367, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 379, 380,
&end
#
# 27 HIS HN 24 GLN QE2 6
&rst
ixpk= 0, nxpk= 0, iat= 429, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 379, 380,
&end
#
# 30 LEU HN 24 GLN QE2 4
&rst
ixpk= 0, nxpk= 0, iat= 475, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2= 379, 380,
&end
#
# 32 VAL HN 24 GLN QE2 4
&rst
ixpk= 0, nxpk= 0, iat= 516, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2= 379, 380,
&end
#
# 137 GLN QE2 140 GLN QB 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=2183,2184,
igr2=2226,2227,
&end
#
# 137 GLN QE2 140 GLN QG 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2183,2184,
igr2=2229,2230,
&end
#
# 133 ARG+ HN 128 TYR QE 6.5
&rst
ixpk= 0, nxpk= 0, iat=2102, -1, r1= 0.00, r2= 1.80, r3= 7.30, r4= 8.05,
igr2=2024,2029,
&end
#
# 133 ARG+ HN 128 TYR QD 6.5
&rst
ixpk= 0, nxpk= 0, iat=2102, -1, r1= 0.00, r2= 1.80, r3= 7.30, r4= 8.05,
igr2=2022,2031,
&end
#
# 118 ARG+ QD 117 TYR QD 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1858,1859,
igr2=1835,1844,
&end
#
# 118 ARG+ QD 117 TYR QE 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1858,1859,
igr2=1837,1842,
&end
#
# 84 LYS+ QD 103 LEU QD 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1299,1300,
igr2=1623,1624,1625,1627,1628,1629,
&end
#
# 2 PHE QB 142 LEU QD 5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.57, r4= 8.32,
igr1= 25, 26,
igr2=2258,2259,2260,2262,2263,2264,
&end
#
# 2 PHE QE 142 LEU QD 5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.57, r4= 8.32,
igr1= 31, 35,
igr2=2258,2259,2260,2262,2263,2264,
&end
#
# 131 LEU QD 22 LEU QD 5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.09, r4= 9.84,
igr1=2077,2078,2079,2081,2082,2083,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 90 LEU QD 81 THR HA 5
&rst
ixpk= 0, nxpk= 0, iat= -1,1245, r1= 0.00, r2= 1.80, r3= 6.74, r4= 7.49,
igr1=1419,1420,1421,1423,1424,1425,
&end
#
# 86 HIS QB 90 LEU QD 5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.57, r4= 8.32,
igr1=1339,1340,
igr2=1419,1420,1421,1423,1424,1425,
&end
#
# 40 LEU QD 117 TYR QD 5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.57, r4= 8.32,
igr1= 620, 621, 622, 624, 625, 626,
igr2=1835,1844,
&end
#
# 30 LEU QD 142 LEU QD 5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.09, r4= 9.84,
igr1= 484, 485, 486, 488, 489, 490,
igr2=2258,2259,2260,2262,2263,2264,
&end
#
# 78 LEU QD 2 PHE QB 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1195,1196,1197,1199,1200,1201,
igr2= 25, 26,
&end
#
# 142 LEU QD 78 LEU QD 5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.09, r4= 9.84,
igr1=2258,2259,2260,2262,2263,2264,
igr2=1195,1196,1197,1199,1200,1201,
&end
#
# 142 LEU QD 2 PHE HN 5
&rst
ixpk= 0, nxpk= 0, iat= -1, 21, r1= 0.00, r2= 1.80, r3= 6.74, r4= 7.49,
igr1=2258,2259,2260,2262,2263,2264,
&end
#
# 11 GLY QA 39 ALA QB 5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.74, r4= 7.49,
igr1= 168, 169,
igr2= 605, 606, 607,
&end
#
# 147 VAL QG 2 PHE QE 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=2330,2331,2332,2334,2335,2336,
igr2= 31, 35,
&end
#
# 147 VAL QG 2 PHE QD 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=2330,2331,2332,2334,2335,2336,
igr2= 29, 37,
&end
********************************************************************
Nnoesy retrtains
********************************************************************
#
# 68 ILE HN 36 GLY HN 5.50 (# 0:10 Preassigned 3.03, 3.50 A)
&rst
ixpk= 0, nxpk= 10, iat=1007, 568, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
&end
#
# 8 VAL MGX 36 GLY HN 5.50 (# 1:10 Preassigned 3.51, 5.61 A)
&rst
ixpk= 1, nxpk= 10, iat= -1, 568, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 129, 130, 131, 133, 134, 135,
&end
#
# 0 AMB 10-2:2 36 GLY HN 5.50 (# 2:10 Single Ambig )
&rst
ixpk= 2, nxpk= 10, iat= -1, 568, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 575, 990,
&end
#
# 36 GLY HA- 36 GLY HN 5.50 (# 3:10 Preassigned 2.38, 2.76 A)
&rst
ixpk= 3, nxpk= 10, iat= -1, 568, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 570, 571,
&end
#
# 0 AMB 10-2:4 36 GLY HN 4.00 (# 4:10 Single Ambig )
&rst
ixpk= 4, nxpk= 10, iat= -1, 568, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 992, 560,
&end
#
# 39 ALA HA 36 GLY HN 6.00 (# 5:10 Preassigned 3.96, 4.59 A)
&rst
ixpk= 5, nxpk= 10, iat= 603, 568, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 36 GLY HA+ 36 GLY HN 5.50 (# 7:10 Preassigned 2.38, 2.76 A)
&rst
ixpk= 7, nxpk= 10, iat= -1, 568, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 570, 571,
&end
#
# 35 ALA MB 36 GLY HN 4.00 (# 9:10 Preassigned 2.15, 3.17 A)
&rst
ixpk= 9, nxpk= 10, iat= -1, 568, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1= 562, 563, 564,
&end
#
# 66 ARG HN 36 GLY HN 5.50 (# 10:10 Preassigned 2.78, 3.33 A)
&rst
ixpk= 10, nxpk= 10, iat= 966, 568, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 66 ARG HB+ 36 GLY HN 5.50 (# 12:10 Preassigned 4.53, 5.66 A)
&rst
ixpk= 12, nxpk= 10, iat= -1, 568, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 970, 971,
&end
#
# 66 ARG HG+ 36 GLY HN 5.50 (# 13:10 Preassigned 3.60, 4.71 A)
&rst
ixpk= 13, nxpk= 10, iat= -1, 568, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 973, 974,
&end
#
# 68 ILE QD1 36 GLY HN 5.50 (# 14:10 Unique 5.05, 6.58 A)
&rst
ixpk= 14, nxpk= 10, iat= -1, 568, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1020,1021,1022,
&end
#
# 66 ARG HN 65 ALA HN 5.50 (# 15:10 Preassigned 4.46, 4.55 A)
&rst
ixpk= 15, nxpk= 10, iat= 966, 956, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 64 CYS HN 65 ALA HN 5.50 (# 16:10 Preassigned 3.83, 4.16 A)
&rst
ixpk= 16, nxpk= 10, iat= 945, 956, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 65 ALA HA 65 ALA HN 4.00 (# 17:10 Preassigned 2.81, 2.89 A)
&rst
ixpk= 17, nxpk= 10, iat= 958, 956, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 64 CYS HB- 65 ALA HN 5.50 (# 18:10 Preassigned 2.73, 3.71 A)
&rst
ixpk= 18, nxpk= 10, iat= -1, 956, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 949, 950,
&end
#
# 43 LYS HN 65 ALA HN 5.50 (# 20:10 Preassigned 3.68, 3.82 A)
&rst
ixpk= 20, nxpk= 10, iat= 653, 956, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 63 HIS HD2 65 ALA HN 5.50 (# 21:10 Preassigned 3.27, 4.32 A)
&rst
ixpk= 21, nxpk= 10, iat= 941, 956, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 64 CYS HA 65 ALA HN 2.80 (# 22:10 Preassigned 2.11, 2.21 A)
&rst
ixpk= 22, nxpk= 10, iat= 947, 956, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 64 CYS HB+ 65 ALA HN 5.50 (# 23:10 Preassigned 2.73, 3.71 A)
&rst
ixpk= 23, nxpk= 10, iat= -1, 956, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 949, 950,
&end
#
# 65 ALA MB 65 ALA HN 4.00 (# 24:10 Preassigned 2.27, 2.87 A)
&rst
ixpk= 24, nxpk= 10, iat= -1, 956, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1= 960, 961, 962,
&end
#
# 138 TRP HZ2 138 TRP HE1 5.50 (# 26:10 Preassigned 2.87, 2.90 A)
&rst
ixpk= 26, nxpk= 10, iat=2201,2198, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 107 TRP HD1 138 TRP HE1 5.50 (# 27:10 Preassigned 2.92, 3.34 A)
&rst
ixpk= 27, nxpk= 10, iat=1685,2198, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 107 TRP HE1 138 TRP HE1 5.50 (# 28:10 Preassigned 2.86, 3.65 A)
&rst
ixpk= 28, nxpk= 10, iat=1687,2198, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 104 PHE HA 138 TRP HE1 4.00 (# 30:10 Preassigned 1.83, 2.27 A)
&rst
ixpk= 30, nxpk= 10, iat=1635,2198, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 104 PHE HB- 138 TRP HE1 5.50 (# 31:10 Preassigned 4.07, 4.76 A)
&rst
ixpk= 31, nxpk= 10, iat= -1,2198, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1637,1638,
&end
#
# 80 LEU MDY 138 TRP HE1 5.50 (# 32:10 Preassigned 2.73, 4.90 A)
&rst
ixpk= 32, nxpk= 10, iat= -1,2198, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1233,1234,1235,1237,1238,1239,
&end
#
# 107 TRP HN 138 TRP HE1 5.50 (# 33:10 Preassigned 3.82, 4.50 A)
&rst
ixpk= 33, nxpk= 10, iat=1677,2198, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 138 TRP HD1 138 TRP HE1 4.00 (# 34:10 Preassigned 2.52, 2.56 A)
&rst
ixpk= 34, nxpk= 10, iat=2196,2198, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 134 SER HA 138 TRP HE1 7.00 (# 35:10 Preassigned 4.69, 5.56 A)
&rst
ixpk= 35, nxpk= 10, iat=2128,2198, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 106 HIS HB- 138 TRP HE1 5.50 (# 36:10 Preassigned 2.55, 4.22 A)
&rst
ixpk= 36, nxpk= 10, iat= -1,2198, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1664,1665,
&end
#
# 134 SER HB+ 138 TRP HE1 7.00 (# 37:10 Preassigned 3.14, 4.77 A)
&rst
ixpk= 37, nxpk= 10, iat= -1,2198, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=2130,2131,
&end
#
# 106 HIS HB+ 138 TRP HE1 5.50 (# 39:10 Preassigned 2.55, 4.22 A)
&rst
ixpk= 39, nxpk= 10, iat= -1,2198, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1664,1665,
&end
#
# 80 LEU MDX 138 TRP HE1 5.50 (# 40:10 Preassigned 2.73, 4.90 A)
&rst
ixpk= 40, nxpk= 10, iat= -1,2198, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1233,1234,1235,1237,1238,1239,
&end
#
# 106 HIS HN 138 TRP HE1 5.50 (# 41:10 Preassigned 2.93, 3.83 A)
&rst
ixpk= 41, nxpk= 10, iat=1660,2198, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 106 HIS HD2 138 TRP HE1 5.50 (# 42:10 Preassigned 4.69, 5.27 A)
&rst
ixpk= 42, nxpk= 10, iat=1673,2198, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 103 LEU HB- 138 TRP HE1 7.00 (# 43:10 Preassigned 4.60, 6.13 A)
&rst
ixpk= 43, nxpk= 10, iat= -1,2198, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1618,1619,
&end
#
# 102 MET ME 138 TRP HE1 7.00 (# 44:10 Preassigned 4.03, 6.80 A)
&rst
ixpk= 44, nxpk= 10, iat= -1,2198, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1=1608,1609,1610,
&end
#
# 80 LEU HG 138 TRP HE1 5.50 (# 45:10 Preassigned 3.28, 4.43 A)
&rst
ixpk= 45, nxpk= 10, iat=1231,2198, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 105 GLY HN 104 PHE HN 5.50 (# 46:10 Preassigned 2.63, 2.86 A)
&rst
ixpk= 46, nxpk= 10, iat=1653,1633, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 103 LEU HN 104 PHE HN 7.00 (# 47:10 Preassigned 4.36, 4.52 A)
&rst
ixpk= 47, nxpk= 10, iat=1614,1633, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 81 THR HN 104 PHE HN 5.50 (# 48:10 Preassigned 2.86, 3.13 A)
&rst
ixpk= 48, nxpk= 10, iat=1243,1633, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:49 104 PHE HN 5.50 (# 49:10 Single Ambig )
&rst
ixpk= 49, nxpk= 10, iat= -1,1633, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1245,1226,
&end
#
# 82 MET HA 104 PHE HN 5.50 (# 50:10 Preassigned 2.65, 2.96 A)
&rst
ixpk= 50, nxpk= 10, iat=1259,1633, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 103 LEU HA 104 PHE HN 4.00 (# 51:10 Preassigned 2.17, 2.24 A)
&rst
ixpk= 51, nxpk= 10, iat=1616,1633, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 104 PHE HB- 104 PHE HN 4.00 (# 52:10 Preassigned 2.07, 2.80 A)
&rst
ixpk= 52, nxpk= 10, iat= -1,1633, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1637,1638,
&end
#
# 103 LEU HB- 104 PHE HN 5.50 (# 53:10 Preassigned 2.64, 4.14 A)
&rst
ixpk= 53, nxpk= 10, iat= -1,1633, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1618,1619,
&end
#
# 103 LEU MDX 104 PHE HN 5.50 (# 55:10 Preassigned 2.25, 4.61 A)
&rst
ixpk= 55, nxpk= 10, iat= -1,1633, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1623,1624,1625,1627,1628,1629,
&end
#
# 103 LEU HB+ 104 PHE HN 5.50 (# 56:10 Preassigned 2.64, 4.14 A)
&rst
ixpk= 56, nxpk= 10, iat= -1,1633, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1618,1619,
&end
#
# 104 PHE HD 104 PHE HN 5.50 (# 57:10 Preassigned 2.17, 4.04 A)
&rst
ixpk= 57, nxpk= 10, iat= -1,1633, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1641,1649,
&end
#
# 104 PHE HA 104 PHE HN 5.50 (# 59:10 Preassigned 2.69, 2.80 A)
&rst
ixpk= 59, nxpk= 10, iat=1635,1633, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 104 PHE HB+ 104 PHE HN 4.00 (# 60:10 Preassigned 2.07, 2.80 A)
&rst
ixpk= 60, nxpk= 10, iat= -1,1633, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1637,1638,
&end
#
# 103 LEU MDY 104 PHE HN 5.50 (# 61:10 Preassigned 2.25, 4.61 A)
&rst
ixpk= 61, nxpk= 10, iat= -1,1633, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1623,1624,1625,1627,1628,1629,
&end
#
# 61 GLU HN 60 LEU HN 5.50 (# 62:10 Preassigned 2.31, 3.06 A)
&rst
ixpk= 62, nxpk= 10, iat= 906, 887, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:63 60 LEU HN 4.00 (# 63:10 Single Ambig )
&rst
ixpk= 63, nxpk= 10, iat= -1, 887, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 878, 889,
&end
#
# 58 LEU MDY 60 LEU HN 5.50 (# 64:10 Preassigned 2.86, 6.75 A)
&rst
ixpk= 64, nxpk= 10, iat= -1, 887, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 866, 867, 868, 870, 871, 872,
&end
#
# 59 SER HN 60 LEU HN 5.50 (# 65:10 Preassigned 2.92, 4.24 A)
&rst
ixpk= 65, nxpk= 10, iat= 876, 887, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:67 60 LEU HN 5.50 (# 67:10 Single Ambig )
&rst
ixpk= 67, nxpk= 10, iat= -1, 887, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 800, 908,
&end
#
# 0 AMB 10-2:68 60 LEU HN 4.00 (# 68:10 Single Ambig )
&rst
ixpk= 68, nxpk= 10, iat= -1, 887, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1= 880, 881, 880, 881,
&end
#
# 50 ILE HA 60 LEU HN 6.00 (# 69:10 Preassigned 3.28, 4.25 A)
&rst
ixpk= 69, nxpk= 10, iat= 744, 887, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:70 60 LEU HN 5.50 (# 70:10 Single Ambig )
&rst
ixpk= 70, nxpk= 10, iat= -1, 887, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 913, 914, 913, 914,
&end
#
# 0 AMB 10-2:71 60 LEU HN 5.50 (# 71:10 Single Ambig )
&rst
ixpk= 71, nxpk= 10, iat= -1, 887, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 861, 862, 312, 313,
&end
#
# 60 LEU HB- 60 LEU HN 5.50 (# 73:10 Preassigned 2.18, 2.92 A)
&rst
ixpk= 73, nxpk= 10, iat= -1, 887, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 891, 892,
&end
#
# 60 LEU HB+ 60 LEU HN 4.00 (# 74:10 Preassigned 2.18, 2.92 A)
&rst
ixpk= 74, nxpk= 10, iat= -1, 887, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 891, 892,
&end
#
# 50 ILE QG2 60 LEU HN 5.50 (# 75:10 Preassigned 3.14, 5.24 A)
&rst
ixpk= 75, nxpk= 10, iat= -1, 887, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 748, 749, 750,
&end
#
# 60 LEU MDY 60 LEU HN 5.50 (# 76:10 Preassigned 2.08, 4.68 A)
&rst
ixpk= 76, nxpk= 10, iat= -1, 887, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 896, 897, 898, 900, 901, 902,
&end
#
# 5 ILE HN 6 LEU HN 6.00 (# 77:10 Preassigned 4.21, 4.47 A)
&rst
ixpk= 77, nxpk= 10, iat= 69, 88, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:78 6 LEU HN 5.50 (# 78:10 Single Ambig )
&rst
ixpk= 78, nxpk= 10, iat= -1, 88, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1224, 107,
&end
#
# 0 AMB 10-2:79 6 LEU HN 5.50 (# 79:10 Single Ambig )
&rst
ixpk= 79, nxpk= 10, iat= -1, 88, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 532,1205,
&end
#
# 76 TYR HD 6 LEU HN 5.50 (# 80:10 Preassigned 3.86, 5.45 A)
&rst
ixpk= 80, nxpk= 10, iat= -1, 88, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1161,1170,
&end
#
# 79 ILE HA 6 LEU HN 4.00 (# 81:10 Preassigned 2.64, 2.84 A)
&rst
ixpk= 81, nxpk= 10, iat=1207, 88, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 5 ILE HA 6 LEU HN 2.80 (# 82:10 Preassigned 2.20, 2.28 A)
&rst
ixpk= 82, nxpk= 10, iat= 71, 88, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 6 LEU HB- 6 LEU HN 4.00 (# 83:10 Preassigned 2.51, 2.85 A)
&rst
ixpk= 83, nxpk= 10, iat= -1, 88, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 92, 93,
&end
#
# 79 ILE HG1- 6 LEU HN 5.50 (# 84:10 Preassigned 3.15, 5.10 A)
&rst
ixpk= 84, nxpk= 10, iat= -1, 88, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1215,1216,
&end
#
# 0 AMB 10-2:85 6 LEU HN 5.50 (# 85:10 Single Ambig )
&rst
ixpk= 85, nxpk= 10, iat= -1, 88, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1218,1219,1220, 95,
&end
#
# 79 ILE QG2 6 LEU HN 5.50 (# 86:10 Preassigned 4.04, 5.57 A)
&rst
ixpk= 86, nxpk= 10, iat= -1, 88, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1211,1212,1213,
&end
#
# 5 ILE QG2 6 LEU HN 4.00 (# 87:10 Preassigned 2.47, 3.29 A)
&rst
ixpk= 87, nxpk= 10, iat= -1, 88, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1= 75, 76, 77,
&end
#
# 6 LEU MDX 6 LEU HN 5.50 (# 88:10 Preassigned 4.82, 5.50 A)
&rst
ixpk= 88, nxpk= 10, iat= -1, 88, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 97, 98, 99, 101, 102, 103,
&end
#
# 0 AMB 10-2:89 6 LEU HN 5.50 (# 89:10 Single Ambig )
&rst
ixpk= 89, nxpk= 10, iat= -1, 88, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1233,1234,1235,1237,1238,1239, 97, 98, 99, 101,
102, 103,
&end
#
# 78 LEU HN 6 LEU HN 5.50 (# 90:10 Preassigned 3.22, 3.64 A)
&rst
ixpk= 90, nxpk= 10, iat=1186, 88, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 6 LEU HA 6 LEU HN 5.50 (# 91:10 Preassigned 2.95, 2.96 A)
&rst
ixpk= 91, nxpk= 10, iat= 90, 88, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 76 TYR HB- 6 LEU HN 5.50 (# 92:10 Preassigned 3.23, 4.20 A)
&rst
ixpk= 92, nxpk= 10, iat= -1, 88, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1157,1158,
&end
#
# 76 TYR HB+ 6 LEU HN 5.50 (# 93:10 Preassigned 3.23, 4.20 A)
&rst
ixpk= 93, nxpk= 10, iat= -1, 88, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1157,1158,
&end
#
# 5 ILE HB 6 LEU HN 6.00 (# 94:10 Preassigned 3.84, 4.06 A)
&rst
ixpk= 94, nxpk= 10, iat= 73, 88, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 79 ILE HG1+ 6 LEU HN 5.50 (# 95:10 Preassigned 3.15, 5.10 A)
&rst
ixpk= 95, nxpk= 10, iat= -1, 88, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1215,1216,
&end
#
# 6 LEU HB+ 6 LEU HN 5.50 (# 96:10 Preassigned 2.51, 2.85 A)
&rst
ixpk= 96, nxpk= 10, iat= -1, 88, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 92, 93,
&end
#
# 0 AMB 10-2:97 68 ILE HN 5.50 (# 97:10 Single Ambig )
&rst
ixpk= 97, nxpk= 10, iat= -1,1007, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 990, 575,
&end
#
# 67 GLN HE2+ 68 ILE HN 5.50 (# 98:10 Preassigned 2.83, 4.30 A)
&rst
ixpk= 98, nxpk= 10, iat= -1,1007, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1002,1003,
&end
#
# 68 ILE HA 68 ILE HN 5.50 (# 99:10 Preassigned 2.81, 2.87 A)
&rst
ixpk= 99, nxpk= 10, iat=1009,1007, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 67 GLN HG- 68 ILE HN 5.50 (# 100:10 Preassigned 2.33, 3.64 A)
&rst
ixpk= 100, nxpk= 10, iat= -1,1007, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 997, 998,
&end
#
# 35 ALA MB 68 ILE HN 5.50 (# 101:10 Preassigned 3.17, 4.45 A)
&rst
ixpk= 101, nxpk= 10, iat= -1,1007, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 562, 563, 564,
&end
#
# 39 ALA MB 68 ILE HN 5.50 (# 102:10 Preassigned 3.61, 4.81 A)
&rst
ixpk= 102, nxpk= 10, iat= -1,1007, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 605, 606, 607,
&end
#
# 39 ALA HN 68 ILE HN 6.00 (# 103:10 Preassigned 3.83, 4.24 A)
&rst
ixpk= 103, nxpk= 10, iat= 601,1007, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 68 ILE HB 68 ILE HN 4.00 (# 104:10 Preassigned 2.35, 2.49 A)
&rst
ixpk= 104, nxpk= 10, iat=1011,1007, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 32 VAL MGX 5 ILE HN 5.50 (# 105:10 Preassigned 3.69, 5.40 A)
&rst
ixpk= 105, nxpk= 10, iat= -1, 69, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 522, 523, 524, 526, 527, 528,
&end
#
# 0 AMB 10-2:106 5 ILE HN 5.50 (# 106:10 Single Ambig )
&rst
ixpk= 106, nxpk= 10, iat= -1, 69, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 532, 41,
&end
#
# 32 VAL HN 5 ILE HN 6.00 (# 107:10 Preassigned 4.50, 4.78 A)
&rst
ixpk= 107, nxpk= 10, iat= 516, 69, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:108 5 ILE HN 5.50 (# 108:10 Single Ambig )
&rst
ixpk= 108, nxpk= 10, iat= -1, 69, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 494, 88,
&end
#
# 76 TYR HD 5 ILE HN 5.50 (# 109:10 Preassigned 2.95, 5.83 A)
&rst
ixpk= 109, nxpk= 10, iat= -1, 69, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1161,1170,
&end
#
# 0 AMB 10-2:110 5 ILE HN 5.50 (# 110:10 Single Ambig )
&rst
ixpk= 110, nxpk= 10, iat= -1, 69, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 64, 65,1163,1168,
&end
#
# 4 ASN HA 5 ILE HN 2.80 (# 111:10 Preassigned 2.10, 2.24 A)
&rst
ixpk= 111, nxpk= 10, iat= 57, 69, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 32 VAL HA 5 ILE HN 4.00 (# 112:10 Preassigned 2.51, 2.95 A)
&rst
ixpk= 112, nxpk= 10, iat= 518, 69, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 5 ILE HA 5 ILE HN 4.00 (# 113:10 Preassigned 2.93, 2.96 A)
&rst
ixpk= 113, nxpk= 10, iat= 71, 69, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 0 AMB 10-2:114 5 ILE HN 5.50 (# 114:10 Single Ambig )
&rst
ixpk= 114, nxpk= 10, iat= -1, 69, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 90,1155,
&end
#
# 4 ASN HB+ 5 ILE HN 5.50 (# 116:10 Preassigned 2.53, 3.81 A)
&rst
ixpk= 116, nxpk= 10, iat= -1, 69, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 59, 60,
&end
#
# 31 LYS HB- 5 ILE HN 5.50 (# 117:10 Preassigned 2.86, 4.46 A)
&rst
ixpk= 117, nxpk= 10, iat= -1, 69, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 498, 499,
&end
#
# 5 ILE HB 5 ILE HN 2.80 (# 118:10 Preassigned 2.28, 2.42 A)
&rst
ixpk= 118, nxpk= 10, iat= 73, 69, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:119 5 ILE HN 5.50 (# 119:10 Single Ambig )
&rst
ixpk= 119, nxpk= 10, iat= -1, 69, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 501, 502, 79, 80,
&end
#
# 32 VAL MGY 5 ILE HN 5.50 (# 121:10 Preassigned 3.69, 5.40 A)
&rst
ixpk= 121, nxpk= 10, iat= -1, 69, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 522, 523, 524, 526, 527, 528,
&end
#
# 5 ILE QD1 5 ILE HN 5.50 (# 122:10 Preassigned 2.27, 4.25 A)
&rst
ixpk= 122, nxpk= 10, iat= -1, 69, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 82, 83, 84,
&end
#
# 5 ILE QG2 5 ILE HN 5.50 (# 123:10 Preassigned 4.26, 4.58 A)
&rst
ixpk= 123, nxpk= 10, iat= -1, 69, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 75, 76, 77,
&end
#
# 36 GLY HN 68 ILE HN 5.50 (# 124:10 Preassigned 3.03, 3.50 A)
&rst
ixpk= 124, nxpk= 10, iat= 568,1007, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 67 GLN HE2- 68 ILE HN 5.50 (# 125:10 Preassigned 2.83, 4.30 A)
&rst
ixpk= 125, nxpk= 10, iat= -1,1007, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1002,1003,
&end
#
# 67 GLN HA 68 ILE HN 4.00 (# 126:10 Preassigned 2.16, 2.23 A)
&rst
ixpk= 126, nxpk= 10, iat= 992,1007, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 67 GLN HG+ 68 ILE HN 5.50 (# 127:10 Preassigned 2.33, 3.64 A)
&rst
ixpk= 127, nxpk= 10, iat= -1,1007, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 997, 998,
&end
#
# 68 ILE HG1+ 68 ILE HN 5.50 (# 128:10 Preassigned 4.32, 4.53 A)
&rst
ixpk= 128, nxpk= 10, iat= -1,1007, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1017,1018,
&end
#
# 68 ILE QG2 68 ILE HN 2.80 (# 129:10 Preassigned 1.99, 3.03 A)
&rst
ixpk= 129, nxpk= 10, iat= -1,1007, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1013,1014,1015,
&end
#
# 65 ALA HN 64 CYS HN 5.50 (# 130:10 Preassigned 3.83, 4.16 A)
&rst
ixpk= 130, nxpk= 10, iat= 956, 945, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 63 HIS HD1 64 CYS HN 5.50 (# 131:10 Preassigned 2.82, 4.30 A)
&rst
ixpk= 131, nxpk= 10, iat= 936, 945, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 63 HIS HD2 64 CYS HN 7.00 (# 132:10 Preassigned 2.60, 3.16 A)
&rst
ixpk= 132, nxpk= 10, iat= 941, 945, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 44 GLY HA+ 64 CYS HN 5.50 (# 134:10 Preassigned 4.29, 5.62 A)
&rst
ixpk= 134, nxpk= 10, iat= -1, 945, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 677, 678,
&end
#
# 63 HIS HA 64 CYS HN 2.80 (# 136:10 Preassigned 2.36, 2.47 A)
&rst
ixpk= 136, nxpk= 10, iat= 930, 945, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 63 HIS HB+ 64 CYS HN 5.50 (# 137:10 Preassigned 3.61, 4.09 A)
&rst
ixpk= 137, nxpk= 10, iat= -1, 945, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 932, 933,
&end
#
# 63 HIS HB- 64 CYS HN 5.50 (# 138:10 Preassigned 3.61, 4.09 A)
&rst
ixpk= 138, nxpk= 10, iat= -1, 945, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 932, 933,
&end
#
# 64 CYS HB+ 64 CYS HN 4.00 (# 139:10 Preassigned 2.75, 3.33 A)
&rst
ixpk= 139, nxpk= 10, iat= -1, 945, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 949, 950,
&end
#
# 64 CYS HB- 64 CYS HN 4.00 (# 140:10 Preassigned 2.75, 3.33 A)
&rst
ixpk= 140, nxpk= 10, iat= -1, 945, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 949, 950,
&end
#
# 64 CYS HA 64 CYS HN 4.00 (# 141:10 Preassigned 2.92, 2.95 A)
&rst
ixpk= 141, nxpk= 10, iat= 947, 945, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 65 ALA MB 64 CYS HN 6.00 (# 142:10 Preassigned 5.51, 6.36 A)
&rst
ixpk= 142, nxpk= 10, iat= -1, 945, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1= 960, 961, 962,
&end
#
# 83 GLU HN 84 LYS HN 5.50 (# 143:10 Preassigned 4.29, 4.39 A)
&rst
ixpk= 143, nxpk= 10, iat=1274,1289, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:144 32 VAL HN 5.50 (# 144:10 Single Ambig )
&rst
ixpk= 144, nxpk= 10, iat= -1, 516, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 374, 375, 374, 375,
&end
#
# 32 VAL MGY 32 VAL HN 2.80 (# 145:10 Preassigned 2.58, 4.20 A)
&rst
ixpk= 145, nxpk= 10, iat= -1, 516, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 522, 523, 524, 526, 527, 528,
&end
#
# 85 ARG HN 84 LYS HN 5.50 (# 146:10 Preassigned 2.50, 2.75 A)
&rst
ixpk= 146, nxpk= 10, iat=1311,1289, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 86 HIS HN 84 LYS HN 5.50 (# 147:10 Preassigned 4.03, 4.25 A)
&rst
ixpk= 147, nxpk= 10, iat=1335,1289, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 83 GLU HA 84 LYS HN 5.50 (# 149:10 Preassigned 2.21, 2.27 A)
&rst
ixpk= 149, nxpk= 10, iat=1276,1289, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 112 GLU HA 84 LYS HN 5.50 (# 150:10 Preassigned 4.10, 4.64 A)
&rst
ixpk= 150, nxpk= 10, iat=1755,1289, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 84 LYS HA 84 LYS HN 4.00 (# 151:10 Preassigned 2.79, 2.85 A)
&rst
ixpk= 151, nxpk= 10, iat=1291,1289, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 112 GLU HG+ 84 LYS HN 5.50 (# 152:10 Preassigned 2.10, 4.41 A)
&rst
ixpk= 152, nxpk= 10, iat= -1,1289, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1760,1761,
&end
#
# 83 GLU HB+ 84 LYS HN 4.00 (# 153:10 Preassigned 2.61, 3.47 A)
&rst
ixpk= 153, nxpk= 10, iat= -1,1289, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1278,1279,
&end
#
# 0 AMB 10-2:154 84 LYS HN 5.50 (# 154:10 Single Ambig )
&rst
ixpk= 154, nxpk= 10, iat= -1,1289, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1760,1761,1757,1758,
&end
#
# 84 LYS HB+ 84 LYS HN 4.00 (# 155:10 Preassigned 2.39, 2.90 A)
&rst
ixpk= 155, nxpk= 10, iat= -1,1289, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1293,1294,
&end
#
# 0 AMB 10-2:156 84 LYS HN 5.50 (# 156:10 Single Ambig )
&rst
ixpk= 156, nxpk= 10, iat= -1,1289, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1293,1294,1281,1282,
&end
#
# 84 LYS HD- 84 LYS HN 5.50 (# 157:10 Preassigned 1.83, 4.62 A)
&rst
ixpk= 157, nxpk= 10, iat= -1,1289, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1299,1300,
&end
#
# 85 ARG HG- 84 LYS HN 5.50 (# 158:10 Preassigned 4.00, 5.07 A)
&rst
ixpk= 158, nxpk= 10, iat= -1,1289, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1318,1319,
&end
#
# 0 AMB 10-2:159 84 LYS HN 4.00 (# 159:10 Single Ambig )
&rst
ixpk= 159, nxpk= 10, iat= -1,1289, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=1296,1297,1296,1297,
&end
#
# 87 ILE QD1 84 LYS HN 7.00 (# 160:10 Preassigned 6.17, 7.00 A)
&rst
ixpk= 160, nxpk= 10, iat= -1,1289, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1=1365,1366,1367,
&end
#
# 103 LEU MDX 84 LYS HN 5.50 (# 161:10 Preassigned 2.94, 4.60 A)
&rst
ixpk= 161, nxpk= 10, iat= -1,1289, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1623,1624,1625,1627,1628,1629,
&end
#
# 103 LEU MDY 84 LYS HN 5.50 (# 162:10 Preassigned 2.94, 4.60 A)
&rst
ixpk= 162, nxpk= 10, iat= -1,1289, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1623,1624,1625,1627,1628,1629,
&end
#
# 83 GLU HB- 84 LYS HN 5.50 (# 163:10 Preassigned 2.61, 3.47 A)
&rst
ixpk= 163, nxpk= 10, iat= -1,1289, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1278,1279,
&end
#
# 35 ALA HN 7 VAL HN 5.50 (# 165:10 Preassigned 3.94, 4.20 A)
&rst
ixpk= 165, nxpk= 10, iat= 558, 107, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:166 7 VAL HN 5.50 (# 166:10 Single Ambig )
&rst
ixpk= 166, nxpk= 10, iat= -1, 107, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 551, 552, 551, 552,
&end
#
# 6 LEU HB- 7 VAL HN 5.50 (# 167:10 Preassigned 3.38, 4.02 A)
&rst
ixpk= 167, nxpk= 10, iat= -1, 107, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 92, 93,
&end
#
# 6 LEU MDX 7 VAL HN 5.50 (# 168:10 Preassigned 2.08, 4.18 A)
&rst
ixpk= 168, nxpk= 10, iat= -1, 107, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 97, 98, 99, 101, 102, 103,
&end
#
# 33 GLU HN 7 VAL HN 5.50 (# 169:10 Preassigned 3.69, 3.84 A)
&rst
ixpk= 169, nxpk= 10, iat= 532, 107, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 6 LEU HN 7 VAL HN 5.50 (# 170:10 Preassigned 4.35, 4.43 A)
&rst
ixpk= 170, nxpk= 10, iat= 88, 107, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 34 SER HA 7 VAL HN 5.50 (# 171:10 Preassigned 1.89, 2.24 A)
&rst
ixpk= 171, nxpk= 10, iat= 549, 107, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 6 LEU HA 7 VAL HN 2.80 (# 172:10 Preassigned 2.26, 2.38 A)
&rst
ixpk= 172, nxpk= 10, iat= 90, 107, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 7 VAL HB 7 VAL HN 5.50 (# 173:10 Preassigned 2.54, 2.77 A)
&rst
ixpk= 173, nxpk= 10, iat= 111, 107, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 32 VAL MGX 7 VAL HN 5.50 (# 174:10 Preassigned 3.90, 6.56 A)
&rst
ixpk= 174, nxpk= 10, iat= -1, 107, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 522, 523, 524, 526, 527, 528,
&end
#
# 6 LEU HG 7 VAL HN 5.50 (# 175:10 Preassigned 2.28, 2.59 A)
&rst
ixpk= 175, nxpk= 10, iat= 95, 107, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 32 VAL MGY 7 VAL HN 6.00 (# 176:10 Preassigned 3.90, 6.56 A)
&rst
ixpk= 176, nxpk= 10, iat= -1, 107, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 522, 523, 524, 526, 527, 528,
&end
#
# 7 VAL MGY 7 VAL HN 4.00 (# 177:10 Preassigned 2.46, 4.21 A)
&rst
ixpk= 177, nxpk= 10, iat= -1, 107, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1= 113, 114, 115, 117, 118, 119,
&end
#
# 7 VAL MGX 7 VAL HN 5.50 (# 178:10 Preassigned 2.46, 4.21 A)
&rst
ixpk= 178, nxpk= 10, iat= -1, 107, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 113, 114, 115, 117, 118, 119,
&end
#
# 6 LEU MDY 7 VAL HN 4.00 (# 179:10 Preassigned 2.08, 4.18 A)
&rst
ixpk= 179, nxpk= 10, iat= -1, 107, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1= 97, 98, 99, 101, 102, 103,
&end
#
# 6 LEU HB+ 7 VAL HN 5.50 (# 180:10 Preassigned 3.38, 4.02 A)
&rst
ixpk= 180, nxpk= 10, iat= -1, 107, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 92, 93,
&end
#
# 31 LYS HB+ 32 VAL HN 5.50 (# 181:10 Unique 2.68, 3.97 A)
&rst
ixpk= 181, nxpk= 10, iat= -1, 516, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 498, 499,
&end
#
# 31 LYS HG+ 32 VAL HN 5.50 (# 182:10 Preassigned 2.40, 3.83 A)
&rst
ixpk= 182, nxpk= 10, iat= -1, 516, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 501, 502,
&end
#
# 33 GLU HN 32 VAL HN 5.50 (# 183:10 Preassigned 4.14, 4.27 A)
&rst
ixpk= 183, nxpk= 10, iat= 532, 516, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:184 32 VAL HN 5.50 (# 184:10 Single Ambig )
&rst
ixpk= 184, nxpk= 10, iat= -1, 516, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 379, 380, 379, 380,
&end
#
# 32 VAL HA 32 VAL HN 5.50 (# 185:10 Preassigned 2.88, 2.92 A)
&rst
ixpk= 185, nxpk= 10, iat= 518, 516, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 32 VAL HB 32 VAL HN 5.50 (# 188:10 Preassigned 2.87, 3.07 A)
&rst
ixpk= 188, nxpk= 10, iat= 520, 516, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:189 32 VAL HN 5.50 (# 189:10 Single Ambig )
&rst
ixpk= 189, nxpk= 10, iat= -1, 516, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 504, 505, 504, 505,
&end
#
# 7 VAL HA 7 VAL HN 5.50 (# 190:10 Preassigned 2.96, 2.97 A)
&rst
ixpk= 190, nxpk= 10, iat= 109, 107, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 83 GLU HA 112 GLU HN 5.50 (# 192:10 Preassigned 4.73, 5.27 A)
&rst
ixpk= 192, nxpk= 10, iat=1276,1753, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 111 CYS HA 112 GLU HN 2.80 (# 193:10 Preassigned 2.18, 2.32 A)
&rst
ixpk= 193, nxpk= 10, iat=1744,1753, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 112 GLU HG+ 112 GLU HN 4.00 (# 194:10 Preassigned 2.01, 3.13 A)
&rst
ixpk= 194, nxpk= 10, iat= -1,1753, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1760,1761,
&end
#
# 0 AMB 10-2:195 112 GLU HN 2.80 (# 195:10 Single Ambig )
&rst
ixpk= 195, nxpk= 10, iat= -1,1753, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1760,1761,1757,1758,
&end
#
# 103 LEU MDX 112 GLU HN 6.00 (# 196:10 Preassigned 2.96, 5.74 A)
&rst
ixpk= 196, nxpk= 10, iat= -1,1753, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1623,1624,1625,1627,1628,1629,
&end
#
# 103 LEU MDY 112 GLU HN 6.00 (# 197:10 Preassigned 2.96, 5.74 A)
&rst
ixpk= 197, nxpk= 10, iat= -1,1753, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1623,1624,1625,1627,1628,1629,
&end
#
# 113 ILE HN 112 GLU HN 5.50 (# 198:10 Preassigned 4.28, 4.61 A)
&rst
ixpk= 198, nxpk= 10, iat=1768,1753, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 111 CYS HN 112 GLU HN 5.50 (# 199:10 Preassigned 4.05, 4.51 A)
&rst
ixpk= 199, nxpk= 10, iat=1742,1753, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 105 GLY HA- 112 GLU HN 6.00 (# 200:10 Preassigned 3.93, 5.78 A)
&rst
ixpk= 200, nxpk= 10, iat= -1,1753, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1655,1656,
&end
#
# 111 CYS HB- 112 GLU HN 5.50 (# 201:10 Preassigned 1.95, 3.69 A)
&rst
ixpk= 201, nxpk= 10, iat= -1,1753, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1746,1747,
&end
#
# 111 CYS HB+ 112 GLU HN 5.50 (# 202:10 Preassigned 1.95, 3.69 A)
&rst
ixpk= 202, nxpk= 10, iat= -1,1753, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1746,1747,
&end
#
# 112 GLU HB+ 112 GLU HN 4.00 (# 203:10 Preassigned 2.16, 3.12 A)
&rst
ixpk= 203, nxpk= 10, iat= -1,1753, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1757,1758,
&end
#
# 0 AMB 10-2:205 49 ALA HN 5.50 (# 205:10 Single Ambig )
&rst
ixpk= 205, nxpk= 10, iat= -1, 732, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 896, 897, 898, 900, 901, 902, 896, 897, 898, 900,
901, 902,
&end
#
# 0 AMB 10-2:207 147 VAL HN 4.00 (# 207:10 Single Ambig )
&rst
ixpk= 207, nxpk= 10, iat= -1,2324, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1=2311,2312,2328,
&end
#
# 0 AMB 10-2:208 147 VAL HN 5.50 (# 208:10 Single Ambig )
&rst
ixpk= 208, nxpk= 10, iat= -1,2324, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2330,2331,2332,2334,2335,2336,2330,2331,2332,2334,
2335,2336,
&end
#
# 48 THR HN 49 ALA HN 2.80 (# 209:10 Preassigned 2.23, 2.36 A)
&rst
ixpk= 209, nxpk= 10, iat= 718, 732, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 50 ILE HN 49 ALA HN 4.00 (# 210:10 Preassigned 2.52, 2.59 A)
&rst
ixpk= 210, nxpk= 10, iat= 742, 732, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 0 AMB 10-2:211 49 ALA HN 5.50 (# 211:10 Single Ambig )
&rst
ixpk= 211, nxpk= 10, iat= -1, 732, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 692, 772,
&end
#
# 49 ALA HA 49 ALA HN 4.00 (# 213:10 Preassigned 2.87, 2.89 A)
&rst
ixpk= 213, nxpk= 10, iat= 734, 732, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 0 AMB 10-2:214 49 ALA HN 5.50 (# 214:10 Single Ambig )
&rst
ixpk= 214, nxpk= 10, iat= -1, 732, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 720, 705, 706,
&end
#
# 48 THR HB 49 ALA HN 5.50 (# 215:10 Preassigned 2.69, 2.80 A)
&rst
ixpk= 215, nxpk= 10, iat= 722, 732, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 46 ASP HB- 49 ALA HN 4.00 (# 216:10 Preassigned 2.38, 3.51 A)
&rst
ixpk= 216, nxpk= 10, iat= -1, 732, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 696, 697,
&end
#
# 47 PRO HB+ 49 ALA HN 6.00 (# 217:10 Preassigned 5.04, 5.64 A)
&rst
ixpk= 217, nxpk= 10, iat= -1, 732, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 711, 712,
&end
#
# 47 PRO HG- 49 ALA HN 6.00 (# 218:10 Preassigned 4.90, 6.42 A)
&rst
ixpk= 218, nxpk= 10, iat= -1, 732, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 708, 709,
&end
#
# 47 PRO HB- 49 ALA HN 5.50 (# 219:10 Preassigned 5.04, 5.64 A)
&rst
ixpk= 219, nxpk= 10, iat= -1, 732, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 711, 712,
&end
#
# 50 ILE HB 49 ALA HN 5.50 (# 220:10 Preassigned 4.51, 4.72 A)
&rst
ixpk= 220, nxpk= 10, iat= 746, 732, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 49 ALA MB 49 ALA HN 4.00 (# 221:10 Preassigned 2.44, 2.91 A)
&rst
ixpk= 221, nxpk= 10, iat= -1, 732, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1= 736, 737, 738,
&end
#
# 52 VAL MGX 49 ALA HN 6.00 (# 222:10 Preassigned 4.54, 6.73 A)
&rst
ixpk= 222, nxpk= 10, iat= -1, 732, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 778, 779, 780, 782, 783, 784,
&end
#
# 50 ILE HG1- 49 ALA HN 7.00 (# 223:10 Preassigned 4.18, 5.20 A)
&rst
ixpk= 223, nxpk= 10, iat= -1, 732, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 752, 753,
&end
#
# 48 THR MG2 49 ALA HN 5.50 (# 224:10 Preassigned 4.17, 4.90 A)
&rst
ixpk= 224, nxpk= 10, iat= -1, 732, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 724, 725, 726,
&end
#
# 50 ILE HA 49 ALA HN 6.00 (# 225:10 Preassigned 5.16, 5.22 A)
&rst
ixpk= 225, nxpk= 10, iat= 744, 732, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 69 SER HB- 67 GLN HN 6.00 (# 226:10 Preassigned 5.94, 7.50 A)
&rst
ixpk= 226, nxpk= 10, iat= -1, 990, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1030,1031,
&end
#
# 0 AMB 10-2:227 67 GLN HN 7.00 (# 227:10 Single Ambig )
&rst
ixpk= 227, nxpk= 10, iat= -1, 990, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 960, 961, 962,1011,
&end
#
# 79 ILE HA 79 ILE HN 5.50 (# 228:10 Preassigned 2.96, 2.98 A)
&rst
ixpk= 228, nxpk= 10, iat=1207,1205, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 78 LEU HA 79 ILE HN 4.00 (# 229:10 Preassigned 2.22, 2.27 A)
&rst
ixpk= 229, nxpk= 10, iat=1188,1205, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 100 LYS HB+ 79 ILE HN 5.50 (# 230:10 Preassigned 3.09, 4.06 A)
&rst
ixpk= 230, nxpk= 10, iat= -1,1205, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1563,1564,
&end
#
# 97 MET ME 79 ILE HN 5.50 (# 231:10 Preassigned 4.19, 5.59 A)
&rst
ixpk= 231, nxpk= 10, iat= -1,1205, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1522,1523,1524,
&end
#
# 79 ILE HG1+ 79 ILE HN 5.50 (# 232:10 Preassigned 2.53, 3.79 A)
&rst
ixpk= 232, nxpk= 10, iat= -1,1205, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1215,1216,
&end
#
# 78 LEU HB+ 79 ILE HN 5.50 (# 233:10 Preassigned 3.53, 4.27 A)
&rst
ixpk= 233, nxpk= 10, iat= -1,1205, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1190,1191,
&end
#
# 78 LEU HB- 79 ILE HN 5.50 (# 234:10 Preassigned 3.53, 4.27 A)
&rst
ixpk= 234, nxpk= 10, iat= -1,1205, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1190,1191,
&end
#
# 79 ILE HG1- 79 ILE HN 5.50 (# 235:10 Preassigned 2.53, 3.79 A)
&rst
ixpk= 235, nxpk= 10, iat= -1,1205, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1215,1216,
&end
#
# 0 AMB 10-2:236 79 ILE HN 4.00 (# 236:10 Single Ambig )
&rst
ixpk= 236, nxpk= 10, iat= -1,1205, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
igr1=1218,1219,1220,1587,1588,1589,1591,1592,1593,
&end
#
# 79 ILE QG2 79 ILE HN 5.50 (# 237:10 Preassigned 4.18, 4.67 A)
&rst
ixpk= 237, nxpk= 10, iat= -1,1205, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1211,1212,1213,
&end
#
# 78 LEU MDY 79 ILE HN 4.00 (# 238:10 Preassigned 2.06, 4.37 A)
&rst
ixpk= 238, nxpk= 10, iat= -1,1205, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1=1195,1196,1197,1199,1200,1201,
&end
#
# 80 LEU MDY 79 ILE HN 5.50 (# 240:10 Preassigned 3.55, 5.55 A)
&rst
ixpk= 240, nxpk= 10, iat= -1,1205, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1233,1234,1235,1237,1238,1239,
&end
#
# 101 VAL HA 79 ILE HN 5.50 (# 241:10 Preassigned 2.88, 3.19 A)
&rst
ixpk= 241, nxpk= 10, iat=1583,1205, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 79 ILE HB 79 ILE HN 4.00 (# 242:10 Preassigned 2.37, 2.65 A)
&rst
ixpk= 242, nxpk= 10, iat=1209,1205, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 146 GLN HN 147 VAL HN 5.50 (# 244:10 Preassigned 2.64, 4.23 A)
&rst
ixpk= 244, nxpk= 10, iat=2307,2324, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 146 GLN HA 147 VAL HN 4.00 (# 245:10 Preassigned 2.26, 2.40 A)
&rst
ixpk= 245, nxpk= 10, iat=2309,2324, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 146 GLN HB- 147 VAL HN 5.50 (# 246:10 Unique 1.97, 3.32 A)
&rst
ixpk= 246, nxpk= 10, iat= -1,2324, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2311,2312,
&end
#
# 68 ILE HN 67 GLN HN 5.50 (# 268:10 Preassigned 4.50, 4.58 A)
&rst
ixpk= 268, nxpk= 10, iat=1007, 990, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:269 67 GLN HN 5.50 (# 269:10 Single Ambig )
&rst
ixpk= 269, nxpk= 10, iat= -1, 990, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 630, 979,
&end
#
# 66 ARG HA 67 GLN HN 2.80 (# 270:10 Preassigned 2.22, 2.29 A)
&rst
ixpk= 270, nxpk= 10, iat= 968, 990, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 67 GLN HA 67 GLN HN 4.00 (# 271:10 Preassigned 2.87, 2.92 A)
&rst
ixpk= 271, nxpk= 10, iat= 992, 990, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 41 VAL HA 67 GLN HN 6.00 (# 272:10 Preassigned 3.99, 4.66 A)
&rst
ixpk= 272, nxpk= 10, iat= 632, 990, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 67 GLN HG- 67 GLN HN 5.50 (# 273:10 Preassigned 2.75, 4.36 A)
&rst
ixpk= 273, nxpk= 10, iat= -1, 990, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 997, 998,
&end
#
# 67 GLN HG+ 67 GLN HN 5.50 (# 274:10 Preassigned 2.75, 4.36 A)
&rst
ixpk= 274, nxpk= 10, iat= -1, 990, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 997, 998,
&end
#
# 67 GLN HB+ 67 GLN HN 4.00 (# 275:10 Preassigned 2.23, 2.58 A)
&rst
ixpk= 275, nxpk= 10, iat= -1, 990, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 994, 995,
&end
#
# 66 ARG HB+ 67 GLN HN 4.00 (# 276:10 Preassigned 2.73, 3.60 A)
&rst
ixpk= 276, nxpk= 10, iat= -1, 990, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 970, 971,
&end
#
# 66 ARG HB- 67 GLN HN 5.50 (# 277:10 Preassigned 2.73, 3.60 A)
&rst
ixpk= 277, nxpk= 10, iat= -1, 990, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 970, 971,
&end
#
# 66 ARG HN 67 GLN HN 5.50 (# 279:10 Preassigned 4.11, 4.21 A)
&rst
ixpk= 279, nxpk= 10, iat= 966, 990, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 66 ARG HG- 67 GLN HN 5.50 (# 280:10 Preassigned 3.52, 4.59 A)
&rst
ixpk= 280, nxpk= 10, iat= -1, 990, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 973, 974,
&end
#
# 0 AMB 10-2:281 79 ILE HN 4.00 (# 281:10 Single Ambig )
&rst
ixpk= 281, nxpk= 10, iat= -1,1205, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1224,1597,
&end
#
# 78 LEU HN 79 ILE HN 5.50 (# 282:10 Preassigned 3.94, 4.13 A)
&rst
ixpk= 282, nxpk= 10, iat=1186,1205, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 78 LEU MDX 79 ILE HN 5.50 (# 284:10 Preassigned 2.06, 4.37 A)
&rst
ixpk= 284, nxpk= 10, iat= -1,1205, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1195,1196,1197,1199,1200,1201,
&end
#
# 136 ARG HN 135 ALA HN 4.00 (# 289:10 Preassigned 2.64, 2.72 A)
&rst
ixpk= 289, nxpk= 10, iat=2147,2137, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 134 SER HN 135 ALA HN 2.80 (# 290:10 Preassigned 2.86, 2.91 A)
&rst
ixpk= 290, nxpk= 10, iat=2126,2137, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 133 ARG HN 135 ALA HN 5.50 (# 291:10 Preassigned 3.97, 4.16 A)
&rst
ixpk= 291, nxpk= 10, iat=2102,2137, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 137 GLN HN 135 ALA HN 5.50 (# 292:10 Preassigned 3.71, 3.83 A)
&rst
ixpk= 292, nxpk= 10, iat=2171,2137, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 104 PHE HE 135 ALA HN 4.00 (# 293:10 Preassigned 3.18, 5.41 A)
&rst
ixpk= 293, nxpk= 10, iat= -1,2137, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1643,1647,
&end
#
# 134 SER HA 135 ALA HN 5.50 (# 295:10 Preassigned 3.56, 3.60 A)
&rst
ixpk= 295, nxpk= 10, iat=2128,2137, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:296 135 ALA HN 4.00 (# 296:10 Single Ambig )
&rst
ixpk= 296, nxpk= 10, iat= -1,2137, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=2139,2070,
&end
#
# 133 ARG HA 135 ALA HN 5.50 (# 297:10 Preassigned 4.42, 4.55 A)
&rst
ixpk= 297, nxpk= 10, iat=2104,2137, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 134 SER HB- 135 ALA HN 5.50 (# 298:10 Preassigned 2.66, 3.39 A)
&rst
ixpk= 298, nxpk= 10, iat= -1,2137, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2130,2131,
&end
#
# 134 SER HB+ 135 ALA HN 5.50 (# 299:10 Preassigned 2.66, 3.39 A)
&rst
ixpk= 299, nxpk= 10, iat= -1,2137, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2130,2131,
&end
#
# 136 ARG HA 135 ALA HN 7.00 (# 300:10 Preassigned 5.30, 5.34 A)
&rst
ixpk= 300, nxpk= 10, iat=2149,2137, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 0 AMB 10-2:302 135 ALA HN 5.50 (# 302:10 Single Ambig )
&rst
ixpk= 302, nxpk= 10, iat= -1,2137, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2072,2073,2151,2152,
&end
#
# 135 ALA MB 135 ALA HN 4.00 (# 303:10 Preassigned 2.44, 2.95 A)
&rst
ixpk= 303, nxpk= 10, iat= -1,2137, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1=2141,2142,2143,
&end
#
# 0 AMB 10-2:304 135 ALA HN 7.00 (# 304:10 Single Ambig )
&rst
ixpk= 304, nxpk= 10, iat= -1,2137, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=2154,2155, 333, 334,
&end
#
# 22 LEU MDX 135 ALA HN 5.50 (# 305:10 Preassigned 4.12, 6.35 A)
&rst
ixpk= 305, nxpk= 10, iat= -1,2137, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 338, 339, 340, 342, 343, 344,
&end
#
# 131 LEU MDY 135 ALA HN 5.50 (# 306:10 Preassigned 4.29, 6.76 A)
&rst
ixpk= 306, nxpk= 10, iat= -1,2137, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2077,2078,2079,2081,2082,2083,
&end
#
# 22 LEU MDY 135 ALA HN 6.00 (# 307:10 Preassigned 4.12, 6.35 A)
&rst
ixpk= 307, nxpk= 10, iat= -1,2137, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 338, 339, 340, 342, 343, 344,
&end
#
# 0 AMB 10-2:308 8 VAL HN 5.50 (# 308:10 Single Ambig )
&rst
ixpk= 308, nxpk= 10, iat= -1, 123, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1257, 88,
&end
#
# 16 SER HA 8 VAL HN 6.00 (# 310:10 Preassigned 4.98, 5.57 A)
&rst
ixpk= 310, nxpk= 10, iat= 243, 123, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 8 VAL HB 8 VAL HN 4.00 (# 311:10 Preassigned 2.62, 2.82 A)
&rst
ixpk= 311, nxpk= 10, iat= 127, 123, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 0 AMB 10-2:312 8 VAL HN 5.50 (# 312:10 Single Ambig )
&rst
ixpk= 312, nxpk= 10, iat= -1, 123, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=1268,1269,1270, 92, 93,
&end
#
# 81 THR HA 8 VAL HN 4.00 (# 313:10 Preassigned 2.91, 3.10 A)
&rst
ixpk= 313, nxpk= 10, iat=1245, 123, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 8 VAL HA 8 VAL HN 5.50 (# 314:10 Preassigned 2.96, 2.97 A)
&rst
ixpk= 314, nxpk= 10, iat= 125, 123, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 81 THR HB 8 VAL HN 5.50 (# 315:10 Preassigned 3.36, 3.89 A)
&rst
ixpk= 315, nxpk= 10, iat=1247, 123, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 8 VAL MGX 8 VAL HN 5.50 (# 317:10 Preassigned 2.50, 4.16 A)
&rst
ixpk= 317, nxpk= 10, iat= -1, 123, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 129, 130, 131, 133, 134, 135,
&end
#
# 7 VAL MGX 8 VAL HN 4.00 (# 318:10 Preassigned 2.53, 4.24 A)
&rst
ixpk= 318, nxpk= 10, iat= -1, 123, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1= 113, 114, 115, 117, 118, 119,
&end
#
# 7 VAL HA 8 VAL HN 4.00 (# 319:10 Preassigned 2.14, 2.21 A)
&rst
ixpk= 319, nxpk= 10, iat= 109, 123, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 32 VAL HN 33 GLU HN 5.50 (# 320:10 Preassigned 4.14, 4.27 A)
&rst
ixpk= 320, nxpk= 10, iat= 516, 532, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 70 ARG HB+ 70 ARG HN 5.50 (# 323:10 Unique 2.17, 2.59 A)
&rst
ixpk= 323, nxpk= 10, iat= -1,1037, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1041,1042,
&end
#
# 69 SER HB- 70 ARG HN 6.00 (# 324:10 Preassigned 2.49, 3.22 A)
&rst
ixpk= 324, nxpk= 10, iat= -1,1037, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1030,1031,
&end
#
# 70 ARG HA 70 ARG HN 7.00 (# 325:10 Preassigned 2.73, 2.82 A)
&rst
ixpk= 325, nxpk= 10, iat=1039,1037, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 103 LEU HN 102 MET HN 5.50 (# 326:10 Preassigned 4.03, 4.42 A)
&rst
ixpk= 326, nxpk= 10, iat=1614,1597, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 101 VAL HN 102 MET HN 5.50 (# 327:10 Preassigned 4.17, 4.46 A)
&rst
ixpk= 327, nxpk= 10, iat=1581,1597, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 80 LEU HA 102 MET HN 4.00 (# 328:10 Preassigned 2.47, 2.73 A)
&rst
ixpk= 328, nxpk= 10, iat=1226,1597, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 101 VAL HA 102 MET HN 2.80 (# 329:10 Preassigned 2.17, 2.24 A)
&rst
ixpk= 329, nxpk= 10, iat=1583,1597, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 102 MET HA 102 MET HN 4.00 (# 330:10 Preassigned 2.85, 2.96 A)
&rst
ixpk= 330, nxpk= 10, iat=1599,1597, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 0 AMB 10-2:331 102 MET HN 4.00 (# 331:10 Single Ambig )
&rst
ixpk= 331, nxpk= 10, iat= -1,1597, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=1604,1605,1601,1602,
&end
#
# 101 VAL HB 102 MET HN 5.50 (# 332:10 Preassigned 4.21, 4.33 A)
&rst
ixpk= 332, nxpk= 10, iat=1585,1597, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:333 102 MET HN 2.80 (# 333:10 Single Ambig )
&rst
ixpk= 333, nxpk= 10, iat= -1,1597, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1587,1588,1589,1591,1592,1593,1587,1588,1589,1591,
1592,1593,
&end
#
# 80 LEU MDY 80 LEU HN 5.50 (# 335:10 Preassigned 2.25, 4.18 A)
&rst
ixpk= 335, nxpk= 10, iat= -1,1224, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1233,1234,1235,1237,1238,1239,
&end
#
# 127 VAL HN 125 ALA HN 5.50 (# 336:10 Preassigned 4.21, 4.37 A)
&rst
ixpk= 336, nxpk= 10, iat=1998,1978, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 126 ALA HN 125 ALA HN 4.00 (# 337:10 Preassigned 2.69, 2.75 A)
&rst
ixpk= 337, nxpk= 10, iat=1988,1978, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 124 PHE HN 125 ALA HN 4.00 (# 338:10 Preassigned 2.67, 2.79 A)
&rst
ixpk= 338, nxpk= 10, iat=1958,1978, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 0 AMB 10-2:339 0 AMB 10-1:339 5.50 (# 339:10 Double Ambig )
&rst
ixpk= 339, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1643,1647,1966,1974,
igr2=1224,1978,
&end
#
# 125 ALA HA 125 ALA HN 4.00 (# 341:10 Preassigned 2.83, 2.85 A)
&rst
ixpk= 341, nxpk= 10, iat=1980,1978, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 122 GLU HA 125 ALA HN 4.00 (# 342:10 Unique 2.84, 3.26 A)
&rst
ixpk= 342, nxpk= 10, iat=1931,1978, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 121 ARG HA 125 ALA HN 5.50 (# 343:10 Preassigned 3.79, 3.99 A)
&rst
ixpk= 343, nxpk= 10, iat=1907,1978, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 124 PHE HA 125 ALA HN 5.50 (# 344:10 Preassigned 3.58, 3.62 A)
&rst
ixpk= 344, nxpk= 10, iat=1960,1978, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 124 PHE HB+ 125 ALA HN 4.00 (# 345:10 Preassigned 2.74, 3.19 A)
&rst
ixpk= 345, nxpk= 10, iat= -1,1978, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1962,1963,
&end
#
# 124 PHE HB- 125 ALA HN 5.50 (# 346:10 Preassigned 2.74, 3.19 A)
&rst
ixpk= 346, nxpk= 10, iat= -1,1978, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1962,1963,
&end
#
# 79 ILE HB 80 LEU HN 5.50 (# 347:10 Preassigned 4.25, 4.43 A)
&rst
ixpk= 347, nxpk= 10, iat=1209,1224, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:348 0 AMB 10-1:348 2.80 (# 348:10 Double Ambig )
&rst
ixpk= 348, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.11, r4= 4.86,
igr1=1982,1983,1984,1601,1602,
igr2=1978,1597,
&end
#
# 0 AMB 10-2:349 0 AMB 10-1:349 5.50 (# 349:10 Double Ambig )
&rst
ixpk= 349, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1215,1216,1215,1216,
igr2=1224,1597,
&end
#
# 121 ARG HG+ 125 ALA HN 6.00 (# 350:10 Preassigned 4.03, 5.69 A)
&rst
ixpk= 350, nxpk= 10, iat= -1,1978, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1912,1913,
&end
#
# 0 AMB 10-2:351 80 LEU HN 4.00 (# 351:10 Single Ambig )
&rst
ixpk= 351, nxpk= 10, iat= -1,1224, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1=1228,1229,1231,
&end
#
# 5 ILE HN 33 GLU HN 5.50 (# 353:10 Preassigned 3.83, 4.46 A)
&rst
ixpk= 353, nxpk= 10, iat= 69, 532, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 7 VAL HN 33 GLU HN 4.00 (# 354:10 Preassigned 3.69, 3.84 A)
&rst
ixpk= 354, nxpk= 10, iat= 107, 532, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 76 TYR HE 33 GLU HN 5.50 (# 355:10 Preassigned 3.52, 6.14 A)
&rst
ixpk= 355, nxpk= 10, iat= -1, 532, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1163,1168,
&end
#
# 33 GLU HG+ 33 GLU HN 5.50 (# 357:10 Preassigned 3.37, 4.45 A)
&rst
ixpk= 357, nxpk= 10, iat= -1, 532, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 539, 540,
&end
#
# 32 VAL MGX 33 GLU HN 5.50 (# 358:10 Preassigned 2.14, 4.15 A)
&rst
ixpk= 358, nxpk= 10, iat= -1, 532, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 522, 523, 524, 526, 527, 528,
&end
#
# 32 VAL MGY 33 GLU HN 5.50 (# 359:10 Preassigned 2.14, 4.15 A)
&rst
ixpk= 359, nxpk= 10, iat= -1, 532, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 522, 523, 524, 526, 527, 528,
&end
#
# 7 VAL MGY 33 GLU HN 5.50 (# 360:10 Preassigned 3.44, 6.32 A)
&rst
ixpk= 360, nxpk= 10, iat= -1, 532, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 113, 114, 115, 117, 118, 119,
&end
#
# 6 LEU MDY 33 GLU HN 5.50 (# 361:10 Preassigned 3.49, 5.86 A)
&rst
ixpk= 361, nxpk= 10, iat= -1, 532, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 97, 98, 99, 101, 102, 103,
&end
#
# 32 VAL HA 33 GLU HN 4.00 (# 362:10 Preassigned 2.21, 2.29 A)
&rst
ixpk= 362, nxpk= 10, iat= 518, 532, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 6 LEU HA 33 GLU HN 5.50 (# 363:10 Preassigned 2.43, 2.59 A)
&rst
ixpk= 363, nxpk= 10, iat= 90, 532, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:364 33 GLU HN 5.50 (# 364:10 Single Ambig )
&rst
ixpk= 364, nxpk= 10, iat= -1, 532, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 536, 537, 539, 540,
&end
#
# 32 VAL HB 33 GLU HN 5.50 (# 365:10 Preassigned 3.55, 3.89 A)
&rst
ixpk= 365, nxpk= 10, iat= 520, 532, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 33 GLU HB- 33 GLU HN 5.50 (# 366:10 Preassigned 2.62, 3.11 A)
&rst
ixpk= 366, nxpk= 10, iat= -1, 532, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 536, 537,
&end
#
# 41 VAL HN 40 LEU HN 5.50 (# 367:10 Preassigned 2.81, 3.46 A)
&rst
ixpk= 367, nxpk= 10, iat= 630, 611, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:369 40 LEU HN 7.00 (# 369:10 Single Ambig )
&rst
ixpk= 369, nxpk= 10, iat= -1, 611, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1= 570, 571, 632,
&end
#
# 40 LEU HG 40 LEU HN 5.50 (# 370:10 Preassigned 2.43, 2.94 A)
&rst
ixpk= 370, nxpk= 10, iat= 618, 611, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 40 LEU HB+ 40 LEU HN 4.00 (# 371:10 Preassigned 2.33, 3.05 A)
&rst
ixpk= 371, nxpk= 10, iat= -1, 611, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 615, 616,
&end
#
# 40 LEU HB- 40 LEU HN 5.50 (# 372:10 Preassigned 2.33, 3.05 A)
&rst
ixpk= 372, nxpk= 10, iat= -1, 611, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 615, 616,
&end
#
# 65 ALA MB 40 LEU HN 5.50 (# 373:10 Preassigned 2.20, 3.52 A)
&rst
ixpk= 373, nxpk= 10, iat= -1, 611, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 960, 961, 962,
&end
#
# 39 ALA MB 40 LEU HN 5.50 (# 374:10 Preassigned 2.68, 3.63 A)
&rst
ixpk= 374, nxpk= 10, iat= -1, 611, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 605, 606, 607,
&end
#
# 0 AMB 10-2:375 40 LEU HN 5.50 (# 375:10 Single Ambig )
&rst
ixpk= 375, nxpk= 10, iat= -1, 611, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 620, 621, 622, 624, 625, 626, 620, 621, 622, 624,
625, 626,
&end
#
# 40 LEU HA 40 LEU HN 5.50 (# 376:10 Preassigned 2.28, 2.92 A)
&rst
ixpk= 376, nxpk= 10, iat= 613, 611, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 39 ALA HA 40 LEU HN 4.00 (# 377:10 Preassigned 2.15, 2.27 A)
&rst
ixpk= 377, nxpk= 10, iat= 603, 611, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 102 MET HG- 102 MET HN 5.50 (# 379:10 Preassigned 2.36, 3.63 A)
&rst
ixpk= 379, nxpk= 10, iat= -1,1597, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1604,1605,
&end
#
# 82 MET HG+ 113 ILE HN 5.50 (# 380:10 Preassigned 3.88, 5.21 A)
&rst
ixpk= 380, nxpk= 10, iat= -1,1768, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1264,1265,
&end
#
# 82 MET HG- 113 ILE HN 6.00 (# 381:10 Preassigned 3.88, 5.21 A)
&rst
ixpk= 381, nxpk= 10, iat= -1,1768, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1264,1265,
&end
#
# 113 ILE HB 113 ILE HN 5.50 (# 382:10 Preassigned 2.32, 2.42 A)
&rst
ixpk= 382, nxpk= 10, iat=1772,1768, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 103 LEU MDY 113 ILE HN 6.00 (# 383:10 Preassigned 3.68, 5.51 A)
&rst
ixpk= 383, nxpk= 10, iat= -1,1768, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1623,1624,1625,1627,1628,1629,
&end
#
# 112 GLU HB+ 113 ILE HN 5.50 (# 384:10 Preassigned 2.43, 3.52 A)
&rst
ixpk= 384, nxpk= 10, iat= -1,1768, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1757,1758,
&end
#
# 103 LEU MDX 113 ILE HN 6.00 (# 385:10 Preassigned 3.68, 5.51 A)
&rst
ixpk= 385, nxpk= 10, iat= -1,1768, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1623,1624,1625,1627,1628,1629,
&end
#
# 112 GLU HN 113 ILE HN 5.50 (# 389:10 Preassigned 4.28, 4.61 A)
&rst
ixpk= 389, nxpk= 10, iat=1753,1768, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 82 MET HA 113 ILE HN 5.50 (# 390:10 Preassigned 3.43, 3.70 A)
&rst
ixpk= 390, nxpk= 10, iat=1259,1768, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 112 GLU HA 113 ILE HN 2.80 (# 392:10 Preassigned 2.25, 2.31 A)
&rst
ixpk= 392, nxpk= 10, iat=1755,1768, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 114 PRO HD+ 113 ILE HN 6.00 (# 393:10 Preassigned 4.66, 5.00 A)
&rst
ixpk= 393, nxpk= 10, iat= -1,1768, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1788,1789,
&end
#
# 0 AMB 10-2:394 113 ILE HN 7.00 (# 394:10 Single Ambig )
&rst
ixpk= 394, nxpk= 10, iat= -1,1768, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1261,1262,1261,1262,
&end
#
# 0 AMB 10-2:395 113 ILE HN 5.50 (# 395:10 Single Ambig )
&rst
ixpk= 395, nxpk= 10, iat= -1,1768, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1281,1282,1621,
&end
#
# 113 ILE HG1- 113 ILE HN 5.50 (# 396:10 Preassigned 2.26, 2.93 A)
&rst
ixpk= 396, nxpk= 10, iat= -1,1768, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1778,1779,
&end
#
# 113 ILE QD1 113 ILE HN 5.50 (# 397:10 Preassigned 4.22, 4.74 A)
&rst
ixpk= 397, nxpk= 10, iat= -1,1768, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1781,1782,1783,
&end
#
# 5 ILE HN 31 LYS HN 5.50 (# 398:10 Preassigned 3.76, 4.43 A)
&rst
ixpk= 398, nxpk= 10, iat= 69, 494, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 4 ASN HA 31 LYS HN 5.50 (# 399:10 Preassigned 2.71, 3.79 A)
&rst
ixpk= 399, nxpk= 10, iat= 57, 494, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 30 LEU HA 31 LYS HN 4.00 (# 400:10 Preassigned 2.19, 2.34 A)
&rst
ixpk= 400, nxpk= 10, iat= 477, 494, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 31 LYS HB- 31 LYS HN 5.50 (# 403:10 Preassigned 2.17, 2.84 A)
&rst
ixpk= 403, nxpk= 10, iat= -1, 494, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 498, 499,
&end
#
# 30 LEU HB- 31 LYS HN 5.50 (# 405:10 Preassigned 2.05, 3.80 A)
&rst
ixpk= 405, nxpk= 10, iat= -1, 494, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 479, 480,
&end
#
# 0 AMB 10-2:406 31 LYS HN 4.00 (# 406:10 Single Ambig )
&rst
ixpk= 406, nxpk= 10, iat= -1, 494, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1= 479, 480, 501, 502,
&end
#
# 30 LEU MDY 31 LYS HN 4.00 (# 407:10 Preassigned 2.19, 4.84 A)
&rst
ixpk= 407, nxpk= 10, iat= -1, 494, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1= 484, 485, 486, 488, 489, 490,
&end
#
# 30 LEU MDX 31 LYS HN 5.50 (# 408:10 Unique 2.19, 4.84 A)
&rst
ixpk= 408, nxpk= 10, iat= -1, 494, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 484, 485, 486, 488, 489, 490,
&end
#
# 30 LEU HN 31 LYS HN 5.50 (# 409:10 Preassigned 3.87, 4.41 A)
&rst
ixpk= 409, nxpk= 10, iat= 475, 494, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 3 ASN HA 31 LYS HN 6.00 (# 410:10 Preassigned 3.56, 4.74 A)
&rst
ixpk= 410, nxpk= 10, iat= 43, 494, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:412 31 LYS HN 7.00 (# 412:10 Single Ambig )
&rst
ixpk= 412, nxpk= 10, iat= -1, 494, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 504, 505, 504, 505,
&end
#
# 125 ALA HN 126 ALA HN 4.00 (# 413:10 Preassigned 2.69, 2.75 A)
&rst
ixpk= 413, nxpk= 10, iat=1978,1988, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 128 TYR HN 126 ALA HN 5.50 (# 414:10 Preassigned 4.10, 4.15 A)
&rst
ixpk= 414, nxpk= 10, iat=2014,1988, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 127 VAL HN 126 ALA HN 4.00 (# 415:10 Preassigned 2.72, 2.81 A)
&rst
ixpk= 415, nxpk= 10, iat=1998,1988, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 124 PHE HA 126 ALA HN 5.50 (# 416:10 Preassigned 4.31, 4.54 A)
&rst
ixpk= 416, nxpk= 10, iat=1960,1988, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 127 VAL HB 126 ALA HN 5.50 (# 417:10 Preassigned 4.64, 5.32 A)
&rst
ixpk= 417, nxpk= 10, iat=2002,1988, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:418 126 ALA HN 2.80 (# 418:10 Single Ambig )
&rst
ixpk= 418, nxpk= 10, iat= -1,1988, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1992,1993,1994,1982,1983,1984,
&end
#
# 0 AMB 10-2:420 126 ALA HN 5.50 (# 420:10 Single Ambig )
&rst
ixpk= 420, nxpk= 10, iat= -1,1988, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2004,2005,2006,2008,2009,2010,2004,2005,2006,2008,
2009,2010,
&end
#
# 107 TRP HN 108 ASP HN 4.00 (# 421:10 Preassigned 2.35, 2.62 A)
&rst
ixpk= 421, nxpk= 10, iat=1677,1701, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 110 GLU HN 108 ASP HN 5.50 (# 422:10 Preassigned 2.64, 3.12 A)
&rst
ixpk= 422, nxpk= 10, iat=1727,1701, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 111 CYS HN 108 ASP HN 5.50 (# 423:10 Preassigned 3.69, 4.15 A)
&rst
ixpk= 423, nxpk= 10, iat=1742,1701, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 107 TRP HD1 108 ASP HN 7.00 (# 425:10 Preassigned 4.21, 5.18 A)
&rst
ixpk= 425, nxpk= 10, iat=1685,1701, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 105 GLY HA+ 108 ASP HN 5.50 (# 426:10 Preassigned 2.71, 3.64 A)
&rst
ixpk= 426, nxpk= 10, iat= -1,1701, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1655,1656,
&end
#
# 108 ASP HA 108 ASP HN 3.80 (# 427:10 Preassigned 2.85, 2.89 A)
&rst
ixpk= 427, nxpk= 10, iat=1703,1701, r1= 0.00, r2= 1.80, r3= 3.80, r4= 4.55, &end
#
# 109 ASN HA 108 ASP HN 6.00 (# 429:10 Preassigned 4.21, 4.61 A)
&rst
ixpk= 429, nxpk= 10, iat=1715,1701, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 107 TRP HA 108 ASP HN 5.50 (# 430:10 Preassigned 2.98, 3.26 A)
&rst
ixpk= 430, nxpk= 10, iat=1679,1701, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 106 HIS HA 108 ASP HN 6.00 (# 431:10 Preassigned 3.68, 4.02 A)
&rst
ixpk= 431, nxpk= 10, iat=1662,1701, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 106 HIS HB- 108 ASP HN 6.00 (# 432:10 Preassigned 4.65, 5.28 A)
&rst
ixpk= 432, nxpk= 10, iat= -1,1701, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1664,1665,
&end
#
# 110 GLU HA 108 ASP HN 5.50 (# 433:10 Preassigned 3.73, 4.41 A)
&rst
ixpk= 433, nxpk= 10, iat=1729,1701, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 111 CYS HB- 108 ASP HN 6.00 (# 434:10 Preassigned 4.78, 6.07 A)
&rst
ixpk= 434, nxpk= 10, iat= -1,1701, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1746,1747,
&end
#
# 107 TRP HB+ 108 ASP HN 5.50 (# 435:10 Preassigned 2.70, 3.96 A)
&rst
ixpk= 435, nxpk= 10, iat= -1,1701, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1681,1682,
&end
#
# 111 CYS HB+ 108 ASP HN 5.50 (# 436:10 Preassigned 4.78, 6.07 A)
&rst
ixpk= 436, nxpk= 10, iat= -1,1701, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1746,1747,
&end
#
# 108 ASP HB+ 108 ASP HN 2.80 (# 437:10 Preassigned 2.46, 2.90 A)
&rst
ixpk= 437, nxpk= 10, iat= -1,1701, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1705,1706,
&end
#
# 0 AMB 10-2:438 108 ASP HN 2.80 (# 438:10 Single Ambig )
&rst
ixpk= 438, nxpk= 10, iat= -1,1701, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1705,1706,1681,1682,
&end
#
# 106 HIS HB+ 108 ASP HN 5.50 (# 439:10 Preassigned 4.65, 5.28 A)
&rst
ixpk= 439, nxpk= 10, iat= -1,1701, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1664,1665,
&end
#
# 105 GLY HA- 108 ASP HN 5.50 (# 440:10 Preassigned 2.71, 3.64 A)
&rst
ixpk= 440, nxpk= 10, iat= -1,1701, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1655,1656,
&end
#
# 145 GLU HN 144 ALA HN 4.00 (# 442:10 Preassigned 2.25, 2.83 A)
&rst
ixpk= 442, nxpk= 10, iat=2292,2282, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 143 ASN HN 144 ALA HN 4.00 (# 443:10 Preassigned 2.47, 2.74 A)
&rst
ixpk= 443, nxpk= 10, iat=2268,2282, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 142 LEU HA 144 ALA HN 5.50 (# 445:10 Preassigned 3.39, 4.15 A)
&rst
ixpk= 445, nxpk= 10, iat=2251,2282, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 141 ALA HA 144 ALA HN 5.50 (# 446:10 Preassigned 3.30, 3.54 A)
&rst
ixpk= 446, nxpk= 10, iat=2241,2282, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 143 ASN HB+ 144 ALA HN 5.50 (# 447:10 Preassigned 2.31, 3.47 A)
&rst
ixpk= 447, nxpk= 10, iat= -1,2282, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2272,2273,
&end
#
# 143 ASN HB- 144 ALA HN 5.50 (# 448:10 Preassigned 2.31, 3.47 A)
&rst
ixpk= 448, nxpk= 10, iat= -1,2282, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2272,2273,
&end
#
# 144 ALA MB 144 ALA HN 4.00 (# 449:10 Preassigned 2.44, 3.10 A)
&rst
ixpk= 449, nxpk= 10, iat= -1,2282, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1=2286,2287,2288,
&end
#
# 139 ALA HN 141 ALA HN 5.50 (# 450:10 Preassigned 4.12, 4.23 A)
&rst
ixpk= 450, nxpk= 10, iat=2212,2239, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 140 GLN HG- 141 ALA HN 6.00 (# 451:10 Preassigned 2.64, 3.99 A)
&rst
ixpk= 451, nxpk= 10, iat= -1,2239, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=2229,2230,
&end
#
# 121 ARG HD+ 121 ARG HN 5.50 (# 452:10 Preassigned 2.98, 4.59 A)
&rst
ixpk= 452, nxpk= 10, iat= -1,1905, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1915,1916,
&end
#
# 122 GLU HN 121 ARG HN 5.50 (# 453:10 Preassigned 2.69, 2.87 A)
&rst
ixpk= 453, nxpk= 10, iat=1929,1905, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 120 SER HN 121 ARG HN 6.00 (# 454:10 Preassigned 4.57, 4.66 A)
&rst
ixpk= 454, nxpk= 10, iat=1894,1905, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 124 PHE HD 121 ARG HN 7.00 (# 455:10 Unique 4.50, 6.68 A)
&rst
ixpk= 455, nxpk= 10, iat= -1,1905, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1966,1974,
&end
#
# 0 AMB 10-2:457 121 ARG HN 2.80 (# 457:10 Single Ambig )
&rst
ixpk= 457, nxpk= 10, iat= -1,1905, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1896,1898,1899,
&end
#
# 120 SER HB+ 121 ARG HN 5.50 (# 458:10 Preassigned 2.53, 3.22 A)
&rst
ixpk= 458, nxpk= 10, iat= -1,1905, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1898,1899,
&end
#
# 121 ARG HA 121 ARG HN 5.50 (# 459:10 Preassigned 2.77, 2.82 A)
&rst
ixpk= 459, nxpk= 10, iat=1907,1905, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 121 ARG HB- 121 ARG HN 4.00 (# 460:10 Preassigned 2.34, 2.84 A)
&rst
ixpk= 460, nxpk= 10, iat= -1,1905, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1909,1910,
&end
#
# 121 ARG HB+ 121 ARG HN 4.00 (# 461:10 Preassigned 2.34, 2.84 A)
&rst
ixpk= 461, nxpk= 10, iat= -1,1905, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1909,1910,
&end
#
# 121 ARG HG+ 121 ARG HN 5.50 (# 462:10 Preassigned 2.13, 3.53 A)
&rst
ixpk= 462, nxpk= 10, iat= -1,1905, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1912,1913,
&end
#
# 48 THR MG2 121 ARG HN 5.50 (# 463:10 Preassigned 3.73, 4.42 A)
&rst
ixpk= 463, nxpk= 10, iat= -1,1905, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 724, 725, 726,
&end
#
# 139 ALA HA 141 ALA HN 5.50 (# 464:10 Preassigned 4.25, 4.42 A)
&rst
ixpk= 464, nxpk= 10, iat=2214,2239, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 140 GLN HG+ 141 ALA HN 5.50 (# 465:10 Preassigned 2.64, 3.99 A)
&rst
ixpk= 465, nxpk= 10, iat= -1,2239, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2229,2230,
&end
#
# 142 LEU HN 141 ALA HN 4.00 (# 466:10 Preassigned 2.61, 2.73 A)
&rst
ixpk= 466, nxpk= 10, iat=2249,2239, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 140 GLN HN 141 ALA HN 4.00 (# 467:10 Preassigned 2.50, 2.71 A)
&rst
ixpk= 467, nxpk= 10, iat=2222,2239, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 138 TRP HA 141 ALA HN 5.50 (# 468:10 Preassigned 2.96, 3.08 A)
&rst
ixpk= 468, nxpk= 10, iat=2190,2239, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 140 GLN HA 141 ALA HN 5.50 (# 469:10 Preassigned 3.56, 3.59 A)
&rst
ixpk= 469, nxpk= 10, iat=2224,2239, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 141 ALA HA 141 ALA HN 4.00 (# 470:10 Single Ambig )
&rst
ixpk= 470, nxpk= 10, iat=2241,2239, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 140 GLN HB- 141 ALA HN 4.00 (# 471:10 Preassigned 2.66, 3.64 A)
&rst
ixpk= 471, nxpk= 10, iat= -1,2239, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=2226,2227,
&end
#
# 0 AMB 10-2:472 141 ALA HN 5.50 (# 472:10 Single Ambig )
&rst
ixpk= 472, nxpk= 10, iat= -1,2239, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=2253,2254,2216,2217,2218,
&end
#
# 38 GLY HN 37 LEU HN 4.00 (# 473:10 Preassigned 1.92, 2.53 A)
&rst
ixpk= 473, nxpk= 10, iat= 594, 575, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 36 GLY HA- 37 LEU HN 4.00 (# 475:10 Preassigned 2.14, 2.51 A)
&rst
ixpk= 475, nxpk= 10, iat= -1, 575, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 570, 571,
&end
#
# 37 LEU HA 37 LEU HN 4.00 (# 476:10 Preassigned 2.82, 2.89 A)
&rst
ixpk= 476, nxpk= 10, iat= 577, 575, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 36 GLY HA+ 37 LEU HN 4.00 (# 478:10 Preassigned 2.14, 2.51 A)
&rst
ixpk= 478, nxpk= 10, iat= -1, 575, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 570, 571,
&end
#
# 37 LEU HB- 37 LEU HN 5.50 (# 480:10 Preassigned 2.14, 2.58 A)
&rst
ixpk= 480, nxpk= 10, iat= -1, 575, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 579, 580,
&end
#
# 37 LEU HB+ 37 LEU HN 2.80 (# 481:10 Preassigned 2.14, 2.58 A)
&rst
ixpk= 481, nxpk= 10, iat= -1, 575, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 579, 580,
&end
#
# 8 VAL MGX 37 LEU HN 4.00 (# 482:10 Preassigned 2.95, 5.38 A)
&rst
ixpk= 482, nxpk= 10, iat= -1, 575, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1= 129, 130, 131, 133, 134, 135,
&end
#
# 37 LEU MDX 37 LEU HN 5.50 (# 483:10 Preassigned 2.41, 4.91 A)
&rst
ixpk= 483, nxpk= 10, iat= -1, 575, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 584, 585, 586, 588, 589, 590,
&end
#
# 37 LEU MDY 37 LEU HN 5.50 (# 484:10 Preassigned 2.41, 4.91 A)
&rst
ixpk= 484, nxpk= 10, iat= -1, 575, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 584, 585, 586, 588, 589, 590,
&end
#
# 55 GLU HN 53 ALA HN 5.50 (# 485:10 Preassigned 3.68, 4.06 A)
&rst
ixpk= 485, nxpk= 10, iat= 808, 788, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 56 HIS HD2 53 ALA HN 7.00 (# 486:10 Preassigned 4.11, 5.52 A)
&rst
ixpk= 486, nxpk= 10, iat= 836, 788, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 127 VAL HN 128 TYR HN 5.50 (# 487:10 Preassigned 2.72, 2.79 A)
&rst
ixpk= 487, nxpk= 10, iat=1998,2014, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:488 128 TYR HN 5.50 (# 488:10 Single Ambig )
&rst
ixpk= 488, nxpk= 10, iat= -1,2014, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1980,1990,
&end
#
# 131 LEU MDX 128 TYR HN 7.00 (# 490:10 Preassigned 4.06, 5.89 A)
&rst
ixpk= 490, nxpk= 10, iat= -1,2014, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1=2077,2078,2079,2081,2082,2083,
&end
#
# 0 AMB 10-2:491 128 TYR HN 5.50 (# 491:10 Single Ambig )
&rst
ixpk= 491, nxpk= 10, iat= -1,2014, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1978,2087,
&end
#
# 0 AMB 10-2:492 128 TYR HN 4.00 (# 492:10 Single Ambig )
&rst
ixpk= 492, nxpk= 10, iat= -1,2014, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=2035,1988,
&end
#
# 128 TYR HD 128 TYR HN 5.50 (# 493:10 Preassigned 4.60, 4.75 A)
&rst
ixpk= 493, nxpk= 10, iat= -1,2014, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2022,2031,
&end
#
# 128 TYR HA 128 TYR HN 4.00 (# 494:10 Preassigned 2.78, 2.80 A)
&rst
ixpk= 494, nxpk= 10, iat=2016,2014, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 128 TYR HB+ 128 TYR HN 4.00 (# 495:10 Preassigned 2.29, 2.51 A)
&rst
ixpk= 495, nxpk= 10, iat= -1,2014, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=2018,2019,
&end
#
# 128 TYR HB- 128 TYR HN 4.00 (# 496:10 Preassigned 2.29, 2.51 A)
&rst
ixpk= 496, nxpk= 10, iat= -1,2014, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=2018,2019,
&end
#
# 127 VAL HB 128 TYR HN 4.00 (# 497:10 Preassigned 2.71, 3.19 A)
&rst
ixpk= 497, nxpk= 10, iat=2002,2014, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 127 VAL MGX 128 TYR HN 4.00 (# 498:10 Preassigned 2.59, 4.49 A)
&rst
ixpk= 498, nxpk= 10, iat= -1,2014, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1=2004,2005,2006,2008,2009,2010,
&end
#
# 54 ALA HN 53 ALA HN 4.00 (# 501:10 Preassigned 2.54, 2.68 A)
&rst
ixpk= 501, nxpk= 10, iat= 798, 788, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 52 VAL HN 53 ALA HN 4.00 (# 502:10 Preassigned 2.64, 2.72 A)
&rst
ixpk= 502, nxpk= 10, iat= 772, 788, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 0 AMB 10-2:504 53 ALA HN 5.50 (# 504:10 Single Ambig )
&rst
ixpk= 504, nxpk= 10, iat= -1, 788, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 734, 765, 766,
&end
#
# 53 ALA HA 53 ALA HN 4.00 (# 505:10 Preassigned 2.85, 2.87 A)
&rst
ixpk= 505, nxpk= 10, iat= 790, 788, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 52 VAL HA 53 ALA HN 5.50 (# 506:10 Preassigned 3.52, 3.61 A)
&rst
ixpk= 506, nxpk= 10, iat= 774, 788, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 50 ILE HA 53 ALA HN 5.50 (# 507:10 Preassigned 3.63, 3.82 A)
&rst
ixpk= 507, nxpk= 10, iat= 744, 788, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 52 VAL HB 53 ALA HN 4.00 (# 508:10 Preassigned 2.64, 3.32 A)
&rst
ixpk= 508, nxpk= 10, iat= 776, 788, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 53 ALA MB 53 ALA HN 2.80 (# 509:10 Preassigned 2.36, 2.87 A)
&rst
ixpk= 509, nxpk= 10, iat= -1, 788, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 792, 793, 794,
&end
#
# 52 VAL MGY 53 ALA HN 4.00 (# 511:10 Preassigned 2.33, 4.36 A)
&rst
ixpk= 511, nxpk= 10, iat= -1, 788, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1= 778, 779, 780, 782, 783, 784,
&end
#
# 52 VAL MGX 53 ALA HN 5.50 (# 512:10 Preassigned 2.33, 4.36 A)
&rst
ixpk= 512, nxpk= 10, iat= -1, 788, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 778, 779, 780, 782, 783, 784,
&end
#
# 23 LEU HN 22 LEU HN 4.00 (# 522:10 Preassigned 2.61, 2.69 A)
&rst
ixpk= 522, nxpk= 10, iat= 348, 329, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 21 ARG HA 22 LEU HN 5.50 (# 523:10 Preassigned 3.55, 3.59 A)
&rst
ixpk= 523, nxpk= 10, iat= 307, 329, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 22 LEU HA 22 LEU HN 5.50 (# 524:10 Preassigned 2.86, 2.88 A)
&rst
ixpk= 524, nxpk= 10, iat= 331, 329, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 19 ALA HA 22 LEU HN 5.50 (# 525:10 Preassigned 3.37, 3.63 A)
&rst
ixpk= 525, nxpk= 10, iat= 282, 329, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 22 LEU HG 22 LEU HN 4.00 (# 527:10 Preassigned 2.45, 2.71 A)
&rst
ixpk= 527, nxpk= 10, iat= 336, 329, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 22 LEU HB- 22 LEU HN 4.00 (# 528:10 Preassigned 2.20, 2.94 A)
&rst
ixpk= 528, nxpk= 10, iat= -1, 329, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 333, 334,
&end
#
# 58 LEU MDY 22 LEU HN 5.50 (# 530:10 Preassigned 2.86, 4.94 A)
&rst
ixpk= 530, nxpk= 10, iat= -1, 329, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 866, 867, 868, 870, 871, 872,
&end
#
# 0 AMB 10-2:531 22 LEU HN 5.50 (# 531:10 Single Ambig )
&rst
ixpk= 531, nxpk= 10, iat= -1, 329, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 896, 897, 898, 900, 901, 902, 896, 897, 898, 900,
901, 902,
&end
#
# 22 LEU HB+ 22 LEU HN 4.00 (# 532:10 Preassigned 2.20, 2.94 A)
&rst
ixpk= 532, nxpk= 10, iat= -1, 329, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 333, 334,
&end
#
# 21 ARG HG- 22 LEU HN 5.50 (# 533:10 Preassigned 4.38, 4.89 A)
&rst
ixpk= 533, nxpk= 10, iat= -1, 329, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 312, 313,
&end
#
# 22 LEU MDY 22 LEU HN 5.50 (# 535:10 Preassigned 2.77, 4.54 A)
&rst
ixpk= 535, nxpk= 10, iat= -1, 329, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 338, 339, 340, 342, 343, 344,
&end
#
# 53 ALA HN 54 ALA HN 4.00 (# 537:10 Preassigned 2.54, 2.68 A)
&rst
ixpk= 537, nxpk= 10, iat= 788, 798, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 0 AMB 10-2:538 54 ALA HN 5.50 (# 538:10 Single Ambig )
&rst
ixpk= 538, nxpk= 10, iat= -1, 798, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 761, 840,
&end
#
# 55 GLU HN 54 ALA HN 5.50 (# 539:10 Preassigned 2.76, 2.83 A)
&rst
ixpk= 539, nxpk= 10, iat= 808, 798, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 51 SER HA 54 ALA HN 5.50 (# 540:10 Preassigned 3.71, 4.13 A)
&rst
ixpk= 540, nxpk= 10, iat= 763, 798, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 54 ALA HA 54 ALA HN 4.00 (# 541:10 Preassigned 2.84, 2.86 A)
&rst
ixpk= 541, nxpk= 10, iat= 800, 798, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 0 AMB 10-2:542 54 ALA HN 5.50 (# 542:10 Single Ambig )
&rst
ixpk= 542, nxpk= 10, iat= -1, 798, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 774, 827, 828,
&end
#
# 54 ALA MB 54 ALA HN 2.80 (# 543:10 Preassigned 2.54, 2.97 A)
&rst
ixpk= 543, nxpk= 10, iat= -1, 798, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 802, 803, 804,
&end
#
# 60 LEU HG 54 ALA HN 5.50 (# 544:10 Preassigned 4.02, 4.70 A)
&rst
ixpk= 544, nxpk= 10, iat= 894, 798, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:545 54 ALA HN 5.50 (# 545:10 Single Ambig )
&rst
ixpk= 545, nxpk= 10, iat= -1, 798, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 790, 810,
&end
#
# 50 ILE HA 54 ALA HN 5.50 (# 546:10 Preassigned 3.12, 3.37 A)
&rst
ixpk= 546, nxpk= 10, iat= 744, 798, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 53 ALA MB 54 ALA HN 5.50 (# 547:10 Preassigned 2.42, 3.43 A)
&rst
ixpk= 547, nxpk= 10, iat= -1, 798, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 792, 793, 794,
&end
#
# 20 GLU HN 19 ALA HN 5.50 (# 555:10 Preassigned 2.77, 2.87 A)
&rst
ixpk= 555, nxpk= 10, iat= 290, 280, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 59 SER HN 58 LEU HN 5.50 (# 556:10 Preassigned 2.50, 3.54 A)
&rst
ixpk= 556, nxpk= 10, iat= 876, 857, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 56 HIS HB- 58 LEU HN 5.50 (# 557:10 Preassigned 3.35, 4.14 A)
&rst
ixpk= 557, nxpk= 10, iat= -1, 857, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 827, 828,
&end
#
# 56 HIS HB+ 58 LEU HN 5.50 (# 558:10 Preassigned 3.35, 4.14 A)
&rst
ixpk= 558, nxpk= 10, iat= -1, 857, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 827, 828,
&end
#
# 54 ALA MB 58 LEU HN 5.50 (# 559:10 Preassigned 4.78, 5.27 A)
&rst
ixpk= 559, nxpk= 10, iat= -1, 857, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 802, 803, 804,
&end
#
# 0 AMB 10-2:560 58 LEU HN 5.50 (# 560:10 Single Ambig )
&rst
ixpk= 560, nxpk= 10, iat= -1, 857, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 896, 897, 898, 900, 901, 902, 896, 897, 898, 900,
901, 902,
&end
#
# 54 ALA HN 58 LEU HN 5.50 (# 561:10 Preassigned 4.36, 4.53 A)
&rst
ixpk= 561, nxpk= 10, iat= 798, 857, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 56 HIS HN 58 LEU HN 5.50 (# 562:10 Preassigned 3.32, 3.73 A)
&rst
ixpk= 562, nxpk= 10, iat= 823, 857, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 58 LEU HA 58 LEU HN 4.00 (# 563:10 Preassigned 2.85, 2.95 A)
&rst
ixpk= 563, nxpk= 10, iat= 859, 857, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 54 ALA HA 58 LEU HN 4.00 (# 564:10 Preassigned 2.49, 2.74 A)
&rst
ixpk= 564, nxpk= 10, iat= 800, 857, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 53 ALA HA 58 LEU HN 5.50 (# 565:10 Preassigned 4.00, 4.17 A)
&rst
ixpk= 565, nxpk= 10, iat= 790, 857, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 57 GLN HA 58 LEU HN 4.00 (# 566:10 Preassigned 2.56, 2.76 A)
&rst
ixpk= 566, nxpk= 10, iat= 842, 857, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 0 AMB 10-2:567 58 LEU HN 5.50 (# 567:10 Single Ambig )
&rst
ixpk= 567, nxpk= 10, iat= -1, 857, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 844, 845, 847, 848,
&end
#
# 58 LEU HB+ 58 LEU HN 4.00 (# 568:10 Preassigned 2.19, 2.82 A)
&rst
ixpk= 568, nxpk= 10, iat= -1, 857, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 861, 862,
&end
#
# 53 ALA MB 58 LEU HN 5.50 (# 569:10 Preassigned 3.81, 4.86 A)
&rst
ixpk= 569, nxpk= 10, iat= -1, 857, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 792, 793, 794,
&end
#
# 58 LEU HB- 58 LEU HN 4.00 (# 570:10 Preassigned 2.19, 2.82 A)
&rst
ixpk= 570, nxpk= 10, iat= -1, 857, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 861, 862,
&end
#
# 58 LEU MDX 58 LEU HN 5.50 (# 571:10 Preassigned 3.74, 5.32 A)
&rst
ixpk= 571, nxpk= 10, iat= -1, 857, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 866, 867, 868, 870, 871, 872,
&end
#
# 58 LEU MDY 58 LEU HN 5.50 (# 572:10 Preassigned 3.74, 5.32 A)
&rst
ixpk= 572, nxpk= 10, iat= -1, 857, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 866, 867, 868, 870, 871, 872,
&end
#
# 68 ILE HN 39 ALA HN 5.50 (# 573:10 Preassigned 3.83, 4.24 A)
&rst
ixpk= 573, nxpk= 10, iat=1007, 601, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 36 GLY HA- 39 ALA HN 6.00 (# 574:10 Preassigned 3.37, 4.30 A)
&rst
ixpk= 574, nxpk= 10, iat= -1, 601, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 570, 571,
&end
#
# 37 LEU HN 39 ALA HN 5.50 (# 575:10 Preassigned 3.69, 4.28 A)
&rst
ixpk= 575, nxpk= 10, iat= 575, 601, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 131 LEU HN 132 GLU HN 4.00 (# 577:10 Preassigned 2.61, 2.76 A)
&rst
ixpk= 577, nxpk= 10, iat=2068,2087, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 134 SER HN 132 GLU HN 6.00 (# 578:10 Preassigned 3.95, 4.18 A)
&rst
ixpk= 578, nxpk= 10, iat=2126,2087, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 133 ARG HN 132 GLU HN 4.00 (# 579:10 Preassigned 2.55, 2.68 A)
&rst
ixpk= 579, nxpk= 10, iat=2102,2087, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 128 TYR HD 132 GLU HN 5.50 (# 580:10 Preassigned 3.67, 5.59 A)
&rst
ixpk= 580, nxpk= 10, iat= -1,2087, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2022,2031,
&end
#
# 0 AMB 10-2:581 132 GLU HN 5.50 (# 581:10 Single Ambig )
&rst
ixpk= 581, nxpk= 10, iat= -1,2087, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2070,2051,
&end
#
# 132 GLU HA 132 GLU HN 4.00 (# 582:10 Preassigned 2.88, 2.92 A)
&rst
ixpk= 582, nxpk= 10, iat=2089,2087, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 128 TYR HA 132 GLU HN 5.50 (# 583:10 Preassigned 3.90, 4.02 A)
&rst
ixpk= 583, nxpk= 10, iat=2016,2087, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 132 GLU HG+ 132 GLU HN 5.50 (# 584:10 Preassigned 4.35, 4.51 A)
&rst
ixpk= 584, nxpk= 10, iat= -1,2087, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2094,2095,
&end
#
# 132 GLU HG- 132 GLU HN 5.50 (# 585:10 Preassigned 4.35, 4.51 A)
&rst
ixpk= 585, nxpk= 10, iat= -1,2087, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2094,2095,
&end
#
# 132 GLU HB+ 132 GLU HN 2.80 (# 586:10 Preassigned 2.33, 2.54 A)
&rst
ixpk= 586, nxpk= 10, iat= -1,2087, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2091,2092,
&end
#
# 131 LEU HB- 132 GLU HN 4.00 (# 587:10 Preassigned 2.75, 4.02 A)
&rst
ixpk= 587, nxpk= 10, iat= -1,2087, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=2072,2073,
&end
#
# 132 GLU HB- 132 GLU HN 4.00 (# 588:10 Preassigned 2.33, 2.54 A)
&rst
ixpk= 588, nxpk= 10, iat= -1,2087, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=2091,2092,
&end
#
# 0 AMB 10-2:589 132 GLU HN 5.50 (# 589:10 Single Ambig )
&rst
ixpk= 589, nxpk= 10, iat= -1,2087, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2109,2110,2053,2054,
&end
#
# 22 LEU MDX 132 GLU HN 5.50 (# 590:10 Preassigned 3.10, 5.49 A)
&rst
ixpk= 590, nxpk= 10, iat= -1,2087, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 338, 339, 340, 342, 343, 344,
&end
#
# 131 LEU HB+ 132 GLU HN 5.50 (# 591:10 Preassigned 2.75, 4.02 A)
&rst
ixpk= 591, nxpk= 10, iat= -1,2087, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2072,2073,
&end
#
# 22 LEU MDY 132 GLU HN 5.50 (# 592:10 Preassigned 3.10, 5.49 A)
&rst
ixpk= 592, nxpk= 10, iat= -1,2087, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 338, 339, 340, 342, 343, 344,
&end
#
# 130 LEU HN 132 GLU HN 5.50 (# 593:10 Preassigned 3.84, 3.94 A)
&rst
ixpk= 593, nxpk= 10, iat=2049,2087, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 128 TYR HE 132 GLU HN 7.00 (# 594:10 Preassigned 4.95, 6.32 A)
&rst
ixpk= 594, nxpk= 10, iat= -1,2087, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=2024,2029,
&end
#
# 18 THR HN 19 ALA HN 4.00 (# 599:10 Preassigned 2.62, 2.73 A)
&rst
ixpk= 599, nxpk= 10, iat= 266, 280, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 18 THR HB 19 ALA HN 4.00 (# 601:10 Preassigned 2.39, 2.49 A)
&rst
ixpk= 601, nxpk= 10, iat= 270, 280, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 16 SER HA 19 ALA HN 5.50 (# 602:10 Preassigned 3.14, 3.42 A)
&rst
ixpk= 602, nxpk= 10, iat= 243, 280, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 19 ALA HA 19 ALA HN 4.00 (# 603:10 Preassigned 2.80, 2.84 A)
&rst
ixpk= 603, nxpk= 10, iat= 282, 280, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 0 AMB 10-2:604 19 ALA HN 5.50 (# 604:10 Single Ambig )
&rst
ixpk= 604, nxpk= 10, iat= -1, 280, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 272, 273, 274, 333, 334,
&end
#
# 131 LEU MDX 19 ALA HN 5.50 (# 605:10 Preassigned 2.91, 4.76 A)
&rst
ixpk= 605, nxpk= 10, iat= -1, 280, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2077,2078,2079,2081,2082,2083,
&end
#
# 19 ALA MB 19 ALA HN 4.00 (# 606:10 Preassigned 2.25, 2.85 A)
&rst
ixpk= 606, nxpk= 10, iat= -1, 280, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1= 284, 285, 286,
&end
#
# 0 AMB 10-2:607 19 ALA HN 5.50 (# 607:10 Single Ambig )
&rst
ixpk= 607, nxpk= 10, iat= -1, 280, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 113, 114, 115, 117, 118, 119, 259, 260,
&end
#
# 22 LEU MDY 19 ALA HN 6.00 (# 608:10 Preassigned 4.13, 6.72 A)
&rst
ixpk= 608, nxpk= 10, iat= -1, 280, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 338, 339, 340, 342, 343, 344,
&end
#
# 38 GLY HN 39 ALA HN 4.00 (# 610:10 Preassigned 2.72, 2.91 A)
&rst
ixpk= 610, nxpk= 10, iat= 594, 601, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 38 GLY HA- 39 ALA HN 5.50 (# 611:10 Preassigned 2.46, 3.09 A)
&rst
ixpk= 611, nxpk= 10, iat= -1, 601, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 596, 597,
&end
#
# 39 ALA HA 39 ALA HN 4.00 (# 612:10 Preassigned 2.69, 2.78 A)
&rst
ixpk= 612, nxpk= 10, iat= 603, 601, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 38 GLY HA+ 39 ALA HN 5.50 (# 613:10 Preassigned 2.46, 3.09 A)
&rst
ixpk= 613, nxpk= 10, iat= -1, 601, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 596, 597,
&end
#
# 67 GLN HB+ 39 ALA HN 5.50 (# 614:10 Preassigned 3.38, 4.52 A)
&rst
ixpk= 614, nxpk= 10, iat= -1, 601, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 994, 995,
&end
#
# 39 ALA MB 39 ALA HN 4.00 (# 615:10 Preassigned 2.28, 2.86 A)
&rst
ixpk= 615, nxpk= 10, iat= -1, 601, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1= 605, 606, 607,
&end
#
# 36 GLY HN 39 ALA HN 5.50 (# 616:10 Preassigned 3.96, 4.37 A)
&rst
ixpk= 616, nxpk= 10, iat= 568, 601, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 67 GLN HE2- 39 ALA HN 6.00 (# 617:10 Preassigned 3.44, 4.56 A)
&rst
ixpk= 617, nxpk= 10, iat= -1, 601, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1002,1003,
&end
#
# 67 GLN HA 39 ALA HN 5.50 (# 618:10 Preassigned 2.72, 3.08 A)
&rst
ixpk= 618, nxpk= 10, iat= 992, 601, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 89 ARG HN 90 LEU HN 5.50 (# 629:10 Preassigned 2.52, 2.68 A)
&rst
ixpk= 629, nxpk= 10, iat=1386,1410, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 90 LEU HA 90 LEU HN 4.00 (# 630:10 Preassigned 2.81, 2.84 A)
&rst
ixpk= 630, nxpk= 10, iat=1412,1410, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 91 CYS HB+ 90 LEU HN 7.00 (# 631:10 Preassigned 4.98, 5.61 A)
&rst
ixpk= 631, nxpk= 10, iat= -1,1410, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1433,1434,
&end
#
# 90 LEU HB- 90 LEU HN 4.00 (# 632:10 Preassigned 2.13, 2.66 A)
&rst
ixpk= 632, nxpk= 10, iat= -1,1410, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1414,1415,
&end
#
# 90 LEU MDY 90 LEU HN 5.50 (# 633:10 Preassigned 2.63, 4.87 A)
&rst
ixpk= 633, nxpk= 10, iat= -1,1410, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1419,1420,1421,1423,1424,1425,
&end
#
# 90 LEU MDX 90 LEU HN 5.50 (# 634:10 Preassigned 2.63, 4.87 A)
&rst
ixpk= 634, nxpk= 10, iat= -1,1410, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1419,1420,1421,1423,1424,1425,
&end
#
# 147 VAL HN 146 GLN HN 5.50 (# 635:10 Preassigned 2.64, 4.23 A)
&rst
ixpk= 635, nxpk= 10, iat=2324,2307, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 146 GLN HA 146 GLN HN 2.80 (# 636:10 Preassigned 2.20, 2.72 A)
&rst
ixpk= 636, nxpk= 10, iat=2309,2307, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 145 GLU HA 146 GLN HN 2.80 (# 637:10 Preassigned 2.29, 2.99 A)
&rst
ixpk= 637, nxpk= 10, iat=2294,2307, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:638 146 GLN HN 2.80 (# 638:10 Single Ambig )
&rst
ixpk= 638, nxpk= 10, iat= -1,2307, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=2296,2297,2311,2312,
&end
#
# 65 ALA HN 43 LYS HN 5.50 (# 639:10 Preassigned 3.68, 3.82 A)
&rst
ixpk= 639, nxpk= 10, iat= 956, 653, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 42 GLY HN 43 LYS HN 4.00 (# 640:10 Preassigned 2.42, 2.76 A)
&rst
ixpk= 640, nxpk= 10, iat= 646, 653, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 44 GLY HN 43 LYS HN 5.50 (# 641:10 Preassigned 2.67, 4.37 A)
&rst
ixpk= 641, nxpk= 10, iat= 675, 653, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 43 LYS HA 43 LYS HN 5.50 (# 642:10 Preassigned 2.84, 2.88 A)
&rst
ixpk= 642, nxpk= 10, iat= 655, 653, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 42 GLY HA- 43 LYS HN 5.50 (# 643:10 Preassigned 2.98, 3.34 A)
&rst
ixpk= 643, nxpk= 10, iat= -1, 653, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 648, 649,
&end
#
# 43 LYS HB+ 43 LYS HN 4.00 (# 644:10 Preassigned 2.22, 2.55 A)
&rst
ixpk= 644, nxpk= 10, iat= -1, 653, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 657, 658,
&end
#
# 43 LYS HB- 43 LYS HN 5.50 (# 645:10 Preassigned 2.22, 2.55 A)
&rst
ixpk= 645, nxpk= 10, iat= -1, 653, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 657, 658,
&end
#
# 0 AMB 10-2:647 43 LYS HN 5.50 (# 647:10 Single Ambig )
&rst
ixpk= 647, nxpk= 10, iat= -1, 653, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 663, 664, 663, 664,
&end
#
# 65 ALA MB 43 LYS HN 4.00 (# 649:10 Preassigned 2.20, 3.28 A)
&rst
ixpk= 649, nxpk= 10, iat= -1, 653, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1= 960, 961, 962,
&end
#
# 133 ARG HN 131 LEU HN 6.00 (# 651:10 Preassigned 4.31, 4.46 A)
&rst
ixpk= 651, nxpk= 10, iat=2102,2068, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:652 131 LEU HN 5.50 (# 652:10 Single Ambig )
&rst
ixpk= 652, nxpk= 10, iat= -1,2068, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2070,2051,
&end
#
# 132 GLU HN 131 LEU HN 4.00 (# 653:10 Preassigned 2.61, 2.76 A)
&rst
ixpk= 653, nxpk= 10, iat=2087,2068, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 130 LEU HN 131 LEU HN 4.00 (# 654:10 Preassigned 2.64, 2.85 A)
&rst
ixpk= 654, nxpk= 10, iat=2049,2068, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 128 TYR HA 131 LEU HN 5.50 (# 655:10 Preassigned 3.36, 3.69 A)
&rst
ixpk= 655, nxpk= 10, iat=2016,2068, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 130 LEU HB+ 131 LEU HN 5.50 (# 656:10 Preassigned 2.23, 3.27 A)
&rst
ixpk= 656, nxpk= 10, iat= -1,2068, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2053,2054,
&end
#
# 131 LEU HG 131 LEU HN 4.00 (# 658:10 Preassigned 2.10, 2.37 A)
&rst
ixpk= 658, nxpk= 10, iat=2075,2068, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 131 LEU HB- 131 LEU HN 4.00 (# 659:10 Unique 2.27, 3.18 A)
&rst
ixpk= 659, nxpk= 10, iat= -1,2068, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=2072,2073,
&end
#
# 22 LEU MDY 131 LEU HN 6.00 (# 661:10 Preassigned 5.18, 7.59 A)
&rst
ixpk= 661, nxpk= 10, iat= -1,2068, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 338, 339, 340, 342, 343, 344,
&end
#
# 0 AMB 10-2:662 0 AMB 10-1:662 5.50 (# 662:10 Double Ambig )
&rst
ixpk= 662, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1440,2268,
igr2=1410,2307,
&end
#
# 87 ILE HA 90 LEU HN 5.50 (# 663:10 Preassigned 3.73, 4.14 A)
&rst
ixpk= 663, nxpk= 10, iat=1354,1410, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 90 LEU HG 90 LEU HN 5.50 (# 665:10 Preassigned 2.50, 3.86 A)
&rst
ixpk= 665, nxpk= 10, iat=1417,1410, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 37 LEU MDX 90 LEU HN 5.50 (# 666:10 Preassigned 2.34, 4.82 A)
&rst
ixpk= 666, nxpk= 10, iat= -1,1410, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 584, 585, 586, 588, 589, 590,
&end
#
# 65 ALA HA 43 LYS HN 6.00 (# 667:10 Preassigned 5.14, 5.39 A)
&rst
ixpk= 667, nxpk= 10, iat= 958, 653, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 41 VAL HA 43 LYS HN 5.50 (# 669:10 Preassigned 3.47, 3.67 A)
&rst
ixpk= 669, nxpk= 10, iat= 632, 653, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 29 GLU HG+ 30 LEU HN 5.50 (# 670:10 Preassigned 3.30, 4.65 A)
&rst
ixpk= 670, nxpk= 10, iat= -1, 475, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 467, 468,
&end
#
# 65 ALA HN 66 ARG HN 5.50 (# 671:10 Preassigned 4.46, 4.55 A)
&rst
ixpk= 671, nxpk= 10, iat= 956, 966, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:672 66 ARG HN 5.50 (# 672:10 Single Ambig )
&rst
ixpk= 672, nxpk= 10, iat= -1, 966, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 611, 938,
&end
#
# 41 VAL HN 66 ARG HN 5.50 (# 673:10 Preassigned 5.18, 5.51 A)
&rst
ixpk= 673, nxpk= 10, iat= 630, 966, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:674 66 ARG HN 4.00 (# 674:10 Single Ambig )
&rst
ixpk= 674, nxpk= 10, iat= -1, 966, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 958, 560,
&end
#
# 66 ARG HD- 66 ARG HN 5.50 (# 675:10 Preassigned 2.25, 4.07 A)
&rst
ixpk= 675, nxpk= 10, iat= -1, 966, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 976, 977,
&end
#
# 0 AMB 10-2:676 66 ARG HN 7.00 (# 676:10 Single Ambig )
&rst
ixpk= 676, nxpk= 10, iat= -1, 966, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1= 570, 571, 632,
&end
#
# 66 ARG HB+ 66 ARG HN 5.50 (# 677:10 Preassigned 2.98, 3.69 A)
&rst
ixpk= 677, nxpk= 10, iat= -1, 966, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 970, 971,
&end
#
# 66 ARG HG+ 66 ARG HN 4.00 (# 678:10 Preassigned 2.29, 3.55 A)
&rst
ixpk= 678, nxpk= 10, iat= -1, 966, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 973, 974,
&end
#
# 66 ARG HG- 66 ARG HN 5.50 (# 679:10 Preassigned 2.29, 3.55 A)
&rst
ixpk= 679, nxpk= 10, iat= -1, 966, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 973, 974,
&end
#
# 40 LEU HB- 66 ARG HN 6.00 (# 680:10 Preassigned 6.41, 7.29 A)
&rst
ixpk= 680, nxpk= 10, iat= -1, 966, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 615, 616,
&end
#
# 65 ALA MB 66 ARG HN 4.00 (# 681:10 Preassigned 2.84, 3.90 A)
&rst
ixpk= 681, nxpk= 10, iat= -1, 966, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1= 960, 961, 962,
&end
#
# 36 GLY HN 66 ARG HN 5.50 (# 682:10 Preassigned 2.78, 3.33 A)
&rst
ixpk= 682, nxpk= 10, iat= 568, 966, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 66 ARG HA 66 ARG HN 5.50 (# 683:10 Preassigned 2.85, 2.90 A)
&rst
ixpk= 683, nxpk= 10, iat= 968, 966, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 58 LEU HA 59 SER HN 4.00 (# 684:10 Preassigned 2.16, 2.44 A)
&rst
ixpk= 684, nxpk= 10, iat= 859, 876, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 59 SER HA 59 SER HN 4.00 (# 685:10 Preassigned 2.33, 2.78 A)
&rst
ixpk= 685, nxpk= 10, iat= 878, 876, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 0 AMB 10-2:686 59 SER HN 2.80 (# 686:10 Single Ambig )
&rst
ixpk= 686, nxpk= 10, iat= -1, 876, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 880, 881, 880, 881,
&end
#
# 58 LEU HB- 59 SER HN 4.00 (# 687:10 Unique 3.02, 4.38 A)
&rst
ixpk= 687, nxpk= 10, iat= -1, 876, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 861, 862,
&end
#
# 0 AMB 10-2:688 0 AMB 10-1:688 4.00 (# 688:10 Double Ambig )
&rst
ixpk= 688, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
igr1=2072,2073, 866, 867, 868, 870, 871, 872,
igr2=2068, 876,
&end
#
# 0 AMB 10-2:689 59 SER HN 5.50 (# 689:10 Single Ambig )
&rst
ixpk= 689, nxpk= 10, iat= -1, 876, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 896, 897, 898, 900, 901, 902, 896, 897, 898, 900,
901, 902,
&end
#
# 45 ALA HA 46 ASP HN 4.00 (# 693:10 Preassigned 2.22, 2.32 A)
&rst
ixpk= 693, nxpk= 10, iat= 684, 692, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 46 ASP HB+ 46 ASP HN 4.00 (# 694:10 Preassigned 2.41, 2.55 A)
&rst
ixpk= 694, nxpk= 10, iat= -1, 692, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 696, 697,
&end
#
# 46 ASP HB- 46 ASP HN 2.80 (# 695:10 Preassigned 2.41, 2.55 A)
&rst
ixpk= 695, nxpk= 10, iat= -1, 692, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 696, 697,
&end
#
# 45 ALA MB 46 ASP HN 4.00 (# 697:10 Preassigned 2.11, 3.64 A)
&rst
ixpk= 697, nxpk= 10, iat= -1, 692, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1= 686, 687, 688,
&end
#
# 125 ALA HN 124 PHE HN 5.50 (# 709:10 Preassigned 2.67, 2.79 A)
&rst
ixpk= 709, nxpk= 10, iat=1978,1958, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 124 PHE HD 124 PHE HN 4.00 (# 710:10 Preassigned 2.46, 4.03 A)
&rst
ixpk= 710, nxpk= 10, iat= -1,1958, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1966,1974,
&end
#
# 123 THR HB 124 PHE HN 4.00 (# 711:10 Preassigned 2.56, 2.64 A)
&rst
ixpk= 711, nxpk= 10, iat=1948,1958, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 124 PHE HA 124 PHE HN 4.00 (# 713:10 Preassigned 2.81, 2.85 A)
&rst
ixpk= 713, nxpk= 10, iat=1960,1958, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 124 PHE HB- 124 PHE HN 5.50 (# 714:10 Preassigned 2.07, 2.81 A)
&rst
ixpk= 714, nxpk= 10, iat= -1,1958, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1962,1963,
&end
#
# 124 PHE HB+ 124 PHE HN 5.50 (# 718:10 Preassigned 2.07, 2.81 A)
&rst
ixpk= 718, nxpk= 10, iat= -1,1958, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1962,1963,
&end
#
# 121 ARG HB+ 124 PHE HN 6.00 (# 720:10 Preassigned 4.57, 5.30 A)
&rst
ixpk= 720, nxpk= 10, iat= -1,1958, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1909,1910,
&end
#
# 129 THR HN 130 LEU HN 4.00 (# 721:10 Preassigned 2.72, 2.75 A)
&rst
ixpk= 721, nxpk= 10, iat=2035,2049, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 129 THR HA 130 LEU HN 5.50 (# 722:10 Preassigned 3.56, 3.58 A)
&rst
ixpk= 722, nxpk= 10, iat=2037,2049, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 127 VAL HA 130 LEU HN 5.50 (# 723:10 Preassigned 3.01, 3.27 A)
&rst
ixpk= 723, nxpk= 10, iat=2000,2049, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 129 THR MG2 130 LEU HN 5.50 (# 724:10 Preassigned 3.85, 4.60 A)
&rst
ixpk= 724, nxpk= 10, iat= -1,2049, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=2041,2042,2043,
&end
#
# 0 AMB 10-2:725 0 AMB 10-1:725 2.80 (# 725:10 Double Ambig )
&rst
ixpk= 725, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1530,2051,
igr2=1528,2049,
&end
#
# 91 CYS HA 98 ARG HN 5.50 (# 726:10 Preassigned 3.88, 4.25 A)
&rst
ixpk= 726, nxpk= 10, iat=1431,1528, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 98 ARG HB- 98 ARG HN 2.80 (# 727:10 Unique 2.28, 3.03 A)
&rst
ixpk= 727, nxpk= 10, iat= -1,1528, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1532,1533,
&end
#
# 98 ARG HG+ 98 ARG HN 5.50 (# 728:10 Preassigned 2.25, 3.65 A)
&rst
ixpk= 728, nxpk= 10, iat= -1,1528, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1535,1536,
&end
#
# 96 GLU HN 98 ARG HN 5.50 (# 729:10 Preassigned 3.27, 4.27 A)
&rst
ixpk= 729, nxpk= 10, iat=1496,1528, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 99 GLY HN 98 ARG HN 5.50 (# 730:10 Preassigned 2.91, 3.97 A)
&rst
ixpk= 730, nxpk= 10, iat=1552,1528, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 97 MET HN 98 ARG HN 2.80 (# 731:10 Preassigned 1.96, 2.35 A)
&rst
ixpk= 731, nxpk= 10, iat=1511,1528, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 97 MET HA 98 ARG HN 4.00 (# 732:10 Preassigned 3.21, 3.35 A)
&rst
ixpk= 732, nxpk= 10, iat=1513,1528, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 95 PRO HA 98 ARG HN 5.50 (# 733:10 Preassigned 3.00, 3.27 A)
&rst
ixpk= 733, nxpk= 10, iat=1492,1528, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 98 ARG HD- 98 ARG HN 7.00 (# 734:10 Preassigned 2.35, 3.52 A)
&rst
ixpk= 734, nxpk= 10, iat= -1,1528, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1538,1539,
&end
#
# 98 ARG HB+ 98 ARG HN 2.80 (# 736:10 Preassigned 2.28, 3.03 A)
&rst
ixpk= 736, nxpk= 10, iat= -1,1528, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1532,1533,
&end
#
# 29 GLU HN 30 LEU HN 4.00 (# 738:10 Preassigned 2.19, 2.61 A)
&rst
ixpk= 738, nxpk= 10, iat= 460, 475, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 0 AMB 10-2:739 30 LEU HN 5.50 (# 739:10 Single Ambig )
&rst
ixpk= 739, nxpk= 10, iat= -1, 475, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 494, 429,
&end
#
# 30 LEU HA 30 LEU HN 5.50 (# 740:10 Preassigned 2.92, 2.98 A)
&rst
ixpk= 740, nxpk= 10, iat= 477, 475, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 29 GLU HA 30 LEU HN 5.50 (# 741:10 Preassigned 2.58, 3.28 A)
&rst
ixpk= 741, nxpk= 10, iat= 462, 475, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 29 GLU HB- 30 LEU HN 4.00 (# 743:10 Preassigned 3.07, 4.22 A)
&rst
ixpk= 743, nxpk= 10, iat= -1, 475, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 464, 465,
&end
#
# 30 LEU HB- 30 LEU HN 4.00 (# 744:10 Preassigned 2.34, 2.90 A)
&rst
ixpk= 744, nxpk= 10, iat= -1, 475, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 479, 480,
&end
#
# 30 LEU HB+ 30 LEU HN 2.80 (# 745:10 Preassigned 2.34, 2.90 A)
&rst
ixpk= 745, nxpk= 10, iat= -1, 475, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 479, 480,
&end
#
# 30 LEU MDY 30 LEU HN 4.00 (# 746:10 Preassigned 3.09, 4.98 A)
&rst
ixpk= 746, nxpk= 10, iat= -1, 475, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1= 484, 485, 486, 488, 489, 490,
&end
#
# 30 LEU MDX 30 LEU HN 5.50 (# 747:10 Preassigned 3.09, 4.98 A)
&rst
ixpk= 747, nxpk= 10, iat= -1, 475, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 484, 485, 486, 488, 489, 490,
&end
#
# 27 HIS HA 30 LEU HN 6.00 (# 748:10 Preassigned 4.19, 4.64 A)
&rst
ixpk= 748, nxpk= 10, iat= 431, 475, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 48 THR MG2 124 PHE HN 6.00 (# 749:10 Preassigned 4.32, 5.25 A)
&rst
ixpk= 749, nxpk= 10, iat= -1,1958, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1= 724, 725, 726,
&end
#
# 35 ALA MB 66 ARG HN 6.00 (# 751:10 Preassigned 3.89, 4.98 A)
&rst
ixpk= 751, nxpk= 10, iat= -1, 966, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1= 562, 563, 564,
&end
#
# 39 ALA MB 66 ARG HN 5.50 (# 752:10 Preassigned 2.30, 3.21 A)
&rst
ixpk= 752, nxpk= 10, iat= -1, 966, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 605, 606, 607,
&end
#
# 136 ARG HA 138 TRP HN 5.50 (# 754:10 Preassigned 4.45, 4.63 A)
&rst
ixpk= 754, nxpk= 10, iat=2149,2188, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 136 ARG HN 138 TRP HN 5.50 (# 755:10 Preassigned 4.21, 4.34 A)
&rst
ixpk= 755, nxpk= 10, iat=2147,2188, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 137 GLN HN 138 TRP HN 4.00 (# 756:10 Preassigned 2.76, 2.81 A)
&rst
ixpk= 756, nxpk= 10, iat=2171,2188, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 140 GLN HN 138 TRP HN 6.00 (# 757:10 Preassigned 4.07, 4.14 A)
&rst
ixpk= 757, nxpk= 10, iat=2222,2188, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 138 TRP HD1 138 TRP HN 5.50 (# 758:10 Preassigned 2.95, 3.40 A)
&rst
ixpk= 758, nxpk= 10, iat=2196,2188, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 107 TRP HD1 138 TRP HN 5.50 (# 759:10 Preassigned 3.38, 3.87 A)
&rst
ixpk= 759, nxpk= 10, iat=1685,2188, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 134 SER HA 138 TRP HN 5.50 (# 760:10 Preassigned 3.71, 3.89 A)
&rst
ixpk= 760, nxpk= 10, iat=2128,2188, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 138 TRP HA 138 TRP HN 4.00 (# 761:10 Preassigned 2.83, 2.86 A)
&rst
ixpk= 761, nxpk= 10, iat=2190,2188, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 135 ALA HA 138 TRP HN 5.50 (# 762:10 Preassigned 3.22, 3.33 A)
&rst
ixpk= 762, nxpk= 10, iat=2139,2188, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:763 138 TRP HN 7.00 (# 763:10 Single Ambig )
&rst
ixpk= 763, nxpk= 10, iat= -1,2188, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=2214,2104,
&end
#
# 137 GLN HA 138 TRP HN 5.50 (# 764:10 Preassigned 3.62, 3.64 A)
&rst
ixpk= 764, nxpk= 10, iat=2173,2188, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 138 TRP HB+ 138 TRP HN 2.80 (# 766:10 Preassigned 2.15, 2.92 A)
&rst
ixpk= 766, nxpk= 10, iat= -1,2188, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2192,2193,
&end
#
# 138 TRP HB- 138 TRP HN 4.00 (# 767:10 Unique 2.15, 2.92 A)
&rst
ixpk= 767, nxpk= 10, iat= -1,2188, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=2192,2193,
&end
#
# 137 GLN HG+ 138 TRP HN 5.50 (# 768:10 Preassigned 4.61, 4.80 A)
&rst
ixpk= 768, nxpk= 10, iat= -1,2188, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2178,2179,
&end
#
# 137 GLN HB- 138 TRP HN 4.00 (# 769:10 Preassigned 2.58, 3.18 A)
&rst
ixpk= 769, nxpk= 10, iat= -1,2188, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=2175,2176,
&end
#
# 137 GLN HG- 138 TRP HN 5.50 (# 770:10 Preassigned 4.61, 4.80 A)
&rst
ixpk= 770, nxpk= 10, iat= -1,2188, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2178,2179,
&end
#
# 137 GLN HB+ 138 TRP HN 4.00 (# 771:10 Preassigned 2.58, 3.18 A)
&rst
ixpk= 771, nxpk= 10, iat= -1,2188, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=2175,2176,
&end
#
# 23 LEU MDX 138 TRP HN 5.50 (# 772:10 Preassigned 4.07, 5.93 A)
&rst
ixpk= 772, nxpk= 10, iat= -1,2188, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 357, 358, 359, 361, 362, 363,
&end
#
# 141 ALA HN 138 TRP HN 5.50 (# 773:10 Preassigned 4.57, 4.66 A)
&rst
ixpk= 773, nxpk= 10, iat=2239,2188, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:775 138 TRP HN 5.50 (# 775:10 Single Ambig )
&rst
ixpk= 775, nxpk= 10, iat= -1,2188, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=2151,2152,2141,2142,2143,
&end
#
# 60 LEU HB+ 61 GLU HN 5.50 (# 778:10 Preassigned 2.45, 4.19 A)
&rst
ixpk= 778, nxpk= 10, iat= -1, 906, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 891, 892,
&end
#
# 131 LEU HN 130 LEU HN 4.00 (# 779:10 Preassigned 2.64, 2.85 A)
&rst
ixpk= 779, nxpk= 10, iat=2068,2049, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 130 LEU HB- 130 LEU HN 4.00 (# 780:10 Preassigned 2.06, 2.42 A)
&rst
ixpk= 780, nxpk= 10, iat= -1,2049, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=2053,2054,
&end
#
# 132 GLU HN 130 LEU HN 5.50 (# 781:10 Preassigned 3.84, 3.94 A)
&rst
ixpk= 781, nxpk= 10, iat=2087,2049, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 129 THR HB 130 LEU HN 5.50 (# 782:10 Preassigned 2.52, 2.69 A)
&rst
ixpk= 782, nxpk= 10, iat=2039,2049, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 130 LEU HB+ 130 LEU HN 4.00 (# 783:10 Preassigned 2.06, 2.42 A)
&rst
ixpk= 783, nxpk= 10, iat= -1,2049, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=2053,2054,
&end
#
# 130 LEU MDY 130 LEU HN 4.00 (# 784:10 Preassigned 4.13, 5.09 A)
&rst
ixpk= 784, nxpk= 10, iat= -1,2049, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1=2058,2059,2060,2062,2063,2064,
&end
#
# 91 CYS HA 98 ARG HN 6.00 (# 785:10 Preassigned 3.88, 4.25 A)
&rst
ixpk= 785, nxpk= 10, iat=1431,1528, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 23 LEU MDY 138 TRP HN 6.00 (# 786:10 Preassigned 4.07, 5.93 A)
&rst
ixpk= 786, nxpk= 10, iat= -1,2188, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 357, 358, 359, 361, 362, 363,
&end
#
# 136 ARG HA 139 ALA HN 5.50 (# 788:10 Preassigned 3.10, 3.33 A)
&rst
ixpk= 788, nxpk= 10, iat=2149,2212, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 138 TRP HB- 139 ALA HN 5.50 (# 789:10 Preassigned 2.68, 3.22 A)
&rst
ixpk= 789, nxpk= 10, iat= -1,2212, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2192,2193,
&end
#
# 140 GLN HN 139 ALA HN 4.00 (# 790:10 Preassigned 2.76, 2.80 A)
&rst
ixpk= 790, nxpk= 10, iat=2222,2212, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 27 HIS HD2 139 ALA HN 5.50 (# 791:10 Preassigned 4.69, 5.59 A)
&rst
ixpk= 791, nxpk= 10, iat= 442,2212, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 138 TRP HB+ 139 ALA HN 5.50 (# 792:10 Preassigned 2.68, 3.22 A)
&rst
ixpk= 792, nxpk= 10, iat= -1,2212, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2192,2193,
&end
#
# 139 ALA MB 139 ALA HN 4.00 (# 793:10 Preassigned 2.51, 2.92 A)
&rst
ixpk= 793, nxpk= 10, iat= -1,2212, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1=2216,2217,2218,
&end
#
# 122 GLU HG+ 123 THR HN 6.00 (# 796:10 Preassigned 2.40, 4.21 A)
&rst
ixpk= 796, nxpk= 10, iat= -1,1944, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1936,1937,
&end
#
# 122 GLU HN 123 THR HN 5.50 (# 797:10 Unique 2.59, 2.78 A)
&rst
ixpk= 797, nxpk= 10, iat=1929,1944, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:799 123 THR HN 2.80 (# 799:10 Single Ambig )
&rst
ixpk= 799, nxpk= 10, iat= -1,1944, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1898,1899,1948,
&end
#
# 0 AMB 10-2:800 123 THR HN 4.00 (# 800:10 Single Ambig )
&rst
ixpk= 800, nxpk= 10, iat= -1,1944, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1946,1931,
&end
#
# 122 GLU HB- 123 THR HN 5.50 (# 801:10 Preassigned 2.49, 3.45 A)
&rst
ixpk= 801, nxpk= 10, iat= -1,1944, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1933,1934,
&end
#
# 122 GLU HB+ 123 THR HN 4.00 (# 802:10 Preassigned 2.49, 3.45 A)
&rst
ixpk= 802, nxpk= 10, iat= -1,1944, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1933,1934,
&end
#
# 62 GLY HN 61 GLU HN 5.50 (# 803:10 Preassigned 2.78, 4.12 A)
&rst
ixpk= 803, nxpk= 10, iat= 921, 906, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 60 LEU HN 61 GLU HN 4.00 (# 804:10 Preassigned 2.31, 3.06 A)
&rst
ixpk= 804, nxpk= 10, iat= 887, 906, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 0 AMB 10-2:805 61 GLU HN 4.00 (# 805:10 Single Ambig )
&rst
ixpk= 805, nxpk= 10, iat= -1, 906, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1= 321, 322, 321, 322,
&end
#
# 60 LEU HA 61 GLU HN 4.00 (# 807:10 Preassigned 2.20, 2.88 A)
&rst
ixpk= 807, nxpk= 10, iat= 889, 906, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 61 GLU HA 61 GLU HN 4.00 (# 808:10 Preassigned 2.25, 2.79 A)
&rst
ixpk= 808, nxpk= 10, iat= 908, 906, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 0 AMB 10-2:809 61 GLU HN 4.00 (# 809:10 Single Ambig )
&rst
ixpk= 809, nxpk= 10, iat= -1, 906, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1= 880, 881, 880, 881,
&end
#
# 0 AMB 10-2:810 61 GLU HN 4.00 (# 810:10 Single Ambig )
&rst
ixpk= 810, nxpk= 10, iat= -1, 906, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1= 913, 914, 913, 914,
&end
#
# 61 GLU HB+ 61 GLU HN 4.00 (# 811:10 Preassigned 2.20, 2.92 A)
&rst
ixpk= 811, nxpk= 10, iat= -1, 906, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 910, 911,
&end
#
# 61 GLU HB- 61 GLU HN 4.00 (# 812:10 Preassigned 2.20, 2.92 A)
&rst
ixpk= 812, nxpk= 10, iat= -1, 906, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 910, 911,
&end
#
# 60 LEU HG 61 GLU HN 6.00 (# 813:10 Preassigned 3.05, 4.82 A)
&rst
ixpk= 813, nxpk= 10, iat= 894, 906, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 50 ILE QG2 61 GLU HN 6.00 (# 814:10 Preassigned 3.37, 6.63 A)
&rst
ixpk= 814, nxpk= 10, iat= -1, 906, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1= 748, 749, 750,
&end
#
# 58 LEU MDY 61 GLU HN 6.00 (# 815:10 Preassigned 5.26, 7.92 A)
&rst
ixpk= 815, nxpk= 10, iat= -1, 906, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 866, 867, 868, 870, 871, 872,
&end
#
# 60 LEU MDY 61 GLU HN 5.50 (# 816:10 Preassigned 2.33, 5.75 A)
&rst
ixpk= 816, nxpk= 10, iat= -1, 906, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 896, 897, 898, 900, 901, 902,
&end
#
# 118 ARG HN 117 TYR HN 5.50 (# 818:10 Preassigned 1.96, 3.98 A)
&rst
ixpk= 818, nxpk= 10, iat=1848,1827, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 117 TYR HD 117 TYR HN 4.00 (# 819:10 Preassigned 4.17, 4.68 A)
&rst
ixpk= 819, nxpk= 10, iat= -1,1827, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1835,1844,
&end
#
# 0 AMB 10-2:821 117 TYR HN 4.00 (# 821:10 Single Ambig )
&rst
ixpk= 821, nxpk= 10, iat= -1,1827, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1=1829,1814,1815,
&end
#
# 117 TYR HB+ 117 TYR HN 2.80 (# 822:10 Preassigned 2.21, 2.58 A)
&rst
ixpk= 822, nxpk= 10, iat= -1,1827, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1831,1832,
&end
#
# 117 TYR HB- 117 TYR HN 4.00 (# 823:10 Preassigned 2.21, 2.58 A)
&rst
ixpk= 823, nxpk= 10, iat= -1,1827, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1831,1832,
&end
#
# 116 PRO HB- 117 TYR HN 6.00 (# 824:10 Preassigned 3.50, 4.28 A)
&rst
ixpk= 824, nxpk= 10, iat= -1,1827, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1820,1821,
&end
#
# 102 MET HN 103 LEU HN 6.00 (# 825:10 Preassigned 4.03, 4.42 A)
&rst
ixpk= 825, nxpk= 10, iat=1597,1614, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 106 HIS HD2 103 LEU HN 7.00 (# 826:10 Preassigned 2.54, 5.17 A)
&rst
ixpk= 826, nxpk= 10, iat=1673,1614, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 102 MET HA 103 LEU HN 2.80 (# 828:10 Preassigned 2.19, 2.43 A)
&rst
ixpk= 828, nxpk= 10, iat=1599,1614, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 103 LEU HA 103 LEU HN 4.00 (# 829:10 Preassigned 2.87, 2.94 A)
&rst
ixpk= 829, nxpk= 10, iat=1616,1614, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 106 HIS HA 103 LEU HN 6.00 (# 830:10 Preassigned 4.96, 5.58 A)
&rst
ixpk= 830, nxpk= 10, iat=1662,1614, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 106 HIS HB- 103 LEU HN 5.50 (# 831:10 Preassigned 3.03, 4.29 A)
&rst
ixpk= 831, nxpk= 10, iat= -1,1614, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1664,1665,
&end
#
# 102 MET HG- 103 LEU HN 5.50 (# 832:10 Preassigned 3.67, 4.42 A)
&rst
ixpk= 832, nxpk= 10, iat= -1,1614, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1604,1605,
&end
#
# 102 MET HB+ 103 LEU HN 5.50 (# 833:10 Unique 2.04, 3.11 A)
&rst
ixpk= 833, nxpk= 10, iat= -1,1614, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1601,1602,
&end
#
# 106 HIS HB+ 103 LEU HN 5.50 (# 834:10 Preassigned 3.03, 4.29 A)
&rst
ixpk= 834, nxpk= 10, iat= -1,1614, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1664,1665,
&end
#
# 103 LEU HB- 103 LEU HN 4.00 (# 835:10 Preassigned 2.31, 2.68 A)
&rst
ixpk= 835, nxpk= 10, iat= -1,1614, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1618,1619,
&end
#
# 102 MET HB- 103 LEU HN 5.50 (# 836:10 Preassigned 2.04, 3.11 A)
&rst
ixpk= 836, nxpk= 10, iat= -1,1614, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1601,1602,
&end
#
# 103 LEU HB+ 103 LEU HN 4.00 (# 837:10 Preassigned 2.31, 2.68 A)
&rst
ixpk= 837, nxpk= 10, iat= -1,1614, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1618,1619,
&end
#
# 81 THR MG2 103 LEU HN 6.00 (# 839:10 Preassigned 4.83, 6.03 A)
&rst
ixpk= 839, nxpk= 10, iat= -1,1614, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1=1249,1250,1251,
&end
#
# 87 ILE QD1 103 LEU HN 5.50 (# 840:10 Preassigned 3.12, 4.02 A)
&rst
ixpk= 840, nxpk= 10, iat= -1,1614, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1365,1366,1367,
&end
#
# 103 LEU MDX 103 LEU HN 5.50 (# 841:10 Preassigned 2.47, 5.15 A)
&rst
ixpk= 841, nxpk= 10, iat= -1,1614, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1623,1624,1625,1627,1628,1629,
&end
#
# 103 LEU MDY 103 LEU HN 5.50 (# 842:10 Preassigned 2.47, 5.15 A)
&rst
ixpk= 842, nxpk= 10, iat= -1,1614, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1623,1624,1625,1627,1628,1629,
&end
#
# 80 LEU MDY 103 LEU HN 6.00 (# 843:10 Preassigned 3.90, 6.77 A)
&rst
ixpk= 843, nxpk= 10, iat= -1,1614, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1233,1234,1235,1237,1238,1239,
&end
#
# 106 HIS HN 103 LEU HN 6.00 (# 844:10 Preassigned 4.10, 4.57 A)
&rst
ixpk= 844, nxpk= 10, iat=1660,1614, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 51 SER HN 52 VAL HN 4.00 (# 850:10 Preassigned 2.93, 3.04 A)
&rst
ixpk= 850, nxpk= 10, iat= 761, 772, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 123 THR MG2 123 THR HN 5.50 (# 851:10 Preassigned 3.92, 4.44 A)
&rst
ixpk= 851, nxpk= 10, iat= -1,1944, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1950,1951,1952,
&end
#
# 60 LEU HB- 61 GLU HN 5.50 (# 853:10 Preassigned 2.45, 4.19 A)
&rst
ixpk= 853, nxpk= 10, iat= -1, 906, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 891, 892,
&end
#
# 104 PHE HN 103 LEU HN 6.00 (# 854:10 Preassigned 4.36, 4.52 A)
&rst
ixpk= 854, nxpk= 10, iat=1633,1614, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 119 LYS HN 118 ARG HN 5.50 (# 855:10 Preassigned 2.24, 2.66 A)
&rst
ixpk= 855, nxpk= 10, iat=1872,1848, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 117 TYR HB- 118 ARG HN 5.50 (# 856:10 Preassigned 2.08, 3.71 A)
&rst
ixpk= 856, nxpk= 10, iat= -1,1848, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1831,1832,
&end
#
# 118 ARG HG+ 118 ARG HN 5.50 (# 857:10 Preassigned 2.48, 3.88 A)
&rst
ixpk= 857, nxpk= 10, iat= -1,1848, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1855,1856,
&end
#
# 124 PHE HE 118 ARG HN 5.50 (# 858:10 Preassigned 2.48, 5.46 A)
&rst
ixpk= 858, nxpk= 10, iat= -1,1848, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1968,1972,
&end
#
# 117 TYR HA 118 ARG HN 4.00 (# 859:10 Preassigned 2.09, 2.86 A)
&rst
ixpk= 859, nxpk= 10, iat=1829,1848, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 117 TYR HB+ 118 ARG HN 5.50 (# 860:10 Preassigned 2.08, 3.71 A)
&rst
ixpk= 860, nxpk= 10, iat= -1,1848, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1831,1832,
&end
#
# 53 ALA HN 52 VAL HN 4.00 (# 862:10 Preassigned 2.64, 2.72 A)
&rst
ixpk= 862, nxpk= 10, iat= 788, 772, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 51 SER HA 52 VAL HN 5.50 (# 864:10 Preassigned 3.63, 3.66 A)
&rst
ixpk= 864, nxpk= 10, iat= 763, 772, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 51 SER HB+ 52 VAL HN 5.50 (# 865:10 Preassigned 2.34, 3.02 A)
&rst
ixpk= 865, nxpk= 10, iat= -1, 772, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 765, 766,
&end
#
# 51 SER HB- 52 VAL HN 4.00 (# 866:10 Preassigned 2.34, 3.02 A)
&rst
ixpk= 866, nxpk= 10, iat= -1, 772, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 765, 766,
&end
#
# 48 THR HA 52 VAL HN 5.50 (# 867:10 Preassigned 3.95, 4.20 A)
&rst
ixpk= 867, nxpk= 10, iat= 720, 772, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 52 VAL HA 52 VAL HN 5.50 (# 868:10 Preassigned 2.85, 2.88 A)
&rst
ixpk= 868, nxpk= 10, iat= 774, 772, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 52 VAL HB 52 VAL HN 4.00 (# 869:10 Preassigned 2.32, 3.03 A)
&rst
ixpk= 869, nxpk= 10, iat= 776, 772, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 52 VAL MGY 52 VAL HN 2.80 (# 870:10 Preassigned 2.15, 3.48 A)
&rst
ixpk= 870, nxpk= 10, iat= -1, 772, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 778, 779, 780, 782, 783, 784,
&end
#
# 52 VAL MGX 52 VAL HN 4.00 (# 871:10 Preassigned 2.15, 3.48 A)
&rst
ixpk= 871, nxpk= 10, iat= -1, 772, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1= 778, 779, 780, 782, 783, 784,
&end
#
# 48 THR MG2 52 VAL HN 5.50 (# 872:10 Preassigned 4.10, 5.48 A)
&rst
ixpk= 872, nxpk= 10, iat= -1, 772, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 724, 725, 726,
&end
#
# 53 ALA HN 55 GLU HN 5.50 (# 873:10 Preassigned 3.68, 4.06 A)
&rst
ixpk= 873, nxpk= 10, iat= 788, 808, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 57 GLN HN 55 GLU HN 5.50 (# 874:10 Preassigned 3.75, 3.98 A)
&rst
ixpk= 874, nxpk= 10, iat= 840, 808, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:875 55 GLU HN 7.00 (# 875:10 Single Ambig )
&rst
ixpk= 875, nxpk= 10, iat= -1, 808, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 825, 859,
&end
#
# 53 ALA HA 55 GLU HN 6.00 (# 876:10 Preassigned 3.92, 4.29 A)
&rst
ixpk= 876, nxpk= 10, iat= 790, 808, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 54 ALA MB 55 GLU HN 4.00 (# 877:10 Preassigned 2.77, 3.68 A)
&rst
ixpk= 877, nxpk= 10, iat= -1, 808, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1= 802, 803, 804,
&end
#
# 0 AMB 10-2:878 55 GLU HN 7.00 (# 878:10 Single Ambig )
&rst
ixpk= 878, nxpk= 10, iat= -1, 808, r1= 0.00, r2= 1.80, r3=10.10, r4=10.85,
igr1= 778, 779, 780, 782, 783, 784, 748, 749, 750,
&end
#
# 117 TYR HN 118 ARG HN 5.50 (# 879:10 Preassigned 1.96, 3.98 A)
&rst
ixpk= 879, nxpk= 10, iat=1827,1848, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 117 TYR HD 118 ARG HN 4.00 (# 880:10 Preassigned 2.52, 4.12 A)
&rst
ixpk= 880, nxpk= 10, iat= -1,1848, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1835,1844,
&end
#
# 118 ARG HA 118 ARG HN 4.00 (# 882:10 Preassigned 2.21, 2.59 A)
&rst
ixpk= 882, nxpk= 10, iat=1850,1848, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 0 AMB 10-2:883 118 ARG HN 5.50 (# 883:10 Single Ambig )
&rst
ixpk= 883, nxpk= 10, iat= -1,1848, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1852,1853,1852,1853,
&end
#
# 118 ARG HG- 118 ARG HN 5.50 (# 884:10 Preassigned 2.48, 3.88 A)
&rst
ixpk= 884, nxpk= 10, iat= -1,1848, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1855,1856,
&end
#
# 117 TYR HE 118 ARG HN 5.50 (# 885:10 Preassigned 3.80, 5.57 A)
&rst
ixpk= 885, nxpk= 10, iat= -1,1848, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1837,1842,
&end
#
# 0 AMB 10-2:886 118 ARG HN 5.50 (# 886:10 Single Ambig )
&rst
ixpk= 886, nxpk= 10, iat= -1,1848, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1858,1859,1858,1859,
&end
#
# 92 GLU HN 94 ALA HN 5.50 (# 887:10 Preassigned 3.92, 4.14 A)
&rst
ixpk= 887, nxpk= 10, iat=1440,1472, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 93 MET HN 94 ALA HN 4.00 (# 888:10 Preassigned 2.68, 2.78 A)
&rst
ixpk= 888, nxpk= 10, iat=1455,1472, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 93 MET HG+ 94 ALA HN 5.50 (# 889:10 Preassigned 2.67, 4.75 A)
&rst
ixpk= 889, nxpk= 10, iat= -1,1472, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1462,1463,
&end
#
# 93 MET HB+ 94 ALA HN 5.50 (# 890:10 Preassigned 2.73, 3.37 A)
&rst
ixpk= 890, nxpk= 10, iat= -1,1472, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1459,1460,
&end
#
# 90 LEU MDY 94 ALA HN 5.50 (# 891:10 Preassigned 3.56, 6.49 A)
&rst
ixpk= 891, nxpk= 10, iat= -1,1472, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1419,1420,1421,1423,1424,1425,
&end
#
# 54 ALA HN 55 GLU HN 4.00 (# 892:10 Preassigned 2.76, 2.83 A)
&rst
ixpk= 892, nxpk= 10, iat= 798, 808, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 56 HIS HD2 55 GLU HN 5.50 (# 893:10 Preassigned 4.07, 4.67 A)
&rst
ixpk= 893, nxpk= 10, iat= 836, 808, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 55 GLU HA 55 GLU HN 4.00 (# 894:10 Preassigned 2.79, 2.85 A)
&rst
ixpk= 894, nxpk= 10, iat= 810, 808, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 52 VAL HA 55 GLU HN 5.50 (# 895:10 Unique 3.15, 3.43 A)
&rst
ixpk= 895, nxpk= 10, iat= 774, 808, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 55 GLU HG+ 55 GLU HN 4.00 (# 896:10 Preassigned 2.53, 4.10 A)
&rst
ixpk= 896, nxpk= 10, iat= -1, 808, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 815, 816,
&end
#
# 55 GLU HB+ 55 GLU HN 4.00 (# 897:10 Preassigned 2.14, 2.64 A)
&rst
ixpk= 897, nxpk= 10, iat= -1, 808, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 812, 813,
&end
#
# 52 VAL MGY 55 GLU HN 6.00 (# 898:10 Preassigned 5.24, 6.21 A)
&rst
ixpk= 898, nxpk= 10, iat= -1, 808, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 778, 779, 780, 782, 783, 784,
&end
#
# 3 ASN HA 3 ASN HN 5.50 (# 899:10 Preassigned 2.20, 2.70 A)
&rst
ixpk= 899, nxpk= 10, iat= 43, 41, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 77 ASP HB+ 3 ASN HN 5.50 (# 900:10 Preassigned 2.56, 4.00 A)
&rst
ixpk= 900, nxpk= 10, iat= -1, 41, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1178,1179,
&end
#
# 2 PHE HB- 3 ASN HN 5.50 (# 901:10 Preassigned 2.31, 3.77 A)
&rst
ixpk= 901, nxpk= 10, iat= -1, 41, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 25, 26,
&end
#
# 2 PHE HA 3 ASN HN 4.00 (# 902:10 Preassigned 2.16, 2.65 A)
&rst
ixpk= 902, nxpk= 10, iat= 23, 41, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 0 AMB 10-2:903 3 ASN HN 5.50 (# 903:10 Single Ambig )
&rst
ixpk= 903, nxpk= 10, iat= -1, 41, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 45, 46, 45, 46,
&end
#
# 124 PHE HE 119 LYS HN 4.00 (# 905:10 Preassigned 2.40, 5.29 A)
&rst
ixpk= 905, nxpk= 10, iat= -1,1872, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1968,1972,
&end
#
# 117 TYR HD 119 LYS HN 5.50 (# 906:10 Preassigned 4.62, 6.01 A)
&rst
ixpk= 906, nxpk= 10, iat= -1,1872, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1835,1844,
&end
#
# 119 LYS HA 119 LYS HN 4.00 (# 907:10 Preassigned 2.89, 2.96 A)
&rst
ixpk= 907, nxpk= 10, iat=1874,1872, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 117 TYR HA 119 LYS HN 5.50 (# 908:10 Preassigned 3.29, 4.07 A)
&rst
ixpk= 908, nxpk= 10, iat=1829,1872, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 116 PRO HA 119 LYS HN 5.50 (# 909:10 Preassigned 3.64, 4.06 A)
&rst
ixpk= 909, nxpk= 10, iat=1823,1872, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 118 ARG HA 119 LYS HN 5.50 (# 910:10 Preassigned 2.83, 3.07 A)
&rst
ixpk= 910, nxpk= 10, iat=1850,1872, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:911 119 LYS HN 4.00 (# 911:10 Single Ambig )
&rst
ixpk= 911, nxpk= 10, iat= -1,1872, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=1876,1877,1876,1877,
&end
#
# 0 AMB 10-2:912 119 LYS HN 5.50 (# 912:10 Single Ambig )
&rst
ixpk= 912, nxpk= 10, iat= -1,1872, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1852,1853,1852,1853,
&end
#
# 119 LYS HD- 119 LYS HN 5.50 (# 913:10 Preassigned 2.69, 4.55 A)
&rst
ixpk= 913, nxpk= 10, iat= -1,1872, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1882,1883,
&end
#
# 119 LYS HG+ 119 LYS HN 4.00 (# 914:10 Preassigned 2.41, 3.47 A)
&rst
ixpk= 914, nxpk= 10, iat= -1,1872, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1879,1880,
&end
#
# 119 LYS HG- 119 LYS HN 4.00 (# 915:10 Preassigned 2.41, 3.47 A)
&rst
ixpk= 915, nxpk= 10, iat= -1,1872, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1879,1880,
&end
#
# 120 SER HN 119 LYS HN 5.50 (# 916:10 Preassigned 4.34, 4.51 A)
&rst
ixpk= 916, nxpk= 10, iat=1894,1872, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 119 LYS HE+ 119 LYS HN 5.50 (# 917:10 Preassigned 2.97, 5.16 A)
&rst
ixpk= 917, nxpk= 10, iat= -1,1872, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1885,1886,
&end
#
# 125 ALA HN 127 VAL HN 5.50 (# 918:10 Preassigned 4.21, 4.37 A)
&rst
ixpk= 918, nxpk= 10, iat=1978,1998, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 128 TYR HN 127 VAL HN 4.00 (# 919:10 Preassigned 2.72, 2.79 A)
&rst
ixpk= 919, nxpk= 10, iat=2014,1998, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 126 ALA HN 127 VAL HN 4.00 (# 920:10 Preassigned 2.72, 2.81 A)
&rst
ixpk= 920, nxpk= 10, iat=1988,1998, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 0 AMB 10-2:921 127 VAL HN 5.50 (# 921:10 Single Ambig )
&rst
ixpk= 921, nxpk= 10, iat= -1,1998, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1990,1980,
&end
#
# 0 AMB 10-2:922 127 VAL HN 5.50 (# 922:10 Single Ambig )
&rst
ixpk= 922, nxpk= 10, iat= -1,1998, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1946,1823,
&end
#
# 127 VAL HA 127 VAL HN 4.00 (# 923:10 Preassigned 2.83, 2.85 A)
&rst
ixpk= 923, nxpk= 10, iat=2000,1998, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 128 TYR HB+ 127 VAL HN 6.00 (# 924:10 Preassigned 4.73, 5.04 A)
&rst
ixpk= 924, nxpk= 10, iat= -1,1998, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=2018,2019,
&end
#
# 127 VAL HB 127 VAL HN 4.00 (# 925:10 Preassigned 2.26, 2.75 A)
&rst
ixpk= 925, nxpk= 10, iat=2002,1998, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 126 ALA MB 127 VAL HN 4.00 (# 926:10 Preassigned 2.45, 3.31 A)
&rst
ixpk= 926, nxpk= 10, iat= -1,1998, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1=1992,1993,1994,
&end
#
# 0 AMB 10-2:927 127 VAL HN 4.00 (# 927:10 Single Ambig )
&rst
ixpk= 927, nxpk= 10, iat= -1,1998, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1=2004,2005,2006,2008,2009,2010,2004,2005,2006,2008,
2009,2010,
&end
#
# 144 ALA HN 145 GLU HN 4.00 (# 929:10 Preassigned 2.25, 2.83 A)
&rst
ixpk= 929, nxpk= 10, iat=2282,2292, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 145 GLU HA 145 GLU HN 4.00 (# 930:10 Preassigned 2.20, 2.66 A)
&rst
ixpk= 930, nxpk= 10, iat=2294,2292, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 144 ALA HA 145 GLU HN 2.80 (# 931:10 Preassigned 2.14, 2.90 A)
&rst
ixpk= 931, nxpk= 10, iat=2284,2292, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 145 GLU HB+ 145 GLU HN 4.00 (# 933:10 Preassigned 2.43, 3.13 A)
&rst
ixpk= 933, nxpk= 10, iat= -1,2292, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=2296,2297,
&end
#
# 145 GLU HB- 145 GLU HN 2.80 (# 934:10 Preassigned 2.43, 3.13 A)
&rst
ixpk= 934, nxpk= 10, iat= -1,2292, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2296,2297,
&end
#
# 144 ALA MB 145 GLU HN 4.00 (# 935:10 Preassigned 1.87, 4.02 A)
&rst
ixpk= 935, nxpk= 10, iat= -1,2292, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1=2286,2287,2288,
&end
#
# 3 ASN HN 2 PHE HN 5.50 (# 936:10 Preassigned 2.77, 3.84 A)
&rst
ixpk= 936, nxpk= 10, iat= 41, 21, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 2 PHE HD 2 PHE HN 5.50 (# 937:10 Preassigned 2.26, 3.45 A)
&rst
ixpk= 937, nxpk= 10, iat= -1, 21, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 29, 37,
&end
#
# 1 MET HA 2 PHE HN 5.50 (# 938:10 Preassigned 2.12, 2.31 A)
&rst
ixpk= 938, nxpk= 10, iat= 6, 21, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 94 ALA HA 94 ALA HN 5.50 (# 940:10 Preassigned 2.94, 2.97 A)
&rst
ixpk= 940, nxpk= 10, iat=1474,1472, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:941 94 ALA HN 4.00 (# 941:10 Single Ambig )
&rst
ixpk= 941, nxpk= 10, iat= -1,1472, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1431,1412,
&end
#
# 95 PRO HD- 94 ALA HN 5.50 (# 942:10 Preassigned 2.96, 3.69 A)
&rst
ixpk= 942, nxpk= 10, iat= -1,1472, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1483,1484,
&end
#
# 95 PRO HD+ 94 ALA HN 5.50 (# 943:10 Preassigned 2.96, 3.69 A)
&rst
ixpk= 943, nxpk= 10, iat= -1,1472, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1483,1484,
&end
#
# 93 MET HG- 94 ALA HN 5.50 (# 944:10 Preassigned 2.67, 4.75 A)
&rst
ixpk= 944, nxpk= 10, iat= -1,1472, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1462,1463,
&end
#
# 93 MET HB- 94 ALA HN 5.50 (# 945:10 Preassigned 2.73, 3.37 A)
&rst
ixpk= 945, nxpk= 10, iat= -1,1472, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1459,1460,
&end
#
# 94 ALA MB 94 ALA HN 4.00 (# 947:10 Preassigned 2.64, 3.30 A)
&rst
ixpk= 947, nxpk= 10, iat= -1,1472, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1=1476,1477,1478,
&end
#
# 74 ARG HN 72 LEU HN 5.50 (# 949:10 Preassigned 4.06, 4.20 A)
&rst
ixpk= 949, nxpk= 10, iat=1115,1085, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:950 0 AMB 10-1:950 4.00 (# 950:10 Double Ambig )
&rst
ixpk= 950, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=1061, 682,
igr2=1085, 928,
&end
#
# 69 SER HN 72 LEU HN 5.50 (# 951:10 Unique 3.11, 3.31 A)
&rst
ixpk= 951, nxpk= 10, iat=1026,1085, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:953 0 AMB 10-1:953 4.00 (# 953:10 Double Ambig )
&rst
ixpk= 953, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1= 923, 924,1087,
igr2= 928,1085,
&end
#
# 0 AMB 10-2:954 72 LEU HN 5.50 (# 954:10 Single Ambig )
&rst
ixpk= 954, nxpk= 10, iat= -1,1085, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1063,1106,
&end
#
# 71 ARG HB- 72 LEU HN 4.00 (# 956:10 Preassigned 2.47, 3.37 A)
&rst
ixpk= 956, nxpk= 10, iat= -1,1085, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1065,1066,
&end
#
# 45 ALA MB 63 HIS HN 5.50 (# 957:10 Preassigned 3.86, 5.41 A)
&rst
ixpk= 957, nxpk= 10, iat= -1, 928, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 686, 687, 688,
&end
#
# 72 LEU MDY 72 LEU HN 5.50 (# 958:10 Preassigned 2.54, 4.34 A)
&rst
ixpk= 958, nxpk= 10, iat= -1,1085, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1094,1095,1096,1098,1099,1100,
&end
#
# 72 LEU MDX 72 LEU HN 5.50 (# 959:10 Preassigned 2.54, 4.34 A)
&rst
ixpk= 959, nxpk= 10, iat= -1,1085, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1094,1095,1096,1098,1099,1100,
&end
#
# 62 GLY HN 63 HIS HN 4.00 (# 960:10 Preassigned 2.35, 2.99 A)
&rst
ixpk= 960, nxpk= 10, iat= 921, 928, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 63 HIS HD2 63 HIS HN 5.50 (# 961:10 Preassigned 4.51, 4.89 A)
&rst
ixpk= 961, nxpk= 10, iat= 941, 928, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 63 HIS HA 63 HIS HN 4.00 (# 962:10 Preassigned 2.81, 2.92 A)
&rst
ixpk= 962, nxpk= 10, iat= 930, 928, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 62 GLY HA- 63 HIS HN 4.00 (# 963:10 Preassigned 2.14, 3.09 A)
&rst
ixpk= 963, nxpk= 10, iat= -1, 928, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 923, 924,
&end
#
# 63 HIS HB+ 63 HIS HN 2.80 (# 964:10 Preassigned 2.34, 2.83 A)
&rst
ixpk= 964, nxpk= 10, iat= -1, 928, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 932, 933,
&end
#
# 63 HIS HB- 63 HIS HN 2.80 (# 965:10 Preassigned 2.34, 2.83 A)
&rst
ixpk= 965, nxpk= 10, iat= -1, 928, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 932, 933,
&end
#
# 0 AMB 10-2:966 72 LEU HN 4.00 (# 966:10 Single Ambig )
&rst
ixpk= 966, nxpk= 10, iat= -1,1085, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=1089,1090,1065,1066,
&end
#
# 71 ARG HG+ 72 LEU HN 5.50 (# 967:10 Preassigned 2.39, 4.23 A)
&rst
ixpk= 967, nxpk= 10, iat= -1,1085, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1068,1069,
&end
#
# 2 PHE HN 3 ASN HN 5.50 (# 968:10 Preassigned 2.77, 3.84 A)
&rst
ixpk= 968, nxpk= 10, iat= 21, 41, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 3 ASN HD2+ 3 ASN HN 5.50 (# 969:10 Preassigned 4.35, 5.19 A)
&rst
ixpk= 969, nxpk= 10, iat= -1, 41, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 50, 51,
&end
#
# 2 PHE HD 3 ASN HN 5.50 (# 970:10 Preassigned 3.87, 5.16 A)
&rst
ixpk= 970, nxpk= 10, iat= -1, 41, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 29, 37,
&end
#
# 0 AMB 10-2:971 119 LYS HN 5.50 (# 971:10 Single Ambig )
&rst
ixpk= 971, nxpk= 10, iat= -1,1872, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1896,1898,1899,
&end
#
# 101 VAL HA 100 LYS HN 6.00 (# 972:10 Preassigned 4.54, 4.95 A)
&rst
ixpk= 972, nxpk= 10, iat=1583,1559, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 128 TYR HB- 127 VAL HN 6.00 (# 973:10 Preassigned 4.73, 5.04 A)
&rst
ixpk= 973, nxpk= 10, iat= -1,1998, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=2018,2019,
&end
#
# 141 ALA MB 145 GLU HN 5.50 (# 974:10 Preassigned 4.65, 6.56 A)
&rst
ixpk= 974, nxpk= 10, iat= -1,2292, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=2243,2244,2245,
&end
#
# 2 PHE HB+ 2 PHE HN 5.50 (# 975:10 Preassigned 2.50, 3.15 A)
&rst
ixpk= 975, nxpk= 10, iat= -1, 21, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 25, 26,
&end
#
# 2 PHE HA 2 PHE HN 4.00 (# 976:10 Preassigned 2.68, 2.82 A)
&rst
ixpk= 976, nxpk= 10, iat= 23, 21, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 2 PHE HB- 2 PHE HN 4.00 (# 977:10 Preassigned 2.50, 3.15 A)
&rst
ixpk= 977, nxpk= 10, iat= -1, 21, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 25, 26,
&end
#
# 1 MET HG- 2 PHE HN 6.00 (# 978:10 Preassigned 2.29, 3.67 A)
&rst
ixpk= 978, nxpk= 10, iat= -1, 21, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 11, 12,
&end
#
# 1 MET HB+ 2 PHE HN 4.00 (# 979:10 Preassigned 2.02, 3.93 A)
&rst
ixpk= 979, nxpk= 10, iat= -1, 21, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 8, 9,
&end
#
# 142 LEU MDY 2 PHE HN 5.50 (# 980:10 Preassigned 4.11, 6.25 A)
&rst
ixpk= 980, nxpk= 10, iat= -1, 21, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2258,2259,2260,2262,2263,2264,
&end
#
# 86 HIS HN 83 GLU HN 5.50 (# 981:10 Preassigned 3.51, 3.79 A)
&rst
ixpk= 981, nxpk= 10, iat=1335,1274, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 81 THR HB 83 GLU HN 5.50 (# 982:10 Preassigned 2.78, 4.54 A)
&rst
ixpk= 982, nxpk= 10, iat=1247,1274, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 83 GLU HB+ 83 GLU HN 5.50 (# 983:10 Preassigned 2.62, 3.34 A)
&rst
ixpk= 983, nxpk= 10, iat= -1,1274, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1278,1279,
&end
#
# 81 THR MG2 83 GLU HN 5.50 (# 984:10 Preassigned 2.65, 4.37 A)
&rst
ixpk= 984, nxpk= 10, iat= -1,1274, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1249,1250,1251,
&end
#
# 87 ILE QD1 83 GLU HN 7.00 (# 985:10 Preassigned 4.74, 5.87 A)
&rst
ixpk= 985, nxpk= 10, iat= -1,1274, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1=1365,1366,1367,
&end
#
# 135 ALA HN 133 ARG HN 6.00 (# 986:10 Preassigned 3.97, 4.16 A)
&rst
ixpk= 986, nxpk= 10, iat=2137,2102, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 132 GLU HN 133 ARG HN 5.50 (# 987:10 Preassigned 2.55, 2.68 A)
&rst
ixpk= 987, nxpk= 10, iat=2087,2102, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 136 ARG HN 133 ARG HN 6.00 (# 988:10 Preassigned 4.75, 4.83 A)
&rst
ixpk= 988, nxpk= 10, iat=2147,2102, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:991 133 ARG HN 4.00 (# 991:10 Single Ambig )
&rst
ixpk= 991, nxpk= 10, iat= -1,2102, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=2051,2070,
&end
#
# 133 ARG HA 133 ARG HN 4.00 (# 992:10 Preassigned 2.81, 2.86 A)
&rst
ixpk= 992, nxpk= 10, iat=2104,2102, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 133 ARG HD- 133 ARG HN 7.00 (# 993:10 Preassigned 3.79, 5.05 A)
&rst
ixpk= 993, nxpk= 10, iat= -1,2102, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=2112,2113,
&end
#
# 131 LEU HN 133 ARG HN 5.50 (# 994:10 Preassigned 4.31, 4.46 A)
&rst
ixpk= 994, nxpk= 10, iat=2068,2102, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 134 SER HN 133 ARG HN 4.00 (# 995:10 Preassigned 2.59, 2.82 A)
&rst
ixpk= 995, nxpk= 10, iat=2126,2102, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 134 SER HA 133 ARG HN 6.00 (# 996:10 Preassigned 5.14, 5.36 A)
&rst
ixpk= 996, nxpk= 10, iat=2128,2102, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 134 SER HB+ 133 ARG HN 6.00 (# 997:10 Preassigned 4.76, 5.63 A)
&rst
ixpk= 997, nxpk= 10, iat= -1,2102, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=2130,2131,
&end
#
# 133 ARG HD+ 133 ARG HN 7.00 (# 998:10 Preassigned 3.79, 5.05 A)
&rst
ixpk= 998, nxpk= 10, iat= -1,2102, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=2112,2113,
&end
#
# 132 GLU HG+ 133 ARG HN 5.50 (# 999:10 Preassigned 3.45, 4.46 A)
&rst
ixpk= 999, nxpk= 10, iat= -1,2102, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2094,2095,
&end
#
# 132 GLU HG- 133 ARG HN 5.50 (# 1000:10 Preassigned 3.45, 4.46 A)
&rst
ixpk= 1000, nxpk= 10, iat= -1,2102, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2094,2095,
&end
#
# 133 ARG HG+ 133 ARG HN 5.50 (# 1002:10 Preassigned 2.22, 4.00 A)
&rst
ixpk= 1002, nxpk= 10, iat= -1,2102, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2109,2110,
&end
#
# 132 GLU HB- 133 ARG HN 4.00 (# 1003:10 Preassigned 2.65, 3.40 A)
&rst
ixpk= 1003, nxpk= 10, iat= -1,2102, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=2091,2092,
&end
#
# 133 ARG HG- 133 ARG HN 5.50 (# 1004:10 Preassigned 2.22, 4.00 A)
&rst
ixpk= 1004, nxpk= 10, iat= -1,2102, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2109,2110,
&end
#
# 129 THR MG2 133 ARG HN 6.00 (# 1005:10 Preassigned 4.32, 5.27 A)
&rst
ixpk= 1005, nxpk= 10, iat= -1,2102, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1=2041,2042,2043,
&end
#
# 44 GLY HA+ 63 HIS HN 5.50 (# 1006:10 Preassigned 4.27, 5.26 A)
&rst
ixpk= 1006, nxpk= 10, iat= -1, 928, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 677, 678,
&end
#
# 89 ARG HN 87 ILE HN 5.50 (# 1007:10 Preassigned 4.24, 4.39 A)
&rst
ixpk= 1007, nxpk= 10, iat=1386,1352, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 5 ILE HN 4 ASN HN 5.50 (# 1009:10 Preassigned 2.81, 4.02 A)
&rst
ixpk= 1009, nxpk= 10, iat= 69, 55, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 3 ASN HD2- 4 ASN HN 6.00 (# 1010:10 Preassigned 5.45, 5.88 A)
&rst
ixpk= 1010, nxpk= 10, iat= -1, 55, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 50, 51,
&end
#
# 4 ASN HD2- 4 ASN HN 6.00 (# 1011:10 Preassigned 2.65, 4.83 A)
&rst
ixpk= 1011, nxpk= 10, iat= -1, 55, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 64, 65,
&end
#
# 5 ILE QD1 4 ASN HN 5.50 (# 1012:10 Preassigned 2.04, 5.39 A)
&rst
ixpk= 1012, nxpk= 10, iat= -1, 55, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 82, 83, 84,
&end
#
# 4 ASN HD2+ 4 ASN HN 7.00 (# 1013:10 Preassigned 2.65, 4.83 A)
&rst
ixpk= 1013, nxpk= 10, iat= -1, 55, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 64, 65,
&end
#
# 76 TYR HA 4 ASN HN 6.00 (# 1014:10 Preassigned 4.10, 4.70 A)
&rst
ixpk= 1014, nxpk= 10, iat=1155, 55, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 77 ASP HB+ 4 ASN HN 5.50 (# 1015:10 Preassigned 1.78, 3.18 A)
&rst
ixpk= 1015, nxpk= 10, iat= -1, 55, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1178,1179,
&end
#
# 2 PHE HB- 3 ASN HN 5.50 (# 1016:10 Preassigned 2.31, 3.77 A)
&rst
ixpk= 1016, nxpk= 10, iat= -1, 41, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 25, 26,
&end
#
# 48 THR HN 50 ILE HN 5.50 (# 1017:10 Preassigned 3.72, 3.80 A)
&rst
ixpk= 1017, nxpk= 10, iat= 718, 742, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1018 50 ILE HN 5.50 (# 1018:10 Single Ambig )
&rst
ixpk= 1018, nxpk= 10, iat= -1, 742, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 692, 772,
&end
#
# 51 SER HN 50 ILE HN 4.00 (# 1019:10 Preassigned 2.83, 2.87 A)
&rst
ixpk= 1019, nxpk= 10, iat= 761, 742, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 49 ALA HN 50 ILE HN 4.00 (# 1020:10 Preassigned 2.52, 2.59 A)
&rst
ixpk= 1020, nxpk= 10, iat= 732, 742, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 47 PRO HA 50 ILE HN 4.00 (# 1021:10 Preassigned 3.09, 3.33 A)
&rst
ixpk= 1021, nxpk= 10, iat= 714, 742, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 51 SER HB- 50 ILE HN 6.00 (# 1022:10 Preassigned 5.06, 5.75 A)
&rst
ixpk= 1022, nxpk= 10, iat= -1, 742, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 765, 766,
&end
#
# 0 AMB 10-2:1023 50 ILE HN 5.50 (# 1023:10 Single Ambig )
&rst
ixpk= 1023, nxpk= 10, iat= -1, 742, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 720, 705, 706,
&end
#
# 50 ILE HA 50 ILE HN 5.50 (# 1024:10 Preassigned 2.80, 2.82 A)
&rst
ixpk= 1024, nxpk= 10, iat= 744, 742, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 46 ASP HB+ 50 ILE HN 5.50 (# 1025:10 Preassigned 3.77, 4.97 A)
&rst
ixpk= 1025, nxpk= 10, iat= -1, 742, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 696, 697,
&end
#
# 46 ASP HB- 50 ILE HN 5.50 (# 1026:10 Preassigned 3.77, 4.97 A)
&rst
ixpk= 1026, nxpk= 10, iat= -1, 742, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 696, 697,
&end
#
# 0 AMB 10-2:1027 50 ILE HN 5.50 (# 1027:10 Single Ambig )
&rst
ixpk= 1027, nxpk= 10, iat= -1, 742, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 711, 712, 776,
&end
#
# 50 ILE HB 50 ILE HN 2.80 (# 1028:10 Preassigned 2.30, 2.51 A)
&rst
ixpk= 1028, nxpk= 10, iat= 746, 742, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 50 ILE HG1+ 50 ILE HN 2.80 (# 1029:10 Preassigned 2.09, 2.88 A)
&rst
ixpk= 1029, nxpk= 10, iat= -1, 742, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 752, 753,
&end
#
# 45 ALA MB 50 ILE HN 5.50 (# 1030:10 Preassigned 3.96, 5.14 A)
&rst
ixpk= 1030, nxpk= 10, iat= -1, 742, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 686, 687, 688,
&end
#
# 0 AMB 10-2:1031 50 ILE HN 5.50 (# 1031:10 Single Ambig )
&rst
ixpk= 1031, nxpk= 10, iat= -1, 742, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 748, 749, 750, 778, 779, 780, 782, 783, 784,
&end
#
# 50 ILE QD1 50 ILE HN 4.00 (# 1032:10 Preassigned 3.78, 4.39 A)
&rst
ixpk= 1032, nxpk= 10, iat= -1, 742, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1= 755, 756, 757,
&end
#
# 50 ILE HG1- 50 ILE HN 4.00 (# 1033:10 Preassigned 2.09, 2.88 A)
&rst
ixpk= 1033, nxpk= 10, iat= -1, 742, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 752, 753,
&end
#
# 0 AMB 10-2:1034 50 ILE HN 5.50 (# 1034:10 Single Ambig )
&rst
ixpk= 1034, nxpk= 10, iat= -1, 742, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 896, 897, 898, 900, 901, 902, 896, 897, 898, 900,
901, 902,
&end
#
# 100 LYS HD+ 100 LYS HN 5.50 (# 1035:10 Preassigned 2.71, 4.46 A)
&rst
ixpk= 1035, nxpk= 10, iat= -1,1559, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1569,1570,
&end
#
# 0 AMB 10-2:1036 100 LYS HN 5.50 (# 1036:10 Single Ambig )
&rst
ixpk= 1036, nxpk= 10, iat= -1,1559, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1587,1588,1589,1591,1592,1593,1587,1588,1589,1591,
1592,1593,
&end
#
# 81 THR HA 82 MET HN 4.00 (# 1038:10 Preassigned 2.23, 2.47 A)
&rst
ixpk= 1038, nxpk= 10, iat=1245,1257, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 81 THR HB 82 MET HN 4.00 (# 1040:10 Preassigned 2.46, 3.62 A)
&rst
ixpk= 1040, nxpk= 10, iat=1247,1257, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 82 MET HG- 82 MET HN 5.50 (# 1042:10 Preassigned 2.27, 3.65 A)
&rst
ixpk= 1042, nxpk= 10, iat= -1,1257, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1264,1265,
&end
#
# 81 THR MG2 82 MET HN 5.50 (# 1043:10 Preassigned 2.84, 4.44 A)
&rst
ixpk= 1043, nxpk= 10, iat= -1,1257, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1249,1250,1251,
&end
#
# 82 MET HA 82 MET HN 5.50 (# 1044:10 Preassigned 2.86, 2.95 A)
&rst
ixpk= 1044, nxpk= 10, iat=1259,1257, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1045 82 MET HN 7.00 (# 1045:10 Single Ambig )
&rst
ixpk= 1045, nxpk= 10, iat= -1,1257, r1= 0.00, r2= 1.80, r3=10.10, r4=10.85,
igr1= 129, 130, 131, 133, 134, 135,1365,1366,1367,
&end
#
# 84 LYS HN 83 GLU HN 6.00 (# 1046:10 Preassigned 4.29, 4.39 A)
&rst
ixpk= 1046, nxpk= 10, iat=1289,1274, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 82 MET HN 83 GLU HN 4.00 (# 1047:10 Preassigned 2.18, 2.56 A)
&rst
ixpk= 1047, nxpk= 10, iat=1257,1274, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 86 HIS HD2 83 GLU HN 5.50 (# 1048:10 Preassigned 2.33, 3.40 A)
&rst
ixpk= 1048, nxpk= 10, iat=1348,1274, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 81 THR HA 83 GLU HN 5.50 (# 1049:10 Preassigned 4.22, 4.53 A)
&rst
ixpk= 1049, nxpk= 10, iat=1245,1274, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 82 MET HA 83 GLU HN 5.50 (# 1050:10 Preassigned 3.29, 3.45 A)
&rst
ixpk= 1050, nxpk= 10, iat=1259,1274, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 83 GLU HA 83 GLU HN 5.50 (# 1052:10 Preassigned 2.93, 2.96 A)
&rst
ixpk= 1052, nxpk= 10, iat=1276,1274, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 86 HIS HB- 83 GLU HN 4.00 (# 1054:10 Preassigned 2.55, 3.66 A)
&rst
ixpk= 1054, nxpk= 10, iat= -1,1274, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1339,1340,
&end
#
# 86 HIS HB+ 83 GLU HN 5.50 (# 1055:10 Preassigned 2.55, 3.66 A)
&rst
ixpk= 1055, nxpk= 10, iat= -1,1274, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1339,1340,
&end
#
# 0 AMB 10-2:1056 83 GLU HN 5.50 (# 1056:10 Single Ambig )
&rst
ixpk= 1056, nxpk= 10, iat= -1,1274, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1261,1262,1261,1262,
&end
#
# 82 MET HG+ 83 GLU HN 5.50 (# 1057:10 Preassigned 4.66, 5.36 A)
&rst
ixpk= 1057, nxpk= 10, iat= -1,1274, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1264,1265,
&end
#
# 82 MET HG- 83 GLU HN 5.50 (# 1058:10 Preassigned 4.66, 5.36 A)
&rst
ixpk= 1058, nxpk= 10, iat= -1,1274, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1264,1265,
&end
#
# 83 GLU HG+ 83 GLU HN 5.50 (# 1059:10 Preassigned 2.44, 3.77 A)
&rst
ixpk= 1059, nxpk= 10, iat= -1,1274, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1281,1282,
&end
#
# 103 LEU MDX 83 GLU HN 6.00 (# 1060:10 Preassigned 2.90, 5.06 A)
&rst
ixpk= 1060, nxpk= 10, iat= -1,1274, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1623,1624,1625,1627,1628,1629,
&end
#
# 103 LEU MDY 83 GLU HN 5.50 (# 1061:10 Preassigned 2.90, 5.06 A)
&rst
ixpk= 1061, nxpk= 10, iat= -1,1274, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1623,1624,1625,1627,1628,1629,
&end
#
# 83 GLU HG- 83 GLU HN 5.50 (# 1062:10 Preassigned 2.44, 3.77 A)
&rst
ixpk= 1062, nxpk= 10, iat= -1,1274, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1281,1282,
&end
#
# 83 GLU HB- 83 GLU HN 5.50 (# 1063:10 Preassigned 2.62, 3.34 A)
&rst
ixpk= 1063, nxpk= 10, iat= -1,1274, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1278,1279,
&end
#
# 94 ALA HN 92 GLU HN 5.50 (# 1064:10 Preassigned 3.92, 4.14 A)
&rst
ixpk= 1064, nxpk= 10, iat=1472,1440, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 88 GLU HN 87 ILE HN 4.00 (# 1065:10 Preassigned 2.58, 2.77 A)
&rst
ixpk= 1065, nxpk= 10, iat=1371,1352, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 86 HIS HN 87 ILE HN 4.00 (# 1066:10 Preassigned 2.41, 2.48 A)
&rst
ixpk= 1066, nxpk= 10, iat=1335,1352, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 86 HIS HA 87 ILE HN 5.50 (# 1067:10 Preassigned 3.58, 3.63 A)
&rst
ixpk= 1067, nxpk= 10, iat=1337,1352, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1068 87 ILE HN 5.50 (# 1068:10 Single Ambig )
&rst
ixpk= 1068, nxpk= 10, iat= -1,1352, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1247,1313,
&end
#
# 88 GLU HA 87 ILE HN 6.00 (# 1069:10 Preassigned 5.23, 5.37 A)
&rst
ixpk= 1069, nxpk= 10, iat=1373,1352, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 86 HIS HB- 87 ILE HN 5.50 (# 1070:10 Preassigned 2.59, 3.35 A)
&rst
ixpk= 1070, nxpk= 10, iat= -1,1352, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1339,1340,
&end
#
# 87 ILE HA 87 ILE HN 5.50 (# 1071:10 Preassigned 2.78, 2.84 A)
&rst
ixpk= 1071, nxpk= 10, iat=1354,1352, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 86 HIS HB+ 87 ILE HN 5.50 (# 1072:10 Preassigned 2.59, 3.35 A)
&rst
ixpk= 1072, nxpk= 10, iat= -1,1352, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1339,1340,
&end
#
# 87 ILE HB 87 ILE HN 2.80 (# 1073:10 Preassigned 2.56, 2.64 A)
&rst
ixpk= 1073, nxpk= 10, iat=1356,1352, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:1074 87 ILE HN 5.50 (# 1074:10 Single Ambig )
&rst
ixpk= 1074, nxpk= 10, iat= -1,1352, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1393,1394,1585,
&end
#
# 87 ILE HG1+ 87 ILE HN 4.00 (# 1075:10 Preassigned 2.01, 2.91 A)
&rst
ixpk= 1075, nxpk= 10, iat= -1,1352, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1362,1363,
&end
#
# 87 ILE QD1 87 ILE HN 4.00 (# 1077:10 Preassigned 3.04, 4.15 A)
&rst
ixpk= 1077, nxpk= 10, iat= -1,1352, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1=1365,1366,1367,
&end
#
# 87 ILE HG1- 87 ILE HN 4.00 (# 1078:10 Preassigned 2.01, 2.91 A)
&rst
ixpk= 1078, nxpk= 10, iat= -1,1352, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1362,1363,
&end
#
# 103 LEU MDY 87 ILE HN 5.50 (# 1079:10 Preassigned 4.05, 6.14 A)
&rst
ixpk= 1079, nxpk= 10, iat= -1,1352, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1623,1624,1625,1627,1628,1629,
&end
#
# 84 LYS HA 87 ILE HN 5.50 (# 1080:10 Preassigned 2.80, 2.94 A)
&rst
ixpk= 1080, nxpk= 10, iat=1291,1352, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 81 THR MG2 87 ILE HN 5.50 (# 1082:10 Preassigned 2.85, 4.27 A)
&rst
ixpk= 1082, nxpk= 10, iat= -1,1352, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1249,1250,1251,
&end
#
# 105 GLY HN 111 CYS HN 6.00 (# 1083:10 Preassigned 4.25, 5.55 A)
&rst
ixpk= 1083, nxpk= 10, iat=1653,1742, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 112 GLU HN 111 CYS HN 5.50 (# 1084:10 Preassigned 4.05, 4.51 A)
&rst
ixpk= 1084, nxpk= 10, iat=1753,1742, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 105 GLY HA+ 111 CYS HN 5.50 (# 1086:10 Preassigned 2.49, 3.91 A)
&rst
ixpk= 1086, nxpk= 10, iat= -1,1742, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1655,1656,
&end
#
# 105 GLY HA- 111 CYS HN 5.50 (# 1087:10 Preassigned 2.49, 3.91 A)
&rst
ixpk= 1087, nxpk= 10, iat= -1,1742, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1655,1656,
&end
#
# 106 HIS HA 111 CYS HN 5.50 (# 1088:10 Preassigned 3.77, 4.94 A)
&rst
ixpk= 1088, nxpk= 10, iat=1662,1742, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 110 GLU HA 111 CYS HN 2.80 (# 1089:10 Preassigned 2.53, 2.83 A)
&rst
ixpk= 1089, nxpk= 10, iat=1729,1742, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 111 CYS HB- 111 CYS HN 2.80 (# 1090:10 Preassigned 2.40, 2.94 A)
&rst
ixpk= 1090, nxpk= 10, iat= -1,1742, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1746,1747,
&end
#
# 111 CYS HB+ 111 CYS HN 2.80 (# 1091:10 Preassigned 2.40, 2.94 A)
&rst
ixpk= 1091, nxpk= 10, iat= -1,1742, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1746,1747,
&end
#
# 108 ASP HB+ 111 CYS HN 5.50 (# 1092:10 Preassigned 2.90, 4.31 A)
&rst
ixpk= 1092, nxpk= 10, iat= -1,1742, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1705,1706,
&end
#
# 0 AMB 10-2:1093 111 CYS HN 7.00 (# 1093:10 Single Ambig )
&rst
ixpk= 1093, nxpk= 10, iat= -1,1742, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1734,1735,1757,1758,
&end
#
# 0 AMB 10-2:1094 111 CYS HN 4.00 (# 1094:10 Single Ambig )
&rst
ixpk= 1094, nxpk= 10, iat= -1,1742, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=1731,1732,1731,1732,
&end
#
# 103 LEU MDX 111 CYS HN 5.50 (# 1095:10 Preassigned 3.82, 6.51 A)
&rst
ixpk= 1095, nxpk= 10, iat= -1,1742, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1623,1624,1625,1627,1628,1629,
&end
#
# 109 ASN HN 111 CYS HN 5.50 (# 1096:10 Preassigned 2.46, 4.11 A)
&rst
ixpk= 1096, nxpk= 10, iat=1713,1742, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 111 CYS HA 111 CYS HN 4.00 (# 1097:10 Preassigned 2.88, 2.95 A)
&rst
ixpk= 1097, nxpk= 10, iat=1744,1742, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 4 ASN HD2- 77 ASP HN 5.50 (# 1099:10 Preassigned 3.97, 5.21 A)
&rst
ixpk= 1099, nxpk= 10, iat= -1,1174, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 64, 65,
&end
#
# 4 ASN HN 77 ASP HN 5.50 (# 1100:10 Preassigned 3.19, 3.59 A)
&rst
ixpk= 1100, nxpk= 10, iat= 55,1174, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 78 LEU HN 77 ASP HN 2.80 (# 1101:10 Preassigned 1.89, 2.13 A)
&rst
ixpk= 1101, nxpk= 10, iat=1186,1174, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 76 TYR HD 77 ASP HN 5.50 (# 1102:10 Preassigned 3.54, 4.80 A)
&rst
ixpk= 1102, nxpk= 10, iat= -1,1174, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1161,1170,
&end
#
# 5 ILE HA 77 ASP HN 6.00 (# 1103:10 Preassigned 3.26, 3.73 A)
&rst
ixpk= 1103, nxpk= 10, iat= 71,1174, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 77 ASP HA 77 ASP HN 5.50 (# 1104:10 Preassigned 2.95, 2.99 A)
&rst
ixpk= 1104, nxpk= 10, iat=1176,1174, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 76 TYR HA 77 ASP HN 2.80 (# 1105:10 Preassigned 2.29, 2.49 A)
&rst
ixpk= 1105, nxpk= 10, iat=1155,1174, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 77 ASP HB+ 77 ASP HN 5.50 (# 1106:10 Preassigned 2.45, 2.80 A)
&rst
ixpk= 1106, nxpk= 10, iat= -1,1174, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1178,1179,
&end
#
# 76 TYR HB- 77 ASP HN 4.00 (# 1107:10 Preassigned 2.14, 3.03 A)
&rst
ixpk= 1107, nxpk= 10, iat= -1,1174, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1157,1158,
&end
#
# 77 ASP HB- 77 ASP HN 2.80 (# 1108:10 Preassigned 2.45, 2.80 A)
&rst
ixpk= 1108, nxpk= 10, iat= -1,1174, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1178,1179,
&end
#
# 4 ASN HB+ 77 ASP HN 5.50 (# 1109:10 Preassigned 2.33, 3.79 A)
&rst
ixpk= 1109, nxpk= 10, iat= -1,1174, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 59, 60,
&end
#
# 76 TYR HB+ 77 ASP HN 5.50 (# 1110:10 Preassigned 2.14, 3.03 A)
&rst
ixpk= 1110, nxpk= 10, iat= -1,1174, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1157,1158,
&end
#
# 78 LEU HB+ 77 ASP HN 6.00 (# 1111:10 Preassigned 4.26, 4.71 A)
&rst
ixpk= 1111, nxpk= 10, iat= -1,1174, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1190,1191,
&end
#
# 78 LEU HB- 77 ASP HN 6.00 (# 1112:10 Preassigned 4.26, 4.71 A)
&rst
ixpk= 1112, nxpk= 10, iat= -1,1174, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1190,1191,
&end
#
# 49 ALA HN 48 THR HN 2.80 (# 1113:10 Preassigned 2.23, 2.36 A)
&rst
ixpk= 1113, nxpk= 10, iat= 732, 718, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 47 PRO HA 48 THR HN 5.50 (# 1115:10 Preassigned 3.51, 3.57 A)
&rst
ixpk= 1115, nxpk= 10, iat= 714, 718, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 47 PRO HD+ 48 THR HN 5.50 (# 1116:10 Preassigned 2.79, 3.70 A)
&rst
ixpk= 1116, nxpk= 10, iat= -1, 718, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 705, 706,
&end
#
# 0 AMB 10-2:1117 48 THR HN 4.00 (# 1117:10 Single Ambig )
&rst
ixpk= 1117, nxpk= 10, iat= -1, 718, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1= 705, 706, 720,
&end
#
# 48 THR HB 48 THR HN 4.00 (# 1118:10 Preassigned 2.49, 2.74 A)
&rst
ixpk= 1118, nxpk= 10, iat= 722, 718, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 46 ASP HB- 48 THR HN 5.50 (# 1119:10 Preassigned 3.12, 4.03 A)
&rst
ixpk= 1119, nxpk= 10, iat= -1, 718, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 696, 697,
&end
#
# 47 PRO HB+ 48 THR HN 5.50 (# 1120:10 Preassigned 2.89, 3.74 A)
&rst
ixpk= 1120, nxpk= 10, iat= -1, 718, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 711, 712,
&end
#
# 47 PRO HG+ 48 THR HN 5.50 (# 1121:10 Preassigned 2.64, 4.54 A)
&rst
ixpk= 1121, nxpk= 10, iat= -1, 718, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 708, 709,
&end
#
# 47 PRO HB- 48 THR HN 4.00 (# 1122:10 Preassigned 2.89, 3.74 A)
&rst
ixpk= 1122, nxpk= 10, iat= -1, 718, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 711, 712,
&end
#
# 50 ILE HB 48 THR HN 5.50 (# 1123:10 Preassigned 4.65, 4.87 A)
&rst
ixpk= 1123, nxpk= 10, iat= 746, 718, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 49 ALA MB 48 THR HN 4.00 (# 1124:10 Preassigned 4.52, 5.10 A)
&rst
ixpk= 1124, nxpk= 10, iat= -1, 718, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1= 736, 737, 738,
&end
#
# 48 THR MG2 48 THR HN 5.50 (# 1125:10 Preassigned 4.25, 4.52 A)
&rst
ixpk= 1125, nxpk= 10, iat= -1, 718, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 724, 725, 726,
&end
#
# 50 ILE HN 48 THR HN 5.50 (# 1126:10 Preassigned 3.72, 3.80 A)
&rst
ixpk= 1126, nxpk= 10, iat= 742, 718, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 77 ASP HN 4 ASN HN 5.50 (# 1127:10 Preassigned 3.19, 3.59 A)
&rst
ixpk= 1127, nxpk= 10, iat=1174, 55, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1128 4 ASN HN 5.50 (# 1128:10 Single Ambig )
&rst
ixpk= 1128, nxpk= 10, iat= -1, 55, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 23,1176,
&end
#
# 4 ASN HA 4 ASN HN 5.50 (# 1129:10 Preassigned 2.89, 2.94 A)
&rst
ixpk= 1129, nxpk= 10, iat= 57, 55, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 4 ASN HB- 4 ASN HN 4.00 (# 1130:10 Preassigned 2.60, 3.41 A)
&rst
ixpk= 1130, nxpk= 10, iat= -1, 55, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 59, 60,
&end
#
# 0 AMB 10-2:1131 4 ASN HN 4.00 (# 1131:10 Single Ambig )
&rst
ixpk= 1131, nxpk= 10, iat= -1, 55, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1= 45, 46, 45, 46,
&end
#
# 4 ASN HB+ 4 ASN HN 5.50 (# 1132:10 Preassigned 2.60, 3.41 A)
&rst
ixpk= 1132, nxpk= 10, iat= -1, 55, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 59, 60,
&end
#
# 83 GLU HN 82 MET HN 4.00 (# 1133:10 Preassigned 2.18, 2.56 A)
&rst
ixpk= 1133, nxpk= 10, iat=1274,1257, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 0 AMB 10-2:1134 82 MET HN 5.50 (# 1134:10 Single Ambig )
&rst
ixpk= 1134, nxpk= 10, iat= -1,1257, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1261,1262,1261,1262,
&end
#
# 82 MET HG+ 82 MET HN 5.50 (# 1135:10 Preassigned 2.27, 3.65 A)
&rst
ixpk= 1135, nxpk= 10, iat= -1,1257, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1264,1265,
&end
#
# 136 ARG HN 137 GLN HN 4.00 (# 1136:10 Preassigned 2.55, 2.60 A)
&rst
ixpk= 1136, nxpk= 10, iat=2147,2171, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 137 GLN HE2+ 137 GLN HN 5.50 (# 1137:10 Preassigned 5.20, 5.78 A)
&rst
ixpk= 1137, nxpk= 10, iat= -1,2171, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2183,2184,
&end
#
# 136 ARG HA 137 GLN HN 5.50 (# 1138:10 Preassigned 3.52, 3.54 A)
&rst
ixpk= 1138, nxpk= 10, iat=2149,2171, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 137 GLN HG+ 137 GLN HN 4.00 (# 1140:10 Preassigned 2.45, 2.96 A)
&rst
ixpk= 1140, nxpk= 10, iat= -1,2171, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=2178,2179,
&end
#
# 0 AMB 10-2:1141 0 AMB 10-1:1141 2.80 (# 1141:10 Double Ambig )
&rst
ixpk= 1141, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=2175,2176,1447,1448,
igr2=2171,1440,
&end
#
# 137 GLN HG- 137 GLN HN 4.00 (# 1142:10 Preassigned 2.45, 2.96 A)
&rst
ixpk= 1142, nxpk= 10, iat= -1,2171, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=2178,2179,
&end
#
# 136 ARG HB- 137 GLN HN 4.00 (# 1143:10 Preassigned 2.46, 3.40 A)
&rst
ixpk= 1143, nxpk= 10, iat= -1,2171, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=2151,2152,
&end
#
# 136 ARG HG+ 137 GLN HN 7.00 (# 1144:10 Preassigned 2.70, 4.24 A)
&rst
ixpk= 1144, nxpk= 10, iat= -1,2171, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=2154,2155,
&end
#
# 91 CYS HN 92 GLU HN 2.80 (# 1145:10 Preassigned 2.65, 2.73 A)
&rst
ixpk= 1145, nxpk= 10, iat=1429,1440, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 93 MET HN 92 GLU HN 2.80 (# 1146:10 Preassigned 2.37, 2.69 A)
&rst
ixpk= 1146, nxpk= 10, iat=1455,1440, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 92 GLU HA 92 GLU HN 2.80 (# 1147:10 Preassigned 2.81, 2.84 A)
&rst
ixpk= 1147, nxpk= 10, iat=1442,1440, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 92 GLU HB- 92 GLU HN 2.80 (# 1148:10 Preassigned 2.32, 2.61 A)
&rst
ixpk= 1148, nxpk= 10, iat= -1,1440, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1444,1445,
&end
#
# 92 GLU HB+ 92 GLU HN 2.80 (# 1149:10 Preassigned 2.32, 2.61 A)
&rst
ixpk= 1149, nxpk= 10, iat= -1,1440, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1444,1445,
&end
#
# 107 TRP HD1 106 HIS HN 6.00 (# 1150:10 Preassigned 4.07, 4.57 A)
&rst
ixpk= 1150, nxpk= 10, iat=1685,1660, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 104 PHE HN 106 HIS HN 6.00 (# 1151:10 Preassigned 4.24, 4.41 A)
&rst
ixpk= 1151, nxpk= 10, iat=1633,1660, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 138 TRP HE1 106 HIS HN 5.50 (# 1152:10 Preassigned 2.93, 3.83 A)
&rst
ixpk= 1152, nxpk= 10, iat=2198,1660, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 105 GLY HN 106 HIS HN 5.50 (# 1153:10 Preassigned 2.74, 2.94 A)
&rst
ixpk= 1153, nxpk= 10, iat=1653,1660, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 103 LEU HN 106 HIS HN 5.50 (# 1154:10 Preassigned 4.10, 4.57 A)
&rst
ixpk= 1154, nxpk= 10, iat=1614,1660, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 106 HIS HD2 106 HIS HN 5.50 (# 1155:10 Preassigned 3.31, 4.79 A)
&rst
ixpk= 1155, nxpk= 10, iat=1673,1660, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 105 GLY HA+ 106 HIS HN 5.50 (# 1156:10 Preassigned 3.08, 3.36 A)
&rst
ixpk= 1156, nxpk= 10, iat= -1,1660, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1655,1656,
&end
#
# 105 GLY HA- 106 HIS HN 5.50 (# 1157:10 Preassigned 3.08, 3.36 A)
&rst
ixpk= 1157, nxpk= 10, iat= -1,1660, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1655,1656,
&end
#
# 106 HIS HA 106 HIS HN 4.00 (# 1158:10 Preassigned 2.74, 2.81 A)
&rst
ixpk= 1158, nxpk= 10, iat=1662,1660, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 106 HIS HB- 106 HIS HN 2.80 (# 1159:10 Preassigned 2.31, 2.55 A)
&rst
ixpk= 1159, nxpk= 10, iat= -1,1660, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1664,1665,
&end
#
# 106 HIS HB+ 106 HIS HN 4.00 (# 1160:10 Preassigned 2.31, 2.55 A)
&rst
ixpk= 1160, nxpk= 10, iat= -1,1660, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1664,1665,
&end
#
# 103 LEU HB- 106 HIS HN 4.00 (# 1161:10 Preassigned 2.67, 4.15 A)
&rst
ixpk= 1161, nxpk= 10, iat= -1,1660, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1618,1619,
&end
#
# 103 LEU HB+ 106 HIS HN 4.00 (# 1162:10 Preassigned 2.67, 4.15 A)
&rst
ixpk= 1162, nxpk= 10, iat= -1,1660, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1618,1619,
&end
#
# 103 LEU MDX 106 HIS HN 5.50 (# 1163:10 Preassigned 2.57, 5.23 A)
&rst
ixpk= 1163, nxpk= 10, iat= -1,1660, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1623,1624,1625,1627,1628,1629,
&end
#
# 103 LEU MDY 106 HIS HN 6.00 (# 1164:10 Preassigned 2.57, 5.23 A)
&rst
ixpk= 1164, nxpk= 10, iat= -1,1660, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1623,1624,1625,1627,1628,1629,
&end
#
# 103 LEU MDY 111 CYS HN 6.00 (# 1165:10 Preassigned 3.82, 6.51 A)
&rst
ixpk= 1165, nxpk= 10, iat= -1,1742, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1623,1624,1625,1627,1628,1629,
&end
#
# 97 MET HN 96 GLU HN 4.00 (# 1166:10 Preassigned 2.05, 2.69 A)
&rst
ixpk= 1166, nxpk= 10, iat=1511,1496, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 98 ARG HN 96 GLU HN 6.00 (# 1167:10 Preassigned 3.27, 4.27 A)
&rst
ixpk= 1167, nxpk= 10, iat=1528,1496, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:1168 96 GLU HN 7.00 (# 1168:10 Single Ambig )
&rst
ixpk= 1168, nxpk= 10, iat= -1,1496, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1053,1054,1056,1057,
&end
#
# 94 ALA HA 96 GLU HN 5.50 (# 1169:10 Preassigned 3.22, 3.45 A)
&rst
ixpk= 1169, nxpk= 10, iat=1474,1496, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 95 PRO HA 96 GLU HN 5.50 (# 1170:10 Preassigned 3.31, 3.51 A)
&rst
ixpk= 1170, nxpk= 10, iat=1492,1496, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 96 GLU HA 96 GLU HN 4.00 (# 1171:10 Preassigned 2.78, 2.86 A)
&rst
ixpk= 1171, nxpk= 10, iat=1498,1496, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 95 PRO HD- 96 GLU HN 5.50 (# 1172:10 Preassigned 2.79, 3.52 A)
&rst
ixpk= 1172, nxpk= 10, iat= -1,1496, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1483,1484,
&end
#
# 95 PRO HD+ 96 GLU HN 5.50 (# 1173:10 Preassigned 2.79, 3.52 A)
&rst
ixpk= 1173, nxpk= 10, iat= -1,1496, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1483,1484,
&end
#
# 96 GLU HG+ 96 GLU HN 4.00 (# 1174:10 Preassigned 1.92, 3.16 A)
&rst
ixpk= 1174, nxpk= 10, iat= -1,1496, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1503,1504,
&end
#
# 96 GLU HB- 96 GLU HN 4.00 (# 1175:10 Preassigned 2.45, 3.05 A)
&rst
ixpk= 1175, nxpk= 10, iat= -1,1496, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1500,1501,
&end
#
# 0 AMB 10-2:1176 96 GLU HN 2.80 (# 1176:10 Single Ambig )
&rst
ixpk= 1176, nxpk= 10, iat= -1,1496, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1503,1504,1486,1487,
&end
#
# 0 AMB 10-2:1177 96 GLU HN 5.50 (# 1177:10 Single Ambig )
&rst
ixpk= 1177, nxpk= 10, iat= -1,1496, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1535,1536,1532,1533,
&end
#
# 94 ALA MB 96 GLU HN 5.50 (# 1178:10 Preassigned 3.42, 4.69 A)
&rst
ixpk= 1178, nxpk= 10, iat= -1,1496, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1476,1477,1478,
&end
#
# 97 MET HA 96 GLU HN 6.00 (# 1179:10 Preassigned 4.72, 5.31 A)
&rst
ixpk= 1179, nxpk= 10, iat=1513,1496, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 86 HIS HN 85 ARG HN 5.50 (# 1181:10 Preassigned 2.73, 2.81 A)
&rst
ixpk= 1181, nxpk= 10, iat=1335,1311, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 83 GLU HA 85 ARG HN 5.50 (# 1183:10 Preassigned 3.87, 4.18 A)
&rst
ixpk= 1183, nxpk= 10, iat=1276,1311, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 85 ARG HA 85 ARG HN 4.00 (# 1184:10 Preassigned 2.81, 2.84 A)
&rst
ixpk= 1184, nxpk= 10, iat=1313,1311, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 84 LYS HA 85 ARG HN 5.50 (# 1185:10 Preassigned 3.52, 3.56 A)
&rst
ixpk= 1185, nxpk= 10, iat=1291,1311, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 85 ARG HD+ 85 ARG HN 7.00 (# 1186:10 Preassigned 3.21, 4.41 A)
&rst
ixpk= 1186, nxpk= 10, iat= -1,1311, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1321,1322,
&end
#
# 0 AMB 10-2:1187 85 ARG HN 7.00 (# 1187:10 Single Ambig )
&rst
ixpk= 1187, nxpk= 10, iat= -1,1311, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1760,1761,1757,1758,
&end
#
# 0 AMB 10-2:1188 85 ARG HN 4.00 (# 1188:10 Single Ambig )
&rst
ixpk= 1188, nxpk= 10, iat= -1,1311, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=1315,1316,1293,1294,
&end
#
# 0 AMB 10-2:1189 85 ARG HN 2.80 (# 1189:10 Single Ambig )
&rst
ixpk= 1189, nxpk= 10, iat= -1,1311, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1281,1282,1315,1316,
&end
#
# 85 ARG HG- 85 ARG HN 4.00 (# 1190:10 Preassigned 2.11, 2.83 A)
&rst
ixpk= 1190, nxpk= 10, iat= -1,1311, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1318,1319,
&end
#
# 83 GLU HB- 85 ARG HN 5.50 (# 1192:10 Preassigned 2.38, 3.48 A)
&rst
ixpk= 1192, nxpk= 10, iat= -1,1311, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1278,1279,
&end
#
# 96 GLU HN 97 MET HN 5.50 (# 1193:10 Preassigned 2.05, 2.69 A)
&rst
ixpk= 1193, nxpk= 10, iat=1496,1511, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 96 GLU HG+ 97 MET HN 4.00 (# 1194:10 Preassigned 2.68, 3.94 A)
&rst
ixpk= 1194, nxpk= 10, iat= -1,1511, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1503,1504,
&end
#
# 98 ARG HN 97 MET HN 4.00 (# 1195:10 Preassigned 1.96, 2.35 A)
&rst
ixpk= 1195, nxpk= 10, iat=1528,1511, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 95 PRO HA 97 MET HN 5.50 (# 1196:10 Preassigned 3.34, 3.63 A)
&rst
ixpk= 1196, nxpk= 10, iat=1492,1511, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 97 MET HG+ 97 MET HN 4.00 (# 1197:10 Preassigned 2.29, 3.64 A)
&rst
ixpk= 1197, nxpk= 10, iat= -1,1511, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1518,1519,
&end
#
# 0 AMB 10-2:1198 97 MET HN 2.80 (# 1198:10 Single Ambig )
&rst
ixpk= 1198, nxpk= 10, iat= -1,1511, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1515,1516,1503,1504,
&end
#
# 94 ALA MB 97 MET HN 4.00 (# 1199:10 Preassigned 3.10, 4.20 A)
&rst
ixpk= 1199, nxpk= 10, iat= -1,1511, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1=1476,1477,1478,
&end
#
# 30 LEU MDX 27 HIS HN 6.00 (# 1200:10 Preassigned 5.32, 7.71 A)
&rst
ixpk= 1200, nxpk= 10, iat= -1, 429, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 484, 485, 486, 488, 489, 490,
&end
#
# 138 TRP HN 137 GLN HN 4.00 (# 1201:10 Preassigned 2.76, 2.81 A)
&rst
ixpk= 1201, nxpk= 10, iat=2188,2171, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 134 SER HA 137 GLN HN 5.50 (# 1202:10 Preassigned 3.20, 3.37 A)
&rst
ixpk= 1202, nxpk= 10, iat=2128,2171, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 137 GLN HA 137 GLN HN 2.80 (# 1203:10 Preassigned 2.83, 2.87 A)
&rst
ixpk= 1203, nxpk= 10, iat=2173,2171, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 136 ARG HB+ 137 GLN HN 5.50 (# 1204:10 Preassigned 2.46, 3.40 A)
&rst
ixpk= 1204, nxpk= 10, iat= -1,2171, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2151,2152,
&end
#
# 29 GLU HA 29 GLU HN 4.00 (# 1207:10 Preassigned 2.86, 2.92 A)
&rst
ixpk= 1207, nxpk= 10, iat= 462, 460, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 29 GLU HB+ 29 GLU HN 4.00 (# 1208:10 Preassigned 2.37, 3.06 A)
&rst
ixpk= 1208, nxpk= 10, iat= -1, 460, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 464, 465,
&end
#
# 30 LEU HN 29 GLU HN 5.50 (# 1209:10 Preassigned 2.19, 2.61 A)
&rst
ixpk= 1209, nxpk= 10, iat= 475, 460, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 27 HIS HA 29 GLU HN 5.50 (# 1210:10 Preassigned 3.10, 3.49 A)
&rst
ixpk= 1210, nxpk= 10, iat= 431, 460, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 29 GLU HG+ 29 GLU HN 5.50 (# 1211:10 Preassigned 2.03, 3.39 A)
&rst
ixpk= 1211, nxpk= 10, iat= -1, 460, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 467, 468,
&end
#
# 84 LYS HN 85 ARG HN 5.50 (# 1212:10 Preassigned 2.50, 2.75 A)
&rst
ixpk= 1212, nxpk= 10, iat=1289,1311, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 83 GLU HB+ 85 ARG HN 4.00 (# 1213:10 Preassigned 2.38, 3.48 A)
&rst
ixpk= 1213, nxpk= 10, iat= -1,1311, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1278,1279,
&end
#
# 0 AMB 10-2:1216 0 AMB 10-1:1216 4.00 (# 1216:10 Double Ambig )
&rst
ixpk= 1216, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=1797, 350,
igr2=1801, 348,
&end
#
# 104 PHE HZ 23 LEU HN 6.00 (# 1217:10 Preassigned 4.90, 5.52 A)
&rst
ixpk= 1217, nxpk= 10, iat=1645, 348, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 32 VAL MGY 23 LEU HN 6.00 (# 1218:10 Preassigned 3.85, 5.48 A)
&rst
ixpk= 1218, nxpk= 10, iat= -1, 348, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 522, 523, 524, 526, 527, 528,
&end
#
# 24 GLN HN 23 LEU HN 2.80 (# 1219:10 Preassigned 2.67, 2.79 A)
&rst
ixpk= 1219, nxpk= 10, iat= 367, 348, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:1220 23 LEU HN 5.50 (# 1220:10 Single Ambig )
&rst
ixpk= 1220, nxpk= 10, iat= -1, 348, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 305, 384,
&end
#
# 22 LEU HA 23 LEU HN 4.00 (# 1222:10 Preassigned 3.59, 3.61 A)
&rst
ixpk= 1222, nxpk= 10, iat= 331, 348, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 19 ALA HA 23 LEU HN 5.50 (# 1223:10 Preassigned 3.71, 3.87 A)
&rst
ixpk= 1223, nxpk= 10, iat= 282, 348, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 22 LEU HB+ 23 LEU HN 4.00 (# 1224:10 Preassigned 2.42, 3.02 A)
&rst
ixpk= 1224, nxpk= 10, iat= -1, 348, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 333, 334,
&end
#
# 23 LEU HB+ 23 LEU HN 4.00 (# 1225:10 Preassigned 2.24, 2.94 A)
&rst
ixpk= 1225, nxpk= 10, iat= -1, 348, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 352, 353,
&end
#
# 23 LEU HB- 23 LEU HN 2.80 (# 1226:10 Preassigned 2.24, 2.94 A)
&rst
ixpk= 1226, nxpk= 10, iat= -1, 348, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 352, 353,
&end
#
# 22 LEU HB- 23 LEU HN 5.50 (# 1227:10 Preassigned 2.42, 3.02 A)
&rst
ixpk= 1227, nxpk= 10, iat= -1, 348, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 333, 334,
&end
#
# 23 LEU MDY 23 LEU HN 4.00 (# 1228:10 Preassigned 2.38, 4.45 A)
&rst
ixpk= 1228, nxpk= 10, iat= -1, 348, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1= 357, 358, 359, 361, 362, 363,
&end
#
# 23 LEU MDX 23 LEU HN 5.50 (# 1229:10 Preassigned 2.38, 4.45 A)
&rst
ixpk= 1229, nxpk= 10, iat= -1, 348, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 357, 358, 359, 361, 362, 363,
&end
#
# 0 AMB 10-2:1230 23 LEU HN 5.50 (# 1230:10 Single Ambig )
&rst
ixpk= 1230, nxpk= 10, iat= -1, 348, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 284, 285, 286, 113, 114, 115, 117, 118, 119,
&end
#
# 22 LEU MDY 23 LEU HN 5.50 (# 1231:10 Preassigned 4.63, 5.69 A)
&rst
ixpk= 1231, nxpk= 10, iat= -1, 348, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 338, 339, 340, 342, 343, 344,
&end
#
# 23 LEU HA 27 HIS HN 6.00 (# 1232:10 Preassigned 3.93, 4.28 A)
&rst
ixpk= 1232, nxpk= 10, iat= 350, 429, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 26 TYR HN 27 HIS HN 4.00 (# 1233:10 Preassigned 2.36, 2.60 A)
&rst
ixpk= 1233, nxpk= 10, iat= 408, 429, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 26 TYR HD 27 HIS HN 5.50 (# 1235:10 Preassigned 4.83, 5.32 A)
&rst
ixpk= 1235, nxpk= 10, iat= -1, 429, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 416, 425,
&end
#
# 27 HIS HD2 27 HIS HN 5.50 (# 1236:10 Preassigned 3.61, 4.80 A)
&rst
ixpk= 1236, nxpk= 10, iat= 442, 429, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 27 HIS HA 27 HIS HN 4.00 (# 1237:10 Preassigned 2.92, 2.97 A)
&rst
ixpk= 1237, nxpk= 10, iat= 431, 429, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 26 TYR HA 27 HIS HN 5.50 (# 1238:10 Preassigned 3.29, 3.50 A)
&rst
ixpk= 1238, nxpk= 10, iat= 410, 429, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 28 PRO HD+ 27 HIS HN 5.50 (# 1240:10 Preassigned 2.96, 3.79 A)
&rst
ixpk= 1240, nxpk= 10, iat= -1, 429, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 447, 448,
&end
#
# 28 PRO HD- 27 HIS HN 4.00 (# 1241:10 Preassigned 2.96, 3.79 A)
&rst
ixpk= 1241, nxpk= 10, iat= -1, 429, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 447, 448,
&end
#
# 27 HIS HB+ 27 HIS HN 2.80 (# 1242:10 Preassigned 2.60, 3.21 A)
&rst
ixpk= 1242, nxpk= 10, iat= -1, 429, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 433, 434,
&end
#
# 26 TYR HB- 27 HIS HN 4.00 (# 1243:10 Preassigned 2.82, 3.66 A)
&rst
ixpk= 1243, nxpk= 10, iat= -1, 429, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 412, 413,
&end
#
# 27 HIS HB- 27 HIS HN 2.80 (# 1244:10 Preassigned 2.60, 3.21 A)
&rst
ixpk= 1244, nxpk= 10, iat= -1, 429, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 433, 434,
&end
#
# 139 ALA MB 27 HIS HN 5.50 (# 1246:10 Preassigned 4.42, 5.50 A)
&rst
ixpk= 1246, nxpk= 10, iat= -1, 429, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=2216,2217,2218,
&end
#
# 85 ARG HN 86 HIS HN 5.50 (# 1249:10 Preassigned 2.73, 2.81 A)
&rst
ixpk= 1249, nxpk= 10, iat=1311,1335, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 83 GLU HN 86 HIS HN 5.50 (# 1250:10 Preassigned 3.51, 3.79 A)
&rst
ixpk= 1250, nxpk= 10, iat=1274,1335, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 86 HIS HD1 86 HIS HN 5.50 (# 1251:10 Preassigned 2.21, 3.04 A)
&rst
ixpk= 1251, nxpk= 10, iat=1343,1335, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 84 LYS HA 86 HIS HN 5.50 (# 1252:10 Preassigned 3.58, 3.92 A)
&rst
ixpk= 1252, nxpk= 10, iat=1291,1335, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 86 HIS HB- 86 HIS HN 4.00 (# 1253:10 Preassigned 2.32, 3.06 A)
&rst
ixpk= 1253, nxpk= 10, iat= -1,1335, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1339,1340,
&end
#
# 87 ILE HA 86 HIS HN 6.00 (# 1254:10 Preassigned 5.07, 5.11 A)
&rst
ixpk= 1254, nxpk= 10, iat=1354,1335, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 86 HIS HB+ 86 HIS HN 5.50 (# 1255:10 Preassigned 2.32, 3.06 A)
&rst
ixpk= 1255, nxpk= 10, iat= -1,1335, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1339,1340,
&end
#
# 0 AMB 10-2:1256 86 HIS HN 5.50 (# 1256:10 Single Ambig )
&rst
ixpk= 1256, nxpk= 10, iat= -1,1335, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1356,1378,1379,
&end
#
# 87 ILE HG1+ 86 HIS HN 5.50 (# 1257:10 Preassigned 3.88, 4.96 A)
&rst
ixpk= 1257, nxpk= 10, iat= -1,1335, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1362,1363,
&end
#
# 85 ARG HG- 86 HIS HN 5.50 (# 1258:10 Preassigned 2.55, 4.14 A)
&rst
ixpk= 1258, nxpk= 10, iat= -1,1335, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1318,1319,
&end
#
# 85 ARG HG+ 86 HIS HN 5.50 (# 1259:10 Preassigned 2.55, 4.14 A)
&rst
ixpk= 1259, nxpk= 10, iat= -1,1335, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1318,1319,
&end
#
# 115 ASP HB+ 115 ASP HN 4.00 (# 1260:10 Preassigned 2.32, 2.78 A)
&rst
ixpk= 1260, nxpk= 10, iat= -1,1801, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1805,1806,
&end
#
# 115 ASP HB- 115 ASP HN 2.80 (# 1261:10 Preassigned 2.32, 2.78 A)
&rst
ixpk= 1261, nxpk= 10, iat= -1,1801, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1805,1806,
&end
#
# 0 AMB 10-2:1263 143 ASN HN 2.80 (# 1263:10 Single Ambig )
&rst
ixpk= 1263, nxpk= 10, iat= -1,2268, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2249,2282,
&end
#
# 142 LEU HA 143 ASN HN 4.00 (# 1265:10 Preassigned 3.56, 3.62 A)
&rst
ixpk= 1265, nxpk= 10, iat=2251,2268, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 143 ASN HB+ 143 ASN HN 4.00 (# 1266:10 Preassigned 2.28, 2.52 A)
&rst
ixpk= 1266, nxpk= 10, iat= -1,2268, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=2272,2273,
&end
#
# 143 ASN HB- 143 ASN HN 2.80 (# 1267:10 Preassigned 2.28, 2.52 A)
&rst
ixpk= 1267, nxpk= 10, iat= -1,2268, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2272,2273,
&end
#
# 139 ALA MB 143 ASN HN 5.50 (# 1268:10 Preassigned 4.69, 5.48 A)
&rst
ixpk= 1268, nxpk= 10, iat= -1,2268, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=2216,2217,2218,
&end
#
# 144 ALA MB 143 ASN HN 5.50 (# 1269:10 Preassigned 4.36, 5.51 A)
&rst
ixpk= 1269, nxpk= 10, iat= -1,2268, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=2286,2287,2288,
&end
#
# 141 ALA MB 143 ASN HN 5.50 (# 1270:10 Preassigned 4.99, 5.57 A)
&rst
ixpk= 1270, nxpk= 10, iat= -1,2268, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=2243,2244,2245,
&end
#
# 142 LEU MDX 143 ASN HN 7.00 (# 1271:10 Preassigned 5.04, 5.91 A)
&rst
ixpk= 1271, nxpk= 10, iat= -1,2268, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1=2258,2259,2260,2262,2263,2264,
&end
#
# 94 ALA HN 93 MET HN 2.80 (# 1272:10 Preassigned 2.68, 2.78 A)
&rst
ixpk= 1272, nxpk= 10, iat=1472,1455, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 92 GLU HN 93 MET HN 2.80 (# 1273:10 Preassigned 2.37, 2.69 A)
&rst
ixpk= 1273, nxpk= 10, iat=1440,1455, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 94 ALA HA 93 MET HN 5.50 (# 1274:10 Preassigned 5.36, 5.41 A)
&rst
ixpk= 1274, nxpk= 10, iat=1474,1455, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1275 93 MET HN 4.00 (# 1275:10 Single Ambig )
&rst
ixpk= 1275, nxpk= 10, iat= -1,1455, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1412,1431,
&end
#
# 0 AMB 10-2:1276 93 MET HN 7.00 (# 1276:10 Single Ambig )
&rst
ixpk= 1276, nxpk= 10, iat= -1,1455, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1483,1484,1396,1397,
&end
#
# 93 MET HG- 93 MET HN 5.50 (# 1277:10 Preassigned 2.40, 3.12 A)
&rst
ixpk= 1277, nxpk= 10, iat= -1,1455, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1462,1463,
&end
#
# 93 MET HG+ 93 MET HN 5.50 (# 1278:10 Preassigned 2.40, 3.12 A)
&rst
ixpk= 1278, nxpk= 10, iat= -1,1455, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1462,1463,
&end
#
# 93 MET ME 93 MET HN 5.50 (# 1279:10 Preassigned 3.94, 5.77 A)
&rst
ixpk= 1279, nxpk= 10, iat= -1,1455, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1466,1467,1468,
&end
#
# 94 ALA MB 93 MET HN 5.50 (# 1280:10 Preassigned 5.02, 5.74 A)
&rst
ixpk= 1280, nxpk= 10, iat= -1,1455, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1476,1477,1478,
&end
#
# 86 HIS HA 86 HIS HN 5.50 (# 1281:10 Preassigned 2.95, 2.97 A)
&rst
ixpk= 1281, nxpk= 10, iat=1337,1335, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 85 ARG HB+ 86 HIS HN 5.50 (# 1282:10 Preassigned 2.77, 3.70 A)
&rst
ixpk= 1282, nxpk= 10, iat= -1,1335, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1315,1316,
&end
#
# 84 LYS HN 86 HIS HN 5.50 (# 1283:10 Preassigned 4.03, 4.25 A)
&rst
ixpk= 1283, nxpk= 10, iat=1289,1335, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 87 ILE HN 86 HIS HN 4.00 (# 1284:10 Preassigned 2.41, 2.48 A)
&rst
ixpk= 1284, nxpk= 10, iat=1352,1335, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 0 AMB 10-2:1286 86 HIS HN 5.50 (# 1286:10 Single Ambig )
&rst
ixpk= 1286, nxpk= 10, iat= -1,1335, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1313,1247,
&end
#
# 83 GLU HB+ 86 HIS HN 5.50 (# 1287:10 Preassigned 2.52, 3.68 A)
&rst
ixpk= 1287, nxpk= 10, iat= -1,1335, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1278,1279,
&end
#
# 83 GLU HG+ 86 HIS HN 6.00 (# 1288:10 Preassigned 2.30, 4.65 A)
&rst
ixpk= 1288, nxpk= 10, iat= -1,1335, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1281,1282,
&end
#
# 85 ARG HB+ 86 HIS HN 5.50 (# 1289:10 Preassigned 2.77, 3.70 A)
&rst
ixpk= 1289, nxpk= 10, iat= -1,1335, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1315,1316,
&end
#
# 81 THR MG2 86 HIS HN 5.50 (# 1290:10 Preassigned 4.44, 5.46 A)
&rst
ixpk= 1290, nxpk= 10, iat= -1,1335, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1249,1250,1251,
&end
#
# 0 AMB 10-2:1291 86 HIS HN 5.50 (# 1291:10 Single Ambig )
&rst
ixpk= 1291, nxpk= 10, iat= -1,1335, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1358,1359,1360,1365,1366,1367,
&end
#
# 103 LEU MDX 86 HIS HN 5.50 (# 1292:10 Preassigned 4.73, 6.94 A)
&rst
ixpk= 1292, nxpk= 10, iat= -1,1335, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1623,1624,1625,1627,1628,1629,
&end
#
# 0 AMB 10-2:1293 86 HIS HN 5.50 (# 1293:10 Single Ambig )
&rst
ixpk= 1293, nxpk= 10, iat= -1,1335, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 584, 585, 586, 588, 589, 590,1623,1624,1625,1627,
1628,1629,
&end
#
# 83 GLU HB- 86 HIS HN 5.50 (# 1294:10 Preassigned 2.52, 3.68 A)
&rst
ixpk= 1294, nxpk= 10, iat= -1,1335, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1278,1279,
&end
#
# 135 ALA HN 136 ARG HN 5.50 (# 1295:10 Preassigned 2.64, 2.72 A)
&rst
ixpk= 1295, nxpk= 10, iat=2137,2147, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 137 GLN HN 136 ARG HN 4.00 (# 1296:10 Preassigned 2.55, 2.60 A)
&rst
ixpk= 1296, nxpk= 10, iat=2171,2147, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 26 TYR HD 136 ARG HN 5.50 (# 1297:10 Preassigned 3.78, 5.85 A)
&rst
ixpk= 1297, nxpk= 10, iat= -1,2147, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 416, 425,
&end
#
# 134 SER HA 136 ARG HN 6.00 (# 1298:10 Preassigned 4.58, 4.71 A)
&rst
ixpk= 1298, nxpk= 10, iat=2128,2147, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 133 ARG HA 136 ARG HN 5.50 (# 1299:10 Preassigned 3.58, 3.80 A)
&rst
ixpk= 1299, nxpk= 10, iat=2104,2147, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1300 136 ARG HN 5.50 (# 1300:10 Single Ambig )
&rst
ixpk= 1300, nxpk= 10, iat= -1,2147, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2157,2158,2157,2158,
&end
#
# 0 AMB 10-2:1301 136 ARG HN 5.50 (# 1301:10 Single Ambig )
&rst
ixpk= 1301, nxpk= 10, iat= -1,2147, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2094,2095,2175,2176,
&end
#
# 91 CYS HN 93 MET HN 5.50 (# 1302:10 Preassigned 4.05, 4.14 A)
&rst
ixpk= 1302, nxpk= 10, iat=1429,1455, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 123 THR HN 122 GLU HN 5.50 (# 1303:10 Preassigned 2.59, 2.78 A)
&rst
ixpk= 1303, nxpk= 10, iat=1944,1929, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 120 SER HB- 122 GLU HN 4.00 (# 1304:10 Preassigned 2.41, 3.17 A)
&rst
ixpk= 1304, nxpk= 10, iat= -1,1929, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1898,1899,
&end
#
# 122 GLU HA 122 GLU HN 4.00 (# 1305:10 Preassigned 2.82, 2.85 A)
&rst
ixpk= 1305, nxpk= 10, iat=1931,1929, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 120 SER HB+ 122 GLU HN 5.50 (# 1307:10 Preassigned 2.41, 3.17 A)
&rst
ixpk= 1307, nxpk= 10, iat= -1,1929, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1898,1899,
&end
#
# 121 ARG HG+ 122 GLU HN 7.00 (# 1308:10 Preassigned 2.52, 4.70 A)
&rst
ixpk= 1308, nxpk= 10, iat= -1,1929, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1912,1913,
&end
#
# 19 ALA HN 20 GLU HN 4.00 (# 1309:10 Preassigned 2.77, 2.87 A)
&rst
ixpk= 1309, nxpk= 10, iat= 280, 290, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 0 AMB 10-2:1310 20 GLU HN 4.00 (# 1310:10 Single Ambig )
&rst
ixpk= 1310, nxpk= 10, iat= -1, 290, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
igr1= 113, 114, 115, 117, 118, 119, 284, 285, 286,
&end
#
# 21 ARG HN 20 GLU HN 4.00 (# 1311:10 Preassigned 2.75, 2.81 A)
&rst
ixpk= 1311, nxpk= 10, iat= 305, 290, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 18 THR HN 20 GLU HN 5.50 (# 1312:10 Preassigned 4.19, 4.41 A)
&rst
ixpk= 1312, nxpk= 10, iat= 266, 290, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 18 THR HB 20 GLU HN 6.00 (# 1313:10 Preassigned 5.02, 5.20 A)
&rst
ixpk= 1313, nxpk= 10, iat= 270, 290, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 17 PRO HA 20 GLU HN 5.50 (# 1314:10 Preassigned 3.32, 3.76 A)
&rst
ixpk= 1314, nxpk= 10, iat= 262, 290, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1315 20 GLU HN 4.00 (# 1315:10 Single Ambig )
&rst
ixpk= 1315, nxpk= 10, iat= -1, 290, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 292, 282,
&end
#
# 20 GLU HB+ 20 GLU HN 4.00 (# 1316:10 Preassigned 2.13, 2.94 A)
&rst
ixpk= 1316, nxpk= 10, iat= -1, 290, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 294, 295,
&end
#
# 20 GLU HB- 20 GLU HN 4.00 (# 1317:10 Preassigned 2.13, 2.94 A)
&rst
ixpk= 1317, nxpk= 10, iat= -1, 290, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 294, 295,
&end
#
# 7 VAL HB 20 GLU HN 5.50 (# 1318:10 Preassigned 3.77, 4.08 A)
&rst
ixpk= 1318, nxpk= 10, iat= 111, 290, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 32 VAL MGY 20 GLU HN 5.50 (# 1320:10 Preassigned 4.47, 6.35 A)
&rst
ixpk= 1320, nxpk= 10, iat= -1, 290, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 522, 523, 524, 526, 527, 528,
&end
#
# 7 VAL MGX 20 GLU HN 5.50 (# 1321:10 Preassigned 2.45, 4.69 A)
&rst
ixpk= 1321, nxpk= 10, iat= -1, 290, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 113, 114, 115, 117, 118, 119,
&end
#
# 138 TRP HN 136 ARG HN 6.00 (# 1322:10 Preassigned 4.21, 4.34 A)
&rst
ixpk= 1322, nxpk= 10, iat=2188,2147, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 26 TYR HE 136 ARG HN 5.50 (# 1323:10 Preassigned 2.89, 5.21 A)
&rst
ixpk= 1323, nxpk= 10, iat= -1,2147, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 418, 423,
&end
#
# 135 ALA HA 136 ARG HN 5.50 (# 1324:10 Preassigned 3.60, 3.64 A)
&rst
ixpk= 1324, nxpk= 10, iat=2139,2147, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 132 GLU HA 136 ARG HN 5.50 (# 1325:10 Preassigned 3.41, 3.48 A)
&rst
ixpk= 1325, nxpk= 10, iat=2089,2147, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 136 ARG HA 136 ARG HN 5.50 (# 1326:10 Preassigned 2.84, 2.86 A)
&rst
ixpk= 1326, nxpk= 10, iat=2149,2147, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 136 ARG HB+ 136 ARG HN 5.50 (# 1327:10 Preassigned 2.19, 2.71 A)
&rst
ixpk= 1327, nxpk= 10, iat= -1,2147, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2151,2152,
&end
#
# 0 AMB 10-2:1328 136 ARG HN 2.80 (# 1328:10 Single Ambig )
&rst
ixpk= 1328, nxpk= 10, iat= -1,2147, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
igr1=2151,2152,2141,2142,2143,
&end
#
# 136 ARG HG- 136 ARG HN 4.00 (# 1329:10 Preassigned 2.36, 3.93 A)
&rst
ixpk= 1329, nxpk= 10, iat= -1,2147, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=2154,2155,
&end
#
# 136 ARG HG+ 136 ARG HN 5.50 (# 1330:10 Preassigned 2.36, 3.93 A)
&rst
ixpk= 1330, nxpk= 10, iat= -1,2147, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2154,2155,
&end
#
# 22 LEU MDX 136 ARG HN 6.00 (# 1331:10 Preassigned 3.87, 6.20 A)
&rst
ixpk= 1331, nxpk= 10, iat= -1,2147, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 338, 339, 340, 342, 343, 344,
&end
#
# 90 LEU HN 89 ARG HN 4.00 (# 1332:10 Preassigned 2.52, 2.68 A)
&rst
ixpk= 1332, nxpk= 10, iat=1410,1386, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 86 HIS HA 89 ARG HN 5.50 (# 1333:10 Preassigned 2.90, 3.02 A)
&rst
ixpk= 1333, nxpk= 10, iat=1337,1386, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 89 ARG HD+ 89 ARG HN 5.50 (# 1334:10 Preassigned 2.25, 4.00 A)
&rst
ixpk= 1334, nxpk= 10, iat= -1,1386, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1396,1397,
&end
#
# 88 GLU HG- 89 ARG HN 5.50 (# 1335:10 Preassigned 3.55, 4.54 A)
&rst
ixpk= 1335, nxpk= 10, iat= -1,1386, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1378,1379,
&end
#
# 0 AMB 10-2:1337 89 ARG HN 5.50 (# 1337:10 Single Ambig )
&rst
ixpk= 1337, nxpk= 10, iat= -1,1386, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1419,1420,1421,1423,1424,1425,1358,1359,1360,
&end
#
# 0 AMB 10-2:1338 89 ARG HN 5.50 (# 1338:10 Single Ambig )
&rst
ixpk= 1338, nxpk= 10, iat= -1,1386, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 584, 585, 586, 588, 589, 590,1419,1420,1421,1423,
1424,1425,
&end
#
# 89 ARG HD- 89 ARG HN 7.00 (# 1339:10 Preassigned 2.25, 4.00 A)
&rst
ixpk= 1339, nxpk= 10, iat= -1,1386, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1396,1397,
&end
#
# 90 LEU HN 88 GLU HN 5.50 (# 1340:10 Preassigned 4.34, 4.50 A)
&rst
ixpk= 1340, nxpk= 10, iat=1410,1371, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 89 ARG HN 88 GLU HN 4.00 (# 1341:10 Preassigned 2.83, 2.91 A)
&rst
ixpk= 1341, nxpk= 10, iat=1386,1371, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 87 ILE HN 88 GLU HN 2.80 (# 1342:10 Preassigned 2.58, 2.77 A)
&rst
ixpk= 1342, nxpk= 10, iat=1352,1371, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 85 ARG HA 88 GLU HN 5.50 (# 1343:10 Preassigned 3.21, 3.44 A)
&rst
ixpk= 1343, nxpk= 10, iat=1313,1371, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 88 GLU HA 88 GLU HN 4.00 (# 1344:10 Preassigned 2.80, 2.84 A)
&rst
ixpk= 1344, nxpk= 10, iat=1373,1371, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 84 LYS HA 88 GLU HN 5.50 (# 1345:10 Preassigned 3.81, 4.04 A)
&rst
ixpk= 1345, nxpk= 10, iat=1291,1371, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 87 ILE HA 88 GLU HN 5.50 (# 1346:10 Preassigned 3.54, 3.60 A)
&rst
ixpk= 1346, nxpk= 10, iat=1354,1371, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 88 GLU HG+ 88 GLU HN 4.00 (# 1347:10 Preassigned 2.25, 3.64 A)
&rst
ixpk= 1347, nxpk= 10, iat= -1,1371, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1378,1379,
&end
#
# 0 AMB 10-2:1348 88 GLU HN 2.80 (# 1348:10 Single Ambig )
&rst
ixpk= 1348, nxpk= 10, iat= -1,1371, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1378,1379,1356,
&end
#
# 0 AMB 10-2:1349 88 GLU HN 2.80 (# 1349:10 Single Ambig )
&rst
ixpk= 1349, nxpk= 10, iat= -1,1371, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1375,1376,1375,1376,
&end
#
# 0 AMB 10-2:1350 88 GLU HN 5.50 (# 1350:10 Single Ambig )
&rst
ixpk= 1350, nxpk= 10, iat= -1,1371, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1390,1391,1390,1391,
&end
#
# 0 AMB 10-2:1351 88 GLU HN 5.50 (# 1351:10 Single Ambig )
&rst
ixpk= 1351, nxpk= 10, iat= -1,1371, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1315,1316,1585,
&end
#
# 87 ILE HG1+ 88 GLU HN 5.50 (# 1352:10 Unique 3.07, 4.47 A)
&rst
ixpk= 1352, nxpk= 10, iat= -1,1371, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1362,1363,
&end
#
# 81 THR MG2 88 GLU HN 5.50 (# 1353:10 Preassigned 5.53, 6.61 A)
&rst
ixpk= 1353, nxpk= 10, iat= -1,1371, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1249,1250,1251,
&end
#
# 0 AMB 10-2:1354 88 GLU HN 4.00 (# 1354:10 Single Ambig )
&rst
ixpk= 1354, nxpk= 10, iat= -1,1371, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1=1358,1359,1360,1365,1366,1367,
&end
#
# 87 ILE HG1- 88 GLU HN 5.50 (# 1355:10 Preassigned 3.07, 4.47 A)
&rst
ixpk= 1355, nxpk= 10, iat= -1,1371, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1362,1363,
&end
#
# 99 GLY HN 101 VAL HN 5.50 (# 1356:10 Preassigned 2.75, 3.62 A)
&rst
ixpk= 1356, nxpk= 10, iat=1552,1581, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 100 LYS HN 101 VAL HN 4.00 (# 1357:10 Preassigned 1.91, 2.37 A)
&rst
ixpk= 1357, nxpk= 10, iat=1559,1581, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 101 VAL HA 101 VAL HN 4.00 (# 1358:10 Preassigned 2.89, 2.94 A)
&rst
ixpk= 1358, nxpk= 10, iat=1583,1581, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 100 LYS HA 101 VAL HN 4.00 (# 1359:10 Preassigned 3.04, 3.36 A)
&rst
ixpk= 1359, nxpk= 10, iat=1561,1581, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 98 ARG HA 101 VAL HN 5.50 (# 1360:10 Preassigned 2.91, 3.28 A)
&rst
ixpk= 1360, nxpk= 10, iat=1530,1581, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 99 GLY HA- 101 VAL HN 5.50 (# 1361:10 Preassigned 3.71, 4.32 A)
&rst
ixpk= 1361, nxpk= 10, iat= -1,1581, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1554,1555,
&end
#
# 100 LYS HB+ 101 VAL HN 5.50 (# 1362:10 Preassigned 2.72, 3.84 A)
&rst
ixpk= 1362, nxpk= 10, iat= -1,1581, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1563,1564,
&end
#
# 101 VAL HB 101 VAL HN 2.80 (# 1364:10 Preassigned 2.25, 2.42 A)
&rst
ixpk= 1364, nxpk= 10, iat=1585,1581, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 100 LYS HB- 101 VAL HN 5.50 (# 1365:10 Unique 2.72, 3.84 A)
&rst
ixpk= 1365, nxpk= 10, iat= -1,1581, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1563,1564,
&end
#
# 100 LYS HD- 101 VAL HN 5.50 (# 1366:10 Preassigned 4.72, 5.79 A)
&rst
ixpk= 1366, nxpk= 10, iat= -1,1581, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1569,1570,
&end
#
# 100 LYS HD+ 101 VAL HN 5.50 (# 1367:10 Preassigned 4.72, 5.79 A)
&rst
ixpk= 1367, nxpk= 10, iat= -1,1581, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1569,1570,
&end
#
# 102 MET HN 101 VAL HN 5.50 (# 1368:10 Preassigned 4.17, 4.46 A)
&rst
ixpk= 1368, nxpk= 10, iat=1597,1581, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 79 ILE HN 101 VAL HN 5.50 (# 1369:10 Preassigned 4.55, 4.83 A)
&rst
ixpk= 1369, nxpk= 10, iat=1205,1581, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 99 GLY HA+ 101 VAL HN 5.50 (# 1370:10 Preassigned 3.71, 4.32 A)
&rst
ixpk= 1370, nxpk= 10, iat= -1,1581, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1554,1555,
&end
#
# 79 ILE QG2 101 VAL HN 6.00 (# 1371:10 Preassigned 5.71, 6.67 A)
&rst
ixpk= 1371, nxpk= 10, iat= -1,1581, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1=1211,1212,1213,
&end
#
# 78 LEU MDY 101 VAL HN 6.00 (# 1372:10 Preassigned 4.77, 7.57 A)
&rst
ixpk= 1372, nxpk= 10, iat= -1,1581, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1195,1196,1197,1199,1200,1201,
&end
#
# 121 ARG HN 122 GLU HN 4.00 (# 1375:10 Preassigned 2.69, 2.87 A)
&rst
ixpk= 1375, nxpk= 10, iat=1905,1929, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 121 ARG HA 122 GLU HN 5.50 (# 1377:10 Preassigned 3.44, 3.57 A)
&rst
ixpk= 1377, nxpk= 10, iat=1907,1929, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 121 ARG HD+ 122 GLU HN 5.50 (# 1378:10 Preassigned 2.48, 5.44 A)
&rst
ixpk= 1378, nxpk= 10, iat= -1,1929, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1915,1916,
&end
#
# 122 GLU HG+ 122 GLU HN 5.50 (# 1379:10 Preassigned 2.11, 3.79 A)
&rst
ixpk= 1379, nxpk= 10, iat= -1,1929, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1936,1937,
&end
#
# 122 GLU HG- 122 GLU HN 5.50 (# 1380:10 Preassigned 2.11, 3.79 A)
&rst
ixpk= 1380, nxpk= 10, iat= -1,1929, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1936,1937,
&end
#
# 122 GLU HB- 122 GLU HN 4.00 (# 1381:10 Preassigned 2.18, 2.79 A)
&rst
ixpk= 1381, nxpk= 10, iat= -1,1929, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1933,1934,
&end
#
# 122 GLU HB+ 122 GLU HN 4.00 (# 1382:10 Preassigned 2.18, 2.79 A)
&rst
ixpk= 1382, nxpk= 10, iat= -1,1929, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1933,1934,
&end
#
# 121 ARG HB- 122 GLU HN 5.50 (# 1383:10 Preassigned 2.81, 3.55 A)
&rst
ixpk= 1383, nxpk= 10, iat= -1,1929, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1909,1910,
&end
#
# 121 ARG HB+ 122 GLU HN 4.00 (# 1384:10 Preassigned 2.81, 3.55 A)
&rst
ixpk= 1384, nxpk= 10, iat= -1,1929, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1909,1910,
&end
#
# 0 AMB 10-2:1385 122 GLU HN 5.50 (# 1385:10 Single Ambig )
&rst
ixpk= 1385, nxpk= 10, iat= -1,1929, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1982,1983,1984,1992,1993,1994,
&end
#
# 22 LEU HN 20 GLU HN 6.00 (# 1386:10 Preassigned 4.20, 4.29 A)
&rst
ixpk= 1386, nxpk= 10, iat= 329, 290, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 88 GLU HN 89 ARG HN 4.00 (# 1387:10 Preassigned 2.83, 2.91 A)
&rst
ixpk= 1387, nxpk= 10, iat=1371,1386, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 89 ARG HA 89 ARG HN 4.00 (# 1388:10 Preassigned 2.85, 2.88 A)
&rst
ixpk= 1388, nxpk= 10, iat=1388,1386, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 88 GLU HG+ 89 ARG HN 5.50 (# 1389:10 Preassigned 3.55, 4.54 A)
&rst
ixpk= 1389, nxpk= 10, iat= -1,1386, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1378,1379,
&end
#
# 0 AMB 10-2:1390 89 ARG HN 4.00 (# 1390:10 Single Ambig )
&rst
ixpk= 1390, nxpk= 10, iat= -1,1386, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=1375,1376,1375,1376,
&end
#
# 89 ARG HB+ 89 ARG HN 2.80 (# 1391:10 Preassigned 2.19, 2.95 A)
&rst
ixpk= 1391, nxpk= 10, iat= -1,1386, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1390,1391,
&end
#
# 37 LEU MDX 89 ARG HN 5.50 (# 1392:10 Preassigned 3.94, 5.78 A)
&rst
ixpk= 1392, nxpk= 10, iat= -1,1386, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 584, 585, 586, 588, 589, 590,
&end
#
# 0 AMB 10-2:1393 89 ARG HN 5.50 (# 1393:10 Single Ambig )
&rst
ixpk= 1393, nxpk= 10, iat= -1,1386, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1373,1412,
&end
#
# 0 AMB 10-2:1394 78 LEU HN 5.50 (# 1394:10 Single Ambig )
&rst
ixpk= 1394, nxpk= 10, iat= -1,1186, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1205, 41,
&end
#
# 5 ILE QD1 78 LEU HN 6.00 (# 1395:10 Preassigned 3.92, 6.13 A)
&rst
ixpk= 1395, nxpk= 10, iat= -1,1186, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1= 82, 83, 84,
&end
#
# 0 AMB 10-2:1396 78 LEU HN 5.50 (# 1396:10 Single Ambig )
&rst
ixpk= 1396, nxpk= 10, iat= -1,1186, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 75, 76, 77,1195,1196,1197,1199,1200,1201,
&end
#
# 77 ASP HN 78 LEU HN 2.80 (# 1397:10 Preassigned 1.89, 2.13 A)
&rst
ixpk= 1397, nxpk= 10, iat=1174,1186, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 76 TYR HD 78 LEU HN 5.50 (# 1398:10 Preassigned 4.40, 5.72 A)
&rst
ixpk= 1398, nxpk= 10, iat= -1,1186, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1161,1170,
&end
#
# 5 ILE HA 78 LEU HN 4.00 (# 1399:10 Preassigned 2.65, 2.90 A)
&rst
ixpk= 1399, nxpk= 10, iat= 71,1186, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 0 AMB 10-2:1400 78 LEU HN 4.00 (# 1400:10 Single Ambig )
&rst
ixpk= 1400, nxpk= 10, iat= -1,1186, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1176, 23,
&end
#
# 78 LEU HA 78 LEU HN 4.00 (# 1401:10 Preassigned 2.89, 2.92 A)
&rst
ixpk= 1401, nxpk= 10, iat=1188,1186, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 76 TYR HA 78 LEU HN 5.50 (# 1402:10 Preassigned 4.07, 4.35 A)
&rst
ixpk= 1402, nxpk= 10, iat=1155,1186, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 77 ASP HB+ 78 LEU HN 5.50 (# 1403:10 Preassigned 3.07, 3.87 A)
&rst
ixpk= 1403, nxpk= 10, iat= -1,1186, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1178,1179,
&end
#
# 77 ASP HB+ 78 LEU HN 5.50 (# 1404:10 Preassigned 3.07, 3.87 A)
&rst
ixpk= 1404, nxpk= 10, iat= -1,1186, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1178,1179,
&end
#
# 0 AMB 10-2:1405 78 LEU HN 4.00 (# 1405:10 Single Ambig )
&rst
ixpk= 1405, nxpk= 10, iat= -1,1186, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=1157,1158, 25, 26,
&end
#
# 77 ASP HB- 78 LEU HN 4.00 (# 1406:10 Preassigned 3.07, 3.87 A)
&rst
ixpk= 1406, nxpk= 10, iat= -1,1186, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1178,1179,
&end
#
# 76 TYR HB+ 78 LEU HN 5.50 (# 1407:10 Preassigned 2.71, 3.58 A)
&rst
ixpk= 1407, nxpk= 10, iat= -1,1186, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1157,1158,
&end
#
# 0 AMB 10-2:1408 0 AMB 10-1:1408 4.00 (# 1408:10 Double Ambig )
&rst
ixpk= 1408, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
igr1= 391, 392,1190,1191,
igr2= 384,1186,
&end
#
# 78 LEU HB- 78 LEU HN 4.00 (# 1409:10 Preassigned 2.73, 3.11 A)
&rst
ixpk= 1409, nxpk= 10, iat= -1,1186, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1190,1191,
&end
#
# 79 ILE HG1- 78 LEU HN 5.50 (# 1410:10 Unique 3.35, 4.67 A)
&rst
ixpk= 1410, nxpk= 10, iat= -1,1186, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1215,1216,
&end
#
# 78 LEU HG 78 LEU HN 5.50 (# 1411:10 Unique 4.37, 4.64 A)
&rst
ixpk= 1411, nxpk= 10, iat=1193,1186, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 58 LEU MDY 25 ARG HN 5.50 (# 1412:10 Preassigned 3.91, 6.15 A)
&rst
ixpk= 1412, nxpk= 10, iat= -1, 384, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 866, 867, 868, 870, 871, 872,
&end
#
# 23 LEU HN 25 ARG HN 6.00 (# 1413:10 Preassigned 4.10, 4.26 A)
&rst
ixpk= 1413, nxpk= 10, iat= 348, 384, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 23 LEU HA 25 ARG HN 6.00 (# 1414:10 Preassigned 4.34, 4.52 A)
&rst
ixpk= 1414, nxpk= 10, iat= 350, 384, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 25 ARG HA 25 ARG HN 2.80 (# 1415:10 Preassigned 2.80, 2.82 A)
&rst
ixpk= 1415, nxpk= 10, iat= 386, 384, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 22 LEU HA 25 ARG HN 5.50 (# 1416:10 Preassigned 3.15, 3.32 A)
&rst
ixpk= 1416, nxpk= 10, iat= 331, 384, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 24 GLN HB+ 25 ARG HN 5.50 (# 1418:10 Preassigned 2.59, 3.27 A)
&rst
ixpk= 1418, nxpk= 10, iat= -1, 384, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 371, 372,
&end
#
# 24 GLN HB- 25 ARG HN 5.50 (# 1419:10 Preassigned 2.59, 3.27 A)
&rst
ixpk= 1419, nxpk= 10, iat= -1, 384, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 371, 372,
&end
#
# 0 AMB 10-2:1420 25 ARG HN 4.00 (# 1420:10 Single Ambig )
&rst
ixpk= 1420, nxpk= 10, iat= -1, 384, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1= 388, 389, 388, 389,
&end
#
# 25 ARG HG- 25 ARG HN 5.50 (# 1421:10 Preassigned 2.48, 4.21 A)
&rst
ixpk= 1421, nxpk= 10, iat= -1, 384, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 391, 392,
&end
#
# 67 GLN HG+ 41 VAL HN 6.00 (# 1422:10 Preassigned 4.05, 6.73 A)
&rst
ixpk= 1422, nxpk= 10, iat= -1, 630, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 997, 998,
&end
#
# 0 AMB 10-2:1423 16 SER HN 5.50 (# 1423:10 Single Ambig )
&rst
ixpk= 1423, nxpk= 10, iat= -1, 241, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 245, 246, 243,
&end
#
# 16 SER HB- 16 SER HN 5.50 (# 1424:10 Preassigned 2.56, 3.13 A)
&rst
ixpk= 1424, nxpk= 10, iat= -1, 241, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 245, 246,
&end
#
# 17 PRO HD+ 16 SER HN 5.50 (# 1425:10 Preassigned 2.51, 3.09 A)
&rst
ixpk= 1425, nxpk= 10, iat= -1, 241, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 253, 254,
&end
#
# 0 AMB 10-2:1426 16 SER HN 5.50 (# 1426:10 Single Ambig )
&rst
ixpk= 1426, nxpk= 10, iat= -1, 241, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=1268,1269,1270, 256, 257,
&end
#
# 7 VAL MGX 16 SER HN 6.00 (# 1427:10 Preassigned 4.01, 6.15 A)
&rst
ixpk= 1427, nxpk= 10, iat= -1, 241, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 113, 114, 115, 117, 118, 119,
&end
#
# 17 PRO HD- 16 SER HN 5.50 (# 1430:10 Unique 2.51, 3.09 A)
&rst
ixpk= 1430, nxpk= 10, iat= -1, 241, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 253, 254,
&end
#
# 17 PRO HG- 16 SER HN 5.50 (# 1434:10 Preassigned 4.57, 5.09 A)
&rst
ixpk= 1434, nxpk= 10, iat= -1, 241, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 256, 257,
&end
#
# 0 AMB 10-2:1435 45 ALA HN 7.00 (# 1435:10 Single Ambig )
&rst
ixpk= 1435, nxpk= 10, iat= -1, 682, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 896, 897, 898, 900, 901, 902, 896, 897, 898, 900,
901, 902,
&end
#
# 45 ALA HA 45 ALA HN 5.50 (# 1436:10 Preassigned 2.79, 2.84 A)
&rst
ixpk= 1436, nxpk= 10, iat= 684, 682, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 63 HIS HB- 45 ALA HN 5.50 (# 1437:10 Preassigned 2.27, 4.17 A)
&rst
ixpk= 1437, nxpk= 10, iat= -1, 682, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 932, 933,
&end
#
# 45 ALA MB 45 ALA HN 4.00 (# 1438:10 Preassigned 2.42, 2.93 A)
&rst
ixpk= 1438, nxpk= 10, iat= -1, 682, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1= 686, 687, 688,
&end
#
# 70 ARG HN 71 ARG HN 5.50 (# 1439:10 Preassigned 2.70, 2.84 A)
&rst
ixpk= 1439, nxpk= 10, iat=1037,1061, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1440 0 AMB 10-1:1440 5.50 (# 1440:10 Double Ambig )
&rst
ixpk= 1440, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1085, 928,
igr2=1061, 682,
&end
#
# 69 SER HB- 71 ARG HN 4.00 (# 1442:10 Preassigned 2.70, 3.55 A)
&rst
ixpk= 1442, nxpk= 10, iat= -1,1061, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1030,1031,
&end
#
# 71 ARG HA 71 ARG HN 4.00 (# 1443:10 Preassigned 2.81, 2.85 A)
&rst
ixpk= 1443, nxpk= 10, iat=1063,1061, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 70 ARG HA 71 ARG HN 5.50 (# 1444:10 Preassigned 3.52, 3.58 A)
&rst
ixpk= 1444, nxpk= 10, iat=1039,1061, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 71 ARG HB- 71 ARG HN 2.80 (# 1445:10 Preassigned 2.42, 2.65 A)
&rst
ixpk= 1445, nxpk= 10, iat= -1,1061, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1065,1066,
&end
#
# 71 ARG HB+ 71 ARG HN 4.00 (# 1446:10 Preassigned 2.42, 2.65 A)
&rst
ixpk= 1446, nxpk= 10, iat= -1,1061, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1065,1066,
&end
#
# 71 ARG HG+ 71 ARG HN 4.00 (# 1447:10 Unique 2.11, 4.13 A)
&rst
ixpk= 1447, nxpk= 10, iat= -1,1061, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1068,1069,
&end
#
# 40 LEU HG 41 VAL HN 5.50 (# 1448:10 Preassigned 4.98, 5.11 A)
&rst
ixpk= 1448, nxpk= 10, iat= 618, 630, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 65 ALA MB 41 VAL HN 5.50 (# 1449:10 Preassigned 3.27, 4.32 A)
&rst
ixpk= 1449, nxpk= 10, iat= -1, 630, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 960, 961, 962,
&end
#
# 44 GLY HA+ 45 ALA HN 5.50 (# 1463:10 Preassigned 2.39, 2.65 A)
&rst
ixpk= 1463, nxpk= 10, iat= -1, 682, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 677, 678,
&end
#
# 44 GLY HN 45 ALA HN 5.50 (# 1466:10 Preassigned 2.57, 4.26 A)
&rst
ixpk= 1466, nxpk= 10, iat= 675, 682, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 63 HIS HD2 45 ALA HN 5.50 (# 1467:10 Preassigned 2.79, 3.80 A)
&rst
ixpk= 1467, nxpk= 10, iat= 941, 682, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 44 GLY HA- 45 ALA HN 4.00 (# 1468:10 Preassigned 2.39, 2.65 A)
&rst
ixpk= 1468, nxpk= 10, iat= -1, 682, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 677, 678,
&end
#
# 63 HIS HB+ 45 ALA HN 4.00 (# 1469:10 Preassigned 2.27, 4.17 A)
&rst
ixpk= 1469, nxpk= 10, iat= -1, 682, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 932, 933,
&end
#
# 50 ILE QD1 45 ALA HN 5.50 (# 1472:10 Unique 3.44, 5.03 A)
&rst
ixpk= 1472, nxpk= 10, iat= -1, 682, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 755, 756, 757,
&end
#
# 0 AMB 10-2:1473 76 TYR HN 5.50 (# 1473:10 Single Ambig )
&rst
ixpk= 1473, nxpk= 10, iat= -1,1153, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 64, 65,1163,1168,
&end
#
# 39 ALA HA 41 VAL HN 6.50 (# 1474:10 Preassigned 4.29, 4.46 A)
&rst
ixpk= 1474, nxpk= 10, iat= 603, 630, r1= 0.00, r2= 1.80, r3= 6.50, r4= 7.25, &end
#
# 42 GLY HN 41 VAL HN 5.50 (# 1475:10 Preassigned 4.43, 4.49 A)
&rst
ixpk= 1475, nxpk= 10, iat= 646, 630, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 39 ALA HN 41 VAL HN 6.00 (# 1476:10 Preassigned 4.75, 5.04 A)
&rst
ixpk= 1476, nxpk= 10, iat= 601, 630, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 40 LEU HN 41 VAL HN 5.50 (# 1477:10 Preassigned 2.81, 3.46 A)
&rst
ixpk= 1477, nxpk= 10, iat= 611, 630, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 40 LEU HA 41 VAL HN 2.80 (# 1478:10 Preassigned 2.37, 2.56 A)
&rst
ixpk= 1478, nxpk= 10, iat= 613, 630, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 41 VAL HA 41 VAL HN 5.50 (# 1479:10 Preassigned 2.57, 2.65 A)
&rst
ixpk= 1479, nxpk= 10, iat= 632, 630, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 41 VAL HB 41 VAL HN 4.00 (# 1480:10 Preassigned 2.35, 2.65 A)
&rst
ixpk= 1480, nxpk= 10, iat= 634, 630, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 40 LEU HB+ 41 VAL HN 5.50 (# 1481:10 Preassigned 4.29, 4.42 A)
&rst
ixpk= 1481, nxpk= 10, iat= -1, 630, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 615, 616,
&end
#
# 40 LEU HB- 41 VAL HN 5.50 (# 1482:10 Preassigned 4.29, 4.42 A)
&rst
ixpk= 1482, nxpk= 10, iat= -1, 630, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 615, 616,
&end
#
# 41 VAL MGY 41 VAL HN 2.80 (# 1483:10 Preassigned 1.86, 3.68 A)
&rst
ixpk= 1483, nxpk= 10, iat= -1, 630, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 636, 637, 638, 640, 641, 642,
&end
#
# 0 AMB 10-2:1484 41 VAL HN 5.50 (# 1484:10 Single Ambig )
&rst
ixpk= 1484, nxpk= 10, iat= -1, 630, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 620, 621, 622, 624, 625, 626, 620, 621, 622, 624,
625, 626,
&end
#
# 0 AMB 10-2:1489 76 TYR HN 7.00 (# 1489:10 Single Ambig )
&rst
ixpk= 1489, nxpk= 10, iat= -1,1153, r1= 0.00, r2= 1.80, r3=10.10, r4=10.85,
igr1=1218,1219,1220,1094,1095,1096,1098,1099,1100,
&end
#
# 77 ASP HN 76 TYR HN 5.50 (# 1490:10 Preassigned 4.54, 4.62 A)
&rst
ixpk= 1490, nxpk= 10, iat=1174,1153, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 75 ASN HN 76 TYR HN 2.80 (# 1491:10 Preassigned 2.55, 2.68 A)
&rst
ixpk= 1491, nxpk= 10, iat=1139,1153, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 76 TYR HD 76 TYR HN 2.80 (# 1492:10 Preassigned 2.35, 3.67 A)
&rst
ixpk= 1492, nxpk= 10, iat= -1,1153, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1161,1170,
&end
#
# 0 AMB 10-2:1493 76 TYR HN 4.00 (# 1493:10 Single Ambig )
&rst
ixpk= 1493, nxpk= 10, iat= -1,1153, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1155,1141,
&end
#
# 74 ARG HA 76 TYR HN 5.50 (# 1494:10 Preassigned 4.15, 4.46 A)
&rst
ixpk= 1494, nxpk= 10, iat=1117,1153, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 73 CYS HA 76 TYR HN 5.50 (# 1495:10 Preassigned 3.58, 3.76 A)
&rst
ixpk= 1495, nxpk= 10, iat=1106,1153, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 76 TYR HB- 76 TYR HN 4.00 (# 1496:10 Preassigned 2.37, 3.11 A)
&rst
ixpk= 1496, nxpk= 10, iat= -1,1153, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1157,1158,
&end
#
# 4 ASN HB- 76 TYR HN 6.00 (# 1497:10 Preassigned 4.74, 5.88 A)
&rst
ixpk= 1497, nxpk= 10, iat= -1,1153, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 59, 60,
&end
#
# 0 AMB 10-2:1498 76 TYR HN 4.00 (# 1498:10 Single Ambig )
&rst
ixpk= 1498, nxpk= 10, iat= -1,1153, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=1143,1144,1143,1144,
&end
#
# 76 TYR HB+ 76 TYR HN 4.00 (# 1499:10 Preassigned 2.37, 3.11 A)
&rst
ixpk= 1499, nxpk= 10, iat= -1,1153, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1157,1158,
&end
#
# 97 MET ME 76 TYR HN 5.50 (# 1500:10 Preassigned 4.16, 5.58 A)
&rst
ixpk= 1500, nxpk= 10, iat= -1,1153, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1522,1523,1524,
&end
#
# 6 LEU MDX 76 TYR HN 6.00 (# 1501:10 Preassigned 4.01, 6.16 A)
&rst
ixpk= 1501, nxpk= 10, iat= -1,1153, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 97, 98, 99, 101, 102, 103,
&end
#
# 25 ARG HN 24 GLN HN 4.00 (# 1502:10 Preassigned 2.79, 2.82 A)
&rst
ixpk= 1502, nxpk= 10, iat= 384, 367, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 0 AMB 10-2:1503 24 GLN HN 4.00 (# 1503:10 Single Ambig )
&rst
ixpk= 1503, nxpk= 10, iat= -1, 367, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 369, 307,
&end
#
# 0 AMB 10-2:1504 24 GLN HN 4.00 (# 1504:10 Single Ambig )
&rst
ixpk= 1504, nxpk= 10, iat= -1, 367, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1= 374, 375, 374, 375,
&end
#
# 24 GLN HB+ 24 GLN HN 4.00 (# 1505:10 Preassigned 2.08, 2.62 A)
&rst
ixpk= 1505, nxpk= 10, iat= -1, 367, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 371, 372,
&end
#
# 24 GLN HB- 24 GLN HN 4.00 (# 1506:10 Preassigned 2.08, 2.62 A)
&rst
ixpk= 1506, nxpk= 10, iat= -1, 367, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 371, 372,
&end
#
# 23 LEU HB+ 24 GLN HN 4.00 (# 1507:10 Unique 2.53, 3.11 A)
&rst
ixpk= 1507, nxpk= 10, iat= -1, 367, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 352, 353,
&end
#
# 23 LEU HB- 24 GLN HN 4.00 (# 1508:10 Preassigned 2.53, 3.11 A)
&rst
ixpk= 1508, nxpk= 10, iat= -1, 367, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 352, 353,
&end
#
# 32 VAL HB 24 GLN HN 5.50 (# 1510:10 Preassigned 3.23, 4.07 A)
&rst
ixpk= 1510, nxpk= 10, iat= 520, 367, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 32 VAL MGX 24 GLN HN 5.50 (# 1511:10 Preassigned 2.62, 4.38 A)
&rst
ixpk= 1511, nxpk= 10, iat= -1, 367, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 522, 523, 524, 526, 527, 528,
&end
#
# 32 VAL MGY 24 GLN HN 5.50 (# 1512:10 Preassigned 2.62, 4.38 A)
&rst
ixpk= 1512, nxpk= 10, iat= -1, 367, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 522, 523, 524, 526, 527, 528,
&end
#
# 23 LEU HN 24 GLN HN 5.50 (# 1513:10 Preassigned 2.67, 2.79 A)
&rst
ixpk= 1513, nxpk= 10, iat= 348, 367, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 133 ARG HG+ 134 SER HN 5.50 (# 1514:10 Preassigned 2.28, 4.05 A)
&rst
ixpk= 1514, nxpk= 10, iat= -1,2126, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2109,2110,
&end
#
# 72 LEU MDY 69 SER HN 6.00 (# 1515:10 Preassigned 2.46, 4.47 A)
&rst
ixpk= 1515, nxpk= 10, iat= -1,1026, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1094,1095,1096,1098,1099,1100,
&end
#
# 0 AMB 10-2:1516 69 SER HN 5.50 (# 1516:10 Single Ambig )
&rst
ixpk= 1516, nxpk= 10, iat= -1,1026, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1085,1104,
&end
#
# 69 SER HB- 69 SER HN 5.50 (# 1518:10 Preassigned 2.79, 3.52 A)
&rst
ixpk= 1518, nxpk= 10, iat= -1,1026, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1030,1031,
&end
#
# 0 AMB 10-2:1519 69 SER HN 4.00 (# 1519:10 Single Ambig )
&rst
ixpk= 1519, nxpk= 10, iat= -1,1026, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1=1009,1030,1031,
&end
#
# 72 LEU HB+ 69 SER HN 4.00 (# 1520:10 Preassigned 1.87, 2.86 A)
&rst
ixpk= 1520, nxpk= 10, iat= -1,1026, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1089,1090,
&end
#
# 72 LEU HB- 69 SER HN 4.00 (# 1521:10 Preassigned 1.87, 2.86 A)
&rst
ixpk= 1521, nxpk= 10, iat= -1,1026, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1089,1090,
&end
#
# 68 ILE HG1- 69 SER HN 4.00 (# 1522:10 Preassigned 2.18, 2.95 A)
&rst
ixpk= 1522, nxpk= 10, iat= -1,1026, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1017,1018,
&end
#
# 68 ILE HG1+ 69 SER HN 4.00 (# 1523:10 Preassigned 2.18, 2.95 A)
&rst
ixpk= 1523, nxpk= 10, iat= -1,1026, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1017,1018,
&end
#
# 72 LEU MDX 69 SER HN 5.50 (# 1524:10 Preassigned 2.46, 4.47 A)
&rst
ixpk= 1524, nxpk= 10, iat= -1,1026, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1094,1095,1096,1098,1099,1100,
&end
#
# 68 ILE QD1 69 SER HN 4.00 (# 1525:10 Preassigned 2.09, 3.87 A)
&rst
ixpk= 1525, nxpk= 10, iat= -1,1026, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1=1020,1021,1022,
&end
#
# 71 ARG HB- 69 SER HN 6.00 (# 1526:10 Preassigned 5.14, 6.22 A)
&rst
ixpk= 1526, nxpk= 10, iat= -1,1026, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1065,1066,
&end
#
# 0 AMB 10-2:1527 107 TRP HN 2.80 (# 1527:10 Single Ambig )
&rst
ixpk= 1527, nxpk= 10, iat= -1,1677, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1701,1660,
&end
#
# 107 TRP HD1 107 TRP HN 5.50 (# 1528:10 Preassigned 2.52, 2.98 A)
&rst
ixpk= 1528, nxpk= 10, iat=1685,1677, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 108 ASP HA 107 TRP HN 5.50 (# 1529:10 Preassigned 4.75, 5.12 A)
&rst
ixpk= 1529, nxpk= 10, iat=1703,1677, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 107 TRP HA 107 TRP HN 4.00 (# 1531:10 Preassigned 2.82, 2.92 A)
&rst
ixpk= 1531, nxpk= 10, iat=1679,1677, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 106 HIS HB- 107 TRP HN 5.50 (# 1532:10 Preassigned 2.32, 3.39 A)
&rst
ixpk= 1532, nxpk= 10, iat= -1,1677, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1664,1665,
&end
#
# 107 TRP HB+ 107 TRP HN 4.00 (# 1533:10 Preassigned 2.37, 3.10 A)
&rst
ixpk= 1533, nxpk= 10, iat= -1,1677, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1681,1682,
&end
#
# 108 ASP HB+ 107 TRP HN 5.50 (# 1534:10 Preassigned 4.01, 4.65 A)
&rst
ixpk= 1534, nxpk= 10, iat= -1,1677, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1705,1706,
&end
#
# 107 TRP HB- 107 TRP HN 4.00 (# 1535:10 Preassigned 2.37, 3.10 A)
&rst
ixpk= 1535, nxpk= 10, iat= -1,1677, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1681,1682,
&end
#
# 137 GLN HB- 107 TRP HN 6.00 (# 1536:10 Preassigned 4.46, 5.28 A)
&rst
ixpk= 1536, nxpk= 10, iat= -1,1677, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=2175,2176,
&end
#
# 106 HIS HB+ 107 TRP HN 4.00 (# 1537:10 Preassigned 2.32, 3.39 A)
&rst
ixpk= 1537, nxpk= 10, iat= -1,1677, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1664,1665,
&end
#
# 137 GLN HB+ 107 TRP HN 5.50 (# 1538:10 Preassigned 4.46, 5.28 A)
&rst
ixpk= 1538, nxpk= 10, iat= -1,1677, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2175,2176,
&end
#
# 132 GLU HN 134 SER HN 5.50 (# 1539:10 Preassigned 3.95, 4.18 A)
&rst
ixpk= 1539, nxpk= 10, iat=2087,2126, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 50 ILE HN 51 SER HN 4.00 (# 1540:10 Preassigned 2.83, 2.87 A)
&rst
ixpk= 1540, nxpk= 10, iat= 742, 761, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 52 VAL HN 51 SER HN 4.00 (# 1541:10 Preassigned 2.93, 3.04 A)
&rst
ixpk= 1541, nxpk= 10, iat= 772, 761, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 0 AMB 10-2:1542 0 AMB 10-1:1542 5.50 (# 1542:10 Double Ambig )
&rst
ixpk= 1542, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 732,1643,1647,
igr2= 761,2126,
&end
#
# 51 SER HA 51 SER HN 5.50 (# 1543:10 Preassigned 2.78, 2.79 A)
&rst
ixpk= 1543, nxpk= 10, iat= 763, 761, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 51 SER HB+ 51 SER HN 2.80 (# 1544:10 Preassigned 2.56, 3.10 A)
&rst
ixpk= 1544, nxpk= 10, iat= -1, 761, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 765, 766,
&end
#
# 51 SER HB- 51 SER HN 4.00 (# 1545:10 Preassigned 2.56, 3.10 A)
&rst
ixpk= 1545, nxpk= 10, iat= -1, 761, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 765, 766,
&end
#
# 48 THR HA 51 SER HN 4.00 (# 1546:10 Unique 2.97, 3.23 A)
&rst
ixpk= 1546, nxpk= 10, iat= 720, 761, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 50 ILE HA 51 SER HN 5.50 (# 1547:10 Preassigned 3.62, 3.64 A)
&rst
ixpk= 1547, nxpk= 10, iat= 744, 761, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 50 ILE HB 51 SER HN 4.00 (# 1548:10 Preassigned 2.61, 2.72 A)
&rst
ixpk= 1548, nxpk= 10, iat= 746, 761, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 130 LEU MDX 134 SER HN 5.50 (# 1549:10 Preassigned 3.52, 6.01 A)
&rst
ixpk= 1549, nxpk= 10, iat= -1,2126, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2058,2059,2060,2062,2063,2064,
&end
#
# 0 AMB 10-2:1550 51 SER HN 4.00 (# 1550:10 Single Ambig )
&rst
ixpk= 1550, nxpk= 10, iat= -1, 761, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
igr1= 748, 749, 750, 778, 779, 780, 782, 783, 784,
&end
#
# 0 AMB 10-2:1551 0 AMB 10-1:1551 5.50 (# 1551:10 Double Ambig )
&rst
ixpk= 1551, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
igr1= 755, 756, 757,2072,2073,
igr2= 761,2126,
&end
#
# 0 AMB 10-2:1552 0 AMB 10-1:1552 5.50 (# 1552:10 Double Ambig )
&rst
ixpk= 1552, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 724, 725, 726,2077,2078,2079,2081,2082,2083,
igr2= 761,2126,
&end
#
# 60 LEU MDX 51 SER HN 5.50 (# 1553:10 Preassigned 5.23, 7.39 A)
&rst
ixpk= 1553, nxpk= 10, iat= -1, 761, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 896, 897, 898, 900, 901, 902,
&end
#
# 135 ALA HN 134 SER HN 4.00 (# 1554:10 Preassigned 2.86, 2.91 A)
&rst
ixpk= 1554, nxpk= 10, iat=2137,2126, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 133 ARG HN 134 SER HN 4.00 (# 1555:10 Preassigned 2.59, 2.82 A)
&rst
ixpk= 1555, nxpk= 10, iat=2102,2126, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 104 PHE HD 134 SER HN 5.50 (# 1556:10 Preassigned 4.13, 6.65 A)
&rst
ixpk= 1556, nxpk= 10, iat= -1,2126, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1641,1649,
&end
#
# 134 SER HA 134 SER HN 5.50 (# 1559:10 Preassigned 2.76, 2.79 A)
&rst
ixpk= 1559, nxpk= 10, iat=2128,2126, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 134 SER HB- 134 SER HN 5.50 (# 1560:10 Preassigned 2.35, 3.04 A)
&rst
ixpk= 1560, nxpk= 10, iat= -1,2126, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2130,2131,
&end
#
# 134 SER HB+ 134 SER HN 4.00 (# 1561:10 Preassigned 2.35, 3.04 A)
&rst
ixpk= 1561, nxpk= 10, iat= -1,2126, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=2130,2131,
&end
#
# 0 AMB 10-2:1562 134 SER HN 4.00 (# 1562:10 Single Ambig )
&rst
ixpk= 1562, nxpk= 10, iat= -1,2126, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=2106,2107,2106,2107,
&end
#
# 133 ARG HG- 134 SER HN 4.00 (# 1563:10 Preassigned 2.28, 4.05 A)
&rst
ixpk= 1563, nxpk= 10, iat= -1,2126, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=2109,2110,
&end
#
# 54 ALA HN 56 HIS HN 5.50 (# 1564:10 Preassigned 3.97, 4.19 A)
&rst
ixpk= 1564, nxpk= 10, iat= 798, 823, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 57 GLN HN 56 HIS HN 4.00 (# 1565:10 Preassigned 2.25, 2.63 A)
&rst
ixpk= 1565, nxpk= 10, iat= 840, 823, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 56 HIS HD2 56 HIS HN 5.50 (# 1566:10 Preassigned 2.64, 3.04 A)
&rst
ixpk= 1566, nxpk= 10, iat= 836, 823, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 55 GLU HA 56 HIS HN 4.00 (# 1567:10 Preassigned 3.43, 3.54 A)
&rst
ixpk= 1567, nxpk= 10, iat= 810, 823, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 56 HIS HB- 56 HIS HN 4.00 (# 1568:10 Preassigned 2.29, 3.03 A)
&rst
ixpk= 1568, nxpk= 10, iat= -1, 823, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 827, 828,
&end
#
# 56 HIS HB+ 56 HIS HN 4.00 (# 1569:10 Preassigned 2.29, 3.03 A)
&rst
ixpk= 1569, nxpk= 10, iat= -1, 823, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 827, 828,
&end
#
# 55 GLU HB+ 56 HIS HN 4.00 (# 1570:10 Preassigned 2.71, 3.44 A)
&rst
ixpk= 1570, nxpk= 10, iat= -1, 823, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 812, 813,
&end
#
# 55 GLU HB- 56 HIS HN 5.50 (# 1571:10 Preassigned 2.71, 3.44 A)
&rst
ixpk= 1571, nxpk= 10, iat= -1, 823, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 812, 813,
&end
#
# 54 ALA MB 56 HIS HN 5.50 (# 1572:10 Preassigned 4.89, 5.48 A)
&rst
ixpk= 1572, nxpk= 10, iat= -1, 823, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 802, 803, 804,
&end
#
# 56 HIS HA 56 HIS HN 4.00 (# 1573:10 Preassigned 2.90, 2.94 A)
&rst
ixpk= 1573, nxpk= 10, iat= 825, 823, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 57 GLN HA 56 HIS HN 5.50 (# 1574:10 Preassigned 4.20, 4.67 A)
&rst
ixpk= 1574, nxpk= 10, iat= 842, 823, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 58 LEU HB- 56 HIS HN 7.00 (# 1575:10 Preassigned 4.23, 5.22 A)
&rst
ixpk= 1575, nxpk= 10, iat= -1, 823, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 861, 862,
&end
#
# 72 LEU MDY 75 ASN HN 6.00 (# 1576:10 Preassigned 4.69, 6.82 A)
&rst
ixpk= 1576, nxpk= 10, iat= -1,1139, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1094,1095,1096,1098,1099,1100,
&end
#
# 139 ALA HN 140 GLN HN 4.00 (# 1577:10 Preassigned 2.76, 2.80 A)
&rst
ixpk= 1577, nxpk= 10, iat=2212,2222, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 142 LEU HN 140 GLN HN 5.50 (# 1578:10 Preassigned 3.97, 4.15 A)
&rst
ixpk= 1578, nxpk= 10, iat=2249,2222, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 141 ALA HN 140 GLN HN 2.80 (# 1579:10 Preassigned 2.50, 2.71 A)
&rst
ixpk= 1579, nxpk= 10, iat=2239,2222, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 140 GLN HA 140 GLN HN 5.50 (# 1580:10 Preassigned 2.84, 2.87 A)
&rst
ixpk= 1580, nxpk= 10, iat=2224,2222, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 139 ALA HA 140 GLN HN 5.50 (# 1581:10 Preassigned 3.56, 3.61 A)
&rst
ixpk= 1581, nxpk= 10, iat=2214,2222, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 137 GLN HA 140 GLN HN 4.00 (# 1582:10 Preassigned 2.98, 3.12 A)
&rst
ixpk= 1582, nxpk= 10, iat=2173,2222, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 140 GLN HG- 140 GLN HN 4.00 (# 1583:10 Preassigned 2.55, 4.07 A)
&rst
ixpk= 1583, nxpk= 10, iat= -1,2222, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=2229,2230,
&end
#
# 140 GLN HG+ 140 GLN HN 5.50 (# 1584:10 Preassigned 2.55, 4.07 A)
&rst
ixpk= 1584, nxpk= 10, iat= -1,2222, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2229,2230,
&end
#
# 140 GLN HB- 140 GLN HN 2.80 (# 1585:10 Preassigned 2.09, 2.67 A)
&rst
ixpk= 1585, nxpk= 10, iat= -1,2222, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2226,2227,
&end
#
# 139 ALA MB 140 GLN HN 4.00 (# 1586:10 Preassigned 2.75, 3.61 A)
&rst
ixpk= 1586, nxpk= 10, iat= -1,2222, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1=2216,2217,2218,
&end
#
# 141 ALA MB 140 GLN HN 5.50 (# 1587:10 Preassigned 4.68, 5.45 A)
&rst
ixpk= 1587, nxpk= 10, iat= -1,2222, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=2243,2244,2245,
&end
#
# 138 TRP HN 140 GLN HN 5.50 (# 1588:10 Preassigned 4.07, 4.14 A)
&rst
ixpk= 1588, nxpk= 10, iat=2188,2222, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 138 TRP HA 140 GLN HN 5.50 (# 1589:10 Preassigned 3.97, 4.24 A)
&rst
ixpk= 1589, nxpk= 10, iat=2190,2222, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 136 ARG HA 140 GLN HN 6.00 (# 1590:10 Preassigned 3.92, 4.12 A)
&rst
ixpk= 1590, nxpk= 10, iat=2149,2222, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 68 ILE HN 69 SER HN 6.00 (# 1591:10 Preassigned 4.60, 4.67 A)
&rst
ixpk= 1591, nxpk= 10, iat=1007,1026, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 138 TRP HE1 107 TRP HN 6.00 (# 1592:10 Preassigned 3.82, 4.50 A)
&rst
ixpk= 1592, nxpk= 10, iat=2198,1677, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 137 GLN HG+ 107 TRP HN 6.00 (# 1593:10 Preassigned 5.42, 6.79 A)
&rst
ixpk= 1593, nxpk= 10, iat= -1,1677, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=2178,2179,
&end
#
# 76 TYR HN 75 ASN HN 2.80 (# 1594:10 Preassigned 2.55, 2.68 A)
&rst
ixpk= 1594, nxpk= 10, iat=1153,1139, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 74 ARG HN 75 ASN HN 2.80 (# 1595:10 Preassigned 2.54, 2.65 A)
&rst
ixpk= 1595, nxpk= 10, iat=1115,1139, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 76 TYR HD 75 ASN HN 4.00 (# 1596:10 Preassigned 3.99, 5.64 A)
&rst
ixpk= 1596, nxpk= 10, iat= -1,1139, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1161,1170,
&end
#
# 76 TYR HE 75 ASN HN 5.50 (# 1597:10 Preassigned 4.90, 6.61 A)
&rst
ixpk= 1597, nxpk= 10, iat= -1,1139, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1163,1168,
&end
#
# 75 ASN HA 75 ASN HN 2.80 (# 1598:10 Preassigned 2.83, 2.86 A)
&rst
ixpk= 1598, nxpk= 10, iat=1141,1139, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 74 ARG HA 75 ASN HN 5.50 (# 1599:10 Preassigned 3.53, 3.56 A)
&rst
ixpk= 1599, nxpk= 10, iat=1117,1139, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1600 0 AMB 10-1:1600 5.50 (# 1600:10 Double Ambig )
&rst
ixpk= 1600, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2173,1106,
igr2=2222,1139,
&end
#
# 0 AMB 10-2:1602 0 AMB 10-1:1602 7.00 (# 1602:10 Double Ambig )
&rst
ixpk= 1602, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
igr1=1157,1158,2272,2273,
igr2=1139,2222,
&end
#
# 73 CYS HB+ 75 ASN HN 5.50 (# 1603:10 Preassigned 4.88, 5.31 A)
&rst
ixpk= 1603, nxpk= 10, iat= -1,1139, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1108,1109,
&end
#
# 0 AMB 10-2:1604 75 ASN HN 4.00 (# 1604:10 Single Ambig )
&rst
ixpk= 1604, nxpk= 10, iat= -1,1139, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=1143,1144,1143,1144,
&end
#
# 0 AMB 10-2:1605 75 ASN HN 4.00 (# 1605:10 Single Ambig )
&rst
ixpk= 1605, nxpk= 10, iat= -1,1139, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=1119,1120,1122,1123,
&end
#
# 74 ARG HG+ 75 ASN HN 5.50 (# 1606:10 Preassigned 4.28, 4.97 A)
&rst
ixpk= 1606, nxpk= 10, iat= -1,1139, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1122,1123,
&end
#
# 0 AMB 10-2:1607 75 ASN HN 7.00 (# 1607:10 Single Ambig )
&rst
ixpk= 1607, nxpk= 10, iat= -1,1139, r1= 0.00, r2= 1.80, r3=10.10, r4=10.85,
igr1=1094,1095,1096,1098,1099,1100,1218,1219,1220,
&end
#
# 0 AMB 10-2:1608 70 ARG HE 5.50 (# 1608:10 Single Ambig )
&rst
ixpk= 1608, nxpk= 10, iat= -1,1050, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1041,1042,1041,1042,
&end
#
# 70 ARG HG- 70 ARG HE 5.50 (# 1609:10 Preassigned 2.34, 3.12 A)
&rst
ixpk= 1609, nxpk= 10, iat= -1,1050, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1044,1045,
&end
#
# 92 GLU HN 91 CYS HN 4.00 (# 1610:10 Preassigned 2.65, 2.73 A)
&rst
ixpk= 1610, nxpk= 10, iat=1440,1429, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 87 ILE HA 91 CYS HN 6.00 (# 1612:10 Preassigned 3.52, 3.83 A)
&rst
ixpk= 1612, nxpk= 10, iat=1354,1429, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 91 CYS HB+ 91 CYS HN 4.00 (# 1613:10 Preassigned 2.48, 2.92 A)
&rst
ixpk= 1613, nxpk= 10, iat= -1,1429, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1433,1434,
&end
#
# 91 CYS HB- 91 CYS HN 5.50 (# 1614:10 Preassigned 2.48, 2.92 A)
&rst
ixpk= 1614, nxpk= 10, iat= -1,1429, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1433,1434,
&end
#
# 90 LEU HB- 91 CYS HN 5.50 (# 1615:10 Preassigned 2.74, 3.30 A)
&rst
ixpk= 1615, nxpk= 10, iat= -1,1429, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1414,1415,
&end
#
# 93 MET HN 91 CYS HN 5.50 (# 1616:10 Preassigned 4.05, 4.14 A)
&rst
ixpk= 1616, nxpk= 10, iat=1455,1429, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1619 91 CYS HN 7.00 (# 1619:10 Single Ambig )
&rst
ixpk= 1619, nxpk= 10, iat= -1,1429, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1462,1463,1378,1379,
&end
#
# 90 LEU HB+ 91 CYS HN 4.00 (# 1620:10 Preassigned 2.74, 3.30 A)
&rst
ixpk= 1620, nxpk= 10, iat= -1,1429, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1414,1415,
&end
#
# 98 ARG HB- 91 CYS HN 6.00 (# 1621:10 Preassigned 4.30, 5.55 A)
&rst
ixpk= 1621, nxpk= 10, iat= -1,1429, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1532,1533,
&end
#
# 90 LEU HG 91 CYS HN 6.00 (# 1622:10 Preassigned 3.76, 4.97 A)
&rst
ixpk= 1622, nxpk= 10, iat=1417,1429, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 131 LEU HN 129 THR HN 6.00 (# 1627:10 Preassigned 4.28, 4.52 A)
&rst
ixpk= 1627, nxpk= 10, iat=2068,2035, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 129 THR HB 129 THR HN 4.00 (# 1629:10 Preassigned 2.55, 2.58 A)
&rst
ixpk= 1629, nxpk= 10, iat=2039,2035, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 0 AMB 10-2:1630 129 THR HN 5.50 (# 1630:10 Single Ambig )
&rst
ixpk= 1630, nxpk= 10, iat= -1,2035, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1990,1980,
&end
#
# 128 TYR HB+ 129 THR HN 4.00 (# 1631:10 Preassigned 2.46, 3.22 A)
&rst
ixpk= 1631, nxpk= 10, iat= -1,2035, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=2018,2019,
&end
#
# 128 TYR HB- 129 THR HN 5.50 (# 1632:10 Preassigned 2.46, 3.22 A)
&rst
ixpk= 1632, nxpk= 10, iat= -1,2035, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2018,2019,
&end
#
# 0 AMB 10-2:1633 129 THR HN 7.00 (# 1633:10 Single Ambig )
&rst
ixpk= 1633, nxpk= 10, iat= -1,2035, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=2087,1978,
&end
#
# 128 TYR HD 129 THR HN 5.50 (# 1634:10 Preassigned 2.89, 4.46 A)
&rst
ixpk= 1634, nxpk= 10, iat= -1,2035, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2022,2031,
&end
#
# 70 ARG HH1+ 70 ARG HE 5.50 (# 1635:10 Preassigned 2.16, 3.10 A)
&rst
ixpk= 1635, nxpk= 10, iat= -1,1050, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1053,1054,
&end
#
# 70 ARG HD+ 70 ARG HE 5.50 (# 1636:10 Preassigned 2.27, 2.74 A)
&rst
ixpk= 1636, nxpk= 10, iat= -1,1050, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1047,1048,
&end
#
# 70 ARG HD- 70 ARG HE 5.50 (# 1637:10 Preassigned 2.27, 2.74 A)
&rst
ixpk= 1637, nxpk= 10, iat= -1,1050, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1047,1048,
&end
#
# 70 ARG HG+ 70 ARG HE 5.50 (# 1639:10 Preassigned 2.34, 3.12 A)
&rst
ixpk= 1639, nxpk= 10, iat= -1,1050, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1044,1045,
&end
#
# 121 ARG HD+ 121 ARG HE 4.00 (# 1640:10 Preassigned 2.27, 2.74 A)
&rst
ixpk= 1640, nxpk= 10, iat= -1,1918, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1915,1916,
&end
#
# 52 VAL MGY 121 ARG HE 5.50 (# 1641:10 Preassigned 2.43, 6.10 A)
&rst
ixpk= 1641, nxpk= 10, iat= -1,1918, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 778, 779, 780, 782, 783, 784,
&end
#
# 121 ARG HG+ 121 ARG HE 5.50 (# 1642:10 Preassigned 2.25, 3.03 A)
&rst
ixpk= 1642, nxpk= 10, iat= -1,1918, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1912,1913,
&end
#
# 128 TYR HN 129 THR HN 5.50 (# 1648:10 Preassigned 2.85, 2.90 A)
&rst
ixpk= 1648, nxpk= 10, iat=2014,2035, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 129 THR HA 129 THR HN 4.00 (# 1649:10 Preassigned 2.81, 2.83 A)
&rst
ixpk= 1649, nxpk= 10, iat=2037,2035, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 129 THR MG2 129 THR HN 5.50 (# 1650:10 Preassigned 4.39, 4.50 A)
&rst
ixpk= 1650, nxpk= 10, iat= -1,2035, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=2041,2042,2043,
&end
#
# 130 LEU HN 129 THR HN 4.00 (# 1651:10 Preassigned 2.72, 2.75 A)
&rst
ixpk= 1651, nxpk= 10, iat=2049,2035, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 141 ALA HN 142 LEU HN 4.00 (# 1652:10 Preassigned 2.61, 2.73 A)
&rst
ixpk= 1652, nxpk= 10, iat=2239,2249, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 142 LEU HA 142 LEU HN 5.50 (# 1653:10 Preassigned 2.84, 2.87 A)
&rst
ixpk= 1653, nxpk= 10, iat=2251,2249, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 139 ALA HA 142 LEU HN 5.50 (# 1654:10 Preassigned 3.09, 3.29 A)
&rst
ixpk= 1654, nxpk= 10, iat=2214,2249, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 142 LEU HB+ 142 LEU HN 2.80 (# 1655:10 Preassigned 2.22, 2.98 A)
&rst
ixpk= 1655, nxpk= 10, iat= -1,2249, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2253,2254,
&end
#
# 141 ALA MB 142 LEU HN 4.00 (# 1656:10 Preassigned 2.50, 3.47 A)
&rst
ixpk= 1656, nxpk= 10, iat= -1,2249, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1=2243,2244,2245,
&end
#
# 142 LEU MDX 142 LEU HN 5.50 (# 1657:10 Preassigned 3.61, 4.48 A)
&rst
ixpk= 1657, nxpk= 10, iat= -1,2249, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2258,2259,2260,2262,2263,2264,
&end
#
# 143 ASN HN 142 LEU HN 4.00 (# 1658:10 Preassigned 2.29, 2.71 A)
&rst
ixpk= 1658, nxpk= 10, iat=2268,2249, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 107 TRP HH2 142 LEU HN 5.50 (# 1659:10 Unique 6.32, 7.11 A)
&rst
ixpk= 1659, nxpk= 10, iat=1692,2249, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1660 142 LEU HN 7.00 (# 1660:10 Single Ambig )
&rst
ixpk= 1660, nxpk= 10, iat= -1,2249, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 442,1690,
&end
#
# 0 AMB 10-2:1661 142 LEU HN 5.50 (# 1661:10 Single Ambig )
&rst
ixpk= 1661, nxpk= 10, iat= -1,2249, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2224,2284,
&end
#
# 142 LEU HG 142 LEU HN 4.00 (# 1662:10 Preassigned 2.30, 2.48 A)
&rst
ixpk= 1662, nxpk= 10, iat=2256,2249, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 21 ARG HG+ 21 ARG HE 5.50 (# 1663:10 Unique 2.24, 3.36 A)
&rst
ixpk= 1663, nxpk= 10, iat= -1, 318, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 312, 313,
&end
#
# 21 ARG HD- 21 ARG HE 5.50 (# 1664:10 Preassigned 2.27, 2.63 A)
&rst
ixpk= 1664, nxpk= 10, iat= -1, 318, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 315, 316,
&end
#
# 21 ARG HB- 21 ARG HE 5.50 (# 1665:10 Preassigned 2.65, 3.82 A)
&rst
ixpk= 1665, nxpk= 10, iat= -1, 318, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 309, 310,
&end
#
# 21 ARG HB+ 21 ARG HE 5.50 (# 1666:10 Preassigned 2.65, 3.82 A)
&rst
ixpk= 1666, nxpk= 10, iat= -1, 318, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 309, 310,
&end
#
# 121 ARG HB+ 121 ARG HE 5.50 (# 1667:10 Preassigned 2.20, 4.00 A)
&rst
ixpk= 1667, nxpk= 10, iat= -1,1918, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1909,1910,
&end
#
# 121 ARG HH2+ 121 ARG HE 5.50 (# 1668:10 Preassigned 2.31, 3.68 A)
&rst
ixpk= 1668, nxpk= 10, iat= -1,1918, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1924,1925,
&end
#
# 121 ARG HH1+ 121 ARG HE 5.50 (# 1669:10 Preassigned 2.10, 3.01 A)
&rst
ixpk= 1669, nxpk= 10, iat= -1,1918, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1921,1922,
&end
#
# 27 HIS HN 26 TYR HN 4.00 (# 1670:10 Preassigned 2.36, 2.60 A)
&rst
ixpk= 1670, nxpk= 10, iat= 429, 408, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 26 TYR HD 26 TYR HN 5.50 (# 1671:10 Preassigned 3.04, 3.73 A)
&rst
ixpk= 1671, nxpk= 10, iat= -1, 408, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 416, 425,
&end
#
# 27 HIS HA 26 TYR HN 6.00 (# 1672:10 Preassigned 5.04, 5.27 A)
&rst
ixpk= 1672, nxpk= 10, iat= 431, 408, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 26 TYR HA 26 TYR HN 5.50 (# 1673:10 Preassigned 2.84, 2.91 A)
&rst
ixpk= 1673, nxpk= 10, iat= 410, 408, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 23 LEU HA 26 TYR HN 5.50 (# 1674:10 Preassigned 3.34, 3.46 A)
&rst
ixpk= 1674, nxpk= 10, iat= 350, 408, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 25 ARG HA 26 TYR HN 5.50 (# 1675:10 Unique 3.51, 3.59 A)
&rst
ixpk= 1675, nxpk= 10, iat= 386, 408, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1677 26 TYR HN 5.50 (# 1677:10 Single Ambig )
&rst
ixpk= 1677, nxpk= 10, iat= -1, 408, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 391, 392,2216,2217,2218,
&end
#
# 21 ARG HA 21 ARG HE 5.50 (# 1679:10 Preassigned 4.49, 4.97 A)
&rst
ixpk= 1679, nxpk= 10, iat= 307, 318, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 21 ARG HD+ 21 ARG HE 5.50 (# 1680:10 Preassigned 2.27, 2.63 A)
&rst
ixpk= 1680, nxpk= 10, iat= -1, 318, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 315, 316,
&end
#
# 0 AMB 10-2:1681 21 ARG HE 4.00 (# 1681:10 Single Ambig )
&rst
ixpk= 1681, nxpk= 10, iat= -1, 318, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1= 321, 322, 321, 322,
&end
#
# 60 LEU HA 21 ARG HE 6.00 (# 1683:10 Preassigned 2.33, 2.91 A)
&rst
ixpk= 1683, nxpk= 10, iat= 889, 318, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 60 LEU MDY 21 ARG HE 6.00 (# 1684:10 Preassigned 2.82, 5.85 A)
&rst
ixpk= 1684, nxpk= 10, iat= -1, 318, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 896, 897, 898, 900, 901, 902,
&end
#
# 133 ARG HH1+ 133 ARG HE 5.50 (# 1685:10 Preassigned 2.11, 2.97 A)
&rst
ixpk= 1685, nxpk= 10, iat= -1,2115, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2118,2119,
&end
#
# 133 ARG HD- 133 ARG HE 5.50 (# 1687:10 Preassigned 2.25, 2.70 A)
&rst
ixpk= 1687, nxpk= 10, iat= -1,2115, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2112,2113,
&end
#
# 133 ARG HD+ 133 ARG HE 5.50 (# 1688:10 Preassigned 2.25, 2.70 A)
&rst
ixpk= 1688, nxpk= 10, iat= -1,2115, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2112,2113,
&end
#
# 0 AMB 10-2:1689 133 ARG HE 5.50 (# 1689:10 Single Ambig )
&rst
ixpk= 1689, nxpk= 10, iat= -1,2115, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2106,2107,2106,2107,
&end
#
# 133 ARG HG+ 133 ARG HE 5.50 (# 1690:10 Preassigned 2.42, 3.18 A)
&rst
ixpk= 1690, nxpk= 10, iat= -1,2115, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2109,2110,
&end
#
# 133 ARG HG- 133 ARG HE 5.50 (# 1691:10 Preassigned 2.42, 3.18 A)
&rst
ixpk= 1691, nxpk= 10, iat= -1,2115, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2109,2110,
&end
#
# 130 LEU MDY 133 ARG HE 7.00 (# 1692:10 Preassigned 3.11, 6.47 A)
&rst
ixpk= 1692, nxpk= 10, iat= -1,2115, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1=2058,2059,2060,2062,2063,2064,
&end
#
# 74 ARG HD+ 74 ARG HE 5.50 (# 1693:10 Preassigned 2.25, 2.73 A)
&rst
ixpk= 1693, nxpk= 10, iat= -1,1128, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1125,1126,
&end
#
# 25 ARG HD- 25 ARG HE 5.50 (# 1695:10 Preassigned 2.28, 2.80 A)
&rst
ixpk= 1695, nxpk= 10, iat= -1, 397, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 394, 395,
&end
#
# 25 ARG HD+ 25 ARG HE 5.50 (# 1696:10 Preassigned 2.28, 2.80 A)
&rst
ixpk= 1696, nxpk= 10, iat= -1, 397, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 394, 395,
&end
#
# 25 ARG HG- 25 ARG HE 5.50 (# 1697:10 Preassigned 2.33, 2.82 A)
&rst
ixpk= 1697, nxpk= 10, iat= -1, 397, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 391, 392,
&end
#
# 0 AMB 10-2:1699 25 ARG HE 5.50 (# 1699:10 Single Ambig )
&rst
ixpk= 1699, nxpk= 10, iat= -1, 397, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 388, 389, 388, 389,
&end
#
# 25 ARG HG+ 25 ARG HE 7.00 (# 1700:10 Preassigned 2.33, 2.82 A)
&rst
ixpk= 1700, nxpk= 10, iat= -1, 397, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 391, 392,
&end
#
# 58 LEU MDY 25 ARG HE 6.00 (# 1701:10 Preassigned 2.91, 6.16 A)
&rst
ixpk= 1701, nxpk= 10, iat= -1, 397, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 866, 867, 868, 870, 871, 872,
&end
#
# 74 ARG HB+ 74 ARG HE 5.50 (# 1703:10 Preassigned 2.15, 3.99 A)
&rst
ixpk= 1703, nxpk= 10, iat= -1,1128, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1119,1120,
&end
#
# 0 AMB 10-2:1704 74 ARG HE 5.50 (# 1704:10 Single Ambig )
&rst
ixpk= 1704, nxpk= 10, iat= -1,1128, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1119,1120,1122,1123,
&end
#
# 74 ARG HG+ 74 ARG HE 5.50 (# 1705:10 Preassigned 2.39, 3.02 A)
&rst
ixpk= 1705, nxpk= 10, iat= -1,1128, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1122,1123,
&end
#
# 37 LEU MDX 38 GLY HN 5.50 (# 1706:10 Preassigned 3.80, 5.45 A)
&rst
ixpk= 1706, nxpk= 10, iat= -1, 594, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 584, 585, 586, 588, 589, 590,
&end
#
# 20 GLU HN 21 ARG HN 4.00 (# 1707:10 Preassigned 2.75, 2.81 A)
&rst
ixpk= 1707, nxpk= 10, iat= 290, 305, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 23 LEU HN 21 ARG HN 6.00 (# 1708:10 Preassigned 4.04, 4.27 A)
&rst
ixpk= 1708, nxpk= 10, iat= 348, 305, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 22 LEU HN 21 ARG HN 4.00 (# 1709:10 Preassigned 2.54, 2.68 A)
&rst
ixpk= 1709, nxpk= 10, iat= 329, 305, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 19 ALA HN 21 ARG HN 6.00 (# 1710:10 Preassigned 4.26, 4.36 A)
&rst
ixpk= 1710, nxpk= 10, iat= 280, 305, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:1711 21 ARG HN 7.00 (# 1711:10 Single Ambig )
&rst
ixpk= 1711, nxpk= 10, iat= -1, 305, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 324, 325, 324, 325,
&end
#
# 21 ARG HA 21 ARG HN 4.00 (# 1712:10 Preassigned 2.85, 2.88 A)
&rst
ixpk= 1712, nxpk= 10, iat= 307, 305, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 0 AMB 10-2:1713 21 ARG HN 5.50 (# 1713:10 Single Ambig )
&rst
ixpk= 1713, nxpk= 10, iat= -1, 305, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 292, 268,
&end
#
# 21 ARG HD+ 21 ARG HN 5.50 (# 1714:10 Preassigned 3.23, 4.18 A)
&rst
ixpk= 1714, nxpk= 10, iat= -1, 305, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 315, 316,
&end
#
# 20 GLU HB+ 21 ARG HN 4.00 (# 1715:10 Preassigned 2.59, 3.79 A)
&rst
ixpk= 1715, nxpk= 10, iat= -1, 305, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 294, 295,
&end
#
# 21 ARG HG- 21 ARG HN 2.80 (# 1716:10 Preassigned 2.14, 3.07 A)
&rst
ixpk= 1716, nxpk= 10, iat= -1, 305, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 312, 313,
&end
#
# 21 ARG HB+ 21 ARG HN 4.00 (# 1717:10 Preassigned 2.17, 2.98 A)
&rst
ixpk= 1717, nxpk= 10, iat= -1, 305, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 309, 310,
&end
#
# 60 LEU MDY 21 ARG HN 5.50 (# 1718:10 Preassigned 4.18, 6.69 A)
&rst
ixpk= 1718, nxpk= 10, iat= -1, 305, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 896, 897, 898, 900, 901, 902,
&end
#
# 21 ARG HD- 21 ARG HN 5.50 (# 1719:10 Preassigned 3.23, 4.18 A)
&rst
ixpk= 1719, nxpk= 10, iat= -1, 305, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 315, 316,
&end
#
# 58 LEU MDY 21 ARG HN 6.00 (# 1721:10 Preassigned 3.82, 5.78 A)
&rst
ixpk= 1721, nxpk= 10, iat= -1, 305, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 866, 867, 868, 870, 871, 872,
&end
#
# 37 LEU HN 38 GLY HN 4.00 (# 1722:10 Preassigned 1.92, 2.53 A)
&rst
ixpk= 1722, nxpk= 10, iat= 575, 594, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 39 ALA HN 38 GLY HN 5.50 (# 1724:10 Preassigned 2.72, 2.91 A)
&rst
ixpk= 1724, nxpk= 10, iat= 601, 594, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 36 GLY HA- 38 GLY HN 5.50 (# 1725:10 Preassigned 3.53, 4.00 A)
&rst
ixpk= 1725, nxpk= 10, iat= -1, 594, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 570, 571,
&end
#
# 38 GLY HA- 38 GLY HN 4.00 (# 1726:10 Preassigned 2.46, 2.76 A)
&rst
ixpk= 1726, nxpk= 10, iat= -1, 594, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 596, 597,
&end
#
# 37 LEU HA 38 GLY HN 5.50 (# 1727:10 Preassigned 3.53, 3.56 A)
&rst
ixpk= 1727, nxpk= 10, iat= 577, 594, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 39 ALA HA 38 GLY HN 6.00 (# 1728:10 Preassigned 3.60, 3.87 A)
&rst
ixpk= 1728, nxpk= 10, iat= 603, 594, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 38 GLY HA+ 38 GLY HN 4.00 (# 1730:10 Preassigned 2.46, 2.76 A)
&rst
ixpk= 1730, nxpk= 10, iat= -1, 594, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 596, 597,
&end
#
# 36 GLY HA+ 38 GLY HN 5.50 (# 1731:10 Preassigned 3.53, 4.00 A)
&rst
ixpk= 1731, nxpk= 10, iat= -1, 594, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 570, 571,
&end
#
# 37 LEU HB- 38 GLY HN 5.50 (# 1733:10 Preassigned 2.40, 3.17 A)
&rst
ixpk= 1733, nxpk= 10, iat= -1, 594, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 579, 580,
&end
#
# 37 LEU HB+ 38 GLY HN 4.00 (# 1734:10 Preassigned 2.40, 3.17 A)
&rst
ixpk= 1734, nxpk= 10, iat= -1, 594, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 579, 580,
&end
#
# 39 ALA MB 38 GLY HN 5.50 (# 1735:10 Preassigned 4.23, 5.12 A)
&rst
ixpk= 1735, nxpk= 10, iat= -1, 594, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 605, 606, 607,
&end
#
# 37 LEU MDY 38 GLY HN 5.50 (# 1737:10 Preassigned 3.80, 5.45 A)
&rst
ixpk= 1737, nxpk= 10, iat= -1, 594, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 584, 585, 586, 588, 589, 590,
&end
#
# 3 ASN HN 3 ASN HD2+ 5.50 (# 1738:10 Preassigned 4.35, 5.19 A)
&rst
ixpk= 1738, nxpk= 10, iat= 41, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 50, 51,
&end
#
# 0 AMB 10-2:1740 0 AMB 10-1:1740 4.00 (# 1740:10 Double Ambig )
&rst
ixpk= 1740, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
igr1= 45, 46, 45, 46,
igr2= 50, 51, 50, 51,
&end
#
# 32 VAL HN 0 AMB 10-1:1741 5.50 (# 1741:10 Single Ambig )
&rst
ixpk= 1741, nxpk= 10, iat= 516, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 379, 380, 379, 380,
&end
#
# 28 PRO HA 0 AMB 10-1:1742 4.00 (# 1742:10 Single Ambig )
&rst
ixpk= 1742, nxpk= 10, iat= 456, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr2= 379, 380, 379, 380,
&end
#
# 24 GLN HA 0 AMB 10-1:1743 4.00 (# 1743:10 Single Ambig )
&rst
ixpk= 1743, nxpk= 10, iat= 369, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr2= 379, 380, 379, 380,
&end
#
# 24 GLN HB- 0 AMB 10-1:1745 5.50 (# 1745:10 Single Ambig )
&rst
ixpk= 1745, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 371, 372,
igr2= 379, 380, 379, 380,
&end
#
# 32 VAL HB 0 AMB 10-1:1746 5.50 (# 1746:10 Single Ambig )
&rst
ixpk= 1746, nxpk= 10, iat= 520, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 379, 380, 379, 380,
&end
#
# 30 LEU HB- 0 AMB 10-1:1748 5.50 (# 1748:10 Single Ambig )
&rst
ixpk= 1748, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 479, 480,
igr2= 379, 380, 379, 380,
&end
#
# 0 AMB 10-2:1749 0 AMB 10-1:1749 7.00 (# 1749:10 Double Ambig )
&rst
ixpk= 1749, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.11, r4=11.86,
igr1= 479, 480, 479, 480,
igr2= 379, 380, 379, 380,
&end
#
# 32 VAL MGX 0 AMB 10-1:1750 5.50 (# 1750:10 Single Ambig )
&rst
ixpk= 1750, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 522, 523, 524, 526, 527, 528,
igr2= 379, 380, 379, 380,
&end
#
# 32 VAL MGY 0 AMB 10-1:1751 5.50 (# 1751:10 Single Ambig )
&rst
ixpk= 1751, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 522, 523, 524, 526, 527, 528,
igr2= 379, 380, 379, 380,
&end
#
# 0 AMB 10-2:1752 3 ASN HD2- 5.50 (# 1752:10 Single Ambig )
&rst
ixpk= 1752, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 41, 55,
igr2= 50, 51,
&end
#
# 0 AMB 10-2:1754 3 ASN HD2- 4.00 (# 1754:10 Single Ambig )
&rst
ixpk= 1754, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
igr1= 45, 46, 45, 46,
igr2= 50, 51,
&end
#
# 34 SER HN 66 ARG HE 7.00 (# 1755:10 Preassigned 3.38, 4.44 A)
&rst
ixpk= 1755, nxpk= 10, iat= 547, 979, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 35 ALA HA 66 ARG HE 5.50 (# 1758:10 Preassigned 2.60, 3.78 A)
&rst
ixpk= 1758, nxpk= 10, iat= 560, 979, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 66 ARG HD+ 66 ARG HE 5.50 (# 1759:10 Preassigned 2.25, 2.76 A)
&rst
ixpk= 1759, nxpk= 10, iat= -1, 979, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 976, 977,
&end
#
# 66 ARG HD- 66 ARG HE 5.50 (# 1760:10 Preassigned 2.25, 2.76 A)
&rst
ixpk= 1760, nxpk= 10, iat= -1, 979, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 976, 977,
&end
#
# 33 GLU HG- 66 ARG HE 6.00 (# 1761:10 Preassigned 4.27, 6.04 A)
&rst
ixpk= 1761, nxpk= 10, iat= -1, 979, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 539, 540,
&end
#
# 66 ARG HB+ 66 ARG HE 5.50 (# 1762:10 Preassigned 2.47, 4.07 A)
&rst
ixpk= 1762, nxpk= 10, iat= -1, 979, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 970, 971,
&end
#
# 0 AMB 10-2:1763 66 ARG HE 4.00 (# 1763:10 Single Ambig )
&rst
ixpk= 1763, nxpk= 10, iat= -1, 979, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1= 973, 974, 970, 971,
&end
#
# 66 ARG HG- 66 ARG HE 5.50 (# 1764:10 Preassigned 2.25, 2.95 A)
&rst
ixpk= 1764, nxpk= 10, iat= -1, 979, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 973, 974,
&end
#
# 72 LEU MDX 66 ARG HE 7.00 (# 1765:10 Preassigned 4.06, 6.63 A)
&rst
ixpk= 1765, nxpk= 10, iat= -1, 979, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1=1094,1095,1096,1098,1099,1100,
&end
#
# 72 LEU MDY 66 ARG HE 5.50 (# 1766:10 Preassigned 4.06, 6.63 A)
&rst
ixpk= 1766, nxpk= 10, iat= -1, 979, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1094,1095,1096,1098,1099,1100,
&end
#
# 6 LEU MDY 66 ARG HE 7.00 (# 1767:10 Preassigned 3.82, 6.82 A)
&rst
ixpk= 1767, nxpk= 10, iat= -1, 979, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 97, 98, 99, 101, 102, 103,
&end
#
# 82 MET HN 81 THR HN 6.00 (# 1768:10 Preassigned 4.22, 4.30 A)
&rst
ixpk= 1768, nxpk= 10, iat=1257,1243, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 104 PHE HD 81 THR HN 7.00 (# 1769:10 Preassigned 2.60, 4.88 A)
&rst
ixpk= 1769, nxpk= 10, iat= -1,1243, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1641,1649,
&end
#
# 0 AMB 10-2:1770 81 THR HN 2.80 (# 1770:10 Single Ambig )
&rst
ixpk= 1770, nxpk= 10, iat= -1,1243, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1226,1245,
&end
#
# 103 LEU HA 81 THR HN 4.00 (# 1771:10 Preassigned 2.31, 2.97 A)
&rst
ixpk= 1771, nxpk= 10, iat=1616,1243, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 81 THR HB 81 THR HN 5.50 (# 1772:10 Preassigned 3.25, 3.43 A)
&rst
ixpk= 1772, nxpk= 10, iat=1247,1243, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 104 PHE HB+ 81 THR HN 6.00 (# 1774:10 Preassigned 3.15, 5.07 A)
&rst
ixpk= 1774, nxpk= 10, iat= -1,1243, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1637,1638,
&end
#
# 103 LEU HB- 81 THR HN 5.50 (# 1775:10 Preassigned 3.69, 5.54 A)
&rst
ixpk= 1775, nxpk= 10, iat= -1,1243, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1618,1619,
&end
#
# 80 LEU HB+ 81 THR HN 5.50 (# 1776:10 Preassigned 2.47, 3.29 A)
&rst
ixpk= 1776, nxpk= 10, iat= -1,1243, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1228,1229,
&end
#
# 81 THR MG2 81 THR HN 5.50 (# 1777:10 Preassigned 2.52, 3.56 A)
&rst
ixpk= 1777, nxpk= 10, iat= -1,1243, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1249,1250,1251,
&end
#
# 103 LEU MDX 81 THR HN 5.50 (# 1779:10 Preassigned 3.93, 6.49 A)
&rst
ixpk= 1779, nxpk= 10, iat= -1,1243, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1623,1624,1625,1627,1628,1629,
&end
#
# 80 LEU MDY 81 THR HN 5.50 (# 1780:10 Preassigned 3.80, 5.32 A)
&rst
ixpk= 1780, nxpk= 10, iat= -1,1243, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1233,1234,1235,1237,1238,1239,
&end
#
# 104 PHE HN 81 THR HN 5.50 (# 1781:10 Preassigned 2.86, 3.13 A)
&rst
ixpk= 1781, nxpk= 10, iat=1633,1243, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 104 PHE HB- 81 THR HN 6.00 (# 1782:10 Unique 3.15, 5.07 A)
&rst
ixpk= 1782, nxpk= 10, iat= -1,1243, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1637,1638,
&end
#
# 0 AMB 10-2:1783 81 THR HN 7.00 (# 1783:10 Single Ambig )
&rst
ixpk= 1783, nxpk= 10, iat= -1,1243, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1601,1602,1604,1605,
&end
#
# 8 VAL HB 81 THR HN 6.00 (# 1784:10 Unique 5.76, 6.15 A)
&rst
ixpk= 1784, nxpk= 10, iat= 127,1243, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 103 LEU MDY 81 THR HN 5.50 (# 1785:10 Preassigned 3.93, 6.49 A)
&rst
ixpk= 1785, nxpk= 10, iat= -1,1243, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1623,1624,1625,1627,1628,1629,
&end
#
# 76 TYR HA 4 ASN HD2- 5.50 (# 1788:10 Preassigned 2.21, 3.79 A)
&rst
ixpk= 1788, nxpk= 10, iat=1155, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 64, 65,
&end
#
# 4 ASN HB- 4 ASN HD2- 5.50 (# 1789:10 Preassigned 2.31, 3.26 A)
&rst
ixpk= 1789, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 59, 60,
igr2= 64, 65,
&end
#
# 0 AMB 10-2:1790 4 ASN HD2- 5.50 (# 1790:10 Single Ambig )
&rst
ixpk= 1790, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 45, 46, 45, 46,
igr2= 64, 65,
&end
#
# 4 ASN HB+ 4 ASN HD2- 5.50 (# 1791:10 Preassigned 2.31, 3.26 A)
&rst
ixpk= 1791, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 59, 60,
igr2= 64, 65,
&end
#
# 104 PHE HA 81 THR HN 6.00 (# 1792:10 Preassigned 3.62, 4.62 A)
&rst
ixpk= 1792, nxpk= 10, iat=1635,1243, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 65 ALA HN 42 GLY HN 5.50 (# 1793:10 Preassigned 2.94, 3.47 A)
&rst
ixpk= 1793, nxpk= 10, iat= 956, 646, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 43 LYS HN 42 GLY HN 5.50 (# 1794:10 Preassigned 2.42, 2.76 A)
&rst
ixpk= 1794, nxpk= 10, iat= 653, 646, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 41 VAL HN 42 GLY HN 5.50 (# 1795:10 Preassigned 4.43, 4.49 A)
&rst
ixpk= 1795, nxpk= 10, iat= 630, 646, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 66 ARG HA 42 GLY HN 5.500 (# 1796:10 Unique 3.57, 4.28 A)
&rst
ixpk= 1796, nxpk= 10, iat= 968, 646, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 42 GLY HA+ 42 GLY HN 4.00 (# 1799:10 Preassigned 2.28, 2.67 A)
&rst
ixpk= 1799, nxpk= 10, iat= -1, 646, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 648, 649,
&end
#
# 41 VAL HB 42 GLY HN 5.50 (# 1801:10 Preassigned 4.10, 4.26 A)
&rst
ixpk= 1801, nxpk= 10, iat= 634, 646, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 65 ALA MB 42 GLY HN 4.00 (# 1802:10 Preassigned 2.16, 3.49 A)
&rst
ixpk= 1802, nxpk= 10, iat= -1, 646, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1= 960, 961, 962,
&end
#
# 41 VAL MGX 42 GLY HN 4.00 (# 1803:10 Preassigned 2.83, 4.42 A)
&rst
ixpk= 1803, nxpk= 10, iat= -1, 646, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1= 636, 637, 638, 640, 641, 642,
&end
#
# 42 GLY HA- 42 GLY HN 4.00 (# 1804:10 Preassigned 2.28, 2.67 A)
&rst
ixpk= 1804, nxpk= 10, iat= -1, 646, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 648, 649,
&end
#
# 41 VAL HA 42 GLY HN 4.00 (# 1805:10 Preassigned 2.11, 2.13 A)
&rst
ixpk= 1805, nxpk= 10, iat= 632, 646, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 4 ASN HN 4 ASN HD2+ 5.50 (# 1807:10 Preassigned 2.65, 4.83 A)
&rst
ixpk= 1807, nxpk= 10, iat= 55, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 64, 65,
&end
#
# 76 TYR HA 4 ASN HD2+ 5.50 (# 1808:10 Preassigned 2.21, 3.79 A)
&rst
ixpk= 1808, nxpk= 10, iat=1155, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 64, 65,
&end
#
# 4 ASN HB- 4 ASN HD2+ 5.50 (# 1809:10 Preassigned 2.31, 3.26 A)
&rst
ixpk= 1809, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 59, 60,
igr2= 64, 65,
&end
#
# 4 ASN HN 4 ASN HD2- 5.50 (# 1810:10 Preassigned 2.65, 4.83 A)
&rst
ixpk= 1810, nxpk= 10, iat= 55, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 64, 65,
&end
#
# 98 ARG HD+ 98 ARG HE 5.50 (# 1811:10 Preassigned 2.28, 2.76 A)
&rst
ixpk= 1811, nxpk= 10, iat= -1,1541, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1538,1539,
&end
#
# 98 ARG HD- 98 ARG HE 5.50 (# 1812:10 Preassigned 2.28, 2.76 A)
&rst
ixpk= 1812, nxpk= 10, iat= -1,1541, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1538,1539,
&end
#
# 95 PRO HB+ 98 ARG HE 5.50 (# 1813:10 Preassigned 2.90, 5.62 A)
&rst
ixpk= 1813, nxpk= 10, iat= -1,1541, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1489,1490,
&end
#
# 0 AMB 10-2:1814 98 ARG HE 5.50 (# 1814:10 Single Ambig )
&rst
ixpk= 1814, nxpk= 10, iat= -1,1541, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1532,1533,1535,1536,
&end
#
# 54 ALA HN 57 GLN HN 5.50 (# 1816:10 Preassigned 4.84, 5.13 A)
&rst
ixpk= 1816, nxpk= 10, iat= 798, 840, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 56 HIS HN 57 GLN HN 2.80 (# 1817:10 Preassigned 2.25, 2.63 A)
&rst
ixpk= 1817, nxpk= 10, iat= 823, 840, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 57 GLN HE2- 57 GLN HN 7.00 (# 1818:10 Preassigned 2.33, 3.42 A)
&rst
ixpk= 1818, nxpk= 10, iat= -1, 840, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 852, 853,
&end
#
# 56 HIS HA 57 GLN HN 4.00 (# 1820:10 Preassigned 3.00, 3.15 A)
&rst
ixpk= 1820, nxpk= 10, iat= 825, 840, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 54 ALA HA 57 GLN HN 4.00 (# 1821:10 Preassigned 2.91, 3.30 A)
&rst
ixpk= 1821, nxpk= 10, iat= 800, 840, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 56 HIS HB- 57 GLN HN 5.50 (# 1822:10 Preassigned 3.74, 4.17 A)
&rst
ixpk= 1822, nxpk= 10, iat= -1, 840, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 827, 828,
&end
#
# 0 AMB 10-2:1823 57 GLN HN 4.00 (# 1823:10 Single Ambig )
&rst
ixpk= 1823, nxpk= 10, iat= -1, 840, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1= 847, 848, 844, 845,
&end
#
# 0 AMB 10-2:1824 57 GLN HN 7.00 (# 1824:10 Single Ambig )
&rst
ixpk= 1824, nxpk= 10, iat= -1, 840, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 861, 862, 812, 813,
&end
#
# 54 ALA MB 57 GLN HN 5.50 (# 1825:10 Preassigned 4.38, 5.20 A)
&rst
ixpk= 1825, nxpk= 10, iat= -1, 840, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 802, 803, 804,
&end
#
# 56 HIS HD2 57 GLN HN 5.50 (# 1826:10 Preassigned 4.87, 5.24 A)
&rst
ixpk= 1826, nxpk= 10, iat= 836, 840, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 57 GLN HA 57 GLN HN 2.80 (# 1827:10 Preassigned 2.20, 2.23 A)
&rst
ixpk= 1827, nxpk= 10, iat= 842, 840, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 56 HIS HB+ 57 GLN HN 5.50 (# 1828:10 Preassigned 3.74, 4.17 A)
&rst
ixpk= 1828, nxpk= 10, iat= -1, 840, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 827, 828,
&end
#
# 73 CYS HB+ 73 CYS HN 4.00 (# 1829:10 Preassigned 2.31, 3.07 A)
&rst
ixpk= 1829, nxpk= 10, iat= -1,1104, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1108,1109,
&end
#
# 109 ASN HB- 109 ASN HD2+ 5.50 (# 1830:10 Preassigned 2.23, 3.34 A)
&rst
ixpk= 1830, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1717,1718,
igr2=1722,1723,
&end
#
# 100 LYS HN 99 GLY HN 5.50 (# 1832:10 Preassigned 2.65, 3.03 A)
&rst
ixpk= 1832, nxpk= 10, iat=1559,1552, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 98 ARG HG- 99 GLY HN 4.00 (# 1833:10 Preassigned 2.15, 3.67 A)
&rst
ixpk= 1833, nxpk= 10, iat= -1,1552, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1535,1536,
&end
#
# 110 GLU HA 109 ASN HN 5.50 (# 1834:10 Preassigned 3.63, 4.81 A)
&rst
ixpk= 1834, nxpk= 10, iat=1729,1713, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 109 ASN HB+ 109 ASN HN 4.00 (# 1835:10 Preassigned 2.85, 3.35 A)
&rst
ixpk= 1835, nxpk= 10, iat= -1,1713, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1717,1718,
&end
#
# 110 GLU HN 109 ASN HN 4.00 (# 1836:10 Preassigned 2.01, 2.72 A)
&rst
ixpk= 1836, nxpk= 10, iat=1727,1713, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 108 ASP HA 109 ASN HN 4.00 (# 1837:10 Preassigned 2.36, 2.76 A)
&rst
ixpk= 1837, nxpk= 10, iat=1703,1713, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 109 ASN HA 109 ASN HN 2.80 (# 1838:10 Preassigned 2.22, 2.30 A)
&rst
ixpk= 1838, nxpk= 10, iat=1715,1713, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:1839 109 ASN HN 5.50 (# 1839:10 Single Ambig )
&rst
ixpk= 1839, nxpk= 10, iat= -1,1713, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1717,1718,1746,1747,
&end
#
# 74 ARG HN 73 CYS HN 4.00 (# 1840:10 Preassigned 2.84, 2.92 A)
&rst
ixpk= 1840, nxpk= 10, iat=1115,1104, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 73 CYS HA 73 CYS HN 4.00 (# 1841:10 Preassigned 2.75, 2.79 A)
&rst
ixpk= 1841, nxpk= 10, iat=1106,1104, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 70 ARG HA 73 CYS HN 5.50 (# 1842:10 Preassigned 2.87, 3.16 A)
&rst
ixpk= 1842, nxpk= 10, iat=1039,1104, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 73 CYS HB- 73 CYS HN 4.00 (# 1843:10 Preassigned 2.31, 3.07 A)
&rst
ixpk= 1843, nxpk= 10, iat= -1,1104, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1108,1109,
&end
#
# 72 LEU HB+ 73 CYS HN 4.00 (# 1844:10 Preassigned 2.53, 3.11 A)
&rst
ixpk= 1844, nxpk= 10, iat= -1,1104, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1089,1090,
&end
#
# 72 LEU HB- 73 CYS HN 5.50 (# 1845:10 Preassigned 2.53, 3.11 A)
&rst
ixpk= 1845, nxpk= 10, iat= -1,1104, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1089,1090,
&end
#
# 72 LEU MDY 73 CYS HN 5.50 (# 1846:10 Preassigned 4.67, 5.70 A)
&rst
ixpk= 1846, nxpk= 10, iat= -1,1104, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1094,1095,1096,1098,1099,1100,
&end
#
# 72 LEU MDX 73 CYS HN 5.50 (# 1847:10 Preassigned 4.67, 5.70 A)
&rst
ixpk= 1847, nxpk= 10, iat= -1,1104, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1094,1095,1096,1098,1099,1100,
&end
#
# 68 ILE QD1 73 CYS HN 6.00 (# 1848:10 Preassigned 3.47, 4.40 A)
&rst
ixpk= 1848, nxpk= 10, iat= -1,1104, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1=1020,1021,1022,
&end
#
# 109 ASN HA 109 ASN HD2+ 5.50 (# 1850:10 Preassigned 2.26, 4.04 A)
&rst
ixpk= 1850, nxpk= 10, iat=1715, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1722,1723,
&end
#
# 109 ASN HB+ 109 ASN HD2+ 5.50 (# 1851:10 Preassigned 2.23, 3.34 A)
&rst
ixpk= 1851, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1717,1718,
igr2=1722,1723,
&end
#
# 68 ILE HN 67 GLN HE2+ 5.50 (# 1852:10 Preassigned 2.83, 4.30 A)
&rst
ixpk= 1852, nxpk= 10, iat=1007, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1002,1003,
&end
#
# 38 GLY HA- 67 GLN HE2+ 6.00 (# 1854:10 Preassigned 2.40, 4.65 A)
&rst
ixpk= 1854, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 596, 597,
igr2=1002,1003,
&end
#
# 67 GLN HA 67 GLN HE2+ 5.50 (# 1855:10 Preassigned 3.58, 4.57 A)
&rst
ixpk= 1855, nxpk= 10, iat= 992, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1002,1003,
&end
#
# 37 LEU HA 67 GLN HE2+ 5.50 (# 1856:10 Preassigned 3.15, 4.61 A)
&rst
ixpk= 1856, nxpk= 10, iat= 577, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1002,1003,
&end
#
# 67 GLN HG+ 67 GLN HE2+ 5.50 (# 1857:10 Preassigned 2.22, 3.25 A)
&rst
ixpk= 1857, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 997, 998,
igr2=1002,1003,
&end
#
# 0 AMB 10-2:1858 0 AMB 10-1:1858 7.00 (# 1858:10 Double Ambig )
&rst
ixpk= 1858, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1=1011, 579, 580,
igr2=1002,1003,1002,1003,
&end
#
# 0 AMB 10-2:1859 0 AMB 10-1:1859 5.50 (# 1859:10 Double Ambig )
&rst
ixpk= 1859, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=1013,1014,1015, 584, 585, 586, 588, 589, 590,
igr2=1002,1003,1002,1003,
&end
#
# 109 ASN HB- 109 ASN HD2- 5.50 (# 1861:10 Preassigned 2.23, 3.34 A)
&rst
ixpk= 1861, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1717,1718,
igr2=1722,1723,
&end
#
# 109 ASN HB+ 109 ASN HD2- 5.50 (# 1863:10 Preassigned 2.23, 3.34 A)
&rst
ixpk= 1863, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1717,1718,
igr2=1722,1723,
&end
#
# 39 ALA HN 67 GLN HE2- 6.00 (# 1864:10 Preassigned 3.44, 4.56 A)
&rst
ixpk= 1864, nxpk= 10, iat= 601, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1002,1003,
&end
#
# 38 GLY HA- 67 GLN HE2- 5.50 (# 1865:10 Preassigned 2.40, 4.65 A)
&rst
ixpk= 1865, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 596, 597,
igr2=1002,1003,
&end
#
# 67 GLN HA 67 GLN HE2- 7.00 (# 1866:10 Preassigned 3.58, 4.57 A)
&rst
ixpk= 1866, nxpk= 10, iat= 992, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1002,1003,
&end
#
# 37 LEU HA 67 GLN HE2- 5.50 (# 1867:10 Preassigned 3.15, 4.61 A)
&rst
ixpk= 1867, nxpk= 10, iat= 577, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1002,1003,
&end
#
# 38 GLY HA+ 67 GLN HE2- 6.00 (# 1868:10 Preassigned 2.40, 4.65 A)
&rst
ixpk= 1868, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 596, 597,
igr2=1002,1003,
&end
#
# 67 GLN HG+ 67 GLN HE2- 5.50 (# 1869:10 Preassigned 2.22, 3.25 A)
&rst
ixpk= 1869, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 997, 998,
igr2=1002,1003,
&end
#
# 68 ILE HB 67 GLN HE2- 6.00 (# 1870:10 Preassigned 4.56, 6.14 A)
&rst
ixpk= 1870, nxpk= 10, iat=1011, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1002,1003,
&end
#
# 37 LEU MDY 67 GLN HE2- 5.50 (# 1871:10 Preassigned 3.50, 7.12 A)
&rst
ixpk= 1871, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 584, 585, 586, 588, 589, 590,
igr2=1002,1003,
&end
#
# 66 ARG HH2+ 34 SER HN 5.50 (# 1872:10 Preassigned 2.02, 4.37 A)
&rst
ixpk= 1872, nxpk= 10, iat= -1, 547, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 985, 986,
&end
#
# 34 SER HA 34 SER HN 5.50 (# 1873:10 Preassigned 2.87, 2.95 A)
&rst
ixpk= 1873, nxpk= 10, iat= 549, 547, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1875 34 SER HN 7.00 (# 1875:10 Single Ambig )
&rst
ixpk= 1875, nxpk= 10, iat= -1, 547, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 90, 560,
&end
#
# 33 GLU HG+ 34 SER HN 5.50 (# 1876:10 Preassigned 1.91, 3.55 A)
&rst
ixpk= 1876, nxpk= 10, iat= -1, 547, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 539, 540,
&end
#
# 0 AMB 10-2:1877 34 SER HN 2.80 (# 1877:10 Single Ambig )
&rst
ixpk= 1877, nxpk= 10, iat= -1, 547, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 539, 540, 536, 537,
&end
#
# 33 GLU HB- 34 SER HN 4.00 (# 1878:10 Preassigned 2.13, 3.27 A)
&rst
ixpk= 1878, nxpk= 10, iat= -1, 547, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 536, 537,
&end
#
# 98 ARG HB- 99 GLY HN 5.50 (# 1879:10 Preassigned 2.28, 3.78 A)
&rst
ixpk= 1879, nxpk= 10, iat= -1,1552, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1532,1533,
&end
#
# 98 ARG HN 99 GLY HN 5.50 (# 1880:10 Preassigned 2.91, 3.97 A)
&rst
ixpk= 1880, nxpk= 10, iat=1528,1552, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 99 GLY HA+ 99 GLY HN 4.00 (# 1882:10 Preassigned 2.27, 2.59 A)
&rst
ixpk= 1882, nxpk= 10, iat= -1,1552, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1554,1555,
&end
#
# 98 ARG HA 99 GLY HN 4.00 (# 1883:10 Preassigned 2.34, 2.90 A)
&rst
ixpk= 1883, nxpk= 10, iat=1530,1552, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 99 GLY HA- 99 GLY HN 4.00 (# 1884:10 Preassigned 2.27, 2.59 A)
&rst
ixpk= 1884, nxpk= 10, iat= -1,1552, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1554,1555,
&end
#
# 98 ARG HG+ 99 GLY HN 5.50 (# 1885:10 Preassigned 2.15, 3.67 A)
&rst
ixpk= 1885, nxpk= 10, iat= -1,1552, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1535,1536,
&end
#
# 121 ARG HN 120 SER HN 6.00 (# 1887:10 Preassigned 4.57, 4.66 A)
&rst
ixpk= 1887, nxpk= 10, iat=1905,1894, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 119 LYS HA 120 SER HN 2.80 (# 1888:10 Preassigned 2.41, 2.53 A)
&rst
ixpk= 1888, nxpk= 10, iat=1874,1894, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 120 SER HB+ 120 SER HN 4.00 (# 1889:10 Preassigned 2.50, 3.05 A)
&rst
ixpk= 1889, nxpk= 10, iat= -1,1894, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1898,1899,
&end
#
# 0 AMB 10-2:1890 120 SER HN 2.80 (# 1890:10 Single Ambig )
&rst
ixpk= 1890, nxpk= 10, iat= -1,1894, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1876,1877,1876,1877,
&end
#
# 119 LYS HD- 120 SER HN 5.50 (# 1891:10 Preassigned 3.85, 5.13 A)
&rst
ixpk= 1891, nxpk= 10, iat= -1,1894, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1882,1883,
&end
#
# 119 LYS HG+ 120 SER HN 5.50 (# 1892:10 Preassigned 2.55, 4.29 A)
&rst
ixpk= 1892, nxpk= 10, iat= -1,1894, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1879,1880,
&end
#
# 119 LYS HG- 120 SER HN 5.50 (# 1893:10 Preassigned 2.55, 4.29 A)
&rst
ixpk= 1893, nxpk= 10, iat= -1,1894, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1879,1880,
&end
#
# 123 THR MG2 120 SER HN 5.50 (# 1894:10 Preassigned 4.04, 5.51 A)
&rst
ixpk= 1894, nxpk= 10, iat= -1,1894, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1950,1951,1952,
&end
#
# 119 LYS HN 120 SER HN 5.50 (# 1895:10 Preassigned 4.34, 4.51 A)
&rst
ixpk= 1895, nxpk= 10, iat=1872,1894, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1897 0 AMB 10-1:1897 4.00 (# 1897:10 Double Ambig )
&rst
ixpk= 1897, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
igr1=2314,2315,2314,2315,
igr2=2319,2320,2319,2320,
&end
#
# 56 HIS HA 57 GLN HE2+ 5.50 (# 1899:10 Preassigned 2.69, 4.78 A)
&rst
ixpk= 1899, nxpk= 10, iat= 825, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 852, 853,
&end
#
# 56 HIS HB+ 57 GLN HE2+ 5.50 (# 1900:10 Unique 4.99, 6.75 A)
&rst
ixpk= 1900, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 827, 828,
igr2= 852, 853,
&end
#
# 93 MET HG+ 67 GLN HE2+ 7.00 (# 1901:10 Unique 4.65, 7.66 A)
&rst
ixpk= 1901, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1462,1463,
igr2=1002,1003,
&end
#
# 67 GLN HG- 67 GLN HE2+ 4.00 (# 1902:10 Preassigned 2.22, 3.25 A)
&rst
ixpk= 1902, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1= 997, 998,
igr2=1002,1003,
&end
#
# 67 GLN HB- 67 GLN HE2+ 7.00 (# 1903:10 Preassigned 2.83, 4.48 A)
&rst
ixpk= 1903, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 994, 995,
igr2=1002,1003,
&end
#
# 0 AMB 10-2:1904 74 ARG HN 5.50 (# 1904:10 Single Ambig )
&rst
ixpk= 1904, nxpk= 10, iat= -1,1115, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1143,1144,1143,1144,
&end
#
# 0 AMB 10-2:1906 146 GLN HE2- 5.50 (# 1906:10 Single Ambig )
&rst
ixpk= 1906, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=2314,2315,2314,2315,
igr2=2319,2320,
&end
#
# 68 ILE HN 67 GLN HE2- 6.00 (# 1907:10 Preassigned 2.83, 4.30 A)
&rst
ixpk= 1907, nxpk= 10, iat=1007, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1002,1003,
&end
#
# 67 GLN HG- 67 GLN HE2- 5.50 (# 1908:10 Preassigned 2.22, 3.25 A)
&rst
ixpk= 1908, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 997, 998,
igr2=1002,1003,
&end
#
# 76 TYR HE 34 SER HN 6.00 (# 1910:10 Preassigned 5.47, 6.38 A)
&rst
ixpk= 1910, nxpk= 10, iat= -1, 547, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1163,1168,
&end
#
# 0 AMB 10-2:1911 34 SER HN 5.50 (# 1911:10 Single Ambig )
&rst
ixpk= 1911, nxpk= 10, iat= -1, 547, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 551, 552, 551, 552,
&end
#
# 0 AMB 10-2:1912 34 SER HN 5.50 (# 1912:10 Single Ambig )
&rst
ixpk= 1912, nxpk= 10, iat= -1, 547, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 297, 298, 294, 295,
&end
#
# 6 LEU MDY 34 SER HN 5.50 (# 1913:10 Preassigned 3.18, 5.52 A)
&rst
ixpk= 1913, nxpk= 10, iat= -1, 547, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 97, 98, 99, 101, 102, 103,
&end
#
# 57 GLN HN 57 GLN HE2+ 5.50 (# 1915:10 Preassigned 2.33, 3.42 A)
&rst
ixpk= 1915, nxpk= 10, iat= 840, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 852, 853,
&end
#
# 55 GLU HA 57 GLN HE2+ 5.50 (# 1916:10 Preassigned 2.82, 3.90 A)
&rst
ixpk= 1916, nxpk= 10, iat= 810, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 852, 853,
&end
#
# 57 GLN HA 57 GLN HE2+ 5.50 (# 1917:10 Preassigned 2.36, 3.81 A)
&rst
ixpk= 1917, nxpk= 10, iat= 842, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 852, 853,
&end
#
# 57 GLN HG- 57 GLN HE2+ 4.00 (# 1918:10 Unique 2.22, 3.36 A)
&rst
ixpk= 1918, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1= 847, 848,
igr2= 852, 853,
&end
#
# 0 AMB 10-2:1919 74 ARG HN 4.00 (# 1919:10 Single Ambig )
&rst
ixpk= 1919, nxpk= 10, iat= -1,1115, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1104,1085,
&end
#
# 75 ASN HN 74 ARG HN 2.80 (# 1920:10 Preassigned 2.54, 2.65 A)
&rst
ixpk= 1920, nxpk= 10, iat=1139,1115, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 74 ARG HA 74 ARG HN 4.00 (# 1921:10 Preassigned 2.84, 2.89 A)
&rst
ixpk= 1921, nxpk= 10, iat=1117,1115, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 0 AMB 10-2:1922 74 ARG HN 4.00 (# 1922:10 Single Ambig )
&rst
ixpk= 1922, nxpk= 10, iat= -1,1115, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1063,1106,
&end
#
# 0 AMB 10-2:1923 74 ARG HN 4.00 (# 1923:10 Single Ambig )
&rst
ixpk= 1923, nxpk= 10, iat= -1,1115, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=1125,1126,1108,1109,
&end
#
# 73 CYS HB+ 74 ARG HN 5.50 (# 1924:10 Preassigned 2.55, 3.25 A)
&rst
ixpk= 1924, nxpk= 10, iat= -1,1115, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1108,1109,
&end
#
# 74 ARG HB+ 74 ARG HN 4.00 (# 1926:10 Preassigned 2.21, 2.88 A)
&rst
ixpk= 1926, nxpk= 10, iat= -1,1115, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1119,1120,
&end
#
# 74 ARG HG+ 74 ARG HN 4.00 (# 1928:10 Preassigned 2.34, 3.49 A)
&rst
ixpk= 1928, nxpk= 10, iat= -1,1115, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1122,1123,
&end
#
# 0 AMB 10-2:1929 74 ARG HN 7.00 (# 1929:10 Single Ambig )
&rst
ixpk= 1929, nxpk= 10, iat= -1,1115, r1= 0.00, r2= 1.80, r3=10.10, r4=10.85,
igr1=1218,1219,1220,1094,1095,1096,1098,1099,1100,
&end
#
# 57 GLN HA 57 GLN HE2- 7.00 (# 1930:10 Preassigned 2.36, 3.81 A)
&rst
ixpk= 1930, nxpk= 10, iat= 842, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 852, 853,
&end
#
# 56 HIS HA 57 GLN HE2- 5.50 (# 1933:10 Preassigned 2.69, 4.78 A)
&rst
ixpk= 1933, nxpk= 10, iat= 825, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 852, 853,
&end
#
# 55 GLU HA 57 GLN HE2- 7.00 (# 1934:10 Preassigned 2.82, 3.90 A)
&rst
ixpk= 1934, nxpk= 10, iat= 810, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 852, 853,
&end
#
# 57 GLN HG- 57 GLN HE2- 5.50 (# 1935:10 Preassigned 2.22, 3.36 A)
&rst
ixpk= 1935, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 847, 848,
igr2= 852, 853,
&end
#
# 0 AMB 10-2:1939 0 AMB 10-1:1939 2.80 (# 1939:10 Double Ambig )
&rst
ixpk= 1939, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1143,1144,1143,1144,
igr2=1148,1149,1148,1149,
&end
#
# 72 LEU MDY 75 ASN HD2+ 5.50 (# 1941:10 Preassigned 3.85, 7.31 A)
&rst
ixpk= 1941, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1094,1095,1096,1098,1099,1100,
igr2=1148,1149,
&end
#
# 75 ASN HA 75 ASN HD2+ 5.50 (# 1942:10 Preassigned 2.65, 4.09 A)
&rst
ixpk= 1942, nxpk= 10, iat=1141, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1148,1149,
&end
#
# 72 LEU MDY 75 ASN HD2- 5.50 (# 1945:10 Preassigned 3.85, 7.31 A)
&rst
ixpk= 1945, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1094,1095,1096,1098,1099,1100,
igr2=1148,1149,
&end
#
# 75 ASN HA 75 ASN HD2- 5.50 (# 1947:10 Preassigned 2.65, 4.09 A)
&rst
ixpk= 1947, nxpk= 10, iat=1141, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1148,1149,
&end
#
# 0 AMB 10-2:1948 75 ASN HD2- 5.50 (# 1948:10 Single Ambig )
&rst
ixpk= 1948, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1143,1144,1143,1144,
igr2=1148,1149,
&end
#
# 72 LEU HG 75 ASN HD2- 5.50 (# 1949:10 Preassigned 4.57, 6.59 A)
&rst
ixpk= 1949, nxpk= 10, iat=1092, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1148,1149,
&end
#
# 61 GLU HN 62 GLY HN 6.00 (# 1950:10 Preassigned 2.78, 4.12 A)
&rst
ixpk= 1950, nxpk= 10, iat= 906, 921, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 63 HIS HN 62 GLY HN 5.50 (# 1951:10 Preassigned 2.35, 2.99 A)
&rst
ixpk= 1951, nxpk= 10, iat= 928, 921, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 62 GLY HA+ 62 GLY HN 4.00 (# 1953:10 Preassigned 2.27, 2.66 A)
&rst
ixpk= 1953, nxpk= 10, iat= -1, 921, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 923, 924,
&end
#
# 61 GLU HA 62 GLY HN 4.00 (# 1954:10 Preassigned 2.22, 2.78 A)
&rst
ixpk= 1954, nxpk= 10, iat= 908, 921, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 62 GLY HA- 62 GLY HN 4.00 (# 1955:10 Preassigned 2.27, 2.66 A)
&rst
ixpk= 1955, nxpk= 10, iat= -1, 921, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 923, 924,
&end
#
# 0 AMB 10-2:1956 62 GLY HN 5.50 (# 1956:10 Single Ambig )
&rst
ixpk= 1956, nxpk= 10, iat= -1, 921, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 913, 914, 913, 914,
&end
#
# 61 GLU HB+ 62 GLY HN 5.50 (# 1957:10 Preassigned 2.05, 3.49 A)
&rst
ixpk= 1957, nxpk= 10, iat= -1, 921, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 910, 911,
&end
#
# 61 GLU HB- 62 GLY HN 5.50 (# 1958:10 Preassigned 2.05, 3.49 A)
&rst
ixpk= 1958, nxpk= 10, iat= -1, 921, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 910, 911,
&end
#
# 109 ASN HB+ 110 GLU HN 5.50 (# 1959:10 Preassigned 4.05, 4.47 A)
&rst
ixpk= 1959, nxpk= 10, iat= -1,1727, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1717,1718,
&end
#
# 140 GLN HB- 143 ASN HD2- 5.50 (# 1960:10 Preassigned 4.43, 6.11 A)
&rst
ixpk= 1960, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2226,2227,
igr2=2277,2278,
&end
#
# 72 LEU MDX 75 ASN HD2- 7.00 (# 1961:10 Preassigned 3.85, 7.31 A)
&rst
ixpk= 1961, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1=1094,1095,1096,1098,1099,1100,
igr2=1148,1149,
&end
#
# 140 GLN HG+ 140 GLN HE2- 5.50 (# 1962:10 Preassigned 2.24, 3.28 A)
&rst
ixpk= 1962, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2229,2230,
igr2=2234,2235,
&end
#
# 140 GLN HA 143 ASN HD2+ 5.50 (# 1965:10 Preassigned 3.06, 4.39 A)
&rst
ixpk= 1965, nxpk= 10, iat=2224, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2277,2278,
&end
#
# 143 ASN HB+ 143 ASN HD2+ 4.00 (# 1966:10 Preassigned 2.19, 3.25 A)
&rst
ixpk= 1966, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=2272,2273,
igr2=2277,2278,
&end
#
# 143 ASN HB- 143 ASN HD2+ 4.00 (# 1967:10 Preassigned 2.19, 3.25 A)
&rst
ixpk= 1967, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=2272,2273,
igr2=2277,2278,
&end
#
# 140 GLN HG- 140 GLN HE2+ 5.50 (# 1970:10 Preassigned 2.24, 3.28 A)
&rst
ixpk= 1970, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2229,2230,
igr2=2234,2235,
&end
#
# 140 GLN HG+ 140 GLN HE2+ 5.50 (# 1971:10 Preassigned 2.24, 3.28 A)
&rst
ixpk= 1971, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2229,2230,
igr2=2234,2235,
&end
#
# 108 ASP HA 110 GLU HN 5.50 (# 1972:10 Preassigned 4.21, 4.70 A)
&rst
ixpk= 1972, nxpk= 10, iat=1703,1727, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 109 ASN HN 110 GLU HN 4.00 (# 1973:10 Preassigned 2.01, 2.72 A)
&rst
ixpk= 1973, nxpk= 10, iat=1713,1727, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 108 ASP HN 110 GLU HN 5.50 (# 1974:10 Preassigned 2.64, 3.12 A)
&rst
ixpk= 1974, nxpk= 10, iat=1701,1727, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 109 ASN HA 110 GLU HN 4.00 (# 1975:10 Preassigned 2.43, 2.77 A)
&rst
ixpk= 1975, nxpk= 10, iat=1715,1727, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 106 HIS HA 110 GLU HN 4.00 (# 1976:10 Preassigned 2.62, 3.19 A)
&rst
ixpk= 1976, nxpk= 10, iat=1662,1727, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 110 GLU HA 110 GLU HN 2.80 (# 1977:10 Preassigned 2.17, 2.21 A)
&rst
ixpk= 1977, nxpk= 10, iat=1729,1727, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 111 CYS HB+ 110 GLU HN 5.50 (# 1978:10 Preassigned 4.74, 5.52 A)
&rst
ixpk= 1978, nxpk= 10, iat= -1,1727, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1746,1747,
&end
#
# 110 GLU HG+ 110 GLU HN 5.50 (# 1979:10 Preassigned 2.73, 4.00 A)
&rst
ixpk= 1979, nxpk= 10, iat= -1,1727, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1734,1735,
&end
#
# 110 GLU HG- 110 GLU HN 5.50 (# 1980:10 Preassigned 2.73, 4.00 A)
&rst
ixpk= 1980, nxpk= 10, iat= -1,1727, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1734,1735,
&end
#
# 0 AMB 10-2:1981 110 GLU HN 4.00 (# 1981:10 Single Ambig )
&rst
ixpk= 1981, nxpk= 10, iat= -1,1727, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=1731,1732,1731,1732,
&end
#
# 103 LEU MDX 110 GLU HN 5.50 (# 1982:10 Preassigned 4.35, 7.29 A)
&rst
ixpk= 1982, nxpk= 10, iat= -1,1727, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1623,1624,1625,1627,1628,1629,
&end
#
# 140 GLN HA 143 ASN HD2- 5.50 (# 1985:10 Preassigned 3.06, 4.39 A)
&rst
ixpk= 1985, nxpk= 10, iat=2224, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2277,2278,
&end
#
# 143 ASN HB+ 143 ASN HD2- 5.50 (# 1986:10 Preassigned 2.19, 3.25 A)
&rst
ixpk= 1986, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2272,2273,
igr2=2277,2278,
&end
#
# 143 ASN HB- 143 ASN HD2- 5.50 (# 1987:10 Preassigned 2.19, 3.25 A)
&rst
ixpk= 1987, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2272,2273,
igr2=2277,2278,
&end
#
# 140 GLN HG- 140 GLN HE2- 5.50 (# 1992:10 Preassigned 2.24, 3.28 A)
&rst
ixpk= 1992, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2229,2230,
igr2=2234,2235,
&end
#
# 140 GLN HB+ 140 GLN HE2- 7.00 (# 1993:10 Preassigned 3.12, 4.37 A)
&rst
ixpk= 1993, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=2226,2227,
igr2=2234,2235,
&end
#
# 141 ALA HA 140 GLN HE2- 6.00 (# 1994:10 Preassigned 4.11, 6.77 A)
&rst
ixpk= 1994, nxpk= 10, iat=2241, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=2234,2235,
&end
#
# 17 PRO HD- 18 THR HN 5.50 (# 1995:10 Unique 2.70, 3.62 A)
&rst
ixpk= 1995, nxpk= 10, iat= -1, 266, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 253, 254,
&end
#
# 17 PRO HG+ 18 THR HN 5.50 (# 1996:10 Preassigned 2.19, 3.61 A)
&rst
ixpk= 1996, nxpk= 10, iat= -1, 266, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 256, 257,
&end
#
# 18 THR HB 18 THR HN 4.00 (# 1997:10 Preassigned 2.38, 2.60 A)
&rst
ixpk= 1997, nxpk= 10, iat= 270, 266, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 0 AMB 10-2:1998 18 THR HN 5.50 (# 1998:10 Single Ambig )
&rst
ixpk= 1998, nxpk= 10, iat= -1, 266, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 736, 737, 738, 336,
&end
#
# 0 AMB 10-2:1999 18 THR HN 5.50 (# 1999:10 Single Ambig )
&rst
ixpk= 1999, nxpk= 10, iat= -1, 266, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 896, 897, 898, 900, 901, 902, 896, 897, 898, 900,
901, 902,
&end
#
# 19 ALA HN 18 THR HN 4.00 (# 2007:10 Preassigned 2.62, 2.73 A)
&rst
ixpk= 2007, nxpk= 10, iat= 280, 266, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 18 THR HA 18 THR HN 4.00 (# 2009:10 Preassigned 2.77, 2.81 A)
&rst
ixpk= 2009, nxpk= 10, iat= 268, 266, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 18 THR MG2 18 THR HN 5.50 (# 2010:10 Preassigned 4.09, 4.38 A)
&rst
ixpk= 2010, nxpk= 10, iat= -1, 266, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 272, 273, 274,
&end
#
# 17 PRO HB+ 18 THR HN 5.50 (# 2011:10 Preassigned 2.42, 3.39 A)
&rst
ixpk= 2011, nxpk= 10, iat= -1, 266, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 259, 260,
&end
#
# 17 PRO HG- 18 THR HN 5.50 (# 2012:10 Preassigned 2.19, 3.61 A)
&rst
ixpk= 2012, nxpk= 10, iat= -1, 266, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 256, 257,
&end
#
# 20 GLU HN 18 THR HN 6.00 (# 2013:10 Preassigned 4.19, 4.41 A)
&rst
ixpk= 2013, nxpk= 10, iat= 290, 266, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 17 PRO HD+ 18 THR HN 5.50 (# 2014:10 Unique 2.70, 3.62 A)
&rst
ixpk= 2014, nxpk= 10, iat= -1, 266, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 253, 254,
&end
#
# 131 LEU MDX 18 THR HN 5.50 (# 2015:10 Preassigned 4.07, 5.95 A)
&rst
ixpk= 2015, nxpk= 10, iat= -1, 266, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2077,2078,2079,2081,2082,2083,
&end
#
# 17 PRO HB- 18 THR HN 5.50 (# 2016:10 Preassigned 2.42, 3.39 A)
&rst
ixpk= 2016, nxpk= 10, iat= -1, 266, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 259, 260,
&end
#
# 133 ARG HD- 137 GLN HE2+ 6.00 (# 2022:10 Preassigned 3.32, 5.33 A)
&rst
ixpk= 2022, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=2112,2113,
igr2=2183,2184,
&end
#
# 107 TRP HB- 137 GLN HE2+ 5.50 (# 2023:10 Preassigned 2.08, 3.92 A)
&rst
ixpk= 2023, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1681,1682,
igr2=2183,2184,
&end
#
# 137 GLN HG+ 137 GLN HE2+ 5.50 (# 2024:10 Preassigned 2.15, 3.23 A)
&rst
ixpk= 2024, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2178,2179,
igr2=2183,2184,
&end
#
# 133 ARG HG+ 137 GLN HE2+ 6.00 (# 2025:10 Preassigned 2.86, 4.85 A)
&rst
ixpk= 2025, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=2109,2110,
igr2=2183,2184,
&end
#
# 108 ASP HA 137 GLN HE2+ 5.50 (# 2026:10 Preassigned 2.44, 5.24 A)
&rst
ixpk= 2026, nxpk= 10, iat=1703, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2183,2184,
&end
#
# 137 GLN HA 137 GLN HE2+ 7.00 (# 2028:10 Preassigned 4.45, 5.16 A)
&rst
ixpk= 2028, nxpk= 10, iat=2173, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=2183,2184,
&end
#
# 107 TRP HB+ 137 GLN HE2+ 5.50 (# 2029:10 Preassigned 2.08, 3.92 A)
&rst
ixpk= 2029, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1681,1682,
igr2=2183,2184,
&end
#
# 108 ASP HB+ 137 GLN HE2+ 6.00 (# 2030:10 Preassigned 2.93, 6.60 A)
&rst
ixpk= 2030, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1705,1706,
igr2=2183,2184,
&end
#
# 137 GLN HG- 137 GLN HE2+ 4.00 (# 2031:10 Preassigned 2.15, 3.23 A)
&rst
ixpk= 2031, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=2178,2179,
igr2=2183,2184,
&end
#
# 133 ARG HG- 137 GLN HE2+ 5.50 (# 2032:10 Preassigned 2.86, 4.85 A)
&rst
ixpk= 2032, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2109,2110,
igr2=2183,2184,
&end
#
# 133 ARG HE 137 GLN HE2- 7.00 (# 2033:10 Preassigned 2.56, 4.66 A)
&rst
ixpk= 2033, nxpk= 10, iat=2115, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=2183,2184,
&end
#
# 108 ASP HN 137 GLN HE2- 5.50 (# 2034:10 Preassigned 4.84, 6.11 A)
&rst
ixpk= 2034, nxpk= 10, iat=1701, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2183,2184,
&end
#
# 108 ASP HA 137 GLN HE2- 5.50 (# 2036:10 Preassigned 2.44, 5.24 A)
&rst
ixpk= 2036, nxpk= 10, iat=1703, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2183,2184,
&end
#
# 107 TRP HB+ 137 GLN HE2- 5.50 (# 2037:10 Preassigned 2.08, 3.92 A)
&rst
ixpk= 2037, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1681,1682,
igr2=2183,2184,
&end
#
# 108 ASP HB+ 137 GLN HE2- 6.00 (# 2038:10 Preassigned 2.93, 6.60 A)
&rst
ixpk= 2038, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1705,1706,
igr2=2183,2184,
&end
#
# 107 TRP HB- 137 GLN HE2- 5.50 (# 2039:10 Preassigned 2.08, 3.92 A)
&rst
ixpk= 2039, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1681,1682,
igr2=2183,2184,
&end
#
# 140 GLN HG- 137 GLN HE2- 7.00 (# 2040:10 Preassigned 5.86, 7.28 A)
&rst
ixpk= 2040, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=2229,2230,
igr2=2183,2184,
&end
#
# 137 GLN HG- 137 GLN HE2- 5.50 (# 2041:10 Preassigned 2.15, 3.23 A)
&rst
ixpk= 2041, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2178,2179,
igr2=2183,2184,
&end
#
# 133 ARG HG- 137 GLN HE2- 5.50 (# 2042:10 Preassigned 2.86, 4.85 A)
&rst
ixpk= 2042, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2109,2110,
igr2=2183,2184,
&end
#
# 137 GLN HA 137 GLN HE2- 5.50 (# 2043:10 Preassigned 4.45, 5.16 A)
&rst
ixpk= 2043, nxpk= 10, iat=2173, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2183,2184,
&end
#
# 133 ARG HD- 137 GLN HE2- 5.50 (# 2044:10 Preassigned 3.32, 5.33 A)
&rst
ixpk= 2044, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2112,2113,
igr2=2183,2184,
&end
#
# 137 GLN HG+ 137 GLN HE2- 5.50 (# 2045:10 Preassigned 2.15, 3.23 A)
&rst
ixpk= 2045, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2178,2179,
igr2=2183,2184,
&end
#
# 133 ARG HG+ 137 GLN HE2- 7.00 (# 2046:10 Preassigned 2.86, 4.85 A)
&rst
ixpk= 2046, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=2109,2110,
igr2=2183,2184,
&end
#
# 103 LEU MDX 105 GLY HN 6.00 (# 2060:10 Preassigned 1.94, 4.13 A)
&rst
ixpk= 2060, nxpk= 10, iat= -1,1653, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1623,1624,1625,1627,1628,1629,
&end
#
# 104 PHE HN 105 GLY HN 5.50 (# 2061:10 Preassigned 2.63, 2.86 A)
&rst
ixpk= 2061, nxpk= 10, iat=1633,1653, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 106 HIS HN 105 GLY HN 5.50 (# 2062:10 Preassigned 2.74, 2.94 A)
&rst
ixpk= 2062, nxpk= 10, iat=1660,1653, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 104 PHE HD 105 GLY HN 5.50 (# 2063:10 Preassigned 4.37, 5.25 A)
&rst
ixpk= 2063, nxpk= 10, iat= -1,1653, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1641,1649,
&end
#
# 105 GLY HA+ 105 GLY HN 4.00 (# 2064:10 Preassigned 2.26, 2.58 A)
&rst
ixpk= 2064, nxpk= 10, iat= -1,1653, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1655,1656,
&end
#
# 0 AMB 10-2:2066 105 GLY HN 5.50 (# 2066:10 Single Ambig )
&rst
ixpk= 2066, nxpk= 10, iat= -1,1653, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1755,1616,
&end
#
# 105 GLY HA- 105 GLY HN 4.00 (# 2067:10 Preassigned 2.26, 2.58 A)
&rst
ixpk= 2067, nxpk= 10, iat= -1,1653, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1655,1656,
&end
#
# 104 PHE HB+ 105 GLY HN 5.50 (# 2068:10 Preassigned 2.74, 3.24 A)
&rst
ixpk= 2068, nxpk= 10, iat= -1,1653, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1637,1638,
&end
#
# 103 LEU HB- 105 GLY HN 4.00 (# 2070:10 Preassigned 2.43, 4.27 A)
&rst
ixpk= 2070, nxpk= 10, iat= -1,1653, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1618,1619,
&end
#
# 103 LEU HB+ 105 GLY HN 5.50 (# 2071:10 Preassigned 2.43, 4.27 A)
&rst
ixpk= 2071, nxpk= 10, iat= -1,1653, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1618,1619,
&end
#
# 103 LEU MDY 105 GLY HN 5.50 (# 2072:10 Preassigned 1.94, 4.13 A)
&rst
ixpk= 2072, nxpk= 10, iat= -1,1653, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1623,1624,1625,1627,1628,1629,
&end
#
# 113 ILE QD1 105 GLY HN 5.50 (# 2073:10 Preassigned 3.39, 4.95 A)
&rst
ixpk= 2073, nxpk= 10, iat= -1,1653, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1781,1782,1783,
&end
#
# 45 ALA HN 44 GLY HN 5.50 (# 2075:10 Preassigned 2.57, 4.26 A)
&rst
ixpk= 2075, nxpk= 10, iat= 682, 675, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 43 LYS HB- 44 GLY HN 5.50 (# 2076:10 Preassigned 2.51, 3.77 A)
&rst
ixpk= 2076, nxpk= 10, iat= -1, 675, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 657, 658,
&end
#
# 0 AMB 10-2:2078 44 GLY HN 5.50 (# 2078:10 Single Ambig )
&rst
ixpk= 2078, nxpk= 10, iat= -1, 675, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 660, 661, 960, 961, 962,
&end
#
# 44 GLY HA+ 44 GLY HN 4.00 (# 2079:10 Preassigned 2.33, 2.68 A)
&rst
ixpk= 2079, nxpk= 10, iat= -1, 675, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 677, 678,
&end
#
# 43 LYS HA 44 GLY HN 4.00 (# 2080:10 Preassigned 2.25, 2.54 A)
&rst
ixpk= 2080, nxpk= 10, iat= 655, 675, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 43 LYS HB+ 44 GLY HN 5.50 (# 2081:10 Preassigned 2.51, 3.77 A)
&rst
ixpk= 2081, nxpk= 10, iat= -1, 675, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 657, 658,
&end
#
# 80 LEU MDX 80 LEU HN 5.50 (# 2082:10 Preassigned 2.25, 4.18 A)
&rst
ixpk= 2082, nxpk= 10, iat= -1,1224, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1233,1234,1235,1237,1238,1239,
&end
#
# 24 GLN HN 25 ARG HN 4.00 (# 2083:10 Preassigned 2.79, 2.82 A)
&rst
ixpk= 2083, nxpk= 10, iat= 367, 384, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 99 GLY HN 100 LYS HN 4.00 (# 2084:10 Preassigned 2.65, 3.03 A)
&rst
ixpk= 2084, nxpk= 10, iat=1552,1559, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 101 VAL HN 100 LYS HN 4.00 (# 2085:10 Preassigned 1.91, 2.37 A)
&rst
ixpk= 2085, nxpk= 10, iat=1581,1559, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 99 GLY HA- 100 LYS HN 5.50 (# 2086:10 Preassigned 2.74, 3.29 A)
&rst
ixpk= 2086, nxpk= 10, iat= -1,1559, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1554,1555,
&end
#
# 98 ARG HA 100 LYS HN 5.50 (# 2087:10 Preassigned 3.07, 3.68 A)
&rst
ixpk= 2087, nxpk= 10, iat=1530,1559, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:2089 35 ALA HN 5.50 (# 2089:10 Single Ambig )
&rst
ixpk= 2089, nxpk= 10, iat= -1, 558, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 107, 547,
&end
#
# 34 SER HA 35 ALA HN 4.00 (# 2090:10 Preassigned 2.42, 2.54 A)
&rst
ixpk= 2090, nxpk= 10, iat= 549, 558, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 7 VAL MGX 35 ALA HN 6.00 (# 2091:10 Preassigned 3.67, 6.17 A)
&rst
ixpk= 2091, nxpk= 10, iat= -1, 558, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 113, 114, 115, 117, 118, 119,
&end
#
# 8 VAL HA 35 ALA HN 4.00 (# 2093:10 Preassigned 2.73, 3.05 A)
&rst
ixpk= 2093, nxpk= 10, iat= 125, 558, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 35 ALA HA 35 ALA HN 4.00 (# 2095:10 Preassigned 2.69, 2.76 A)
&rst
ixpk= 2095, nxpk= 10, iat= 560, 558, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 0 AMB 10-2:2096 35 ALA HN 4.00 (# 2096:10 Single Ambig )
&rst
ixpk= 2096, nxpk= 10, iat= -1, 558, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1= 551, 552, 551, 552,
&end
#
# 35 ALA MB 35 ALA HN 4.00 (# 2097:10 Preassigned 2.97, 3.65 A)
&rst
ixpk= 2097, nxpk= 10, iat= -1, 558, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1= 562, 563, 564,
&end
#
# 8 VAL MGY 35 ALA HN 5.50 (# 2098:10 Preassigned 3.32, 5.24 A)
&rst
ixpk= 2098, nxpk= 10, iat= -1, 558, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 129, 130, 131, 133, 134, 135,
&end
#
# 6 LEU MDY 35 ALA HN 5.50 (# 2099:10 Preassigned 3.58, 5.49 A)
&rst
ixpk= 2099, nxpk= 10, iat= -1, 558, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 97, 98, 99, 101, 102, 103,
&end
#
# 36 GLY HN 35 ALA HN 5.50 (# 2101:10 Preassigned 4.22, 4.27 A)
&rst
ixpk= 2101, nxpk= 10, iat= 568, 558, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 23 LEU HA 24 GLN HN 5.50 (# 2103:10 Preassigned 3.59, 3.61 A)
&rst
ixpk= 2103, nxpk= 10, iat= 350, 367, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 20 GLU HG- 33 GLU HN 5.50 (# 2104:10 Preassigned 3.65, 5.79 A)
&rst
ixpk= 2104, nxpk= 10, iat= -1, 532, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 297, 298,
&end
#
# 39 ALA MB 36 GLY HN 4.00 (# 2105:10 Preassigned 2.22, 3.39 A)
&rst
ixpk= 2105, nxpk= 10, iat= -1, 568, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1= 605, 606, 607,
&end
#
# 60 LEU HG 60 LEU HN 5.50 (# 2107:10 Preassigned 2.07, 3.20 A)
&rst
ixpk= 2107, nxpk= 10, iat= 894, 887, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 132 GLU HA 135 ALA HN 4.00 (# 2108:10 Preassigned 2.94, 3.15 A)
&rst
ixpk= 2108, nxpk= 10, iat=2089,2137, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 79 ILE HA 80 LEU HN 2.80 (# 2109:10 Preassigned 2.24, 2.33 A)
&rst
ixpk= 2109, nxpk= 10, iat=1207,1224, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 42 GLY HA+ 43 LYS HN 5.50 (# 2110:10 Preassigned 2.98, 3.34 A)
&rst
ixpk= 2110, nxpk= 10, iat= -1, 653, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 648, 649,
&end
#
# 64 CYS HA 43 LYS HN 5.50 (# 2111:10 Preassigned 5.40, 5.54 A)
&rst
ixpk= 2111, nxpk= 10, iat= 947, 653, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 55 GLU HB- 55 GLU HN 2.80 (# 2112:10 Preassigned 2.14, 2.64 A)
&rst
ixpk= 2112, nxpk= 10, iat= -1, 808, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 812, 813,
&end
#
# 53 ALA MB 55 GLU HN 5.50 (# 2113:10 Preassigned 4.81, 5.52 A)
&rst
ixpk= 2113, nxpk= 10, iat= -1, 808, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 792, 793, 794,
&end
#
# 16 SER HA 20 GLU HN 5.50 (# 2115:10 Preassigned 3.39, 3.70 A)
&rst
ixpk= 2115, nxpk= 10, iat= 243, 290, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 20 GLU HN 22 LEU HN 5.50 (# 2118:10 Preassigned 4.20, 4.29 A)
&rst
ixpk= 2118, nxpk= 10, iat= 290, 329, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 100 LYS HA 100 LYS HN 4.00 (# 2119:10 Preassigned 2.92, 2.96 A)
&rst
ixpk= 2119, nxpk= 10, iat=1561,1559, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 0 AMB 10-2:2120 0 AMB 10-1:2120 5.50 (# 2120:10 Double Ambig )
&rst
ixpk= 2120, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 88, 429,
igr2=1186, 384,
&end
#
# 86 HIS HD2 82 MET HN 5.50 (# 2121:10 Preassigned 1.90, 2.92 A)
&rst
ixpk= 2121, nxpk= 10, iat=1348,1257, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 104 PHE HN 138 TRP HE1 5.50 (# 2127:10 Preassigned 3.59, 4.37 A)
&rst
ixpk= 2127, nxpk= 10, iat=1633,2198, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 32 VAL MGX 32 VAL HN 4.00 (# 2128:10 Preassigned 2.58, 4.20 A)
&rst
ixpk= 2128, nxpk= 10, iat= -1, 516, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1= 522, 523, 524, 526, 527, 528,
&end
#
# 101 VAL HN 99 GLY HN 5.50 (# 2129:10 Preassigned 2.75, 3.62 A)
&rst
ixpk= 2129, nxpk= 10, iat=1581,1552, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 79 ILE HN 102 MET HN 5.50 (# 2130:10 Preassigned 3.83, 4.08 A)
&rst
ixpk= 2130, nxpk= 10, iat=1205,1597, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 42 GLY HN 65 ALA HN 5.50 (# 2131:10 Preassigned 2.94, 3.47 A)
&rst
ixpk= 2131, nxpk= 10, iat= 646, 956, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 111 CYS HN 105 GLY HN 6.00 (# 2132:10 Preassigned 4.25, 5.55 A)
&rst
ixpk= 2132, nxpk= 10, iat=1742,1653, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 27 HIS HE1 143 ASN HD2- 7.00 (# 2133:10 Unique 4.70, 6.62 A)
&rst
ixpk= 2133, nxpk= 10, iat= 439, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=2277,2278,
&end
#
# 124 PHE HD 120 SER HN 6.00 (# 2135:10 Unique 4.91, 7.48 A)
&rst
ixpk= 2135, nxpk= 10, iat= -1,1894, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1966,1974,
&end
#
# 26 TYR HB+ 26 TYR HN 4.00 (# 2143:10 Preassigned 2.41, 3.06 A)
&rst
ixpk= 2143, nxpk= 10, iat= -1, 408, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 412, 413,
&end
#
# 24 GLN HN 26 TYR HN 6.00 (# 2144:10 Unique 4.14, 4.28 A)
&rst
ixpk= 2144, nxpk= 10, iat= 367, 408, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 35 ALA HN 34 SER HN 5.50 (# 2145:10 Preassigned 4.38, 4.47 A)
&rst
ixpk= 2145, nxpk= 10, iat= 558, 547, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 33 GLU HN 34 SER HN 5.50 (# 2146:10 Preassigned 4.34, 4.38 A)
&rst
ixpk= 2146, nxpk= 10, iat= 532, 547, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 63 HIS HD2 44 GLY HN 5.500 (# 2147:10 Preassigned 3.46, 6.02 A)
&rst
ixpk= 2147, nxpk= 10, iat= 941, 675, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 65 ALA HN 44 GLY HN 6.00 (# 2148:10 Preassigned 2.45, 4.57 A)
&rst
ixpk= 2148, nxpk= 10, iat= 956, 675, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 43 LYS HN 44 GLY HN 5.50 (# 2149:10 Preassigned 2.67, 4.37 A)
&rst
ixpk= 2149, nxpk= 10, iat= 653, 675, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 44 GLY HA- 44 GLY HN 2.80 (# 2150:10 Preassigned 2.33, 2.68 A)
&rst
ixpk= 2150, nxpk= 10, iat= -1, 675, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 677, 678,
&end
#
# 0 AMB 10-2:2151 136 ARG HN 5.50 (# 2151:10 Single Ambig )
&rst
ixpk= 2151, nxpk= 10, iat= -1,2147, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2094,2095,2178,2179,
&end
#
# 137 GLN HG+ 136 ARG HN 5.50 (# 2152:10 Preassigned 4.43, 5.11 A)
&rst
ixpk= 2152, nxpk= 10, iat= -1,2147, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2178,2179,
&end
#
# 131 LEU MDY 131 LEU HN 5.50 (# 2153:10 Preassigned 1.96, 4.11 A)
&rst
ixpk= 2153, nxpk= 10, iat= -1,2068, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2077,2078,2079,2081,2082,2083,
&end
#
# 41 VAL HA 65 ALA HN 6.00 (# 2154:10 Preassigned 3.74, 4.48 A)
&rst
ixpk= 2154, nxpk= 10, iat= 632, 956, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 43 LYS HB- 65 ALA HN 5.50 (# 2155:10 Preassigned 3.39, 4.60 A)
&rst
ixpk= 2155, nxpk= 10, iat= -1, 956, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 657, 658,
&end
#
# 43 LYS HB+ 65 ALA HN 6.00 (# 2156:10 Unique 3.39, 4.60 A)
&rst
ixpk= 2156, nxpk= 10, iat= -1, 956, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 657, 658,
&end
#
# 80 LEU MDY 104 PHE HN 6.00 (# 2158:10 Preassigned 4.50, 6.60 A)
&rst
ixpk= 2158, nxpk= 10, iat= -1,1633, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1233,1234,1235,1237,1238,1239,
&end
#
# 82 MET ME 104 PHE HN 7.00 (# 2159:10 Preassigned 4.66, 6.02 A)
&rst
ixpk= 2159, nxpk= 10, iat= -1,1633, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1=1268,1269,1270,
&end
#
# 103 LEU MDY 82 MET HN 6.00 (# 2160:10 Preassigned 3.80, 6.72 A)
&rst
ixpk= 2160, nxpk= 10, iat= -1,1257, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1623,1624,1625,1627,1628,1629,
&end
#
# 82 MET ME 82 MET HN 7.00 (# 2161:10 Preassigned 4.40, 5.49 A)
&rst
ixpk= 2161, nxpk= 10, iat= -1,1257, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1=1268,1269,1270,
&end
#
# 0 AMB 10-2:2162 82 MET HN 7.00 (# 2162:10 Single Ambig )
&rst
ixpk= 2162, nxpk= 10, iat= -1,1257, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1281,1282,1618,1619,
&end
#
# 86 HIS HB+ 82 MET HN 6.00 (# 2163:10 Preassigned 3.44, 4.30 A)
&rst
ixpk= 2163, nxpk= 10, iat= -1,1257, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1339,1340,
&end
#
# 112 GLU HA 112 GLU HN 4.00 (# 2164:10 Preassigned 2.83, 2.90 A)
&rst
ixpk= 2164, nxpk= 10, iat=1755,1753, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 114 PRO HD- 113 ILE HN 5.50 (# 2167:10 Preassigned 4.66, 5.00 A)
&rst
ixpk= 2167, nxpk= 10, iat= -1,1768, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1788,1789,
&end
#
# 108 ASP HA 111 CYS HN 5.50 (# 2168:10 Preassigned 4.79, 5.10 A)
&rst
ixpk= 2168, nxpk= 10, iat=1703,1742, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:2169 146 GLN HN 4.00 (# 2169:10 Single Ambig )
&rst
ixpk= 2169, nxpk= 10, iat= -1,2307, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=2314,2315,2314,2315,
&end
#
# 40 LEU HN 67 GLN HN 6.00 (# 2175:10 Preassigned 6.71, 6.99 A)
&rst
ixpk= 2175, nxpk= 10, iat= 611, 990, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 67 GLN HE2+ 67 GLN HN 7.00 (# 2176:10 Preassigned 5.47, 6.33 A)
&rst
ixpk= 2176, nxpk= 10, iat= -1, 990, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1002,1003,
&end
#
# 0 AMB 10-2:2178 126 ALA HN 3.50 (# 2178:10 Single Ambig )
&rst
ixpk= 2178, nxpk= 10, iat= -1,1988, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1946,1931,
&end
#
# 0 AMB 10-2:2179 126 ALA HN 3.50 (# 2179:10 Single Ambig )
&rst
ixpk= 2179, nxpk= 10, iat= -1,1988, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1990,1980,
&end
#
# 76 TYR HD 33 GLU HN 6.00 (# 2180:10 Preassigned 4.45, 6.30 A)
&rst
ixpk= 2180, nxpk= 10, iat= -1, 532, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1161,1170,
&end
#
# 106 HIS HD2 107 TRP HN 7.00 (# 2181:10 Preassigned 3.69, 4.87 A)
&rst
ixpk= 2181, nxpk= 10, iat=1673,1677, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 0 AMB 10-2:2182 107 TRP HN 7.00 (# 2182:10 Single Ambig )
&rst
ixpk= 2182, nxpk= 10, iat= -1,1677, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=2201,1727,
&end
#
# 107 TRP HA 109 ASN HN 5.50 (# 2183:10 Preassigned 3.29, 4.05 A)
&rst
ixpk= 2183, nxpk= 10, iat=1679,1713, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:2184 120 SER HN 2.80 (# 2184:10 Single Ambig )
&rst
ixpk= 2184, nxpk= 10, iat= -1,1894, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1898,1899,1896,
&end
#
# 67 GLN HE2+ 39 ALA HN 6.00 (# 2186:10 Preassigned 3.44, 4.56 A)
&rst
ixpk= 2186, nxpk= 10, iat= -1, 601, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1002,1003,
&end
#
# 133 ARG HH2+ 133 ARG HN 7.00 (# 2187:10 Unique 3.10, 5.94 A)
&rst
ixpk= 2187, nxpk= 10, iat= -1,2102, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=2121,2122,
&end
#
# 128 TYR HE 129 THR HN 6.00 (# 2188:10 Preassigned 5.19, 6.44 A)
&rst
ixpk= 2188, nxpk= 10, iat= -1,2035, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=2024,2029,
&end
#
# 131 LEU MDY 132 GLU HN 5.50 (# 2190:10 Preassigned 3.41, 5.22 A)
&rst
ixpk= 2190, nxpk= 10, iat= -1,2087, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2077,2078,2079,2081,2082,2083,
&end
#
# 88 GLU HN 90 LEU HN 5.50 (# 2192:10 Preassigned 4.34, 4.50 A)
&rst
ixpk= 2192, nxpk= 10, iat=1371,1410, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:2193 90 LEU HN 5.50 (# 2193:10 Single Ambig )
&rst
ixpk= 2193, nxpk= 10, iat= -1,1410, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1455,1352,
&end
#
# 7 VAL MGY 16 SER HN 6.00 (# 2195:10 Preassigned 4.01, 6.15 A)
&rst
ixpk= 2195, nxpk= 10, iat= -1, 241, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 113, 114, 115, 117, 118, 119,
&end
#
# 143 ASN HB+ 145 GLU HN 6.00 (# 2196:10 Preassigned 4.61, 5.60 A)
&rst
ixpk= 2196, nxpk= 10, iat= -1,2292, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=2272,2273,
&end
#
# 63 HIS HD2 46 ASP HN 7.00 (# 2197:10 Preassigned 4.44, 5.43 A)
&rst
ixpk= 2197, nxpk= 10, iat= 941, 692, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 6 LEU MDX 73 CYS HN 6.00 (# 2199:10 Preassigned 5.08, 6.95 A)
&rst
ixpk= 2199, nxpk= 10, iat= -1,1104, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 97, 98, 99, 101, 102, 103,
&end
#
# 36 GLY HN 37 LEU HN 5.50 (# 2202:10 Preassigned 4.42, 4.47 A)
&rst
ixpk= 2202, nxpk= 10, iat= 568, 575, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 3 ASN HD2- 3 ASN HN 6.00 (# 2204:10 Preassigned 4.35, 5.19 A)
&rst
ixpk= 2204, nxpk= 10, iat= -1, 41, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 50, 51,
&end
#
# 77 ASP HN 4 ASN HD2+ 5.50 (# 2205:10 Preassigned 3.97, 5.21 A)
&rst
ixpk= 2205, nxpk= 10, iat=1174, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 64, 65,
&end
#
# 4 ASN HA 4 ASN HD2+ 7.00 (# 2206:10 Preassigned 3.02, 4.56 A)
&rst
ixpk= 2206, nxpk= 10, iat= 57, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 64, 65,
&end
#
# 4 ASN HA 4 ASN HD2- 7.00 (# 2207:10 Preassigned 3.02, 4.56 A)
&rst
ixpk= 2207, nxpk= 10, iat= 57, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 64, 65,
&end
#
# 0 AMB 10-2:2208 71 ARG HN 4.00 (# 2208:10 Single Ambig )
&rst
ixpk= 2208, nxpk= 10, iat= -1,1061, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=1041,1042,1041,1042,
&end
#
# 137 GLN HE2- 137 GLN HN 7.00 (# 2209:10 Preassigned 5.20, 5.78 A)
&rst
ixpk= 2209, nxpk= 10, iat= -1,2171, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=2183,2184,
&end
#
# 138 TRP HN 138 TRP HE1 7.00 (# 2210:10 Preassigned 4.87, 5.35 A)
&rst
ixpk= 2210, nxpk= 10, iat=2188,2198, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 18 THR HN 16 SER HN 6.00 (# 2211:10 Preassigned 4.53, 4.81 A)
&rst
ixpk= 2211, nxpk= 10, iat= 266, 241, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:2212 16 SER HN 7.00 (# 2212:10 Single Ambig )
&rst
ixpk= 2212, nxpk= 10, iat= -1, 241, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1261,1262,1261,1262,
&end
#
# 0 AMB 10-2:2213 64 CYS HN 5.50 (# 2213:10 Single Ambig )
&rst
ixpk= 2213, nxpk= 10, iat= -1, 945, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 938, 928,
&end
#
# 109 ASN HN 107 TRP HN 5.50 (# 2214:10 Preassigned 4.33, 4.96 A)
&rst
ixpk= 2214, nxpk= 10, iat=1713,1677, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:2215 86 HIS HN 7.00 (# 2215:10 Single Ambig )
&rst
ixpk= 2215, nxpk= 10, iat= -1,1335, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1257,1429,
&end
#
# 104 PHE HZ 22 LEU HN 6.00 (# 2218:10 Preassigned 6.28, 6.92 A)
&rst
ixpk= 2218, nxpk= 10, iat=1645, 329, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 22 LEU HN 23 LEU HN 2.80 (# 2220:10 Preassigned 2.61, 2.69 A)
&rst
ixpk= 2220, nxpk= 10, iat= 329, 348, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:2221 24 GLN HN 5.50 (# 2221:10 Single Ambig )
&rst
ixpk= 2221, nxpk= 10, iat= -1, 367, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 379, 380, 379, 380,
&end
#
# 26 TYR HD 25 ARG HN 5.50 (# 2222:10 Preassigned 4.67, 5.90 A)
&rst
ixpk= 2222, nxpk= 10, iat= -1, 384, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 416, 425,
&end
#
# 85 ARG HN 88 GLU HN 6.00 (# 2223:10 Preassigned 4.71, 4.81 A)
&rst
ixpk= 2223, nxpk= 10, iat=1311,1371, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 5 ILE HN 32 VAL HN 6.00 (# 2224:10 Preassigned 4.50, 4.78 A)
&rst
ixpk= 2224, nxpk= 10, iat= 69, 516, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:2225 33 GLU HN 7.00 (# 2225:10 Single Ambig )
&rst
ixpk= 2225, nxpk= 10, iat= -1, 532, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 549, 57,
&end
#
# 66 ARG HE 34 SER HN 5.50 (# 2226:10 Preassigned 3.38, 4.44 A)
&rst
ixpk= 2226, nxpk= 10, iat= 979, 547, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 63 HIS HE1 34 SER HN 7.00 (# 2227:10 Preassigned 2.52, 4.89 A)
&rst
ixpk= 2227, nxpk= 10, iat= 938, 547, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 66 ARG HN 66 ARG HE 7.00 (# 2228:10 Preassigned 3.11, 4.75 A)
&rst
ixpk= 2228, nxpk= 10, iat= 966, 979, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 67 GLN HE2- 38 GLY HN 6.00 (# 2229:10 Preassigned 4.30, 5.62 A)
&rst
ixpk= 2229, nxpk= 10, iat= -1, 594, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1002,1003,
&end
#
# 41 VAL HN 43 LYS HN 6.00 (# 2230:10 Preassigned 4.69, 4.75 A)
&rst
ixpk= 2230, nxpk= 10, iat= 630, 653, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 51 SER HN 49 ALA HN 5.50 (# 2231:10 Preassigned 3.97, 4.11 A)
&rst
ixpk= 2231, nxpk= 10, iat= 761, 732, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 50 ILE HN 52 VAL HN 5.50 (# 2232:10 Preassigned 4.47, 4.58 A)
&rst
ixpk= 2232, nxpk= 10, iat= 742, 772, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:2233 52 VAL HN 5.50 (# 2233:10 Single Ambig )
&rst
ixpk= 2233, nxpk= 10, iat= -1, 772, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1966,1974,1968,1972,
&end
#
# 128 TYR HE 53 ALA HN 5.50 (# 2234:10 Preassigned 3.66, 6.21 A)
&rst
ixpk= 2234, nxpk= 10, iat= -1, 788, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2024,2029,
&end
#
# 128 TYR HD 53 ALA HN 6.00 (# 2235:10 Preassigned 4.08, 6.05 A)
&rst
ixpk= 2235, nxpk= 10, iat= -1, 788, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=2022,2031,
&end
#
# 128 TYR HE 56 HIS HN 6.00 (# 2236:10 Preassigned 4.76, 5.93 A)
&rst
ixpk= 2236, nxpk= 10, iat= -1, 823, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=2024,2029,
&end
#
# 57 GLN HN 57 GLN HE2- 5.50 (# 2237:10 Preassigned 2.33, 3.42 A)
&rst
ixpk= 2237, nxpk= 10, iat= 840, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 852, 853,
&end
#
# 58 LEU HN 59 SER HN 5.50 (# 2238:10 Unique 2.50, 3.54 A)
&rst
ixpk= 2238, nxpk= 10, iat= 857, 876, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 60 LEU HN 59 SER HN 5.50 (# 2239:10 Preassigned 2.92, 4.24 A)
&rst
ixpk= 2239, nxpk= 10, iat= 887, 876, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 76 TYR HE 72 LEU HN 7.00 (# 2240:10 Preassigned 5.31, 7.86 A)
&rst
ixpk= 2240, nxpk= 10, iat= -1,1085, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1163,1168,
&end
#
# 71 ARG HN 73 CYS HN 5.50 (# 2241:10 Preassigned 4.09, 4.18 A)
&rst
ixpk= 2241, nxpk= 10, iat=1061,1104, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:2242 76 TYR HN 7.00 (# 2242:10 Single Ambig )
&rst
ixpk= 2242, nxpk= 10, iat= -1,1153, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1= 64, 65,1104,
&end
#
# 4 ASN HD2+ 77 ASP HN 6.00 (# 2243:10 Preassigned 3.97, 5.21 A)
&rst
ixpk= 2243, nxpk= 10, iat= -1,1174, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 64, 65,
&end
#
# 80 LEU HA 79 ILE HN 6.00 (# 2244:10 Preassigned 4.19, 4.68 A)
&rst
ixpk= 2244, nxpk= 10, iat=1226,1205, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 6 LEU HN 79 ILE HN 6.00 (# 2245:10 Preassigned 4.72, 4.79 A)
&rst
ixpk= 2245, nxpk= 10, iat= 88,1205, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 86 HIS HD1 83 GLU HN 6.00 (# 2246:10 Preassigned 3.58, 5.18 A)
&rst
ixpk= 2246, nxpk= 10, iat=1343,1274, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 85 ARG HN 87 ILE HN 5.50 (# 2247:10 Preassigned 4.11, 4.23 A)
&rst
ixpk= 2247, nxpk= 10, iat=1311,1352, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 87 ILE HN 85 ARG HN 5.50 (# 2248:10 Preassigned 4.11, 4.23 A)
&rst
ixpk= 2248, nxpk= 10, iat=1352,1311, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 86 HIS HN 88 GLU HN 4.00 (# 2249:10 Preassigned 3.75, 4.00 A)
&rst
ixpk= 2249, nxpk= 10, iat=1335,1371, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 86 HIS HD1 89 ARG HN 5.50 (# 2251:10 Preassigned 4.87, 5.30 A)
&rst
ixpk= 2251, nxpk= 10, iat=1343,1386, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 107 TRP HD1 137 GLN HN 6.00 (# 2256:10 Preassigned 4.83, 5.37 A)
&rst
ixpk= 2256, nxpk= 10, iat=1685,2171, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 96 GLU HN 94 ALA HN 6.00 (# 2257:10 Preassigned 5.12, 5.31 A)
&rst
ixpk= 2257, nxpk= 10, iat=1496,1472, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 128 TYR HN 125 ALA HN 6.00 (# 2260:10 Preassigned 4.54, 4.61 A)
&rst
ixpk= 2260, nxpk= 10, iat=2014,1978, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:2261 80 LEU HN 7.00 (# 2261:10 Single Ambig )
&rst
ixpk= 2261, nxpk= 10, iat= -1,1224, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1=1641,1649,1645,
&end
#
# 0 AMB 10-2:2262 103 LEU HN 7.00 (# 2262:10 Single Ambig )
&rst
ixpk= 2262, nxpk= 10, iat= -1,1614, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1226,1685,
&end
#
# 138 TRP HE1 105 GLY HN 6.00 (# 2264:10 Preassigned 4.51, 4.91 A)
&rst
ixpk= 2264, nxpk= 10, iat=2198,1653, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 105 GLY HA+ 107 TRP HN 5.50 (# 2265:10 Preassigned 3.24, 4.14 A)
&rst
ixpk= 2265, nxpk= 10, iat= -1,1677, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1655,1656,
&end
#
# 109 ASN HN 108 ASP HN 5.50 (# 2266:10 Preassigned 2.41, 2.81 A)
&rst
ixpk= 2266, nxpk= 10, iat=1713,1701, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 107 TRP HN 110 GLU HN 6.00 (# 2267:10 Preassigned 4.38, 4.64 A)
&rst
ixpk= 2267, nxpk= 10, iat=1677,1727, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 76 TYR HE 75 ASN HD2+ 5.50 (# 2268:10 Preassigned 2.60, 4.57 A)
&rst
ixpk= 2268, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1163,1168,
igr2=1148,1149,
&end
#
# 107 TRP HN 109 ASN HN 6.00 (# 2269:10 Preassigned 4.33, 4.96 A)
&rst
ixpk= 2269, nxpk= 10, iat=1677,1713, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 110 GLU HN 111 CYS HN 4.00 (# 2270:10 Preassigned 2.65, 2.76 A)
&rst
ixpk= 2270, nxpk= 10, iat=1727,1742, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 83 GLU HN 113 ILE HN 6.00 (# 2271:10 Preassigned 5.01, 5.18 A)
&rst
ixpk= 2271, nxpk= 10, iat=1274,1768, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 118 ARG HN 119 LYS HN 2.80 (# 2272:10 Preassigned 2.24, 2.66 A)
&rst
ixpk= 2272, nxpk= 10, iat=1848,1872, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 122 GLU HN 120 SER HN 6.00 (# 2273:10 Preassigned 5.06, 5.32 A)
&rst
ixpk= 2273, nxpk= 10, iat=1929,1894, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 121 ARG HN 123 THR HN 5.50 (# 2274:10 Preassigned 4.22, 4.43 A)
&rst
ixpk= 2274, nxpk= 10, iat=1905,1944, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 124 PHE HD 123 THR HN 6.00 (# 2275:10 Preassigned 4.35, 6.36 A)
&rst
ixpk= 2275, nxpk= 10, iat= -1,1944, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1966,1974,
&end
#
# 124 PHE HD 127 VAL HN 6.00 (# 2276:10 Preassigned 5.25, 6.53 A)
&rst
ixpk= 2276, nxpk= 10, iat= -1,1998, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1966,1974,
&end
#
# 131 LEU HN 127 VAL HN 6.00 (# 2277:10 Preassigned 5.92, 6.08 A)
&rst
ixpk= 2277, nxpk= 10, iat=2068,1998, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:2279 0 AMB 10-1:2279 5.50 (# 2279:10 Double Ambig )
&rst
ixpk= 2279, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2068, 876,
igr2=2014, 798,
&end
#
# 129 THR HN 131 LEU HN 6.00 (# 2280:10 Preassigned 4.28, 4.52 A)
&rst
ixpk= 2280, nxpk= 10, iat=2035,2068, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 130 LEU HN 133 ARG HN 6.00 (# 2281:10 Preassigned 4.65, 4.77 A)
&rst
ixpk= 2281, nxpk= 10, iat=2049,2102, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 138 TRP HN 134 SER HN 6.00 (# 2284:10 Preassigned 5.89, 5.98 A)
&rst
ixpk= 2284, nxpk= 10, iat=2188,2126, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:2286 136 ARG HN 7.00 (# 2286:10 Single Ambig )
&rst
ixpk= 2286, nxpk= 10, iat= -1,2147, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1=1643,1647, 408,
&end
#
# 135 ALA HN 137 GLN HN 5.50 (# 2290:10 Preassigned 3.71, 3.83 A)
&rst
ixpk= 2290, nxpk= 10, iat=2137,2171, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 139 ALA HN 137 GLN HN 6.00 (# 2291:10 Preassigned 3.91, 4.07 A)
&rst
ixpk= 2291, nxpk= 10, iat=2212,2171, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 134 SER HN 137 GLN HN 5.50 (# 2292:10 Preassigned 4.54, 4.62 A)
&rst
ixpk= 2292, nxpk= 10, iat=2126,2171, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 108 ASP HN 137 GLN HE2+ 6.00 (# 2295:10 Preassigned 4.84, 6.11 A)
&rst
ixpk= 2295, nxpk= 10, iat=1701, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=2183,2184,
&end
#
# 133 ARG HE 137 GLN HE2+ 5.50 (# 2296:10 Preassigned 2.56, 4.66 A)
&rst
ixpk= 2296, nxpk= 10, iat=2115, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2183,2184,
&end
#
# 0 AMB 10-2:2297 138 TRP HN 7.00 (# 2297:10 Single Ambig )
&rst
ixpk= 2297, nxpk= 10, iat= -1,2188, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1645,2205,
&end
#
# 137 GLN HN 139 ALA HN 5.50 (# 2298:10 Preassigned 3.91, 4.07 A)
&rst
ixpk= 2298, nxpk= 10, iat=2171,2212, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 141 ALA HN 139 ALA HN 5.50 (# 2299:10 Preassigned 4.12, 4.23 A)
&rst
ixpk= 2299, nxpk= 10, iat=2239,2212, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 140 GLN HE2+ 141 ALA HN 7.00 (# 2302:10 Preassigned 4.51, 6.37 A)
&rst
ixpk= 2302, nxpk= 10, iat= -1,2239, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=2234,2235,
&end
#
# 27 HIS HE1 143 ASN HN 6.00 (# 2305:10 Unique 3.59, 4.48 A)
&rst
ixpk= 2305, nxpk= 10, iat= 439,2268, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 27 HIS HE1 143 ASN HD2+ 6.00 (# 2306:10 Unique 4.70, 6.62 A)
&rst
ixpk= 2306, nxpk= 10, iat= 439, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=2277,2278,
&end
#
# 140 GLN HE2- 144 ALA HN 6.00 (# 2308:10 Preassigned 3.13, 7.06 A)
&rst
ixpk= 2308, nxpk= 10, iat= -1,2282, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=2234,2235,
&end
#
# 48 THR MG2 121 ARG HE 6.00 (# 2309:10 Preassigned 3.00, 5.46 A)
&rst
ixpk= 2309, nxpk= 10, iat= -1,1918, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1= 724, 725, 726,
&end
#
# 52 VAL MGY 121 ARG HE 5.50 (# 2310:10 Preassigned 2.43, 6.10 A)
&rst
ixpk= 2310, nxpk= 10, iat= -1,1918, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 778, 779, 780, 782, 783, 784,
&end
#
# 121 ARG HB- 121 ARG HE 7.00 (# 2311:10 Preassigned 2.20, 4.00 A)
&rst
ixpk= 2311, nxpk= 10, iat= -1,1918, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1909,1910,
&end
#
# 109 ASN HA 109 ASN HD2- 5.50 (# 2315:10 Preassigned 2.26, 4.04 A)
&rst
ixpk= 2315, nxpk= 10, iat=1715, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1722,1723,
&end
#
# 137 GLN HE2+ 133 ARG HE 5.50 (# 2317:10 Preassigned 2.56, 4.66 A)
&rst
ixpk= 2317, nxpk= 10, iat= -1,2115, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2183,2184,
&end
#
# 137 GLN HE2- 133 ARG HE 7.00 (# 2318:10 Preassigned 2.56, 4.66 A)
&rst
ixpk= 2318, nxpk= 10, iat= -1,2115, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=2183,2184,
&end
#
# 60 LEU HA 21 ARG HN 6.00 (# 2319:10 Preassigned 5.09, 6.25 A)
&rst
ixpk= 2319, nxpk= 10, iat= 889, 305, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 107 TRP HE1 138 TRP HN 6.00 (# 2321:10 Preassigned 3.14, 4.18 A)
&rst
ixpk= 2321, nxpk= 10, iat=1687,2188, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 30 LEU MDY 3 ASN HD2- 6.00 (# 2322:10 Preassigned 2.63, 7.28 A)
&rst
ixpk= 2322, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 484, 485, 486, 488, 489, 490,
igr2= 50, 51,
&end
#
# 1 MET HB+ 3 ASN HD2- 6.00 (# 2323:10 Preassigned 4.60, 7.22 A)
&rst
ixpk= 2323, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 8, 9,
igr2= 50, 51,
&end
#
# 1 MET HB+ 3 ASN HD2+ 6.00 (# 2327:10 Preassigned 4.60, 7.22 A)
&rst
ixpk= 2327, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 8, 9,
igr2= 50, 51,
&end
#
# 3 ASN HA 3 ASN HD2- 5.50 (# 2329:10 Preassigned 2.39, 3.26 A)
&rst
ixpk= 2329, nxpk= 10, iat= 43, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 50, 51,
&end
#
# 5 ILE QD1 2 PHE HN 5.50 (# 2330:10 Preassigned 4.11, 5.97 A)
&rst
ixpk= 2330, nxpk= 10, iat= -1, 21, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 82, 83, 84,
&end
#
# 1 MET HG+ 2 PHE HN 6.00 (# 2331:10 Preassigned 2.29, 3.67 A)
&rst
ixpk= 2331, nxpk= 10, iat= -1, 21, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 11, 12,
&end
#
# 107 TRP HB- 138 TRP HN 5.50 (# 2333:10 Preassigned 4.04, 5.41 A)
&rst
ixpk= 2333, nxpk= 10, iat= -1,2188, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1681,1682,
&end
#
# 136 ARG HB+ 138 TRP HN 6.00 (# 2334:10 Preassigned 5.15, 5.73 A)
&rst
ixpk= 2334, nxpk= 10, iat= -1,2188, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=2151,2152,
&end
#
# 106 HIS HA 138 TRP HE1 6.00 (# 2335:10 Preassigned 5.16, 6.16 A)
&rst
ixpk= 2335, nxpk= 10, iat=1662,2198, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 107 TRP HZ2 138 TRP HE1 6.00 (# 2337:10 Preassigned 5.13, 6.19 A)
&rst
ixpk= 2337, nxpk= 10, iat=1690,2198, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 80 LEU HB+ 138 TRP HE1 6.00 (# 2338:10 Preassigned 3.52, 4.98 A)
&rst
ixpk= 2338, nxpk= 10, iat= -1,2198, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1228,1229,
&end
#
# 138 TRP HE1 138 TRP HN 7.00 (# 2339:10 Preassigned 4.87, 5.35 A)
&rst
ixpk= 2339, nxpk= 10, iat=2198,2188, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 135 ALA HN 138 TRP HN 6.00 (# 2340:10 Preassigned 4.47, 4.59 A)
&rst
ixpk= 2340, nxpk= 10, iat=2137,2188, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:2341 109 ASN HN 7.00 (# 2341:10 Single Ambig )
&rst
ixpk= 2341, nxpk= 10, iat= -1,1713, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1731,1732,1731,1732,
&end
#
# 110 GLU HG- 109 ASN HN 6.00 (# 2342:10 Preassigned 4.77, 6.46 A)
&rst
ixpk= 2342, nxpk= 10, iat= -1,1713, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1734,1735,
&end
#
# 90 LEU MDX 93 MET HN 6.00 (# 2343:10 Preassigned 4.64, 6.82 A)
&rst
ixpk= 2343, nxpk= 10, iat= -1,1455, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1419,1420,1421,1423,1424,1425,
&end
#
# 90 LEU MDY 93 MET HN 6.00 (# 2344:10 Preassigned 4.64, 6.82 A)
&rst
ixpk= 2344, nxpk= 10, iat= -1,1455, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1419,1420,1421,1423,1424,1425,
&end
#
# 0 AMB 10-2:2345 93 MET HN 2.80 (# 2345:10 Single Ambig )
&rst
ixpk= 2345, nxpk= 10, iat= -1,1455, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1459,1460,1444,1445,
&end
#
# 93 MET HB+ 93 MET HN 4.00 (# 2346:10 Preassigned 2.34, 3.02 A)
&rst
ixpk= 2346, nxpk= 10, iat= -1,1455, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1459,1460,
&end
#
# 108 ASP HB- 111 CYS HN 5.50 (# 2347:10 Preassigned 2.90, 4.31 A)
&rst
ixpk= 2347, nxpk= 10, iat= -1,1742, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1705,1706,
&end
#
# 0 AMB 10-2:2348 56 HIS HN 5.50 (# 2348:10 Single Ambig )
&rst
ixpk= 2348, nxpk= 10, iat= -1, 823, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 847, 848, 844, 845,
&end
#
# 0 AMB 10-2:2349 4 ASN HN 7.00 (# 2349:10 Single Ambig )
&rst
ixpk= 2349, nxpk= 10, iat= -1, 55, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 79, 80, 501, 502,
&end
#
# 5 ILE HB 4 ASN HN 6.00 (# 2350:10 Preassigned 4.53, 5.79 A)
&rst
ixpk= 2350, nxpk= 10, iat= 73, 55, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 53 ALA MB 56 HIS HN 5.50 (# 2351:10 Preassigned 4.86, 5.42 A)
&rst
ixpk= 2351, nxpk= 10, iat= -1, 823, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 792, 793, 794,
&end
#
# 0 AMB 10-2:2352 136 ARG HE 5.50 (# 2352:10 Single Ambig )
&rst
ixpk= 2352, nxpk= 10, iat= -1,2160, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2157,2158,2157,2158,
&end
#
# 24 GLN HN 27 HIS HN 5.50 (# 2353:10 Preassigned 4.62, 4.76 A)
&rst
ixpk= 2353, nxpk= 10, iat= 367, 429, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 8 VAL MGY 8 VAL HN 2.80 (# 2354:10 Preassigned 2.50, 4.16 A)
&rst
ixpk= 2354, nxpk= 10, iat= -1, 123, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 129, 130, 131, 133, 134, 135,
&end
#
# 0 AMB 10-2:2355 35 ALA HN 5.50 (# 2355:10 Single Ambig )
&rst
ixpk= 2355, nxpk= 10, iat= -1, 558, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
igr1= 129, 130, 131, 133, 134, 135, 95,
&end
#
# 17 PRO HD+ 19 ALA HN 5.50 (# 2357:10 Preassigned 4.40, 5.10 A)
&rst
ixpk= 2357, nxpk= 10, iat= -1, 280, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 253, 254,
&end
#
# 0 AMB 10-2:2358 20 GLU HN 7.00 (# 2358:10 Single Ambig )
&rst
ixpk= 2358, nxpk= 10, iat= -1, 290, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 315, 316, 253, 254,
&end
#
# 22 LEU MDY 21 ARG HN 6.00 (# 2359:10 Preassigned 4.84, 6.81 A)
&rst
ixpk= 2359, nxpk= 10, iat= -1, 305, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 338, 339, 340, 342, 343, 344,
&end
#
# 0 AMB 10-2:2360 21 ARG HN 7.00 (# 2360:10 Single Ambig )
&rst
ixpk= 2360, nxpk= 10, iat= -1, 305, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1= 243, 245, 246,
&end
#
# 21 ARG HD- 22 LEU HN 7.00 (# 2363:10 Preassigned 5.06, 5.71 A)
&rst
ixpk= 2363, nxpk= 10, iat= -1, 329, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 315, 316,
&end
#
# 20 GLU HA 24 GLN HN 5.50 (# 2364:10 Preassigned 3.83, 3.98 A)
&rst
ixpk= 2364, nxpk= 10, iat= 292, 367, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 22 LEU HA 24 GLN HN 5.50 (# 2365:10 Preassigned 4.36, 4.49 A)
&rst
ixpk= 2365, nxpk= 10, iat= 331, 367, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:2366 21 ARG HE 7.00 (# 2366:10 Single Ambig )
&rst
ixpk= 2366, nxpk= 10, iat= -1, 318, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 880, 881, 880, 881,
&end
#
# 0 AMB 10-2:2367 26 TYR HN 7.00 (# 2367:10 Single Ambig )
&rst
ixpk= 2367, nxpk= 10, iat= -1, 408, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1= 447, 448,2149,
&end
#
# 30 LEU HB+ 27 HIS HN 5.50 (# 2370:10 Preassigned 4.70, 5.89 A)
&rst
ixpk= 2370, nxpk= 10, iat= -1, 429, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 479, 480,
&end
#
# 28 PRO HD+ 29 GLU HN 5.50 (# 2371:10 Preassigned 2.81, 3.53 A)
&rst
ixpk= 2371, nxpk= 10, iat= -1, 460, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 447, 448,
&end
#
# 0 AMB 10-2:2372 33 GLU HN 5.50 (# 2372:10 Single Ambig )
&rst
ixpk= 2372, nxpk= 10, iat= -1, 532, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 113, 114, 115, 117, 118, 119, 75, 76, 77,
&end
#
# 5 ILE QG2 32 VAL HN 6.00 (# 2373:10 Preassigned 6.18, 6.96 A)
&rst
ixpk= 2373, nxpk= 10, iat= -1, 516, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1= 75, 76, 77,
&end
#
# 0 AMB 10-2:2374 35 ALA HN 5.50 (# 2374:10 Single Ambig )
&rst
ixpk= 2374, nxpk= 10, iat= -1, 558, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 111, 973, 974,
&end
#
# 68 ILE HB 36 GLY HN 5.50 (# 2375:10 Preassigned 3.62, 4.12 A)
&rst
ixpk= 2375, nxpk= 10, iat=1011, 568, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 67 GLN HA 38 GLY HN 6.00 (# 2378:10 Preassigned 4.90, 5.38 A)
&rst
ixpk= 2378, nxpk= 10, iat= 992, 594, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 64 CYS HA 44 GLY HN 5.50 (# 2380:10 Preassigned 3.55, 4.87 A)
&rst
ixpk= 2380, nxpk= 10, iat= 947, 675, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 60 LEU HB+ 50 ILE HN 6.00 (# 2381:10 Preassigned 4.71, 5.60 A)
&rst
ixpk= 2381, nxpk= 10, iat= -1, 742, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 891, 892,
&end
#
# 47 PRO HB+ 50 ILE HN 6.00 (# 2383:10 Preassigned 5.25, 5.46 A)
&rst
ixpk= 2383, nxpk= 10, iat= -1, 742, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 711, 712,
&end
#
# 51 SER HA 53 ALA HN 5.50 (# 2384:10 Preassigned 4.58, 4.87 A)
&rst
ixpk= 2384, nxpk= 10, iat= 763, 788, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 49 ALA MB 53 ALA HN 5.50 (# 2385:10 Preassigned 4.38, 5.25 A)
&rst
ixpk= 2385, nxpk= 10, iat= -1, 788, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 736, 737, 738,
&end
#
# 50 ILE HB 53 ALA HN 5.50 (# 2386:10 Preassigned 5.85, 5.97 A)
&rst
ixpk= 2386, nxpk= 10, iat= 746, 788, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 60 LEU MDY 53 ALA HN 5.50 (# 2387:10 Preassigned 3.62, 5.69 A)
&rst
ixpk= 2387, nxpk= 10, iat= -1, 788, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 896, 897, 898, 900, 901, 902,
&end
#
# 56 HIS HB+ 55 GLU HN 5.50 (# 2388:10 Preassigned 4.73, 5.57 A)
&rst
ixpk= 2388, nxpk= 10, iat= -1, 808, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 827, 828,
&end
#
# 51 SER HA 55 GLU HN 5.50 (# 2389:10 Preassigned 4.03, 4.25 A)
&rst
ixpk= 2389, nxpk= 10, iat= 763, 808, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 58 LEU MDX 56 HIS HN 6.00 (# 2390:10 Preassigned 4.40, 7.81 A)
&rst
ixpk= 2390, nxpk= 10, iat= -1, 823, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 866, 867, 868, 870, 871, 872,
&end
#
# 51 SER HA 56 HIS HN 7.00 (# 2391:10 Preassigned 6.63, 6.82 A)
&rst
ixpk= 2391, nxpk= 10, iat= 763, 823, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 58 LEU HB- 57 GLN HN 6.00 (# 2392:10 Preassigned 4.66, 5.14 A)
&rst
ixpk= 2392, nxpk= 10, iat= -1, 840, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 861, 862,
&end
#
# 63 HIS HA 62 GLY HN 5.50 (# 2393:10 Preassigned 4.29, 5.10 A)
&rst
ixpk= 2393, nxpk= 10, iat= 930, 921, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 44 GLY HA+ 65 ALA HN 5.50 (# 2394:10 Preassigned 3.01, 4.30 A)
&rst
ixpk= 2394, nxpk= 10, iat= -1, 956, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 677, 678,
&end
#
# 0 AMB 10-2:2395 68 ILE HN 7.00 (# 2395:10 Single Ambig )
&rst
ixpk= 2395, nxpk= 10, iat= -1,1007, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 973, 974, 970, 971,
&end
#
# 67 GLN HB- 68 ILE HN 7.00 (# 2396:10 Preassigned 3.03, 4.17 A)
&rst
ixpk= 2396, nxpk= 10, iat= -1,1007, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 994, 995,
&end
#
# 67 GLN HA 69 SER HN 6.00 (# 2397:10 Preassigned 6.08, 6.31 A)
&rst
ixpk= 2397, nxpk= 10, iat= 992,1026, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 64 CYS HB- 63 HIS HN 6.00 (# 2399:10 Preassigned 4.57, 6.06 A)
&rst
ixpk= 2399, nxpk= 10, iat= -1, 928, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 949, 950,
&end
#
# 0 AMB 10-2:2400 73 CYS HN 5.50 (# 2400:10 Single Ambig )
&rst
ixpk= 2400, nxpk= 10, iat= -1,1104, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1044,1045,1068,1069,
&end
#
# 94 ALA MB 74 ARG HN 6.00 (# 2401:10 Preassigned 4.39, 5.96 A)
&rst
ixpk= 2401, nxpk= 10, iat= -1,1115, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1=1476,1477,1478,
&end
#
# 70 ARG HA 74 ARG HN 6.00 (# 2402:10 Preassigned 3.74, 4.04 A)
&rst
ixpk= 2402, nxpk= 10, iat=1039,1115, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 72 LEU HA 74 ARG HN 5.50 (# 2403:10 Preassigned 4.10, 4.32 A)
&rst
ixpk= 2403, nxpk= 10, iat=1087,1115, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 72 LEU MDX 75 ASN HD2+ 7.00 (# 2404:10 Preassigned 3.85, 7.31 A)
&rst
ixpk= 2404, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1=1094,1095,1096,1098,1099,1100,
igr2=1148,1149,
&end
#
# 72 LEU HB+ 76 TYR HN 5.50 (# 2405:10 Preassigned 4.64, 5.55 A)
&rst
ixpk= 2405, nxpk= 10, iat= -1,1153, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1089,1090,
&end
#
# 86 HIS HA 83 GLU HN 6.00 (# 2409:10 Preassigned 5.35, 5.71 A)
&rst
ixpk= 2409, nxpk= 10, iat=1337,1274, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:2410 84 LYS HN 7.00 (# 2410:10 Single Ambig )
&rst
ixpk= 2410, nxpk= 10, iat= -1,1289, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1302,1303,1302,1303,
&end
#
# 85 ARG HD- 85 ARG HN 5.50 (# 2411:10 Preassigned 3.21, 4.41 A)
&rst
ixpk= 2411, nxpk= 10, iat= -1,1311, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1321,1322,
&end
#
# 84 LYS HD- 85 ARG HN 5.50 (# 2412:10 Preassigned 4.25, 5.55 A)
&rst
ixpk= 2412, nxpk= 10, iat= -1,1311, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1299,1300,
&end
#
# 103 LEU MDY 85 ARG HN 6.00 (# 2413:10 Preassigned 5.20, 6.87 A)
&rst
ixpk= 2413, nxpk= 10, iat= -1,1311, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1623,1624,1625,1627,1628,1629,
&end
#
# 83 GLU HA 86 HIS HN 5.50 (# 2414:10 Preassigned 4.35, 4.65 A)
&rst
ixpk= 2414, nxpk= 10, iat=1276,1335, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 83 GLU HB- 87 ILE HN 6.00 (# 2416:10 Preassigned 4.56, 5.50 A)
&rst
ixpk= 2416, nxpk= 10, iat= -1,1352, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1278,1279,
&end
#
# 89 ARG HA 91 CYS HN 5.50 (# 2418:10 Preassigned 4.18, 4.45 A)
&rst
ixpk= 2418, nxpk= 10, iat=1388,1429, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 92 GLU HA 91 CYS HN 5.50 (# 2419:10 Preassigned 5.28, 5.33 A)
&rst
ixpk= 2419, nxpk= 10, iat=1442,1429, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 92 GLU HB- 91 CYS HN 5.50 (# 2420:10 Preassigned 4.71, 5.12 A)
&rst
ixpk= 2420, nxpk= 10, iat= -1,1429, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1444,1445,
&end
#
# 91 CYS HB+ 93 MET HN 5.50 (# 2424:10 Preassigned 5.01, 5.52 A)
&rst
ixpk= 2424, nxpk= 10, iat= -1,1455, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1433,1434,
&end
#
# 0 AMB 10-2:2425 93 MET HN 4.00 (# 2425:10 Single Ambig )
&rst
ixpk= 2425, nxpk= 10, iat= -1,1455, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1457,1388,
&end
#
# 91 CYS HB+ 94 ALA HN 6.00 (# 2426:10 Preassigned 4.91, 5.39 A)
&rst
ixpk= 2426, nxpk= 10, iat= -1,1472, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1433,1434,
&end
#
# 0 AMB 10-2:2427 94 ALA HN 7.00 (# 2427:10 Single Ambig )
&rst
ixpk= 2427, nxpk= 10, iat= -1,1472, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1=1417,1044,1045,
&end
#
# 0 AMB 10-2:2428 96 GLU HN 7.00 (# 2428:10 Single Ambig )
&rst
ixpk= 2428, nxpk= 10, iat= -1,1496, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1535,1536,1044,1045,
&end
#
# 91 CYS HA 97 MET HN 6.00 (# 2429:10 Unique 4.28, 4.91 A)
&rst
ixpk= 2429, nxpk= 10, iat=1431,1511, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 97 MET HG- 98 ARG HN 6.00 (# 2430:10 Preassigned 3.96, 5.17 A)
&rst
ixpk= 2430, nxpk= 10, iat= -1,1528, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1518,1519,
&end
#
# 131 LEU MDX 130 LEU HN 6.00 (# 2431:10 Preassigned 4.18, 6.41 A)
&rst
ixpk= 2431, nxpk= 10, iat= -1,2049, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=2077,2078,2079,2081,2082,2083,
&end
#
# 102 MET HA 101 VAL HN 6.00 (# 2432:10 Preassigned 4.61, 5.21 A)
&rst
ixpk= 2432, nxpk= 10, iat=1599,1581, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 91 CYS HA 101 VAL HN 6.00 (# 2433:10 Preassigned 5.98, 6.49 A)
&rst
ixpk= 2433, nxpk= 10, iat=1431,1581, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:2434 101 VAL HN 4.00 (# 2434:10 Single Ambig )
&rst
ixpk= 2434, nxpk= 10, iat= -1,1581, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1=1587,1588,1589,1591,1592,1593,1587,1588,1589,1591,
1592,1593,
&end
#
# 104 PHE HA 103 LEU HN 6.00 (# 2435:10 Preassigned 4.98, 5.30 A)
&rst
ixpk= 2435, nxpk= 10, iat=1635,1614, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:2437 104 PHE HN 7.00 (# 2437:10 Single Ambig )
&rst
ixpk= 2437, nxpk= 10, iat= -1,1633, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1276,1599,
&end
#
# 87 ILE QD1 104 PHE HN 6.00 (# 2438:10 Preassigned 4.36, 5.91 A)
&rst
ixpk= 2438, nxpk= 10, iat= -1,1633, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1=1365,1366,1367,
&end
#
# 82 MET ME 105 GLY HN 6.00 (# 2439:10 Preassigned 5.95, 7.38 A)
&rst
ixpk= 2439, nxpk= 10, iat= -1,1653, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1=1268,1269,1270,
&end
#
# 106 HIS HB- 105 GLY HN 6.00 (# 2441:10 Preassigned 4.77, 5.29 A)
&rst
ixpk= 2441, nxpk= 10, iat= -1,1653, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1664,1665,
&end
#
# 134 SER HB- 105 GLY HN 6.00 (# 2442:10 Preassigned 4.44, 5.52 A)
&rst
ixpk= 2442, nxpk= 10, iat= -1,1653, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=2130,2131,
&end
#
# 108 ASP HA 109 ASN HD2- 6.00 (# 2443:10 Preassigned 6.19, 7.34 A)
&rst
ixpk= 2443, nxpk= 10, iat=1703, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1722,1723,
&end
#
# 108 ASP HA 109 ASN HD2+ 6.00 (# 2444:10 Preassigned 6.19, 7.34 A)
&rst
ixpk= 2444, nxpk= 10, iat=1703, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1722,1723,
&end
#
# 55 GLU HG- 57 GLN HE2+ 5.50 (# 2445:10 Preassigned 4.19, 6.18 A)
&rst
ixpk= 2445, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 815, 816,
igr2= 852, 853,
&end
#
# 55 GLU HB- 57 GLN HE2+ 7.00 (# 2446:10 Preassigned 4.29, 6.14 A)
&rst
ixpk= 2446, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 812, 813,
igr2= 852, 853,
&end
#
# 144 ALA MB 146 GLN HE2+ 7.00 (# 2447:10 Unique 2.52, 6.18 A)
&rst
ixpk= 2447, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1=2286,2287,2288,
igr2=2319,2320,
&end
#
# 111 CYS HB- 110 GLU HN 6.00 (# 2448:10 Preassigned 4.74, 5.52 A)
&rst
ixpk= 2448, nxpk= 10, iat= -1,1727, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1746,1747,
&end
#
# 110 GLU HA 112 GLU HN 6.00 (# 2449:10 Preassigned 4.77, 5.83 A)
&rst
ixpk= 2449, nxpk= 10, iat=1729,1753, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 117 TYR HB+ 119 LYS HN 6.00 (# 2450:10 Preassigned 3.58, 5.22 A)
&rst
ixpk= 2450, nxpk= 10, iat= -1,1872, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1831,1832,
&end
#
# 116 PRO HB- 119 LYS HN 6.00 (# 2451:10 Preassigned 3.73, 4.97 A)
&rst
ixpk= 2451, nxpk= 10, iat= -1,1872, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1820,1821,
&end
#
# 118 ARG HG+ 119 LYS HN 6.00 (# 2452:10 Preassigned 4.49, 5.28 A)
&rst
ixpk= 2452, nxpk= 10, iat= -1,1872, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1855,1856,
&end
#
# 116 PRO HB+ 119 LYS HN 5.50 (# 2453:10 Preassigned 3.73, 4.97 A)
&rst
ixpk= 2453, nxpk= 10, iat= -1,1872, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1820,1821,
&end
#
# 119 LYS HE+ 120 SER HN 7.00 (# 2454:10 Preassigned 3.86, 5.74 A)
&rst
ixpk= 2454, nxpk= 10, iat= -1,1894, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1885,1886,
&end
#
# 48 THR MG2 122 GLU HN 6.00 (# 2456:10 Preassigned 5.67, 6.36 A)
&rst
ixpk= 2456, nxpk= 10, iat= -1,1929, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1= 724, 725, 726,
&end
#
# 123 THR MG2 122 GLU HN 6.00 (# 2457:10 Preassigned 6.67, 7.15 A)
&rst
ixpk= 2457, nxpk= 10, iat= -1,1929, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1=1950,1951,1952,
&end
#
# 124 PHE HB+ 123 THR HN 5.50 (# 2458:10 Preassigned 4.48, 5.27 A)
&rst
ixpk= 2458, nxpk= 10, iat= -1,1944, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1962,1963,
&end
#
# 121 ARG HB+ 123 THR HN 6.00 (# 2459:10 Preassigned 5.24, 5.58 A)
&rst
ixpk= 2459, nxpk= 10, iat= -1,1944, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1909,1910,
&end
#
# 116 PRO HB- 124 PHE HN 5.50 (# 2460:10 Preassigned 3.33, 4.23 A)
&rst
ixpk= 2460, nxpk= 10, iat= -1,1958, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1820,1821,
&end
#
# 128 TYR HB+ 126 ALA HN 6.00 (# 2461:10 Preassigned 4.92, 5.40 A)
&rst
ixpk= 2461, nxpk= 10, iat= -1,1988, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=2018,2019,
&end
#
# 124 PHE HB+ 126 ALA HN 6.00 (# 2462:10 Preassigned 5.20, 5.48 A)
&rst
ixpk= 2462, nxpk= 10, iat= -1,1988, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1962,1963,
&end
#
# 129 THR HB 126 ALA HN 5.50 (# 2463:10 Preassigned 5.42, 5.57 A)
&rst
ixpk= 2463, nxpk= 10, iat=2039,1988, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 124 PHE HA 127 VAL HN 4.00 (# 2464:10 Unique 3.26, 3.57 A)
&rst
ixpk= 2464, nxpk= 10, iat=1960,1998, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 129 THR HB 128 TYR HN 5.50 (# 2465:10 Preassigned 5.10, 5.15 A)
&rst
ixpk= 2465, nxpk= 10, iat=2039,2014, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 59 SER HA 54 ALA HN 6.00 (# 2466:10 Preassigned 3.37, 4.88 A)
&rst
ixpk= 2466, nxpk= 10, iat= 878, 798, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 22 LEU MDY 133 ARG HN 5.50 (# 2467:10 Preassigned 5.08, 6.90 A)
&rst
ixpk= 2467, nxpk= 10, iat= -1,2102, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 338, 339, 340, 342, 343, 344,
&end
#
# 131 LEU HB+ 133 ARG HN 6.00 (# 2468:10 Preassigned 5.37, 5.97 A)
&rst
ixpk= 2468, nxpk= 10, iat= -1,2102, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=2072,2073,
&end
#
# 0 AMB 10-2:2469 133 ARG HN 5.50 (# 2469:10 Single Ambig )
&rst
ixpk= 2469, nxpk= 10, iat= -1,2102, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2151,2152,2072,2073,
&end
#
# 0 AMB 10-2:2470 134 SER HN 7.00 (# 2470:10 Single Ambig )
&rst
ixpk= 2470, nxpk= 10, iat= -1,2126, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=2112,2113,1681,1682,
&end
#
# 133 ARG HD- 134 SER HN 7.00 (# 2471:10 Preassigned 4.38, 5.37 A)
&rst
ixpk= 2471, nxpk= 10, iat= -1,2126, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=2112,2113,
&end
#
# 0 AMB 10-2:2472 135 ALA HN 7.00 (# 2472:10 Single Ambig )
&rst
ixpk= 2472, nxpk= 10, iat= -1,2137, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=2175,2176,2094,2095,
&end
#
# 138 TRP HB+ 136 ARG HN 7.00 (# 2475:10 Preassigned 5.25, 6.18 A)
&rst
ixpk= 2475, nxpk= 10, iat= -1,2147, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=2192,2193,
&end
#
# 0 AMB 10-2:2476 136 ARG HN 5.50 (# 2476:10 Single Ambig )
&rst
ixpk= 2476, nxpk= 10, iat= -1,2147, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=2216,2217,2218,2109,2110,
&end
#
# 95 PRO HD+ 92 GLU HN 7.00 (# 2477:10 Preassigned 5.10, 6.33 A)
&rst
ixpk= 2477, nxpk= 10, iat= -1,1440, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1483,1484,
&end
#
# 0 AMB 10-2:2478 137 GLN HE2- 7.00 (# 2478:10 Single Ambig )
&rst
ixpk= 2478, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
igr1=2106,2107,2106,2107,
igr2=2183,2184,
&end
#
# 134 SER HA 137 GLN HE2+ 7.00 (# 2479:10 Preassigned 4.07, 5.13 A)
&rst
ixpk= 2479, nxpk= 10, iat=2128, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=2183,2184,
&end
#
# 0 AMB 10-2:2480 0 AMB 10-1:2480 7.00 (# 2480:10 Double Ambig )
&rst
ixpk= 2480, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.11, r4=11.86,
igr1=2106,2107,2106,2107,
igr2=2183,2184,2183,2184,
&end
#
# 26 TYR HB+ 140 GLN HN 6.00 (# 2481:10 Preassigned 5.20, 6.02 A)
&rst
ixpk= 2481, nxpk= 10, iat= -1,2222, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 412, 413,
&end
#
# 143 ASN HB+ 140 GLN HE2- 7.00 (# 2482:10 Preassigned 3.42, 6.53 A)
&rst
ixpk= 2482, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=2272,2273,
igr2=2234,2235,
&end
#
# 0 AMB 10-2:2484 0 AMB 10-1:2484 7.00 (# 2484:10 Double Ambig )
&rst
ixpk= 2484, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
igr1=2173,2241,
igr2=2234,2235,2234,2235,
&end
#
# 140 GLN HA 140 GLN HE2+ 7.00 (# 2485:10 Preassigned 2.64, 5.03 A)
&rst
ixpk= 2485, nxpk= 10, iat=2224, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=2234,2235,
&end
#
# 144 ALA MB 140 GLN HE2+ 7.00 (# 2486:10 Preassigned 2.52, 7.23 A)
&rst
ixpk= 2486, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1=2286,2287,2288,
igr2=2234,2235,
&end
#
# 142 LEU HA 141 ALA HN 5.50 (# 2488:10 Preassigned 5.28, 5.36 A)
&rst
ixpk= 2488, nxpk= 10, iat=2251,2239, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 141 ALA MB 141 ALA HN 4.00 (# 2490:10 Preassigned 2.41, 2.90 A)
&rst
ixpk= 2490, nxpk= 10, iat= -1,2239, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1=2243,2244,2245,
&end
#
# 141 ALA HA 145 GLU HN 5.50 (# 2494:10 Preassigned 3.17, 4.89 A)
&rst
ixpk= 2494, nxpk= 10, iat=2241,2292, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 52 VAL MGY 121 ARG HE 5.50 (# 2496:10 Preassigned 2.43, 6.10 A)
&rst
ixpk= 2496, nxpk= 10, iat= -1,1918, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 778, 779, 780, 782, 783, 784,
&end
#
# 52 VAL MGX 121 ARG HE 5.50 (# 2497:10 Preassigned 2.43, 6.10 A)
&rst
ixpk= 2497, nxpk= 10, iat= -1,1918, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 778, 779, 780, 782, 783, 784,
&end
#
# 125 ALA MB 121 ARG HE 7.00 (# 2498:10 Unique 4.05, 7.51 A)
&rst
ixpk= 2498, nxpk= 10, iat= -1,1918, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1=1982,1983,1984,
&end
#
# 51 SER HB- 121 ARG HE 5.50 (# 2499:10 Unique 2.11, 4.08 A)
&rst
ixpk= 2499, nxpk= 10, iat= -1,1918, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 765, 766,
&end
#
# 51 SER HB+ 121 ARG HE 7.00 (# 2500:10 Unique 2.11, 4.08 A)
&rst
ixpk= 2500, nxpk= 10, iat= -1,1918, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 765, 766,
&end
#
# 32 VAL HA 0 AMB 10-1:2504 7.00 (# 2504:10 Single Ambig )
&rst
ixpk= 2504, nxpk= 10, iat= 518, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr2= 379, 380, 379, 380,
&end
#
# 63 HIS HB- 62 GLY HN 6.00 (# 2506:10 Preassigned 3.34, 4.47 A)
&rst
ixpk= 2506, nxpk= 10, iat= -1, 921, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 932, 933,
&end
#
# 63 HIS HB+ 62 GLY HN 6.00 (# 2507:10 Preassigned 3.34, 4.47 A)
&rst
ixpk= 2507, nxpk= 10, iat= -1, 921, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 932, 933,
&end
#
# 78 LEU HG 2 PHE HN 6.00 (# 2508:10 Preassigned 5.65, 7.47 A)
&rst
ixpk= 2508, nxpk= 10, iat=1193, 21, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 70 ARG HE 96 GLU HN 5.50 (# 2509:10 Preassigned 3.93, 6.10 A)
&rst
ixpk= 2509, nxpk= 10, iat=1050,1496, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 30 LEU HB+ 29 GLU HN 6.00 (# 2511:10 Preassigned 3.57, 4.77 A)
&rst
ixpk= 2511, nxpk= 10, iat= -1, 460, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 479, 480,
&end
#
# 26 TYR HD 24 GLN HN 7.00 (# 2512:10 Preassigned 5.55, 7.02 A)
&rst
ixpk= 2512, nxpk= 10, iat= -1, 367, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 416, 425,
&end
#
# 0 AMB 10-2:2513 30 LEU HN 5.50 (# 2513:10 Single Ambig )
&rst
ixpk= 2513, nxpk= 10, iat= -1, 475, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 379, 380, 379, 380,
&end
#
# 140 GLN HG- 137 GLN HE2+ 5.50 (# 2521:10 Preassigned 5.86, 7.28 A)
&rst
ixpk= 2521, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2229,2230,
igr2=2183,2184,
&end
#
# 43 LYS HN 41 VAL HN 6.00 (# 2523:10 Preassigned 4.69, 4.75 A)
&rst
ixpk= 2523, nxpk= 10, iat= 653, 630, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 6 LEU HN 80 LEU HN 4.00 (# 2525:10 Preassigned 3.55, 3.88 A)
&rst
ixpk= 2525, nxpk= 10, iat= 88,1224, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 80 LEU MDY 102 MET HN 4.00 (# 2526:10 Preassigned 2.83, 5.37 A)
&rst
ixpk= 2526, nxpk= 10, iat= -1,1597, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1=1233,1234,1235,1237,1238,1239,
&end
#
# 77 ASP HN 6 LEU HN 6.00 (# 2533:10 Unique 4.12, 4.78 A)
&rst
ixpk= 2533, nxpk= 10, iat=1174, 88, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 140 GLN HG+ 143 ASN HD2- 5.50 (# 2537:10 Unique 4.34, 6.27 A)
&rst
ixpk= 2537, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2229,2230,
igr2=2277,2278,
&end
#
# 140 GLN HG+ 143 ASN HD2+ 7.00 (# 2538:10 Unique 4.34, 6.27 A)
&rst
ixpk= 2538, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=2229,2230,
igr2=2277,2278,
&end
#
# 107 TRP HH2 141 ALA HN 5.50 (# 2539:10 Unique 4.48, 5.70 A)
&rst
ixpk= 2539, nxpk= 10, iat=1692,2239, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 27 HIS HD2 141 ALA HN 7.00 (# 2540:10 Unique 6.09, 7.11 A)
&rst
ixpk= 2540, nxpk= 10, iat= 442,2239, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 0 AMB 10-2:2541 106 HIS HN 7.00 (# 2541:10 Single Ambig )
&rst
ixpk= 2541, nxpk= 10, iat= -1,1660, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1687,1703,
&end
#
# 0 AMB 10-2:2542 105 GLY HN 7.00 (# 2542:10 Single Ambig )
&rst
ixpk= 2542, nxpk= 10, iat= -1,1653, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1687,1703,
&end
#
# 110 GLU HA 106 HIS HN 5.50 (# 2543:10 Unique 3.91, 4.21 A)
&rst
ixpk= 2543, nxpk= 10, iat=1729,1660, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:2546 111 CYS HN 7.00 (# 2546:10 Single Ambig )
&rst
ixpk= 2546, nxpk= 10, iat= -1,1742, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1755,1770,
&end
#
# 106 HIS HB- 111 CYS HN 6.00 (# 2549:10 Unique 5.83, 7.17 A)
&rst
ixpk= 2549, nxpk= 10, iat= -1,1742, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1664,1665,
&end
#
# 129 THR HB 132 GLU HN 6.00 (# 2552:10 Unique 5.38, 5.48 A)
&rst
ixpk= 2552, nxpk= 10, iat=2039,2087, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 129 THR HB 131 LEU HN 6.00 (# 2553:10 Unique 5.28, 5.39 A)
&rst
ixpk= 2553, nxpk= 10, iat=2039,2068, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 129 THR HA 133 ARG HN 5.50 (# 2554:10 Unique 3.84, 4.04 A)
&rst
ixpk= 2554, nxpk= 10, iat=2037,2102, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:2556 49 ALA HN 7.00 (# 2556:10 Single Ambig )
&rst
ixpk= 2556, nxpk= 10, iat= -1, 732, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
igr1= 778, 779, 780, 782, 783, 784,1820,1821,
&end
#
# 45 ALA MB 49 ALA HN 6.00 (# 2557:10 Unique 4.80, 6.52 A)
&rst
ixpk= 2557, nxpk= 10, iat= -1, 732, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1= 686, 687, 688,
&end
#
# 145 GLU HA 147 VAL HN 6.00 (# 2560:10 Unique 3.99, 6.25 A)
&rst
ixpk= 2560, nxpk= 10, iat=2294,2324, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 20 GLU HA 33 GLU HN 6.00 (# 2561:10 Unique 4.51, 4.84 A)
&rst
ixpk= 2561, nxpk= 10, iat= 292, 532, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
********************************************************************
Cnoesy retrtains
********************************************************************
#
# 81 THR MG2 81 THR HB 4.00 (# 1:20 Preassigned 2.40, 2.65 A)
&rst
ixpk= 1, nxpk= 20, iat= -1,1247, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
igr1=1249,1250,1251,
&end
#
# 8 VAL HB 81 THR HB 5.50 (# 3:20 Preassigned 2.72, 3.64 A)
&rst
ixpk= 3, nxpk= 20, iat= 127,1247, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 8 VAL MGX 81 THR HB 5.50 (# 4:20 Preassigned 2.49, 5.65 A)
&rst
ixpk= 4, nxpk= 20, iat= -1,1247, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 129, 130, 131, 133, 134, 135,
&end
#
# 90 LEU MDX 81 THR HB 5.50 (# 5:20 Preassigned 2.95, 5.42 A)
&rst
ixpk= 5, nxpk= 20, iat= -1,1247, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1419,1420,1421,1423,1424,1425,
&end
#
# 129 THR HN 129 THR HB 4.00 (# 6:20 Preassigned 2.55, 2.58 A)
&rst
ixpk= 6, nxpk= 20, iat=2035,2039, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 130 LEU HN 129 THR HB 4.00 (# 7:20 Preassigned 2.52, 2.69 A)
&rst
ixpk= 7, nxpk= 20, iat=2049,2039, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 129 THR MG2 129 THR HB 2.80 (# 8:20 Preassigned 2.46, 2.67 A)
&rst
ixpk= 8, nxpk= 20, iat= -1,2039, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=2041,2042,2043,
&end
#
# 129 THR HA 129 THR HB 4.00 (# 9:20 Preassigned 3.05, 3.05 A)
&rst
ixpk= 9, nxpk= 20, iat=2037,2039, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 18 THR HN 18 THR HA 5.50 (# 11:20 Preassigned 2.77, 2.81 A)
&rst
ixpk= 11, nxpk= 20, iat= 266, 268, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 60 LEU MDY 18 THR HA 4.00 (# 12:20 Preassigned 2.34, 4.49 A)
&rst
ixpk= 12, nxpk= 20, iat= -1, 268, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1= 896, 897, 898, 900, 901, 902,
&end
#
# 18 THR HB 18 THR HA 5.50 (# 13:20 Preassigned 3.03, 3.04 A)
&rst
ixpk= 13, nxpk= 20, iat= 270, 268, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 123 THR MG2 123 THR HA 4.00 (# 14:20 Preassigned 2.39, 2.98 A)
&rst
ixpk= 14, nxpk= 20, iat= -1,1946, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1=1950,1951,1952,
&end
#
# 0 AMB 20-2:15 123 THR HA 4.00 (# 15:20 Single Ambig )
&rst
ixpk= 15, nxpk= 20, iat= -1,1946, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1944,1988,
&end
#
# 126 ALA MB 123 THR HA 4.00 (# 16:20 Preassigned 2.50, 3.56 A)
&rst
ixpk= 16, nxpk= 20, iat= -1,1946, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1=1992,1993,1994,
&end
#
# 129 THR HB 129 THR HA 5.50 (# 17:20 Preassigned 3.05, 3.05 A)
&rst
ixpk= 17, nxpk= 20, iat=2039,2037, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 129 THR HN 129 THR HA 4.00 (# 18:20 Preassigned 2.81, 2.83 A)
&rst
ixpk= 18, nxpk= 20, iat=2035,2037, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 132 GLU HB+ 129 THR HA 5.50 (# 19:20 Preassigned 2.30, 3.11 A)
&rst
ixpk= 19, nxpk= 20, iat= -1,2037, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2091,2092,
&end
#
# 132 GLU HB- 129 THR HA 5.50 (# 20:20 Preassigned 2.30, 3.11 A)
&rst
ixpk= 20, nxpk= 20, iat= -1,2037, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2091,2092,
&end
#
# 129 THR MG2 129 THR HA 2.80 (# 21:20 Preassigned 2.49, 3.11 A)
&rst
ixpk= 21, nxpk= 20, iat= -1,2037, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=2041,2042,2043,
&end
#
# 130 LEU HN 129 THR HA 5.50 (# 22:20 Preassigned 3.56, 3.58 A)
&rst
ixpk= 22, nxpk= 20, iat=2049,2037, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 128 TYR HD 129 THR HA 5.50 (# 23:20 Preassigned 2.66, 4.72 A)
&rst
ixpk= 23, nxpk= 20, iat= -1,2037, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2022,2031,
&end
#
# 18 THR MG2 18 THR HA 5.50 (# 24:20 Preassigned 2.39, 3.04 A)
&rst
ixpk= 24, nxpk= 20, iat= -1, 268, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 272, 273, 274,
&end
#
# 130 LEU HN 127 VAL HA 5.50 (# 25:20 Preassigned 3.01, 3.27 A)
&rst
ixpk= 25, nxpk= 20, iat=2049,2000, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 127 VAL HB 127 VAL HA 5.50 (# 26:20 Preassigned 2.38, 2.84 A)
&rst
ixpk= 26, nxpk= 20, iat=2002,2000, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 130 LEU HG 127 VAL HA 5.50 (# 27:20 Preassigned 3.73, 4.22 A)
&rst
ixpk= 27, nxpk= 20, iat=2056,2000, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 127 VAL HN 127 VAL HA 5.50 (# 29:20 Preassigned 2.83, 2.85 A)
&rst
ixpk= 29, nxpk= 20, iat=1998,2000, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 48 THR MG2 48 THR HA 4.00 (# 36:20 Preassigned 2.38, 2.97 A)
&rst
ixpk= 36, nxpk= 20, iat= -1, 720, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1= 724, 725, 726,
&end
#
# 53 ALA HN 52 VAL HA 6.00 (# 37:20 Preassigned 3.52, 3.61 A)
&rst
ixpk= 37, nxpk= 20, iat= 788, 774, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 55 GLU HG+ 52 VAL HA 5.50 (# 38:20 Preassigned 3.36, 4.67 A)
&rst
ixpk= 38, nxpk= 20, iat= -1, 774, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 815, 816,
&end
#
# 52 VAL MGY 52 VAL HA 4.00 (# 39:20 Preassigned 2.36, 3.33 A)
&rst
ixpk= 39, nxpk= 20, iat= -1, 774, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1= 778, 779, 780, 782, 783, 784,
&end
#
# 52 VAL MGX 52 VAL HA 4.00 (# 40:20 Preassigned 2.36, 3.33 A)
&rst
ixpk= 40, nxpk= 20, iat= -1, 774, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1= 778, 779, 780, 782, 783, 784,
&end
#
# 52 VAL HN 52 VAL HA 4.00 (# 41:20 Preassigned 2.85, 2.88 A)
&rst
ixpk= 41, nxpk= 20, iat= 772, 774, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 87 ILE HN 87 ILE HA 5.50 (# 42:20 Preassigned 2.78, 2.84 A)
&rst
ixpk= 42, nxpk= 20, iat=1352,1354, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 81 THR MG2 87 ILE HA 4.00 (# 44:20 Preassigned 2.62, 3.99 A)
&rst
ixpk= 44, nxpk= 20, iat= -1,1354, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1=1249,1250,1251,
&end
#
# 87 ILE HB 87 ILE HA 7.00 (# 45:20 Preassigned 2.11, 3.00 A)
&rst
ixpk= 45, nxpk= 20, iat=1356,1354, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 50 ILE QD1 47 PRO HA 4.00 (# 46:20 Preassigned 2.22, 3.37 A)
&rst
ixpk= 46, nxpk= 20, iat= -1, 714, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1= 755, 756, 757,
&end
#
# 50 ILE HB 47 PRO HA 4.00 (# 47:20 Preassigned 2.15, 2.37 A)
&rst
ixpk= 47, nxpk= 20, iat= 746, 714, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 50 ILE QG2 47 PRO HA 5.50 (# 48:20 Preassigned 3.87, 4.64 A)
&rst
ixpk= 48, nxpk= 20, iat= -1, 714, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 748, 749, 750,
&end
#
# 51 SER HN 48 THR HA 5.50 (# 49:20 Preassigned 2.97, 3.23 A)
&rst
ixpk= 49, nxpk= 20, iat= 761, 720, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 55 GLU HN 52 VAL HA 5.50 (# 50:20 Preassigned 3.15, 3.43 A)
&rst
ixpk= 50, nxpk= 20, iat= 808, 774, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:51 52 VAL HA 5.50 (# 51:20 Single Ambig )
&rst
ixpk= 51, nxpk= 20, iat= -1, 774, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 812, 813, 776,
&end
#
# 0 AMB 20-2:52 50 ILE HA 4.00 (# 52:20 Single Ambig )
&rst
ixpk= 52, nxpk= 20, iat= -1, 744, r1= 0.00, r2= 1.80, r3= 5.23, r4= 5.98,
igr1= 752, 753, 792, 793, 794,
&end
#
# 50 ILE QG2 50 ILE HA 4.00 (# 53:20 Preassigned 2.57, 3.23 A)
&rst
ixpk= 53, nxpk= 20, iat= -1, 744, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1= 748, 749, 750,
&end
#
# 50 ILE HG1- 50 ILE HA 5.50 (# 54:20 Preassigned 2.43, 2.73 A)
&rst
ixpk= 54, nxpk= 20, iat= -1, 744, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 752, 753,
&end
#
# 0 AMB 20-2:55 50 ILE HA 4.00 (# 55:20 Single Ambig )
&rst
ixpk= 55, nxpk= 20, iat= -1, 744, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1= 896, 897, 898, 900, 901, 902, 896, 897, 898, 900,
901, 902,
&end
#
# 50 ILE HN 50 ILE HA 5.50 (# 56:20 Preassigned 2.80, 2.82 A)
&rst
ixpk= 56, nxpk= 20, iat= 742, 744, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 50 ILE HB 50 ILE HA 5.50 (# 57:20 Preassigned 3.02, 3.04 A)
&rst
ixpk= 57, nxpk= 20, iat= 746, 744, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 90 LEU HB+ 87 ILE HA 5.50 (# 58:20 Preassigned 2.69, 3.98 A)
&rst
ixpk= 58, nxpk= 20, iat= -1,1354, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1414,1415,
&end
#
# 0 AMB 20-2:59 87 ILE HA 5.50 (# 59:20 Single Ambig )
&rst
ixpk= 59, nxpk= 20, iat= -1,1354, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1362,1363,1417,
&end
#
# 48 THR MG2 48 THR HB 4.00 (# 60:20 Preassigned 2.46, 2.67 A)
&rst
ixpk= 60, nxpk= 20, iat= -1, 722, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1= 724, 725, 726,
&end
#
# 47 PRO HG+ 47 PRO HA 7.00 (# 61:20 Preassigned 2.76, 3.47 A)
&rst
ixpk= 61, nxpk= 20, iat= -1, 714, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 708, 709,
&end
#
# 50 ILE HN 47 PRO HA 5.50 (# 62:20 Preassigned 3.09, 3.33 A)
&rst
ixpk= 62, nxpk= 20, iat= 742, 714, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 47 PRO HG- 47 PRO HA 5.50 (# 63:20 Preassigned 2.76, 3.47 A)
&rst
ixpk= 63, nxpk= 20, iat= -1, 714, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 708, 709,
&end
#
# 47 PRO HB- 47 PRO HA 5.50 (# 64:20 Preassigned 2.26, 2.66 A)
&rst
ixpk= 64, nxpk= 20, iat= -1, 714, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 711, 712,
&end
#
# 47 PRO HB+ 47 PRO HA 4.00 (# 65:20 Preassigned 2.26, 2.66 A)
&rst
ixpk= 65, nxpk= 20, iat= -1, 714, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 711, 712,
&end
#
# 45 ALA MB 50 ILE HA 5.50 (# 66:20 Preassigned 4.37, 5.44 A)
&rst
ixpk= 66, nxpk= 20, iat= -1, 744, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 686, 687, 688,
&end
#
# 42 GLY HA+ 41 VAL HA 5.50 (# 67:20 Preassigned 4.31, 4.41 A)
&rst
ixpk= 67, nxpk= 20, iat= -1, 632, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 648, 649,
&end
#
# 41 VAL HB 41 VAL HA 4.00 (# 68:20 Preassigned 2.33, 2.79 A)
&rst
ixpk= 68, nxpk= 20, iat= 634, 632, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 48 THR HN 48 THR HB 5.50 (# 69:20 Preassigned 2.49, 2.74 A)
&rst
ixpk= 69, nxpk= 20, iat= 718, 722, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 96 GLU HN 95 PRO HA 5.50 (# 70:20 Preassigned 3.31, 3.51 A)
&rst
ixpk= 70, nxpk= 20, iat=1496,1492, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 97 MET HN 95 PRO HA 5.50 (# 71:20 Preassigned 3.34, 3.63 A)
&rst
ixpk= 71, nxpk= 20, iat=1511,1492, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 95 PRO HB- 95 PRO HA 4.00 (# 72:20 Preassigned 2.28, 2.55 A)
&rst
ixpk= 72, nxpk= 20, iat= -1,1492, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1489,1490,
&end
#
# 95 PRO HB+ 95 PRO HA 4.00 (# 73:20 Preassigned 2.28, 2.55 A)
&rst
ixpk= 73, nxpk= 20, iat= -1,1492, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1489,1490,
&end
#
# 122 GLU HN 120 SER HB- 5.50 (# 74:20 Preassigned 2.41, 3.17 A)
&rst
ixpk= 74, nxpk= 20, iat=1929, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1898,1899,
&end
#
# 120 SER HN 120 SER HB- 4.00 (# 75:20 Preassigned 2.50, 3.05 A)
&rst
ixpk= 75, nxpk= 20, iat=1894, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2=1898,1899,
&end
#
# 91 CYS HA 95 PRO HA 4.00 (# 76:20 Preassigned 2.78, 3.48 A)
&rst
ixpk= 76, nxpk= 20, iat=1431,1492, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 98 ARG HG- 95 PRO HA 5.50 (# 77:20 Preassigned 2.37, 4.69 A)
&rst
ixpk= 77, nxpk= 20, iat= -1,1492, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1535,1536,
&end
#
# 41 VAL HN 41 VAL HA 5.50 (# 79:20 Preassigned 2.57, 2.65 A)
&rst
ixpk= 79, nxpk= 20, iat= 630, 632, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 41 VAL MGY 41 VAL HA 2.80 (# 80:20 Preassigned 2.48, 3.29 A)
&rst
ixpk= 80, nxpk= 20, iat= -1, 632, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 636, 637, 638, 640, 641, 642,
&end
#
# 41 VAL MGX 41 VAL HA 2.80 (# 81:20 Preassigned 2.48, 3.29 A)
&rst
ixpk= 81, nxpk= 20, iat= -1, 632, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 636, 637, 638, 640, 641, 642,
&end
#
# 42 GLY HN 41 VAL HA 4.00 (# 82:20 Preassigned 2.11, 2.13 A)
&rst
ixpk= 82, nxpk= 20, iat= 646, 632, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 43 LYS HN 41 VAL HA 5.50 (# 83:20 Preassigned 3.47, 3.67 A)
&rst
ixpk= 83, nxpk= 20, iat= 653, 632, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 66 ARG HA 41 VAL HA 5.50 (# 84:20 Preassigned 2.71, 3.20 A)
&rst
ixpk= 84, nxpk= 20, iat= 968, 632, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 42 GLY HA- 41 VAL HA 5.50 (# 85:20 Preassigned 4.31, 4.41 A)
&rst
ixpk= 85, nxpk= 20, iat= -1, 632, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 648, 649,
&end
#
# 65 ALA MB 41 VAL HA 4.00 (# 86:20 Preassigned 2.21, 3.21 A)
&rst
ixpk= 86, nxpk= 20, iat= -1, 632, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1= 960, 961, 962,
&end
#
# 95 PRO HG+ 95 PRO HA 5.50 (# 87:20 Unique 2.81, 3.87 A)
&rst
ixpk= 87, nxpk= 20, iat= -1,1492, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1486,1487,
&end
#
# 98 ARG HN 95 PRO HA 5.50 (# 88:20 Preassigned 3.00, 3.27 A)
&rst
ixpk= 88, nxpk= 20, iat=1528,1492, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 95 PRO HD- 95 PRO HA 5.50 (# 89:20 Preassigned 3.41, 3.76 A)
&rst
ixpk= 89, nxpk= 20, iat= -1,1492, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1483,1484,
&end
#
# 0 AMB 20-2:90 95 PRO HA 5.50 (# 90:20 Single Ambig )
&rst
ixpk= 90, nxpk= 20, iat= -1,1492, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1538,1539,1483,1484,
&end
#
# 17 PRO HB- 17 PRO HA 5.50 (# 91:20 Preassigned 2.23, 2.59 A)
&rst
ixpk= 91, nxpk= 20, iat= -1, 262, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 259, 260,
&end
#
# 17 PRO HG+ 17 PRO HA 5.50 (# 92:20 Preassigned 3.08, 3.81 A)
&rst
ixpk= 92, nxpk= 20, iat= -1, 262, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 256, 257,
&end
#
# 20 GLU HB- 17 PRO HA 5.50 (# 93:20 Preassigned 2.12, 4.40 A)
&rst
ixpk= 93, nxpk= 20, iat= -1, 262, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 294, 295,
&end
#
# 17 PRO HB+ 17 PRO HA 4.00 (# 94:20 Preassigned 2.23, 2.59 A)
&rst
ixpk= 94, nxpk= 20, iat= -1, 262, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 259, 260,
&end
#
# 20 GLU HB+ 17 PRO HA 5.50 (# 95:20 Preassigned 2.12, 4.40 A)
&rst
ixpk= 95, nxpk= 20, iat= -1, 262, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 294, 295,
&end
#
# 20 GLU HN 17 PRO HA 5.50 (# 96:20 Preassigned 3.32, 3.76 A)
&rst
ixpk= 96, nxpk= 20, iat= 290, 262, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 68 ILE QD1 73 CYS HA 5.50 (# 97:20 Preassigned 2.56, 4.17 A)
&rst
ixpk= 97, nxpk= 20, iat= -1,1106, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1020,1021,1022,
&end
#
# 73 CYS HB+ 73 CYS HA 5.50 (# 98:20 Preassigned 2.43, 2.77 A)
&rst
ixpk= 98, nxpk= 20, iat= -1,1106, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1108,1109,
&end
#
# 0 AMB 20-2:99 28 PRO HA 4.00 (# 99:20 Single Ambig )
&rst
ixpk= 99, nxpk= 20, iat= -1, 456, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1= 379, 380, 379, 380,
&end
#
# 24 GLN HA 28 PRO HA 5.50 (# 100:20 Preassigned 3.34, 3.91 A)
&rst
ixpk= 100, nxpk= 20, iat= 369, 456, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 28 PRO HD- 28 PRO HA 5.50 (# 101:20 Preassigned 3.45, 3.77 A)
&rst
ixpk= 101, nxpk= 20, iat= -1, 456, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 447, 448,
&end
#
# 28 PRO HB+ 28 PRO HA 2.80 (# 102:20 Preassigned 2.27, 2.58 A)
&rst
ixpk= 102, nxpk= 20, iat= -1, 456, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 453, 454,
&end
#
# 28 PRO HB- 28 PRO HA 4.00 (# 103:20 Preassigned 2.27, 2.58 A)
&rst
ixpk= 103, nxpk= 20, iat= -1, 456, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 453, 454,
&end
#
# 74 ARG HN 73 CYS HA 5.50 (# 104:20 Preassigned 3.58, 3.59 A)
&rst
ixpk= 104, nxpk= 20, iat=1115,1106, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 73 CYS HN 73 CYS HA 5.50 (# 105:20 Preassigned 2.75, 2.79 A)
&rst
ixpk= 105, nxpk= 20, iat=1104,1106, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 76 TYR HD 73 CYS HA 5.50 (# 106:20 Preassigned 3.54, 5.52 A)
&rst
ixpk= 106, nxpk= 20, iat= -1,1106, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1161,1170,
&end
#
# 73 CYS HB- 73 CYS HA 5.50 (# 107:20 Preassigned 2.43, 2.77 A)
&rst
ixpk= 107, nxpk= 20, iat= -1,1106, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1108,1109,
&end
#
# 79 ILE QD1 73 CYS HA 4.00 (# 108:20 Preassigned 2.75, 4.01 A)
&rst
ixpk= 108, nxpk= 20, iat= -1,1106, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1=1218,1219,1220,
&end
#
# 6 LEU MDX 73 CYS HA 5.50 (# 109:20 Preassigned 3.30, 5.73 A)
&rst
ixpk= 109, nxpk= 20, iat= -1,1106, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 97, 98, 99, 101, 102, 103,
&end
#
# 19 ALA HN 16 SER HA 5.50 (# 110:20 Preassigned 3.14, 3.42 A)
&rst
ixpk= 110, nxpk= 20, iat= 280, 243, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 82 MET ME 16 SER HA 4.00 (# 111:20 Preassigned 2.69, 4.24 A)
&rst
ixpk= 111, nxpk= 20, iat= -1, 243, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1=1268,1269,1270,
&end
#
# 7 VAL MGX 16 SER HA 5.50 (# 112:20 Preassigned 2.28, 3.91 A)
&rst
ixpk= 112, nxpk= 20, iat= -1, 243, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 113, 114, 115, 117, 118, 119,
&end
#
# 60 LEU HN 0 AMB 20-1:113 5.50 (# 113:20 Single Ambig )
&rst
ixpk= 113, nxpk= 20, iat= 887, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 880, 881, 880, 881,
&end
#
# 128 TYR HN 128 TYR HA 5.50 (# 116:20 Preassigned 2.78, 2.80 A)
&rst
ixpk= 116, nxpk= 20, iat=2014,2016, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 128 TYR HD 128 TYR HA 5.50 (# 117:20 Preassigned 2.52, 3.67 A)
&rst
ixpk= 117, nxpk= 20, iat= -1,2016, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2022,2031,
&end
#
# 128 TYR HB- 128 TYR HA 5.50 (# 118:20 Preassigned 2.38, 2.75 A)
&rst
ixpk= 118, nxpk= 20, iat= -1,2016, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2018,2019,
&end
#
# 127 VAL MGX 128 TYR HA 4.00 (# 119:20 Preassigned 3.52, 5.74 A)
&rst
ixpk= 119, nxpk= 20, iat= -1,2016, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1=2004,2005,2006,2008,2009,2010,
&end
#
# 129 THR HN 128 TYR HA 5.50 (# 120:20 Preassigned 3.59, 3.61 A)
&rst
ixpk= 120, nxpk= 20, iat=2035,2016, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 131 LEU HB- 128 TYR HA 5.50 (# 121:20 Preassigned 2.54, 4.59 A)
&rst
ixpk= 121, nxpk= 20, iat= -1,2016, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2072,2073,
&end
#
# 18 THR MG2 128 TYR HA 5.50 (# 122:20 Preassigned 2.19, 3.92 A)
&rst
ixpk= 122, nxpk= 20, iat= -1,2016, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 272, 273, 274,
&end
#
# 131 LEU MDX 128 TYR HA 4.00 (# 123:20 Preassigned 2.43, 4.09 A)
&rst
ixpk= 123, nxpk= 20, iat= -1,2016, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1=2077,2078,2079,2081,2082,2083,
&end
#
# 147 VAL HN 147 VAL HA 5.50 (# 124:20 Preassigned 2.71, 2.89 A)
&rst
ixpk= 124, nxpk= 20, iat=2324,2326, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:125 147 VAL HA 4.00 (# 125:20 Single Ambig )
&rst
ixpk= 125, nxpk= 20, iat= -1,2326, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1=2330,2331,2332,2334,2335,2336,2330,2331,2332,2334,
2335,2336,
&end
#
# 147 VAL HB 147 VAL HA 4.00 (# 126:20 Preassigned 2.50, 2.60 A)
&rst
ixpk= 126, nxpk= 20, iat=2328,2326, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 127 VAL HN 124 PHE HA 5.50 (# 127:20 Preassigned 3.26, 3.57 A)
&rst
ixpk= 127, nxpk= 20, iat=1998,1960, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 127 VAL HB 124 PHE HA 5.50 (# 130:20 Preassigned 2.35, 3.40 A)
&rst
ixpk= 130, nxpk= 20, iat=2002,1960, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 116 PRO HB- 124 PHE HA 5.50 (# 131:20 Preassigned 2.36, 2.85 A)
&rst
ixpk= 131, nxpk= 20, iat= -1,1960, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1820,1821,
&end
#
# 116 PRO HB+ 124 PHE HA 5.50 (# 133:20 Preassigned 2.36, 2.85 A)
&rst
ixpk= 133, nxpk= 20, iat= -1,1960, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1820,1821,
&end
#
# 0 AMB 20-2:134 124 PHE HA 5.50 (# 134:20 Single Ambig )
&rst
ixpk= 134, nxpk= 20, iat= -1,1960, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2004,2005,2006,2008,2009,2010,2004,2005,2006,2008,
2009,2010,
&end
#
# 128 TYR HB+ 128 TYR HA 5.50 (# 135:20 Preassigned 2.38, 2.75 A)
&rst
ixpk= 135, nxpk= 20, iat= -1,2016, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2018,2019,
&end
#
# 0 AMB 20-2:137 0 AMB 20-1:137 5.50 (# 137:20 Double Ambig )
&rst
ixpk= 137, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2311,2312, 812, 813,
igr2=2326, 765, 766,
&end
#
# 92 GLU HN 91 CYS HA 6.00 (# 138:20 Preassigned 3.55, 3.62 A)
&rst
ixpk= 138, nxpk= 20, iat=1440,1431, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 94 ALA HN 91 CYS HA 5.50 (# 151:20 Preassigned 2.97, 3.23 A)
&rst
ixpk= 151, nxpk= 20, iat=1472,1431, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 91 CYS HN 91 CYS HA 4.00 (# 152:20 Preassigned 2.85, 2.88 A)
&rst
ixpk= 152, nxpk= 20, iat=1429,1431, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 95 PRO HA 91 CYS HA 5.50 (# 153:20 Preassigned 2.78, 3.48 A)
&rst
ixpk= 153, nxpk= 20, iat=1492,1431, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 91 CYS HB- 91 CYS HA 5.50 (# 154:20 Preassigned 2.34, 2.73 A)
&rst
ixpk= 154, nxpk= 20, iat= -1,1431, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1433,1434,
&end
#
# 51 SER HN 51 SER HB- 4.00 (# 156:20 Preassigned 2.56, 3.10 A)
&rst
ixpk= 156, nxpk= 20, iat= 761, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2= 765, 766,
&end
#
# 51 SER HA 51 SER HB- 4.00 (# 157:20 Preassigned 2.43, 2.75 A)
&rst
ixpk= 157, nxpk= 20, iat= 763, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2= 765, 766,
&end
#
# 104 PHE HN 104 PHE HA 5.50 (# 158:20 Preassigned 2.69, 2.80 A)
&rst
ixpk= 158, nxpk= 20, iat=1633,1635, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 104 PHE HB- 104 PHE HA 5.50 (# 159:20 Preassigned 2.56, 2.83 A)
&rst
ixpk= 159, nxpk= 20, iat= -1,1635, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1637,1638,
&end
#
# 91 CYS HB+ 91 CYS HA 5.50 (# 160:20 Preassigned 2.34, 2.73 A)
&rst
ixpk= 160, nxpk= 20, iat= -1,1431, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1433,1434,
&end
#
# 95 PRO HB+ 91 CYS HA 5.50 (# 161:20 Preassigned 4.29, 5.63 A)
&rst
ixpk= 161, nxpk= 20, iat= -1,1431, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1489,1490,
&end
#
# 115 ASP HB- 114 PRO HA 5.50 (# 162:20 Preassigned 4.00, 4.61 A)
&rst
ixpk= 162, nxpk= 20, iat= -1,1797, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1805,1806,
&end
#
# 114 PRO HG+ 114 PRO HA 5.50 (# 163:20 Preassigned 2.86, 3.50 A)
&rst
ixpk= 163, nxpk= 20, iat= -1,1797, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1791,1792,
&end
#
# 115 ASP HN 114 PRO HA 4.00 (# 164:20 Preassigned 2.36, 2.48 A)
&rst
ixpk= 164, nxpk= 20, iat=1801,1797, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 115 ASP HB+ 114 PRO HA 5.50 (# 165:20 Preassigned 4.00, 4.61 A)
&rst
ixpk= 165, nxpk= 20, iat= -1,1797, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1805,1806,
&end
#
# 114 PRO HB+ 114 PRO HA 4.00 (# 166:20 Preassigned 2.30, 2.66 A)
&rst
ixpk= 166, nxpk= 20, iat= -1,1797, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1794,1795,
&end
#
# 114 PRO HB- 114 PRO HA 4.00 (# 167:20 Preassigned 2.30, 2.66 A)
&rst
ixpk= 167, nxpk= 20, iat= -1,1797, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1794,1795,
&end
#
# 104 PHE HD 104 PHE HA 4.00 (# 169:20 Preassigned 2.45, 3.43 A)
&rst
ixpk= 169, nxpk= 20, iat= -1,1635, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1641,1649,
&end
#
# 80 LEU MDY 104 PHE HA 5.50 (# 170:20 Preassigned 3.00, 5.57 A)
&rst
ixpk= 170, nxpk= 20, iat= -1,1635, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1233,1234,1235,1237,1238,1239,
&end
#
# 141 ALA HN 138 TRP HA 4.00 (# 171:20 Preassigned 2.96, 3.08 A)
&rst
ixpk= 171, nxpk= 20, iat=2239,2190, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 107 TRP HE1 138 TRP HA 5.50 (# 172:20 Preassigned 2.52, 3.02 A)
&rst
ixpk= 172, nxpk= 20, iat=1687,2190, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 138 TRP HB- 138 TRP HA 4.00 (# 173:20 Preassigned 2.55, 2.83 A)
&rst
ixpk= 173, nxpk= 20, iat= -1,2190, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=2192,2193,
&end
#
# 141 ALA MB 138 TRP HA 4.00 (# 174:20 Preassigned 2.47, 3.34 A)
&rst
ixpk= 174, nxpk= 20, iat= -1,2190, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1=2243,2244,2245,
&end
#
# 138 TRP HN 138 TRP HA 5.50 (# 175:20 Preassigned 2.83, 2.86 A)
&rst
ixpk= 175, nxpk= 20, iat=2188,2190, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 107 TRP HD1 138 TRP HA 5.50 (# 176:20 Preassigned 2.56, 4.28 A)
&rst
ixpk= 176, nxpk= 20, iat=1685,2190, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 68 ILE QD1 68 ILE HA 5.50 (# 177:20 Preassigned 2.18, 3.63 A)
&rst
ixpk= 177, nxpk= 20, iat= -1,1009, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1020,1021,1022,
&end
#
# 68 ILE HB 68 ILE HA 4.00 (# 178:20 Preassigned 2.42, 2.47 A)
&rst
ixpk= 178, nxpk= 20, iat=1011,1009, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 139 ALA HN 138 TRP HA 5.50 (# 179:20 Preassigned 3.60, 3.62 A)
&rst
ixpk= 179, nxpk= 20, iat=2212,2190, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 142 LEU HG 138 TRP HA 5.50 (# 180:20 Preassigned 4.15, 4.45 A)
&rst
ixpk= 180, nxpk= 20, iat=2256,2190, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 52 VAL HN 51 SER HA 5.50 (# 181:20 Preassigned 3.63, 3.66 A)
&rst
ixpk= 181, nxpk= 20, iat= 772, 763, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 51 SER HB- 51 SER HA 4.00 (# 183:20 Preassigned 2.43, 2.75 A)
&rst
ixpk= 183, nxpk= 20, iat= -1, 763, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 765, 766,
&end
#
# 50 ILE QG2 51 SER HA 4.00 (# 184:20 Preassigned 3.31, 4.63 A)
&rst
ixpk= 184, nxpk= 20, iat= -1, 763, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1= 748, 749, 750,
&end
#
# 54 ALA MB 51 SER HA 4.00 (# 185:20 Preassigned 2.72, 4.25 A)
&rst
ixpk= 185, nxpk= 20, iat= -1, 763, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1= 802, 803, 804,
&end
#
# 51 SER HN 51 SER HA 4.00 (# 186:20 Preassigned 2.78, 2.79 A)
&rst
ixpk= 186, nxpk= 20, iat= 761, 763, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 69 SER HN 68 ILE HA 4.00 (# 187:20 Preassigned 2.20, 2.34 A)
&rst
ixpk= 187, nxpk= 20, iat=1026,1009, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 68 ILE HG1+ 68 ILE HA 4.00 (# 188:20 Preassigned 2.25, 3.12 A)
&rst
ixpk= 188, nxpk= 20, iat= -1,1009, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1017,1018,
&end
#
# 72 LEU MDY 68 ILE HA 4.00 (# 189:20 Preassigned 2.18, 4.32 A)
&rst
ixpk= 189, nxpk= 20, iat= -1,1009, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1=1094,1095,1096,1098,1099,1100,
&end
#
# 72 LEU MDX 68 ILE HA 5.50 (# 190:20 Preassigned 2.18, 4.32 A)
&rst
ixpk= 190, nxpk= 20, iat= -1,1009, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1094,1095,1096,1098,1099,1100,
&end
#
# 68 ILE HN 68 ILE HA 5.50 (# 191:20 Preassigned 2.81, 2.87 A)
&rst
ixpk= 191, nxpk= 20, iat=1007,1009, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 54 ALA HN 51 SER HA 5.50 (# 192:20 Preassigned 3.71, 4.13 A)
&rst
ixpk= 192, nxpk= 20, iat= 798, 763, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 51 SER HB+ 51 SER HA 4.00 (# 193:20 Preassigned 2.43, 2.75 A)
&rst
ixpk= 193, nxpk= 20, iat= -1, 763, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 765, 766,
&end
#
# 84 LYS HN 84 LYS HA 5.50 (# 194:20 Preassigned 2.79, 2.85 A)
&rst
ixpk= 194, nxpk= 20, iat=1289,1291, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 87 ILE HB 84 LYS HA 5.50 (# 195:20 Preassigned 2.34, 2.79 A)
&rst
ixpk= 195, nxpk= 20, iat=1356,1291, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 84 LYS HB+ 84 LYS HA 5.50 (# 196:20 Preassigned 2.35, 2.60 A)
&rst
ixpk= 196, nxpk= 20, iat= -1,1291, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1293,1294,
&end
#
# 84 LYS HB- 84 LYS HA 4.00 (# 197:20 Preassigned 2.35, 2.60 A)
&rst
ixpk= 197, nxpk= 20, iat= -1,1291, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1293,1294,
&end
#
# 0 AMB 20-2:198 84 LYS HA 4.00 (# 198:20 Single Ambig )
&rst
ixpk= 198, nxpk= 20, iat= -1,1291, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=1296,1297,1296,1297,
&end
#
# 87 ILE QD1 84 LYS HA 4.00 (# 199:20 Preassigned 4.21, 4.82 A)
&rst
ixpk= 199, nxpk= 20, iat= -1,1291, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1=1365,1366,1367,
&end
#
# 103 LEU MDY 84 LYS HA 4.00 (# 200:20 Preassigned 2.55, 4.50 A)
&rst
ixpk= 200, nxpk= 20, iat= -1,1291, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1=1623,1624,1625,1627,1628,1629,
&end
#
# 121 ARG HB- 121 ARG HA 4.00 (# 201:20 Preassigned 2.30, 2.73 A)
&rst
ixpk= 201, nxpk= 20, iat= -1,1907, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1909,1910,
&end
#
# 121 ARG HB+ 121 ARG HA 4.00 (# 202:20 Preassigned 2.30, 2.73 A)
&rst
ixpk= 202, nxpk= 20, iat= -1,1907, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1909,1910,
&end
#
# 48 THR MG2 121 ARG HA 4.00 (# 203:20 Preassigned 2.35, 3.16 A)
&rst
ixpk= 203, nxpk= 20, iat= -1,1907, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1= 724, 725, 726,
&end
#
# 0 AMB 20-2:205 0 AMB 20-1:205 2.80 (# 205:20 Double Ambig )
&rst
ixpk= 205, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.11, r4= 4.86,
igr1=2141,2142,2143,1044,1045,
igr2=2089,1039,
&end
#
# 70 ARG HD+ 70 ARG HA 5.50 (# 207:20 Preassigned 2.17, 4.46 A)
&rst
ixpk= 207, nxpk= 20, iat= -1,1039, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1047,1048,
&end
#
# 0 AMB 20-2:209 0 AMB 20-1:209 4.00 (# 209:20 Double Ambig )
&rst
ixpk= 209, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.87, r4= 6.62,
igr1=1476,1477,1478, 333, 334,
igr2=1039,2089,
&end
#
# 73 CYS HB+ 70 ARG HA 5.50 (# 210:20 Preassigned 2.21, 3.18 A)
&rst
ixpk= 210, nxpk= 20, iat= -1,1039, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1108,1109,
&end
#
# 87 ILE HN 84 LYS HA 5.50 (# 212:20 Preassigned 2.80, 2.94 A)
&rst
ixpk= 212, nxpk= 20, iat=1352,1291, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 125 ALA MB 122 GLU HA 4.00 (# 213:20 Preassigned 2.41, 3.47 A)
&rst
ixpk= 213, nxpk= 20, iat= -1,1931, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1=1982,1983,1984,
&end
#
# 122 GLU HB- 122 GLU HA 5.50 (# 214:20 Preassigned 2.35, 2.70 A)
&rst
ixpk= 214, nxpk= 20, iat= -1,1931, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1933,1934,
&end
#
# 22 LEU MDX 132 GLU HA 5.50 (# 215:20 Preassigned 2.06, 3.82 A)
&rst
ixpk= 215, nxpk= 20, iat= -1,2089, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 338, 339, 340, 342, 343, 344,
&end
#
# 132 GLU HN 132 GLU HA 5.50 (# 216:20 Preassigned 2.88, 2.92 A)
&rst
ixpk= 216, nxpk= 20, iat=2087,2089, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 132 GLU HG+ 132 GLU HA 4.00 (# 217:20 Preassigned 2.42, 2.95 A)
&rst
ixpk= 217, nxpk= 20, iat= -1,2089, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=2094,2095,
&end
#
# 22 LEU MDY 132 GLU HA 2.80 (# 218:20 Preassigned 2.06, 3.82 A)
&rst
ixpk= 218, nxpk= 20, iat= -1,2089, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 338, 339, 340, 342, 343, 344,
&end
#
# 0 AMB 20-2:219 122 GLU HA 4.00 (# 219:20 Single Ambig )
&rst
ixpk= 219, nxpk= 20, iat= -1,1931, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1929,1978,
&end
#
# 0 AMB 20-2:220 122 GLU HA 5.50 (# 220:20 Single Ambig )
&rst
ixpk= 220, nxpk= 20, iat= -1,1931, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1944,1988,
&end
#
# 122 GLU HG+ 122 GLU HA 5.50 (# 221:20 Preassigned 2.39, 3.28 A)
&rst
ixpk= 221, nxpk= 20, iat= -1,1931, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1936,1937,
&end
#
# 122 GLU HG- 122 GLU HA 4.00 (# 222:20 Preassigned 2.39, 3.28 A)
&rst
ixpk= 222, nxpk= 20, iat= -1,1931, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1936,1937,
&end
#
# 122 GLU HB+ 122 GLU HA 4.00 (# 223:20 Preassigned 2.35, 2.70 A)
&rst
ixpk= 223, nxpk= 20, iat= -1,1931, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1933,1934,
&end
#
# 134 SER HN 133 ARG HA 6.00 (# 224:20 Preassigned 3.59, 3.61 A)
&rst
ixpk= 224, nxpk= 20, iat=2126,2104, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 110 GLU HA 106 HIS HA 4.00 (# 226:20 Preassigned 2.04, 2.72 A)
&rst
ixpk= 226, nxpk= 20, iat=1729,1662, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 136 ARG HB+ 136 ARG HA 4.00 (# 227:20 Preassigned 2.29, 2.73 A)
&rst
ixpk= 227, nxpk= 20, iat= -1,2149, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=2151,2152,
&end
#
# 136 ARG HB- 136 ARG HA 5.50 (# 228:20 Preassigned 2.29, 2.73 A)
&rst
ixpk= 228, nxpk= 20, iat= -1,2149, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2151,2152,
&end
#
# 136 ARG HN 136 ARG HA 5.50 (# 229:20 Preassigned 2.84, 2.86 A)
&rst
ixpk= 229, nxpk= 20, iat=2147,2149, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 117 TYR HN 117 TYR HA 4.00 (# 230:20 Preassigned 2.19, 2.64 A)
&rst
ixpk= 230, nxpk= 20, iat=1827,1829, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 0 AMB 20-2:231 117 TYR HA 5.50 (# 231:20 Single Ambig )
&rst
ixpk= 231, nxpk= 20, iat= -1,1829, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1970,1968,1972,
&end
#
# 118 ARG HA 117 TYR HA 5.50 (# 232:20 Preassigned 4.28, 4.48 A)
&rst
ixpk= 232, nxpk= 20, iat=1850,1829, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 118 ARG HN 117 TYR HA 4.00 (# 233:20 Preassigned 2.09, 2.86 A)
&rst
ixpk= 233, nxpk= 20, iat=1848,1829, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 117 TYR HD 117 TYR HA 4.00 (# 234:20 Preassigned 2.20, 3.47 A)
&rst
ixpk= 234, nxpk= 20, iat= -1,1829, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1835,1844,
&end
#
# 117 TYR HB- 117 TYR HA 5.50 (# 235:20 Preassigned 2.36, 2.74 A)
&rst
ixpk= 235, nxpk= 20, iat= -1,1829, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1831,1832,
&end
#
# 117 TYR HB+ 117 TYR HA 5.50 (# 236:20 Preassigned 2.36, 2.74 A)
&rst
ixpk= 236, nxpk= 20, iat= -1,1829, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1831,1832,
&end
#
# 99 GLY HN 98 ARG HA 4.00 (# 237:20 Preassigned 2.34, 2.90 A)
&rst
ixpk= 237, nxpk= 20, iat=1552,1530, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 100 LYS HN 98 ARG HA 6.00 (# 238:20 Preassigned 3.07, 3.68 A)
&rst
ixpk= 238, nxpk= 20, iat=1559,1530, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 98 ARG HD+ 98 ARG HA 5.50 (# 239:20 Preassigned 3.94, 4.57 A)
&rst
ixpk= 239, nxpk= 20, iat= -1,1530, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1538,1539,
&end
#
# 98 ARG HB- 98 ARG HA 4.00 (# 240:20 Preassigned 2.21, 2.44 A)
&rst
ixpk= 240, nxpk= 20, iat= -1,1530, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1532,1533,
&end
#
# 98 ARG HG+ 98 ARG HA 5.50 (# 241:20 Preassigned 3.63, 3.91 A)
&rst
ixpk= 241, nxpk= 20, iat= -1,1530, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1535,1536,
&end
#
# 0 AMB 20-2:242 98 ARG HA 5.50 (# 242:20 Single Ambig )
&rst
ixpk= 242, nxpk= 20, iat= -1,1530, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1587,1588,1589,1591,1592,1593,1587,1588,1589,1591,
1592,1593,
&end
#
# 98 ARG HN 98 ARG HA 5.50 (# 243:20 Preassigned 2.69, 2.81 A)
&rst
ixpk= 243, nxpk= 20, iat=1528,1530, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 136 ARG HG- 133 ARG HA 5.50 (# 245:20 Preassigned 2.30, 4.75 A)
&rst
ixpk= 245, nxpk= 20, iat= -1,2104, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2154,2155,
&end
#
# 133 ARG HG- 133 ARG HA 4.00 (# 246:20 Preassigned 2.36, 2.99 A)
&rst
ixpk= 246, nxpk= 20, iat= -1,2104, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=2109,2110,
&end
#
# 133 ARG HN 133 ARG HA 4.00 (# 247:20 Unique 2.81, 2.86 A)
&rst
ixpk= 247, nxpk= 20, iat=2102,2104, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 0 AMB 20-2:248 133 ARG HA 5.50 (# 248:20 Single Ambig )
&rst
ixpk= 248, nxpk= 20, iat= -1,2104, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2157,2158,2157,2158,
&end
#
# 133 ARG HG+ 133 ARG HA 5.50 (# 249:20 Preassigned 2.36, 2.99 A)
&rst
ixpk= 249, nxpk= 20, iat= -1,2104, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2109,2110,
&end
#
# 106 HIS HN 106 HIS HA 5.50 (# 250:20 Preassigned 2.74, 2.81 A)
&rst
ixpk= 250, nxpk= 20, iat=1660,1662, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 136 ARG HG+ 136 ARG HA 4.00 (# 251:20 Preassigned 2.36, 3.15 A)
&rst
ixpk= 251, nxpk= 20, iat= -1,2149, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=2154,2155,
&end
#
# 139 ALA MB 136 ARG HA 4.00 (# 252:20 Preassigned 2.34, 3.33 A)
&rst
ixpk= 252, nxpk= 20, iat= -1,2149, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1=2216,2217,2218,
&end
#
# 139 ALA HN 136 ARG HA 5.50 (# 253:20 Preassigned 3.10, 3.33 A)
&rst
ixpk= 253, nxpk= 20, iat=2212,2149, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:254 26 TYR HA 5.50 (# 254:20 Single Ambig )
&rst
ixpk= 254, nxpk= 20, iat= -1, 410, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 391, 392,2216,2217,2218,
&end
#
# 27 HIS HN 26 TYR HA 5.50 (# 255:20 Preassigned 3.29, 3.50 A)
&rst
ixpk= 255, nxpk= 20, iat= 429, 410, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 88 GLU HN 88 GLU HA 5.50 (# 256:20 Preassigned 2.80, 2.84 A)
&rst
ixpk= 256, nxpk= 20, iat=1371,1373, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 88 GLU HG+ 88 GLU HA 4.00 (# 257:20 Preassigned 2.38, 2.92 A)
&rst
ixpk= 257, nxpk= 20, iat= -1,1373, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1378,1379,
&end
#
# 0 AMB 20-2:258 88 GLU HA 2.80 (# 258:20 Single Ambig )
&rst
ixpk= 258, nxpk= 20, iat= -1,1373, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1375,1376,1375,1376,
&end
#
# 0 AMB 20-2:259 26 TYR HA 5.50 (# 259:20 Single Ambig )
&rst
ixpk= 259, nxpk= 20, iat= -1, 410, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 418, 423, 442,
&end
#
# 26 TYR HN 26 TYR HA 4.00 (# 260:20 Preassigned 2.84, 2.91 A)
&rst
ixpk= 260, nxpk= 20, iat= 408, 410, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 26 TYR HD 26 TYR HA 2.80 (# 261:20 Preassigned 2.06, 3.41 A)
&rst
ixpk= 261, nxpk= 20, iat= -1, 410, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 416, 425,
&end
#
# 26 TYR HB+ 26 TYR HA 4.00 (# 262:20 Preassigned 2.42, 2.75 A)
&rst
ixpk= 262, nxpk= 20, iat= -1, 410, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 412, 413,
&end
#
# 111 CYS HB- 111 CYS HA 4.00 (# 263:20 Preassigned 2.45, 2.78 A)
&rst
ixpk= 263, nxpk= 20, iat= -1,1744, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1746,1747,
&end
#
# 88 GLU HG- 88 GLU HA 4.00 (# 264:20 Preassigned 2.38, 2.92 A)
&rst
ixpk= 264, nxpk= 20, iat= -1,1373, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1378,1379,
&end
#
# 71 ARG HN 71 ARG HA 5.50 (# 265:20 Unique 2.81, 2.85 A)
&rst
ixpk= 265, nxpk= 20, iat=1061,1063, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 71 ARG HB- 71 ARG HA 4.00 (# 266:20 Preassigned 2.43, 2.74 A)
&rst
ixpk= 266, nxpk= 20, iat= -1,1063, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1065,1066,
&end
#
# 71 ARG HG+ 71 ARG HA 4.00 (# 267:20 Preassigned 2.47, 3.16 A)
&rst
ixpk= 267, nxpk= 20, iat= -1,1063, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1068,1069,
&end
#
# 71 ARG HB+ 71 ARG HA 4.00 (# 268:20 Unique 2.43, 2.74 A)
&rst
ixpk= 268, nxpk= 20, iat= -1,1063, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1065,1066,
&end
#
# 0 AMB 20-2:269 0 AMB 20-1:269 4.00 (# 269:20 Double Ambig )
&rst
ixpk= 269, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=2171,1085,
igr2=2173,1063,
&end
#
# 140 GLN HN 137 GLN HA 5.50 (# 270:20 Unique 2.98, 3.12 A)
&rst
ixpk= 270, nxpk= 20, iat=2222,2173, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 112 GLU HN 111 CYS HA 4.00 (# 271:20 Preassigned 2.18, 2.32 A)
&rst
ixpk= 271, nxpk= 20, iat=1753,1744, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 111 CYS HB+ 111 CYS HA 5.50 (# 272:20 Preassigned 2.45, 2.78 A)
&rst
ixpk= 272, nxpk= 20, iat= -1,1744, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1746,1747,
&end
#
# 91 CYS HN 90 LEU HA 5.50 (# 273:20 Preassigned 3.61, 3.65 A)
&rst
ixpk= 273, nxpk= 20, iat=1429,1412, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 140 GLN HB- 137 GLN HA 4.00 (# 274:20 Preassigned 2.20, 3.20 A)
&rst
ixpk= 274, nxpk= 20, iat= -1,2173, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=2226,2227,
&end
#
# 137 GLN HG+ 137 GLN HA 5.50 (# 275:20 Preassigned 2.52, 3.02 A)
&rst
ixpk= 275, nxpk= 20, iat= -1,2173, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2178,2179,
&end
#
# 0 AMB 20-2:276 137 GLN HA 4.00 (# 276:20 Single Ambig )
&rst
ixpk= 276, nxpk= 20, iat= -1,2173, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=2229,2230,2178,2179,
&end
#
# 140 GLN HG- 137 GLN HA 4.00 (# 277:20 Preassigned 2.32, 3.94 A)
&rst
ixpk= 277, nxpk= 20, iat= -1,2173, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=2229,2230,
&end
#
# 118 ARG HN 118 ARG HA 4.00 (# 278:20 Preassigned 2.21, 2.59 A)
&rst
ixpk= 278, nxpk= 20, iat=1848,1850, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 0 AMB 20-2:279 0 AMB 20-1:279 4.00 (# 279:20 Double Ambig )
&rst
ixpk= 279, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
igr1= 522, 523, 524, 526, 527, 528,1855,1856,
igr2= 292,1850,
&end
#
# 7 VAL MGY 20 GLU HA 4.00 (# 280:20 Preassigned 2.30, 4.90 A)
&rst
ixpk= 280, nxpk= 20, iat= -1, 292, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1= 113, 114, 115, 117, 118, 119,
&end
#
# 20 GLU HB+ 20 GLU HA 5.50 (# 281:20 Preassigned 2.29, 2.49 A)
&rst
ixpk= 281, nxpk= 20, iat= -1, 292, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 294, 295,
&end
#
# 20 GLU HN 20 GLU HA 5.50 (# 283:20 Preassigned 2.79, 2.82 A)
&rst
ixpk= 283, nxpk= 20, iat= 290, 292, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 32 VAL MGX 20 GLU HA 4.00 (# 284:20 Preassigned 2.12, 3.72 A)
&rst
ixpk= 284, nxpk= 20, iat= -1, 292, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1= 522, 523, 524, 526, 527, 528,
&end
#
# 23 LEU HN 23 LEU HA 5.50 (# 289:20 Preassigned 2.83, 2.85 A)
&rst
ixpk= 289, nxpk= 20, iat= 348, 350, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 23 LEU HB+ 23 LEU HA 5.50 (# 290:20 Preassigned 2.57, 2.82 A)
&rst
ixpk= 290, nxpk= 20, iat= -1, 350, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 352, 353,
&end
#
# 26 TYR HN 23 LEU HA 5.50 (# 291:20 Preassigned 3.34, 3.46 A)
&rst
ixpk= 291, nxpk= 20, iat= 408, 350, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 135 ALA MB 23 LEU HA 4.00 (# 292:20 Preassigned 2.83, 4.58 A)
&rst
ixpk= 292, nxpk= 20, iat= -1, 350, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1=2141,2142,2143,
&end
#
# 23 LEU MDY 23 LEU HA 4.00 (# 293:20 Preassigned 2.15, 3.80 A)
&rst
ixpk= 293, nxpk= 20, iat= -1, 350, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1= 357, 358, 359, 361, 362, 363,
&end
#
# 26 TYR HD 23 LEU HA 5.50 (# 294:20 Preassigned 2.23, 4.65 A)
&rst
ixpk= 294, nxpk= 20, iat= -1, 350, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 416, 425,
&end
#
# 23 LEU MDX 23 LEU HA 4.00 (# 295:20 Preassigned 2.15, 3.80 A)
&rst
ixpk= 295, nxpk= 20, iat= -1, 350, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1= 357, 358, 359, 361, 362, 363,
&end
#
# 85 ARG HG- 85 ARG HA 5.50 (# 296:20 Preassigned 2.52, 3.30 A)
&rst
ixpk= 296, nxpk= 20, iat= -1,1313, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1318,1319,
&end
#
# 93 MET HG+ 92 GLU HA 5.50 (# 298:20 Preassigned 5.49, 6.18 A)
&rst
ixpk= 298, nxpk= 20, iat= -1,1442, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1462,1463,
&end
#
# 25 ARG HN 25 ARG HA 2.80 (# 299:20 Preassigned 2.80, 2.82 A)
&rst
ixpk= 299, nxpk= 20, iat= 384, 386, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 25 ARG HG+ 25 ARG HA 4.00 (# 301:20 Preassigned 2.35, 2.91 A)
&rst
ixpk= 301, nxpk= 20, iat= -1, 386, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 391, 392,
&end
#
# 117 TYR HA 118 ARG HA 5.50 (# 302:20 Preassigned 4.28, 4.48 A)
&rst
ixpk= 302, nxpk= 20, iat=1829,1850, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 119 LYS HN 118 ARG HA 4.00 (# 303:20 Preassigned 2.83, 3.07 A)
&rst
ixpk= 303, nxpk= 20, iat=1872,1850, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 0 AMB 20-2:304 118 ARG HA 5.50 (# 304:20 Single Ambig )
&rst
ixpk= 304, nxpk= 20, iat= -1,1850, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1858,1859,1858,1859,
&end
#
# 118 ARG HG+ 118 ARG HA 5.50 (# 305:20 Preassigned 2.46, 3.14 A)
&rst
ixpk= 305, nxpk= 20, iat= -1,1850, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1855,1856,
&end
#
# 77 ASP HN 76 TYR HA 5.50 (# 306:20 Preassigned 2.29, 2.49 A)
&rst
ixpk= 306, nxpk= 20, iat=1174,1155, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 4 ASN HB+ 76 TYR HA 5.50 (# 307:20 Preassigned 2.09, 3.15 A)
&rst
ixpk= 307, nxpk= 20, iat= -1,1155, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 59, 60,
&end
#
# 76 TYR HB- 76 TYR HA 5.50 (# 308:20 Preassigned 2.39, 2.74 A)
&rst
ixpk= 308, nxpk= 20, iat= -1,1155, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1157,1158,
&end
#
# 76 TYR HB+ 76 TYR HA 5.50 (# 309:20 Preassigned 2.39, 2.74 A)
&rst
ixpk= 309, nxpk= 20, iat= -1,1155, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1157,1158,
&end
#
# 96 GLU HB- 96 GLU HA 4.00 (# 310:20 Preassigned 2.38, 2.54 A)
&rst
ixpk= 310, nxpk= 20, iat= -1,1498, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1500,1501,
&end
#
# 96 GLU HN 96 GLU HA 4.00 (# 311:20 Preassigned 2.78, 2.86 A)
&rst
ixpk= 311, nxpk= 20, iat=1496,1498, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 88 GLU HG+ 85 ARG HA 5.50 (# 313:20 Preassigned 3.36, 4.62 A)
&rst
ixpk= 313, nxpk= 20, iat= -1,1313, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1378,1379,
&end
#
# 85 ARG HB+ 85 ARG HA 4.00 (# 314:20 Preassigned 2.36, 2.64 A)
&rst
ixpk= 314, nxpk= 20, iat= -1,1313, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1315,1316,
&end
#
# 0 AMB 20-2:316 85 ARG HA 5.50 (# 316:20 Single Ambig )
&rst
ixpk= 316, nxpk= 20, iat= -1,1313, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1318,1319,1296,1297,
&end
#
# 85 ARG HN 85 ARG HA 5.50 (# 317:20 Preassigned 2.81, 2.84 A)
&rst
ixpk= 317, nxpk= 20, iat=1311,1313, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 88 GLU HG- 85 ARG HA 5.50 (# 318:20 Unique 3.36, 4.62 A)
&rst
ixpk= 318, nxpk= 20, iat= -1,1313, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1378,1379,
&end
#
# 0 AMB 20-2:319 85 ARG HA 2.80 (# 319:20 Single Ambig )
&rst
ixpk= 319, nxpk= 20, iat= -1,1313, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1375,1376,1375,1376,
&end
#
# 140 GLN HB- 140 GLN HA 4.00 (# 320:20 Preassigned 2.20, 2.68 A)
&rst
ixpk= 320, nxpk= 20, iat= -1,2224, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=2226,2227,
&end
#
# 141 ALA HN 140 GLN HA 5.50 (# 321:20 Preassigned 3.56, 3.59 A)
&rst
ixpk= 321, nxpk= 20, iat=2239,2224, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 143 ASN HD2- 140 GLN HA 5.50 (# 322:20 Preassigned 3.06, 4.39 A)
&rst
ixpk= 322, nxpk= 20, iat= -1,2224, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2277,2278,
&end
#
# 0 AMB 20-2:323 140 GLN HA 5.50 (# 323:20 Single Ambig )
&rst
ixpk= 323, nxpk= 20, iat= -1,2224, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=2216,2217,2218,2253,2254,
&end
#
# 144 ALA MB 140 GLN HA 5.50 (# 324:20 Preassigned 4.65, 6.03 A)
&rst
ixpk= 324, nxpk= 20, iat= -1,2224, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=2286,2287,2288,
&end
#
# 130 LEU MDY 130 LEU HA 2.80 (# 325:20 Preassigned 2.22, 3.80 A)
&rst
ixpk= 325, nxpk= 20, iat= -1,2051, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=2058,2059,2060,2062,2063,2064,
&end
#
# 104 PHE HD 131 LEU HA 5.50 (# 326:20 Preassigned 2.57, 4.91 A)
&rst
ixpk= 326, nxpk= 20, iat= -1,2070, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1641,1649,
&end
#
# 92 GLU HN 92 GLU HA 4.00 (# 330:20 Preassigned 2.81, 2.84 A)
&rst
ixpk= 330, nxpk= 20, iat=1440,1442, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 25 ARG HG- 25 ARG HA 2.80 (# 331:20 Preassigned 2.35, 2.91 A)
&rst
ixpk= 331, nxpk= 20, iat= -1, 386, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 391, 392,
&end
#
# 0 AMB 20-2:332 0 AMB 20-1:332 5.50 (# 332:20 Double Ambig )
&rst
ixpk= 332, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1455, 408,
igr2=1412, 386,
&end
#
# 90 LEU HN 90 LEU HA 5.50 (# 333:20 Preassigned 2.81, 2.84 A)
&rst
ixpk= 333, nxpk= 20, iat=1410,1412, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 90 LEU HB- 90 LEU HA 4.00 (# 334:20 Preassigned 2.46, 2.81 A)
&rst
ixpk= 334, nxpk= 20, iat= -1,1412, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1414,1415,
&end
#
# 90 LEU MDY 90 LEU HA 4.00 (# 335:20 Preassigned 2.20, 3.91 A)
&rst
ixpk= 335, nxpk= 20, iat= -1,1412, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1=1419,1420,1421,1423,1424,1425,
&end
#
# 90 LEU HG 90 LEU HA 5.50 (# 336:20 Preassigned 2.25, 2.61 A)
&rst
ixpk= 336, nxpk= 20, iat=1417,1412, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 122 GLU HN 120 SER HA 5.50 (# 337:20 Preassigned 4.06, 4.31 A)
&rst
ixpk= 337, nxpk= 20, iat=1929,1896, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 120 SER HB+ 120 SER HA 4.00 (# 338:20 Preassigned 2.38, 2.72 A)
&rst
ixpk= 338, nxpk= 20, iat= -1,1896, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1898,1899,
&end
#
# 76 TYR HD 76 TYR HA 5.50 (# 339:20 Preassigned 2.77, 3.55 A)
&rst
ixpk= 339, nxpk= 20, iat= -1,1155, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1161,1170,
&end
#
# 0 AMB 20-2:340 76 TYR HA 4.00 (# 340:20 Single Ambig )
&rst
ixpk= 340, nxpk= 20, iat= -1,1155, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1=1153,1148,1149,
&end
#
# 4 ASN HB- 76 TYR HA 4.00 (# 341:20 Preassigned 2.09, 3.15 A)
&rst
ixpk= 341, nxpk= 20, iat= -1,1155, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 59, 60,
&end
#
# 85 ARG HD- 85 ARG HA 5.50 (# 342:20 Preassigned 2.17, 4.51 A)
&rst
ixpk= 342, nxpk= 20, iat= -1,1313, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1321,1322,
&end
#
# 0 AMB 20-2:343 72 LEU HA 4.00 (# 343:20 Single Ambig )
&rst
ixpk= 343, nxpk= 20, iat= -1,1087, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1085,1104,
&end
#
# 72 LEU MDY 72 LEU HA 4.00 (# 345:20 Preassigned 2.16, 3.92 A)
&rst
ixpk= 345, nxpk= 20, iat= -1,1087, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1=1094,1095,1096,1098,1099,1100,
&end
#
# 0 AMB 20-2:346 0 AMB 20-1:346 5.50 (# 346:20 Double Ambig )
&rst
ixpk= 346, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1459,1460,2229,2230,
igr2=1457,2224,
&end
#
# 0 AMB 20-2:347 0 AMB 20-1:347 4.00 (# 347:20 Double Ambig )
&rst
ixpk= 347, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
igr1=1462,1463,2229,2230,
igr2=1457,2224,
&end
#
# 143 ASN HB+ 140 GLN HA 5.50 (# 349:20 Preassigned 2.08, 2.67 A)
&rst
ixpk= 349, nxpk= 20, iat= -1,2224, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2272,2273,
&end
#
# 143 ASN HB- 140 GLN HA 5.50 (# 350:20 Preassigned 2.08, 2.67 A)
&rst
ixpk= 350, nxpk= 20, iat= -1,2224, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2272,2273,
&end
#
# 131 LEU MDY 131 LEU HA 5.50 (# 351:20 Preassigned 2.10, 4.49 A)
&rst
ixpk= 351, nxpk= 20, iat= -1,2070, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2077,2078,2079,2081,2082,2083,
&end
#
# 131 LEU HN 0 AMB 20-1:352 5.50 (# 352:20 Single Ambig )
&rst
ixpk= 352, nxpk= 20, iat=2068, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2070,2051,
&end
#
# 27 HIS HN 24 GLN HA 5.50 (# 353:20 Preassigned 2.92, 3.25 A)
&rst
ixpk= 353, nxpk= 20, iat= 429, 369, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 131 LEU MDY 131 LEU HA 4.00 (# 354:20 Preassigned 2.10, 4.49 A)
&rst
ixpk= 354, nxpk= 20, iat= -1,2070, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1=2077,2078,2079,2081,2082,2083,
&end
#
# 24 GLN HN 24 GLN HA 4.00 (# 355:20 Preassigned 2.80, 2.83 A)
&rst
ixpk= 355, nxpk= 20, iat= 367, 369, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 0 AMB 20-2:356 24 GLN HA 4.00 (# 356:20 Single Ambig )
&rst
ixpk= 356, nxpk= 20, iat= -1, 369, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1= 379, 380, 379, 380,
&end
#
# 0 AMB 20-2:357 24 GLN HA 4.00 (# 357:20 Single Ambig )
&rst
ixpk= 357, nxpk= 20, iat= -1, 369, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1= 374, 375, 374, 375,
&end
#
# 0 AMB 20-2:358 0 AMB 20-1:358 5.50 (# 358:20 Double Ambig )
&rst
ixpk= 358, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 887, 348,
igr2= 908, 369,
&end
#
# 22 LEU MDY 22 LEU HA 5.50 (# 359:20 Preassigned 2.12, 3.83 A)
&rst
ixpk= 359, nxpk= 20, iat= -1, 331, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 338, 339, 340, 342, 343, 344,
&end
#
# 22 LEU MDX 22 LEU HA 2.80 (# 360:20 Preassigned 2.12, 3.83 A)
&rst
ixpk= 360, nxpk= 20, iat= -1, 331, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 338, 339, 340, 342, 343, 344,
&end
#
# 58 LEU MDY 22 LEU HA 4.00 (# 361:20 Preassigned 2.21, 4.69 A)
&rst
ixpk= 361, nxpk= 20, iat= -1, 331, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1= 866, 867, 868, 870, 871, 872,
&end
#
# 22 LEU HN 22 LEU HA 5.50 (# 362:20 Preassigned 2.86, 2.88 A)
&rst
ixpk= 362, nxpk= 20, iat= 329, 331, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 22 LEU HB- 22 LEU HA 4.00 (# 363:20 Preassigned 2.55, 2.82 A)
&rst
ixpk= 363, nxpk= 20, iat= -1, 331, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 333, 334,
&end
#
# 63 HIS HN 63 HIS HA 4.00 (# 364:20 Preassigned 2.81, 2.92 A)
&rst
ixpk= 364, nxpk= 20, iat= 928, 930, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 75 ASN HD2- 72 LEU HA 5.50 (# 365:20 Preassigned 4.13, 5.18 A)
&rst
ixpk= 365, nxpk= 20, iat= -1,1087, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1148,1149,
&end
#
# 72 LEU MDX 72 LEU HA 5.50 (# 366:20 Preassigned 2.16, 3.92 A)
&rst
ixpk= 366, nxpk= 20, iat= -1,1087, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1094,1095,1096,1098,1099,1100,
&end
#
# 0 AMB 20-2:367 0 AMB 20-1:367 5.50 (# 367:20 Double Ambig )
&rst
ixpk= 367, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1139, 945,
igr2=1087, 947,
&end
#
# 75 ASN HD2+ 72 LEU HA 5.50 (# 368:20 Preassigned 4.13, 5.18 A)
&rst
ixpk= 368, nxpk= 20, iat= -1,1087, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1148,1149,
&end
#
# 93 MET HN 93 MET HA 5.50 (# 369:20 Preassigned 2.85, 2.88 A)
&rst
ixpk= 369, nxpk= 20, iat=1455,1457, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:370 0 AMB 20-1:370 5.50 (# 370:20 Double Ambig )
&rst
ixpk= 370, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1472, 675,
igr2=1457, 947,
&end
#
# 93 MET HG- 93 MET HA 4.00 (# 371:20 Preassigned 2.33, 2.83 A)
&rst
ixpk= 371, nxpk= 20, iat= -1,1457, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1462,1463,
&end
#
# 93 MET HB- 93 MET HA 5.50 (# 372:20 Preassigned 2.33, 2.76 A)
&rst
ixpk= 372, nxpk= 20, iat= -1,1457, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1459,1460,
&end
#
# 93 MET HN 93 MET HA 5.50 (# 373:20 Preassigned 2.85, 2.88 A)
&rst
ixpk= 373, nxpk= 20, iat=1455,1457, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 62 GLY HN 61 GLU HA 4.00 (# 374:20 Preassigned 2.22, 2.78 A)
&rst
ixpk= 374, nxpk= 20, iat= 921, 908, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 61 GLU HN 61 GLU HA 5.50 (# 375:20 Preassigned 2.25, 2.79 A)
&rst
ixpk= 375, nxpk= 20, iat= 906, 908, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 28 PRO HA 24 GLN HA 5.50 (# 376:20 Preassigned 3.34, 3.91 A)
&rst
ixpk= 376, nxpk= 20, iat= 456, 369, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:377 61 GLU HA 5.50 (# 377:20 Single Ambig )
&rst
ixpk= 377, nxpk= 20, iat= -1, 908, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 913, 914, 913, 914,
&end
#
# 59 SER HA 57 GLN HA 5.50 (# 378:20 Preassigned 5.11, 5.44 A)
&rst
ixpk= 378, nxpk= 20, iat= 878, 842, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 65 ALA HN 64 CYS HA 2.80 (# 379:20 Preassigned 2.11, 2.21 A)
&rst
ixpk= 379, nxpk= 20, iat= 956, 947, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 64 CYS HB- 64 CYS HA 4.00 (# 380:20 Preassigned 2.36, 2.78 A)
&rst
ixpk= 380, nxpk= 20, iat= -1, 947, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 949, 950,
&end
#
# 64 CYS HB+ 64 CYS HA 4.00 (# 381:20 Preassigned 2.36, 2.78 A)
&rst
ixpk= 381, nxpk= 20, iat= -1, 947, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 949, 950,
&end
#
# 67 GLN HE2- 37 LEU HA 5.50 (# 382:20 Preassigned 3.15, 4.61 A)
&rst
ixpk= 382, nxpk= 20, iat= -1, 577, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1002,1003,
&end
#
# 37 LEU MDY 37 LEU HA 2.80 (# 383:20 Preassigned 2.20, 3.86 A)
&rst
ixpk= 383, nxpk= 20, iat= -1, 577, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 584, 585, 586, 588, 589, 590,
&end
#
# 37 LEU HN 37 LEU HA 5.50 (# 384:20 Preassigned 2.82, 2.89 A)
&rst
ixpk= 384, nxpk= 20, iat= 575, 577, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:385 37 LEU HA 4.00 (# 385:20 Single Ambig )
&rst
ixpk= 385, nxpk= 20, iat= -1, 577, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1= 582, 579, 580,
&end
#
# 37 LEU MDX 37 LEU HA 5.50 (# 386:20 Preassigned 2.20, 3.86 A)
&rst
ixpk= 386, nxpk= 20, iat= -1, 577, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 584, 585, 586, 588, 589, 590,
&end
#
# 0 AMB 20-2:387 57 GLN HA 2.80 (# 387:20 Single Ambig )
&rst
ixpk= 387, nxpk= 20, iat= -1, 842, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 840, 857,
&end
#
# 56 HIS HN 57 GLN HA 5.50 (# 388:20 Preassigned 4.20, 4.67 A)
&rst
ixpk= 388, nxpk= 20, iat= 823, 842, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:389 57 GLN HA 2.80 (# 389:20 Single Ambig )
&rst
ixpk= 389, nxpk= 20, iat= -1, 842, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 844, 845, 847, 848,
&end
#
# 86 HIS HB+ 86 HIS HA 4.00 (# 390:20 Preassigned 2.38, 2.74 A)
&rst
ixpk= 390, nxpk= 20, iat= -1,1337, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1339,1340,
&end
#
# 0 AMB 20-2:391 86 HIS HA 5.50 (# 391:20 Single Ambig )
&rst
ixpk= 391, nxpk= 20, iat= -1,1337, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 584, 585, 586, 588, 589, 590,1419,1420,1421,1423,
1424,1425,
&end
#
# 59 SER HN 59 SER HA 5.50 (# 392:20 Preassigned 2.33, 2.78 A)
&rst
ixpk= 392, nxpk= 20, iat= 876, 878, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 61 GLU HN 59 SER HA 5.50 (# 393:20 Preassigned 3.39, 4.26 A)
&rst
ixpk= 393, nxpk= 20, iat= 906, 878, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 60 LEU HN 59 SER HA 4.00 (# 394:20 Preassigned 2.11, 2.36 A)
&rst
ixpk= 394, nxpk= 20, iat= 887, 878, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 0 AMB 20-2:395 59 SER HA 4.00 (# 395:20 Single Ambig )
&rst
ixpk= 395, nxpk= 20, iat= -1, 878, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1= 880, 881, 880, 881,
&end
#
# 86 HIS HN 86 HIS HA 5.50 (# 396:20 Preassigned 2.95, 2.97 A)
&rst
ixpk= 396, nxpk= 20, iat=1335,1337, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 37 LEU MDX 86 HIS HA 5.50 (# 397:20 Preassigned 2.25, 4.08 A)
&rst
ixpk= 397, nxpk= 20, iat= -1,1337, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 584, 585, 586, 588, 589, 590,
&end
#
# 86 HIS HD1 86 HIS HA 4.00 (# 398:20 Preassigned 2.54, 2.88 A)
&rst
ixpk= 398, nxpk= 20, iat=1343,1337, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 86 HIS HB- 86 HIS HA 5.50 (# 399:20 Preassigned 2.38, 2.74 A)
&rst
ixpk= 399, nxpk= 20, iat= -1,1337, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1339,1340,
&end
#
# 90 LEU HB- 86 HIS HA 6.00 (# 400:20 Preassigned 3.61, 4.60 A)
&rst
ixpk= 400, nxpk= 20, iat= -1,1337, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1414,1415,
&end
#
# 90 LEU MDY 86 HIS HA 5.50 (# 401:20 Preassigned 2.84, 6.20 A)
&rst
ixpk= 401, nxpk= 20, iat= -1,1337, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1419,1420,1421,1423,1424,1425,
&end
#
# 89 ARG HN 86 HIS HA 5.50 (# 402:20 Preassigned 2.90, 3.02 A)
&rst
ixpk= 402, nxpk= 20, iat=1386,1337, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 21 ARG HN 21 ARG HA 5.50 (# 403:20 Preassigned 2.85, 2.88 A)
&rst
ixpk= 403, nxpk= 20, iat= 305, 307, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 112 GLU HG+ 112 GLU HA 5.50 (# 404:20 Preassigned 2.55, 3.63 A)
&rst
ixpk= 404, nxpk= 20, iat= -1,1755, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1760,1761,
&end
#
# 29 GLU HB+ 29 GLU HA 4.00 (# 405:20 Preassigned 2.30, 2.60 A)
&rst
ixpk= 405, nxpk= 20, iat= -1, 462, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 464, 465,
&end
#
# 30 LEU HN 29 GLU HA 5.50 (# 407:20 Preassigned 2.58, 3.28 A)
&rst
ixpk= 407, nxpk= 20, iat= 475, 462, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 29 GLU HG+ 29 GLU HA 4.00 (# 408:20 Preassigned 2.43, 3.50 A)
&rst
ixpk= 408, nxpk= 20, iat= -1, 462, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 467, 468,
&end
#
# 29 GLU HB- 29 GLU HA 4.00 (# 409:20 Preassigned 2.30, 2.60 A)
&rst
ixpk= 409, nxpk= 20, iat= -1, 462, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 464, 465,
&end
#
# 24 GLN HB- 21 ARG HA 4.00 (# 413:20 Preassigned 2.25, 2.96 A)
&rst
ixpk= 413, nxpk= 20, iat= -1, 307, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 371, 372,
&end
#
# 21 ARG HN 21 ARG HA 5.50 (# 414:20 Preassigned 2.85, 2.88 A)
&rst
ixpk= 414, nxpk= 20, iat= 305, 307, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 21 ARG HD+ 21 ARG HA 5.50 (# 415:20 Preassigned 2.12, 3.80 A)
&rst
ixpk= 415, nxpk= 20, iat= -1, 307, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 315, 316,
&end
#
# 106 HIS HA 110 GLU HA 5.50 (# 416:20 Preassigned 2.04, 2.72 A)
&rst
ixpk= 416, nxpk= 20, iat=1662,1729, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 110 GLU HN 110 GLU HA 5.50 (# 417:20 Preassigned 2.17, 2.21 A)
&rst
ixpk= 417, nxpk= 20, iat=1727,1729, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 111 CYS HN 110 GLU HA 4.00 (# 418:20 Preassigned 2.53, 2.83 A)
&rst
ixpk= 418, nxpk= 20, iat=1742,1729, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 0 AMB 20-2:419 110 GLU HA 4.00 (# 419:20 Single Ambig )
&rst
ixpk= 419, nxpk= 20, iat= -1,1729, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=1731,1732,1731,1732,
&end
#
# 103 LEU MDX 110 GLU HA 5.50 (# 420:20 Preassigned 2.33, 5.33 A)
&rst
ixpk= 420, nxpk= 20, iat= -1,1729, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1623,1624,1625,1627,1628,1629,
&end
#
# 110 GLU HG+ 110 GLU HA 5.50 (# 421:20 Preassigned 2.25, 2.87 A)
&rst
ixpk= 421, nxpk= 20, iat= -1,1729, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1734,1735,
&end
#
# 110 GLU HG- 110 GLU HA 4.00 (# 422:20 Preassigned 2.25, 2.87 A)
&rst
ixpk= 422, nxpk= 20, iat= -1,1729, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1734,1735,
&end
#
# 112 GLU HN 112 GLU HA 5.50 (# 423:20 Preassigned 2.83, 2.90 A)
&rst
ixpk= 423, nxpk= 20, iat=1753,1755, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 112 GLU HB- 112 GLU HA 4.00 (# 424:20 Preassigned 2.35, 2.52 A)
&rst
ixpk= 424, nxpk= 20, iat= -1,1755, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1757,1758,
&end
#
# 113 ILE HN 112 GLU HA 5.50 (# 425:20 Preassigned 2.25, 2.31 A)
&rst
ixpk= 425, nxpk= 20, iat=1768,1755, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 112 GLU HB+ 112 GLU HA 5.50 (# 426:20 Preassigned 2.35, 2.52 A)
&rst
ixpk= 426, nxpk= 20, iat= -1,1755, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1757,1758,
&end
#
# 0 AMB 20-2:427 86 HIS HA 5.50 (# 427:20 Single Ambig )
&rst
ixpk= 427, nxpk= 20, iat= -1,1337, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1356,1378,1379,
&end
#
# 0 AMB 20-2:428 0 AMB 20-1:428 5.50 (# 428:20 Double Ambig )
&rst
ixpk= 428, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 11, 12,2299,2300,
igr2= 6,2294,
&end
#
# 107 TRP HN 107 TRP HA 5.50 (# 429:20 Preassigned 2.82, 2.92 A)
&rst
ixpk= 429, nxpk= 20, iat=1677,1679, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 107 TRP HB+ 107 TRP HA 4.00 (# 430:20 Preassigned 2.31, 2.72 A)
&rst
ixpk= 430, nxpk= 20, iat= -1,1679, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1681,1682,
&end
#
# 3 ASN HN 2 PHE HA 4.00 (# 431:20 Preassigned 2.16, 2.65 A)
&rst
ixpk= 431, nxpk= 20, iat= 41, 23, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 2 PHE HN 2 PHE HA 5.50 (# 432:20 Preassigned 2.68, 2.82 A)
&rst
ixpk= 432, nxpk= 20, iat= 21, 23, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 2 PHE HD 2 PHE HA 5.50 (# 433:20 Preassigned 2.50, 3.67 A)
&rst
ixpk= 433, nxpk= 20, iat= -1, 23, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 29, 37,
&end
#
# 43 LYS HG+ 43 LYS HA 5.50 (# 434:20 Preassigned 2.33, 2.89 A)
&rst
ixpk= 434, nxpk= 20, iat= -1, 655, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 660, 661,
&end
#
# 44 GLY HN 43 LYS HA 4.00 (# 435:20 Preassigned 2.25, 2.54 A)
&rst
ixpk= 435, nxpk= 20, iat= 675, 655, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 43 LYS HN 43 LYS HA 5.50 (# 436:20 Preassigned 2.84, 2.88 A)
&rst
ixpk= 436, nxpk= 20, iat= 653, 655, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 43 LYS HG- 43 LYS HA 4.00 (# 437:20 Preassigned 2.33, 2.89 A)
&rst
ixpk= 437, nxpk= 20, iat= -1, 655, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 660, 661,
&end
#
# 43 LYS HD- 43 LYS HA 4.00 (# 438:20 Preassigned 2.33, 4.19 A)
&rst
ixpk= 438, nxpk= 20, iat= -1, 655, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 663, 664,
&end
#
# 1 MET HG+ 1 MET HA 5.50 (# 439:20 Preassigned 2.33, 3.30 A)
&rst
ixpk= 439, nxpk= 20, iat= -1, 6, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 11, 12,
&end
#
# 2 PHE HN 1 MET HA 2.80 (# 440:20 Preassigned 2.12, 2.31 A)
&rst
ixpk= 440, nxpk= 20, iat= 21, 6, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 1 MET HB+ 1 MET HA 4.00 (# 441:20 Preassigned 2.30, 2.70 A)
&rst
ixpk= 441, nxpk= 20, iat= -1, 6, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 8, 9,
&end
#
# 138 TRP HB+ 135 ALA HA 4.00 (# 442:20 Preassigned 2.54, 3.52 A)
&rst
ixpk= 442, nxpk= 20, iat= -1,2139, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=2192,2193,
&end
#
# 46 ASP HB- 49 ALA HA 5.50 (# 443:20 Preassigned 4.55, 5.65 A)
&rst
ixpk= 443, nxpk= 20, iat= -1, 734, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 696, 697,
&end
#
# 108 ASP HN 107 TRP HA 4.00 (# 444:20 Preassigned 2.98, 3.26 A)
&rst
ixpk= 444, nxpk= 20, iat=1701,1679, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 77 ASP HN 77 ASP HA 5.50 (# 447:20 Preassigned 2.95, 2.99 A)
&rst
ixpk= 447, nxpk= 20, iat=1174,1176, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 78 LEU HN 0 AMB 20-1:448 5.50 (# 448:20 Single Ambig )
&rst
ixpk= 448, nxpk= 20, iat=1186, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1176, 23,
&end
#
# 77 ASP HB+ 77 ASP HA 4.00 (# 449:20 Preassigned 2.42, 2.76 A)
&rst
ixpk= 449, nxpk= 20, iat= -1,1176, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1178,1179,
&end
#
# 2 PHE HB+ 2 PHE HA 5.50 (# 450:20 Preassigned 2.31, 2.69 A)
&rst
ixpk= 450, nxpk= 20, iat= -1, 23, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 25, 26,
&end
#
# 146 GLN HN 146 GLN HA 4.00 (# 451:20 Preassigned 2.20, 2.72 A)
&rst
ixpk= 451, nxpk= 20, iat=2307,2309, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 147 VAL HN 146 GLN HA 2.80 (# 452:20 Preassigned 2.26, 2.40 A)
&rst
ixpk= 452, nxpk= 20, iat=2324,2309, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 20-2:453 146 GLN HA 4.00 (# 453:20 Single Ambig )
&rst
ixpk= 453, nxpk= 20, iat= -1,2309, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=2314,2315,2314,2315,
&end
#
# 146 GLN HB+ 146 GLN HA 2.80 (# 454:20 Preassigned 2.35, 2.72 A)
&rst
ixpk= 454, nxpk= 20, iat= -1,2309, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2311,2312,
&end
#
# 146 GLN HB- 146 GLN HA 4.00 (# 455:20 Preassigned 2.35, 2.72 A)
&rst
ixpk= 455, nxpk= 20, iat= -1,2309, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=2311,2312,
&end
#
# 128 TYR HN 125 ALA HA 4.00 (# 456:20 Preassigned 3.22, 3.40 A)
&rst
ixpk= 456, nxpk= 20, iat=2014,1980, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 138 TRP HN 135 ALA HA 5.50 (# 457:20 Preassigned 3.22, 3.33 A)
&rst
ixpk= 457, nxpk= 20, iat=2188,2139, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:458 0 AMB 20-1:458 4.00 (# 458:20 Double Ambig )
&rst
ixpk= 458, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.79, r4= 7.54,
igr1= 778, 779, 780, 782, 783, 784, 357, 358, 359, 361,
362, 363,
igr2= 734,2139,
&end
#
# 0 AMB 20-2:459 0 AMB 20-1:459 5.50 (# 459:20 Double Ambig )
&rst
ixpk= 459, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 724, 725, 726, 284, 285, 286,
igr2= 734,2139,
&end
#
# 104 PHE HZ 135 ALA HA 4.00 (# 460:20 Preassigned 2.58, 3.98 A)
&rst
ixpk= 460, nxpk= 20, iat=1645,2139, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 54 ALA HN 53 ALA HA 5.50 (# 461:20 Preassigned 3.58, 3.61 A)
&rst
ixpk= 461, nxpk= 20, iat= 798, 790, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 53 ALA HN 53 ALA HA 5.50 (# 462:20 Preassigned 2.85, 2.87 A)
&rst
ixpk= 462, nxpk= 20, iat= 788, 790, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 128 TYR HE 53 ALA HA 4.00 (# 463:20 Preassigned 2.27, 4.02 A)
&rst
ixpk= 463, nxpk= 20, iat= -1, 790, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=2024,2029,
&end
#
# 0 AMB 20-2:464 53 ALA HA 5.50 (# 464:20 Single Ambig )
&rst
ixpk= 464, nxpk= 20, iat= -1, 790, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 866, 867, 868, 870, 871, 872, 778, 779, 780, 782,
783, 784,
&end
#
# 56 HIS HD2 53 ALA HA 5.50 (# 465:20 Preassigned 2.30, 3.95 A)
&rst
ixpk= 465, nxpk= 20, iat= 836, 790, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 53 ALA MB 53 ALA HA 2.80 (# 466:20 Preassigned 2.41, 2.66 A)
&rst
ixpk= 466, nxpk= 20, iat= -1, 790, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 792, 793, 794,
&end
#
# 147 VAL MGY 146 GLN HA 2.80 (# 471:20 Preassigned 2.95, 4.51 A)
&rst
ixpk= 471, nxpk= 20, iat= -1,2309, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=2330,2331,2332,2334,2335,2336,
&end
#
# 125 ALA HN 125 ALA HA 4.00 (# 472:20 Preassigned 2.83, 2.85 A)
&rst
ixpk= 472, nxpk= 20, iat=1978,1980, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 128 TYR HB+ 125 ALA HA 5.50 (# 473:20 Preassigned 2.24, 2.80 A)
&rst
ixpk= 473, nxpk= 20, iat= -1,1980, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2018,2019,
&end
#
# 128 TYR HB- 125 ALA HA 5.50 (# 474:20 Preassigned 2.24, 2.80 A)
&rst
ixpk= 474, nxpk= 20, iat= -1,1980, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2018,2019,
&end
#
# 52 VAL MGX 125 ALA HA 2.80 (# 475:20 Preassigned 2.22, 3.99 A)
&rst
ixpk= 475, nxpk= 20, iat= -1,1980, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 778, 779, 780, 782, 783, 784,
&end
#
# 52 VAL MGY 125 ALA HA 4.00 (# 476:20 Preassigned 2.22, 3.99 A)
&rst
ixpk= 476, nxpk= 20, iat= -1,1980, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1= 778, 779, 780, 782, 783, 784,
&end
#
# 135 ALA HN 135 ALA HA 5.50 (# 477:20 Preassigned 2.86, 2.88 A)
&rst
ixpk= 477, nxpk= 20, iat=2137,2139, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:479 0 AMB 20-1:479 4.00 (# 479:20 Double Ambig )
&rst
ixpk= 479, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.79, r4= 7.54,
igr1= 778, 779, 780, 782, 783, 784, 357, 358, 359, 361,
362, 363,
igr2= 734,2139,
&end
#
# 0 AMB 20-2:480 0 AMB 20-1:480 2.80 (# 480:20 Double Ambig )
&rst
ixpk= 480, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 736, 737, 738,2141,2142,2143,
igr2= 734,2139,
&end
#
# 143 ASN HN 142 LEU HA 5.50 (# 481:20 Preassigned 3.56, 3.62 A)
&rst
ixpk= 481, nxpk= 20, iat=2268,2251, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 142 LEU HG 142 LEU HA 4.00 (# 482:20 Preassigned 2.83, 2.97 A)
&rst
ixpk= 482, nxpk= 20, iat=2256,2251, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 142 LEU HB+ 142 LEU HA 4.00 (# 483:20 Preassigned 2.51, 2.79 A)
&rst
ixpk= 483, nxpk= 20, iat= -1,2251, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=2253,2254,
&end
#
# 142 LEU MDY 142 LEU HA 4.00 (# 484:20 Preassigned 2.16, 3.85 A)
&rst
ixpk= 484, nxpk= 20, iat= -1,2251, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1=2258,2259,2260,2262,2263,2264,
&end
#
# 0 AMB 20-2:486 142 LEU HA 4.00 (# 486:20 Single Ambig )
&rst
ixpk= 486, nxpk= 20, iat= -1,2251, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=2249,2282,
&end
#
# 142 LEU MDX 142 LEU HA 5.50 (# 487:20 Preassigned 2.16, 3.85 A)
&rst
ixpk= 487, nxpk= 20, iat= -1,2251, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2258,2259,2260,2262,2263,2264,
&end
#
# 129 THR MG2 126 ALA HA 5.50 (# 489:20 Preassigned 4.58, 5.37 A)
&rst
ixpk= 489, nxpk= 20, iat= -1,1990, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=2041,2042,2043,
&end
#
# 0 AMB 20-2:490 0 AMB 20-1:490 2.80 (# 490:20 Double Ambig )
&rst
ixpk= 490, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1982,1983,1984,1992,1993,1994,
igr2=1980,1990,
&end
#
# 20 GLU HN 19 ALA HA 5.50 (# 491:20 Preassigned 3.62, 3.65 A)
&rst
ixpk= 491, nxpk= 20, iat= 290, 282, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 131 LEU HB+ 19 ALA HA 5.50 (# 492:20 Preassigned 3.20, 4.75 A)
&rst
ixpk= 492, nxpk= 20, iat= -1, 282, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2072,2073,
&end
#
# 0 AMB 20-2:493 19 ALA HA 5.50 (# 493:20 Single Ambig )
&rst
ixpk= 493, nxpk= 20, iat= -1, 282, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2077,2078,2079,2081,2082,2083,2077,2078,2079,2081,
2082,2083,
&end
#
# 22 LEU HN 19 ALA HA 5.50 (# 494:20 Preassigned 3.37, 3.63 A)
&rst
ixpk= 494, nxpk= 20, iat= 329, 282, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 19 ALA HN 19 ALA HA 5.50 (# 495:20 Preassigned 2.80, 2.84 A)
&rst
ixpk= 495, nxpk= 20, iat= 280, 282, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 104 PHE HZ 19 ALA HA 5.50 (# 496:20 Preassigned 3.40, 4.07 A)
&rst
ixpk= 496, nxpk= 20, iat=1645, 282, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 22 LEU MDX 19 ALA HA 5.50 (# 497:20 Preassigned 2.58, 5.18 A)
&rst
ixpk= 497, nxpk= 20, iat= -1, 282, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 338, 339, 340, 342, 343, 344,
&end
#
# 22 LEU HB+ 19 ALA HA 4.00 (# 498:20 Preassigned 2.52, 3.61 A)
&rst
ixpk= 498, nxpk= 20, iat= -1, 282, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 333, 334,
&end
#
# 22 LEU HB- 19 ALA HA 5.50 (# 499:20 Preassigned 2.52, 3.61 A)
&rst
ixpk= 499, nxpk= 20, iat= -1, 282, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 333, 334,
&end
#
# 19 ALA MB 19 ALA HA 2.80 (# 500:20 Preassigned 2.34, 2.66 A)
&rst
ixpk= 500, nxpk= 20, iat= -1, 282, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 284, 285, 286,
&end
#
# 7 VAL MGX 19 ALA HA 5.50 (# 501:20 Preassigned 4.42, 5.85 A)
&rst
ixpk= 501, nxpk= 20, iat= -1, 282, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 113, 114, 115, 117, 118, 119,
&end
#
# 22 LEU MDY 19 ALA HA 4.00 (# 502:20 Preassigned 2.58, 5.18 A)
&rst
ixpk= 502, nxpk= 20, iat= -1, 282, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1= 338, 339, 340, 342, 343, 344,
&end
#
# 135 ALA MB 19 ALA HA 5.50 (# 503:20 Preassigned 2.58, 3.89 A)
&rst
ixpk= 503, nxpk= 20, iat= -1, 282, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=2141,2142,2143,
&end
#
# 57 GLN HN 56 HIS HA 4.00 (# 504:20 Preassigned 3.00, 3.15 A)
&rst
ixpk= 504, nxpk= 20, iat= 840, 825, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 0 AMB 20-2:506 141 ALA HA 5.50 (# 506:20 Single Ambig )
&rst
ixpk= 506, nxpk= 20, iat= -1,2241, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2282,2249,
&end
#
# 144 ALA MB 141 ALA HA 5.50 (# 507:20 Preassigned 2.43, 4.28 A)
&rst
ixpk= 507, nxpk= 20, iat= -1,2241, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=2286,2287,2288,
&end
#
# 66 ARG HN 66 ARG HA 5.50 (# 508:20 Preassigned 2.85, 2.90 A)
&rst
ixpk= 508, nxpk= 20, iat= 966, 968, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 67 GLN HN 66 ARG HA 4.00 (# 509:20 Preassigned 2.22, 2.29 A)
&rst
ixpk= 509, nxpk= 20, iat= 990, 968, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 66 ARG HB- 66 ARG HA 5.50 (# 510:20 Preassigned 2.29, 2.48 A)
&rst
ixpk= 510, nxpk= 20, iat= -1, 968, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 970, 971,
&end
#
# 41 VAL MGY 66 ARG HA 5.50 (# 511:20 Preassigned 2.21, 3.88 A)
&rst
ixpk= 511, nxpk= 20, iat= -1, 968, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 636, 637, 638, 640, 641, 642,
&end
#
# 66 ARG HB+ 66 ARG HA 4.00 (# 512:20 Preassigned 2.29, 2.48 A)
&rst
ixpk= 512, nxpk= 20, iat= -1, 968, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 970, 971,
&end
#
# 66 ARG HB- 66 ARG HA 5.50 (# 513:20 Preassigned 2.29, 2.48 A)
&rst
ixpk= 513, nxpk= 20, iat= -1, 968, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 970, 971,
&end
#
# 66 ARG HG- 66 ARG HA 5.50 (# 514:20 Preassigned 2.47, 3.84 A)
&rst
ixpk= 514, nxpk= 20, iat= -1, 968, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 973, 974,
&end
#
# 41 VAL MGX 66 ARG HA 4.00 (# 515:20 Preassigned 2.21, 3.88 A)
&rst
ixpk= 515, nxpk= 20, iat= -1, 968, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1= 636, 637, 638, 640, 641, 642,
&end
#
# 56 HIS HB+ 56 HIS HA 5.50 (# 516:20 Preassigned 2.44, 2.77 A)
&rst
ixpk= 516, nxpk= 20, iat= -1, 825, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 827, 828,
&end
#
# 56 HIS HN 56 HIS HA 5.50 (# 517:20 Preassigned 2.90, 2.94 A)
&rst
ixpk= 517, nxpk= 20, iat= 823, 825, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 56 HIS HB- 56 HIS HA 4.00 (# 518:20 Preassigned 2.44, 2.77 A)
&rst
ixpk= 518, nxpk= 20, iat= -1, 825, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 827, 828,
&end
#
# 104 PHE HN 103 LEU HA 4.00 (# 519:20 Preassigned 2.17, 2.24 A)
&rst
ixpk= 519, nxpk= 20, iat=1633,1616, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 81 THR HN 103 LEU HA 5.50 (# 520:20 Preassigned 2.31, 2.97 A)
&rst
ixpk= 520, nxpk= 20, iat=1243,1616, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 103 LEU MDX 103 LEU HA 5.50 (# 521:20 Preassigned 2.16, 3.96 A)
&rst
ixpk= 521, nxpk= 20, iat= -1,1616, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1623,1624,1625,1627,1628,1629,
&end
#
# 141 ALA HN 141 ALA HA 5.50 (# 523:20 Preassigned 2.84, 2.86 A)
&rst
ixpk= 523, nxpk= 20, iat=2239,2241, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 141 ALA MB 141 ALA HA 2.80 (# 526:20 Preassigned 2.41, 2.66 A)
&rst
ixpk= 526, nxpk= 20, iat= -1,2241, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=2243,2244,2245,
&end
#
# 83 GLU HN 83 GLU HA 7.00 (# 527:20 Preassigned 2.93, 2.96 A)
&rst
ixpk= 527, nxpk= 20, iat=1274,1276, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 84 LYS HN 83 GLU HA 5.50 (# 528:20 Preassigned 2.21, 2.27 A)
&rst
ixpk= 528, nxpk= 20, iat=1289,1276, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 79 ILE HN 78 LEU HA 4.00 (# 529:20 Preassigned 2.22, 2.27 A)
&rst
ixpk= 529, nxpk= 20, iat=1205,1188, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 78 LEU MDX 78 LEU HA 4.00 (# 530:20 Preassigned 2.13, 3.79 A)
&rst
ixpk= 530, nxpk= 20, iat= -1,1188, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1=1195,1196,1197,1199,1200,1201,
&end
#
# 78 LEU HN 78 LEU HA 5.50 (# 531:20 Preassigned 2.89, 2.92 A)
&rst
ixpk= 531, nxpk= 20, iat=1186,1188, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:532 0 AMB 20-1:532 2.80 (# 532:20 Double Ambig )
&rst
ixpk= 532, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1195,1196,1197,1199,1200,1201,1623,1624,1625,1627,
1628,1629,
igr2=1188,1276,
&end
#
# 103 LEU MDY 103 LEU HA 4.00 (# 533:20 Preassigned 2.16, 3.96 A)
&rst
ixpk= 533, nxpk= 20, iat= -1,1616, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1=1623,1624,1625,1627,1628,1629,
&end
#
# 102 MET HB- 102 MET HA 5.50 (# 535:20 Preassigned 2.24, 2.71 A)
&rst
ixpk= 535, nxpk= 20, iat= -1,1599, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1601,1602,
&end
#
# 83 GLU HB- 83 GLU HA 5.50 (# 537:20 Preassigned 2.35, 2.69 A)
&rst
ixpk= 537, nxpk= 20, iat= -1,1276, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1278,1279,
&end
#
# 112 GLU HG+ 83 GLU HA 5.50 (# 538:20 Preassigned 2.11, 4.11 A)
&rst
ixpk= 538, nxpk= 20, iat= -1,1276, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1760,1761,
&end
#
# 102 MET HN 102 MET HA 5.50 (# 539:20 Preassigned 2.85, 2.96 A)
&rst
ixpk= 539, nxpk= 20, iat=1597,1599, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:540 102 MET HA 5.50 (# 540:20 Single Ambig )
&rst
ixpk= 540, nxpk= 20, iat= -1,1599, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1365,1366,1367,1587,1588,1589,1591,1592,1593,
&end
#
# 30 LEU HN 30 LEU HA 5.50 (# 541:20 Preassigned 2.92, 2.98 A)
&rst
ixpk= 541, nxpk= 20, iat= 475, 477, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 31 LYS HN 30 LEU HA 4.00 (# 542:20 Preassigned 2.19, 2.34 A)
&rst
ixpk= 542, nxpk= 20, iat= 494, 477, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 67 GLN HB+ 67 GLN HA 5.50 (# 543:20 Preassigned 2.43, 2.78 A)
&rst
ixpk= 543, nxpk= 20, iat= -1, 992, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 994, 995,
&end
#
# 67 GLN HN 67 GLN HA 5.50 (# 544:20 Preassigned 2.87, 2.92 A)
&rst
ixpk= 544, nxpk= 20, iat= 990, 992, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 39 ALA HN 67 GLN HA 5.50 (# 545:20 Preassigned 2.72, 3.08 A)
&rst
ixpk= 545, nxpk= 20, iat= 601, 992, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 68 ILE HN 67 GLN HA 2.80 (# 546:20 Preassigned 2.16, 2.23 A)
&rst
ixpk= 546, nxpk= 20, iat=1007, 992, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 67 GLN HB- 67 GLN HA 5.50 (# 547:20 Preassigned 2.43, 2.78 A)
&rst
ixpk= 547, nxpk= 20, iat= -1, 992, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 994, 995,
&end
#
# 109 ASN HN 109 ASN HA 2.80 (# 548:20 Preassigned 2.22, 2.30 A)
&rst
ixpk= 548, nxpk= 20, iat=1713,1715, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 110 GLU HN 109 ASN HA 5.50 (# 549:20 Preassigned 2.43, 2.77 A)
&rst
ixpk= 549, nxpk= 20, iat=1727,1715, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 109 ASN HB+ 109 ASN HA 4.00 (# 550:20 Preassigned 2.43, 2.76 A)
&rst
ixpk= 550, nxpk= 20, iat= -1,1715, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1717,1718,
&end
#
# 108 ASP HA 109 ASN HA 5.50 (# 551:20 Preassigned 4.46, 4.70 A)
&rst
ixpk= 551, nxpk= 20, iat=1703,1715, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 109 ASN HB- 109 ASN HA 2.80 (# 552:20 Preassigned 2.43, 2.76 A)
&rst
ixpk= 552, nxpk= 20, iat= -1,1715, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1717,1718,
&end
#
# 103 LEU MDX 83 GLU HA 5.50 (# 553:20 Unique 2.37, 4.30 A)
&rst
ixpk= 553, nxpk= 20, iat= -1,1276, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1623,1624,1625,1627,1628,1629,
&end
#
# 102 MET HG- 102 MET HA 4.00 (# 554:20 Preassigned 2.30, 3.03 A)
&rst
ixpk= 554, nxpk= 20, iat= -1,1599, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1604,1605,
&end
#
# 103 LEU HN 102 MET HA 4.00 (# 555:20 Preassigned 2.19, 2.43 A)
&rst
ixpk= 555, nxpk= 20, iat=1614,1599, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 0 AMB 20-2:556 102 MET HA 5.50 (# 556:20 Single Ambig )
&rst
ixpk= 556, nxpk= 20, iat= -1,1599, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=1608,1609,1610,1618,1619,
&end
#
# 0 AMB 20-2:557 102 MET HA 4.00 (# 557:20 Single Ambig )
&rst
ixpk= 557, nxpk= 20, iat= -1,1599, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
igr1=1365,1366,1367,1587,1588,1589,1591,1592,1593,
&end
#
# 59 SER HN 58 LEU HA 2.80 (# 558:20 Preassigned 2.16, 2.44 A)
&rst
ixpk= 558, nxpk= 20, iat= 876, 859, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 58 LEU HB- 58 LEU HA 4.00 (# 559:20 Preassigned 2.40, 2.79 A)
&rst
ixpk= 559, nxpk= 20, iat= -1, 859, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 861, 862,
&end
#
# 0 AMB 20-2:560 0 AMB 20-1:560 2.80 (# 560:20 Double Ambig )
&rst
ixpk= 560, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 866, 867, 868, 870, 871, 872, 484, 485, 486, 488,
489, 490,
igr2= 859, 477,
&end
#
# 39 ALA MB 67 GLN HA 5.50 (# 563:20 Preassigned 2.25, 3.06 A)
&rst
ixpk= 563, nxpk= 20, iat= -1, 992, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 605, 606, 607,
&end
#
# 67 GLN HB- 67 GLN HA 5.50 (# 564:20 Preassigned 2.43, 2.78 A)
&rst
ixpk= 564, nxpk= 20, iat= -1, 992, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 994, 995,
&end
#
# 0 AMB 20-2:565 0 AMB 20-1:565 4.00 (# 565:20 Double Ambig )
&rst
ixpk= 565, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
igr1= 312, 313, 994, 995,
igr2= 889, 992,
&end
#
# 61 GLU HN 60 LEU HA 5.50 (# 566:20 Preassigned 2.20, 2.88 A)
&rst
ixpk= 566, nxpk= 20, iat= 906, 889, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 60 LEU HB+ 60 LEU HA 5.50 (# 568:20 Preassigned 2.32, 2.72 A)
&rst
ixpk= 568, nxpk= 20, iat= -1, 889, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 891, 892,
&end
#
# 60 LEU HB- 60 LEU HA 5.50 (# 569:20 Preassigned 2.32, 2.72 A)
&rst
ixpk= 569, nxpk= 20, iat= -1, 889, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 891, 892,
&end
#
# 60 LEU MDY 60 LEU HA 4.00 (# 570:20 Preassigned 2.22, 3.81 A)
&rst
ixpk= 570, nxpk= 20, iat= -1, 889, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1= 896, 897, 898, 900, 901, 902,
&end
#
# 58 LEU MDX 58 LEU HA 5.50 (# 571:20 Preassigned 2.19, 3.77 A)
&rst
ixpk= 571, nxpk= 20, iat= -1, 859, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 866, 867, 868, 870, 871, 872,
&end
#
# 58 LEU HN 58 LEU HA 5.50 (# 572:20 Preassigned 2.85, 2.95 A)
&rst
ixpk= 572, nxpk= 20, iat= 857, 859, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 58 LEU HB+ 58 LEU HA 5.50 (# 574:20 Preassigned 2.40, 2.79 A)
&rst
ixpk= 574, nxpk= 20, iat= -1, 859, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 861, 862,
&end
#
# 0 AMB 20-2:575 40 LEU HA 2.80 (# 575:20 Single Ambig )
&rst
ixpk= 575, nxpk= 20, iat= -1, 613, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 620, 621, 622, 624, 625, 626, 620, 621, 622, 624,
625, 626,
&end
#
# 40 LEU HN 40 LEU HA 5.50 (# 576:20 Preassigned 2.28, 2.92 A)
&rst
ixpk= 576, nxpk= 20, iat= 611, 613, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 41 VAL HN 40 LEU HA 2.80 (# 577:20 Preassigned 2.37, 2.56 A)
&rst
ixpk= 577, nxpk= 20, iat= 630, 613, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 40 LEU HB+ 40 LEU HA 4.00 (# 578:20 Preassigned 2.42, 2.78 A)
&rst
ixpk= 578, nxpk= 20, iat= -1, 613, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 615, 616,
&end
#
# 58 LEU MDX 58 LEU HA 5.50 (# 579:20 Preassigned 2.19, 3.77 A)
&rst
ixpk= 579, nxpk= 20, iat= -1, 859, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 866, 867, 868, 870, 871, 872,
&end
#
# 75 ASN HD2+ 75 ASN HA 4.00 (# 580:20 Preassigned 2.65, 4.09 A)
&rst
ixpk= 580, nxpk= 20, iat= -1,1141, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1148,1149,
&end
#
# 75 ASN HN 75 ASN HA 4.00 (# 581:20 Preassigned 2.83, 2.86 A)
&rst
ixpk= 581, nxpk= 20, iat=1139,1141, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 0 AMB 20-2:582 75 ASN HA 2.80 (# 582:20 Single Ambig )
&rst
ixpk= 582, nxpk= 20, iat= -1,1141, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1143,1144,1143,1144,
&end
#
# 40 LEU HG 40 LEU HA 4.00 (# 583:20 Preassigned 2.46, 2.98 A)
&rst
ixpk= 583, nxpk= 20, iat= 618, 613, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 145 GLU HN 144 ALA HA 2.80 (# 585:20 Unique 2.14, 2.90 A)
&rst
ixpk= 585, nxpk= 20, iat=2292,2284, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 144 ALA HN 144 ALA HA 4.00 (# 586:20 Preassigned 2.10, 2.85 A)
&rst
ixpk= 586, nxpk= 20, iat=2282,2284, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 144 ALA MB 144 ALA HA 2.80 (# 587:20 Preassigned 2.38, 2.67 A)
&rst
ixpk= 587, nxpk= 20, iat= -1,2284, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=2286,2287,2288,
&end
#
# 65 ALA MB 65 ALA HA 4.00 (# 588:20 Preassigned 2.42, 2.66 A)
&rst
ixpk= 588, nxpk= 20, iat= -1, 958, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1= 960, 961, 962,
&end
#
# 66 ARG HN 65 ALA HA 4.00 (# 589:20 Preassigned 2.09, 2.19 A)
&rst
ixpk= 589, nxpk= 20, iat= 966, 958, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 65 ALA HN 65 ALA HA 5.50 (# 590:20 Preassigned 2.81, 2.89 A)
&rst
ixpk= 590, nxpk= 20, iat= 956, 958, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 39 ALA HN 39 ALA HA 5.50 (# 592:20 Preassigned 2.69, 2.78 A)
&rst
ixpk= 592, nxpk= 20, iat= 601, 603, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 65 ALA MB 39 ALA HA 6.00 (# 595:20 Preassigned 3.41, 4.83 A)
&rst
ixpk= 595, nxpk= 20, iat= -1, 603, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1= 960, 961, 962,
&end
#
# 39 ALA MB 39 ALA HA 4.00 (# 596:20 Preassigned 2.42, 2.66 A)
&rst
ixpk= 596, nxpk= 20, iat= -1, 603, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1= 605, 606, 607,
&end
#
# 0 AMB 20-2:597 39 ALA HA 5.50 (# 597:20 Single Ambig )
&rst
ixpk= 597, nxpk= 20, iat= -1, 603, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 620, 621, 622, 624, 625, 626, 620, 621, 622, 624,
625, 626,
&end
#
# 40 LEU HN 39 ALA HA 4.00 (# 598:20 Preassigned 2.15, 2.27 A)
&rst
ixpk= 598, nxpk= 20, iat= 611, 603, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 0 AMB 20-2:601 0 AMB 20-1:601 5.50 (# 601:20 Double Ambig )
&rst
ixpk= 601, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 522, 523, 524, 526, 527, 528, 605, 606, 607,
igr2= 90, 560,
&end
#
# 66 ARG HB+ 35 ALA HA 6.00 (# 602:20 Preassigned 2.67, 5.06 A)
&rst
ixpk= 602, nxpk= 20, iat= -1, 560, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 970, 971,
&end
#
# 6 LEU HB- 6 LEU HA 5.50 (# 603:20 Preassigned 2.46, 2.77 A)
&rst
ixpk= 603, nxpk= 20, iat= -1, 90, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 92, 93,
&end
#
# 63 HIS HD2 45 ALA HA 5.50 (# 604:20 Preassigned 2.37, 3.29 A)
&rst
ixpk= 604, nxpk= 20, iat= 941, 684, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 63 HIS HB- 45 ALA HA 5.50 (# 605:20 Preassigned 3.35, 4.77 A)
&rst
ixpk= 605, nxpk= 20, iat= -1, 684, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 932, 933,
&end
#
# 45 ALA MB 45 ALA HA 2.80 (# 608:20 Preassigned 2.43, 2.66 A)
&rst
ixpk= 608, nxpk= 20, iat= -1, 684, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 686, 687, 688,
&end
#
# 17 PRO HG- 45 ALA HA 5.50 (# 610:20 Preassigned 2.38, 3.90 A)
&rst
ixpk= 610, nxpk= 20, iat= -1, 684, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 256, 257,
&end
#
# 46 ASP HN 45 ALA HA 4.00 (# 612:20 Preassigned 2.22, 2.32 A)
&rst
ixpk= 612, nxpk= 20, iat= 692, 684, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 7 VAL HN 6 LEU HA 4.00 (# 613:20 Preassigned 2.26, 2.38 A)
&rst
ixpk= 613, nxpk= 20, iat= 107, 90, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 35 ALA HN 35 ALA HA 5.50 (# 614:20 Preassigned 2.69, 2.76 A)
&rst
ixpk= 614, nxpk= 20, iat= 558, 560, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 66 ARG HG- 35 ALA HA 5.50 (# 616:20 Preassigned 2.22, 3.61 A)
&rst
ixpk= 616, nxpk= 20, iat= -1, 560, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 973, 974,
&end
#
# 6 LEU HB- 6 LEU HA 5.50 (# 617:20 Preassigned 2.46, 2.77 A)
&rst
ixpk= 617, nxpk= 20, iat= -1, 90, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 92, 93,
&end
#
# 0 AMB 20-2:618 6 LEU HA 5.50 (# 618:20 Single Ambig )
&rst
ixpk= 618, nxpk= 20, iat= -1, 90, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 113, 114, 115, 117, 118, 119,1211,1212,1213,
&end
#
# 6 LEU MDX 6 LEU HA 5.50 (# 619:20 Preassigned 2.17, 3.88 A)
&rst
ixpk= 619, nxpk= 20, iat= -1, 90, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 97, 98, 99, 101, 102, 103,
&end
#
# 6 LEU HN 6 LEU HA 5.50 (# 620:20 Preassigned 2.95, 2.96 A)
&rst
ixpk= 620, nxpk= 20, iat= 88, 90, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 34 SER HA 0 AMB 20-1:621 5.50 (# 621:20 Single Ambig )
&rst
ixpk= 621, nxpk= 20, iat= 549, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 90, 560,
&end
#
# 35 ALA MB 35 ALA HA 2.80 (# 622:20 Preassigned 2.44, 2.72 A)
&rst
ixpk= 622, nxpk= 20, iat= -1, 560, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 562, 563, 564,
&end
#
# 6 LEU HG 6 LEU HA 4.00 (# 623:20 Preassigned 2.65, 3.08 A)
&rst
ixpk= 623, nxpk= 20, iat= 95, 90, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 6 LEU MDY 6 LEU HA 2.80 (# 624:20 Preassigned 2.17, 3.88 A)
&rst
ixpk= 624, nxpk= 20, iat= -1, 90, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 97, 98, 99, 101, 102, 103,
&end
#
# 6 LEU HB+ 6 LEU HA 5.50 (# 625:20 Preassigned 2.46, 2.77 A)
&rst
ixpk= 625, nxpk= 20, iat= -1, 90, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 92, 93,
&end
#
# 46 ASP HB- 45 ALA HA 5.50 (# 626:20 Preassigned 4.32, 4.67 A)
&rst
ixpk= 626, nxpk= 20, iat= -1, 684, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 696, 697,
&end
#
# 47 PRO HB+ 47 PRO HD+ 5.50 (# 628:20 Preassigned 2.84, 3.68 A)
&rst
ixpk= 628, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 711, 712,
igr2= 705, 706,
&end
#
# 47 PRO HG+ 47 PRO HD+ 5.50 (# 629:20 Preassigned 2.33, 2.61 A)
&rst
ixpk= 629, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 708, 709,
igr2= 705, 706,
&end
#
# 47 PRO HG- 47 PRO HD+ 4.00 (# 631:20 Preassigned 2.33, 2.61 A)
&rst
ixpk= 631, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1= 708, 709,
igr2= 705, 706,
&end
#
# 47 PRO HB- 47 PRO HD+ 5.50 (# 632:20 Preassigned 2.84, 3.68 A)
&rst
ixpk= 632, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 711, 712,
igr2= 705, 706,
&end
#
# 47 PRO HB+ 47 PRO HD- 5.50 (# 634:20 Preassigned 2.84, 3.68 A)
&rst
ixpk= 634, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 711, 712,
igr2= 705, 706,
&end
#
# 47 PRO HB- 47 PRO HD- 5.50 (# 635:20 Preassigned 2.84, 3.68 A)
&rst
ixpk= 635, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 711, 712,
igr2= 705, 706,
&end
#
# 47 PRO HG+ 47 PRO HD- 5.50 (# 637:20 Preassigned 2.33, 2.61 A)
&rst
ixpk= 637, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 708, 709,
igr2= 705, 706,
&end
#
# 114 PRO HG- 114 PRO HD- 4.00 (# 643:20 Preassigned 2.33, 2.61 A)
&rst
ixpk= 643, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=1791,1792,
igr2=1788,1789,
&end
#
# 113 ILE HA 114 PRO HD- 4.00 (# 645:20 Preassigned 2.07, 2.38 A)
&rst
ixpk= 645, nxpk= 20, iat=1770, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2=1788,1789,
&end
#
# 113 ILE HA 114 PRO HD+ 4.00 (# 648:20 Preassigned 2.07, 2.38 A)
&rst
ixpk= 648, nxpk= 20, iat=1770, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2=1788,1789,
&end
#
# 114 PRO HG+ 114 PRO HD+ 5.50 (# 651:20 Preassigned 2.33, 2.61 A)
&rst
ixpk= 651, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1791,1792,
igr2=1788,1789,
&end
#
# 114 PRO HG- 114 PRO HD+ 4.00 (# 652:20 Preassigned 2.33, 2.61 A)
&rst
ixpk= 652, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=1791,1792,
igr2=1788,1789,
&end
#
# 27 HIS HA 28 PRO HD+ 4.00 (# 654:20 Preassigned 2.11, 2.54 A)
&rst
ixpk= 654, nxpk= 20, iat= 431, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2= 447, 448,
&end
#
# 28 PRO HB- 28 PRO HD+ 5.50 (# 655:20 Preassigned 2.82, 3.68 A)
&rst
ixpk= 655, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 453, 454,
igr2= 447, 448,
&end
#
# 27 HIS HN 28 PRO HD+ 5.50 (# 657:20 Preassigned 2.96, 3.79 A)
&rst
ixpk= 657, nxpk= 20, iat= 429, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 447, 448,
&end
#
# 27 HIS HN 28 PRO HD- 5.50 (# 658:20 Preassigned 2.96, 3.79 A)
&rst
ixpk= 658, nxpk= 20, iat= 429, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 447, 448,
&end
#
# 27 HIS HA 28 PRO HD- 4.00 (# 659:20 Preassigned 2.11, 2.54 A)
&rst
ixpk= 659, nxpk= 20, iat= 431, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2= 447, 448,
&end
#
# 28 PRO HB- 28 PRO HD- 5.50 (# 661:20 Preassigned 2.82, 3.68 A)
&rst
ixpk= 661, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 453, 454,
igr2= 447, 448,
&end
#
# 0 AMB 20-2:663 95 PRO HD- 5.50 (# 663:20 Single Ambig )
&rst
ixpk= 663, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1489,1490,1503,1504,
igr2=1483,1484,
&end
#
# 0 AMB 20-2:664 95 PRO HD- 2.80 (# 664:20 Single Ambig )
&rst
ixpk= 664, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1486,1487,1503,1504,
igr2=1483,1484,
&end
#
# 94 ALA MB 95 PRO HD- 5.50 (# 665:20 Preassigned 4.05, 4.89 A)
&rst
ixpk= 665, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1476,1477,1478,
igr2=1483,1484,
&end
#
# 94 ALA HA 95 PRO HD- 4.00 (# 666:20 Preassigned 2.16, 2.61 A)
&rst
ixpk= 666, nxpk= 20, iat=1474, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2=1483,1484,
&end
#
# 0 AMB 20-2:668 0 AMB 20-1:668 2.80 (# 668:20 Double Ambig )
&rst
ixpk= 668, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1486,1487,1503,1504,
igr2=1483,1484,1483,1484,
&end
#
# 94 ALA HN 95 PRO HD+ 5.50 (# 669:20 Preassigned 2.96, 3.69 A)
&rst
ixpk= 669, nxpk= 20, iat=1472, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1483,1484,
&end
#
# 94 ALA MB 95 PRO HD+ 5.50 (# 671:20 Preassigned 4.05, 4.89 A)
&rst
ixpk= 671, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1476,1477,1478,
igr2=1483,1484,
&end
#
# 0 AMB 20-2:672 0 AMB 20-1:672 5.50 (# 672:20 Double Ambig )
&rst
ixpk= 672, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1489,1490,1503,1504,
igr2=1483,1484,1483,1484,
&end
#
# 94 ALA HN 95 PRO HD- 5.50 (# 673:20 Preassigned 2.96, 3.69 A)
&rst
ixpk= 673, nxpk= 20, iat=1472, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1483,1484,
&end
#
# 17 PRO HG- 17 PRO HD+ 5.50 (# 674:20 Preassigned 2.23, 2.59 A)
&rst
ixpk= 674, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 256, 257,
igr2= 253, 254,
&end
#
# 17 PRO HG+ 17 PRO HD+ 5.50 (# 678:20 Preassigned 2.23, 2.59 A)
&rst
ixpk= 678, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 256, 257,
igr2= 253, 254,
&end
#
# 17 PRO HG+ 17 PRO HD+ 5.50 (# 679:20 Unique 2.23, 2.59 A)
&rst
ixpk= 679, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 256, 257,
igr2= 253, 254,
&end
#
# 17 PRO HG+ 17 PRO HD- 5.50 (# 683:20 Preassigned 2.23, 2.59 A)
&rst
ixpk= 683, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 256, 257,
igr2= 253, 254,
&end
#
# 17 PRO HG- 17 PRO HD- 5.50 (# 684:20 Preassigned 2.23, 2.59 A)
&rst
ixpk= 684, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 256, 257,
igr2= 253, 254,
&end
#
# 39 ALA HN 38 GLY HA+ 4.00 (# 685:20 Preassigned 2.46, 3.09 A)
&rst
ixpk= 685, nxpk= 20, iat= 601, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2= 596, 597,
&end
#
# 38 GLY HN 38 GLY HA+ 4.00 (# 687:20 Preassigned 2.46, 2.76 A)
&rst
ixpk= 687, nxpk= 20, iat= 594, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2= 596, 597,
&end
#
# 46 ASP HN 46 ASP HB+ 4.00 (# 689:20 Preassigned 2.41, 2.55 A)
&rst
ixpk= 689, nxpk= 20, iat= 692, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2= 696, 697,
&end
#
# 49 ALA MB 46 ASP HB+ 5.50 (# 692:20 Preassigned 2.20, 4.11 A)
&rst
ixpk= 692, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 736, 737, 738,
igr2= 696, 697,
&end
#
# 46 ASP HN 46 ASP HB- 5.50 (# 693:20 Preassigned 2.41, 2.55 A)
&rst
ixpk= 693, nxpk= 20, iat= 692, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 696, 697,
&end
#
# 49 ALA HN 46 ASP HB- 5.50 (# 694:20 Preassigned 2.38, 3.51 A)
&rst
ixpk= 694, nxpk= 20, iat= 732, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 696, 697,
&end
#
# 49 ALA MB 46 ASP HB- 5.50 (# 696:20 Preassigned 2.20, 4.11 A)
&rst
ixpk= 696, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 736, 737, 738,
igr2= 696, 697,
&end
#
# 0 AMB 20-2:698 0 AMB 20-1:698 4.00 (# 698:20 Double Ambig )
&rst
ixpk= 698, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.27, r4= 8.02,
igr1= 75, 76, 77,1195,1196,1197,1199,1200,1201,
igr2=1190,1191,1190,1191,
&end
#
# 5 ILE QD1 78 LEU HB+ 5.50 (# 699:20 Preassigned 2.28, 4.54 A)
&rst
ixpk= 699, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 82, 83, 84,
igr2=1190,1191,
&end
#
# 78 LEU MDX 78 LEU HB+ 4.00 (# 700:20 Preassigned 2.39, 3.37 A)
&rst
ixpk= 700, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1=1195,1196,1197,1199,1200,1201,
igr2=1190,1191,
&end
#
# 78 LEU HG 78 LEU HB+ 4.00 (# 701:20 Preassigned 2.33, 2.70 A)
&rst
ixpk= 701, nxpk= 20, iat=1193, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2=1190,1191,
&end
#
# 78 LEU HN 78 LEU HB+ 5.50 (# 702:20 Preassigned 2.73, 3.11 A)
&rst
ixpk= 702, nxpk= 20, iat=1186, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1190,1191,
&end
#
# 78 LEU HA 78 LEU HB+ 5.50 (# 703:20 Preassigned 2.44, 2.80 A)
&rst
ixpk= 703, nxpk= 20, iat=1188, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1190,1191,
&end
#
# 78 LEU MDX 78 LEU HB- 4.00 (# 704:20 Preassigned 2.39, 3.37 A)
&rst
ixpk= 704, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1=1195,1196,1197,1199,1200,1201,
igr2=1190,1191,
&end
#
# 78 LEU HA 78 LEU HB- 5.50 (# 705:20 Preassigned 2.44, 2.80 A)
&rst
ixpk= 705, nxpk= 20, iat=1188, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1190,1191,
&end
#
# 78 LEU HG 78 LEU HB- 5.50 (# 706:20 Preassigned 2.33, 2.70 A)
&rst
ixpk= 706, nxpk= 20, iat=1193, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1190,1191,
&end
#
# 0 AMB 20-2:707 78 LEU HB- 4.00 (# 707:20 Single Ambig )
&rst
ixpk= 707, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.48, r4= 7.23,
igr1= 75, 76, 77,1195,1196,1197,1199,1200,1201,
igr2=1190,1191,
&end
#
# 5 ILE QD1 78 LEU HB- 6.00 (# 709:20 Preassigned 2.28, 4.54 A)
&rst
ixpk= 709, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 82, 83, 84,
igr2=1190,1191,
&end
#
# 63 HIS HN 62 GLY HA- 5.50 (# 710:20 Preassigned 2.14, 3.09 A)
&rst
ixpk= 710, nxpk= 20, iat= 928, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 923, 924,
&end
#
# 62 GLY HN 62 GLY HA- 5.50 (# 711:20 Preassigned 2.27, 2.66 A)
&rst
ixpk= 711, nxpk= 20, iat= 921, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 923, 924,
&end
#
# 80 LEU HA 80 LEU HB+ 5.50 (# 713:20 Preassigned 2.38, 2.73 A)
&rst
ixpk= 713, nxpk= 20, iat=1226, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1228,1229,
&end
#
# 7 VAL MGY 80 LEU HB+ 5.50 (# 715:20 Preassigned 2.26, 4.55 A)
&rst
ixpk= 715, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 113, 114, 115, 117, 118, 119,
igr2=1228,1229,
&end
#
# 80 LEU MDX 80 LEU HB+ 4.00 (# 716:20 Preassigned 2.36, 3.42 A)
&rst
ixpk= 716, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1=1233,1234,1235,1237,1238,1239,
igr2=1228,1229,
&end
#
# 80 LEU HN 80 LEU HB+ 7.00 (# 717:20 Preassigned 2.25, 3.07 A)
&rst
ixpk= 717, nxpk= 20, iat=1224, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1228,1229,
&end
#
# 80 LEU MDY 80 LEU HB+ 5.50 (# 718:20 Preassigned 2.36, 3.42 A)
&rst
ixpk= 718, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1233,1234,1235,1237,1238,1239,
igr2=1228,1229,
&end
#
# 80 LEU MDX 80 LEU HB+ 4.00 (# 719:20 Preassigned 2.36, 3.42 A)
&rst
ixpk= 719, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1=1233,1234,1235,1237,1238,1239,
igr2=1228,1229,
&end
#
# 80 LEU MDY 80 LEU HB- 5.50 (# 720:20 Preassigned 2.36, 3.42 A)
&rst
ixpk= 720, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1233,1234,1235,1237,1238,1239,
igr2=1228,1229,
&end
#
# 80 LEU MDX 80 LEU HB- 5.50 (# 721:20 Preassigned 2.36, 3.42 A)
&rst
ixpk= 721, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1233,1234,1235,1237,1238,1239,
igr2=1228,1229,
&end
#
# 104 PHE HD 80 LEU HB- 5.50 (# 722:20 Preassigned 2.48, 4.51 A)
&rst
ixpk= 722, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1641,1649,
igr2=1228,1229,
&end
#
# 80 LEU HN 80 LEU HB- 5.50 (# 724:20 Preassigned 2.25, 3.07 A)
&rst
ixpk= 724, nxpk= 20, iat=1224, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1228,1229,
&end
#
# 105 GLY HN 105 GLY HA- 5.50 (# 726:20 Preassigned 2.26, 2.58 A)
&rst
ixpk= 726, nxpk= 20, iat=1653, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1655,1656,
&end
#
# 99 GLY HN 99 GLY HA+ 5.50 (# 728:20 Preassigned 2.27, 2.59 A)
&rst
ixpk= 728, nxpk= 20, iat=1552, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1554,1555,
&end
#
# 41 VAL MGX 42 GLY HA+ 5.50 (# 730:20 Preassigned 3.53, 5.74 A)
&rst
ixpk= 730, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 636, 637, 638, 640, 641, 642,
igr2= 648, 649,
&end
#
# 43 LYS HN 42 GLY HA+ 5.50 (# 731:20 Preassigned 2.98, 3.34 A)
&rst
ixpk= 731, nxpk= 20, iat= 653, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 648, 649,
&end
#
# 42 GLY HN 42 GLY HA+ 5.50 (# 732:20 Preassigned 2.28, 2.67 A)
&rst
ixpk= 732, nxpk= 20, iat= 646, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 648, 649,
&end
#
# 99 GLY HN 99 GLY HA- 4.00 (# 740:20 Preassigned 2.27, 2.59 A)
&rst
ixpk= 740, nxpk= 20, iat=1552, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2=1554,1555,
&end
#
# 43 LYS HN 42 GLY HA- 5.50 (# 742:20 Preassigned 2.98, 3.34 A)
&rst
ixpk= 742, nxpk= 20, iat= 653, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 648, 649,
&end
#
# 42 GLY HN 42 GLY HA- 4.00 (# 743:20 Preassigned 2.28, 2.67 A)
&rst
ixpk= 743, nxpk= 20, iat= 646, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2= 648, 649,
&end
#
# 41 VAL MGX 42 GLY HA- 5.50 (# 744:20 Preassigned 3.53, 5.74 A)
&rst
ixpk= 744, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 636, 637, 638, 640, 641, 642,
igr2= 648, 649,
&end
#
# 41 VAL HA 42 GLY HA- 5.50 (# 745:20 Preassigned 4.31, 4.41 A)
&rst
ixpk= 745, nxpk= 20, iat= 632, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 648, 649,
&end
#
# 25 ARG HG+ 25 ARG HD- 4.00 (# 746:20 Preassigned 2.30, 2.70 A)
&rst
ixpk= 746, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1= 391, 392,
igr2= 394, 395,
&end
#
# 25 ARG HG+ 25 ARG HD+ 4.00 (# 747:20 Preassigned 2.30, 2.70 A)
&rst
ixpk= 747, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1= 391, 392,
igr2= 394, 395,
&end
#
# 25 ARG HG- 25 ARG HD+ 4.00 (# 749:20 Preassigned 2.30, 2.70 A)
&rst
ixpk= 749, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1= 391, 392,
igr2= 394, 395,
&end
#
# 0 AMB 20-2:750 77 ASP HB- 5.50 (# 750:20 Single Ambig )
&rst
ixpk= 750, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 55, 41,
igr2=1178,1179,
&end
#
# 58 LEU MDY 58 LEU HB+ 5.50 (# 751:20 Preassigned 2.35, 3.38 A)
&rst
ixpk= 751, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 866, 867, 868, 870, 871, 872,
igr2= 861, 862,
&end
#
# 58 LEU HA 58 LEU HB+ 5.50 (# 752:20 Preassigned 2.40, 2.79 A)
&rst
ixpk= 752, nxpk= 20, iat= 859, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 861, 862,
&end
#
# 58 LEU MDX 58 LEU HB- 5.50 (# 753:20 Preassigned 2.35, 3.38 A)
&rst
ixpk= 753, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 866, 867, 868, 870, 871, 872,
igr2= 861, 862,
&end
#
# 58 LEU HN 58 LEU HB- 5.50 (# 755:20 Preassigned 2.19, 2.82 A)
&rst
ixpk= 755, nxpk= 20, iat= 857, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 861, 862,
&end
#
# 53 ALA MB 58 LEU HB- 5.50 (# 757:20 Preassigned 2.24, 4.51 A)
&rst
ixpk= 757, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 792, 793, 794,
igr2= 861, 862,
&end
#
# 35 ALA MB 66 ARG HD+ 5.50 (# 758:20 Preassigned 2.20, 5.07 A)
&rst
ixpk= 758, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 562, 563, 564,
igr2= 976, 977,
&end
#
# 25 ARG HG- 25 ARG HD- 4.00 (# 759:20 Preassigned 2.30, 2.70 A)
&rst
ixpk= 759, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1= 391, 392,
igr2= 394, 395,
&end
#
# 25 ARG HA 25 ARG HD- 5.50 (# 760:20 Preassigned 3.82, 4.59 A)
&rst
ixpk= 760, nxpk= 20, iat= 386, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 394, 395,
&end
#
# 22 LEU HB- 25 ARG HD- 5.50 (# 761:20 Preassigned 4.22, 6.47 A)
&rst
ixpk= 761, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 333, 334,
igr2= 394, 395,
&end
#
# 22 LEU MDX 25 ARG HD- 5.50 (# 762:20 Preassigned 2.36, 6.11 A)
&rst
ixpk= 762, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 338, 339, 340, 342, 343, 344,
igr2= 394, 395,
&end
#
# 36 GLY HN 36 GLY HA+ 5.50 (# 763:20 Preassigned 2.38, 2.76 A)
&rst
ixpk= 763, nxpk= 20, iat= 568, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 570, 571,
&end
#
# 58 LEU MDY 25 ARG HD- 5.50 (# 764:20 Preassigned 2.36, 5.51 A)
&rst
ixpk= 764, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 866, 867, 868, 870, 871, 872,
igr2= 394, 395,
&end
#
# 0 AMB 20-2:765 0 AMB 20-1:765 5.50 (# 765:20 Double Ambig )
&rst
ixpk= 765, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 605, 606, 607, 338, 339, 340, 342, 343, 344,
igr2= 570, 571, 394, 395,
&end
#
# 37 LEU HN 36 GLY HA+ 5.50 (# 766:20 Preassigned 2.14, 2.51 A)
&rst
ixpk= 766, nxpk= 20, iat= 575, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 570, 571,
&end
#
# 22 LEU MDX 25 ARG HD+ 5.50 (# 767:20 Preassigned 2.36, 6.11 A)
&rst
ixpk= 767, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 338, 339, 340, 342, 343, 344,
igr2= 394, 395,
&end
#
# 77 ASP HN 77 ASP HB- 5.50 (# 769:20 Preassigned 2.45, 2.80 A)
&rst
ixpk= 769, nxpk= 20, iat=1174, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1178,1179,
&end
#
# 78 LEU HN 77 ASP HB- 5.50 (# 772:20 Preassigned 3.07, 3.87 A)
&rst
ixpk= 772, nxpk= 20, iat=1186, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1178,1179,
&end
#
# 58 LEU HN 58 LEU HB+ 5.50 (# 773:20 Preassigned 2.19, 2.82 A)
&rst
ixpk= 773, nxpk= 20, iat= 857, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 861, 862,
&end
#
# 0 AMB 20-2:775 0 AMB 20-1:775 4.00 (# 775:20 Double Ambig )
&rst
ixpk= 775, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.63, r4= 8.38,
igr1= 866, 867, 868, 870, 871, 872, 357, 358, 359, 361,
362, 363,
igr2= 861, 862, 333, 334,
&end
#
# 58 LEU MDY 58 LEU HB+ 4.00 (# 776:20 Preassigned 2.35, 3.38 A)
&rst
ixpk= 776, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1= 866, 867, 868, 870, 871, 872,
igr2= 861, 862,
&end
#
# 53 ALA MB 58 LEU HB+ 5.50 (# 777:20 Preassigned 2.24, 4.51 A)
&rst
ixpk= 777, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 792, 793, 794,
igr2= 861, 862,
&end
#
# 37 LEU HA 37 LEU HB- 5.50 (# 778:20 Preassigned 2.44, 2.79 A)
&rst
ixpk= 778, nxpk= 20, iat= 577, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 579, 580,
&end
#
# 58 LEU HN 58 LEU HB- 5.50 (# 779:20 Preassigned 2.19, 2.82 A)
&rst
ixpk= 779, nxpk= 20, iat= 857, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 861, 862,
&end
#
# 53 ALA MB 58 LEU HB- 5.50 (# 780:20 Preassigned 2.24, 4.51 A)
&rst
ixpk= 780, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 792, 793, 794,
igr2= 861, 862,
&end
#
# 58 LEU MDY 58 LEU HB- 4.00 (# 781:20 Preassigned 2.35, 3.38 A)
&rst
ixpk= 781, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1= 866, 867, 868, 870, 871, 872,
igr2= 861, 862,
&end
#
# 58 LEU HA 58 LEU HB- 5.50 (# 782:20 Preassigned 2.40, 2.79 A)
&rst
ixpk= 782, nxpk= 20, iat= 859, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 861, 862,
&end
#
# 70 ARG HG- 70 ARG HD- 4.00 (# 790:20 Preassigned 2.34, 2.67 A)
&rst
ixpk= 790, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=1044,1045,
igr2=1047,1048,
&end
#
# 66 ARG HE 66 ARG HD+ 5.50 (# 791:20 Preassigned 2.25, 2.76 A)
&rst
ixpk= 791, nxpk= 20, iat= 979, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 976, 977,
&end
#
# 0 AMB 20-2:793 0 AMB 20-1:793 4.00 (# 793:20 Double Ambig )
&rst
ixpk= 793, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
igr1= 973, 974,1044,1045,
igr2= 976, 977,1047,1048,
&end
#
# 133 ARG HE 133 ARG HD- 5.50 (# 795:20 Preassigned 2.25, 2.70 A)
&rst
ixpk= 795, nxpk= 20, iat=2115, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2112,2113,
&end
#
# 0 AMB 20-2:797 0 AMB 20-1:797 5.50 (# 797:20 Double Ambig )
&rst
ixpk= 797, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=2058,2059,2060,2062,2063,2064, 605, 606, 607,
igr2=2112,2113, 976, 977,
&end
#
# 22 LEU HA 22 LEU HB+ 5.50 (# 800:20 Preassigned 2.55, 2.82 A)
&rst
ixpk= 800, nxpk= 20, iat= 331, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 333, 334,
&end
#
# 37 LEU MDY 37 LEU HB- 2.80 (# 802:20 Preassigned 2.31, 3.34 A)
&rst
ixpk= 802, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 584, 585, 586, 588, 589, 590,
igr2= 579, 580,
&end
#
# 37 LEU MDX 37 LEU HB- 4.00 (# 805:20 Preassigned 2.31, 3.34 A)
&rst
ixpk= 805, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1= 584, 585, 586, 588, 589, 590,
igr2= 579, 580,
&end
#
# 37 LEU HN 37 LEU HB+ 5.50 (# 807:20 Preassigned 2.14, 2.58 A)
&rst
ixpk= 807, nxpk= 20, iat= 575, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 579, 580,
&end
#
# 37 LEU MDY 37 LEU HB+ 5.50 (# 808:20 Preassigned 2.31, 3.34 A)
&rst
ixpk= 808, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 584, 585, 586, 588, 589, 590,
igr2= 579, 580,
&end
#
# 37 LEU MDX 37 LEU HB+ 5.50 (# 809:20 Preassigned 2.31, 3.34 A)
&rst
ixpk= 809, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 584, 585, 586, 588, 589, 590,
igr2= 579, 580,
&end
#
# 45 ALA HN 44 GLY HA+ 5.50 (# 813:20 Preassigned 2.39, 2.65 A)
&rst
ixpk= 813, nxpk= 20, iat= 682, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 677, 678,
&end
#
# 44 GLY HN 44 GLY HA+ 4.00 (# 814:20 Preassigned 2.33, 2.68 A)
&rst
ixpk= 814, nxpk= 20, iat= 675, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2= 677, 678,
&end
#
# 0 AMB 20-2:816 0 AMB 20-1:816 4.00 (# 816:20 Double Ambig )
&rst
ixpk= 816, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
igr1=1318,1319,2109,2110,
igr2=1321,1322,2112,2113,
&end
#
# 0 AMB 20-2:818 98 ARG HD- 2.80 (# 818:20 Single Ambig )
&rst
ixpk= 818, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1535,1536,1532,1533,
igr2=1538,1539,
&end
#
# 95 PRO HB+ 98 ARG HD- 4.00 (# 820:20 Preassigned 3.65, 5.14 A)
&rst
ixpk= 820, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=1489,1490,
igr2=1538,1539,
&end
#
# 98 ARG HG+ 98 ARG HD- 2.80 (# 821:20 Preassigned 2.35, 2.71 A)
&rst
ixpk= 821, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1535,1536,
igr2=1538,1539,
&end
#
# 133 ARG HG- 133 ARG HD+ 5.50 (# 822:20 Preassigned 2.35, 2.66 A)
&rst
ixpk= 822, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2109,2110,
igr2=2112,2113,
&end
#
# 133 ARG HE 133 ARG HD+ 5.50 (# 823:20 Preassigned 2.25, 2.70 A)
&rst
ixpk= 823, nxpk= 20, iat=2115, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2112,2113,
&end
#
# 133 ARG HG- 133 ARG HD+ 4.00 (# 824:20 Preassigned 2.35, 2.66 A)
&rst
ixpk= 824, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=2109,2110,
igr2=2112,2113,
&end
#
# 136 ARG HN 0 AMB 20-1:825 7.00 (# 825:20 Single Ambig )
&rst
ixpk= 825, nxpk= 20, iat=2147, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr2=2157,2158,2157,2158,
&end
#
# 117 TYR HD 0 AMB 20-1:826 5.50 (# 826:20 Single Ambig )
&rst
ixpk= 826, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1835,1844,
igr2=1858,1859,1858,1859,
&end
#
# 22 LEU HN 22 LEU HB+ 5.50 (# 827:20 Preassigned 2.20, 2.94 A)
&rst
ixpk= 827, nxpk= 20, iat= 329, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 333, 334,
&end
#
# 22 LEU MDY 22 LEU HB+ 5.50 (# 828:20 Preassigned 2.34, 3.30 A)
&rst
ixpk= 828, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 338, 339, 340, 342, 343, 344,
igr2= 333, 334,
&end
#
# 8 VAL MGX 37 LEU HB- 5.50 (# 830:20 Preassigned 2.44, 6.24 A)
&rst
ixpk= 830, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 129, 130, 131, 133, 134, 135,
igr2= 579, 580,
&end
#
# 37 LEU MDY 37 LEU HB+ 5.50 (# 833:20 Preassigned 2.31, 3.34 A)
&rst
ixpk= 833, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 584, 585, 586, 588, 589, 590,
igr2= 579, 580,
&end
#
# 22 LEU HA 22 LEU HB- 5.50 (# 834:20 Preassigned 2.55, 2.82 A)
&rst
ixpk= 834, nxpk= 20, iat= 331, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 333, 334,
&end
#
# 22 LEU HN 22 LEU HB- 5.50 (# 835:20 Preassigned 2.20, 2.94 A)
&rst
ixpk= 835, nxpk= 20, iat= 329, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 333, 334,
&end
#
# 135 ALA MB 22 LEU HB- 4.00 (# 837:20 Preassigned 2.30, 3.18 A)
&rst
ixpk= 837, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1=2141,2142,2143,
igr2= 333, 334,
&end
#
# 22 LEU MDY 22 LEU HB- 5.50 (# 838:20 Preassigned 2.34, 3.30 A)
&rst
ixpk= 838, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 338, 339, 340, 342, 343, 344,
igr2= 333, 334,
&end
#
# 63 HIS HD2 44 GLY HA+ 5.50 (# 839:20 Preassigned 2.45, 4.53 A)
&rst
ixpk= 839, nxpk= 20, iat= 941, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 677, 678,
&end
#
# 89 ARG HA 89 ARG HD- 5.50 (# 840:20 Preassigned 2.11, 3.70 A)
&rst
ixpk= 840, nxpk= 20, iat=1388, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1396,1397,
&end
#
# 89 ARG HG- 89 ARG HD- 5.50 (# 842:20 Preassigned 2.29, 2.68 A)
&rst
ixpk= 842, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1393,1394,
igr2=1396,1397,
&end
#
# 89 ARG HB+ 89 ARG HD- 4.00 (# 843:20 Preassigned 2.40, 3.33 A)
&rst
ixpk= 843, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=1390,1391,
igr2=1396,1397,
&end
#
# 132 GLU HG- 136 ARG HD+ 5.50 (# 848:20 Preassigned 2.69, 5.54 A)
&rst
ixpk= 848, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2094,2095,
igr2=2157,2158,
&end
#
# 0 AMB 20-2:849 0 AMB 20-1:849 4.00 (# 849:20 Double Ambig )
&rst
ixpk= 849, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
igr1=2151,2152,2151,2152,
igr2=2157,2158,2157,2158,
&end
#
# 136 ARG HG- 0 AMB 20-1:850 4.00 (# 850:20 Single Ambig )
&rst
ixpk= 850, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
igr1=2154,2155,
igr2=2157,2158,2157,2158,
&end
#
# 136 ARG HB- 0 AMB 20-1:851 4.00 (# 851:20 Single Ambig )
&rst
ixpk= 851, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
igr1=2151,2152,
igr2=2157,2158,2157,2158,
&end
#
# 136 ARG HN 0 AMB 20-1:852 5.50 (# 852:20 Single Ambig )
&rst
ixpk= 852, nxpk= 20, iat=2147, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=2157,2158,2157,2158,
&end
#
# 0 AMB 20-2:853 0 AMB 20-1:853 5.50 (# 853:20 Double Ambig )
&rst
ixpk= 853, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=2151,2152,2151,2152,
igr2=2157,2158,2157,2158,
&end
#
# 136 ARG HB- 0 AMB 20-1:854 5.50 (# 854:20 Single Ambig )
&rst
ixpk= 854, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=2151,2152,
igr2=2157,2158,2157,2158,
&end
#
# 136 ARG HG- 0 AMB 20-1:855 4.00 (# 855:20 Single Ambig )
&rst
ixpk= 855, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
igr1=2154,2155,
igr2=2157,2158,2157,2158,
&end
#
# 0 AMB 20-2:856 0 AMB 20-1:856 5.50 (# 856:20 Double Ambig )
&rst
ixpk= 856, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=2154,2155,2154,2155,
igr2=2157,2158,2157,2158,
&end
#
# 118 ARG HN 0 AMB 20-1:857 5.50 (# 857:20 Single Ambig )
&rst
ixpk= 857, nxpk= 20, iat=1848, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1858,1859,1858,1859,
&end
#
# 118 ARG HA 0 AMB 20-1:859 5.50 (# 859:20 Single Ambig )
&rst
ixpk= 859, nxpk= 20, iat=1850, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1858,1859,1858,1859,
&end
#
# 118 ARG HG- 0 AMB 20-1:861 2.80 (# 861:20 Single Ambig )
&rst
ixpk= 861, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1855,1856,
igr2=1858,1859,1858,1859,
&end
#
# 0 AMB 20-2:862 0 AMB 20-1:862 2.80 (# 862:20 Double Ambig )
&rst
ixpk= 862, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1855,1856,1855,1856,
igr2=1858,1859,1858,1859,
&end
#
# 6 LEU MDY 6 LEU HB- 5.50 (# 864:20 Preassigned 2.44, 3.32 A)
&rst
ixpk= 864, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 97, 98, 99, 101, 102, 103,
igr2= 92, 93,
&end
#
# 6 LEU MDX 6 LEU HB- 5.50 (# 865:20 Preassigned 2.44, 3.32 A)
&rst
ixpk= 865, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 97, 98, 99, 101, 102, 103,
igr2= 92, 93,
&end
#
# 6 LEU HG 6 LEU HB+ 5.50 (# 867:20 Preassigned 2.41, 2.78 A)
&rst
ixpk= 867, nxpk= 20, iat= 95, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 92, 93,
&end
#
# 6 LEU HA 6 LEU HB+ 5.50 (# 868:20 Preassigned 2.46, 2.77 A)
&rst
ixpk= 868, nxpk= 20, iat= 90, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 92, 93,
&end
#
# 89 ARG HA 89 ARG HD- 5.50 (# 872:20 Preassigned 2.11, 3.70 A)
&rst
ixpk= 872, nxpk= 20, iat=1388, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1396,1397,
&end
#
# 0 AMB 20-2:873 0 AMB 20-1:873 5.50 (# 873:20 Double Ambig )
&rst
ixpk= 873, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1532,1533,1390,1391,
igr2=1538,1539,1396,1397,
&end
#
# 98 ARG HG+ 98 ARG HD+ 4.00 (# 874:20 Preassigned 2.35, 2.71 A)
&rst
ixpk= 874, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=1535,1536,
igr2=1538,1539,
&end
#
# 121 ARG HG+ 121 ARG HD+ 5.50 (# 876:20 Preassigned 2.35, 2.70 A)
&rst
ixpk= 876, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1912,1913,
igr2=1915,1916,
&end
#
# 52 VAL MGY 121 ARG HD+ 5.50 (# 877:20 Preassigned 2.63, 6.36 A)
&rst
ixpk= 877, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 778, 779, 780, 782, 783, 784,
igr2=1915,1916,
&end
#
# 0 AMB 20-2:878 0 AMB 20-1:878 5.50 (# 878:20 Double Ambig )
&rst
ixpk= 878, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1929,1978,
igr2=1915,1916,1915,1916,
&end
#
# 0 AMB 20-2:880 0 AMB 20-1:880 4.00 (# 880:20 Double Ambig )
&rst
ixpk= 880, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
igr1=1909,1910,1281,1282,
igr2=1915,1916,1321,1322,
&end
#
# 0 AMB 20-2:881 0 AMB 20-1:881 4.00 (# 881:20 Double Ambig )
&rst
ixpk= 881, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.27, r4= 8.02,
igr1=2058,2059,2060,2062,2063,2064,1781,1782,1783,
igr2=2053,2054,2053,2054,
&end
#
# 130 LEU HN 130 LEU HB+ 5.50 (# 882:20 Preassigned 2.06, 2.42 A)
&rst
ixpk= 882, nxpk= 20, iat=2049, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2053,2054,
&end
#
# 31 LYS HN 30 LEU HB- 6.00 (# 885:20 Preassigned 2.05, 3.80 A)
&rst
ixpk= 885, nxpk= 20, iat= 494, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 479, 480,
&end
#
# 30 LEU MDY 30 LEU HB- 5.50 (# 886:20 Preassigned 2.35, 3.37 A)
&rst
ixpk= 886, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 484, 485, 486, 488, 489, 490,
igr2= 479, 480,
&end
#
# 30 LEU HA 30 LEU HB- 5.50 (# 887:20 Preassigned 2.42, 2.78 A)
&rst
ixpk= 887, nxpk= 20, iat= 477, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 479, 480,
&end
#
# 0 AMB 20-2:888 30 LEU HB- 4.00 (# 888:20 Single Ambig )
&rst
ixpk= 888, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.48, r4= 7.23,
igr1= 484, 485, 486, 488, 489, 490, 82, 83, 84,
igr2= 479, 480,
&end
#
# 24 GLN HA 30 LEU HB- 5.50 (# 889:20 Preassigned 3.91, 5.41 A)
&rst
ixpk= 889, nxpk= 20, iat= 369, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 479, 480,
&end
#
# 130 LEU HA 130 LEU HB- 5.50 (# 891:20 Preassigned 2.30, 2.72 A)
&rst
ixpk= 891, nxpk= 20, iat=2051, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2053,2054,
&end
#
# 30 LEU HA 30 LEU HB+ 5.50 (# 893:20 Preassigned 2.42, 2.78 A)
&rst
ixpk= 893, nxpk= 20, iat= 477, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 479, 480,
&end
#
# 0 AMB 20-2:894 0 AMB 20-1:894 4.00 (# 894:20 Double Ambig )
&rst
ixpk= 894, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.27, r4= 8.02,
igr1= 484, 485, 486, 488, 489, 490, 82, 83, 84,
igr2= 479, 480, 479, 480,
&end
#
# 30 LEU HN 30 LEU HB+ 5.50 (# 895:20 Preassigned 2.34, 2.90 A)
&rst
ixpk= 895, nxpk= 20, iat= 475, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 479, 480,
&end
#
# 6 LEU MDY 6 LEU HB+ 5.50 (# 897:20 Preassigned 2.44, 3.32 A)
&rst
ixpk= 897, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 97, 98, 99, 101, 102, 103,
igr2= 92, 93,
&end
#
# 121 ARG HG+ 121 ARG HD+ 4.00 (# 898:20 Preassigned 2.35, 2.70 A)
&rst
ixpk= 898, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=1912,1913,
igr2=1915,1916,
&end
#
# 130 LEU HG 130 LEU HB+ 4.00 (# 900:20 Preassigned 2.31, 2.66 A)
&rst
ixpk= 900, nxpk= 20, iat=2056, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2=2053,2054,
&end
#
# 127 VAL HA 130 LEU HB+ 5.50 (# 901:20 Preassigned 2.23, 2.97 A)
&rst
ixpk= 901, nxpk= 20, iat=2000, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2053,2054,
&end
#
# 69 SER HB+ 72 LEU HB+ 5.50 (# 902:20 Preassigned 3.52, 5.39 A)
&rst
ixpk= 902, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1030,1031,
igr2=1089,1090,
&end
#
# 0 AMB 20-2:903 0 AMB 20-1:903 5.50 (# 903:20 Double Ambig )
&rst
ixpk= 903, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1085,1104,
igr2=1089,1090,1089,1090,
&end
#
# 69 SER HN 72 LEU HB+ 5.50 (# 904:20 Preassigned 1.87, 2.86 A)
&rst
ixpk= 904, nxpk= 20, iat=1026, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1089,1090,
&end
#
# 72 LEU HA 72 LEU HB+ 5.50 (# 905:20 Preassigned 2.48, 2.81 A)
&rst
ixpk= 905, nxpk= 20, iat=1087, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1089,1090,
&end
#
# 72 LEU MDY 72 LEU HB+ 4.00 (# 906:20 Preassigned 2.37, 3.34 A)
&rst
ixpk= 906, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1=1094,1095,1096,1098,1099,1100,
igr2=1089,1090,
&end
#
# 0 AMB 20-2:907 0 AMB 20-1:907 4.00 (# 907:20 Double Ambig )
&rst
ixpk= 907, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.63, r4= 8.38,
igr1=1094,1095,1096,1098,1099,1100, 357, 358, 359, 361,
362, 363,
igr2=1089,1090, 352, 353,
&end
#
# 0 AMB 20-2:908 72 LEU HB- 4.00 (# 908:20 Single Ambig )
&rst
ixpk= 908, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=1085,1104,
igr2=1089,1090,
&end
#
# 69 SER HN 72 LEU HB- 5.50 (# 909:20 Preassigned 1.87, 2.86 A)
&rst
ixpk= 909, nxpk= 20, iat=1026, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1089,1090,
&end
#
# 72 LEU HA 72 LEU HB- 4.00 (# 910:20 Preassigned 2.48, 2.81 A)
&rst
ixpk= 910, nxpk= 20, iat=1087, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2=1089,1090,
&end
#
# 68 ILE HA 72 LEU HB- 5.50 (# 911:20 Preassigned 2.96, 3.61 A)
&rst
ixpk= 911, nxpk= 20, iat=1009, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1089,1090,
&end
#
# 0 AMB 20-2:912 0 AMB 20-1:912 4.00 (# 912:20 Double Ambig )
&rst
ixpk= 912, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.63, r4= 8.38,
igr1=1094,1095,1096,1098,1099,1100, 357, 358, 359, 361,
362, 363,
igr2=1089,1090, 352, 353,
&end
#
# 72 LEU MDY 72 LEU HB- 4.00 (# 913:20 Preassigned 2.37, 3.34 A)
&rst
ixpk= 913, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1=1094,1095,1096,1098,1099,1100,
igr2=1089,1090,
&end
#
# 30 LEU HN 30 LEU HB- 5.50 (# 917:20 Preassigned 2.34, 2.90 A)
&rst
ixpk= 917, nxpk= 20, iat= 475, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 479, 480,
&end
#
# 130 LEU HN 130 LEU HB- 5.50 (# 918:20 Preassigned 2.06, 2.42 A)
&rst
ixpk= 918, nxpk= 20, iat=2049, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2053,2054,
&end
#
# 130 LEU HG 130 LEU HB- 5.50 (# 920:20 Preassigned 2.31, 2.66 A)
&rst
ixpk= 920, nxpk= 20, iat=2056, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2053,2054,
&end
#
# 43 LYS HB+ 43 LYS HE+ 5.50 (# 926:20 Preassigned 2.12, 4.09 A)
&rst
ixpk= 926, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 657, 658,
igr2= 666, 667,
&end
#
# 43 LYS HG- 43 LYS HE+ 4.00 (# 928:20 Preassigned 2.25, 3.20 A)
&rst
ixpk= 928, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1= 660, 661,
igr2= 666, 667,
&end
#
# 115 ASP HN 115 ASP HB+ 4.00 (# 929:20 Preassigned 2.32, 2.78 A)
&rst
ixpk= 929, nxpk= 20, iat=1801, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2=1805,1806,
&end
#
# 119 LYS HG- 119 LYS HE+ 4.00 (# 930:20 Preassigned 2.45, 3.39 A)
&rst
ixpk= 930, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=1879,1880,
igr2=1885,1886,
&end
#
# 115 ASP HA 115 ASP HB- 5.50 (# 931:20 Unique 2.33, 2.71 A)
&rst
ixpk= 931, nxpk= 20, iat=1803, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1805,1806,
&end
#
# 115 ASP HN 115 ASP HB- 4.00 (# 932:20 Preassigned 2.32, 2.78 A)
&rst
ixpk= 932, nxpk= 20, iat=1801, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2=1805,1806,
&end
#
# 32 VAL MGY 23 LEU HB- 4.00 (# 934:20 Preassigned 2.15, 3.62 A)
&rst
ixpk= 934, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1= 522, 523, 524, 526, 527, 528,
igr2= 352, 353,
&end
#
# 0 AMB 20-2:936 0 AMB 20-1:936 4.00 (# 936:20 Double Ambig )
&rst
ixpk= 936, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.63, r4= 8.38,
igr1= 620, 621, 622, 624, 625, 626, 620, 621, 622, 624,
625, 626,
igr2= 666, 667, 666, 667,
&end
#
# 0 AMB 20-2:937 43 LYS HE- 5.50 (# 937:20 Single Ambig )
&rst
ixpk= 937, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 620, 621, 622, 624, 625, 626, 620, 621, 622, 624,
625, 626,
igr2= 666, 667,
&end
#
# 43 LYS HG- 43 LYS HE- 4.00 (# 938:20 Preassigned 2.25, 3.20 A)
&rst
ixpk= 938, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1= 660, 661,
igr2= 666, 667,
&end
#
# 90 LEU MDX 90 LEU HB+ 4.00 (# 939:20 Preassigned 2.31, 3.33 A)
&rst
ixpk= 939, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1=1419,1420,1421,1423,1424,1425,
igr2=1414,1415,
&end
#
# 90 LEU HN 90 LEU HB+ 5.50 (# 940:20 Preassigned 2.13, 2.66 A)
&rst
ixpk= 940, nxpk= 20, iat=1410, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1414,1415,
&end
#
# 90 LEU HG 90 LEU HB+ 5.50 (# 941:20 Preassigned 2.31, 2.72 A)
&rst
ixpk= 941, nxpk= 20, iat=1417, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1414,1415,
&end
#
# 90 LEU HA 90 LEU HB+ 5.50 (# 944:20 Preassigned 2.46, 2.81 A)
&rst
ixpk= 944, nxpk= 20, iat=1412, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1414,1415,
&end
#
# 23 LEU MDY 23 LEU HB+ 4.00 (# 945:20 Preassigned 2.41, 3.34 A)
&rst
ixpk= 945, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1= 357, 358, 359, 361, 362, 363,
igr2= 352, 353,
&end
#
# 23 LEU HN 23 LEU HB+ 5.50 (# 946:20 Preassigned 2.24, 2.94 A)
&rst
ixpk= 946, nxpk= 20, iat= 348, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 352, 353,
&end
#
# 0 AMB 20-2:947 0 AMB 20-1:947 5.50 (# 947:20 Double Ambig )
&rst
ixpk= 947, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1=2077,2078,2079,2081,2082,2083, 522, 523, 524, 526,
527, 528,
igr2=2072,2073, 352, 353,
&end
#
# 23 LEU HA 23 LEU HB+ 5.50 (# 948:20 Preassigned 2.57, 2.82 A)
&rst
ixpk= 948, nxpk= 20, iat= 350, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 352, 353,
&end
#
# 24 GLN HN 23 LEU HB- 5.50 (# 949:20 Preassigned 2.53, 3.11 A)
&rst
ixpk= 949, nxpk= 20, iat= 367, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 352, 353,
&end
#
# 23 LEU HA 23 LEU HB- 5.50 (# 950:20 Preassigned 2.57, 2.82 A)
&rst
ixpk= 950, nxpk= 20, iat= 350, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 352, 353,
&end
#
# 0 AMB 20-2:951 23 LEU HB- 4.00 (# 951:20 Single Ambig )
&rst
ixpk= 951, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.79, r4= 7.54,
igr1= 522, 523, 524, 526, 527, 528, 357, 358, 359, 361,
362, 363,
igr2= 352, 353,
&end
#
# 23 LEU HN 23 LEU HB- 5.50 (# 952:20 Preassigned 2.24, 2.94 A)
&rst
ixpk= 952, nxpk= 20, iat= 348, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 352, 353,
&end
#
# 90 LEU HA 90 LEU HB- 4.00 (# 953:20 Preassigned 2.46, 2.81 A)
&rst
ixpk= 953, nxpk= 20, iat=1412, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2=1414,1415,
&end
#
# 90 LEU HN 90 LEU HB- 5.50 (# 954:20 Preassigned 2.13, 2.66 A)
&rst
ixpk= 954, nxpk= 20, iat=1410, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1414,1415,
&end
#
# 22 LEU MDY 131 LEU HB+ 5.50 (# 957:20 Preassigned 2.81, 6.83 A)
&rst
ixpk= 957, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 338, 339, 340, 342, 343, 344,
igr2=2072,2073,
&end
#
# 0 AMB 20-2:959 43 LYS HE- 2.80 (# 959:20 Single Ambig )
&rst
ixpk= 959, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 663, 664, 663, 664,
igr2= 666, 667,
&end
#
# 84 LYS HG- 84 LYS HE- 4.00 (# 960:20 Preassigned 2.38, 3.21 A)
&rst
ixpk= 960, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=1296,1297,
igr2=1302,1303,
&end
#
# 90 LEU HG 90 LEU HB- 5.50 (# 964:20 Preassigned 2.31, 2.72 A)
&rst
ixpk= 964, nxpk= 20, iat=1417, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1414,1415,
&end
#
# 131 LEU HA 131 LEU HB+ 5.50 (# 965:20 Preassigned 2.28, 2.52 A)
&rst
ixpk= 965, nxpk= 20, iat=2070, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2072,2073,
&end
#
# 0 AMB 20-2:966 0 AMB 20-1:966 5.50 (# 966:20 Double Ambig )
&rst
ixpk= 966, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 321, 322, 321, 322,
igr2= 315, 316, 315, 316,
&end
#
# 58 LEU HB+ 21 ARG HD+ 5.50 (# 967:20 Preassigned 3.61, 6.82 A)
&rst
ixpk= 967, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 861, 862,
igr2= 315, 316,
&end
#
# 112 GLU HG+ 84 LYS HE- 5.50 (# 968:20 Preassigned 3.10, 6.29 A)
&rst
ixpk= 968, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1760,1761,
igr2=1302,1303,
&end
#
# 0 AMB 20-2:969 84 LYS HE- 5.50 (# 969:20 Single Ambig )
&rst
ixpk= 969, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1296,1297,1296,1297,
igr2=1302,1303,
&end
#
# 0 AMB 20-2:974 0 AMB 20-1:974 5.50 (# 974:20 Double Ambig )
&rst
ixpk= 974, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1296,1297,1296,1297,
igr2=1302,1303,1302,1303,
&end
#
# 0 AMB 20-2:975 0 AMB 20-1:975 4.00 (# 975:20 Double Ambig )
&rst
ixpk= 975, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
igr1= 50, 51, 50, 51,
igr2= 45, 46, 45, 46,
&end
#
# 3 ASN HN 0 AMB 20-1:976 4.00 (# 976:20 Single Ambig )
&rst
ixpk= 976, nxpk= 20, iat= 41, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr2= 45, 46, 45, 46,
&end
#
# 3 ASN HD2- 0 AMB 20-1:977 5.50 (# 977:20 Single Ambig )
&rst
ixpk= 977, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 50, 51,
igr2= 45, 46, 45, 46,
&end
#
# 3 ASN HA 0 AMB 20-1:978 2.80 (# 978:20 Single Ambig )
&rst
ixpk= 978, nxpk= 20, iat= 43, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2= 45, 46, 45, 46,
&end
#
# 30 LEU MDY 0 AMB 20-1:979 5.50 (# 979:20 Single Ambig )
&rst
ixpk= 979, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 484, 485, 486, 488, 489, 490,
igr2= 45, 46, 45, 46,
&end
#
# 0 AMB 20-2:980 60 LEU HB- 5.50 (# 980:20 Single Ambig )
&rst
ixpk= 980, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 896, 897, 898, 900, 901, 902, 896, 897, 898, 900,
901, 902,
igr2= 891, 892,
&end
#
# 0 AMB 20-2:981 0 AMB 20-1:981 4.00 (# 981:20 Double Ambig )
&rst
ixpk= 981, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
igr1= 889,2251,
igr2= 891, 892,2253,2254,
&end
#
# 45 ALA MB 60 LEU HB- 5.50 (# 983:20 Preassigned 2.39, 4.21 A)
&rst
ixpk= 983, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 686, 687, 688,
igr2= 891, 892,
&end
#
# 142 LEU MDY 142 LEU HB- 7.00 (# 984:20 Preassigned 2.39, 3.32 A)
&rst
ixpk= 984, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1=2258,2259,2260,2262,2263,2264,
igr2=2253,2254,
&end
#
# 142 LEU MDY 142 LEU HB+ 5.50 (# 985:20 Preassigned 2.39, 3.32 A)
&rst
ixpk= 985, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2258,2259,2260,2262,2263,2264,
igr2=2253,2254,
&end
#
# 60 LEU MDY 21 ARG HD+ 5.50 (# 986:20 Preassigned 2.20, 5.67 A)
&rst
ixpk= 986, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 896, 897, 898, 900, 901, 902,
igr2= 315, 316,
&end
#
# 21 ARG HE 21 ARG HD+ 5.50 (# 987:20 Preassigned 2.27, 2.63 A)
&rst
ixpk= 987, nxpk= 20, iat= 318, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 315, 316,
&end
#
# 21 ARG HE 21 ARG HD- 5.50 (# 990:20 Preassigned 2.27, 2.63 A)
&rst
ixpk= 990, nxpk= 20, iat= 318, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 315, 316,
&end
#
# 0 AMB 20-2:998 0 AMB 20-1:998 5.50 (# 998:20 Double Ambig )
&rst
ixpk= 998, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.80, r4=10.55,
igr1= 752, 753,2258,2259,2260,2262,2263,2264,
igr2= 891, 892,2253,2254,
&end
#
# 142 LEU HN 142 LEU HB- 5.50 (# 999:20 Preassigned 2.22, 2.98 A)
&rst
ixpk= 999, nxpk= 20, iat=2249, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2253,2254,
&end
#
# 142 LEU HA 142 LEU HB+ 5.50 (# 1000:20 Preassigned 2.51, 2.79 A)
&rst
ixpk= 1000, nxpk= 20, iat=2251, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2253,2254,
&end
#
# 142 LEU MDX 142 LEU HB+ 5.50 (# 1001:20 Preassigned 2.39, 3.32 A)
&rst
ixpk= 1001, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2258,2259,2260,2262,2263,2264,
igr2=2253,2254,
&end
#
# 142 LEU MDY 142 LEU HB+ 5.50 (# 1002:20 Preassigned 2.39, 3.32 A)
&rst
ixpk= 1002, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2258,2259,2260,2262,2263,2264,
igr2=2253,2254,
&end
#
# 142 LEU HN 142 LEU HB+ 5.50 (# 1003:20 Preassigned 2.22, 2.98 A)
&rst
ixpk= 1003, nxpk= 20, iat=2249, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2253,2254,
&end
#
# 103 LEU HN 103 LEU HB- 5.50 (# 1009:20 Preassigned 2.31, 2.68 A)
&rst
ixpk= 1009, nxpk= 20, iat=1614, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1618,1619,
&end
#
# 103 LEU MDX 103 LEU HB- 5.50 (# 1011:20 Preassigned 2.38, 3.33 A)
&rst
ixpk= 1011, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1623,1624,1625,1627,1628,1629,
igr2=1618,1619,
&end
#
# 103 LEU HN 103 LEU HB+ 5.50 (# 1014:20 Preassigned 2.31, 2.68 A)
&rst
ixpk= 1014, nxpk= 20, iat=1614, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1618,1619,
&end
#
# 76 TYR HN 76 TYR HB+ 5.50 (# 1015:20 Preassigned 2.37, 3.11 A)
&rst
ixpk= 1015, nxpk= 20, iat=1153, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1157,1158,
&end
#
# 5 ILE HG1+ 5 ILE HB 5.50 (# 1017:20 Preassigned 2.36, 2.71 A)
&rst
ixpk= 1017, nxpk= 20, iat= -1, 73, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 79, 80,
&end
#
# 5 ILE HN 5 ILE HB 5.50 (# 1018:20 Preassigned 2.28, 2.42 A)
&rst
ixpk= 1018, nxpk= 20, iat= 69, 73, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 5 ILE HA 5 ILE HB 5.50 (# 1019:20 Preassigned 3.02, 3.04 A)
&rst
ixpk= 1019, nxpk= 20, iat= 71, 73, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 5 ILE HG1- 5 ILE HB 5.50 (# 1020:20 Preassigned 2.36, 2.71 A)
&rst
ixpk= 1020, nxpk= 20, iat= -1, 73, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 79, 80,
&end
#
# 32 VAL MGX 5 ILE HB 5.50 (# 1021:20 Preassigned 2.13, 3.72 A)
&rst
ixpk= 1021, nxpk= 20, iat= -1, 73, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 522, 523, 524, 526, 527, 528,
&end
#
# 5 ILE QG2 5 ILE HB 4.00 (# 1022:20 Preassigned 2.43, 2.69 A)
&rst
ixpk= 1022, nxpk= 20, iat= -1, 73, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1= 75, 76, 77,
&end
#
# 32 VAL HA 5 ILE HB 5.50 (# 1023:20 Preassigned 2.11, 2.36 A)
&rst
ixpk= 1023, nxpk= 20, iat= 518, 73, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 5 ILE QD1 5 ILE HB 5.50 (# 1024:20 Preassigned 2.54, 3.37 A)
&rst
ixpk= 1024, nxpk= 20, iat= -1, 73, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 82, 83, 84,
&end
#
# 103 LEU MDY 103 LEU HB- 4.00 (# 1025:20 Preassigned 2.38, 3.33 A)
&rst
ixpk= 1025, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1=1623,1624,1625,1627,1628,1629,
igr2=1618,1619,
&end
#
# 77 ASP HN 76 TYR HB- 5.50 (# 1027:20 Preassigned 2.14, 3.03 A)
&rst
ixpk= 1027, nxpk= 20, iat=1174, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1157,1158,
&end
#
# 76 TYR HD 76 TYR HB- 5.50 (# 1029:20 Preassigned 2.40, 3.08 A)
&rst
ixpk= 1029, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1161,1170,
igr2=1157,1158,
&end
#
# 76 TYR HA 76 TYR HB- 5.50 (# 1030:20 Preassigned 2.39, 2.74 A)
&rst
ixpk= 1030, nxpk= 20, iat=1155, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1157,1158,
&end
#
# 76 TYR HN 76 TYR HB- 5.50 (# 1031:20 Preassigned 2.37, 3.11 A)
&rst
ixpk= 1031, nxpk= 20, iat=1153, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1157,1158,
&end
#
# 4 ASN HD2+ 4 ASN HB+ 7.00 (# 1032:20 Preassigned 2.31, 3.26 A)
&rst
ixpk= 1032, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 64, 65,
igr2= 59, 60,
&end
#
# 76 TYR HN 76 TYR HB+ 5.50 (# 1033:20 Preassigned 2.37, 3.11 A)
&rst
ixpk= 1033, nxpk= 20, iat=1153, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1157,1158,
&end
#
# 77 ASP HN 76 TYR HB+ 6.00 (# 1034:20 Preassigned 2.14, 3.03 A)
&rst
ixpk= 1034, nxpk= 20, iat=1174, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1157,1158,
&end
#
# 76 TYR HD 76 TYR HB+ 4.00 (# 1035:20 Preassigned 2.40, 3.08 A)
&rst
ixpk= 1035, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=1161,1170,
igr2=1157,1158,
&end
#
# 76 TYR HA 76 TYR HB+ 5.50 (# 1036:20 Preassigned 2.39, 2.74 A)
&rst
ixpk= 1036, nxpk= 20, iat=1155, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1157,1158,
&end
#
# 32 VAL MGY 5 ILE HB 5.50 (# 1037:20 Preassigned 2.13, 3.72 A)
&rst
ixpk= 1037, nxpk= 20, iat= -1, 73, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 522, 523, 524, 526, 527, 528,
&end
#
# 5 ILE QD1 5 ILE HB 5.50 (# 1038:20 Preassigned 2.54, 3.37 A)
&rst
ixpk= 1038, nxpk= 20, iat= -1, 73, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 82, 83, 84,
&end
#
# 32 VAL MGY 5 ILE HB 5.50 (# 1039:20 Preassigned 2.13, 3.72 A)
&rst
ixpk= 1039, nxpk= 20, iat= -1, 73, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 522, 523, 524, 526, 527, 528,
&end
#
# 4 ASN HA 4 ASN HB- 5.50 (# 1042:20 Preassigned 2.41, 2.67 A)
&rst
ixpk= 1042, nxpk= 20, iat= 57, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 59, 60,
&end
#
# 77 ASP HN 4 ASN HB- 5.50 (# 1043:20 Preassigned 2.33, 3.79 A)
&rst
ixpk= 1043, nxpk= 20, iat=1174, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 59, 60,
&end
#
# 4 ASN HN 4 ASN HB- 5.50 (# 1045:20 Preassigned 2.60, 3.41 A)
&rst
ixpk= 1045, nxpk= 20, iat= 55, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 59, 60,
&end
#
# 4 ASN HD2- 4 ASN HB- 5.50 (# 1046:20 Preassigned 2.31, 3.26 A)
&rst
ixpk= 1046, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 64, 65,
igr2= 59, 60,
&end
#
# 76 TYR HA 4 ASN HB- 6.00 (# 1047:20 Preassigned 2.09, 3.15 A)
&rst
ixpk= 1047, nxpk= 20, iat=1155, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 59, 60,
&end
#
# 4 ASN HD2+ 4 ASN HB- 5.50 (# 1048:20 Preassigned 2.31, 3.26 A)
&rst
ixpk= 1048, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 64, 65,
igr2= 59, 60,
&end
#
# 77 ASP HN 4 ASN HB+ 5.50 (# 1050:20 Preassigned 2.33, 3.79 A)
&rst
ixpk= 1050, nxpk= 20, iat=1174, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 59, 60,
&end
#
# 4 ASN HD2- 4 ASN HB+ 5.50 (# 1051:20 Preassigned 2.31, 3.26 A)
&rst
ixpk= 1051, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 64, 65,
igr2= 59, 60,
&end
#
# 4 ASN HD2+ 4 ASN HB+ 5.50 (# 1052:20 Preassigned 2.31, 3.26 A)
&rst
ixpk= 1052, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 64, 65,
igr2= 59, 60,
&end
#
# 4 ASN HA 4 ASN HB+ 4.00 (# 1054:20 Preassigned 2.41, 2.67 A)
&rst
ixpk= 1054, nxpk= 20, iat= 57, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2= 59, 60,
&end
#
# 76 TYR HA 4 ASN HB+ 5.50 (# 1055:20 Preassigned 2.09, 3.15 A)
&rst
ixpk= 1055, nxpk= 20, iat=1155, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 59, 60,
&end
#
# 108 ASP HA 108 ASP HB+ 5.50 (# 1058:20 Preassigned 2.43, 2.78 A)
&rst
ixpk= 1058, nxpk= 20, iat=1703, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1705,1706,
&end
#
# 108 ASP HN 108 ASP HB+ 5.50 (# 1061:20 Preassigned 2.46, 2.90 A)
&rst
ixpk= 1061, nxpk= 20, iat=1701, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1705,1706,
&end
#
# 108 ASP HN 108 ASP HB- 5.50 (# 1062:20 Preassigned 2.46, 2.90 A)
&rst
ixpk= 1062, nxpk= 20, iat=1701, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1705,1706,
&end
#
# 108 ASP HA 108 ASP HB- 4.00 (# 1064:20 Preassigned 2.43, 2.78 A)
&rst
ixpk= 1064, nxpk= 20, iat=1703, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2=1705,1706,
&end
#
# 52 VAL MGY 124 PHE HB+ 5.50 (# 1065:20 Preassigned 2.21, 3.92 A)
&rst
ixpk= 1065, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 778, 779, 780, 782, 783, 784,
igr2=1962,1963,
&end
#
# 48 THR MG2 124 PHE HB+ 5.50 (# 1067:20 Preassigned 2.51, 4.28 A)
&rst
ixpk= 1067, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 724, 725, 726,
igr2=1962,1963,
&end
#
# 124 PHE HD 124 PHE HB+ 5.50 (# 1068:20 Preassigned 2.30, 3.09 A)
&rst
ixpk= 1068, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1966,1974,
igr2=1962,1963,
&end
#
# 124 PHE HN 124 PHE HB+ 5.50 (# 1069:20 Preassigned 2.07, 2.81 A)
&rst
ixpk= 1069, nxpk= 20, iat=1958, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1962,1963,
&end
#
# 124 PHE HD 124 PHE HB- 4.00 (# 1071:20 Preassigned 2.30, 3.09 A)
&rst
ixpk= 1071, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=1966,1974,
igr2=1962,1963,
&end
#
# 26 TYR HN 26 TYR HB+ 5.50 (# 1073:20 Preassigned 2.41, 3.06 A)
&rst
ixpk= 1073, nxpk= 20, iat= 408, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 412, 413,
&end
#
# 111 CYS HB- 108 ASP HB- 5.50 (# 1074:20 Preassigned 2.53, 4.83 A)
&rst
ixpk= 1074, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1746,1747,
igr2=1705,1706,
&end
#
# 112 GLU HN 112 GLU HG+ 5.50 (# 1075:20 Preassigned 2.01, 3.13 A)
&rst
ixpk= 1075, nxpk= 20, iat=1753, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1760,1761,
&end
#
# 26 TYR HN 26 TYR HB- 5.50 (# 1076:20 Preassigned 2.41, 3.06 A)
&rst
ixpk= 1076, nxpk= 20, iat= 408, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 412, 413,
&end
#
# 26 TYR HD 26 TYR HB- 5.50 (# 1077:20 Preassigned 2.35, 3.11 A)
&rst
ixpk= 1077, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 416, 425,
igr2= 412, 413,
&end
#
# 139 ALA MB 26 TYR HB- 5.50 (# 1079:20 Preassigned 2.39, 3.06 A)
&rst
ixpk= 1079, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2216,2217,2218,
igr2= 412, 413,
&end
#
# 26 TYR HA 26 TYR HB- 4.00 (# 1080:20 Preassigned 2.42, 2.75 A)
&rst
ixpk= 1080, nxpk= 20, iat= 410, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2= 412, 413,
&end
#
# 2 PHE HA 2 PHE HB- 5.50 (# 1081:20 Preassigned 2.31, 2.69 A)
&rst
ixpk= 1081, nxpk= 20, iat= 23, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 25, 26,
&end
#
# 2 PHE HD 2 PHE HB- 5.50 (# 1082:20 Preassigned 2.32, 3.09 A)
&rst
ixpk= 1082, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 29, 37,
igr2= 25, 26,
&end
#
# 5 ILE QD1 2 PHE HB- 5.50 (# 1083:20 Preassigned 2.43, 4.06 A)
&rst
ixpk= 1083, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 82, 83, 84,
igr2= 25, 26,
&end
#
# 2 PHE HN 2 PHE HB- 5.50 (# 1084:20 Preassigned 2.50, 3.15 A)
&rst
ixpk= 1084, nxpk= 20, iat= 21, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 25, 26,
&end
#
# 142 LEU MDY 2 PHE HB- 5.50 (# 1085:20 Preassigned 2.74, 5.74 A)
&rst
ixpk= 1085, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2258,2259,2260,2262,2263,2264,
igr2= 25, 26,
&end
#
# 52 VAL MGY 124 PHE HB- 5.50 (# 1086:20 Preassigned 2.21, 3.92 A)
&rst
ixpk= 1086, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 778, 779, 780, 782, 783, 784,
igr2=1962,1963,
&end
#
# 48 THR MG2 124 PHE HB- 5.50 (# 1087:20 Preassigned 2.51, 4.28 A)
&rst
ixpk= 1087, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 724, 725, 726,
igr2=1962,1963,
&end
#
# 2 PHE HA 2 PHE HB+ 5.50 (# 1088:20 Preassigned 2.31, 2.69 A)
&rst
ixpk= 1088, nxpk= 20, iat= 23, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 25, 26,
&end
#
# 5 ILE QD1 2 PHE HB+ 5.50 (# 1089:20 Preassigned 2.43, 4.06 A)
&rst
ixpk= 1089, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 82, 83, 84,
igr2= 25, 26,
&end
#
# 142 LEU MDY 2 PHE HB+ 5.50 (# 1090:20 Preassigned 2.74, 5.74 A)
&rst
ixpk= 1090, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2258,2259,2260,2262,2263,2264,
igr2= 25, 26,
&end
#
# 2 PHE HD 2 PHE HB+ 5.50 (# 1091:20 Preassigned 2.32, 3.09 A)
&rst
ixpk= 1091, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 29, 37,
igr2= 25, 26,
&end
#
# 26 TYR HD 26 TYR HB+ 5.50 (# 1092:20 Preassigned 2.35, 3.11 A)
&rst
ixpk= 1092, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 416, 425,
igr2= 412, 413,
&end
#
# 26 TYR HA 26 TYR HB+ 5.50 (# 1093:20 Preassigned 2.42, 2.75 A)
&rst
ixpk= 1093, nxpk= 20, iat= 410, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 412, 413,
&end
#
# 112 GLU HA 112 GLU HG+ 5.50 (# 1094:20 Preassigned 2.55, 3.63 A)
&rst
ixpk= 1094, nxpk= 20, iat=1755, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1760,1761,
&end
#
# 112 GLU HB+ 112 GLU HG+ 4.00 (# 1096:20 Unique 2.25, 2.72 A)
&rst
ixpk= 1096, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=1757,1758,
igr2=1760,1761,
&end
#
# 112 GLU HA 112 GLU HG- 5.50 (# 1097:20 Preassigned 2.55, 3.63 A)
&rst
ixpk= 1097, nxpk= 20, iat=1755, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1760,1761,
&end
#
# 0 AMB 20-2:1099 68 ILE HB 5.50 (# 1099:20 Single Ambig )
&rst
ixpk= 1099, nxpk= 20, iat= -1,1011, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1026,1002,1003,
&end
#
# 8 VAL MGX 68 ILE HB 5.50 (# 1100:20 Preassigned 2.31, 3.78 A)
&rst
ixpk= 1100, nxpk= 20, iat= -1,1011, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 129, 130, 131, 133, 134, 135,
&end
#
# 68 ILE HN 68 ILE HB 4.00 (# 1101:20 Preassigned 2.35, 2.49 A)
&rst
ixpk= 1101, nxpk= 20, iat=1007,1011, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 68 ILE HG1+ 68 ILE HB 5.50 (# 1102:20 Preassigned 2.43, 2.76 A)
&rst
ixpk= 1102, nxpk= 20, iat= -1,1011, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1017,1018,
&end
#
# 0 AMB 20-2:1103 112 GLU HG- 7.00 (# 1103:20 Single Ambig )
&rst
ixpk= 1103, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
igr1=1296,1297,1296,1297,
igr2=1760,1761,
&end
#
# 103 LEU MDX 112 GLU HG- 7.00 (# 1104:20 Preassigned 2.86, 6.32 A)
&rst
ixpk= 1104, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1=1623,1624,1625,1627,1628,1629,
igr2=1760,1761,
&end
#
# 113 ILE HN 112 GLU HG- 5.50 (# 1105:20 Preassigned 2.90, 4.50 A)
&rst
ixpk= 1105, nxpk= 20, iat=1768, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1760,1761,
&end
#
# 112 GLU HB+ 112 GLU HG- 5.50 (# 1106:20 Unique 2.25, 2.72 A)
&rst
ixpk= 1106, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1757,1758,
igr2=1760,1761,
&end
#
# 79 ILE HG1- 79 ILE HB 4.00 (# 1107:20 Preassigned 2.26, 2.57 A)
&rst
ixpk= 1107, nxpk= 20, iat= -1,1209, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1215,1216,
&end
#
# 79 ILE QG2 79 ILE HB 4.00 (# 1108:20 Preassigned 2.38, 2.65 A)
&rst
ixpk= 1108, nxpk= 20, iat= -1,1209, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1=1211,1212,1213,
&end
#
# 79 ILE HN 79 ILE HB 5.50 (# 1109:20 Preassigned 2.37, 2.65 A)
&rst
ixpk= 1109, nxpk= 20, iat=1205,1209, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 101 VAL HA 79 ILE HB 5.50 (# 1111:20 Preassigned 2.09, 2.32 A)
&rst
ixpk= 1111, nxpk= 20, iat=1583,1209, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 68 ILE HA 68 ILE HB 4.00 (# 1112:20 Preassigned 2.42, 2.47 A)
&rst
ixpk= 1112, nxpk= 20, iat=1009,1011, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 35 ALA MB 68 ILE HB 5.50 (# 1113:20 Preassigned 2.47, 3.63 A)
&rst
ixpk= 1113, nxpk= 20, iat= -1,1011, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 562, 563, 564,
&end
#
# 68 ILE QD1 68 ILE HB 2.80 (# 1114:20 Preassigned 2.38, 3.11 A)
&rst
ixpk= 1114, nxpk= 20, iat= -1,1011, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1020,1021,1022,
&end
#
# 104 PHE HD 104 PHE HB- 7.00 (# 1115:20 Preassigned 2.32, 3.08 A)
&rst
ixpk= 1115, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1641,1649,
igr2=1637,1638,
&end
#
# 104 PHE HN 104 PHE HB- 5.50 (# 1116:20 Preassigned 2.07, 2.80 A)
&rst
ixpk= 1116, nxpk= 20, iat=1633, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1637,1638,
&end
#
# 143 ASN HD2- 143 ASN HB+ 5.50 (# 1119:20 Preassigned 2.19, 3.25 A)
&rst
ixpk= 1119, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2277,2278,
igr2=2272,2273,
&end
#
# 52 VAL MGX 128 TYR HB+ 5.50 (# 1120:20 Preassigned 2.38, 4.86 A)
&rst
ixpk= 1120, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 778, 779, 780, 782, 783, 784,
igr2=2018,2019,
&end
#
# 128 TYR HN 128 TYR HB+ 5.50 (# 1121:20 Preassigned 2.29, 2.51 A)
&rst
ixpk= 1121, nxpk= 20, iat=2014, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2018,2019,
&end
#
# 129 THR HN 128 TYR HB+ 5.50 (# 1123:20 Preassigned 2.46, 3.22 A)
&rst
ixpk= 1123, nxpk= 20, iat=2035, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2018,2019,
&end
#
# 143 ASN HN 143 ASN HB+ 4.00 (# 1124:20 Preassigned 2.28, 2.52 A)
&rst
ixpk= 1124, nxpk= 20, iat=2268, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2=2272,2273,
&end
#
# 140 GLN HA 143 ASN HB+ 5.50 (# 1125:20 Preassigned 2.08, 2.67 A)
&rst
ixpk= 1125, nxpk= 20, iat=2224, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2272,2273,
&end
#
# 144 ALA HN 143 ASN HB+ 5.50 (# 1126:20 Preassigned 2.31, 3.47 A)
&rst
ixpk= 1126, nxpk= 20, iat=2282, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2272,2273,
&end
#
# 128 TYR HD 128 TYR HB- 5.50 (# 1127:20 Preassigned 2.31, 3.09 A)
&rst
ixpk= 1127, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2022,2031,
igr2=2018,2019,
&end
#
# 128 TYR HA 128 TYR HB- 5.50 (# 1128:20 Preassigned 2.38, 2.75 A)
&rst
ixpk= 1128, nxpk= 20, iat=2016, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2018,2019,
&end
#
# 143 ASN HN 143 ASN HB- 2.80 (# 1130:20 Preassigned 2.28, 2.52 A)
&rst
ixpk= 1130, nxpk= 20, iat=2268, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=2272,2273,
&end
#
# 140 GLN HA 143 ASN HB- 6.00 (# 1131:20 Preassigned 2.08, 2.67 A)
&rst
ixpk= 1131, nxpk= 20, iat=2224, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=2272,2273,
&end
#
# 144 ALA HN 143 ASN HB- 5.50 (# 1132:20 Preassigned 2.31, 3.47 A)
&rst
ixpk= 1132, nxpk= 20, iat=2282, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2272,2273,
&end
#
# 143 ASN HD2- 143 ASN HB- 5.50 (# 1133:20 Preassigned 2.19, 3.25 A)
&rst
ixpk= 1133, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2277,2278,
igr2=2272,2273,
&end
#
# 72 LEU MDY 75 ASN HB- 5.50 (# 1134:20 Preassigned 3.31, 6.02 A)
&rst
ixpk= 1134, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1094,1095,1096,1098,1099,1100,
igr2=1143,1144,
&end
#
# 0 AMB 20-2:1135 75 ASN HB- 5.50 (# 1135:20 Single Ambig )
&rst
ixpk= 1135, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1148,1149,1161,1170,
igr2=1143,1144,
&end
#
# 75 ASN HN 0 AMB 20-1:1136 4.00 (# 1136:20 Single Ambig )
&rst
ixpk= 1136, nxpk= 20, iat=1139, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr2=1143,1144,1143,1144,
&end
#
# 117 TYR HN 117 TYR HB+ 5.50 (# 1138:20 Preassigned 2.21, 2.58 A)
&rst
ixpk= 1138, nxpk= 20, iat=1827, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1831,1832,
&end
#
# 117 TYR HD 117 TYR HB+ 5.50 (# 1140:20 Preassigned 2.27, 3.08 A)
&rst
ixpk= 1140, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1835,1844,
igr2=1831,1832,
&end
#
# 128 TYR HD 128 TYR HB+ 5.50 (# 1141:20 Preassigned 2.31, 3.09 A)
&rst
ixpk= 1141, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2022,2031,
igr2=2018,2019,
&end
#
# 128 TYR HN 128 TYR HB+ 5.50 (# 1142:20 Preassigned 2.29, 2.51 A)
&rst
ixpk= 1142, nxpk= 20, iat=2014, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2018,2019,
&end
#
# 128 TYR HA 128 TYR HB+ 5.50 (# 1143:20 Preassigned 2.38, 2.75 A)
&rst
ixpk= 1143, nxpk= 20, iat=2016, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2018,2019,
&end
#
# 128 TYR HN 128 TYR HB- 5.50 (# 1144:20 Preassigned 2.29, 2.51 A)
&rst
ixpk= 1144, nxpk= 20, iat=2014, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2018,2019,
&end
#
# 52 VAL MGX 128 TYR HB- 5.50 (# 1145:20 Preassigned 2.38, 4.86 A)
&rst
ixpk= 1145, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 778, 779, 780, 782, 783, 784,
igr2=2018,2019,
&end
#
# 75 ASN HA 0 AMB 20-1:1146 4.00 (# 1146:20 Single Ambig )
&rst
ixpk= 1146, nxpk= 20, iat=1141, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr2=1143,1144,1143,1144,
&end
#
# 102 MET HA 102 MET HB+ 5.50 (# 1147:20 Preassigned 2.24, 2.71 A)
&rst
ixpk= 1147, nxpk= 20, iat=1599, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1601,1602,
&end
#
# 102 MET ME 102 MET HB+ 5.50 (# 1148:20 Preassigned 2.27, 3.77 A)
&rst
ixpk= 1148, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1608,1609,1610,
igr2=1601,1602,
&end
#
# 103 LEU HN 102 MET HB+ 5.50 (# 1149:20 Preassigned 2.04, 3.11 A)
&rst
ixpk= 1149, nxpk= 20, iat=1614, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1601,1602,
&end
#
# 50 ILE QG2 50 ILE HB 4.00 (# 1151:20 Preassigned 2.46, 2.67 A)
&rst
ixpk= 1151, nxpk= 20, iat= -1, 746, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1= 748, 749, 750,
&end
#
# 51 SER HN 50 ILE HB 5.50 (# 1152:20 Preassigned 2.61, 2.72 A)
&rst
ixpk= 1152, nxpk= 20, iat= 761, 746, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 50 ILE HN 50 ILE HB 4.00 (# 1153:20 Preassigned 2.30, 2.51 A)
&rst
ixpk= 1153, nxpk= 20, iat= 742, 746, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 50 ILE QD1 50 ILE HB 2.80 (# 1154:20 Preassigned 2.50, 3.15 A)
&rst
ixpk= 1154, nxpk= 20, iat= -1, 746, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 755, 756, 757,
&end
#
# 47 PRO HA 50 ILE HB 4.00 (# 1155:20 Preassigned 2.15, 2.37 A)
&rst
ixpk= 1155, nxpk= 20, iat= 714, 746, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 0 AMB 20-2:1156 40 LEU HB- 5.50 (# 1156:20 Single Ambig )
&rst
ixpk= 1156, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 620, 621, 622, 624, 625, 626, 620, 621, 622, 624,
625, 626,
igr2= 615, 616,
&end
#
# 40 LEU HG 40 LEU HB- 5.50 (# 1157:20 Preassigned 2.45, 2.77 A)
&rst
ixpk= 1157, nxpk= 20, iat= 618, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 615, 616,
&end
#
# 40 LEU HN 40 LEU HB- 5.50 (# 1158:20 Preassigned 2.33, 3.05 A)
&rst
ixpk= 1158, nxpk= 20, iat= 611, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 615, 616,
&end
#
# 40 LEU HA 40 LEU HB- 4.00 (# 1160:20 Preassigned 2.42, 2.78 A)
&rst
ixpk= 1160, nxpk= 20, iat= 613, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2= 615, 616,
&end
#
# 102 MET HG- 102 MET HB+ 5.50 (# 1161:20 Preassigned 2.32, 2.73 A)
&rst
ixpk= 1161, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1604,1605,
igr2=1601,1602,
&end
#
# 80 LEU MDY 102 MET HB+ 5.50 (# 1162:20 Preassigned 2.23, 5.02 A)
&rst
ixpk= 1162, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1233,1234,1235,1237,1238,1239,
igr2=1601,1602,
&end
#
# 50 ILE HG1+ 50 ILE HB 5.50 (# 1163:20 Preassigned 2.50, 2.80 A)
&rst
ixpk= 1163, nxpk= 20, iat= -1, 746, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 752, 753,
&end
#
# 40 LEU HA 40 LEU HB- 5.50 (# 1164:20 Preassigned 2.42, 2.78 A)
&rst
ixpk= 1164, nxpk= 20, iat= 613, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 615, 616,
&end
#
# 88 GLU HN 87 ILE HB 5.50 (# 1165:20 Preassigned 2.46, 2.64 A)
&rst
ixpk= 1165, nxpk= 20, iat=1371,1356, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 87 ILE HG1- 87 ILE HB 5.50 (# 1166:20 Preassigned 2.37, 2.46 A)
&rst
ixpk= 1166, nxpk= 20, iat= -1,1356, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1362,1363,
&end
#
# 0 AMB 20-2:1167 0 AMB 20-1:1167 5.50 (# 1167:20 Double Ambig )
&rst
ixpk= 1167, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 547,1929,
igr2= 539, 540,1936,1937,
&end
#
# 33 GLU HB- 33 GLU HG+ 5.50 (# 1169:20 Preassigned 2.27, 2.69 A)
&rst
ixpk= 1169, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 536, 537,
igr2= 539, 540,
&end
#
# 87 ILE HN 87 ILE HB 4.00 (# 1171:20 Preassigned 2.56, 2.64 A)
&rst
ixpk= 1171, nxpk= 20, iat=1352,1356, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 87 ILE HA 87 ILE HB 5.50 (# 1173:20 Preassigned 2.11, 3.00 A)
&rst
ixpk= 1173, nxpk= 20, iat=1354,1356, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 109 ASN HD2- 109 ASN HB- 5.50 (# 1174:20 Preassigned 2.23, 3.34 A)
&rst
ixpk= 1174, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1722,1723,
igr2=1717,1718,
&end
#
# 109 ASN HD2+ 109 ASN HB- 5.50 (# 1176:20 Preassigned 2.23, 3.34 A)
&rst
ixpk= 1176, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1722,1723,
igr2=1717,1718,
&end
#
# 109 ASN HA 109 ASN HB- 4.00 (# 1177:20 Preassigned 2.43, 2.76 A)
&rst
ixpk= 1177, nxpk= 20, iat=1715, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2=1717,1718,
&end
#
# 109 ASN HD2- 109 ASN HB+ 5.50 (# 1178:20 Preassigned 2.23, 3.34 A)
&rst
ixpk= 1178, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1722,1723,
igr2=1717,1718,
&end
#
# 109 ASN HN 109 ASN HB+ 5.50 (# 1179:20 Preassigned 2.85, 3.35 A)
&rst
ixpk= 1179, nxpk= 20, iat=1713, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1717,1718,
&end
#
# 109 ASN HA 109 ASN HB+ 4.00 (# 1180:20 Preassigned 2.43, 2.76 A)
&rst
ixpk= 1180, nxpk= 20, iat=1715, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2=1717,1718,
&end
#
# 109 ASN HD2+ 109 ASN HB+ 4.00 (# 1181:20 Preassigned 2.23, 3.34 A)
&rst
ixpk= 1181, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=1722,1723,
igr2=1717,1718,
&end
#
# 122 GLU HN 122 GLU HG+ 5.50 (# 1183:20 Preassigned 2.11, 3.79 A)
&rst
ixpk= 1183, nxpk= 20, iat=1929, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1936,1937,
&end
#
# 126 ALA MB 122 GLU HG+ 5.50 (# 1185:20 Preassigned 3.76, 6.57 A)
&rst
ixpk= 1185, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1992,1993,1994,
igr2=1936,1937,
&end
#
# 122 GLU HB- 122 GLU HG+ 2.80 (# 1186:20 Preassigned 2.26, 2.68 A)
&rst
ixpk= 1186, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1933,1934,
igr2=1936,1937,
&end
#
# 122 GLU HB+ 122 GLU HG+ 2.80 (# 1187:20 Preassigned 2.26, 2.68 A)
&rst
ixpk= 1187, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1933,1934,
igr2=1936,1937,
&end
#
# 122 GLU HA 122 GLU HG+ 5.50 (# 1188:20 Preassigned 2.39, 3.28 A)
&rst
ixpk= 1188, nxpk= 20, iat=1931, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1936,1937,
&end
#
# 34 SER HN 33 GLU HG- 5.50 (# 1190:20 Preassigned 1.91, 3.55 A)
&rst
ixpk= 1190, nxpk= 20, iat= 547, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 539, 540,
&end
#
# 109 ASN HN 109 ASN HB- 5.50 (# 1191:20 Preassigned 2.85, 3.35 A)
&rst
ixpk= 1191, nxpk= 20, iat=1713, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1717,1718,
&end
#
# 22 LEU MDY 132 GLU HG+ 5.50 (# 1192:20 Preassigned 2.19, 4.11 A)
&rst
ixpk= 1192, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 338, 339, 340, 342, 343, 344,
igr2=2094,2095,
&end
#
# 145 GLU HA 145 GLU HG+ 4.00 (# 1193:20 Preassigned 2.36, 3.18 A)
&rst
ixpk= 1193, nxpk= 20, iat=2294, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2=2299,2300,
&end
#
# 145 GLU HN 145 GLU HG- 4.00 (# 1196:20 Preassigned 2.18, 4.16 A)
&rst
ixpk= 1196, nxpk= 20, iat=2292, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2=2299,2300,
&end
#
# 145 GLU HA 145 GLU HG- 4.00 (# 1197:20 Preassigned 2.36, 3.18 A)
&rst
ixpk= 1197, nxpk= 20, iat=2294, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2=2299,2300,
&end
#
# 92 GLU HN 92 GLU HG- 5.50 (# 1198:20 Preassigned 2.43, 4.16 A)
&rst
ixpk= 1198, nxpk= 20, iat=1440, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1447,1448,
&end
#
# 92 GLU HA 92 GLU HG- 5.50 (# 1199:20 Preassigned 2.41, 3.15 A)
&rst
ixpk= 1199, nxpk= 20, iat=1442, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1447,1448,
&end
#
# 55 GLU HB- 55 GLU HG- 2.80 (# 1200:20 Preassigned 2.34, 2.67 A)
&rst
ixpk= 1200, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 812, 813,
igr2= 815, 816,
&end
#
# 55 GLU HA 55 GLU HG- 4.00 (# 1201:20 Preassigned 2.46, 3.12 A)
&rst
ixpk= 1201, nxpk= 20, iat= 810, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2= 815, 816,
&end
#
# 55 GLU HN 55 GLU HG- 4.00 (# 1203:20 Preassigned 2.53, 4.10 A)
&rst
ixpk= 1203, nxpk= 20, iat= 808, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2= 815, 816,
&end
#
# 81 THR HA 8 VAL HB 5.50 (# 1204:20 Preassigned 3.96, 4.35 A)
&rst
ixpk= 1204, nxpk= 20, iat=1245, 127, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 8 VAL MGY 8 VAL HB 4.00 (# 1205:20 Preassigned 2.40, 2.66 A)
&rst
ixpk= 1205, nxpk= 20, iat= -1, 127, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1= 129, 130, 131, 133, 134, 135,
&end
#
# 81 THR MG2 8 VAL HB 5.50 (# 1207:20 Preassigned 2.49, 5.11 A)
&rst
ixpk= 1207, nxpk= 20, iat= -1, 127, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1249,1250,1251,
&end
#
# 81 THR HB 8 VAL HB 5.50 (# 1208:20 Preassigned 2.72, 3.64 A)
&rst
ixpk= 1208, nxpk= 20, iat=1247, 127, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 61 GLU HN 0 AMB 20-1:1210 4.00 (# 1210:20 Single Ambig )
&rst
ixpk= 1210, nxpk= 20, iat= 906, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr2= 913, 914, 913, 914,
&end
#
# 61 GLU HA 0 AMB 20-1:1211 4.00 (# 1211:20 Single Ambig )
&rst
ixpk= 1211, nxpk= 20, iat= 908, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr2= 913, 914, 913, 914,
&end
#
# 0 AMB 20-2:1212 0 AMB 20-1:1212 5.50 (# 1212:20 Double Ambig )
&rst
ixpk= 1212, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=2330,2331,2332,2334,2335,2336, 748, 749, 750,
igr2=2299,2300, 913, 914,
&end
#
# 0 AMB 20-2:1217 0 AMB 20-1:1217 5.50 (# 1217:20 Double Ambig )
&rst
ixpk= 1217, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1313,2284,
igr2=1378,1379,2299,2300,
&end
#
# 145 GLU HB- 145 GLU HG- 2.80 (# 1218:20 Preassigned 2.28, 2.70 A)
&rst
ixpk= 1218, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=2296,2297,
igr2=2299,2300,
&end
#
# 89 ARG HA 0 AMB 20-1:1221 5.50 (# 1221:20 Single Ambig )
&rst
ixpk= 1221, nxpk= 20, iat=1388, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1378,1379,1447,1448,
&end
#
# 8 VAL HN 8 VAL HB 5.50 (# 1222:20 Preassigned 2.62, 2.82 A)
&rst
ixpk= 1222, nxpk= 20, iat= 123, 127, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 81 THR HB 8 VAL HB 5.50 (# 1223:20 Preassigned 2.72, 3.64 A)
&rst
ixpk= 1223, nxpk= 20, iat=1247, 127, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:1225 8 VAL HB 4.00 (# 1225:20 Single Ambig )
&rst
ixpk= 1225, nxpk= 20, iat= -1, 127, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1= 584, 585, 586, 588, 589, 590,1419,1420,1421,1423,
1424,1425,
&end
#
# 37 LEU MDX 8 VAL HB 5.50 (# 1226:20 Preassigned 2.34, 6.46 A)
&rst
ixpk= 1226, nxpk= 20, iat= -1, 127, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 584, 585, 586, 588, 589, 590,
&end
#
# 29 GLU HA 29 GLU HG+ 5.50 (# 1227:20 Preassigned 2.43, 3.50 A)
&rst
ixpk= 1227, nxpk= 20, iat= 462, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 467, 468,
&end
#
# 30 LEU MDY 29 GLU HG- 5.50 (# 1230:20 Preassigned 2.20, 6.78 A)
&rst
ixpk= 1230, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 484, 485, 486, 488, 489, 490,
igr2= 467, 468,
&end
#
# 29 GLU HA 29 GLU HG- 4.00 (# 1231:20 Preassigned 2.43, 3.50 A)
&rst
ixpk= 1231, nxpk= 20, iat= 462, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2= 467, 468,
&end
#
# 87 ILE QG2 88 GLU HG- 5.50 (# 1233:20 Preassigned 3.90, 6.35 A)
&rst
ixpk= 1233, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1358,1359,1360,
igr2=1378,1379,
&end
#
# 88 GLU HN 88 GLU HG- 4.00 (# 1234:20 Preassigned 2.25, 3.64 A)
&rst
ixpk= 1234, nxpk= 20, iat=1371, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2=1378,1379,
&end
#
# 88 GLU HA 88 GLU HG- 5.50 (# 1235:20 Preassigned 2.38, 2.92 A)
&rst
ixpk= 1235, nxpk= 20, iat=1373, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1378,1379,
&end
#
# 110 GLU HN 110 GLU HG+ 5.50 (# 1236:20 Preassigned 2.73, 4.00 A)
&rst
ixpk= 1236, nxpk= 20, iat=1727, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1734,1735,
&end
#
# 110 GLU HA 110 GLU HG+ 5.50 (# 1238:20 Preassigned 2.25, 2.87 A)
&rst
ixpk= 1238, nxpk= 20, iat=1729, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1734,1735,
&end
#
# 110 GLU HN 110 GLU HG- 5.50 (# 1240:20 Preassigned 2.73, 4.00 A)
&rst
ixpk= 1240, nxpk= 20, iat=1727, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1734,1735,
&end
#
# 96 GLU HA 96 GLU HG- 5.50 (# 1241:20 Preassigned 2.40, 3.57 A)
&rst
ixpk= 1241, nxpk= 20, iat=1498, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1503,1504,
&end
#
# 110 GLU HA 110 GLU HG- 5.50 (# 1242:20 Preassigned 2.25, 2.87 A)
&rst
ixpk= 1242, nxpk= 20, iat=1729, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1734,1735,
&end
#
# 96 GLU HN 96 GLU HG- 5.50 (# 1244:20 Preassigned 1.92, 3.16 A)
&rst
ixpk= 1244, nxpk= 20, iat=1496, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1503,1504,
&end
#
# 57 GLN HN 57 GLN HG+ 5.50 (# 1246:20 Preassigned 2.48, 3.55 A)
&rst
ixpk= 1246, nxpk= 20, iat= 840, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 847, 848,
&end
#
# 57 GLN HA 57 GLN HG+ 4.00 (# 1247:20 Preassigned 2.43, 3.22 A)
&rst
ixpk= 1247, nxpk= 20, iat= 842, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2= 847, 848,
&end
#
# 57 GLN HN 57 GLN HG- 4.00 (# 1248:20 Preassigned 2.48, 3.55 A)
&rst
ixpk= 1248, nxpk= 20, iat= 840, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2= 847, 848,
&end
#
# 57 GLN HA 57 GLN HG- 4.00 (# 1249:20 Preassigned 2.43, 3.22 A)
&rst
ixpk= 1249, nxpk= 20, iat= 842, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2= 847, 848,
&end
#
# 34 SER HN 33 GLU HB+ 5.50 (# 1250:20 Unique 2.13, 3.27 A)
&rst
ixpk= 1250, nxpk= 20, iat= 547, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 536, 537,
&end
#
# 57 GLN HE2+ 57 GLN HG- 4.00 (# 1251:20 Preassigned 2.22, 3.36 A)
&rst
ixpk= 1251, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1= 852, 853,
igr2= 847, 848,
&end
#
# 35 ALA MB 66 ARG HB- 5.50 (# 1253:20 Preassigned 3.33, 5.65 A)
&rst
ixpk= 1253, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 562, 563, 564,
igr2= 970, 971,
&end
#
# 66 ARG HE 66 ARG HB+ 5.50 (# 1254:20 Preassigned 2.47, 4.07 A)
&rst
ixpk= 1254, nxpk= 20, iat= 979, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 970, 971,
&end
#
# 66 ARG HG- 66 ARG HB+ 4.00 (# 1255:20 Preassigned 2.28, 2.69 A)
&rst
ixpk= 1255, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1= 973, 974,
igr2= 970, 971,
&end
#
# 66 ARG HA 66 ARG HB- 5.50 (# 1256:20 Preassigned 2.29, 2.48 A)
&rst
ixpk= 1256, nxpk= 20, iat= 968, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 970, 971,
&end
#
# 67 GLN HN 66 ARG HB- 5.50 (# 1257:20 Preassigned 2.73, 3.60 A)
&rst
ixpk= 1257, nxpk= 20, iat= 990, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 970, 971,
&end
#
# 35 ALA MB 66 ARG HB- 5.50 (# 1258:20 Preassigned 3.33, 5.65 A)
&rst
ixpk= 1258, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 562, 563, 564,
igr2= 970, 971,
&end
#
# 66 ARG HD+ 66 ARG HB- 5.50 (# 1259:20 Preassigned 2.37, 3.19 A)
&rst
ixpk= 1259, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 976, 977,
igr2= 970, 971,
&end
#
# 66 ARG HG- 66 ARG HB- 4.00 (# 1260:20 Preassigned 2.28, 2.69 A)
&rst
ixpk= 1260, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1= 973, 974,
igr2= 970, 971,
&end
#
# 32 VAL MGY 0 AMB 20-1:1261 5.50 (# 1261:20 Single Ambig )
&rst
ixpk= 1261, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 522, 523, 524, 526, 527, 528,
igr2= 374, 375, 374, 375,
&end
#
# 32 VAL HB 0 AMB 20-1:1266 4.00 (# 1266:20 Single Ambig )
&rst
ixpk= 1266, nxpk= 20, iat= 520, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr2= 374, 375, 374, 375,
&end
#
# 24 GLN HN 0 AMB 20-1:1267 4.00 (# 1267:20 Single Ambig )
&rst
ixpk= 1267, nxpk= 20, iat= 367, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr2= 374, 375, 374, 375,
&end
#
# 24 GLN HB- 0 AMB 20-1:1269 5.50 (# 1269:20 Single Ambig )
&rst
ixpk= 1269, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 371, 372,
igr2= 374, 375, 374, 375,
&end
#
# 32 VAL HB 0 AMB 20-1:1270 5.50 (# 1270:20 Single Ambig )
&rst
ixpk= 1270, nxpk= 20, iat= 520, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 374, 375, 374, 375,
&end
#
# 32 VAL MGX 0 AMB 20-1:1271 5.50 (# 1271:20 Single Ambig )
&rst
ixpk= 1271, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 522, 523, 524, 526, 527, 528,
igr2= 374, 375, 374, 375,
&end
#
# 146 GLN HN 146 GLN HG+ 4.00 (# 1272:20 Preassigned 2.06, 3.56 A)
&rst
ixpk= 1272, nxpk= 20, iat=2307, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2=2314,2315,
&end
#
# 147 VAL HN 146 GLN HG+ 7.00 (# 1273:20 Preassigned 2.51, 4.35 A)
&rst
ixpk= 1273, nxpk= 20, iat=2324, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=2314,2315,
&end
#
# 146 GLN HE2+ 146 GLN HG+ 5.50 (# 1274:20 Preassigned 2.21, 3.34 A)
&rst
ixpk= 1274, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2319,2320,
igr2=2314,2315,
&end
#
# 146 GLN HE2- 146 GLN HG+ 5.50 (# 1275:20 Preassigned 2.21, 3.34 A)
&rst
ixpk= 1275, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2319,2320,
igr2=2314,2315,
&end
#
# 0 AMB 20-2:1276 0 AMB 20-1:1276 4.00 (# 1276:20 Double Ambig )
&rst
ixpk= 1276, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
igr1=1457,2224,
igr2=1459,1460,2229,2230,
&end
#
# 90 LEU HA 93 MET HB+ 5.50 (# 1277:20 Preassigned 2.30, 3.36 A)
&rst
ixpk= 1277, nxpk= 20, iat=1412, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1459,1460,
&end
#
# 94 ALA HN 93 MET HB+ 5.50 (# 1278:20 Preassigned 2.73, 3.37 A)
&rst
ixpk= 1278, nxpk= 20, iat=1472, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1459,1460,
&end
#
# 93 MET HN 93 MET HB+ 5.50 (# 1279:20 Preassigned 2.34, 3.02 A)
&rst
ixpk= 1279, nxpk= 20, iat=1455, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1459,1460,
&end
#
# 0 AMB 20-2:1280 0 AMB 20-1:1280 5.50 (# 1280:20 Double Ambig )
&rst
ixpk= 1280, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1457,2224,
igr2=1459,1460,2229,2230,
&end
#
# 93 MET HG- 93 MET HB+ 4.00 (# 1281:20 Preassigned 2.36, 2.75 A)
&rst
ixpk= 1281, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=1462,1463,
igr2=1459,1460,
&end
#
# 67 GLN HN 66 ARG HB+ 5.50 (# 1282:20 Preassigned 2.73, 3.60 A)
&rst
ixpk= 1282, nxpk= 20, iat= 990, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 970, 971,
&end
#
# 66 ARG HD+ 66 ARG HB+ 5.50 (# 1283:20 Preassigned 2.37, 3.19 A)
&rst
ixpk= 1283, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 976, 977,
igr2= 970, 971,
&end
#
# 66 ARG HA 66 ARG HB+ 5.50 (# 1284:20 Preassigned 2.29, 2.48 A)
&rst
ixpk= 1284, nxpk= 20, iat= 968, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 970, 971,
&end
#
# 66 ARG HD- 66 ARG HB- 5.50 (# 1285:20 Preassigned 2.37, 3.19 A)
&rst
ixpk= 1285, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 976, 977,
igr2= 970, 971,
&end
#
# 140 GLN HG- 137 GLN HG+ 5.50 (# 1286:20 Preassigned 4.33, 6.26 A)
&rst
ixpk= 1286, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2229,2230,
igr2=2178,2179,
&end
#
# 140 GLN HN 140 GLN HG- 5.50 (# 1287:20 Preassigned 2.55, 4.07 A)
&rst
ixpk= 1287, nxpk= 20, iat=2222, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2229,2230,
&end
#
# 146 GLN HA 146 GLN HG+ 4.00 (# 1289:20 Preassigned 2.38, 3.23 A)
&rst
ixpk= 1289, nxpk= 20, iat=2309, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2=2314,2315,
&end
#
# 146 GLN HB+ 146 GLN HG+ 4.00 (# 1290:20 Preassigned 2.38, 2.71 A)
&rst
ixpk= 1290, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=2311,2312,
igr2=2314,2315,
&end
#
# 140 GLN HN 140 GLN HG+ 5.50 (# 1293:20 Preassigned 2.55, 4.07 A)
&rst
ixpk= 1293, nxpk= 20, iat=2222, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2229,2230,
&end
#
# 0 AMB 20-2:1294 0 AMB 20-1:1294 2.80 (# 1294:20 Double Ambig )
&rst
ixpk= 1294, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1457,2224,
igr2=1459,1460,2229,2230,
&end
#
# 93 MET HN 93 MET HB- 5.50 (# 1298:20 Preassigned 2.34, 3.02 A)
&rst
ixpk= 1298, nxpk= 20, iat=1455, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1459,1460,
&end
#
# 93 MET HG+ 93 MET HB- 4.00 (# 1299:20 Preassigned 2.36, 2.75 A)
&rst
ixpk= 1299, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=1462,1463,
igr2=1459,1460,
&end
#
# 32 VAL HN 32 VAL HB 5.50 (# 1300:20 Preassigned 2.87, 3.07 A)
&rst
ixpk= 1300, nxpk= 20, iat= 516, 520, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:1301 32 VAL HB 5.50 (# 1301:20 Single Ambig )
&rst
ixpk= 1301, nxpk= 20, iat= -1, 520, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 374, 375, 374, 375,
&end
#
# 32 VAL MGY 32 VAL HB 4.00 (# 1302:20 Preassigned 2.38, 2.66 A)
&rst
ixpk= 1302, nxpk= 20, iat= -1, 520, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1= 522, 523, 524, 526, 527, 528,
&end
#
# 140 GLN HE2+ 140 GLN HG+ 5.50 (# 1303:20 Preassigned 2.24, 3.28 A)
&rst
ixpk= 1303, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2234,2235,
igr2=2229,2230,
&end
#
# 137 GLN HN 137 GLN HG- 4.00 (# 1304:20 Preassigned 2.45, 2.96 A)
&rst
ixpk= 1304, nxpk= 20, iat=2171, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2=2178,2179,
&end
#
# 137 GLN HA 0 AMB 20-1:1305 4.00 (# 1305:20 Single Ambig )
&rst
ixpk= 1305, nxpk= 20, iat=2173, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr2=2229,2230,2178,2179,
&end
#
# 0 AMB 20-2:1306 137 GLN HG- 5.50 (# 1306:20 Single Ambig )
&rst
ixpk= 1306, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=2175,2176,2154,2155,
igr2=2178,2179,
&end
#
# 100 LYS HA 100 LYS HB+ 4.00 (# 1309:20 Preassigned 2.35, 2.74 A)
&rst
ixpk= 1309, nxpk= 20, iat=1561, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2=1563,1564,
&end
#
# 100 LYS HD- 100 LYS HB+ 5.50 (# 1311:20 Preassigned 2.46, 3.16 A)
&rst
ixpk= 1311, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1569,1570,
igr2=1563,1564,
&end
#
# 100 LYS HD- 100 LYS HB+ 5.50 (# 1312:20 Preassigned 2.46, 3.16 A)
&rst
ixpk= 1312, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1569,1570,
igr2=1563,1564,
&end
#
# 100 LYS HD+ 100 LYS HB+ 5.50 (# 1313:20 Preassigned 2.46, 3.16 A)
&rst
ixpk= 1313, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1569,1570,
igr2=1563,1564,
&end
#
# 32 VAL HA 32 VAL HB 5.50 (# 1314:20 Preassigned 2.36, 2.87 A)
&rst
ixpk= 1314, nxpk= 20, iat= 518, 520, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 32 VAL MGX 32 VAL HB 4.00 (# 1315:20 Preassigned 2.38, 2.66 A)
&rst
ixpk= 1315, nxpk= 20, iat= -1, 520, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1= 522, 523, 524, 526, 527, 528,
&end
#
# 86 HIS HN 86 HIS HB- 7.00 (# 1316:20 Preassigned 2.32, 3.06 A)
&rst
ixpk= 1316, nxpk= 20, iat=1335, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1339,1340,
&end
#
# 81 THR MG2 86 HIS HB- 5.50 (# 1317:20 Preassigned 2.34, 3.54 A)
&rst
ixpk= 1317, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1249,1250,1251,
igr2=1339,1340,
&end
#
# 37 LEU MDX 86 HIS HB+ 5.50 (# 1318:20 Preassigned 2.27, 5.25 A)
&rst
ixpk= 1318, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 584, 585, 586, 588, 589, 590,
igr2=1339,1340,
&end
#
# 86 HIS HA 86 HIS HB+ 5.50 (# 1321:20 Preassigned 2.38, 2.74 A)
&rst
ixpk= 1321, nxpk= 20, iat=1337, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1339,1340,
&end
#
# 81 THR MG2 86 HIS HB+ 6.00 (# 1322:20 Unique 2.34, 3.54 A)
&rst
ixpk= 1322, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1249,1250,1251,
igr2=1339,1340,
&end
#
# 137 GLN HE2- 137 GLN HG- 5.50 (# 1323:20 Preassigned 2.15, 3.23 A)
&rst
ixpk= 1323, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2183,2184,
igr2=2178,2179,
&end
#
# 137 GLN HE2+ 137 GLN HG- 5.50 (# 1324:20 Preassigned 2.15, 3.23 A)
&rst
ixpk= 1324, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2183,2184,
igr2=2178,2179,
&end
#
# 147 VAL HN 147 VAL HB 5.50 (# 1326:20 Preassigned 2.82, 3.68 A)
&rst
ixpk= 1326, nxpk= 20, iat=2324,2328, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 84 LYS HG- 83 GLU HB+ 5.50 (# 1328:20 Preassigned 3.90, 6.06 A)
&rst
ixpk= 1328, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1296,1297,
igr2=1278,1279,
&end
#
# 43 LYS HG+ 43 LYS HB- 4.00 (# 1329:20 Preassigned 2.23, 2.72 A)
&rst
ixpk= 1329, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1= 660, 661,
igr2= 657, 658,
&end
#
# 0 AMB 20-2:1330 43 LYS HB- 4.00 (# 1330:20 Single Ambig )
&rst
ixpk= 1330, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.87, r4= 6.62,
igr1= 660, 661, 960, 961, 962,
igr2= 657, 658,
&end
#
# 43 LYS HN 43 LYS HB- 5.50 (# 1331:20 Preassigned 2.22, 2.55 A)
&rst
ixpk= 1331, nxpk= 20, iat= 653, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 657, 658,
&end
#
# 83 GLU HG+ 83 GLU HB- 5.50 (# 1333:20 Preassigned 2.28, 2.73 A)
&rst
ixpk= 1333, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1281,1282,
igr2=1278,1279,
&end
#
# 97 MET HN 97 MET HG+ 5.50 (# 1335:20 Preassigned 2.29, 3.64 A)
&rst
ixpk= 1335, nxpk= 20, iat=1511, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1518,1519,
&end
#
# 0 AMB 20-2:1336 0 AMB 20-1:1336 5.50 (# 1336:20 Double Ambig )
&rst
ixpk= 1336, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1879,1880,1879,1880,
igr2=1876,1877,1876,1877,
&end
#
# 119 LYS HG- 0 AMB 20-1:1337 5.50 (# 1337:20 Single Ambig )
&rst
ixpk= 1337, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1879,1880,
igr2=1876,1877,1876,1877,
&end
#
# 44 GLY HN 43 LYS HB- 5.50 (# 1340:20 Preassigned 2.51, 3.77 A)
&rst
ixpk= 1340, nxpk= 20, iat= 675, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 657, 658,
&end
#
# 1 MET HG- 1 MET HB- 4.00 (# 1342:20 Preassigned 2.31, 2.66 A)
&rst
ixpk= 1342, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1= 11, 12,
igr2= 8, 9,
&end
#
# 1 MET HA 0 AMB 20-1:1343 4.00 (# 1343:20 Single Ambig )
&rst
ixpk= 1343, nxpk= 20, iat= 6, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr2= 8, 9, 8, 9,
&end
#
# 47 PRO HA 47 PRO HB+ 4.00 (# 1344:20 Preassigned 2.26, 2.66 A)
&rst
ixpk= 1344, nxpk= 20, iat= 714, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2= 711, 712,
&end
#
# 47 PRO HD+ 47 PRO HB+ 5.50 (# 1345:20 Preassigned 2.84, 3.68 A)
&rst
ixpk= 1345, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 705, 706,
igr2= 711, 712,
&end
#
# 0 AMB 20-2:1346 0 AMB 20-1:1346 5.50 (# 1346:20 Double Ambig )
&rst
ixpk= 1346, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 746,1585,
igr2= 711, 712,1518,1519,
&end
#
# 47 PRO HG+ 47 PRO HB+ 4.00 (# 1348:20 Preassigned 2.38, 2.63 A)
&rst
ixpk= 1348, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1= 708, 709,
igr2= 711, 712,
&end
#
# 47 PRO HG- 47 PRO HB+ 2.80 (# 1349:20 Preassigned 2.38, 2.63 A)
&rst
ixpk= 1349, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 708, 709,
igr2= 711, 712,
&end
#
# 94 ALA MB 97 MET HG- 4.00 (# 1350:20 Preassigned 2.28, 4.23 A)
&rst
ixpk= 1350, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1=1476,1477,1478,
igr2=1518,1519,
&end
#
# 97 MET HN 97 MET HG- 5.50 (# 1351:20 Preassigned 2.29, 3.64 A)
&rst
ixpk= 1351, nxpk= 20, iat=1511, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1518,1519,
&end
#
# 94 ALA MB 97 MET HG+ 5.50 (# 1354:20 Preassigned 2.28, 4.23 A)
&rst
ixpk= 1354, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1476,1477,1478,
igr2=1518,1519,
&end
#
# 101 VAL HN 101 VAL HB 4.00 (# 1355:20 Preassigned 2.25, 2.42 A)
&rst
ixpk= 1355, nxpk= 20, iat=1581,1585, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 0 AMB 20-2:1356 101 VAL HB 2.80 (# 1356:20 Single Ambig )
&rst
ixpk= 1356, nxpk= 20, iat= -1,1585, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1587,1588,1589,1591,1592,1593,1587,1588,1589,1591,
1592,1593,
&end
#
# 0 AMB 20-2:1357 101 VAL HB 4.00 (# 1357:20 Single Ambig )
&rst
ixpk= 1357, nxpk= 20, iat= -1,1585, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1=1587,1588,1589,1591,1592,1593,1587,1588,1589,1591,
1592,1593,
&end
#
# 101 VAL HA 101 VAL HB 5.50 (# 1358:20 Preassigned 2.61, 3.03 A)
&rst
ixpk= 1358, nxpk= 20, iat=1583,1585, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 28 PRO HA 28 PRO HB- 4.00 (# 1359:20 Preassigned 2.27, 2.58 A)
&rst
ixpk= 1359, nxpk= 20, iat= 456, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2= 453, 454,
&end
#
# 28 PRO HD+ 28 PRO HB- 5.50 (# 1361:20 Preassigned 2.82, 3.68 A)
&rst
ixpk= 1361, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 447, 448,
igr2= 453, 454,
&end
#
# 28 PRO HD- 28 PRO HB- 5.50 (# 1362:20 Preassigned 2.82, 3.68 A)
&rst
ixpk= 1362, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 447, 448,
igr2= 453, 454,
&end
#
# 0 AMB 20-2:1363 0 AMB 20-1:1363 5.50 (# 1363:20 Double Ambig )
&rst
ixpk= 1363, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 705, 706, 720,
igr2= 711, 712, 711, 712,
&end
#
# 4 ASN HA 31 LYS HB- 5.50 (# 1366:20 Preassigned 2.12, 3.49 A)
&rst
ixpk= 1366, nxpk= 20, iat= 57, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 498, 499,
&end
#
# 31 LYS HG- 31 LYS HB- 4.00 (# 1367:20 Preassigned 2.30, 2.72 A)
&rst
ixpk= 1367, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1= 501, 502,
igr2= 498, 499,
&end
#
# 112 GLU HN 112 GLU HB+ 5.50 (# 1368:20 Preassigned 2.16, 3.12 A)
&rst
ixpk= 1368, nxpk= 20, iat=1753, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1757,1758,
&end
#
# 114 PRO HD- 114 PRO HB+ 5.50 (# 1369:20 Preassigned 2.79, 3.68 A)
&rst
ixpk= 1369, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1788,1789,
igr2=1794,1795,
&end
#
# 112 GLU HA 112 GLU HB+ 5.50 (# 1370:20 Preassigned 2.35, 2.52 A)
&rst
ixpk= 1370, nxpk= 20, iat=1755, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1757,1758,
&end
#
# 0 AMB 20-2:1371 0 AMB 20-1:1371 5.50 (# 1371:20 Double Ambig )
&rst
ixpk= 1371, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 447, 448,1788,1789,
igr2= 453, 454,2002,
&end
#
# 127 VAL MGY 114 PRO HB+ 4.00 (# 1372:20 Unique 2.31, 4.93 A)
&rst
ixpk= 1372, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1=2004,2005,2006,2008,2009,2010,
igr2=1794,1795,
&end
#
# 123 THR MG2 114 PRO HB+ 5.50 (# 1373:20 Preassigned 3.50, 5.27 A)
&rst
ixpk= 1373, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1950,1951,1952,
igr2=1794,1795,
&end
#
# 28 PRO HA 28 PRO HB+ 2.80 (# 1374:20 Preassigned 2.27, 2.58 A)
&rst
ixpk= 1374, nxpk= 20, iat= 456, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 453, 454,
&end
#
# 28 PRO HD+ 28 PRO HB+ 5.50 (# 1376:20 Preassigned 2.82, 3.68 A)
&rst
ixpk= 1376, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 447, 448,
igr2= 453, 454,
&end
#
# 90 LEU MDX 101 VAL HB 5.50 (# 1377:20 Preassigned 4.10, 6.11 A)
&rst
ixpk= 1377, nxpk= 20, iat= -1,1585, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1419,1420,1421,1423,1424,1425,
&end
#
# 4 ASN HA 31 LYS HB+ 5.50 (# 1378:20 Preassigned 2.12, 3.49 A)
&rst
ixpk= 1378, nxpk= 20, iat= 57, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 498, 499,
&end
#
# 31 LYS HG- 31 LYS HB+ 4.00 (# 1379:20 Preassigned 2.30, 2.72 A)
&rst
ixpk= 1379, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1= 501, 502,
igr2= 498, 499,
&end
#
# 7 VAL HN 7 VAL HB 5.50 (# 1381:20 Preassigned 2.54, 2.77 A)
&rst
ixpk= 1381, nxpk= 20, iat= 107, 111, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 16 SER HA 7 VAL HB 5.50 (# 1382:20 Preassigned 2.67, 3.32 A)
&rst
ixpk= 1382, nxpk= 20, iat= 243, 111, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 16 SER HB- 7 VAL HB 5.50 (# 1383:20 Unique 2.39, 3.58 A)
&rst
ixpk= 1383, nxpk= 20, iat= -1, 111, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 245, 246,
&end
#
# 7 VAL MGX 7 VAL HB 4.00 (# 1384:20 Preassigned 2.36, 2.67 A)
&rst
ixpk= 1384, nxpk= 20, iat= -1, 111, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1= 113, 114, 115, 117, 118, 119,
&end
#
# 7 VAL MGY 7 VAL HB 4.00 (# 1385:20 Preassigned 2.36, 2.67 A)
&rst
ixpk= 1385, nxpk= 20, iat= -1, 111, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1= 113, 114, 115, 117, 118, 119,
&end
#
# 16 SER HB- 7 VAL HB 5.50 (# 1386:20 Unique 2.39, 3.58 A)
&rst
ixpk= 1386, nxpk= 20, iat= -1, 111, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 245, 246,
&end
#
# 7 VAL MGX 7 VAL HB 5.50 (# 1387:20 Preassigned 2.36, 2.67 A)
&rst
ixpk= 1387, nxpk= 20, iat= -1, 111, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 113, 114, 115, 117, 118, 119,
&end
#
# 7 VAL HA 7 VAL HB 5.50 (# 1388:20 Preassigned 2.38, 3.01 A)
&rst
ixpk= 1388, nxpk= 20, iat= 109, 111, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 7 VAL MGY 7 VAL HB 4.00 (# 1389:20 Preassigned 2.36, 2.67 A)
&rst
ixpk= 1389, nxpk= 20, iat= -1, 111, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1= 113, 114, 115, 117, 118, 119,
&end
#
# 106 HIS HD2 106 HIS HB- 7.00 (# 1390:20 Preassigned 2.55, 3.07 A)
&rst
ixpk= 1390, nxpk= 20, iat=1673, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1664,1665,
&end
#
# 102 MET HA 102 MET HG- 4.00 (# 1391:20 Preassigned 2.30, 3.03 A)
&rst
ixpk= 1391, nxpk= 20, iat=1599, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2=1604,1605,
&end
#
# 102 MET ME 102 MET HG- 4.00 (# 1392:20 Preassigned 2.40, 3.62 A)
&rst
ixpk= 1392, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1=1608,1609,1610,
igr2=1604,1605,
&end
#
# 0 AMB 20-2:1393 0 AMB 20-1:1393 5.50 (# 1393:20 Double Ambig )
&rst
ixpk= 1393, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.06, r4= 9.81,
igr1= 501, 502,1608,1609,1610,
igr2= 498, 499,1604,1605,
&end
#
# 31 LYS HG- 31 LYS HB- 4.00 (# 1394:20 Preassigned 2.30, 2.72 A)
&rst
ixpk= 1394, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1= 501, 502,
igr2= 498, 499,
&end
#
# 31 LYS HN 31 LYS HB- 4.00 (# 1396:20 Preassigned 2.17, 2.84 A)
&rst
ixpk= 1396, nxpk= 20, iat= 494, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2= 498, 499,
&end
#
# 31 LYS HG+ 31 LYS HB- 5.50 (# 1401:20 Preassigned 2.30, 2.72 A)
&rst
ixpk= 1401, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 501, 502,
igr2= 498, 499,
&end
#
# 127 VAL HA 127 VAL HB 7.00 (# 1402:20 Preassigned 2.38, 2.84 A)
&rst
ixpk= 1402, nxpk= 20, iat=2000,2002, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 0 AMB 20-2:1405 0 AMB 20-1:1405 4.00 (# 1405:20 Double Ambig )
&rst
ixpk= 1405, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
igr1=1601,1602,1734,1735,
igr2=1664,1665,1664,1665,
&end
#
# 0 AMB 20-2:1407 0 AMB 20-1:1407 5.50 (# 1407:20 Double Ambig )
&rst
ixpk= 1407, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 494,1677,
igr2= 498, 499,1664,1665,
&end
#
# 31 LYS HG+ 31 LYS HB+ 5.50 (# 1410:20 Preassigned 2.30, 2.72 A)
&rst
ixpk= 1410, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 501, 502,
igr2= 498, 499,
&end
#
# 31 LYS HG+ 31 LYS HB+ 5.50 (# 1411:20 Preassigned 2.30, 2.72 A)
&rst
ixpk= 1411, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 501, 502,
igr2= 498, 499,
&end
#
# 106 HIS HA 106 HIS HB- 5.50 (# 1412:20 Preassigned 2.38, 2.76 A)
&rst
ixpk= 1412, nxpk= 20, iat=1662, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1664,1665,
&end
#
# 106 HIS HN 106 HIS HB- 4.00 (# 1413:20 Preassigned 2.31, 2.55 A)
&rst
ixpk= 1413, nxpk= 20, iat=1660, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2=1664,1665,
&end
#
# 63 HIS HA 63 HIS HB- 5.50 (# 1415:20 Preassigned 2.45, 2.79 A)
&rst
ixpk= 1415, nxpk= 20, iat= 930, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 932, 933,
&end
#
# 67 GLN HA 67 GLN HG- 5.50 (# 1418:20 Preassigned 2.32, 3.12 A)
&rst
ixpk= 1418, nxpk= 20, iat= 992, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 997, 998,
&end
#
# 67 GLN HE2+ 67 GLN HG- 5.50 (# 1419:20 Preassigned 2.22, 3.25 A)
&rst
ixpk= 1419, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1002,1003,
igr2= 997, 998,
&end
#
# 78 LEU MDY 102 MET HG- 5.50 (# 1422:20 Unique 2.52, 5.87 A)
&rst
ixpk= 1422, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1195,1196,1197,1199,1200,1201,
igr2=1604,1605,
&end
#
# 102 MET HA 102 MET HG- 5.50 (# 1423:20 Preassigned 2.30, 3.03 A)
&rst
ixpk= 1423, nxpk= 20, iat=1599, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1604,1605,
&end
#
# 1 MET HA 1 MET HG- 5.50 (# 1424:20 Preassigned 2.33, 3.30 A)
&rst
ixpk= 1424, nxpk= 20, iat= 6, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 11, 12,
&end
#
# 1 MET HA 1 MET HG- 5.50 (# 1427:20 Preassigned 2.33, 3.30 A)
&rst
ixpk= 1427, nxpk= 20, iat= 6, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 11, 12,
&end
#
# 1 MET HA 1 MET HG+ 5.50 (# 1429:20 Preassigned 2.33, 3.30 A)
&rst
ixpk= 1429, nxpk= 20, iat= 6, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 11, 12,
&end
#
# 127 VAL HN 127 VAL HB 5.50 (# 1430:20 Preassigned 2.26, 2.75 A)
&rst
ixpk= 1430, nxpk= 20, iat=1998,2002, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 124 PHE HA 127 VAL HB 5.50 (# 1431:20 Preassigned 2.35, 3.40 A)
&rst
ixpk= 1431, nxpk= 20, iat=1960,2002, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 127 VAL MGX 127 VAL HB 2.80 (# 1432:20 Preassigned 2.36, 2.66 A)
&rst
ixpk= 1432, nxpk= 20, iat= -1,2002, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=2004,2005,2006,2008,2009,2010,
&end
#
# 127 VAL HN 127 VAL HB 5.50 (# 1433:20 Preassigned 2.26, 2.75 A)
&rst
ixpk= 1433, nxpk= 20, iat=1998,2002, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 49 ALA HA 52 VAL HB 5.50 (# 1436:20 Preassigned 2.87, 4.14 A)
&rst
ixpk= 1436, nxpk= 20, iat= 734, 776, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 52 VAL MGY 52 VAL HB 4.00 (# 1437:20 Preassigned 2.40, 2.66 A)
&rst
ixpk= 1437, nxpk= 20, iat= -1, 776, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1= 778, 779, 780, 782, 783, 784,
&end
#
# 53 ALA HN 52 VAL HB 5.50 (# 1438:20 Preassigned 2.64, 3.32 A)
&rst
ixpk= 1438, nxpk= 20, iat= 788, 776, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 106 HIS HN 106 HIS HB+ 5.50 (# 1441:20 Preassigned 2.31, 2.55 A)
&rst
ixpk= 1441, nxpk= 20, iat=1660, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1664,1665,
&end
#
# 63 HIS HN 63 HIS HB- 4.00 (# 1444:20 Preassigned 2.34, 2.83 A)
&rst
ixpk= 1444, nxpk= 20, iat= 928, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2= 932, 933,
&end
#
# 45 ALA MB 63 HIS HB- 5.50 (# 1445:20 Preassigned 2.17, 4.10 A)
&rst
ixpk= 1445, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 686, 687, 688,
igr2= 932, 933,
&end
#
# 67 GLN HE2- 67 GLN HG- 5.50 (# 1447:20 Preassigned 2.22, 3.25 A)
&rst
ixpk= 1447, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1002,1003,
igr2= 997, 998,
&end
#
# 67 GLN HB+ 67 GLN HG- 5.50 (# 1448:20 Preassigned 2.33, 2.68 A)
&rst
ixpk= 1448, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 994, 995,
igr2= 997, 998,
&end
#
# 67 GLN HB- 67 GLN HG- 5.50 (# 1449:20 Preassigned 2.33, 2.68 A)
&rst
ixpk= 1449, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 994, 995,
igr2= 997, 998,
&end
#
# 95 PRO HA 95 PRO HB- 4.00 (# 1450:20 Preassigned 2.28, 2.55 A)
&rst
ixpk= 1450, nxpk= 20, iat=1492, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2=1489,1490,
&end
#
# 95 PRO HD- 95 PRO HB- 5.50 (# 1451:20 Preassigned 2.82, 3.69 A)
&rst
ixpk= 1451, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1483,1484,
igr2=1489,1490,
&end
#
# 0 AMB 20-2:1452 95 PRO HB- 5.50 (# 1452:20 Single Ambig )
&rst
ixpk= 1452, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1483,1484,1538,1539,
igr2=1489,1490,
&end
#
# 53 ALA HN 52 VAL HB 5.50 (# 1454:20 Preassigned 2.64, 3.32 A)
&rst
ixpk= 1454, nxpk= 20, iat= 788, 776, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 52 VAL HA 52 VAL HB 5.50 (# 1455:20 Preassigned 2.41, 2.74 A)
&rst
ixpk= 1455, nxpk= 20, iat= 774, 776, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 84 LYS HN 84 LYS HB- 5.50 (# 1456:20 Preassigned 2.39, 2.90 A)
&rst
ixpk= 1456, nxpk= 20, iat=1289, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1293,1294,
&end
#
# 93 MET HB- 93 MET HG- 5.50 (# 1457:20 Preassigned 2.36, 2.75 A)
&rst
ixpk= 1457, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1459,1460,
igr2=1462,1463,
&end
#
# 93 MET HB+ 93 MET HG- 4.00 (# 1458:20 Preassigned 2.36, 2.75 A)
&rst
ixpk= 1458, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=1459,1460,
igr2=1462,1463,
&end
#
# 93 MET HA 93 MET HG- 5.50 (# 1459:20 Preassigned 2.33, 2.83 A)
&rst
ixpk= 1459, nxpk= 20, iat=1457, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1462,1463,
&end
#
# 93 MET ME 93 MET HG- 5.50 (# 1461:20 Preassigned 2.50, 3.72 A)
&rst
ixpk= 1461, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1466,1467,1468,
igr2=1462,1463,
&end
#
# 93 MET HB- 93 MET HG- 5.50 (# 1462:20 Preassigned 2.36, 2.75 A)
&rst
ixpk= 1462, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1459,1460,
igr2=1462,1463,
&end
#
# 93 MET HN 93 MET HG- 5.50 (# 1463:20 Preassigned 2.40, 3.12 A)
&rst
ixpk= 1463, nxpk= 20, iat=1455, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1462,1463,
&end
#
# 90 LEU HA 93 MET HG+ 5.50 (# 1464:20 Preassigned 2.05, 4.11 A)
&rst
ixpk= 1464, nxpk= 20, iat=1412, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1462,1463,
&end
#
# 94 ALA HN 93 MET HG+ 5.50 (# 1465:20 Preassigned 2.67, 4.75 A)
&rst
ixpk= 1465, nxpk= 20, iat=1472, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1462,1463,
&end
#
# 93 MET HB- 93 MET HG+ 2.80 (# 1466:20 Preassigned 2.36, 2.75 A)
&rst
ixpk= 1466, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1459,1460,
igr2=1462,1463,
&end
#
# 94 ALA MB 93 MET HG+ 5.50 (# 1467:20 Preassigned 2.62, 6.58 A)
&rst
ixpk= 1467, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1476,1477,1478,
igr2=1462,1463,
&end
#
# 93 MET HA 93 MET HG+ 5.50 (# 1468:20 Preassigned 2.33, 2.83 A)
&rst
ixpk= 1468, nxpk= 20, iat=1457, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1462,1463,
&end
#
# 93 MET HN 93 MET HG+ 5.50 (# 1469:20 Preassigned 2.40, 3.12 A)
&rst
ixpk= 1469, nxpk= 20, iat=1455, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1462,1463,
&end
#
# 0 AMB 20-2:1470 84 LYS HB- 4.00 (# 1470:20 Single Ambig )
&rst
ixpk= 1470, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
igr1=1296,1297,1296,1297,
igr2=1293,1294,
&end
#
# 30 LEU MDX 27 HIS HB+ 5.50 (# 1477:20 Preassigned 2.34, 4.98 A)
&rst
ixpk= 1477, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 484, 485, 486, 488, 489, 490,
igr2= 433, 434,
&end
#
# 27 HIS HA 27 HIS HB- 5.50 (# 1480:20 Preassigned 2.39, 2.80 A)
&rst
ixpk= 1480, nxpk= 20, iat= 431, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 433, 434,
&end
#
# 30 LEU HB+ 27 HIS HB- 5.50 (# 1481:20 Preassigned 2.22, 3.48 A)
&rst
ixpk= 1481, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 479, 480,
igr2= 433, 434,
&end
#
# 37 LEU MDY 0 AMB 20-1:1482 5.50 (# 1482:20 Single Ambig )
&rst
ixpk= 1482, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 584, 585, 586, 588, 589, 590,
igr2=1390,1391,1390,1391,
&end
#
# 134 SER HN 0 AMB 20-1:1483 7.00 (# 1483:20 Single Ambig )
&rst
ixpk= 1483, nxpk= 20, iat=2126, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr2=2106,2107,2106,2107,
&end
#
# 37 LEU MDX 0 AMB 20-1:1485 5.50 (# 1485:20 Single Ambig )
&rst
ixpk= 1485, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 584, 585, 586, 588, 589, 590,
igr2=1390,1391,1390,1391,
&end
#
# 37 LEU MDY 0 AMB 20-1:1486 5.50 (# 1486:20 Single Ambig )
&rst
ixpk= 1486, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 584, 585, 586, 588, 589, 590,
igr2=1390,1391,1390,1391,
&end
#
# 20 GLU HN 20 GLU HB- 7.00 (# 1488:20 Unique 2.13, 2.94 A)
&rst
ixpk= 1488, nxpk= 20, iat= 290, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 294, 295,
&end
#
# 0 AMB 20-2:1492 74 ARG HB- 4.00 (# 1492:20 Single Ambig )
&rst
ixpk= 1492, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
igr1=1125,1126,1071,1072,
igr2=1119,1120,
&end
#
# 116 PRO HA 116 PRO HB+ 5.50 (# 1496:20 Unique 2.33, 2.53 A)
&rst
ixpk= 1496, nxpk= 20, iat=1823, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1820,1821,
&end
#
# 27 HIS HA 27 HIS HB- 5.50 (# 1498:20 Preassigned 2.39, 2.80 A)
&rst
ixpk= 1498, nxpk= 20, iat= 431, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 433, 434,
&end
#
# 27 HIS HN 27 HIS HB- 5.50 (# 1499:20 Preassigned 2.60, 3.21 A)
&rst
ixpk= 1499, nxpk= 20, iat= 429, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 433, 434,
&end
#
# 30 LEU MDX 27 HIS HB- 5.50 (# 1501:20 Preassigned 2.34, 4.98 A)
&rst
ixpk= 1501, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 484, 485, 486, 488, 489, 490,
igr2= 433, 434,
&end
#
# 133 ARG HA 0 AMB 20-1:1502 2.80 (# 1502:20 Single Ambig )
&rst
ixpk= 1502, nxpk= 20, iat=2104, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2=2106,2107,2106,2107,
&end
#
# 132 GLU HA 0 AMB 20-1:1503 5.50 (# 1503:20 Single Ambig )
&rst
ixpk= 1503, nxpk= 20, iat=2089, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=2106,2107,2106,2107,
&end
#
# 133 ARG HD- 0 AMB 20-1:1504 5.50 (# 1504:20 Single Ambig )
&rst
ixpk= 1504, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=2112,2113,
igr2=2106,2107,2106,2107,
&end
#
# 74 ARG HN 74 ARG HB+ 5.50 (# 1506:20 Preassigned 2.21, 2.88 A)
&rst
ixpk= 1506, nxpk= 20, iat=1115, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1119,1120,
&end
#
# 89 ARG HA 0 AMB 20-1:1507 4.00 (# 1507:20 Single Ambig )
&rst
ixpk= 1507, nxpk= 20, iat=1388, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr2=1390,1391,1390,1391,
&end
#
# 89 ARG HD- 0 AMB 20-1:1508 4.00 (# 1508:20 Single Ambig )
&rst
ixpk= 1508, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
igr1=1396,1397,
igr2=1390,1391,1390,1391,
&end
#
# 0 AMB 20-2:1509 0 AMB 20-1:1509 5.50 (# 1509:20 Double Ambig )
&rst
ixpk= 1509, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=2072,2073,2072,2073,
igr2=2106,2107,2106,2107,
&end
#
# 145 GLU HA 145 GLU HB- 4.00 (# 1510:20 Preassigned 2.34, 2.70 A)
&rst
ixpk= 1510, nxpk= 20, iat=2294, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2=2296,2297,
&end
#
# 70 ARG HA 0 AMB 20-1:1511 5.50 (# 1511:20 Single Ambig )
&rst
ixpk= 1511, nxpk= 20, iat=1039, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1041,1042,1041,1042,
&end
#
# 70 ARG HG- 0 AMB 20-1:1512 4.00 (# 1512:20 Single Ambig )
&rst
ixpk= 1512, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
igr1=1044,1045,
igr2=1041,1042,1041,1042,
&end
#
# 70 ARG HA 0 AMB 20-1:1513 5.50 (# 1513:20 Single Ambig )
&rst
ixpk= 1513, nxpk= 20, iat=1039, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1041,1042,1041,1042,
&end
#
# 20 GLU HN 20 GLU HB- 5.50 (# 1514:20 Preassigned 2.13, 2.94 A)
&rst
ixpk= 1514, nxpk= 20, iat= 290, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 294, 295,
&end
#
# 50 ILE HN 50 ILE HG1+ 5.50 (# 1517:20 Preassigned 2.09, 2.88 A)
&rst
ixpk= 1517, nxpk= 20, iat= 742, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 752, 753,
&end
#
# 127 VAL MGY 116 PRO HB- 4.00 (# 1519:20 Preassigned 2.31, 4.37 A)
&rst
ixpk= 1519, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1=2004,2005,2006,2008,2009,2010,
igr2=1820,1821,
&end
#
# 116 PRO HA 116 PRO HB- 5.50 (# 1520:20 Unique 2.33, 2.53 A)
&rst
ixpk= 1520, nxpk= 20, iat=1823, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1820,1821,
&end
#
# 94 ALA MB 70 ARG HB- 5.50 (# 1521:20 Preassigned 3.07, 5.55 A)
&rst
ixpk= 1521, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1476,1477,1478,
igr2=1041,1042,
&end
#
# 0 AMB 20-2:1523 145 GLU HB- 2.80 (# 1523:20 Single Ambig )
&rst
ixpk= 1523, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=2307,2292,
igr2=2296,2297,
&end
#
# 74 ARG HD+ 74 ARG HB+ 4.00 (# 1524:20 Preassigned 2.36, 3.06 A)
&rst
ixpk= 1524, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=1125,1126,
igr2=1119,1120,
&end
#
# 0 AMB 20-2:1529 0 AMB 20-1:1529 2.80 (# 1529:20 Double Ambig )
&rst
ixpk= 1529, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1071,1072, 315, 316,
igr2=1065,1066, 910, 911,
&end
#
# 0 AMB 20-2:1530 0 AMB 20-1:1530 5.50 (# 1530:20 Double Ambig )
&rst
ixpk= 1530, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=2157,2158,2157,2158,
igr2=2151,2152,2151,2152,
&end
#
# 136 ARG HG+ 136 ARG HB+ 5.50 (# 1531:20 Preassigned 2.25, 2.72 A)
&rst
ixpk= 1531, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2154,2155,
igr2=2151,2152,
&end
#
# 22 LEU MDX 136 ARG HB+ 5.50 (# 1532:20 Preassigned 4.35, 7.32 A)
&rst
ixpk= 1532, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 338, 339, 340, 342, 343, 344,
igr2=2151,2152,
&end
#
# 72 LEU MDX 71 ARG HB- 5.50 (# 1533:20 Preassigned 2.97, 6.36 A)
&rst
ixpk= 1533, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1094,1095,1096,1098,1099,1100,
igr2=1065,1066,
&end
#
# 0 AMB 20-2:1534 0 AMB 20-1:1534 4.00 (# 1534:20 Double Ambig )
&rst
ixpk= 1534, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
igr1=1071,1072, 315, 316,
igr2=1065,1066, 910, 911,
&end
#
# 136 ARG HG+ 136 ARG HB+ 5.50 (# 1535:20 Preassigned 2.25, 2.72 A)
&rst
ixpk= 1535, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2154,2155,
igr2=2151,2152,
&end
#
# 136 ARG HG+ 136 ARG HB- 4.00 (# 1536:20 Preassigned 2.25, 2.72 A)
&rst
ixpk= 1536, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=2154,2155,
igr2=2151,2152,
&end
#
# 50 ILE HA 50 ILE HG1+ 5.50 (# 1537:20 Preassigned 2.43, 2.73 A)
&rst
ixpk= 1537, nxpk= 20, iat= 744, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 752, 753,
&end
#
# 0 AMB 20-2:1538 0 AMB 20-1:1538 5.50 (# 1538:20 Double Ambig )
&rst
ixpk= 1538, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1= 896, 897, 898, 900, 901, 902, 896, 897, 898, 900,
901, 902,
igr2= 752, 753, 752, 753,
&end
#
# 45 ALA MB 50 ILE HG1+ 5.50 (# 1539:20 Preassigned 2.46, 3.57 A)
&rst
ixpk= 1539, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 686, 687, 688,
igr2= 752, 753,
&end
#
# 50 ILE QG2 50 ILE HG1+ 5.50 (# 1540:20 Preassigned 2.47, 3.52 A)
&rst
ixpk= 1540, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 748, 749, 750,
igr2= 752, 753,
&end
#
# 50 ILE QD1 50 ILE HG1+ 5.50 (# 1542:20 Preassigned 2.37, 2.66 A)
&rst
ixpk= 1542, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 755, 756, 757,
igr2= 752, 753,
&end
#
# 68 ILE HA 68 ILE HG1- 4.00 (# 1543:20 Preassigned 2.25, 3.12 A)
&rst
ixpk= 1543, nxpk= 20, iat=1009, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2=1017,1018,
&end
#
# 0 AMB 20-2:1544 68 ILE HG1- 2.80 (# 1544:20 Single Ambig )
&rst
ixpk= 1544, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1419,1420,1421,1423,1424,1425,1020,1021,1022,
igr2=1017,1018,
&end
#
# 69 SER HN 68 ILE HG1- 4.00 (# 1545:20 Preassigned 2.18, 2.95 A)
&rst
ixpk= 1545, nxpk= 20, iat=1026, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2=1017,1018,
&end
#
# 8 VAL MGX 68 ILE HG1- 4.00 (# 1546:20 Preassigned 2.34, 4.88 A)
&rst
ixpk= 1546, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1= 129, 130, 131, 133, 134, 135,
igr2=1017,1018,
&end
#
# 8 VAL MGX 68 ILE HG1+ 5.50 (# 1547:20 Preassigned 2.34, 4.88 A)
&rst
ixpk= 1547, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 129, 130, 131, 133, 134, 135,
igr2=1017,1018,
&end
#
# 68 ILE HA 68 ILE HG1+ 5.50 (# 1548:20 Preassigned 2.25, 3.12 A)
&rst
ixpk= 1548, nxpk= 20, iat=1009, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1017,1018,
&end
#
# 69 SER HN 68 ILE HG1+ 5.50 (# 1549:20 Preassigned 2.18, 2.95 A)
&rst
ixpk= 1549, nxpk= 20, iat=1026, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1017,1018,
&end
#
# 0 AMB 20-2:1550 0 AMB 20-1:1550 2.80 (# 1550:20 Double Ambig )
&rst
ixpk= 1550, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1419,1420,1421,1423,1424,1425,1020,1021,1022,
igr2=1017,1018,1017,1018,
&end
#
# 68 ILE HA 68 ILE HG1+ 5.50 (# 1551:20 Preassigned 2.25, 3.12 A)
&rst
ixpk= 1551, nxpk= 20, iat=1009, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1017,1018,
&end
#
# 147 VAL HN 146 GLN HB+ 5.50 (# 1554:20 Preassigned 1.97, 3.32 A)
&rst
ixpk= 1554, nxpk= 20, iat=2324, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2311,2312,
&end
#
# 92 GLU HG- 92 GLU HB+ 2.80 (# 1555:20 Preassigned 2.31, 2.67 A)
&rst
ixpk= 1555, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1447,1448,
igr2=1444,1445,
&end
#
# 55 GLU HN 55 GLU HB+ 4.00 (# 1557:20 Preassigned 2.14, 2.64 A)
&rst
ixpk= 1557, nxpk= 20, iat= 808, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2= 812, 813,
&end
#
# 0 AMB 20-2:1563 61 GLU HB- 4.00 (# 1563:20 Single Ambig )
&rst
ixpk= 1563, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
igr1= 913, 914, 913, 914,
igr2= 910, 911,
&end
#
# 0 AMB 20-2:1566 0 AMB 20-1:1566 2.80 (# 1566:20 Double Ambig )
&rst
ixpk= 1566, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=2147, 906,
igr2=2151,2152, 910, 911,
&end
#
# 0 AMB 20-2:1567 0 AMB 20-1:1567 4.00 (# 1567:20 Double Ambig )
&rst
ixpk= 1567, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
igr1=2171,1085,
igr2=2151,2152,1065,1066,
&end
#
# 71 ARG HA 71 ARG HB- 4.00 (# 1568:20 Preassigned 2.43, 2.74 A)
&rst
ixpk= 1568, nxpk= 20, iat=1063, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2=1065,1066,
&end
#
# 0 AMB 20-2:1569 0 AMB 20-1:1569 5.50 (# 1569:20 Double Ambig )
&rst
ixpk= 1569, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=2157,2158,2157,2158,
igr2=2151,2152,2151,2152,
&end
#
# 0 AMB 20-2:1570 0 AMB 20-1:1570 5.50 (# 1570:20 Double Ambig )
&rst
ixpk= 1570, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 394, 395, 394, 395,
igr2= 388, 389, 388, 389,
&end
#
# 136 ARG HA 136 ARG HB+ 5.50 (# 1572:20 Preassigned 2.29, 2.73 A)
&rst
ixpk= 1572, nxpk= 20, iat=2149, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2151,2152,
&end
#
# 0 AMB 20-2:1573 0 AMB 20-1:1573 4.00 (# 1573:20 Double Ambig )
&rst
ixpk= 1573, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
igr1= 391, 392, 391, 392,
igr2= 388, 389, 388, 389,
&end
#
# 25 ARG HN 0 AMB 20-1:1574 2.80 (# 1574:20 Single Ambig )
&rst
ixpk= 1574, nxpk= 20, iat= 384, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2= 388, 389, 388, 389,
&end
#
# 0 AMB 20-2:1575 0 AMB 20-1:1575 5.50 (# 1575:20 Double Ambig )
&rst
ixpk= 1575, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 394, 395, 394, 395,
igr2= 388, 389, 388, 389,
&end
#
# 136 ARG HN 136 ARG HB- 5.50 (# 1579:20 Preassigned 2.19, 2.71 A)
&rst
ixpk= 1579, nxpk= 20, iat=2147, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2151,2152,
&end
#
# 136 ARG HA 136 ARG HB- 4.00 (# 1581:20 Preassigned 2.29, 2.73 A)
&rst
ixpk= 1581, nxpk= 20, iat=2149, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2=2151,2152,
&end
#
# 136 ARG HD- 136 ARG HB- 5.50 (# 1582:20 Preassigned 2.35, 3.18 A)
&rst
ixpk= 1582, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2157,2158,
igr2=2151,2152,
&end
#
# 71 ARG HA 71 ARG HB+ 4.00 (# 1585:20 Preassigned 2.43, 2.74 A)
&rst
ixpk= 1585, nxpk= 20, iat=1063, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2=1065,1066,
&end
#
# 68 ILE HA 68 ILE HG1+ 5.50 (# 1587:20 Preassigned 2.25, 3.12 A)
&rst
ixpk= 1587, nxpk= 20, iat=1009, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1017,1018,
&end
#
# 87 ILE QG2 0 AMB 20-1:1591 5.50 (# 1591:20 Single Ambig )
&rst
ixpk= 1591, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1358,1359,1360,
igr2=1375,1376,1375,1376,
&end
#
# 146 GLN HN 146 GLN HB+ 4.00 (# 1592:20 Preassigned 2.28, 3.29 A)
&rst
ixpk= 1592, nxpk= 20, iat=2307, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2=2311,2312,
&end
#
# 92 GLU HN 92 GLU HB+ 4.00 (# 1594:20 Preassigned 2.32, 2.61 A)
&rst
ixpk= 1594, nxpk= 20, iat=1440, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2=1444,1445,
&end
#
# 144 ALA MB 146 GLN HB- 5.50 (# 1599:20 Preassigned 3.02, 6.58 A)
&rst
ixpk= 1599, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2286,2287,2288,
igr2=2311,2312,
&end
#
# 55 GLU HA 55 GLU HB- 5.50 (# 1600:20 Preassigned 2.45, 2.79 A)
&rst
ixpk= 1600, nxpk= 20, iat= 810, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 812, 813,
&end
#
# 60 LEU HN 61 GLU HB- 5.50 (# 1601:20 Preassigned 4.07, 5.38 A)
&rst
ixpk= 1601, nxpk= 20, iat= 887, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 910, 911,
&end
#
# 0 AMB 20-2:1604 85 ARG HB- 4.00 (# 1604:20 Single Ambig )
&rst
ixpk= 1604, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
igr1=1375,1376,1375,1376,
igr2=1315,1316,
&end
#
# 71 ARG HN 71 ARG HB+ 5.50 (# 1605:20 Preassigned 2.42, 2.65 A)
&rst
ixpk= 1605, nxpk= 20, iat=1061, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1065,1066,
&end
#
# 85 ARG HA 0 AMB 20-1:1607 5.50 (# 1607:20 Single Ambig )
&rst
ixpk= 1607, nxpk= 20, iat=1313, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1375,1376,1375,1376,
&end
#
# 0 AMB 20-2:1608 0 AMB 20-1:1608 4.00 (# 1608:20 Double Ambig )
&rst
ixpk= 1608, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
igr1=2314,2315,2314,2315,
igr2=2311,2312,2311,2312,
&end
#
# 55 GLU HN 55 GLU HB- 4.00 (# 1609:20 Preassigned 2.14, 2.64 A)
&rst
ixpk= 1609, nxpk= 20, iat= 808, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2= 812, 813,
&end
#
# 84 LYS HE+ 84 LYS HD+ 5.50 (# 1613:20 Preassigned 2.23, 2.71 A)
&rst
ixpk= 1613, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1302,1303,
igr2=1299,1300,
&end
#
# 0 AMB 20-2:1614 0 AMB 20-1:1614 2.80 (# 1614:20 Double Ambig )
&rst
ixpk= 1614, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1296,1297,1296,1297,
igr2=1299,1300,1299,1300,
&end
#
# 84 LYS HE+ 84 LYS HD+ 5.50 (# 1615:20 Preassigned 2.23, 2.71 A)
&rst
ixpk= 1615, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1302,1303,
igr2=1299,1300,
&end
#
# 138 TRP HN 138 TRP HB- 5.50 (# 1616:20 Preassigned 2.15, 2.92 A)
&rst
ixpk= 1616, nxpk= 20, iat=2188, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2192,2193,
&end
#
# 138 TRP HA 138 TRP HB- 5.50 (# 1617:20 Preassigned 2.55, 2.83 A)
&rst
ixpk= 1617, nxpk= 20, iat=2190, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2192,2193,
&end
#
# 56 HIS HN 56 HIS HB- 5.50 (# 1619:20 Preassigned 2.29, 3.03 A)
&rst
ixpk= 1619, nxpk= 20, iat= 823, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 827, 828,
&end
#
# 56 HIS HA 56 HIS HB- 5.50 (# 1622:20 Preassigned 2.44, 2.77 A)
&rst
ixpk= 1622, nxpk= 20, iat= 825, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 827, 828,
&end
#
# 56 HIS HA 56 HIS HB+ 5.50 (# 1626:20 Preassigned 2.44, 2.77 A)
&rst
ixpk= 1626, nxpk= 20, iat= 825, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 827, 828,
&end
#
# 87 ILE HN 87 ILE HG1+ 5.50 (# 1627:20 Preassigned 2.01, 2.91 A)
&rst
ixpk= 1627, nxpk= 20, iat=1352, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1362,1363,
&end
#
# 43 LYS HE- 0 AMB 20-1:1628 2.80 (# 1628:20 Single Ambig )
&rst
ixpk= 1628, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 666, 667,
igr2= 663, 664, 663, 664,
&end
#
# 103 LEU HB+ 87 ILE HG1+ 4.00 (# 1629:20 Preassigned 2.62, 4.31 A)
&rst
ixpk= 1629, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=1618,1619,
igr2=1362,1363,
&end
#
# 87 ILE HA 87 ILE HG1- 5.50 (# 1633:20 Preassigned 3.06, 3.50 A)
&rst
ixpk= 1633, nxpk= 20, iat=1354, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1362,1363,
&end
#
# 81 THR MG2 87 ILE HG1- 5.50 (# 1635:20 Preassigned 2.79, 4.69 A)
&rst
ixpk= 1635, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1249,1250,1251,
igr2=1362,1363,
&end
#
# 56 HIS HN 56 HIS HB+ 5.50 (# 1639:20 Preassigned 2.29, 3.03 A)
&rst
ixpk= 1639, nxpk= 20, iat= 823, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 827, 828,
&end
#
# 141 ALA MB 140 GLN HB- 5.50 (# 1641:20 Preassigned 4.28, 6.22 A)
&rst
ixpk= 1641, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2243,2244,2245,
igr2=2226,2227,
&end
#
# 141 ALA HN 140 GLN HB- 4.00 (# 1642:20 Preassigned 2.66, 3.64 A)
&rst
ixpk= 1642, nxpk= 20, iat=2239, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2=2226,2227,
&end
#
# 140 GLN HG- 140 GLN HB- 2.80 (# 1643:20 Preassigned 2.31, 2.65 A)
&rst
ixpk= 1643, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=2229,2230,
igr2=2226,2227,
&end
#
# 45 ALA HN 0 AMB 20-1:1644 7.00 (# 1644:20 Single Ambig )
&rst
ixpk= 1644, nxpk= 20, iat= 682, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr2= 663, 664, 663, 664,
&end
#
# 43 LYS HN 0 AMB 20-1:1646 5.50 (# 1646:20 Single Ambig )
&rst
ixpk= 1646, nxpk= 20, iat= 653, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 663, 664, 663, 664,
&end
#
# 43 LYS HA 0 AMB 20-1:1647 4.00 (# 1647:20 Single Ambig )
&rst
ixpk= 1647, nxpk= 20, iat= 655, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr2= 663, 664, 663, 664,
&end
#
# 44 GLY HN 0 AMB 20-1:1649 4.00 (# 1649:20 Single Ambig )
&rst
ixpk= 1649, nxpk= 20, iat= 675, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr2= 663, 664, 663, 664,
&end
#
# 116 PRO HA 119 LYS HD+ 5.50 (# 1650:20 Preassigned 2.29, 4.44 A)
&rst
ixpk= 1650, nxpk= 20, iat=1823, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1882,1883,
&end
#
# 119 LYS HG- 119 LYS HD+ 4.00 (# 1653:20 Preassigned 2.29, 2.66 A)
&rst
ixpk= 1653, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=1879,1880,
igr2=1882,1883,
&end
#
# 0 AMB 20-2:1654 0 AMB 20-1:1654 4.00 (# 1654:20 Double Ambig )
&rst
ixpk= 1654, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.59, r4= 7.34,
igr1=1950,1951,1952,1820,1821,
igr2=1882,1883,1882,1883,
&end
#
# 121 ARG HB- 121 ARG HG+ 5.50 (# 1655:20 Preassigned 2.29, 2.74 A)
&rst
ixpk= 1655, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1909,1910,
igr2=1912,1913,
&end
#
# 121 ARG HD+ 121 ARG HG+ 5.50 (# 1656:20 Preassigned 2.35, 2.70 A)
&rst
ixpk= 1656, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1915,1916,
igr2=1912,1913,
&end
#
# 17 PRO HA 17 PRO HB+ 5.50 (# 1657:20 Preassigned 2.23, 2.59 A)
&rst
ixpk= 1657, nxpk= 20, iat= 262, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 259, 260,
&end
#
# 60 LEU MDY 17 PRO HB+ 5.50 (# 1658:20 Preassigned 2.14, 3.68 A)
&rst
ixpk= 1658, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 896, 897, 898, 900, 901, 902,
igr2= 259, 260,
&end
#
# 17 PRO HG+ 17 PRO HB+ 4.00 (# 1660:20 Preassigned 2.23, 2.60 A)
&rst
ixpk= 1660, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1= 256, 257,
igr2= 259, 260,
&end
#
# 17 PRO HG+ 17 PRO HB- 5.50 (# 1661:20 Preassigned 2.23, 2.60 A)
&rst
ixpk= 1661, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 256, 257,
igr2= 259, 260,
&end
#
# 17 PRO HA 17 PRO HB- 5.50 (# 1662:20 Preassigned 2.23, 2.59 A)
&rst
ixpk= 1662, nxpk= 20, iat= 262, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 259, 260,
&end
#
# 65 ALA HN 64 CYS HB+ 5.50 (# 1664:20 Preassigned 2.73, 3.71 A)
&rst
ixpk= 1664, nxpk= 20, iat= 956, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 949, 950,
&end
#
# 64 CYS HA 64 CYS HB+ 4.00 (# 1665:20 Preassigned 2.36, 2.78 A)
&rst
ixpk= 1665, nxpk= 20, iat= 947, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2= 949, 950,
&end
#
# 63 HIS HA 64 CYS HB+ 7.00 (# 1667:20 Preassigned 4.21, 4.98 A)
&rst
ixpk= 1667, nxpk= 20, iat= 930, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 949, 950,
&end
#
# 140 GLN HA 140 GLN HB- 4.00 (# 1668:20 Preassigned 2.20, 2.68 A)
&rst
ixpk= 1668, nxpk= 20, iat=2224, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2=2226,2227,
&end
#
# 140 GLN HN 140 GLN HB- 4.00 (# 1669:20 Preassigned 2.09, 2.67 A)
&rst
ixpk= 1669, nxpk= 20, iat=2222, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2=2226,2227,
&end
#
# 140 GLN HA 140 GLN HB- 4.00 (# 1670:20 Preassigned 2.20, 2.68 A)
&rst
ixpk= 1670, nxpk= 20, iat=2224, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2=2226,2227,
&end
#
# 5 ILE HA 5 ILE HG1+ 5.50 (# 1672:20 Preassigned 2.41, 3.05 A)
&rst
ixpk= 1672, nxpk= 20, iat= 71, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 79, 80,
&end
#
# 121 ARG HB+ 121 ARG HG+ 2.80 (# 1673:20 Preassigned 2.29, 2.74 A)
&rst
ixpk= 1673, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1909,1910,
igr2=1912,1913,
&end
#
# 121 ARG HA 121 ARG HG+ 5.50 (# 1674:20 Preassigned 2.43, 2.95 A)
&rst
ixpk= 1674, nxpk= 20, iat=1907, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1912,1913,
&end
#
# 64 CYS HN 64 CYS HB+ 5.50 (# 1680:20 Preassigned 2.75, 3.33 A)
&rst
ixpk= 1680, nxpk= 20, iat= 945, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 949, 950,
&end
#
# 64 CYS HN 64 CYS HB- 5.50 (# 1682:20 Preassigned 2.75, 3.33 A)
&rst
ixpk= 1682, nxpk= 20, iat= 945, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 949, 950,
&end
#
# 63 HIS HA 64 CYS HB- 5.50 (# 1683:20 Preassigned 4.21, 4.98 A)
&rst
ixpk= 1683, nxpk= 20, iat= 930, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 949, 950,
&end
#
# 64 CYS HA 64 CYS HB- 5.50 (# 1684:20 Preassigned 2.36, 2.78 A)
&rst
ixpk= 1684, nxpk= 20, iat= 947, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 949, 950,
&end
#
# 65 ALA HN 64 CYS HB- 5.50 (# 1686:20 Preassigned 2.73, 3.71 A)
&rst
ixpk= 1686, nxpk= 20, iat= 956, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 949, 950,
&end
#
# 26 TYR HE 136 ARG HG- 5.50 (# 1689:20 Preassigned 2.71, 5.00 A)
&rst
ixpk= 1689, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 418, 423,
igr2=2154,2155,
&end
#
# 0 AMB 20-2:1690 136 ARG HG- 4.00 (# 1690:20 Single Ambig )
&rst
ixpk= 1690, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
igr1=2157,2158,2157,2158,
igr2=2154,2155,
&end
#
# 136 ARG HB+ 136 ARG HG- 4.00 (# 1694:20 Preassigned 2.25, 2.72 A)
&rst
ixpk= 1694, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=2151,2152,
igr2=2154,2155,
&end
#
# 136 ARG HN 136 ARG HG- 5.50 (# 1695:20 Preassigned 2.36, 3.93 A)
&rst
ixpk= 1695, nxpk= 20, iat=2147, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2154,2155,
&end
#
# 136 ARG HA 136 ARG HG- 5.50 (# 1698:20 Preassigned 2.36, 3.15 A)
&rst
ixpk= 1698, nxpk= 20, iat=2149, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2154,2155,
&end
#
# 5 ILE HB 5 ILE HG1+ 5.50 (# 1702:20 Preassigned 2.36, 2.71 A)
&rst
ixpk= 1702, nxpk= 20, iat= 73, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 79, 80,
&end
#
# 5 ILE HN 5 ILE HG1+ 5.50 (# 1704:20 Preassigned 2.25, 3.45 A)
&rst
ixpk= 1704, nxpk= 20, iat= 69, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 79, 80,
&end
#
# 5 ILE HB 5 ILE HG1+ 5.50 (# 1705:20 Preassigned 2.36, 2.71 A)
&rst
ixpk= 1705, nxpk= 20, iat= 73, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 79, 80,
&end
#
# 0 AMB 20-2:1706 0 AMB 20-1:1706 5.50 (# 1706:20 Double Ambig )
&rst
ixpk= 1706, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.58, r4=10.33,
igr1=1193, 357, 358, 359, 361, 362, 363,
igr2= 79, 80, 79, 80,
&end
#
# 32 VAL MGX 5 ILE HG1+ 5.50 (# 1708:20 Preassigned 3.05, 5.75 A)
&rst
ixpk= 1708, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 522, 523, 524, 526, 527, 528,
igr2= 79, 80,
&end
#
# 0 AMB 20-2:1709 0 AMB 20-1:1709 5.50 (# 1709:20 Double Ambig )
&rst
ixpk= 1709, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.58, r4=10.33,
igr1=1193, 357, 358, 359, 361, 362, 363,
igr2= 79, 80, 79, 80,
&end
#
# 136 ARG HN 136 ARG HG+ 5.50 (# 1710:20 Preassigned 2.36, 3.93 A)
&rst
ixpk= 1710, nxpk= 20, iat=2147, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2154,2155,
&end
#
# 0 AMB 20-2:1711 0 AMB 20-1:1711 4.00 (# 1711:20 Double Ambig )
&rst
ixpk= 1711, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
igr1=2157,2158,2157,2158,
igr2=2154,2155,2154,2155,
&end
#
# 136 ARG HB+ 136 ARG HG+ 5.50 (# 1712:20 Preassigned 2.25, 2.72 A)
&rst
ixpk= 1712, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2151,2152,
igr2=2154,2155,
&end
#
# 136 ARG HB- 136 ARG HG+ 4.00 (# 1714:20 Preassigned 2.25, 2.72 A)
&rst
ixpk= 1714, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=2151,2152,
igr2=2154,2155,
&end
#
# 131 LEU HA 131 LEU MDX 5.50 (# 1717:20 Preassigned 2.10, 4.49 A)
&rst
ixpk= 1717, nxpk= 20, iat=2070, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=2077,2078,2079,2081,2082,2083,
&end
#
# 131 LEU HN 131 LEU MDX 5.50 (# 1719:20 Preassigned 1.96, 4.11 A)
&rst
ixpk= 1719, nxpk= 20, iat=2068, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=2077,2078,2079,2081,2082,2083,
&end
#
# 19 ALA HN 131 LEU MDX 5.50 (# 1720:20 Preassigned 2.91, 4.76 A)
&rst
ixpk= 1720, nxpk= 20, iat= 280, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=2077,2078,2079,2081,2082,2083,
&end
#
# 18 THR HN 131 LEU MDX 5.50 (# 1721:20 Preassigned 4.07, 5.95 A)
&rst
ixpk= 1721, nxpk= 20, iat= 266, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=2077,2078,2079,2081,2082,2083,
&end
#
# 18 THR HB 131 LEU MDX 5.50 (# 1723:20 Preassigned 2.18, 3.81 A)
&rst
ixpk= 1723, nxpk= 20, iat= 270, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=2077,2078,2079,2081,2082,2083,
&end
#
# 128 TYR HA 131 LEU MDX 5.50 (# 1724:20 Preassigned 2.43, 4.09 A)
&rst
ixpk= 1724, nxpk= 20, iat=2016, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=2077,2078,2079,2081,2082,2083,
&end
#
# 132 GLU HB- 131 LEU MDX 5.50 (# 1725:20 Preassigned 3.66, 6.85 A)
&rst
ixpk= 1725, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2091,2092,
igr2=2077,2078,2079,2081,2082,2083,
&end
#
# 18 THR MG2 131 LEU MDX 5.50 (# 1726:20 Preassigned 2.38, 5.00 A)
&rst
ixpk= 1726, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 272, 273, 274,
igr2=2077,2078,2079,2081,2082,2083,
&end
#
# 22 LEU MDY 131 LEU MDX 5.50 (# 1727:20 Preassigned 2.26, 7.21 A)
&rst
ixpk= 1727, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 338, 339, 340, 342, 343, 344,
igr2=2077,2078,2079,2081,2082,2083,
&end
#
# 112 GLU HN 111 CYS HB- 5.50 (# 1731:20 Preassigned 1.95, 3.69 A)
&rst
ixpk= 1731, nxpk= 20, iat=1753, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1746,1747,
&end
#
# 111 CYS HA 111 CYS HB- 4.00 (# 1732:20 Preassigned 2.45, 2.78 A)
&rst
ixpk= 1732, nxpk= 20, iat=1744, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2=1746,1747,
&end
#
# 111 CYS HN 111 CYS HB- 5.50 (# 1734:20 Preassigned 2.40, 2.94 A)
&rst
ixpk= 1734, nxpk= 20, iat=1742, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1746,1747,
&end
#
# 108 ASP HB+ 111 CYS HB- 5.50 (# 1735:20 Preassigned 2.53, 4.83 A)
&rst
ixpk= 1735, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1705,1706,
igr2=1746,1747,
&end
#
# 0 AMB 20-2:1737 73 CYS HB- 7.00 (# 1737:20 Single Ambig )
&rst
ixpk= 1737, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
igr1=1044,1045,1122,1123,
igr2=1108,1109,
&end
#
# 112 GLU HN 111 CYS HB+ 5.50 (# 1741:20 Preassigned 1.95, 3.69 A)
&rst
ixpk= 1741, nxpk= 20, iat=1753, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1746,1747,
&end
#
# 111 CYS HA 111 CYS HB+ 5.50 (# 1742:20 Preassigned 2.45, 2.78 A)
&rst
ixpk= 1742, nxpk= 20, iat=1744, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1746,1747,
&end
#
# 111 CYS HN 111 CYS HB+ 5.50 (# 1745:20 Preassigned 2.40, 2.94 A)
&rst
ixpk= 1745, nxpk= 20, iat=1742, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1746,1747,
&end
#
# 108 ASP HB+ 111 CYS HB+ 5.50 (# 1746:20 Preassigned 2.53, 4.83 A)
&rst
ixpk= 1746, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1705,1706,
igr2=1746,1747,
&end
#
# 47 PRO HD+ 47 PRO HG+ 4.00 (# 1750:20 Preassigned 2.33, 2.61 A)
&rst
ixpk= 1750, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1= 705, 706,
igr2= 708, 709,
&end
#
# 47 PRO HB+ 47 PRO HG+ 4.00 (# 1751:20 Preassigned 2.38, 2.63 A)
&rst
ixpk= 1751, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1= 711, 712,
igr2= 708, 709,
&end
#
# 96 GLU HA 96 GLU HB- 5.50 (# 1752:20 Preassigned 2.38, 2.54 A)
&rst
ixpk= 1752, nxpk= 20, iat=1498, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1500,1501,
&end
#
# 96 GLU HN 96 GLU HB- 5.50 (# 1753:20 Preassigned 2.45, 3.05 A)
&rst
ixpk= 1753, nxpk= 20, iat=1496, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1500,1501,
&end
#
# 96 GLU HA 96 GLU HB- 5.50 (# 1754:20 Preassigned 2.38, 2.54 A)
&rst
ixpk= 1754, nxpk= 20, iat=1498, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1500,1501,
&end
#
# 37 LEU MDX 90 LEU HG 5.50 (# 1756:20 Preassigned 2.29, 5.26 A)
&rst
ixpk= 1756, nxpk= 20, iat= -1,1417, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 584, 585, 586, 588, 589, 590,
&end
#
# 40 LEU HA 40 LEU HG 4.00 (# 1757:20 Preassigned 2.46, 2.98 A)
&rst
ixpk= 1757, nxpk= 20, iat= 613, 618, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 40 LEU HB- 40 LEU HG 2.80 (# 1758:20 Preassigned 2.45, 2.77 A)
&rst
ixpk= 1758, nxpk= 20, iat= -1, 618, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 615, 616,
&end
#
# 0 AMB 20-2:1759 40 LEU HG 4.00 (# 1759:20 Single Ambig )
&rst
ixpk= 1759, nxpk= 20, iat= -1, 618, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1= 620, 621, 622, 624, 625, 626, 620, 621, 622, 624,
625, 626,
&end
#
# 136 ARG HA 136 ARG HG- 5.50 (# 1760:20 Preassigned 2.36, 3.15 A)
&rst
ixpk= 1760, nxpk= 20, iat=2149, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2154,2155,
&end
#
# 60 LEU HA 60 LEU HG 5.50 (# 1761:20 Preassigned 3.23, 3.45 A)
&rst
ixpk= 1761, nxpk= 20, iat= 889, 894, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:1762 60 LEU HG 4.00 (# 1762:20 Single Ambig )
&rst
ixpk= 1762, nxpk= 20, iat= -1, 894, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1= 896, 897, 898, 900, 901, 902, 896, 897, 898, 900,
901, 902,
&end
#
# 0 AMB 20-2:1763 60 LEU HG 4.00 (# 1763:20 Single Ambig )
&rst
ixpk= 1763, nxpk= 20, iat= -1, 894, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1= 896, 897, 898, 900, 901, 902, 896, 897, 898, 900,
901, 902,
&end
#
# 60 LEU HA 60 LEU HG 5.50 (# 1764:20 Preassigned 3.23, 3.45 A)
&rst
ixpk= 1764, nxpk= 20, iat= 889, 894, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 17 PRO HD- 17 PRO HG- 5.50 (# 1767:20 Preassigned 2.23, 2.59 A)
&rst
ixpk= 1767, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 253, 254,
igr2= 256, 257,
&end
#
# 17 PRO HD+ 17 PRO HG- 5.50 (# 1769:20 Preassigned 2.23, 2.59 A)
&rst
ixpk= 1769, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 253, 254,
igr2= 256, 257,
&end
#
# 79 ILE QD1 73 CYS HB- 5.50 (# 1770:20 Preassigned 3.56, 5.83 A)
&rst
ixpk= 1770, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1218,1219,1220,
igr2=1108,1109,
&end
#
# 73 CYS HN 73 CYS HB- 5.50 (# 1771:20 Preassigned 2.31, 3.07 A)
&rst
ixpk= 1771, nxpk= 20, iat=1104, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1108,1109,
&end
#
# 73 CYS HN 73 CYS HB+ 5.50 (# 1775:20 Preassigned 2.31, 3.07 A)
&rst
ixpk= 1775, nxpk= 20, iat=1104, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1108,1109,
&end
#
# 79 ILE QD1 73 CYS HB+ 5.50 (# 1777:20 Preassigned 3.56, 5.83 A)
&rst
ixpk= 1777, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1218,1219,1220,
igr2=1108,1109,
&end
#
# 96 GLU HN 96 GLU HB- 5.50 (# 1778:20 Preassigned 2.45, 3.05 A)
&rst
ixpk= 1778, nxpk= 20, iat=1496, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1500,1501,
&end
#
# 47 PRO HA 47 PRO HG- 5.50 (# 1779:20 Unique 2.76, 3.47 A)
&rst
ixpk= 1779, nxpk= 20, iat= 714, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 708, 709,
&end
#
# 96 GLU HN 0 AMB 20-1:1780 5.50 (# 1780:20 Single Ambig )
&rst
ixpk= 1780, nxpk= 20, iat=1496, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1500,1501,1486,1487,
&end
#
# 96 GLU HA 96 GLU HB+ 4.00 (# 1782:20 Preassigned 2.38, 2.54 A)
&rst
ixpk= 1782, nxpk= 20, iat=1498, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2=1500,1501,
&end
#
# 95 PRO HD- 95 PRO HG+ 4.00 (# 1783:20 Unique 2.32, 2.61 A)
&rst
ixpk= 1783, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=1483,1484,
igr2=1486,1487,
&end
#
# 96 GLU HN 0 AMB 20-1:1784 5.50 (# 1784:20 Single Ambig )
&rst
ixpk= 1784, nxpk= 20, iat=1496, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1500,1501,1486,1487,
&end
#
# 119 LYS HN 0 AMB 20-1:1790 5.50 (# 1790:20 Single Ambig )
&rst
ixpk= 1790, nxpk= 20, iat=1872, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1852,1853,1852,1853,
&end
#
# 98 ARG HN 98 ARG HG- 5.50 (# 1792:20 Preassigned 2.25, 3.65 A)
&rst
ixpk= 1792, nxpk= 20, iat=1528, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1535,1536,
&end
#
# 98 ARG HD+ 98 ARG HG+ 5.50 (# 1793:20 Preassigned 2.35, 2.71 A)
&rst
ixpk= 1793, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1538,1539,
igr2=1535,1536,
&end
#
# 98 ARG HD+ 98 ARG HG+ 5.50 (# 1794:20 Preassigned 2.35, 2.71 A)
&rst
ixpk= 1794, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1538,1539,
igr2=1535,1536,
&end
#
# 40 LEU HN 40 LEU HG 4.00 (# 1795:20 Preassigned 2.43, 2.94 A)
&rst
ixpk= 1795, nxpk= 20, iat= 611, 618, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 84 LYS HN 0 AMB 20-1:1796 5.50 (# 1796:20 Single Ambig )
&rst
ixpk= 1796, nxpk= 20, iat=1289, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1296,1297,1296,1297,
&end
#
# 84 LYS HA 0 AMB 20-1:1797 5.50 (# 1797:20 Single Ambig )
&rst
ixpk= 1797, nxpk= 20, iat=1291, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1296,1297,1296,1297,
&end
#
# 0 AMB 20-2:1798 0 AMB 20-1:1798 5.50 (# 1798:20 Double Ambig )
&rst
ixpk= 1798, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1302,1303,1302,1303,
igr2=1296,1297,1296,1297,
&end
#
# 37 LEU MDX 37 LEU HG 5.50 (# 1799:20 Preassigned 2.37, 2.66 A)
&rst
ixpk= 1799, nxpk= 20, iat= -1, 582, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 584, 585, 586, 588, 589, 590,
&end
#
# 73 CYS HA 73 CYS HB- 5.50 (# 1802:20 Preassigned 2.43, 2.77 A)
&rst
ixpk= 1802, nxpk= 20, iat=1106, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1108,1109,
&end
#
# 94 ALA MB 73 CYS HB- 5.50 (# 1803:20 Preassigned 2.46, 3.56 A)
&rst
ixpk= 1803, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1476,1477,1478,
igr2=1108,1109,
&end
#
# 73 CYS HA 73 CYS HB+ 5.50 (# 1804:20 Preassigned 2.43, 2.77 A)
&rst
ixpk= 1804, nxpk= 20, iat=1106, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1108,1109,
&end
#
# 142 LEU HN 142 LEU HG 5.50 (# 1805:20 Preassigned 2.30, 2.48 A)
&rst
ixpk= 1805, nxpk= 20, iat=2249,2256, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 141 ALA HN 142 LEU HG 5.50 (# 1806:20 Preassigned 4.57, 4.75 A)
&rst
ixpk= 1806, nxpk= 20, iat=2239,2256, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 142 LEU HB- 142 LEU HG 5.50 (# 1807:20 Preassigned 2.47, 2.79 A)
&rst
ixpk= 1807, nxpk= 20, iat= -1,2256, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2253,2254,
&end
#
# 142 LEU MDY 142 LEU HG 5.50 (# 1808:20 Preassigned 2.41, 2.66 A)
&rst
ixpk= 1808, nxpk= 20, iat= -1,2256, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2258,2259,2260,2262,2263,2264,
&end
#
# 142 LEU MDY 142 LEU HG 5.50 (# 1809:20 Preassigned 2.41, 2.66 A)
&rst
ixpk= 1809, nxpk= 20, iat= -1,2256, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2258,2259,2260,2262,2263,2264,
&end
#
# 142 LEU MDX 142 LEU HG 4.00 (# 1810:20 Preassigned 2.41, 2.66 A)
&rst
ixpk= 1810, nxpk= 20, iat= -1,2256, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1=2258,2259,2260,2262,2263,2264,
&end
#
# 142 LEU HA 142 LEU HG 5.50 (# 1811:20 Preassigned 2.83, 2.97 A)
&rst
ixpk= 1811, nxpk= 20, iat=2251,2256, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 95 PRO HD+ 95 PRO HG- 5.50 (# 1813:20 Preassigned 2.32, 2.61 A)
&rst
ixpk= 1813, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1483,1484,
igr2=1486,1487,
&end
#
# 95 PRO HA 95 PRO HG- 5.50 (# 1814:20 Unique 2.81, 3.87 A)
&rst
ixpk= 1814, nxpk= 20, iat=1492, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1486,1487,
&end
#
# 0 AMB 20-2:1815 0 AMB 20-1:1815 7.00 (# 1815:20 Double Ambig )
&rst
ixpk= 1815, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.11, r4=11.86,
igr1=1855,1856,1855,1856,
igr2=1852,1853,1852,1853,
&end
#
# 118 ARG HA 0 AMB 20-1:1817 5.50 (# 1817:20 Single Ambig )
&rst
ixpk= 1817, nxpk= 20, iat=1850, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1852,1853,1852,1853,
&end
#
# 0 AMB 20-2:1819 0 AMB 20-1:1819 5.50 (# 1819:20 Double Ambig )
&rst
ixpk= 1819, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1855,1856,1855,1856,
igr2=1852,1853,1852,1853,
&end
#
# 21 ARG HE 21 ARG HG- 7.00 (# 1820:20 Preassigned 2.24, 3.36 A)
&rst
ixpk= 1820, nxpk= 20, iat= 318, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 312, 313,
&end
#
# 118 ARG HA 0 AMB 20-1:1822 5.50 (# 1822:20 Single Ambig )
&rst
ixpk= 1822, nxpk= 20, iat=1850, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1852,1853,1852,1853,
&end
#
# 21 ARG HN 21 ARG HG- 5.50 (# 1823:20 Preassigned 2.14, 3.07 A)
&rst
ixpk= 1823, nxpk= 20, iat= 305, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 312, 313,
&end
#
# 0 AMB 20-2:1825 0 AMB 20-1:1825 4.00 (# 1825:20 Double Ambig )
&rst
ixpk= 1825, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.63, r4= 8.38,
igr1=2058,2059,2060,2062,2063,2064, 866, 867, 868, 870,
871, 872,
igr2=1778,1779, 312, 313,
&end
#
# 98 ARG HD+ 98 ARG HG- 5.50 (# 1827:20 Preassigned 2.35, 2.71 A)
&rst
ixpk= 1827, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1538,1539,
igr2=1535,1536,
&end
#
# 98 ARG HD+ 98 ARG HG- 5.50 (# 1828:20 Preassigned 2.35, 2.71 A)
&rst
ixpk= 1828, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1538,1539,
igr2=1535,1536,
&end
#
# 98 ARG HD- 98 ARG HG- 4.00 (# 1829:20 Preassigned 2.35, 2.71 A)
&rst
ixpk= 1829, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=1538,1539,
igr2=1535,1536,
&end
#
# 98 ARG HD- 98 ARG HG- 2.80 (# 1830:20 Preassigned 2.35, 2.71 A)
&rst
ixpk= 1830, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1538,1539,
igr2=1535,1536,
&end
#
# 76 TYR HE 72 LEU HG 5.50 (# 1833:20 Preassigned 2.22, 5.71 A)
&rst
ixpk= 1833, nxpk= 20, iat= -1,1092, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1163,1168,
&end
#
# 73 CYS HB- 70 ARG HG+ 4.00 (# 1834:20 Preassigned 2.64, 4.56 A)
&rst
ixpk= 1834, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=1108,1109,
igr2=1044,1045,
&end
#
# 114 PRO HA 114 PRO HG- 4.00 (# 1835:20 Unique 2.86, 3.50 A)
&rst
ixpk= 1835, nxpk= 20, iat=1797, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2=1791,1792,
&end
#
# 74 ARG HE 70 ARG HG+ 5.50 (# 1836:20 Preassigned 2.67, 4.45 A)
&rst
ixpk= 1836, nxpk= 20, iat=1128, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1044,1045,
&end
#
# 74 ARG HN 70 ARG HG+ 5.50 (# 1837:20 Preassigned 3.95, 4.89 A)
&rst
ixpk= 1837, nxpk= 20, iat=1115, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1044,1045,
&end
#
# 0 AMB 20-2:1838 0 AMB 20-1:1838 4.00 (# 1838:20 Double Ambig )
&rst
ixpk= 1838, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
igr1=1538,1539,1108,1109,
igr2=1535,1536,1044,1045,
&end
#
# 0 AMB 20-2:1839 0 AMB 20-1:1839 5.50 (# 1839:20 Double Ambig )
&rst
ixpk= 1839, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1498,1554,1555,
igr2=1535,1536,1535,1536,
&end
#
# 0 AMB 20-2:1840 0 AMB 20-1:1840 4.00 (# 1840:20 Double Ambig )
&rst
ixpk= 1840, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1=1498,1554,1555,
igr2=1535,1536,1535,1536,
&end
#
# 130 LEU HA 133 ARG HG+ 5.50 (# 1841:20 Unique 2.28, 5.03 A)
&rst
ixpk= 1841, nxpk= 20, iat=2051, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2109,2110,
&end
#
# 71 ARG HD+ 71 ARG HG+ 2.80 (# 1844:20 Unique 2.40, 2.71 A)
&rst
ixpk= 1844, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1071,1072,
igr2=1068,1069,
&end
#
# 71 ARG HA 71 ARG HG+ 4.00 (# 1845:20 Preassigned 2.47, 3.16 A)
&rst
ixpk= 1845, nxpk= 20, iat=1063, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2=1068,1069,
&end
#
# 70 ARG HD+ 70 ARG HG- 7.00 (# 1848:20 Preassigned 2.34, 2.67 A)
&rst
ixpk= 1848, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1047,1048,
igr2=1044,1045,
&end
#
# 70 ARG HD+ 70 ARG HG- 5.50 (# 1849:20 Preassigned 2.34, 2.67 A)
&rst
ixpk= 1849, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1047,1048,
igr2=1044,1045,
&end
#
# 84 LYS HA 84 LYS HG- 5.50 (# 1850:20 Preassigned 2.42, 3.31 A)
&rst
ixpk= 1850, nxpk= 20, iat=1291, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1296,1297,
&end
#
# 0 AMB 20-2:1851 0 AMB 20-1:1851 5.50 (# 1851:20 Double Ambig )
&rst
ixpk= 1851, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1302,1303,1302,1303,
igr2=1296,1297,1296,1297,
&end
#
# 0 AMB 20-2:1852 0 AMB 20-1:1852 5.50 (# 1852:20 Double Ambig )
&rst
ixpk= 1852, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1760,1761,1760,1761,
igr2=1296,1297,1296,1297,
&end
#
# 79 ILE HA 79 ILE HG1+ 5.50 (# 1853:20 Preassigned 2.53, 3.40 A)
&rst
ixpk= 1853, nxpk= 20, iat=1207, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1215,1216,
&end
#
# 103 LEU MDY 0 AMB 20-1:1854 5.50 (# 1854:20 Single Ambig )
&rst
ixpk= 1854, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1623,1624,1625,1627,1628,1629,
igr2=1296,1297,1296,1297,
&end
#
# 84 LYS HN 0 AMB 20-1:1855 5.50 (# 1855:20 Single Ambig )
&rst
ixpk= 1855, nxpk= 20, iat=1289, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1296,1297,1296,1297,
&end
#
# 78 LEU HA 79 ILE HG1+ 5.50 (# 1857:20 Preassigned 3.16, 4.76 A)
&rst
ixpk= 1857, nxpk= 20, iat=1188, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1215,1216,
&end
#
# 37 LEU HN 37 LEU HG 5.50 (# 1858:20 Preassigned 3.81, 4.32 A)
&rst
ixpk= 1858, nxpk= 20, iat= 575, 582, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:1859 37 LEU HG 2.80 (# 1859:20 Single Ambig )
&rst
ixpk= 1859, nxpk= 20, iat= -1, 582, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 584, 585, 586, 588, 589, 590,1419,1420,1421,1423,
1424,1425,
&end
#
# 0 AMB 20-2:1861 0 AMB 20-1:1861 4.00 (# 1861:20 Double Ambig )
&rst
ixpk= 1861, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
igr1=1431,1373,
igr2=1433,1434,1433,1434,
&end
#
# 91 CYS HN 91 CYS HB+ 5.50 (# 1862:20 Preassigned 2.48, 2.92 A)
&rst
ixpk= 1862, nxpk= 20, iat=1429, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1433,1434,
&end
#
# 92 GLU HN 91 CYS HB+ 5.50 (# 1864:20 Preassigned 2.49, 3.41 A)
&rst
ixpk= 1864, nxpk= 20, iat=1440, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1433,1434,
&end
#
# 91 CYS HN 91 CYS HB- 5.50 (# 1865:20 Preassigned 2.48, 2.92 A)
&rst
ixpk= 1865, nxpk= 20, iat=1429, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1433,1434,
&end
#
# 0 AMB 20-2:1868 91 CYS HB- 5.50 (# 1868:20 Single Ambig )
&rst
ixpk= 1868, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1431,1373,
igr2=1433,1434,
&end
#
# 69 SER HN 72 LEU HG 7.00 (# 1869:20 Preassigned 3.25, 4.30 A)
&rst
ixpk= 1869, nxpk= 20, iat=1026,1092, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 76 TYR HE 72 LEU HG 5.50 (# 1870:20 Preassigned 2.22, 5.71 A)
&rst
ixpk= 1870, nxpk= 20, iat= -1,1092, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1163,1168,
&end
#
# 72 LEU HN 72 LEU HG 4.00 (# 1873:20 Preassigned 2.47, 3.30 A)
&rst
ixpk= 1873, nxpk= 20, iat=1085,1092, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 72 LEU MDX 72 LEU HG 4.00 (# 1874:20 Preassigned 2.42, 2.66 A)
&rst
ixpk= 1874, nxpk= 20, iat= -1,1092, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1=1094,1095,1096,1098,1099,1100,
&end
#
# 0 AMB 20-2:1875 72 LEU HG 5.50 (# 1875:20 Single Ambig )
&rst
ixpk= 1875, nxpk= 20, iat= -1,1092, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1063,1106,
&end
#
# 129 THR HA 133 ARG HG+ 5.50 (# 1878:20 Preassigned 4.48, 7.10 A)
&rst
ixpk= 1878, nxpk= 20, iat=2037, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2109,2110,
&end
#
# 70 ARG HA 70 ARG HG- 5.50 (# 1879:20 Preassigned 2.31, 2.78 A)
&rst
ixpk= 1879, nxpk= 20, iat=1039, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1044,1045,
&end
#
# 86 HIS HN 85 ARG HG- 7.00 (# 1880:20 Preassigned 2.55, 4.14 A)
&rst
ixpk= 1880, nxpk= 20, iat=1335, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1318,1319,
&end
#
# 0 AMB 20-2:1883 37 LEU HG 2.80 (# 1883:20 Single Ambig )
&rst
ixpk= 1883, nxpk= 20, iat= -1, 582, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1419,1420,1421,1423,1424,1425, 129, 130, 131, 133,
134, 135,
&end
#
# 22 LEU HN 58 LEU MDX 5.50 (# 1884:20 Preassigned 2.86, 4.94 A)
&rst
ixpk= 1884, nxpk= 20, iat= 329, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 866, 867, 868, 870, 871, 872,
&end
#
# 128 TYR HE 58 LEU MDX 5.50 (# 1885:20 Preassigned 2.34, 6.44 A)
&rst
ixpk= 1885, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2024,2029,
igr2= 866, 867, 868, 870, 871, 872,
&end
#
# 22 LEU HA 58 LEU MDX 5.50 (# 1886:20 Unique 2.21, 4.69 A)
&rst
ixpk= 1886, nxpk= 20, iat= 331, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 866, 867, 868, 870, 871, 872,
&end
#
# 18 THR HA 58 LEU MDX 5.50 (# 1887:20 Preassigned 2.21, 5.12 A)
&rst
ixpk= 1887, nxpk= 20, iat= 268, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 866, 867, 868, 870, 871, 872,
&end
#
# 58 LEU HB- 58 LEU MDX 4.00 (# 1888:20 Unique 2.35, 3.38 A)
&rst
ixpk= 1888, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1= 861, 862,
igr2= 866, 867, 868, 870, 871, 872,
&end
#
# 53 ALA HA 58 LEU MDX 5.50 (# 1889:20 Preassigned 2.54, 6.08 A)
&rst
ixpk= 1889, nxpk= 20, iat= 790, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 866, 867, 868, 870, 871, 872,
&end
#
# 60 LEU MDY 58 LEU MDX 5.50 (# 1891:20 Preassigned 2.16, 6.91 A)
&rst
ixpk= 1891, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 896, 897, 898, 900, 901, 902,
igr2= 866, 867, 868, 870, 871, 872,
&end
#
# 22 LEU MDY 58 LEU MDX 5.50 (# 1892:20 Preassigned 2.26, 5.74 A)
&rst
ixpk= 1892, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 338, 339, 340, 342, 343, 344,
igr2= 866, 867, 868, 870, 871, 872,
&end
#
# 79 ILE HA 79 ILE HG1- 5.50 (# 1893:20 Preassigned 2.53, 3.40 A)
&rst
ixpk= 1893, nxpk= 20, iat=1207, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1215,1216,
&end
#
# 6 LEU MDX 79 ILE HG1- 6.00 (# 1894:20 Preassigned 2.19, 5.92 A)
&rst
ixpk= 1894, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 97, 98, 99, 101, 102, 103,
igr2=1215,1216,
&end
#
# 6 LEU MDY 79 ILE HG1- 5.50 (# 1896:20 Preassigned 2.19, 5.92 A)
&rst
ixpk= 1896, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 97, 98, 99, 101, 102, 103,
igr2=1215,1216,
&end
#
# 78 LEU MDY 78 LEU HG 4.00 (# 1897:20 Preassigned 2.34, 2.65 A)
&rst
ixpk= 1897, nxpk= 20, iat= -1,1193, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1=1195,1196,1197,1199,1200,1201,
&end
#
# 80 LEU MDY 78 LEU HG 5.50 (# 1898:20 Preassigned 2.28, 4.64 A)
&rst
ixpk= 1898, nxpk= 20, iat= -1,1193, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1233,1234,1235,1237,1238,1239,
&end
#
# 78 LEU MDX 78 LEU HG 4.00 (# 1899:20 Preassigned 2.34, 2.65 A)
&rst
ixpk= 1899, nxpk= 20, iat= -1,1193, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1=1195,1196,1197,1199,1200,1201,
&end
#
# 78 LEU MDY 78 LEU HG 4.00 (# 1900:20 Preassigned 2.34, 2.65 A)
&rst
ixpk= 1900, nxpk= 20, iat= -1,1193, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1=1195,1196,1197,1199,1200,1201,
&end
#
# 0 AMB 20-2:1901 0 AMB 20-1:1901 7.00 (# 1901:20 Double Ambig )
&rst
ixpk= 1901, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.89, r4=12.64,
igr1=1339,1340,1850,
igr2=1419,1420,1421,1423,1424,1425,1855,1856,
&end
#
# 130 LEU HN 130 LEU HG 5.50 (# 1902:20 Preassigned 4.11, 4.31 A)
&rst
ixpk= 1902, nxpk= 20, iat=2049,2056, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 130 LEU MDY 130 LEU HG 2.80 (# 1903:20 Preassigned 2.39, 2.67 A)
&rst
ixpk= 1903, nxpk= 20, iat= -1,2056, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=2058,2059,2060,2062,2063,2064,
&end
#
# 114 PRO HA 114 PRO HG+ 7.00 (# 1904:20 Unique 2.86, 3.50 A)
&rst
ixpk= 1904, nxpk= 20, iat=1797, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1791,1792,
&end
#
# 0 AMB 20-2:1905 0 AMB 20-1:1905 5.50 (# 1905:20 Double Ambig )
&rst
ixpk= 1905, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1396,1397,1399,
igr2=1393,1394,1393,1394,
&end
#
# 89 ARG HN 89 ARG HG+ 5.50 (# 1906:20 Preassigned 2.42, 3.47 A)
&rst
ixpk= 1906, nxpk= 20, iat=1386, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1393,1394,
&end
#
# 89 ARG HD- 89 ARG HG- 5.50 (# 1907:20 Preassigned 2.29, 2.68 A)
&rst
ixpk= 1907, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1396,1397,
igr2=1393,1394,
&end
#
# 89 ARG HA 89 ARG HG- 2.80 (# 1908:20 Preassigned 2.26, 3.01 A)
&rst
ixpk= 1908, nxpk= 20, iat=1388, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1393,1394,
&end
#
# 89 ARG HN 89 ARG HG- 4.00 (# 1909:20 Preassigned 2.42, 3.47 A)
&rst
ixpk= 1909, nxpk= 20, iat=1386, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2=1393,1394,
&end
#
# 0 AMB 20-2:1910 0 AMB 20-1:1910 5.50 (# 1910:20 Double Ambig )
&rst
ixpk= 1910, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1788,1789,1960,
igr2=1791,1792,1817,1818,
&end
#
# 58 LEU MDY 22 LEU HG 4.00 (# 1911:20 Preassigned 2.21, 4.28 A)
&rst
ixpk= 1911, nxpk= 20, iat= -1, 336, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1= 866, 867, 868, 870, 871, 872,
&end
#
# 58 LEU MDY 22 LEU HG 4.00 (# 1913:20 Preassigned 2.21, 4.28 A)
&rst
ixpk= 1913, nxpk= 20, iat= -1, 336, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1= 866, 867, 868, 870, 871, 872,
&end
#
# 0 AMB 20-2:1915 58 LEU MDX 2.80 (# 1915:20 Single Ambig )
&rst
ixpk= 1915, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 336, 792, 793, 794,
igr2= 866, 867, 868, 870, 871, 872,
&end
#
# 58 LEU HA 58 LEU MDX 5.50 (# 1916:20 Preassigned 2.19, 3.77 A)
&rst
ixpk= 1916, nxpk= 20, iat= 859, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 866, 867, 868, 870, 871, 872,
&end
#
# 80 LEU HN 80 LEU HG 5.50 (# 1917:20 Preassigned 2.40, 3.71 A)
&rst
ixpk= 1917, nxpk= 20, iat=1224,1231, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 118 ARG HN 118 ARG HG- 7.00 (# 1921:20 Preassigned 2.48, 3.88 A)
&rst
ixpk= 1921, nxpk= 20, iat=1848, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1855,1856,
&end
#
# 0 AMB 20-2:1922 118 ARG HG- 4.00 (# 1922:20 Single Ambig )
&rst
ixpk= 1922, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
igr1=1858,1859,1858,1859,
igr2=1855,1856,
&end
#
# 118 ARG HA 118 ARG HG- 5.50 (# 1923:20 Preassigned 2.46, 3.14 A)
&rst
ixpk= 1923, nxpk= 20, iat=1850, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1855,1856,
&end
#
# 0 AMB 20-2:1924 118 ARG HG- 5.50 (# 1924:20 Single Ambig )
&rst
ixpk= 1924, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1852,1853,1852,1853,
igr2=1855,1856,
&end
#
# 118 ARG HN 118 ARG HG- 7.00 (# 1925:20 Preassigned 2.48, 3.88 A)
&rst
ixpk= 1925, nxpk= 20, iat=1848, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1855,1856,
&end
#
# 0 AMB 20-2:1926 90 LEU MDX 7.00 (# 1926:20 Single Ambig )
&rst
ixpk= 1926, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1=1245,1226,
igr2=1419,1420,1421,1423,1424,1425,
&end
#
# 0 AMB 20-2:1928 0 AMB 20-1:1928 4.00 (# 1928:20 Double Ambig )
&rst
ixpk= 1928, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
igr1=1852,1853,1852,1853,
igr2=1855,1856,1855,1856,
&end
#
# 0 AMB 20-2:1929 0 AMB 20-1:1929 4.00 (# 1929:20 Double Ambig )
&rst
ixpk= 1929, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
igr1=1858,1859,1858,1859,
igr2=1855,1856,1855,1856,
&end
#
# 114 PRO HD+ 130 LEU HG 4.00 (# 1931:20 Preassigned 2.82, 4.40 A)
&rst
ixpk= 1931, nxpk= 20, iat= -1,2056, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1788,1789,
&end
#
# 130 LEU MDY 130 LEU HG 4.00 (# 1932:20 Preassigned 2.39, 2.67 A)
&rst
ixpk= 1932, nxpk= 20, iat= -1,2056, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1=2058,2059,2060,2062,2063,2064,
&end
#
# 103 LEU MDX 0 AMB 20-1:1933 4.00 (# 1933:20 Single Ambig )
&rst
ixpk= 1933, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.79, r4= 7.54,
igr1=1623,1624,1625,1627,1628,1629,
igr2=1731,1732,1731,1732,
&end
#
# 110 GLU HA 0 AMB 20-1:1936 5.50 (# 1936:20 Single Ambig )
&rst
ixpk= 1936, nxpk= 20, iat=1729, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1731,1732,1731,1732,
&end
#
# 103 LEU MDX 0 AMB 20-1:1937 5.50 (# 1937:20 Single Ambig )
&rst
ixpk= 1937, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1623,1624,1625,1627,1628,1629,
igr2=1731,1732,1731,1732,
&end
#
# 0 AMB 20-2:1940 89 ARG HG- 5.50 (# 1940:20 Single Ambig )
&rst
ixpk= 1940, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1396,1397,1399,
igr2=1393,1394,
&end
#
# 89 ARG HD- 89 ARG HG- 4.00 (# 1941:20 Preassigned 2.29, 2.68 A)
&rst
ixpk= 1941, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=1396,1397,
igr2=1393,1394,
&end
#
# 22 LEU MDY 22 LEU HG 7.00 (# 1944:20 Preassigned 2.39, 2.66 A)
&rst
ixpk= 1944, nxpk= 20, iat= -1, 336, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 338, 339, 340, 342, 343, 344,
&end
#
# 85 ARG HB+ 85 ARG HG- 5.50 (# 1948:20 Preassigned 2.37, 2.74 A)
&rst
ixpk= 1948, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1315,1316,
igr2=1318,1319,
&end
#
# 80 LEU MDY 80 LEU HG 4.00 (# 1949:20 Preassigned 2.39, 2.65 A)
&rst
ixpk= 1949, nxpk= 20, iat= -1,1231, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1=1233,1234,1235,1237,1238,1239,
&end
#
# 86 HIS HA 90 LEU MDX 5.50 (# 1954:20 Preassigned 2.84, 6.20 A)
&rst
ixpk= 1954, nxpk= 20, iat=1337, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1419,1420,1421,1423,1424,1425,
&end
#
# 87 ILE HA 90 LEU MDX 5.50 (# 1956:20 Preassigned 3.66, 6.06 A)
&rst
ixpk= 1956, nxpk= 20, iat=1354, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1419,1420,1421,1423,1424,1425,
&end
#
# 90 LEU HN 90 LEU MDX 5.50 (# 1959:20 Preassigned 2.63, 4.87 A)
&rst
ixpk= 1959, nxpk= 20, iat=1410, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1419,1420,1421,1423,1424,1425,
&end
#
# 81 THR HB 90 LEU MDX 5.50 (# 1960:20 Preassigned 2.95, 5.42 A)
&rst
ixpk= 1960, nxpk= 20, iat=1247, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1419,1420,1421,1423,1424,1425,
&end
#
# 90 LEU HA 90 LEU MDX 5.50 (# 1961:20 Unique 2.20, 3.91 A)
&rst
ixpk= 1961, nxpk= 20, iat=1412, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1419,1420,1421,1423,1424,1425,
&end
#
# 0 AMB 20-2:1962 90 LEU MDX 5.50 (# 1962:20 Single Ambig )
&rst
ixpk= 1962, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1414,1415,1515,1516,
igr2=1419,1420,1421,1423,1424,1425,
&end
#
# 131 LEU HN 130 LEU HG 5.50 (# 1963:20 Unique 2.84, 3.54 A)
&rst
ixpk= 1963, nxpk= 20, iat=2068,2056, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 131 LEU MDX 130 LEU HG 4.00 (# 1964:20 Preassigned 3.94, 6.30 A)
&rst
ixpk= 1964, nxpk= 20, iat= -1,2056, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1=2077,2078,2079,2081,2082,2083,
&end
#
# 103 LEU MDX 103 LEU HG 5.50 (# 1965:20 Preassigned 2.31, 2.66 A)
&rst
ixpk= 1965, nxpk= 20, iat= -1,1621, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1623,1624,1625,1627,1628,1629,
&end
#
# 0 AMB 20-2:1967 25 ARG HG- 2.80 (# 1967:20 Single Ambig )
&rst
ixpk= 1967, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 388, 389, 388, 389,
igr2= 391, 392,
&end
#
# 114 PRO HG- 130 LEU MDX 5.50 (# 1968:20 Preassigned 3.64, 6.16 A)
&rst
ixpk= 1968, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1791,1792,
igr2=2058,2059,2060,2062,2063,2064,
&end
#
# 114 PRO HD- 130 LEU MDX 5.50 (# 1970:20 Preassigned 2.18, 4.58 A)
&rst
ixpk= 1970, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1788,1789,
igr2=2058,2059,2060,2062,2063,2064,
&end
#
# 127 VAL HA 130 LEU MDX 5.50 (# 1971:20 Preassigned 2.69, 5.16 A)
&rst
ixpk= 1971, nxpk= 20, iat=2000, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=2058,2059,2060,2062,2063,2064,
&end
#
# 130 LEU HB+ 130 LEU MDX 5.50 (# 1972:20 Preassigned 2.36, 3.36 A)
&rst
ixpk= 1972, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2053,2054,
igr2=2058,2059,2060,2062,2063,2064,
&end
#
# 142 LEU HA 142 LEU MDX 7.00 (# 1973:20 Preassigned 2.16, 3.85 A)
&rst
ixpk= 1973, nxpk= 20, iat=2251, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr2=2258,2259,2260,2262,2263,2264,
&end
#
# 142 LEU HN 142 LEU MDX 5.50 (# 1974:20 Preassigned 3.61, 4.48 A)
&rst
ixpk= 1974, nxpk= 20, iat=2249, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=2258,2259,2260,2262,2263,2264,
&end
#
# 141 ALA HN 142 LEU MDX 5.50 (# 1975:20 Preassigned 5.55, 6.81 A)
&rst
ixpk= 1975, nxpk= 20, iat=2239, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=2258,2259,2260,2262,2263,2264,
&end
#
# 2 PHE HD 142 LEU MDX 6.00 (# 1976:20 Preassigned 2.34, 5.78 A)
&rst
ixpk= 1976, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 29, 37,
igr2=2258,2259,2260,2262,2263,2264,
&end
#
# 0 AMB 20-2:1978 142 LEU MDX 5.50 (# 1978:20 Single Ambig )
&rst
ixpk= 1978, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=2192,2193,2207,
igr2=2258,2259,2260,2262,2263,2264,
&end
#
# 142 LEU HB- 142 LEU MDX 4.00 (# 1979:20 Preassigned 2.39, 3.32 A)
&rst
ixpk= 1979, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1=2253,2254,
igr2=2258,2259,2260,2262,2263,2264,
&end
#
# 78 LEU HB- 142 LEU MDX 5.50 (# 1981:20 Unique 3.78, 6.46 A)
&rst
ixpk= 1981, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1190,1191,
igr2=2258,2259,2260,2262,2263,2264,
&end
#
# 78 LEU MDX 142 LEU MDX 5.50 (# 1982:20 Preassigned 2.43, 6.03 A)
&rst
ixpk= 1982, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=1195,1196,1197,1199,1200,1201,
igr2=2258,2259,2260,2262,2263,2264,
&end
#
# 142 LEU HA 142 LEU MDX 7.00 (# 1984:20 Preassigned 2.16, 3.85 A)
&rst
ixpk= 1984, nxpk= 20, iat=2251, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr2=2258,2259,2260,2262,2263,2264,
&end
#
# 66 ARG HD+ 66 ARG HG- 7.00 (# 1987:20 Preassigned 2.30, 2.70 A)
&rst
ixpk= 1987, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 976, 977,
igr2= 973, 974,
&end
#
# 35 ALA MB 66 ARG HG- 5.50 (# 1988:20 Preassigned 2.32, 4.09 A)
&rst
ixpk= 1988, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 562, 563, 564,
igr2= 973, 974,
&end
#
# 25 ARG HD- 25 ARG HG- 5.50 (# 1989:20 Preassigned 2.30, 2.70 A)
&rst
ixpk= 1989, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 394, 395,
igr2= 391, 392,
&end
#
# 25 ARG HA 25 ARG HG- 5.50 (# 1990:20 Preassigned 2.35, 2.91 A)
&rst
ixpk= 1990, nxpk= 20, iat= 386, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 391, 392,
&end
#
# 25 ARG HD- 25 ARG HG- 5.50 (# 1992:20 Preassigned 2.30, 2.70 A)
&rst
ixpk= 1992, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 394, 395,
igr2= 391, 392,
&end
#
# 25 ARG HD+ 25 ARG HG- 5.50 (# 1993:20 Preassigned 2.30, 2.70 A)
&rst
ixpk= 1993, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 394, 395,
igr2= 391, 392,
&end
#
# 25 ARG HN 25 ARG HG- 5.50 (# 1994:20 Preassigned 2.48, 4.21 A)
&rst
ixpk= 1994, nxpk= 20, iat= 384, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 391, 392,
&end
#
# 43 LYS HN 43 LYS HG+ 5.50 (# 1995:20 Preassigned 2.50, 4.26 A)
&rst
ixpk= 1995, nxpk= 20, iat= 653, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 660, 661,
&end
#
# 0 AMB 20-2:1996 0 AMB 20-1:1996 5.50 (# 1996:20 Double Ambig )
&rst
ixpk= 1996, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 666, 667, 394, 395,
igr2= 660, 661, 391, 392,
&end
#
# 25 ARG HA 25 ARG HG+ 5.50 (# 1997:20 Preassigned 2.35, 2.91 A)
&rst
ixpk= 1997, nxpk= 20, iat= 386, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 391, 392,
&end
#
# 0 AMB 20-2:1998 0 AMB 20-1:1998 4.00 (# 1998:20 Double Ambig )
&rst
ixpk= 1998, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
igr1= 388, 389, 388, 389,
igr2= 391, 392, 391, 392,
&end
#
# 25 ARG HD+ 25 ARG HG+ 5.50 (# 1999:20 Preassigned 2.30, 2.70 A)
&rst
ixpk= 1999, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 394, 395,
igr2= 391, 392,
&end
#
# 26 TYR HD 25 ARG HG+ 7.00 (# 2001:20 Preassigned 2.99, 5.88 A)
&rst
ixpk= 2001, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 416, 425,
igr2= 391, 392,
&end
#
# 113 ILE HA 130 LEU MDX 5.50 (# 2002:20 Preassigned 2.16, 4.33 A)
&rst
ixpk= 2002, nxpk= 20, iat=1770, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=2058,2059,2060,2062,2063,2064,
&end
#
# 114 PRO HD+ 130 LEU MDX 5.50 (# 2003:20 Preassigned 2.18, 4.58 A)
&rst
ixpk= 2003, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1788,1789,
igr2=2058,2059,2060,2062,2063,2064,
&end
#
# 130 LEU HN 130 LEU MDX 5.50 (# 2004:20 Preassigned 4.13, 5.09 A)
&rst
ixpk= 2004, nxpk= 20, iat=2049, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=2058,2059,2060,2062,2063,2064,
&end
#
# 130 LEU HA 130 LEU MDX 5.50 (# 2005:20 Preassigned 2.22, 3.80 A)
&rst
ixpk= 2005, nxpk= 20, iat=2051, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=2058,2059,2060,2062,2063,2064,
&end
#
# 130 LEU HB- 130 LEU MDX 4.00 (# 2007:20 Preassigned 2.36, 3.36 A)
&rst
ixpk= 2007, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1=2053,2054,
igr2=2058,2059,2060,2062,2063,2064,
&end
#
# 69 SER HN 72 LEU MDX 5.50 (# 2008:20 Preassigned 2.46, 4.47 A)
&rst
ixpk= 2008, nxpk= 20, iat=1026, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1094,1095,1096,1098,1099,1100,
&end
#
# 6 LEU HA 6 LEU HG 5.50 (# 2010:20 Preassigned 2.65, 3.08 A)
&rst
ixpk= 2010, nxpk= 20, iat= 90, 95, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 72 LEU HA 72 LEU MDX 5.50 (# 2011:20 Preassigned 2.16, 3.92 A)
&rst
ixpk= 2011, nxpk= 20, iat=1087, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1094,1095,1096,1098,1099,1100,
&end
#
# 0 AMB 20-2:2012 72 LEU MDX 4.00 (# 2012:20 Single Ambig )
&rst
ixpk= 2012, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.48, r4= 7.23,
igr1=1009,1030,1031,
igr2=1094,1095,1096,1098,1099,1100,
&end
#
# 6 LEU MDY 0 AMB 20-1:2015 5.50 (# 2015:20 Single Ambig )
&rst
ixpk= 2015, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.25, r4=11.00,
igr1= 97, 98, 99, 101, 102, 103,
igr2= 95,1094,1095,1096,1098,1099,1100,
&end
#
# 6 LEU MDX 0 AMB 20-1:2016 4.00 (# 2016:20 Single Ambig )
&rst
ixpk= 2016, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.46, r4= 8.21,
igr1= 97, 98, 99, 101, 102, 103,
igr2= 95,1094,1095,1096,1098,1099,1100,
&end
#
# 112 GLU HG+ 103 LEU MDX 5.50 (# 2017:20 Preassigned 2.86, 6.32 A)
&rst
ixpk= 2017, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1760,1761,
igr2=1623,1624,1625,1627,1628,1629,
&end
#
# 106 HIS HN 103 LEU MDX 6.00 (# 2018:20 Preassigned 2.57, 5.23 A)
&rst
ixpk= 2018, nxpk= 20, iat=1660, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2=1623,1624,1625,1627,1628,1629,
&end
#
# 0 AMB 20-2:2019 103 LEU MDX 5.50 (# 2019:20 Single Ambig )
&rst
ixpk= 2019, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1616,1755,
igr2=1623,1624,1625,1627,1628,1629,
&end
#
# 84 LYS HA 103 LEU MDX 6.00 (# 2020:20 Preassigned 2.55, 4.50 A)
&rst
ixpk= 2020, nxpk= 20, iat=1291, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2=1623,1624,1625,1627,1628,1629,
&end
#
# 84 LYS HN 103 LEU MDX 6.00 (# 2024:20 Preassigned 2.94, 4.60 A)
&rst
ixpk= 2024, nxpk= 20, iat=1289, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2=1623,1624,1625,1627,1628,1629,
&end
#
# 103 LEU HN 103 LEU MDX 6.00 (# 2025:20 Preassigned 2.47, 5.15 A)
&rst
ixpk= 2025, nxpk= 20, iat=1614, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2=1623,1624,1625,1627,1628,1629,
&end
#
# 110 GLU HN 103 LEU MDX 5.50 (# 2026:20 Preassigned 4.35, 7.29 A)
&rst
ixpk= 2026, nxpk= 20, iat=1727, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1623,1624,1625,1627,1628,1629,
&end
#
# 0 AMB 20-2:2027 103 LEU MDX 5.50 (# 2027:20 Single Ambig )
&rst
ixpk= 2027, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1757,1758,1734,1735,
igr2=1623,1624,1625,1627,1628,1629,
&end
#
# 0 AMB 20-2:2028 103 LEU MDX 5.50 (# 2028:20 Single Ambig )
&rst
ixpk= 2028, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1731,1732,1731,1732,
igr2=1623,1624,1625,1627,1628,1629,
&end
#
# 103 LEU HB+ 103 LEU MDX 4.00 (# 2029:20 Preassigned 2.38, 3.33 A)
&rst
ixpk= 2029, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1=1618,1619,
igr2=1623,1624,1625,1627,1628,1629,
&end
#
# 19 ALA HA 22 LEU MDY 5.50 (# 2031:20 Preassigned 2.58, 5.18 A)
&rst
ixpk= 2031, nxpk= 20, iat= 282, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 0 AMB 20-2:2032 22 LEU MDY 5.50 (# 2032:20 Single Ambig )
&rst
ixpk= 2032, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=2091,2092, 333, 334,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 22 LEU HN 22 LEU MDY 5.50 (# 2033:20 Preassigned 2.77, 4.54 A)
&rst
ixpk= 2033, nxpk= 20, iat= 329, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 128 TYR HE 22 LEU MDY 5.50 (# 2034:20 Preassigned 2.20, 5.07 A)
&rst
ixpk= 2034, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2024,2029,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 132 GLU HA 22 LEU MDY 4.00 (# 2035:20 Preassigned 2.06, 3.82 A)
&rst
ixpk= 2035, nxpk= 20, iat=2089, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 132 GLU HG- 22 LEU MDY 5.50 (# 2036:20 Preassigned 2.19, 4.11 A)
&rst
ixpk= 2036, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2094,2095,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 0 AMB 20-2:2037 22 LEU MDY 5.50 (# 2037:20 Single Ambig )
&rst
ixpk= 2037, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 333, 334, 309, 310,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 135 ALA MB 22 LEU MDY 5.50 (# 2038:20 Preassigned 2.42, 5.01 A)
&rst
ixpk= 2038, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=2141,2142,2143,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 0 AMB 20-2:2039 22 LEU MDY 4.00 (# 2039:20 Single Ambig )
&rst
ixpk= 2039, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.05, r4= 7.80,
igr1= 272, 273, 274, 333, 334,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 0 AMB 20-2:2041 22 LEU MDY 5.50 (# 2041:20 Single Ambig )
&rst
ixpk= 2041, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1= 866, 867, 868, 870, 871, 872,2072,2073,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 131 LEU MDX 22 LEU MDY 5.50 (# 2042:20 Preassigned 2.26, 7.21 A)
&rst
ixpk= 2042, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=2077,2078,2079,2081,2082,2083,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 132 GLU HN 22 LEU MDY 5.50 (# 2043:20 Preassigned 3.10, 5.49 A)
&rst
ixpk= 2043, nxpk= 20, iat=2087, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 73 CYS HA 6 LEU MDX 5.50 (# 2045:20 Preassigned 3.30, 5.73 A)
&rst
ixpk= 2045, nxpk= 20, iat=1106, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 97, 98, 99, 101, 102, 103,
&end
#
# 6 LEU HA 6 LEU MDX 5.50 (# 2046:20 Preassigned 2.17, 3.88 A)
&rst
ixpk= 2046, nxpk= 20, iat= 90, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 97, 98, 99, 101, 102, 103,
&end
#
# 72 LEU HB+ 6 LEU MDX 5.50 (# 2047:20 Preassigned 2.74, 5.40 A)
&rst
ixpk= 2047, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1089,1090,
igr2= 97, 98, 99, 101, 102, 103,
&end
#
# 79 ILE HG1+ 6 LEU MDX 5.50 (# 2048:20 Preassigned 2.19, 5.92 A)
&rst
ixpk= 2048, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1215,1216,
igr2= 97, 98, 99, 101, 102, 103,
&end
#
# 0 AMB 20-2:2051 0 AMB 20-1:2051 5.50 (# 2051:20 Double Ambig )
&rst
ixpk= 2051, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 840, 857,
igr2= 844, 845, 844, 845,
&end
#
# 57 GLN HA 57 GLN HB+ 5.50 (# 2052:20 Preassigned 2.38, 2.75 A)
&rst
ixpk= 2052, nxpk= 20, iat= 842, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 844, 845,
&end
#
# 35 ALA MB 66 ARG HG- 5.50 (# 2054:20 Preassigned 2.32, 4.09 A)
&rst
ixpk= 2054, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 562, 563, 564,
igr2= 973, 974,
&end
#
# 66 ARG HN 66 ARG HG- 5.50 (# 2055:20 Preassigned 2.29, 3.55 A)
&rst
ixpk= 2055, nxpk= 20, iat= 966, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 973, 974,
&end
#
# 66 ARG HB+ 66 ARG HG- 5.50 (# 2056:20 Preassigned 2.28, 2.69 A)
&rst
ixpk= 2056, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 970, 971,
igr2= 973, 974,
&end
#
# 66 ARG HE 66 ARG HG- 5.50 (# 2058:20 Preassigned 2.25, 2.95 A)
&rst
ixpk= 2058, nxpk= 20, iat= 979, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 973, 974,
&end
#
# 43 LYS HN 43 LYS HG+ 5.50 (# 2059:20 Preassigned 2.50, 4.26 A)
&rst
ixpk= 2059, nxpk= 20, iat= 653, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 660, 661,
&end
#
# 43 LYS HA 43 LYS HG+ 5.50 (# 2060:20 Preassigned 2.33, 2.89 A)
&rst
ixpk= 2060, nxpk= 20, iat= 655, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 660, 661,
&end
#
# 44 GLY HN 43 LYS HG+ 6.00 (# 2061:20 Preassigned 2.10, 3.36 A)
&rst
ixpk= 2061, nxpk= 20, iat= 675, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 660, 661,
&end
#
# 43 LYS HB+ 43 LYS HG+ 4.00 (# 2062:20 Preassigned 2.23, 2.72 A)
&rst
ixpk= 2062, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1= 657, 658,
igr2= 660, 661,
&end
#
# 43 LYS HB- 43 LYS HG+ 4.00 (# 2063:20 Preassigned 2.23, 2.72 A)
&rst
ixpk= 2063, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1= 657, 658,
igr2= 660, 661,
&end
#
# 43 LYS HB+ 43 LYS HG- 4.00 (# 2064:20 Preassigned 2.23, 2.72 A)
&rst
ixpk= 2064, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1= 657, 658,
igr2= 660, 661,
&end
#
# 44 GLY HN 43 LYS HG- 5.50 (# 2065:20 Preassigned 2.10, 3.36 A)
&rst
ixpk= 2065, nxpk= 20, iat= 675, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 660, 661,
&end
#
# 43 LYS HB- 43 LYS HG- 4.00 (# 2066:20 Preassigned 2.23, 2.72 A)
&rst
ixpk= 2066, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1= 657, 658,
igr2= 660, 661,
&end
#
# 43 LYS HE- 43 LYS HG- 5.50 (# 2067:20 Preassigned 2.25, 3.20 A)
&rst
ixpk= 2067, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 666, 667,
igr2= 660, 661,
&end
#
# 0 AMB 20-2:2069 0 AMB 20-1:2069 4.00 (# 2069:20 Double Ambig )
&rst
ixpk= 2069, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.79, r4= 7.54,
igr1=1085, 611,
igr2=1094,1095,1096,1098,1099,1100, 620, 621, 622, 624,
625, 626,
&end
#
# 117 TYR HD 40 LEU MDX 7.00 (# 2070:20 Preassigned 4.06, 7.37 A)
&rst
ixpk= 2070, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1=1835,1844,
igr2= 620, 621, 622, 624, 625, 626,
&end
#
# 0 AMB 20-2:2071 0 AMB 20-1:2071 5.50 (# 2071:20 Double Ambig )
&rst
ixpk= 2071, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 979, 630,
igr2=1094,1095,1096,1098,1099,1100, 620, 621, 622, 624,
625, 626,
&end
#
# 117 TYR HE 40 LEU MDX 5.50 (# 2072:20 Preassigned 2.36, 5.81 A)
&rst
ixpk= 2072, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1837,1842,
igr2= 620, 621, 622, 624, 625, 626,
&end
#
# 76 TYR HE 72 LEU MDX 5.50 (# 2073:20 Preassigned 2.24, 6.11 A)
&rst
ixpk= 2073, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1163,1168,
igr2=1094,1095,1096,1098,1099,1100,
&end
#
# 71 ARG HN 72 LEU MDX 5.50 (# 2074:20 Preassigned 4.59, 6.71 A)
&rst
ixpk= 2074, nxpk= 20, iat=1061, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1094,1095,1096,1098,1099,1100,
&end
#
# 31 LYS HN 30 LEU MDX 5.50 (# 2075:20 Preassigned 2.19, 4.84 A)
&rst
ixpk= 2075, nxpk= 20, iat= 494, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 484, 485, 486, 488, 489, 490,
&end
#
# 3 ASN HA 30 LEU MDX 6.00 (# 2076:20 Preassigned 2.21, 5.10 A)
&rst
ixpk= 2076, nxpk= 20, iat= 43, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 484, 485, 486, 488, 489, 490,
&end
#
# 27 HIS HB- 30 LEU MDX 5.50 (# 2077:20 Preassigned 2.34, 4.98 A)
&rst
ixpk= 2077, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 433, 434,
igr2= 484, 485, 486, 488, 489, 490,
&end
#
# 30 LEU HN 30 LEU MDX 5.50 (# 2079:20 Preassigned 3.09, 4.98 A)
&rst
ixpk= 2079, nxpk= 20, iat= 475, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 484, 485, 486, 488, 489, 490,
&end
#
# 3 ASN HD2- 30 LEU MDX 5.50 (# 2080:20 Preassigned 2.63, 7.28 A)
&rst
ixpk= 2080, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 50, 51,
igr2= 484, 485, 486, 488, 489, 490,
&end
#
# 30 LEU HA 30 LEU MDX 5.50 (# 2081:20 Preassigned 2.19, 3.75 A)
&rst
ixpk= 2081, nxpk= 20, iat= 477, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 484, 485, 486, 488, 489, 490,
&end
#
# 27 HIS HB+ 30 LEU MDX 5.50 (# 2082:20 Preassigned 2.34, 4.98 A)
&rst
ixpk= 2082, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 433, 434,
igr2= 484, 485, 486, 488, 489, 490,
&end
#
# 29 GLU HG- 30 LEU MDX 5.50 (# 2083:20 Preassigned 2.20, 6.78 A)
&rst
ixpk= 2083, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 467, 468,
igr2= 484, 485, 486, 488, 489, 490,
&end
#
# 30 LEU HB- 30 LEU MDX 4.00 (# 2084:20 Preassigned 2.35, 3.37 A)
&rst
ixpk= 2084, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1= 479, 480,
igr2= 484, 485, 486, 488, 489, 490,
&end
#
# 5 ILE HB 30 LEU MDX 5.50 (# 2085:20 Preassigned 3.97, 6.34 A)
&rst
ixpk= 2085, nxpk= 20, iat= 73, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 484, 485, 486, 488, 489, 490,
&end
#
# 102 MET HA 103 LEU MDX 6.00 (# 2086:20 Preassigned 4.88, 6.80 A)
&rst
ixpk= 2086, nxpk= 20, iat=1599, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2=1623,1624,1625,1627,1628,1629,
&end
#
# 110 GLU HA 103 LEU MDX 5.50 (# 2087:20 Preassigned 2.33, 5.33 A)
&rst
ixpk= 2087, nxpk= 20, iat=1729, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1623,1624,1625,1627,1628,1629,
&end
#
# 58 LEU HB+ 60 LEU MDX 5.50 (# 2090:20 Preassigned 2.41, 6.93 A)
&rst
ixpk= 2090, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 861, 862,
igr2= 896, 897, 898, 900, 901, 902,
&end
#
# 7 VAL HN 6 LEU MDX 5.50 (# 2091:20 Preassigned 2.08, 4.18 A)
&rst
ixpk= 2091, nxpk= 20, iat= 107, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 97, 98, 99, 101, 102, 103,
&end
#
# 6 LEU HB- 6 LEU MDX 5.50 (# 2092:20 Preassigned 2.44, 3.32 A)
&rst
ixpk= 2092, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 92, 93,
igr2= 97, 98, 99, 101, 102, 103,
&end
#
# 0 AMB 20-2:2093 6 LEU MDX 4.00 (# 2093:20 Single Ambig )
&rst
ixpk= 2093, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 562, 563, 564,1094,1095,1096,1098,1099,1100,
igr2= 97, 98, 99, 101, 102, 103,
&end
#
# 79 ILE HG1- 6 LEU MDX 5.50 (# 2094:20 Preassigned 2.19, 5.92 A)
&rst
ixpk= 2094, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1215,1216,
igr2= 97, 98, 99, 101, 102, 103,
&end
#
# 68 ILE QD1 6 LEU MDX 4.00 (# 2095:20 Preassigned 2.25, 4.68 A)
&rst
ixpk= 2095, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.48, r4= 7.23,
igr1=1020,1021,1022,
igr2= 97, 98, 99, 101, 102, 103,
&end
#
# 8 VAL MGY 6 LEU MDX 4.00 (# 2096:20 Preassigned 2.35, 5.31 A)
&rst
ixpk= 2096, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.27, r4= 8.02,
igr1= 129, 130, 131, 133, 134, 135,
igr2= 97, 98, 99, 101, 102, 103,
&end
#
# 6 LEU HB+ 6 LEU MDX 5.50 (# 2097:20 Preassigned 2.44, 3.32 A)
&rst
ixpk= 2097, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 92, 93,
igr2= 97, 98, 99, 101, 102, 103,
&end
#
# 0 AMB 20-2:2098 57 GLN HB- 5.50 (# 2098:20 Single Ambig )
&rst
ixpk= 2098, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 840, 857,
igr2= 844, 845,
&end
#
# 57 GLN HA 57 GLN HB- 5.50 (# 2099:20 Preassigned 2.38, 2.75 A)
&rst
ixpk= 2099, nxpk= 20, iat= 842, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 844, 845,
&end
#
# 76 TYR HB- 31 LYS HG+ 5.50 (# 2100:20 Unique 5.45, 7.64 A)
&rst
ixpk= 2100, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1157,1158,
igr2= 501, 502,
&end
#
# 100 LYS HA 100 LYS HD- 5.50 (# 2102:20 Preassigned 2.26, 3.93 A)
&rst
ixpk= 2102, nxpk= 20, iat=1561, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1569,1570,
&end
#
# 119 LYS HE+ 119 LYS HG+ 5.50 (# 2103:20 Preassigned 2.45, 3.39 A)
&rst
ixpk= 2103, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1885,1886,
igr2=1879,1880,
&end
#
# 120 SER HN 119 LYS HG+ 5.50 (# 2105:20 Preassigned 2.55, 4.29 A)
&rst
ixpk= 2105, nxpk= 20, iat=1894, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1879,1880,
&end
#
# 116 PRO HA 119 LYS HG+ 5.50 (# 2106:20 Preassigned 2.23, 4.28 A)
&rst
ixpk= 2106, nxpk= 20, iat=1823, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1879,1880,
&end
#
# 0 AMB 20-2:2107 0 AMB 20-1:2107 4.00 (# 2107:20 Double Ambig )
&rst
ixpk= 2107, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
igr1=1876,1877,1876,1877,
igr2=1879,1880,1879,1880,
&end
#
# 119 LYS HN 119 LYS HG- 5.50 (# 2110:20 Preassigned 2.41, 3.47 A)
&rst
ixpk= 2110, nxpk= 20, iat=1872, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1879,1880,
&end
#
# 119 LYS HD+ 119 LYS HG- 4.00 (# 2112:20 Preassigned 2.29, 2.66 A)
&rst
ixpk= 2112, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=1882,1883,
igr2=1879,1880,
&end
#
# 40 LEU HA 40 LEU MDX 5.50 (# 2114:20 Preassigned 2.17, 3.93 A)
&rst
ixpk= 2114, nxpk= 20, iat= 613, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 620, 621, 622, 624, 625, 626,
&end
#
# 40 LEU HG 40 LEU MDX 2.80 (# 2115:20 Preassigned 2.43, 2.66 A)
&rst
ixpk= 2115, nxpk= 20, iat= 618, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 620, 621, 622, 624, 625, 626,
&end
#
# 0 AMB 20-2:2116 40 LEU MDX 4.00 (# 2116:20 Single Ambig )
&rst
ixpk= 2116, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.79, r4= 7.54,
igr1= 615, 616, 660, 661,
igr2= 620, 621, 622, 624, 625, 626,
&end
#
# 40 LEU HB- 40 LEU MDX 5.50 (# 2117:20 Preassigned 2.36, 3.33 A)
&rst
ixpk= 2117, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 615, 616,
igr2= 620, 621, 622, 624, 625, 626,
&end
#
# 22 LEU MDY 131 LEU MDY 5.50 (# 2118:20 Preassigned 2.26, 7.21 A)
&rst
ixpk= 2118, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 338, 339, 340, 342, 343, 344,
igr2=2077,2078,2079,2081,2082,2083,
&end
#
# 106 HIS HA 103 LEU MDX 6.00 (# 2120:20 Preassigned 3.17, 6.07 A)
&rst
ixpk= 2120, nxpk= 20, iat=1662, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2=1623,1624,1625,1627,1628,1629,
&end
#
# 0 AMB 20-2:2121 60 LEU MDX 4.00 (# 2121:20 Single Ambig )
&rst
ixpk= 2121, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.05, r4= 7.80,
igr1= 686, 687, 688, 256, 257,
igr2= 896, 897, 898, 900, 901, 902,
&end
#
# 50 ILE HN 60 LEU MDX 5.50 (# 2122:20 Preassigned 3.04, 5.39 A)
&rst
ixpk= 2122, nxpk= 20, iat= 742, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 896, 897, 898, 900, 901, 902,
&end
#
# 60 LEU HN 60 LEU MDX 5.50 (# 2123:20 Preassigned 2.08, 4.68 A)
&rst
ixpk= 2123, nxpk= 20, iat= 887, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 896, 897, 898, 900, 901, 902,
&end
#
# 61 GLU HN 60 LEU MDX 5.50 (# 2124:20 Unique 2.33, 5.75 A)
&rst
ixpk= 2124, nxpk= 20, iat= 906, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 896, 897, 898, 900, 901, 902,
&end
#
# 60 LEU HA 60 LEU MDX 5.50 (# 2125:20 Preassigned 2.22, 3.81 A)
&rst
ixpk= 2125, nxpk= 20, iat= 889, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 896, 897, 898, 900, 901, 902,
&end
#
# 18 THR HA 60 LEU MDX 5.50 (# 2126:20 Preassigned 2.34, 4.49 A)
&rst
ixpk= 2126, nxpk= 20, iat= 268, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 896, 897, 898, 900, 901, 902,
&end
#
# 50 ILE HA 60 LEU MDX 5.50 (# 2127:20 Preassigned 2.11, 4.40 A)
&rst
ixpk= 2127, nxpk= 20, iat= 744, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 896, 897, 898, 900, 901, 902,
&end
#
# 53 ALA MB 60 LEU MDX 4.00 (# 2128:20 Preassigned 2.28, 4.14 A)
&rst
ixpk= 2128, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.48, r4= 7.23,
igr1= 792, 793, 794,
igr2= 896, 897, 898, 900, 901, 902,
&end
#
# 60 LEU HG 60 LEU MDX 4.00 (# 2129:20 Preassigned 2.34, 2.65 A)
&rst
ixpk= 2129, nxpk= 20, iat= 894, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr2= 896, 897, 898, 900, 901, 902,
&end
#
# 58 LEU MDY 60 LEU MDX 4.00 (# 2130:20 Preassigned 2.16, 6.91 A)
&rst
ixpk= 2130, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.27, r4= 8.02,
igr1= 866, 867, 868, 870, 871, 872,
igr2= 896, 897, 898, 900, 901, 902,
&end
#
# 53 ALA HA 60 LEU MDX 6.00 (# 2131:20 Preassigned 4.65, 6.28 A)
&rst
ixpk= 2131, nxpk= 20, iat= 790, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 896, 897, 898, 900, 901, 902,
&end
#
# 49 ALA MB 60 LEU MDX 2.80 (# 2132:20 Preassigned 2.22, 4.68 A)
&rst
ixpk= 2132, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 736, 737, 738,
igr2= 896, 897, 898, 900, 901, 902,
&end
#
# 2 PHE HE 78 LEU MDX 5.50 (# 2133:20 Preassigned 2.78, 5.66 A)
&rst
ixpk= 2133, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 31, 35,
igr2=1195,1196,1197,1199,1200,1201,
&end
#
# 0 AMB 20-2:2134 78 LEU MDX 5.50 (# 2134:20 Single Ambig )
&rst
ixpk= 2134, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.25, r4=11.00,
igr1=1231,2258,2259,2260,2262,2263,2264,
igr2=1195,1196,1197,1199,1200,1201,
&end
#
# 138 TRP HZ2 78 LEU MDX 5.50 (# 2136:20 Preassigned 5.23, 7.39 A)
&rst
ixpk= 2136, nxpk= 20, iat=2201, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1195,1196,1197,1199,1200,1201,
&end
#
# 2 PHE HD 78 LEU MDX 5.50 (# 2137:20 Preassigned 2.78, 5.35 A)
&rst
ixpk= 2137, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 29, 37,
igr2=1195,1196,1197,1199,1200,1201,
&end
#
# 2 PHE HB- 78 LEU MDX 6.00 (# 2138:20 Preassigned 2.60, 5.18 A)
&rst
ixpk= 2138, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 25, 26,
igr2=1195,1196,1197,1199,1200,1201,
&end
#
# 0 AMB 20-2:2139 78 LEU MDX 5.50 (# 2139:20 Single Ambig )
&rst
ixpk= 2139, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 79, 80,1569,1570,
igr2=1195,1196,1197,1199,1200,1201,
&end
#
# 78 LEU HB+ 78 LEU MDX 4.00 (# 2140:20 Preassigned 2.39, 3.37 A)
&rst
ixpk= 2140, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1=1190,1191,
igr2=1195,1196,1197,1199,1200,1201,
&end
#
# 78 LEU HB- 78 LEU MDX 4.00 (# 2141:20 Preassigned 2.39, 3.37 A)
&rst
ixpk= 2141, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1=1190,1191,
igr2=1195,1196,1197,1199,1200,1201,
&end
#
# 80 LEU MDX 78 LEU MDX 5.50 (# 2143:20 Preassigned 2.24, 5.18 A)
&rst
ixpk= 2143, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=1233,1234,1235,1237,1238,1239,
igr2=1195,1196,1197,1199,1200,1201,
&end
#
# 0 AMB 20-2:2144 78 LEU MDX 5.50 (# 2144:20 Single Ambig )
&rst
ixpk= 2144, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.25, r4=11.00,
igr1=1231,2258,2259,2260,2262,2263,2264,
igr2=1195,1196,1197,1199,1200,1201,
&end
#
# 142 LEU MDX 78 LEU MDX 5.50 (# 2145:20 Preassigned 2.43, 6.03 A)
&rst
ixpk= 2145, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=2258,2259,2260,2262,2263,2264,
igr2=1195,1196,1197,1199,1200,1201,
&end
#
# 31 LYS HB- 31 LYS HG+ 4.00 (# 2147:20 Preassigned 2.30, 2.72 A)
&rst
ixpk= 2147, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1= 498, 499,
igr2= 501, 502,
&end
#
# 0 AMB 20-2:2149 0 AMB 20-1:2149 2.80 (# 2149:20 Double Ambig )
&rst
ixpk= 2149, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 504, 505, 504, 505,
igr2= 501, 502, 501, 502,
&end
#
# 100 LYS HA 100 LYS HD- 5.50 (# 2150:20 Preassigned 2.26, 3.93 A)
&rst
ixpk= 2150, nxpk= 20, iat=1561, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1569,1570,
&end
#
# 119 LYS HN 119 LYS HG+ 5.50 (# 2151:20 Preassigned 2.41, 3.47 A)
&rst
ixpk= 2151, nxpk= 20, iat=1872, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1879,1880,
&end
#
# 123 THR MG2 119 LYS HG+ 5.50 (# 2152:20 Preassigned 2.42, 5.02 A)
&rst
ixpk= 2152, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1950,1951,1952,
igr2=1879,1880,
&end
#
# 31 LYS HB+ 31 LYS HG- 5.50 (# 2154:20 Unique 2.30, 2.72 A)
&rst
ixpk= 2154, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 498, 499,
igr2= 501, 502,
&end
#
# 100 LYS HA 0 AMB 20-1:2157 5.50 (# 2157:20 Single Ambig )
&rst
ixpk= 2157, nxpk= 20, iat=1561, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1566,1567,1566,1567,
&end
#
# 135 ALA HA 23 LEU MDY 5.50 (# 2159:20 Preassigned 2.55, 4.07 A)
&rst
ixpk= 2159, nxpk= 20, iat=2139, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 357, 358, 359, 361, 362, 363,
&end
#
# 0 AMB 20-2:2162 131 LEU MDY 5.50 (# 2162:20 Single Ambig )
&rst
ixpk= 2162, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2016, 282,
igr2=2077,2078,2079,2081,2082,2083,
&end
#
# 104 PHE HE 131 LEU MDY 5.50 (# 2165:20 Preassigned 2.89, 6.80 A)
&rst
ixpk= 2165, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1643,1647,
igr2=2077,2078,2079,2081,2082,2083,
&end
#
# 104 PHE HD 131 LEU MDY 5.50 (# 2166:20 Preassigned 3.15, 6.85 A)
&rst
ixpk= 2166, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1641,1649,
igr2=2077,2078,2079,2081,2082,2083,
&end
#
# 131 LEU HA 131 LEU MDY 4.00 (# 2167:20 Preassigned 2.10, 4.49 A)
&rst
ixpk= 2167, nxpk= 20, iat=2070, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr2=2077,2078,2079,2081,2082,2083,
&end
#
# 131 LEU HG 131 LEU MDY 5.50 (# 2168:20 Preassigned 2.34, 2.65 A)
&rst
ixpk= 2168, nxpk= 20, iat=2075, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=2077,2078,2079,2081,2082,2083,
&end
#
# 82 MET ME 131 LEU MDY 5.50 (# 2169:20 Preassigned 2.16, 4.59 A)
&rst
ixpk= 2169, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1268,1269,1270,
igr2=2077,2078,2079,2081,2082,2083,
&end
#
# 18 THR MG2 131 LEU MDY 5.50 (# 2170:20 Preassigned 2.38, 5.00 A)
&rst
ixpk= 2170, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 272, 273, 274,
igr2=2077,2078,2079,2081,2082,2083,
&end
#
# 131 LEU HN 131 LEU MDY 5.50 (# 2171:20 Preassigned 1.96, 4.11 A)
&rst
ixpk= 2171, nxpk= 20, iat=2068, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=2077,2078,2079,2081,2082,2083,
&end
#
# 0 AMB 20-2:2172 131 LEU MDY 7.00 (# 2172:20 Single Ambig )
&rst
ixpk= 2172, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 282,2000,
igr2=2077,2078,2079,2081,2082,2083,
&end
#
# 37 LEU HN 37 LEU MDX 5.50 (# 2173:20 Preassigned 2.41, 4.91 A)
&rst
ixpk= 2173, nxpk= 20, iat= 575, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 584, 585, 586, 588, 589, 590,
&end
#
# 86 HIS HD1 37 LEU MDX 5.50 (# 2174:20 Preassigned 2.32, 4.57 A)
&rst
ixpk= 2174, nxpk= 20, iat=1343, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 584, 585, 586, 588, 589, 590,
&end
#
# 86 HIS HA 37 LEU MDX 5.50 (# 2175:20 Preassigned 2.25, 4.08 A)
&rst
ixpk= 2175, nxpk= 20, iat=1337, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 584, 585, 586, 588, 589, 590,
&end
#
# 86 HIS HB- 37 LEU MDX 5.50 (# 2177:20 Preassigned 2.27, 5.25 A)
&rst
ixpk= 2177, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1339,1340,
igr2= 584, 585, 586, 588, 589, 590,
&end
#
# 0 AMB 20-2:2179 37 LEU MDX 5.50 (# 2179:20 Single Ambig )
&rst
ixpk= 2179, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.70, r4=10.45,
igr1=1390,1391,1466,1467,1468,
igr2= 584, 585, 586, 588, 589, 590,
&end
#
# 0 AMB 20-2:2180 37 LEU MDX 4.00 (# 2180:20 Single Ambig )
&rst
ixpk= 2180, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.48, r4= 7.23,
igr1= 579, 580, 127,
igr2= 584, 585, 586, 588, 589, 590,
&end
#
# 90 LEU HN 37 LEU MDX 5.50 (# 2182:20 Preassigned 2.34, 4.82 A)
&rst
ixpk= 2182, nxpk= 20, iat=1410, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 584, 585, 586, 588, 589, 590,
&end
#
# 89 ARG HN 37 LEU MDX 6.00 (# 2183:20 Preassigned 3.94, 5.78 A)
&rst
ixpk= 2183, nxpk= 20, iat=1386, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 584, 585, 586, 588, 589, 590,
&end
#
# 89 ARG HA 37 LEU MDX 6.00 (# 2185:20 Preassigned 4.48, 6.25 A)
&rst
ixpk= 2185, nxpk= 20, iat=1388, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 584, 585, 586, 588, 589, 590,
&end
#
# 37 LEU HA 37 LEU MDX 5.50 (# 2186:20 Preassigned 2.20, 3.86 A)
&rst
ixpk= 2186, nxpk= 20, iat= 577, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 584, 585, 586, 588, 589, 590,
&end
#
# 90 LEU HG 37 LEU MDX 5.50 (# 2187:20 Preassigned 2.29, 5.26 A)
&rst
ixpk= 2187, nxpk= 20, iat=1417, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 584, 585, 586, 588, 589, 590,
&end
#
# 0 AMB 20-2:2189 37 LEU MDX 4.00 (# 2189:20 Single Ambig )
&rst
ixpk= 2189, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.16, r4= 8.91,
igr1=1419,1420,1421,1423,1424,1425, 129, 130, 131, 133,
134, 135,
igr2= 584, 585, 586, 588, 589, 590,
&end
#
# 79 ILE HN 78 LEU MDX 5.50 (# 2190:20 Preassigned 2.06, 4.37 A)
&rst
ixpk= 2190, nxpk= 20, iat=1205, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1195,1196,1197,1199,1200,1201,
&end
#
# 78 LEU HA 78 LEU MDX 5.50 (# 2191:20 Preassigned 2.13, 3.79 A)
&rst
ixpk= 2191, nxpk= 20, iat=1188, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1195,1196,1197,1199,1200,1201,
&end
#
# 2 PHE HB+ 78 LEU MDX 6.00 (# 2192:20 Preassigned 2.60, 5.18 A)
&rst
ixpk= 2192, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 25, 26,
igr2=1195,1196,1197,1199,1200,1201,
&end
#
# 78 LEU HG 78 LEU MDX 4.00 (# 2193:20 Preassigned 2.34, 2.65 A)
&rst
ixpk= 2193, nxpk= 20, iat=1193, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr2=1195,1196,1197,1199,1200,1201,
&end
#
# 5 ILE QD1 78 LEU MDX 4.00 (# 2194:20 Preassigned 2.32, 5.85 A)
&rst
ixpk= 2194, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.48, r4= 7.23,
igr1= 82, 83, 84,
igr2=1195,1196,1197,1199,1200,1201,
&end
#
# 31 LYS HN 31 LYS HG+ 7.00 (# 2195:20 Preassigned 2.21, 3.87 A)
&rst
ixpk= 2195, nxpk= 20, iat= 494, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 501, 502,
&end
#
# 32 VAL HN 31 LYS HG+ 5.50 (# 2196:20 Preassigned 2.40, 3.83 A)
&rst
ixpk= 2196, nxpk= 20, iat= 516, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 501, 502,
&end
#
# 23 LEU HN 23 LEU MDY 5.50 (# 2198:20 Preassigned 2.38, 4.45 A)
&rst
ixpk= 2198, nxpk= 20, iat= 348, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 357, 358, 359, 361, 362, 363,
&end
#
# 104 PHE HE 23 LEU MDY 5.50 (# 2199:20 Preassigned 2.54, 5.43 A)
&rst
ixpk= 2199, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1643,1647,
igr2= 357, 358, 359, 361, 362, 363,
&end
#
# 27 HIS HD2 23 LEU MDY 5.50 (# 2200:20 Preassigned 2.91, 6.63 A)
&rst
ixpk= 2200, nxpk= 20, iat= 442, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 357, 358, 359, 361, 362, 363,
&end
#
# 23 LEU HA 23 LEU MDY 4.00 (# 2201:20 Preassigned 2.15, 3.80 A)
&rst
ixpk= 2201, nxpk= 20, iat= 350, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr2= 357, 358, 359, 361, 362, 363,
&end
#
# 139 ALA HA 23 LEU MDY 5.50 (# 2202:20 Preassigned 3.08, 5.69 A)
&rst
ixpk= 2202, nxpk= 20, iat=2214, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 357, 358, 359, 361, 362, 363,
&end
#
# 0 AMB 20-2:2203 23 LEU MDY 5.50 (# 2203:20 Single Ambig )
&rst
ixpk= 2203, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.70, r4=10.45,
igr1=2141,2142,2143, 352, 353,
igr2= 357, 358, 359, 361, 362, 363,
&end
#
# 32 VAL MGY 23 LEU MDY 4.00 (# 2204:20 Preassigned 2.33, 5.55 A)
&rst
ixpk= 2204, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.27, r4= 8.02,
igr1= 522, 523, 524, 526, 527, 528,
igr2= 357, 358, 359, 361, 362, 363,
&end
#
# 19 ALA MB 23 LEU MDY 2.80 (# 2205:20 Preassigned 3.00, 6.09 A)
&rst
ixpk= 2205, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 284, 285, 286,
igr2= 357, 358, 359, 361, 362, 363,
&end
#
# 138 TRP HB+ 23 LEU MDY 4.00 (# 2206:20 Preassigned 2.23, 4.21 A)
&rst
ixpk= 2206, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1=2192,2193,
igr2= 357, 358, 359, 361, 362, 363,
&end
#
# 23 LEU HB+ 23 LEU MDY 4.00 (# 2207:20 Preassigned 2.41, 3.34 A)
&rst
ixpk= 2207, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1= 352, 353,
igr2= 357, 358, 359, 361, 362, 363,
&end
#
# 0 AMB 20-2:2208 23 LEU MDY 5.50 (# 2208:20 Single Ambig )
&rst
ixpk= 2208, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.69, r4=11.44,
igr1= 75, 76, 77, 113, 114, 115, 117, 118, 119,
igr2= 357, 358, 359, 361, 362, 363,
&end
#
# 80 LEU MDX 23 LEU MDY 5.50 (# 2209:20 Preassigned 2.35, 5.95 A)
&rst
ixpk= 2209, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=1233,1234,1235,1237,1238,1239,
igr2= 357, 358, 359, 361, 362, 363,
&end
#
# 0 AMB 20-2:2210 127 VAL MGY 5.50 (# 2210:20 Single Ambig )
&rst
ixpk= 2210, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1988,2035,
igr2=2004,2005,2006,2008,2009,2010,
&end
#
# 116 PRO HA 127 VAL MGY 5.50 (# 2211:20 Preassigned 3.35, 5.26 A)
&rst
ixpk= 2211, nxpk= 20, iat=1823, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=2004,2005,2006,2008,2009,2010,
&end
#
# 116 PRO HD+ 127 VAL MGY 5.50 (# 2216:20 Unique 2.12, 4.31 A)
&rst
ixpk= 2216, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1814,1815,
igr2=2004,2005,2006,2008,2009,2010,
&end
#
# 23 LEU HN 23 LEU MDX 5.50 (# 2217:20 Preassigned 2.38, 4.45 A)
&rst
ixpk= 2217, nxpk= 20, iat= 348, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 357, 358, 359, 361, 362, 363,
&end
#
# 138 TRP HB- 23 LEU MDX 5.50 (# 2218:20 Preassigned 2.23, 4.21 A)
&rst
ixpk= 2218, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2192,2193,
igr2= 357, 358, 359, 361, 362, 363,
&end
#
# 0 AMB 20-2:2219 23 LEU MDX 5.50 (# 2219:20 Single Ambig )
&rst
ixpk= 2219, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.69, r4=11.44,
igr1= 75, 76, 77, 113, 114, 115, 117, 118, 119,
igr2= 357, 358, 359, 361, 362, 363,
&end
#
# 0 AMB 20-2:2222 90 LEU MDY 7.00 (# 2222:20 Single Ambig )
&rst
ixpk= 2222, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1=1455,1352,
igr2=1419,1420,1421,1423,1424,1425,
&end
#
# 90 LEU HG 90 LEU MDY 4.00 (# 2223:20 Preassigned 2.39, 2.66 A)
&rst
ixpk= 2223, nxpk= 20, iat=1417, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr2=1419,1420,1421,1423,1424,1425,
&end
#
# 8 VAL HB 90 LEU MDY 5.50 (# 2224:20 Preassigned 2.40, 4.24 A)
&rst
ixpk= 2224, nxpk= 20, iat= 127, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1419,1420,1421,1423,1424,1425,
&end
#
# 90 LEU HB- 90 LEU MDY 4.00 (# 2225:20 Preassigned 2.31, 3.33 A)
&rst
ixpk= 2225, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1=1414,1415,
igr2=1419,1420,1421,1423,1424,1425,
&end
#
# 90 LEU HN 90 LEU MDY 5.50 (# 2226:20 Preassigned 2.63, 4.87 A)
&rst
ixpk= 2226, nxpk= 20, iat=1410, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1419,1420,1421,1423,1424,1425,
&end
#
# 81 THR HB 90 LEU MDY 6.00 (# 2227:20 Preassigned 2.95, 5.42 A)
&rst
ixpk= 2227, nxpk= 20, iat=1247, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2=1419,1420,1421,1423,1424,1425,
&end
#
# 90 LEU HA 90 LEU MDY 5.50 (# 2228:20 Unique 2.20, 3.91 A)
&rst
ixpk= 2228, nxpk= 20, iat=1412, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1419,1420,1421,1423,1424,1425,
&end
#
# 0 AMB 20-2:2229 90 LEU MDY 4.00 (# 2229:20 Single Ambig )
&rst
ixpk= 2229, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.79, r4= 7.54,
igr1=1414,1415,1515,1516,
igr2=1419,1420,1421,1423,1424,1425,
&end
#
# 91 CYS HN 90 LEU MDY 6.00 (# 2230:20 Preassigned 4.34, 5.61 A)
&rst
ixpk= 2230, nxpk= 20, iat=1429, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2=1419,1420,1421,1423,1424,1425,
&end
#
# 89 ARG HG- 37 LEU MDX 5.50 (# 2231:20 Preassigned 2.36, 5.53 A)
&rst
ixpk= 2231, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1393,1394,
igr2= 584, 585, 586, 588, 589, 590,
&end
#
# 69 SER HB+ 72 LEU MDY 5.50 (# 2234:20 Preassigned 2.49, 5.77 A)
&rst
ixpk= 2234, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1030,1031,
igr2=1094,1095,1096,1098,1099,1100,
&end
#
# 66 ARG HD+ 72 LEU MDY 7.00 (# 2235:20 Preassigned 2.56, 6.64 A)
&rst
ixpk= 2235, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 976, 977,
igr2=1094,1095,1096,1098,1099,1100,
&end
#
# 66 ARG HD- 72 LEU MDY 7.00 (# 2236:20 Preassigned 2.56, 6.64 A)
&rst
ixpk= 2236, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 976, 977,
igr2=1094,1095,1096,1098,1099,1100,
&end
#
# 67 GLN HB+ 72 LEU MDY 7.00 (# 2237:20 Unique 5.38, 7.90 A)
&rst
ixpk= 2237, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 994, 995,
igr2=1094,1095,1096,1098,1099,1100,
&end
#
# 6 LEU MDX 72 LEU MDY 6.00 (# 2238:20 Preassigned 2.77, 6.67 A)
&rst
ixpk= 2238, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.90, r4=11.65,
igr1= 97, 98, 99, 101, 102, 103,
igr2=1094,1095,1096,1098,1099,1100,
&end
#
# 66 ARG HA 72 LEU MDY 6.00 (# 2239:20 Unique 5.97, 7.74 A)
&rst
ixpk= 2239, nxpk= 20, iat= 968, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2=1094,1095,1096,1098,1099,1100,
&end
#
# 139 ALA HN 23 LEU MDY 5.50 (# 2241:20 Preassigned 2.81, 5.03 A)
&rst
ixpk= 2241, nxpk= 20, iat=2212, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 357, 358, 359, 361, 362, 363,
&end
#
# 116 PRO HA 127 VAL MGY 5.50 (# 2242:20 Preassigned 3.35, 5.26 A)
&rst
ixpk= 2242, nxpk= 20, iat=1823, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=2004,2005,2006,2008,2009,2010,
&end
#
# 128 TYR HN 127 VAL MGY 5.50 (# 2243:20 Preassigned 2.59, 4.49 A)
&rst
ixpk= 2243, nxpk= 20, iat=2014, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=2004,2005,2006,2008,2009,2010,
&end
#
# 127 VAL HN 127 VAL MGY 5.50 (# 2244:20 Preassigned 2.25, 3.64 A)
&rst
ixpk= 2244, nxpk= 20, iat=1998, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=2004,2005,2006,2008,2009,2010,
&end
#
# 116 PRO HD+ 127 VAL MGY 5.50 (# 2245:20 Preassigned 2.12, 4.31 A)
&rst
ixpk= 2245, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1814,1815,
igr2=2004,2005,2006,2008,2009,2010,
&end
#
# 127 VAL HA 127 VAL MGY 4.00 (# 2246:20 Preassigned 2.39, 3.25 A)
&rst
ixpk= 2246, nxpk= 20, iat=2000, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr2=2004,2005,2006,2008,2009,2010,
&end
#
# 127 VAL HB 127 VAL MGY 4.00 (# 2247:20 Preassigned 2.36, 2.66 A)
&rst
ixpk= 2247, nxpk= 20, iat=2002, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr2=2004,2005,2006,2008,2009,2010,
&end
#
# 114 PRO HD+ 127 VAL MGY 5.50 (# 2249:20 Preassigned 2.32, 5.25 A)
&rst
ixpk= 2249, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1788,1789,
igr2=2004,2005,2006,2008,2009,2010,
&end
#
# 104 PHE HE 23 LEU MDX 5.50 (# 2250:20 Preassigned 2.54, 5.43 A)
&rst
ixpk= 2250, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1643,1647,
igr2= 357, 358, 359, 361, 362, 363,
&end
#
# 139 ALA HN 23 LEU MDX 6.00 (# 2251:20 Preassigned 2.81, 5.03 A)
&rst
ixpk= 2251, nxpk= 20, iat=2212, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 357, 358, 359, 361, 362, 363,
&end
#
# 24 GLN HN 23 LEU MDX 5.50 (# 2252:20 Preassigned 4.78, 5.76 A)
&rst
ixpk= 2252, nxpk= 20, iat= 367, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 357, 358, 359, 361, 362, 363,
&end
#
# 104 PHE HZ 23 LEU MDX 5.50 (# 2253:20 Preassigned 2.19, 4.02 A)
&rst
ixpk= 2253, nxpk= 20, iat=1645, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 357, 358, 359, 361, 362, 363,
&end
#
# 27 HIS HD2 23 LEU MDX 7.00 (# 2254:20 Preassigned 2.91, 6.63 A)
&rst
ixpk= 2254, nxpk= 20, iat= 442, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr2= 357, 358, 359, 361, 362, 363,
&end
#
# 138 TRP HA 23 LEU MDX 5.50 (# 2255:20 Preassigned 4.54, 6.58 A)
&rst
ixpk= 2255, nxpk= 20, iat=2190, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 357, 358, 359, 361, 362, 363,
&end
#
# 135 ALA HA 23 LEU MDX 5.50 (# 2256:20 Preassigned 2.55, 4.07 A)
&rst
ixpk= 2256, nxpk= 20, iat=2139, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 357, 358, 359, 361, 362, 363,
&end
#
# 20 GLU HA 23 LEU MDX 6.00 (# 2257:20 Preassigned 2.41, 5.20 A)
&rst
ixpk= 2257, nxpk= 20, iat= 292, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 357, 358, 359, 361, 362, 363,
&end
#
# 138 TRP HB+ 23 LEU MDX 5.50 (# 2258:20 Preassigned 2.23, 4.21 A)
&rst
ixpk= 2258, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2192,2193,
igr2= 357, 358, 359, 361, 362, 363,
&end
#
# 23 LEU HB+ 23 LEU MDX 5.50 (# 2259:20 Preassigned 2.41, 3.34 A)
&rst
ixpk= 2259, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 352, 353,
igr2= 357, 358, 359, 361, 362, 363,
&end
#
# 87 ILE HB 101 VAL MGX 5.50 (# 2260:20 Preassigned 2.14, 7.07 A)
&rst
ixpk= 2260, nxpk= 20, iat=1356, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1587,1588,1589,1591,1592,1593,
&end
#
# 93 MET ME 90 LEU MDY 5.50 (# 2261:20 Preassigned 2.36, 6.89 A)
&rst
ixpk= 2261, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1466,1467,1468,
igr2=1419,1420,1421,1423,1424,1425,
&end
#
# 75 ASN HD2- 72 LEU MDY 5.50 (# 2262:20 Preassigned 3.85, 7.31 A)
&rst
ixpk= 2262, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1148,1149,
igr2=1094,1095,1096,1098,1099,1100,
&end
#
# 69 SER HN 72 LEU MDY 5.50 (# 2263:20 Preassigned 2.46, 4.47 A)
&rst
ixpk= 2263, nxpk= 20, iat=1026, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1094,1095,1096,1098,1099,1100,
&end
#
# 72 LEU HN 72 LEU MDY 5.50 (# 2265:20 Preassigned 2.54, 4.34 A)
&rst
ixpk= 2265, nxpk= 20, iat=1085, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1094,1095,1096,1098,1099,1100,
&end
#
# 75 ASN HD2+ 72 LEU MDY 5.50 (# 2266:20 Preassigned 3.85, 7.31 A)
&rst
ixpk= 2266, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1148,1149,
igr2=1094,1095,1096,1098,1099,1100,
&end
#
# 76 TYR HE 72 LEU MDY 4.00 (# 2267:20 Preassigned 2.24, 6.11 A)
&rst
ixpk= 2267, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1=1163,1168,
igr2=1094,1095,1096,1098,1099,1100,
&end
#
# 72 LEU HA 72 LEU MDY 4.00 (# 2269:20 Preassigned 2.16, 3.92 A)
&rst
ixpk= 2269, nxpk= 20, iat=1087, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr2=1094,1095,1096,1098,1099,1100,
&end
#
# 0 AMB 20-2:2270 72 LEU MDY 5.50 (# 2270:20 Single Ambig )
&rst
ixpk= 2270, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1143,1144,1143,1144,
igr2=1094,1095,1096,1098,1099,1100,
&end
#
# 0 AMB 20-2:2271 72 LEU MDY 5.50 (# 2271:20 Single Ambig )
&rst
ixpk= 2271, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1089,1090,1065,1066,
igr2=1094,1095,1096,1098,1099,1100,
&end
#
# 72 LEU HB- 72 LEU MDY 5.50 (# 2272:20 Preassigned 2.37, 3.34 A)
&rst
ixpk= 2272, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1089,1090,
igr2=1094,1095,1096,1098,1099,1100,
&end
#
# 6 LEU MDY 72 LEU MDY 6.00 (# 2275:20 Preassigned 2.77, 6.67 A)
&rst
ixpk= 2275, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.90, r4=11.65,
igr1= 97, 98, 99, 101, 102, 103,
igr2=1094,1095,1096,1098,1099,1100,
&end
#
# 0 AMB 20-2:2277 0 AMB 20-1:2277 5.50 (# 2277:20 Double Ambig )
&rst
ixpk= 2277, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=1837,1842,1581,
igr2= 620, 621, 622, 624, 625, 626,1587,1588,1589,1591,
1592,1593,
&end
#
# 102 MET HN 101 VAL MGX 5.50 (# 2279:20 Preassigned 2.30, 4.40 A)
&rst
ixpk= 2279, nxpk= 20, iat=1597, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1587,1588,1589,1591,1592,1593,
&end
#
# 101 VAL HA 101 VAL MGX 5.50 (# 2280:20 Preassigned 2.35, 3.18 A)
&rst
ixpk= 2280, nxpk= 20, iat=1583, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1587,1588,1589,1591,1592,1593,
&end
#
# 138 TRP HE1 80 LEU MDY 5.50 (# 2282:20 Preassigned 2.73, 4.90 A)
&rst
ixpk= 2282, nxpk= 20, iat=2198, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1233,1234,1235,1237,1238,1239,
&end
#
# 81 THR HN 80 LEU MDY 5.50 (# 2283:20 Preassigned 3.80, 5.32 A)
&rst
ixpk= 2283, nxpk= 20, iat=1243, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1233,1234,1235,1237,1238,1239,
&end
#
# 138 TRP HZ2 80 LEU MDY 5.50 (# 2284:20 Preassigned 2.97, 5.39 A)
&rst
ixpk= 2284, nxpk= 20, iat=2201, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1233,1234,1235,1237,1238,1239,
&end
#
# 101 VAL HA 80 LEU MDY 6.00 (# 2285:20 Preassigned 4.55, 6.73 A)
&rst
ixpk= 2285, nxpk= 20, iat=1583, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2=1233,1234,1235,1237,1238,1239,
&end
#
# 102 MET HA 80 LEU MDY 5.50 (# 2286:20 Preassigned 4.59, 6.88 A)
&rst
ixpk= 2286, nxpk= 20, iat=1599, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1233,1234,1235,1237,1238,1239,
&end
#
# 0 AMB 20-2:2287 80 LEU MDY 5.50 (# 2287:20 Single Ambig )
&rst
ixpk= 2287, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1601,1602,1604,1605,
igr2=1233,1234,1235,1237,1238,1239,
&end
#
# 102 MET HB- 80 LEU MDY 5.50 (# 2288:20 Preassigned 2.23, 5.02 A)
&rst
ixpk= 2288, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1601,1602,
igr2=1233,1234,1235,1237,1238,1239,
&end
#
# 102 MET ME 80 LEU MDY 6.00 (# 2289:20 Preassigned 2.34, 5.48 A)
&rst
ixpk= 2289, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.71, r4=10.46,
igr1=1608,1609,1610,
igr2=1233,1234,1235,1237,1238,1239,
&end
#
# 7 VAL MGY 80 LEU MDY 5.50 (# 2291:20 Preassigned 2.68, 6.60 A)
&rst
ixpk= 2291, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 113, 114, 115, 117, 118, 119,
igr2=1233,1234,1235,1237,1238,1239,
&end
#
# 22 LEU HN 22 LEU MDX 5.50 (# 2295:20 Preassigned 2.77, 4.54 A)
&rst
ixpk= 2295, nxpk= 20, iat= 329, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 26 TYR HE 22 LEU MDX 5.50 (# 2296:20 Preassigned 2.19, 5.87 A)
&rst
ixpk= 2296, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 418, 423,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 128 TYR HE 22 LEU MDX 5.50 (# 2297:20 Preassigned 2.20, 5.07 A)
&rst
ixpk= 2297, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2024,2029,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 22 LEU HA 22 LEU MDX 2.80 (# 2298:20 Preassigned 2.12, 3.83 A)
&rst
ixpk= 2298, nxpk= 20, iat= 331, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 25 ARG HD+ 22 LEU MDX 7.00 (# 2299:20 Preassigned 2.36, 6.11 A)
&rst
ixpk= 2299, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 394, 395,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 132 GLU HG+ 22 LEU MDX 5.50 (# 2300:20 Preassigned 2.19, 4.11 A)
&rst
ixpk= 2300, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2094,2095,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 132 GLU HG- 22 LEU MDX 5.50 (# 2301:20 Preassigned 2.19, 4.11 A)
&rst
ixpk= 2301, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2094,2095,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 135 ALA MB 22 LEU MDX 4.00 (# 2302:20 Preassigned 2.42, 5.01 A)
&rst
ixpk= 2302, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.48, r4= 7.23,
igr1=2141,2142,2143,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 22 LEU HG 22 LEU MDX 2.80 (# 2303:20 Preassigned 2.39, 2.66 A)
&rst
ixpk= 2303, nxpk= 20, iat= 336, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 0 AMB 20-2:2305 40 LEU MDY 4.00 (# 2305:20 Single Ambig )
&rst
ixpk= 2305, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.79, r4= 7.54,
igr1= 615, 616, 660, 661,
igr2= 620, 621, 622, 624, 625, 626,
&end
#
# 40 LEU HN 40 LEU MDY 5.50 (# 2306:20 Preassigned 2.67, 4.44 A)
&rst
ixpk= 2306, nxpk= 20, iat= 611, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 620, 621, 622, 624, 625, 626,
&end
#
# 41 VAL HN 40 LEU MDY 5.50 (# 2307:20 Preassigned 4.41, 6.19 A)
&rst
ixpk= 2307, nxpk= 20, iat= 630, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 620, 621, 622, 624, 625, 626,
&end
#
# 117 TYR HE 40 LEU MDY 6.00 (# 2308:20 Preassigned 2.36, 5.81 A)
&rst
ixpk= 2308, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1837,1842,
igr2= 620, 621, 622, 624, 625, 626,
&end
#
# 40 LEU HA 40 LEU MDY 4.00 (# 2309:20 Preassigned 2.17, 3.93 A)
&rst
ixpk= 2309, nxpk= 20, iat= 613, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr2= 620, 621, 622, 624, 625, 626,
&end
#
# 87 ILE HN 101 VAL MGX 5.50 (# 2311:20 Preassigned 4.69, 6.90 A)
&rst
ixpk= 2311, nxpk= 20, iat=1352, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1587,1588,1589,1591,1592,1593,
&end
#
# 101 VAL HB 101 VAL MGX 4.00 (# 2312:20 Preassigned 2.39, 2.66 A)
&rst
ixpk= 2312, nxpk= 20, iat=1585, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr2=1587,1588,1589,1591,1592,1593,
&end
#
# 87 ILE HA 101 VAL MGX 5.50 (# 2313:20 Preassigned 2.23, 4.45 A)
&rst
ixpk= 2313, nxpk= 20, iat=1354, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1587,1588,1589,1591,1592,1593,
&end
#
# 48 THR HA 48 THR MG2 4.00 (# 2314:20 Preassigned 2.38, 2.97 A)
&rst
ixpk= 2314, nxpk= 20, iat= 720, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2= 724, 725, 726,
&end
#
# 52 VAL HN 48 THR MG2 6.00 (# 2315:20 Preassigned 4.10, 5.48 A)
&rst
ixpk= 2315, nxpk= 20, iat= 772, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 724, 725, 726,
&end
#
# 124 PHE HN 48 THR MG2 6.00 (# 2316:20 Preassigned 4.32, 5.25 A)
&rst
ixpk= 2316, nxpk= 20, iat=1958, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 724, 725, 726,
&end
#
# 124 PHE HB+ 48 THR MG2 5.50 (# 2318:20 Preassigned 2.51, 4.28 A)
&rst
ixpk= 2318, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1962,1963,
igr2= 724, 725, 726,
&end
#
# 121 ARG HD+ 48 THR MG2 5.50 (# 2319:20 Preassigned 3.61, 5.46 A)
&rst
ixpk= 2319, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1915,1916,
igr2= 724, 725, 726,
&end
#
# 121 ARG HB- 48 THR MG2 5.50 (# 2320:20 Preassigned 2.63, 4.57 A)
&rst
ixpk= 2320, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1909,1910,
igr2= 724, 725, 726,
&end
#
# 121 ARG HB+ 48 THR MG2 5.50 (# 2321:20 Preassigned 2.63, 4.57 A)
&rst
ixpk= 2321, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1909,1910,
igr2= 724, 725, 726,
&end
#
# 73 CYS HA 8 VAL MGY 6.00 (# 2323:20 Preassigned 4.89, 7.13 A)
&rst
ixpk= 2323, nxpk= 20, iat=1106, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 129, 130, 131, 133, 134, 135,
&end
#
# 50 ILE HA 60 LEU MDY 6.00 (# 2324:20 Preassigned 2.11, 4.40 A)
&rst
ixpk= 2324, nxpk= 20, iat= 744, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 896, 897, 898, 900, 901, 902,
&end
#
# 60 LEU HN 60 LEU MDY 7.00 (# 2325:20 Preassigned 2.08, 4.68 A)
&rst
ixpk= 2325, nxpk= 20, iat= 887, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr2= 896, 897, 898, 900, 901, 902,
&end
#
# 21 ARG HN 60 LEU MDY 6.00 (# 2326:20 Preassigned 4.18, 6.69 A)
&rst
ixpk= 2326, nxpk= 20, iat= 305, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 896, 897, 898, 900, 901, 902,
&end
#
# 18 THR HN 60 LEU MDY 5.50 (# 2327:20 Preassigned 2.92, 4.78 A)
&rst
ixpk= 2327, nxpk= 20, iat= 266, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 896, 897, 898, 900, 901, 902,
&end
#
# 60 LEU HA 60 LEU MDY 4.00 (# 2330:20 Preassigned 2.22, 3.81 A)
&rst
ixpk= 2330, nxpk= 20, iat= 889, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr2= 896, 897, 898, 900, 901, 902,
&end
#
# 45 ALA HA 60 LEU MDY 6.00 (# 2331:20 Preassigned 3.63, 6.09 A)
&rst
ixpk= 2331, nxpk= 20, iat= 684, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 896, 897, 898, 900, 901, 902,
&end
#
# 18 THR HA 60 LEU MDY 4.00 (# 2332:20 Preassigned 2.34, 4.49 A)
&rst
ixpk= 2332, nxpk= 20, iat= 268, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr2= 896, 897, 898, 900, 901, 902,
&end
#
# 21 ARG HD- 60 LEU MDY 6.00 (# 2333:20 Preassigned 2.20, 5.67 A)
&rst
ixpk= 2333, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 315, 316,
igr2= 896, 897, 898, 900, 901, 902,
&end
#
# 0 AMB 20-2:2334 60 LEU MDY 4.00 (# 2334:20 Single Ambig )
&rst
ixpk= 2334, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.79, r4= 7.54,
igr1= 312, 313, 861, 862,
igr2= 896, 897, 898, 900, 901, 902,
&end
#
# 21 ARG HG- 60 LEU MDY 4.00 (# 2335:20 Preassigned 2.22, 5.96 A)
&rst
ixpk= 2335, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1= 312, 313,
igr2= 896, 897, 898, 900, 901, 902,
&end
#
# 53 ALA MB 60 LEU MDY 5.50 (# 2336:20 Preassigned 2.28, 4.14 A)
&rst
ixpk= 2336, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 792, 793, 794,
igr2= 896, 897, 898, 900, 901, 902,
&end
#
# 0 AMB 20-2:2337 0 AMB 20-1:2337 4.00 (# 2337:20 Double Ambig )
&rst
ixpk= 2337, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.27, r4= 8.02,
igr1= 894,1215,1216,
igr2= 896, 897, 898, 900, 901, 902, 129, 130, 131, 133,
134, 135,
&end
#
# 0 AMB 20-2:2338 0 AMB 20-1:2338 5.50 (# 2338:20 Double Ambig )
&rst
ixpk= 2338, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1=1017,1018, 256, 257,
igr2= 129, 130, 131, 133, 134, 135, 896, 897, 898, 900,
901, 902,
&end
#
# 58 LEU MDX 60 LEU MDY 4.00 (# 2339:20 Preassigned 2.16, 6.91 A)
&rst
ixpk= 2339, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.27, r4= 8.02,
igr1= 866, 867, 868, 870, 871, 872,
igr2= 896, 897, 898, 900, 901, 902,
&end
#
# 61 GLU HN 60 LEU MDY 5.50 (# 2340:20 Unique 2.33, 5.75 A)
&rst
ixpk= 2340, nxpk= 20, iat= 906, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 896, 897, 898, 900, 901, 902,
&end
#
# 18 THR HB 60 LEU MDY 6.00 (# 2341:20 Preassigned 4.29, 6.33 A)
&rst
ixpk= 2341, nxpk= 20, iat= 270, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 896, 897, 898, 900, 901, 902,
&end
#
# 0 AMB 20-2:2342 60 LEU MDY 7.00 (# 2342:20 Single Ambig )
&rst
ixpk= 2342, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 908, 800,
igr2= 896, 897, 898, 900, 901, 902,
&end
#
# 21 ARG HD+ 60 LEU MDY 7.00 (# 2345:20 Preassigned 2.20, 5.67 A)
&rst
ixpk= 2345, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 315, 316,
igr2= 896, 897, 898, 900, 901, 902,
&end
#
# 0 AMB 20-2:2346 80 LEU MDY 4.00 (# 2346:20 Single Ambig )
&rst
ixpk= 2346, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1=1224,1597,
igr2=1233,1234,1235,1237,1238,1239,
&end
#
# 104 PHE HZ 80 LEU MDY 5.50 (# 2347:20 Preassigned 2.55, 5.26 A)
&rst
ixpk= 2347, nxpk= 20, iat=1645, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1233,1234,1235,1237,1238,1239,
&end
#
# 104 PHE HA 80 LEU MDY 5.50 (# 2351:20 Preassigned 3.00, 5.57 A)
&rst
ixpk= 2351, nxpk= 20, iat=1635, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1233,1234,1235,1237,1238,1239,
&end
#
# 102 MET HG- 80 LEU MDY 5.50 (# 2352:20 Preassigned 2.46, 6.05 A)
&rst
ixpk= 2352, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1604,1605,
igr2=1233,1234,1235,1237,1238,1239,
&end
#
# 80 LEU HB+ 80 LEU MDX 5.50 (# 2354:20 Preassigned 2.36, 3.42 A)
&rst
ixpk= 2354, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1228,1229,
igr2=1233,1234,1235,1237,1238,1239,
&end
#
# 104 PHE HA 80 LEU MDX 5.50 (# 2355:20 Preassigned 3.00, 5.57 A)
&rst
ixpk= 2355, nxpk= 20, iat=1635, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1233,1234,1235,1237,1238,1239,
&end
#
# 78 LEU MDX 80 LEU MDX 5.50 (# 2357:20 Preassigned 2.24, 5.18 A)
&rst
ixpk= 2357, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=1195,1196,1197,1199,1200,1201,
igr2=1233,1234,1235,1237,1238,1239,
&end
#
# 26 TYR HD 22 LEU MDX 5.50 (# 2358:20 Preassigned 3.99, 7.21 A)
&rst
ixpk= 2358, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 416, 425,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 0 AMB 20-2:2363 48 THR MG2 5.50 (# 2363:20 Single Ambig )
&rst
ixpk= 2363, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 765, 766, 734,
igr2= 724, 725, 726,
&end
#
# 124 PHE HB- 48 THR MG2 5.50 (# 2364:20 Preassigned 2.51, 4.28 A)
&rst
ixpk= 2364, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1962,1963,
igr2= 724, 725, 726,
&end
#
# 48 THR HB 48 THR MG2 5.50 (# 2365:20 Preassigned 2.46, 2.67 A)
&rst
ixpk= 2365, nxpk= 20, iat= 722, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 724, 725, 726,
&end
#
# 48 THR HN 48 THR MG2 5.50 (# 2366:20 Preassigned 4.25, 4.52 A)
&rst
ixpk= 2366, nxpk= 20, iat= 718, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 724, 725, 726,
&end
#
# 0 AMB 20-2:2367 48 THR MG2 4.00 (# 2367:20 Single Ambig )
&rst
ixpk= 2367, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1=1966,1974,1968,1972,
igr2= 724, 725, 726,
&end
#
# 121 ARG HA 48 THR MG2 4.00 (# 2368:20 Preassigned 2.35, 3.16 A)
&rst
ixpk= 2368, nxpk= 20, iat=1907, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2= 724, 725, 726,
&end
#
# 121 ARG HG+ 48 THR MG2 4.00 (# 2369:20 Preassigned 2.34, 3.83 A)
&rst
ixpk= 2369, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1=1912,1913,
igr2= 724, 725, 726,
&end
#
# 52 VAL MGY 48 THR MG2 4.00 (# 2370:20 Preassigned 2.80, 6.10 A)
&rst
ixpk= 2370, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.48, r4= 7.23,
igr1= 778, 779, 780, 782, 783, 784,
igr2= 724, 725, 726,
&end
#
# 17 PRO HB+ 60 LEU MDY 4.00 (# 2371:20 Unique 2.14, 3.68 A)
&rst
ixpk= 2371, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1= 259, 260,
igr2= 896, 897, 898, 900, 901, 902,
&end
#
# 138 TRP HE1 80 LEU MDX 5.50 (# 2372:20 Preassigned 2.73, 4.90 A)
&rst
ixpk= 2372, nxpk= 20, iat=2198, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1233,1234,1235,1237,1238,1239,
&end
#
# 80 LEU HN 80 LEU MDX 5.50 (# 2373:20 Preassigned 2.25, 4.18 A)
&rst
ixpk= 2373, nxpk= 20, iat=1224, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1233,1234,1235,1237,1238,1239,
&end
#
# 104 PHE HE 80 LEU MDX 5.50 (# 2374:20 Preassigned 2.48, 5.75 A)
&rst
ixpk= 2374, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1643,1647,
igr2=1233,1234,1235,1237,1238,1239,
&end
#
# 104 PHE HD 80 LEU MDX 4.00 (# 2375:20 Preassigned 3.23, 6.34 A)
&rst
ixpk= 2375, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1=1641,1649,
igr2=1233,1234,1235,1237,1238,1239,
&end
#
# 80 LEU HA 80 LEU MDX 5.50 (# 2376:20 Preassigned 2.20, 3.76 A)
&rst
ixpk= 2376, nxpk= 20, iat=1226, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1233,1234,1235,1237,1238,1239,
&end
#
# 0 AMB 20-2:2377 80 LEU MDX 5.50 (# 2377:20 Single Ambig )
&rst
ixpk= 2377, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2203,2207,
igr2=1233,1234,1235,1237,1238,1239,
&end
#
# 7 VAL MGY 80 LEU MDX 5.50 (# 2378:20 Preassigned 2.68, 6.60 A)
&rst
ixpk= 2378, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 113, 114, 115, 117, 118, 119,
igr2=1233,1234,1235,1237,1238,1239,
&end
#
# 125 ALA HA 52 VAL MGY 5.50 (# 2380:20 Preassigned 2.22, 3.99 A)
&rst
ixpk= 2380, nxpk= 20, iat=1980, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 20 GLU HA 32 VAL MGX 4.00 (# 2381:20 Preassigned 2.12, 3.72 A)
&rst
ixpk= 2381, nxpk= 20, iat= 292, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr2= 522, 523, 524, 526, 527, 528,
&end
#
# 0 AMB 20-2:2382 32 VAL MGX 5.50 (# 2382:20 Single Ambig )
&rst
ixpk= 2382, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.69, r4=11.44,
igr1= 75, 76, 77, 113, 114, 115, 117, 118, 119,
igr2= 522, 523, 524, 526, 527, 528,
&end
#
# 128 TYR HE 58 LEU MDY 6.00 (# 2383:20 Preassigned 2.34, 6.44 A)
&rst
ixpk= 2383, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=2024,2029,
igr2= 866, 867, 868, 870, 871, 872,
&end
#
# 21 ARG HG- 58 LEU MDY 4.00 (# 2384:20 Preassigned 2.48, 5.49 A)
&rst
ixpk= 2384, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1= 312, 313,
igr2= 866, 867, 868, 870, 871, 872,
&end
#
# 58 LEU HN 58 LEU MDY 7.00 (# 2385:20 Preassigned 3.74, 5.32 A)
&rst
ixpk= 2385, nxpk= 20, iat= 857, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr2= 866, 867, 868, 870, 871, 872,
&end
#
# 25 ARG HA 58 LEU MDY 5.50 (# 2386:20 Unique 4.91, 7.25 A)
&rst
ixpk= 2386, nxpk= 20, iat= 386, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 866, 867, 868, 870, 871, 872,
&end
#
# 38 GLY HN 37 LEU MDY 5.50 (# 2387:20 Preassigned 3.80, 5.45 A)
&rst
ixpk= 2387, nxpk= 20, iat= 594, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 584, 585, 586, 588, 589, 590,
&end
#
# 93 MET ME 37 LEU MDY 5.50 (# 2390:20 Preassigned 2.44, 6.45 A)
&rst
ixpk= 2390, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1466,1467,1468,
igr2= 584, 585, 586, 588, 589, 590,
&end
#
# 89 ARG HG- 37 LEU MDY 5.50 (# 2391:20 Preassigned 2.36, 5.53 A)
&rst
ixpk= 2391, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1393,1394,
igr2= 584, 585, 586, 588, 589, 590,
&end
#
# 90 LEU HG 37 LEU MDY 5.50 (# 2392:20 Preassigned 2.29, 5.26 A)
&rst
ixpk= 2392, nxpk= 20, iat=1417, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 584, 585, 586, 588, 589, 590,
&end
#
# 0 AMB 20-2:2393 37 LEU MDY 5.50 (# 2393:20 Single Ambig )
&rst
ixpk= 2393, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 579, 580, 127,
igr2= 584, 585, 586, 588, 589, 590,
&end
#
# 86 HIS HD1 37 LEU MDY 5.50 (# 2394:20 Preassigned 2.32, 4.57 A)
&rst
ixpk= 2394, nxpk= 20, iat=1343, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 584, 585, 586, 588, 589, 590,
&end
#
# 51 SER HN 52 VAL MGY 6.00 (# 2395:20 Preassigned 4.61, 6.21 A)
&rst
ixpk= 2395, nxpk= 20, iat= 761, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 124 PHE HD 52 VAL MGY 5.50 (# 2396:20 Preassigned 2.25, 5.51 A)
&rst
ixpk= 2396, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1966,1974,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 125 ALA HN 52 VAL MGY 5.50 (# 2398:20 Preassigned 2.63, 4.46 A)
&rst
ixpk= 2398, nxpk= 20, iat=1978, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 0 AMB 20-2:2399 52 VAL MGY 7.00 (# 2399:20 Single Ambig )
&rst
ixpk= 2399, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1=2014, 798,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 52 VAL HN 52 VAL MGY 4.00 (# 2400:20 Preassigned 2.15, 3.48 A)
&rst
ixpk= 2400, nxpk= 20, iat= 772, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 53 ALA HN 52 VAL MGY 5.50 (# 2401:20 Preassigned 2.33, 4.36 A)
&rst
ixpk= 2401, nxpk= 20, iat= 788, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 55 GLU HN 52 VAL MGY 6.00 (# 2402:20 Preassigned 5.24, 6.21 A)
&rst
ixpk= 2402, nxpk= 20, iat= 808, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 125 ALA HA 52 VAL MGY 5.50 (# 2404:20 Preassigned 2.22, 3.99 A)
&rst
ixpk= 2404, nxpk= 20, iat=1980, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 49 ALA HA 52 VAL MGY 5.50 (# 2405:20 Preassigned 2.14, 4.60 A)
&rst
ixpk= 2405, nxpk= 20, iat= 734, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 0 AMB 20-2:2406 52 VAL MGY 5.50 (# 2406:20 Single Ambig )
&rst
ixpk= 2406, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1960, 720,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 52 VAL HA 52 VAL MGY 4.00 (# 2407:20 Preassigned 2.36, 3.33 A)
&rst
ixpk= 2407, nxpk= 20, iat= 774, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 124 PHE HB+ 52 VAL MGY 5.50 (# 2408:20 Preassigned 2.21, 3.92 A)
&rst
ixpk= 2408, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1962,1963,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 124 PHE HB- 52 VAL MGY 5.50 (# 2409:20 Preassigned 2.21, 3.92 A)
&rst
ixpk= 2409, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1962,1963,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 121 ARG HB+ 52 VAL MGY 4.00 (# 2410:20 Unique 2.51, 5.77 A)
&rst
ixpk= 2410, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1=1909,1910,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 0 AMB 20-2:2411 52 VAL MGY 4.00 (# 2411:20 Single Ambig )
&rst
ixpk= 2411, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.27, r4= 8.02,
igr1=1982,1983,1984, 792, 793, 794,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 48 THR MG2 52 VAL MGY 4.00 (# 2412:20 Preassigned 2.80, 6.10 A)
&rst
ixpk= 2412, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.48, r4= 7.23,
igr1= 724, 725, 726,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 20 GLU HN 32 VAL MGX 6.00 (# 2415:20 Preassigned 4.47, 6.35 A)
&rst
ixpk= 2415, nxpk= 20, iat= 290, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 522, 523, 524, 526, 527, 528,
&end
#
# 23 LEU HN 32 VAL MGX 5.50 (# 2416:20 Preassigned 3.85, 5.48 A)
&rst
ixpk= 2416, nxpk= 20, iat= 348, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 522, 523, 524, 526, 527, 528,
&end
#
# 0 AMB 20-2:2417 0 AMB 20-1:2417 5.50 (# 2417:20 Double Ambig )
&rst
ixpk= 2417, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 367,2249,
igr2= 522, 523, 524, 526, 527, 528,2258,2259,2260,2262,
2263,2264,
&end
#
# 32 VAL HA 32 VAL MGX 5.50 (# 2418:20 Preassigned 2.26, 3.26 A)
&rst
ixpk= 2418, nxpk= 20, iat= 518, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 522, 523, 524, 526, 527, 528,
&end
#
# 7 VAL MGY 32 VAL MGX 4.00 (# 2420:20 Preassigned 2.54, 6.86 A)
&rst
ixpk= 2420, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.27, r4= 8.02,
igr1= 113, 114, 115, 117, 118, 119,
igr2= 522, 523, 524, 526, 527, 528,
&end
#
# 33 GLU HN 32 VAL MGX 5.50 (# 2421:20 Preassigned 2.14, 4.15 A)
&rst
ixpk= 2421, nxpk= 20, iat= 532, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 522, 523, 524, 526, 527, 528,
&end
#
# 0 AMB 20-2:2422 32 VAL MGX 5.50 (# 2422:20 Single Ambig )
&rst
ixpk= 2422, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 379, 380, 379, 380,
igr2= 522, 523, 524, 526, 527, 528,
&end
#
# 0 AMB 20-2:2423 58 LEU MDY 5.50 (# 2423:20 Single Ambig )
&rst
ixpk= 2423, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 305, 384,
igr2= 866, 867, 868, 870, 871, 872,
&end
#
# 59 SER HN 58 LEU MDY 5.50 (# 2424:20 Preassigned 2.57, 5.29 A)
&rst
ixpk= 2424, nxpk= 20, iat= 876, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 866, 867, 868, 870, 871, 872,
&end
#
# 22 LEU HA 58 LEU MDY 5.50 (# 2426:20 Unique 2.21, 4.69 A)
&rst
ixpk= 2426, nxpk= 20, iat= 331, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 866, 867, 868, 870, 871, 872,
&end
#
# 25 ARG HD- 58 LEU MDY 5.50 (# 2427:20 Preassigned 2.36, 5.51 A)
&rst
ixpk= 2427, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 394, 395,
igr2= 866, 867, 868, 870, 871, 872,
&end
#
# 0 AMB 20-2:2428 58 LEU MDY 4.00 (# 2428:20 Single Ambig )
&rst
ixpk= 2428, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.79, r4= 7.54,
igr1= 336, 792, 793, 794,
igr2= 866, 867, 868, 870, 871, 872,
&end
#
# 58 LEU HB- 58 LEU MDY 4.00 (# 2429:20 Unique 2.35, 3.38 A)
&rst
ixpk= 2429, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1= 861, 862,
igr2= 866, 867, 868, 870, 871, 872,
&end
#
# 25 ARG HD+ 58 LEU MDY 5.50 (# 2431:20 Preassigned 2.36, 5.51 A)
&rst
ixpk= 2431, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 394, 395,
igr2= 866, 867, 868, 870, 871, 872,
&end
#
# 21 ARG HB- 58 LEU MDY 5.50 (# 2432:20 Preassigned 2.12, 3.64 A)
&rst
ixpk= 2432, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 309, 310,
igr2= 866, 867, 868, 870, 871, 872,
&end
#
# 90 LEU HN 37 LEU MDY 5.50 (# 2433:20 Preassigned 2.34, 4.82 A)
&rst
ixpk= 2433, nxpk= 20, iat=1410, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 584, 585, 586, 588, 589, 590,
&end
#
# 37 LEU HN 37 LEU MDY 5.50 (# 2434:20 Preassigned 2.41, 4.91 A)
&rst
ixpk= 2434, nxpk= 20, iat= 575, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 584, 585, 586, 588, 589, 590,
&end
#
# 89 ARG HN 37 LEU MDY 6.00 (# 2435:20 Preassigned 3.94, 5.78 A)
&rst
ixpk= 2435, nxpk= 20, iat=1386, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 584, 585, 586, 588, 589, 590,
&end
#
# 37 LEU HA 37 LEU MDY 4.00 (# 2436:20 Preassigned 2.20, 3.86 A)
&rst
ixpk= 2436, nxpk= 20, iat= 577, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr2= 584, 585, 586, 588, 589, 590,
&end
#
# 90 LEU HB+ 37 LEU MDY 5.50 (# 2438:20 Preassigned 2.37, 5.78 A)
&rst
ixpk= 2438, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1414,1415,
igr2= 584, 585, 586, 588, 589, 590,
&end
#
# 2 PHE HN 142 LEU MDY 5.50 (# 2441:20 Preassigned 4.11, 6.25 A)
&rst
ixpk= 2441, nxpk= 20, iat= 21, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=2258,2259,2260,2262,2263,2264,
&end
#
# 142 LEU HN 142 LEU MDY 5.50 (# 2442:20 Preassigned 3.61, 4.48 A)
&rst
ixpk= 2442, nxpk= 20, iat=2249, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=2258,2259,2260,2262,2263,2264,
&end
#
# 2 PHE HB- 142 LEU MDY 5.50 (# 2443:20 Preassigned 2.74, 5.74 A)
&rst
ixpk= 2443, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 25, 26,
igr2=2258,2259,2260,2262,2263,2264,
&end
#
# 2 PHE HB+ 142 LEU MDY 5.50 (# 2444:20 Preassigned 2.74, 5.74 A)
&rst
ixpk= 2444, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 25, 26,
igr2=2258,2259,2260,2262,2263,2264,
&end
#
# 141 ALA HN 142 LEU MDY 5.50 (# 2445:20 Preassigned 5.55, 6.81 A)
&rst
ixpk= 2445, nxpk= 20, iat=2239, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=2258,2259,2260,2262,2263,2264,
&end
#
# 140 GLN HN 142 LEU MDY 5.50 (# 2446:20 Preassigned 5.55, 7.60 A)
&rst
ixpk= 2446, nxpk= 20, iat=2222, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=2258,2259,2260,2262,2263,2264,
&end
#
# 2 PHE HD 142 LEU MDY 5.50 (# 2447:20 Preassigned 2.34, 5.78 A)
&rst
ixpk= 2447, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 29, 37,
igr2=2258,2259,2260,2262,2263,2264,
&end
#
# 142 LEU HA 142 LEU MDY 2.80 (# 2448:20 Preassigned 2.16, 3.85 A)
&rst
ixpk= 2448, nxpk= 20, iat=2251, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=2258,2259,2260,2262,2263,2264,
&end
#
# 142 LEU HG 142 LEU MDY 5.50 (# 2449:20 Preassigned 2.41, 2.66 A)
&rst
ixpk= 2449, nxpk= 20, iat=2256, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=2258,2259,2260,2262,2263,2264,
&end
#
# 142 LEU HB+ 142 LEU MDY 4.00 (# 2450:20 Preassigned 2.39, 3.32 A)
&rst
ixpk= 2450, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1=2253,2254,
igr2=2258,2259,2260,2262,2263,2264,
&end
#
# 78 LEU MDX 142 LEU MDY 5.50 (# 2451:20 Preassigned 2.43, 6.03 A)
&rst
ixpk= 2451, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=1195,1196,1197,1199,1200,1201,
igr2=2258,2259,2260,2262,2263,2264,
&end
#
# 130 LEU HN 130 LEU MDY 5.50 (# 2452:20 Preassigned 4.13, 5.09 A)
&rst
ixpk= 2452, nxpk= 20, iat=2049, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=2058,2059,2060,2062,2063,2064,
&end
#
# 130 LEU HA 130 LEU MDY 2.80 (# 2453:20 Preassigned 2.22, 3.80 A)
&rst
ixpk= 2453, nxpk= 20, iat=2051, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=2058,2059,2060,2062,2063,2064,
&end
#
# 2 PHE HN 30 LEU MDY 5.50 (# 2454:20 Preassigned 3.40, 6.01 A)
&rst
ixpk= 2454, nxpk= 20, iat= 21, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 484, 485, 486, 488, 489, 490,
&end
#
# 30 LEU HA 30 LEU MDY 4.00 (# 2455:20 Preassigned 2.19, 3.75 A)
&rst
ixpk= 2455, nxpk= 20, iat= 477, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr2= 484, 485, 486, 488, 489, 490,
&end
#
# 29 GLU HG- 30 LEU MDY 5.50 (# 2456:20 Preassigned 2.20, 6.78 A)
&rst
ixpk= 2456, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 467, 468,
igr2= 484, 485, 486, 488, 489, 490,
&end
#
# 30 LEU HB- 30 LEU MDY 4.00 (# 2458:20 Preassigned 2.35, 3.37 A)
&rst
ixpk= 2458, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1= 479, 480,
igr2= 484, 485, 486, 488, 489, 490,
&end
#
# 104 PHE HE 7 VAL MGX 5.50 (# 2460:20 Preassigned 2.15, 4.90 A)
&rst
ixpk= 2460, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1643,1647,
igr2= 113, 114, 115, 117, 118, 119,
&end
#
# 104 PHE HD 7 VAL MGX 5.50 (# 2461:20 Preassigned 2.90, 6.44 A)
&rst
ixpk= 2461, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1641,1649,
igr2= 113, 114, 115, 117, 118, 119,
&end
#
# 104 PHE HB- 7 VAL MGX 5.50 (# 2463:20 Unique 4.76, 7.82 A)
&rst
ixpk= 2463, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1637,1638,
igr2= 113, 114, 115, 117, 118, 119,
&end
#
# 7 VAL HB 7 VAL MGX 4.00 (# 2464:20 Preassigned 2.36, 2.67 A)
&rst
ixpk= 2464, nxpk= 20, iat= 111, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr2= 113, 114, 115, 117, 118, 119,
&end
#
# 82 MET ME 7 VAL MGX 4.00 (# 2465:20 Preassigned 2.28, 4.97 A)
&rst
ixpk= 2465, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.48, r4= 7.23,
igr1=1268,1269,1270,
igr2= 113, 114, 115, 117, 118, 119,
&end
#
# 80 LEU MDX 7 VAL MGX 6.00 (# 2466:20 Preassigned 2.68, 6.60 A)
&rst
ixpk= 2466, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.90, r4=11.65,
igr1=1233,1234,1235,1237,1238,1239,
igr2= 113, 114, 115, 117, 118, 119,
&end
#
# 7 VAL HN 7 VAL MGX 4.00 (# 2467:20 Preassigned 2.46, 4.21 A)
&rst
ixpk= 2467, nxpk= 20, iat= 107, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr2= 113, 114, 115, 117, 118, 119,
&end
#
# 20 GLU HN 7 VAL MGX 6.00 (# 2468:20 Preassigned 2.45, 4.69 A)
&rst
ixpk= 2468, nxpk= 20, iat= 290, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 113, 114, 115, 117, 118, 119,
&end
#
# 19 ALA HN 7 VAL MGX 5.50 (# 2469:20 Preassigned 3.95, 5.72 A)
&rst
ixpk= 2469, nxpk= 20, iat= 280, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 113, 114, 115, 117, 118, 119,
&end
#
# 0 AMB 20-2:2470 7 VAL MGX 5.50 (# 2470:20 Single Ambig )
&rst
ixpk= 2470, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1245,1226,
igr2= 113, 114, 115, 117, 118, 119,
&end
#
# 7 VAL HA 7 VAL MGX 4.00 (# 2471:20 Preassigned 2.33, 3.16 A)
&rst
ixpk= 2471, nxpk= 20, iat= 109, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr2= 113, 114, 115, 117, 118, 119,
&end
#
# 16 SER HA 7 VAL MGX 5.50 (# 2472:20 Preassigned 2.28, 3.91 A)
&rst
ixpk= 2472, nxpk= 20, iat= 243, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 113, 114, 115, 117, 118, 119,
&end
#
# 16 SER HB- 7 VAL MGX 4.00 (# 2473:20 Preassigned 2.14, 5.06 A)
&rst
ixpk= 2473, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1= 245, 246,
igr2= 113, 114, 115, 117, 118, 119,
&end
#
# 20 GLU HB- 7 VAL MGX 5.50 (# 2474:20 Unique 2.48, 5.33 A)
&rst
ixpk= 2474, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 294, 295,
igr2= 113, 114, 115, 117, 118, 119,
&end
#
# 41 VAL HN 41 VAL MGY 4.00 (# 2476:20 Preassigned 1.86, 3.68 A)
&rst
ixpk= 2476, nxpk= 20, iat= 630, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr2= 636, 637, 638, 640, 641, 642,
&end
#
# 67 GLN HN 41 VAL MGY 4.00 (# 2477:20 Preassigned 2.40, 4.20 A)
&rst
ixpk= 2477, nxpk= 20, iat= 990, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr2= 636, 637, 638, 640, 641, 642,
&end
#
# 42 GLY HN 41 VAL MGY 5.50 (# 2478:20 Preassigned 2.83, 4.42 A)
&rst
ixpk= 2478, nxpk= 20, iat= 646, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 636, 637, 638, 640, 641, 642,
&end
#
# 40 LEU HN 41 VAL MGY 5.50 (# 2479:20 Preassigned 3.86, 6.59 A)
&rst
ixpk= 2479, nxpk= 20, iat= 611, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 636, 637, 638, 640, 641, 642,
&end
#
# 66 ARG HA 41 VAL MGY 5.50 (# 2480:20 Preassigned 2.21, 3.88 A)
&rst
ixpk= 2480, nxpk= 20, iat= 968, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 636, 637, 638, 640, 641, 642,
&end
#
# 40 LEU HA 41 VAL MGY 5.50 (# 2481:20 Preassigned 3.86, 5.96 A)
&rst
ixpk= 2481, nxpk= 20, iat= 613, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 636, 637, 638, 640, 641, 642,
&end
#
# 41 VAL HA 41 VAL MGY 4.00 (# 2483:20 Preassigned 2.48, 3.29 A)
&rst
ixpk= 2483, nxpk= 20, iat= 632, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr2= 636, 637, 638, 640, 641, 642,
&end
#
# 67 GLN HG- 41 VAL MGY 5.50 (# 2484:20 Preassigned 2.63, 6.73 A)
&rst
ixpk= 2484, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 997, 998,
igr2= 636, 637, 638, 640, 641, 642,
&end
#
# 67 GLN HG+ 41 VAL MGY 6.00 (# 2485:20 Preassigned 2.63, 6.73 A)
&rst
ixpk= 2485, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 997, 998,
igr2= 636, 637, 638, 640, 641, 642,
&end
#
# 41 VAL HB 41 VAL MGY 2.80 (# 2486:20 Preassigned 2.40, 2.66 A)
&rst
ixpk= 2486, nxpk= 20, iat= 634, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 636, 637, 638, 640, 641, 642,
&end
#
# 66 ARG HB+ 41 VAL MGY 5.50 (# 2487:20 Preassigned 3.45, 5.79 A)
&rst
ixpk= 2487, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 970, 971,
igr2= 636, 637, 638, 640, 641, 642,
&end
#
# 65 ALA MB 41 VAL MGY 5.50 (# 2488:20 Preassigned 3.65, 6.09 A)
&rst
ixpk= 2488, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 960, 961, 962,
igr2= 636, 637, 638, 640, 641, 642,
&end
#
# 31 LYS HN 30 LEU MDY 5.50 (# 2501:20 Preassigned 2.19, 4.84 A)
&rst
ixpk= 2501, nxpk= 20, iat= 494, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 484, 485, 486, 488, 489, 490,
&end
#
# 3 ASN HD2- 30 LEU MDY 5.50 (# 2502:20 Preassigned 2.63, 7.28 A)
&rst
ixpk= 2502, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 50, 51,
igr2= 484, 485, 486, 488, 489, 490,
&end
#
# 29 GLU HG+ 30 LEU MDY 5.50 (# 2503:20 Preassigned 2.20, 6.78 A)
&rst
ixpk= 2503, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 467, 468,
igr2= 484, 485, 486, 488, 489, 490,
&end
#
# 0 AMB 20-2:2504 30 LEU MDY 2.80 (# 2504:20 Single Ambig )
&rst
ixpk= 2504, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 79, 80, 479, 480,
igr2= 484, 485, 486, 488, 489, 490,
&end
#
# 30 LEU HN 30 LEU MDY 5.50 (# 2505:20 Preassigned 3.09, 4.98 A)
&rst
ixpk= 2505, nxpk= 20, iat= 475, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 484, 485, 486, 488, 489, 490,
&end
#
# 3 ASN HA 30 LEU MDY 4.00 (# 2506:20 Preassigned 2.21, 5.10 A)
&rst
ixpk= 2506, nxpk= 20, iat= 43, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr2= 484, 485, 486, 488, 489, 490,
&end
#
# 27 HIS HB+ 30 LEU MDY 5.50 (# 2507:20 Preassigned 2.34, 4.98 A)
&rst
ixpk= 2507, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 433, 434,
igr2= 484, 485, 486, 488, 489, 490,
&end
#
# 27 HIS HB- 30 LEU MDY 5.50 (# 2508:20 Preassigned 2.34, 4.98 A)
&rst
ixpk= 2508, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 433, 434,
igr2= 484, 485, 486, 488, 489, 490,
&end
#
# 81 THR HN 103 LEU MDY 5.50 (# 2509:20 Preassigned 3.93, 6.49 A)
&rst
ixpk= 2509, nxpk= 20, iat=1243, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1623,1624,1625,1627,1628,1629,
&end
#
# 36 GLY HN 35 ALA MB 4.00 (# 2512:20 Preassigned 2.15, 3.17 A)
&rst
ixpk= 2512, nxpk= 20, iat= 568, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2= 562, 563, 564,
&end
#
# 35 ALA HN 35 ALA MB 5.50 (# 2513:20 Preassigned 2.97, 3.65 A)
&rst
ixpk= 2513, nxpk= 20, iat= 558, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 562, 563, 564,
&end
#
# 66 ARG HE 35 ALA MB 5.50 (# 2514:20 Preassigned 2.34, 4.61 A)
&rst
ixpk= 2514, nxpk= 20, iat= 979, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 562, 563, 564,
&end
#
# 128 TYR HD 18 THR MG2 5.50 (# 2515:20 Preassigned 2.22, 4.39 A)
&rst
ixpk= 2515, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2022,2031,
igr2= 272, 273, 274,
&end
#
# 0 AMB 20-2:2516 0 AMB 20-1:2516 5.50 (# 2516:20 Double Ambig )
&rst
ixpk= 2516, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1009, 790,
igr2= 562, 563, 564, 272, 273, 274,
&end
#
# 0 AMB 20-2:2517 0 AMB 20-1:2517 2.80 (# 2517:20 Double Ambig )
&rst
ixpk= 2517, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.44, r4= 6.19,
igr1=2077,2078,2079,2081,2082,2083,1020,1021,1022,
igr2= 272, 273, 274, 562, 563, 564,
&end
#
# 8 VAL MGY 35 ALA MB 5.50 (# 2518:20 Preassigned 2.23, 4.83 A)
&rst
ixpk= 2518, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 129, 130, 131, 133, 134, 135,
igr2= 562, 563, 564,
&end
#
# 6 LEU MDX 35 ALA MB 5.50 (# 2519:20 Preassigned 2.36, 4.66 A)
&rst
ixpk= 2519, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 97, 98, 99, 101, 102, 103,
igr2= 562, 563, 564,
&end
#
# 6 LEU MDY 35 ALA MB 4.00 (# 2520:20 Preassigned 2.36, 4.66 A)
&rst
ixpk= 2520, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.48, r4= 7.23,
igr1= 97, 98, 99, 101, 102, 103,
igr2= 562, 563, 564,
&end
#
# 35 ALA HA 35 ALA MB 4.00 (# 2521:20 Preassigned 2.44, 2.72 A)
&rst
ixpk= 2521, nxpk= 20, iat= 560, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2= 562, 563, 564,
&end
#
# 104 PHE HN 103 LEU MDY 5.50 (# 2522:20 Preassigned 2.25, 4.61 A)
&rst
ixpk= 2522, nxpk= 20, iat=1633, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1623,1624,1625,1627,1628,1629,
&end
#
# 84 LYS HN 103 LEU MDY 5.50 (# 2523:20 Preassigned 2.94, 4.60 A)
&rst
ixpk= 2523, nxpk= 20, iat=1289, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1623,1624,1625,1627,1628,1629,
&end
#
# 112 GLU HG+ 103 LEU MDY 6.00 (# 2525:20 Preassigned 2.86, 6.32 A)
&rst
ixpk= 2525, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1760,1761,
igr2=1623,1624,1625,1627,1628,1629,
&end
#
# 84 LYS HB+ 103 LEU MDY 5.50 (# 2526:20 Preassigned 2.68, 5.46 A)
&rst
ixpk= 2526, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1293,1294,
igr2=1623,1624,1625,1627,1628,1629,
&end
#
# 103 LEU HB- 103 LEU MDY 4.00 (# 2527:20 Preassigned 2.38, 3.33 A)
&rst
ixpk= 2527, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1=1618,1619,
igr2=1623,1624,1625,1627,1628,1629,
&end
#
# 87 ILE QD1 103 LEU MDY 4.00 (# 2528:20 Preassigned 2.85, 5.47 A)
&rst
ixpk= 2528, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.48, r4= 7.23,
igr1=1365,1366,1367,
igr2=1623,1624,1625,1627,1628,1629,
&end
#
# 103 LEU HN 103 LEU MDY 5.50 (# 2530:20 Preassigned 2.47, 5.15 A)
&rst
ixpk= 2530, nxpk= 20, iat=1614, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1623,1624,1625,1627,1628,1629,
&end
#
# 84 LYS HA 103 LEU MDY 4.00 (# 2531:20 Preassigned 2.55, 4.50 A)
&rst
ixpk= 2531, nxpk= 20, iat=1291, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr2=1623,1624,1625,1627,1628,1629,
&end
#
# 2 PHE HB- 78 LEU MDY 5.50 (# 2532:20 Preassigned 2.60, 5.18 A)
&rst
ixpk= 2532, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 25, 26,
igr2=1195,1196,1197,1199,1200,1201,
&end
#
# 128 TYR HD 129 THR MG2 5.50 (# 2533:20 Preassigned 4.33, 7.39 A)
&rst
ixpk= 2533, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2022,2031,
igr2=2041,2042,2043,
&end
#
# 128 TYR HD 18 THR MG2 5.50 (# 2534:20 Preassigned 2.22, 4.39 A)
&rst
ixpk= 2534, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2022,2031,
igr2= 272, 273, 274,
&end
#
# 18 THR HN 18 THR MG2 4.00 (# 2535:20 Preassigned 4.09, 4.38 A)
&rst
ixpk= 2535, nxpk= 20, iat= 266, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2= 272, 273, 274,
&end
#
# 18 THR HB 18 THR MG2 4.00 (# 2537:20 Preassigned 2.37, 2.66 A)
&rst
ixpk= 2537, nxpk= 20, iat= 270, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2= 272, 273, 274,
&end
#
# 0 AMB 20-2:2538 18 THR MG2 5.50 (# 2538:20 Single Ambig )
&rst
ixpk= 2538, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 734,2070,
igr2= 272, 273, 274,
&end
#
# 0 AMB 20-2:2539 18 THR MG2 4.00 (# 2539:20 Single Ambig )
&rst
ixpk= 2539, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1=2016, 268,
igr2= 272, 273, 274,
&end
#
# 0 AMB 20-2:2541 18 THR MG2 4.00 (# 2541:20 Single Ambig )
&rst
ixpk= 2541, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1= 792, 793, 794, 336,
igr2= 272, 273, 274,
&end
#
# 131 LEU MDX 18 THR MG2 2.80 (# 2542:20 Preassigned 2.38, 5.00 A)
&rst
ixpk= 2542, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=2077,2078,2079,2081,2082,2083,
igr2= 272, 273, 274,
&end
#
# 60 LEU MDY 18 THR MG2 4.00 (# 2543:20 Preassigned 2.56, 6.30 A)
&rst
ixpk= 2543, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.48, r4= 7.23,
igr1= 896, 897, 898, 900, 901, 902,
igr2= 272, 273, 274,
&end
#
# 17 PRO HB- 18 THR MG2 6.00 (# 2544:20 Preassigned 5.21, 6.98 A)
&rst
ixpk= 2544, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 259, 260,
igr2= 272, 273, 274,
&end
#
# 22 LEU MDY 18 THR MG2 4.00 (# 2545:20 Preassigned 2.28, 4.84 A)
&rst
ixpk= 2545, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.48, r4= 7.23,
igr1= 338, 339, 340, 342, 343, 344,
igr2= 272, 273, 274,
&end
#
# 19 ALA HN 18 THR MG2 5.50 (# 2546:20 Preassigned 3.55, 4.56 A)
&rst
ixpk= 2546, nxpk= 20, iat= 280, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 272, 273, 274,
&end
#
# 0 AMB 20-2:2548 35 ALA MB 4.00 (# 2548:20 Single Ambig )
&rst
ixpk= 2548, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.27, r4= 8.02,
igr1= 129, 130, 131, 133, 134, 135,1094,1095,1096,1098,
1099,1100,
igr2= 562, 563, 564,
&end
#
# 87 ILE HN 103 LEU MDY 5.50 (# 2549:20 Preassigned 4.05, 6.14 A)
&rst
ixpk= 2549, nxpk= 20, iat=1352, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1623,1624,1625,1627,1628,1629,
&end
#
# 78 LEU HA 78 LEU MDY 2.80 (# 2550:20 Preassigned 2.13, 3.79 A)
&rst
ixpk= 2550, nxpk= 20, iat=1188, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1195,1196,1197,1199,1200,1201,
&end
#
# 103 LEU HA 103 LEU MDY 4.00 (# 2551:20 Preassigned 2.16, 3.96 A)
&rst
ixpk= 2551, nxpk= 20, iat=1616, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr2=1623,1624,1625,1627,1628,1629,
&end
#
# 0 AMB 20-2:2552 78 LEU MDY 5.50 (# 2552:20 Single Ambig )
&rst
ixpk= 2552, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1604,1605,1601,1602,
igr2=1195,1196,1197,1199,1200,1201,
&end
#
# 80 LEU HB+ 78 LEU MDY 5.50 (# 2553:20 Preassigned 4.68, 7.20 A)
&rst
ixpk= 2553, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1228,1229,
igr2=1195,1196,1197,1199,1200,1201,
&end
#
# 101 VAL HA 78 LEU MDY 5.50 (# 2554:20 Preassigned 4.37, 6.70 A)
&rst
ixpk= 2554, nxpk= 20, iat=1583, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1195,1196,1197,1199,1200,1201,
&end
#
# 133 ARG HN 129 THR MG2 5.50 (# 2556:20 Preassigned 4.32, 5.27 A)
&rst
ixpk= 2556, nxpk= 20, iat=2102, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=2041,2042,2043,
&end
#
# 129 THR HN 129 THR MG2 5.50 (# 2557:20 Preassigned 4.39, 4.50 A)
&rst
ixpk= 2557, nxpk= 20, iat=2035, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=2041,2042,2043,
&end
#
# 130 LEU HN 129 THR MG2 5.50 (# 2558:20 Preassigned 3.85, 4.60 A)
&rst
ixpk= 2558, nxpk= 20, iat=2049, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=2041,2042,2043,
&end
#
# 129 THR HB 129 THR MG2 2.80 (# 2560:20 Preassigned 2.46, 2.67 A)
&rst
ixpk= 2560, nxpk= 20, iat=2039, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=2041,2042,2043,
&end
#
# 129 THR HA 129 THR MG2 4.00 (# 2561:20 Preassigned 2.49, 3.11 A)
&rst
ixpk= 2561, nxpk= 20, iat=2037, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2=2041,2042,2043,
&end
#
# 133 ARG HD- 129 THR MG2 5.50 (# 2562:20 Preassigned 3.45, 6.40 A)
&rst
ixpk= 2562, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2112,2113,
igr2=2041,2042,2043,
&end
#
# 132 GLU HB- 129 THR MG2 5.50 (# 2566:20 Preassigned 3.99, 5.67 A)
&rst
ixpk= 2566, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2091,2092,
igr2=2041,2042,2043,
&end
#
# 147 VAL HN 147 VAL MGY 7.00 (# 2570:20 Preassigned 1.84, 3.60 A)
&rst
ixpk= 2570, nxpk= 20, iat=2324, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr2=2330,2331,2332,2334,2335,2336,
&end
#
# 8 VAL HN 8 VAL MGX 5.50 (# 2571:20 Preassigned 2.50, 4.16 A)
&rst
ixpk= 2571, nxpk= 20, iat= 123, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 129, 130, 131, 133, 134, 135,
&end
#
# 16 SER HB- 8 VAL MGX 5.50 (# 2573:20 Unique 5.40, 7.37 A)
&rst
ixpk= 2573, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 245, 246,
igr2= 129, 130, 131, 133, 134, 135,
&end
#
# 102 MET HN 78 LEU MDY 6.00 (# 2574:20 Preassigned 4.35, 6.51 A)
&rst
ixpk= 2574, nxpk= 20, iat=1597, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2=1195,1196,1197,1199,1200,1201,
&end
#
# 78 LEU HB+ 78 LEU MDY 5.50 (# 2575:20 Preassigned 2.39, 3.37 A)
&rst
ixpk= 2575, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1190,1191,
igr2=1195,1196,1197,1199,1200,1201,
&end
#
# 78 LEU HG 78 LEU MDY 4.00 (# 2576:20 Preassigned 2.34, 2.65 A)
&rst
ixpk= 2576, nxpk= 20, iat=1193, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr2=1195,1196,1197,1199,1200,1201,
&end
#
# 80 LEU MDY 78 LEU MDY 4.00 (# 2577:20 Preassigned 2.24, 5.18 A)
&rst
ixpk= 2577, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.27, r4= 8.02,
igr1=1233,1234,1235,1237,1238,1239,
igr2=1195,1196,1197,1199,1200,1201,
&end
#
# 80 LEU MDX 78 LEU MDY 6.00 (# 2578:20 Preassigned 2.24, 5.18 A)
&rst
ixpk= 2578, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.90, r4=11.65,
igr1=1233,1234,1235,1237,1238,1239,
igr2=1195,1196,1197,1199,1200,1201,
&end
#
# 79 ILE HN 78 LEU MDY 5.50 (# 2579:20 Preassigned 2.06, 4.37 A)
&rst
ixpk= 2579, nxpk= 20, iat=1205, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1195,1196,1197,1199,1200,1201,
&end
#
# 78 LEU HN 78 LEU MDY 5.50 (# 2580:20 Preassigned 4.82, 5.58 A)
&rst
ixpk= 2580, nxpk= 20, iat=1186, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1195,1196,1197,1199,1200,1201,
&end
#
# 2 PHE HD 78 LEU MDY 5.50 (# 2581:20 Preassigned 2.78, 5.35 A)
&rst
ixpk= 2581, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 29, 37,
igr2=1195,1196,1197,1199,1200,1201,
&end
#
# 100 LYS HB+ 78 LEU MDY 5.50 (# 2582:20 Preassigned 2.48, 6.24 A)
&rst
ixpk= 2582, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1563,1564,
igr2=1195,1196,1197,1199,1200,1201,
&end
#
# 78 LEU HB- 78 LEU MDY 4.00 (# 2583:20 Preassigned 2.39, 3.37 A)
&rst
ixpk= 2583, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1=1190,1191,
igr2=1195,1196,1197,1199,1200,1201,
&end
#
# 79 ILE HG1- 6 LEU MDY 5.50 (# 2585:20 Preassigned 2.19, 5.92 A)
&rst
ixpk= 2585, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1215,1216,
igr2= 97, 98, 99, 101, 102, 103,
&end
#
# 116 PRO HG- 123 THR MG2 5.50 (# 2587:20 Preassigned 2.36, 6.50 A)
&rst
ixpk= 2587, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1817,1818,
igr2=1950,1951,1952,
&end
#
# 66 ARG HA 41 VAL MGX 6.00 (# 2588:20 Preassigned 2.21, 3.88 A)
&rst
ixpk= 2588, nxpk= 20, iat= 968, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 636, 637, 638, 640, 641, 642,
&end
#
# 43 LYS HN 41 VAL MGX 5.50 (# 2589:20 Preassigned 5.29, 6.16 A)
&rst
ixpk= 2589, nxpk= 20, iat= 653, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 636, 637, 638, 640, 641, 642,
&end
#
# 41 VAL HN 41 VAL MGX 5.50 (# 2590:20 Preassigned 1.86, 3.68 A)
&rst
ixpk= 2590, nxpk= 20, iat= 630, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 636, 637, 638, 640, 641, 642,
&end
#
# 42 GLY HA- 41 VAL MGX 5.50 (# 2591:20 Preassigned 3.53, 5.74 A)
&rst
ixpk= 2591, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 648, 649,
igr2= 636, 637, 638, 640, 641, 642,
&end
#
# 41 VAL HA 41 VAL MGX 4.00 (# 2592:20 Preassigned 2.48, 3.29 A)
&rst
ixpk= 2592, nxpk= 20, iat= 632, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr2= 636, 637, 638, 640, 641, 642,
&end
#
# 41 VAL HB 41 VAL MGX 5.50 (# 2593:20 Preassigned 2.40, 2.66 A)
&rst
ixpk= 2593, nxpk= 20, iat= 634, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 636, 637, 638, 640, 641, 642,
&end
#
# 67 GLN HN 41 VAL MGX 5.50 (# 2594:20 Preassigned 2.40, 4.20 A)
&rst
ixpk= 2594, nxpk= 20, iat= 990, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 636, 637, 638, 640, 641, 642,
&end
#
# 66 ARG HA 41 VAL MGX 5.50 (# 2595:20 Preassigned 2.21, 3.88 A)
&rst
ixpk= 2595, nxpk= 20, iat= 968, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 636, 637, 638, 640, 641, 642,
&end
#
# 50 ILE HN 52 VAL MGX 5.50 (# 2596:20 Preassigned 5.06, 7.21 A)
&rst
ixpk= 2596, nxpk= 20, iat= 742, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 147 VAL HA 147 VAL MGY 5.50 (# 2597:20 Preassigned 2.37, 3.48 A)
&rst
ixpk= 2597, nxpk= 20, iat=2326, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=2330,2331,2332,2334,2335,2336,
&end
#
# 37 LEU HN 8 VAL MGX 5.50 (# 2598:20 Preassigned 2.95, 5.38 A)
&rst
ixpk= 2598, nxpk= 20, iat= 575, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 129, 130, 131, 133, 134, 135,
&end
#
# 37 LEU MDX 8 VAL MGX 4.00 (# 2600:20 Preassigned 2.52, 6.84 A)
&rst
ixpk= 2600, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.27, r4= 8.02,
igr1= 584, 585, 586, 588, 589, 590,
igr2= 129, 130, 131, 133, 134, 135,
&end
#
# 35 ALA HN 6 LEU MDY 5.50 (# 2601:20 Preassigned 3.58, 5.49 A)
&rst
ixpk= 2601, nxpk= 20, iat= 558, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 97, 98, 99, 101, 102, 103,
&end
#
# 76 TYR HD 6 LEU MDY 5.50 (# 2602:20 Preassigned 2.31, 4.68 A)
&rst
ixpk= 2602, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1161,1170,
igr2= 97, 98, 99, 101, 102, 103,
&end
#
# 33 GLU HB- 6 LEU MDY 5.50 (# 2603:20 Preassigned 2.38, 5.12 A)
&rst
ixpk= 2603, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 536, 537,
igr2= 97, 98, 99, 101, 102, 103,
&end
#
# 6 LEU HB- 6 LEU MDY 5.50 (# 2604:20 Preassigned 2.44, 3.32 A)
&rst
ixpk= 2604, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 92, 93,
igr2= 97, 98, 99, 101, 102, 103,
&end
#
# 68 ILE QD1 6 LEU MDY 5.50 (# 2605:20 Preassigned 2.25, 4.68 A)
&rst
ixpk= 2605, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1020,1021,1022,
igr2= 97, 98, 99, 101, 102, 103,
&end
#
# 79 ILE QG2 6 LEU MDY 5.50 (# 2606:20 Preassigned 2.37, 5.73 A)
&rst
ixpk= 2606, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1211,1212,1213,
igr2= 97, 98, 99, 101, 102, 103,
&end
#
# 6 LEU HB+ 6 LEU MDY 5.50 (# 2607:20 Preassigned 2.44, 3.32 A)
&rst
ixpk= 2607, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 92, 93,
igr2= 97, 98, 99, 101, 102, 103,
&end
#
# 7 VAL HN 6 LEU MDY 4.00 (# 2608:20 Preassigned 2.08, 4.18 A)
&rst
ixpk= 2608, nxpk= 20, iat= 107, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr2= 97, 98, 99, 101, 102, 103,
&end
#
# 33 GLU HN 6 LEU MDY 5.50 (# 2609:20 Preassigned 3.49, 5.86 A)
&rst
ixpk= 2609, nxpk= 20, iat= 532, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 97, 98, 99, 101, 102, 103,
&end
#
# 76 TYR HE 6 LEU MDY 5.50 (# 2610:20 Preassigned 2.83, 4.86 A)
&rst
ixpk= 2610, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1163,1168,
igr2= 97, 98, 99, 101, 102, 103,
&end
#
# 34 SER HA 6 LEU MDY 5.50 (# 2611:20 Preassigned 2.26, 4.65 A)
&rst
ixpk= 2611, nxpk= 20, iat= 549, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 97, 98, 99, 101, 102, 103,
&end
#
# 6 LEU HA 6 LEU MDY 4.00 (# 2613:20 Preassigned 2.17, 3.88 A)
&rst
ixpk= 2613, nxpk= 20, iat= 90, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr2= 97, 98, 99, 101, 102, 103,
&end
#
# 33 GLU HB+ 6 LEU MDY 5.50 (# 2614:20 Preassigned 2.38, 5.12 A)
&rst
ixpk= 2614, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 536, 537,
igr2= 97, 98, 99, 101, 102, 103,
&end
#
# 72 LEU HB+ 6 LEU MDY 6.00 (# 2615:20 Preassigned 2.74, 5.40 A)
&rst
ixpk= 2615, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1089,1090,
igr2= 97, 98, 99, 101, 102, 103,
&end
#
# 0 AMB 20-2:2616 6 LEU MDY 4.00 (# 2616:20 Single Ambig )
&rst
ixpk= 2616, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 562, 563, 564,1094,1095,1096,1098,1099,1100,
igr2= 97, 98, 99, 101, 102, 103,
&end
#
# 35 ALA HN 6 LEU MDY 6.00 (# 2618:20 Preassigned 3.58, 5.49 A)
&rst
ixpk= 2618, nxpk= 20, iat= 558, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 97, 98, 99, 101, 102, 103,
&end
#
# 6 LEU HN 6 LEU MDY 5.50 (# 2619:20 Preassigned 4.82, 5.50 A)
&rst
ixpk= 2619, nxpk= 20, iat= 88, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 97, 98, 99, 101, 102, 103,
&end
#
# 123 THR HB 123 THR MG2 4.00 (# 2620:20 Preassigned 2.39, 2.66 A)
&rst
ixpk= 2620, nxpk= 20, iat=1948, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2=1950,1951,1952,
&end
#
# 0 AMB 20-2:2622 123 THR MG2 4.00 (# 2622:20 Single Ambig )
&rst
ixpk= 2622, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1=1876,1877,1876,1877,
igr2=1950,1951,1952,
&end
#
# 119 LYS HN 123 THR MG2 6.00 (# 2623:20 Preassigned 4.53, 6.06 A)
&rst
ixpk= 2623, nxpk= 20, iat=1872, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2=1950,1951,1952,
&end
#
# 0 AMB 20-2:2624 123 THR MG2 5.50 (# 2624:20 Single Ambig )
&rst
ixpk= 2624, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1944,1988,
igr2=1950,1951,1952,
&end
#
# 0 AMB 20-2:2626 123 THR MG2 2.80 (# 2626:20 Single Ambig )
&rst
ixpk= 2626, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1823,1946,
igr2=1950,1951,1952,
&end
#
# 119 LYS HE+ 123 THR MG2 5.50 (# 2627:20 Preassigned 2.43, 4.80 A)
&rst
ixpk= 2627, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1885,1886,
igr2=1950,1951,1952,
&end
#
# 119 LYS HD- 123 THR MG2 4.00 (# 2628:20 Preassigned 2.34, 4.71 A)
&rst
ixpk= 2628, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1=1882,1883,
igr2=1950,1951,1952,
&end
#
# 116 PRO HG- 123 THR MG2 6.00 (# 2629:20 Preassigned 2.36, 6.50 A)
&rst
ixpk= 2629, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1817,1818,
igr2=1950,1951,1952,
&end
#
# 42 GLY HN 41 VAL MGX 5.50 (# 2630:20 Preassigned 2.83, 4.42 A)
&rst
ixpk= 2630, nxpk= 20, iat= 646, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 636, 637, 638, 640, 641, 642,
&end
#
# 116 PRO HA 127 VAL MGX 6.00 (# 2634:20 Preassigned 3.35, 5.26 A)
&rst
ixpk= 2634, nxpk= 20, iat=1823, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2=2004,2005,2006,2008,2009,2010,
&end
#
# 127 VAL HA 127 VAL MGX 4.00 (# 2635:20 Preassigned 2.39, 3.25 A)
&rst
ixpk= 2635, nxpk= 20, iat=2000, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr2=2004,2005,2006,2008,2009,2010,
&end
#
# 0 AMB 20-2:2638 127 VAL MGX 5.50 (# 2638:20 Single Ambig )
&rst
ixpk= 2638, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1960,1788,1789,
igr2=2004,2005,2006,2008,2009,2010,
&end
#
# 124 PHE HD 52 VAL MGX 5.50 (# 2639:20 Preassigned 2.25, 5.51 A)
&rst
ixpk= 2639, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1966,1974,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 37 LEU HN 8 VAL MGX 5.50 (# 2646:20 Preassigned 2.95, 5.38 A)
&rst
ixpk= 2646, nxpk= 20, iat= 575, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 129, 130, 131, 133, 134, 135,
&end
#
# 98 ARG HA 101 VAL MGY 5.50 (# 2649:20 Preassigned 2.39, 4.38 A)
&rst
ixpk= 2649, nxpk= 20, iat=1530, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1587,1588,1589,1591,1592,1593,
&end
#
# 124 PHE HD 123 THR MG2 5.50 (# 2650:20 Preassigned 4.97, 7.21 A)
&rst
ixpk= 2650, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1966,1974,
igr2=1950,1951,1952,
&end
#
# 52 VAL HA 52 VAL MGX 5.50 (# 2653:20 Preassigned 2.36, 3.33 A)
&rst
ixpk= 2653, nxpk= 20, iat= 774, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 125 ALA HN 52 VAL MGX 5.50 (# 2656:20 Preassigned 2.63, 4.46 A)
&rst
ixpk= 2656, nxpk= 20, iat=1978, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 56 HIS HD2 52 VAL MGX 5.50 (# 2658:20 Preassigned 2.45, 5.84 A)
&rst
ixpk= 2658, nxpk= 20, iat= 836, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 51 SER HA 52 VAL MGX 5.50 (# 2660:20 Preassigned 5.21, 6.57 A)
&rst
ixpk= 2660, nxpk= 20, iat= 763, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 51 SER HB- 52 VAL MGX 6.00 (# 2661:20 Preassigned 2.84, 5.35 A)
&rst
ixpk= 2661, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 765, 766,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 128 TYR HB+ 52 VAL MGX 5.50 (# 2662:20 Preassigned 2.38, 4.86 A)
&rst
ixpk= 2662, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2018,2019,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 52 VAL HN 52 VAL MGX 5.50 (# 2664:20 Preassigned 2.15, 3.48 A)
&rst
ixpk= 2664, nxpk= 20, iat= 772, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 53 ALA HN 52 VAL MGX 5.50 (# 2665:20 Preassigned 2.33, 4.36 A)
&rst
ixpk= 2665, nxpk= 20, iat= 788, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 125 ALA HA 52 VAL MGX 4.00 (# 2666:20 Preassigned 2.22, 3.99 A)
&rst
ixpk= 2666, nxpk= 20, iat=1980, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 52 VAL HA 52 VAL MGX 4.00 (# 2667:20 Preassigned 2.36, 3.33 A)
&rst
ixpk= 2667, nxpk= 20, iat= 774, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 128 TYR HB- 52 VAL MGX 5.50 (# 2668:20 Preassigned 2.38, 4.86 A)
&rst
ixpk= 2668, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2018,2019,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 128 TYR HD 52 VAL MGX 5.50 (# 2669:20 Preassigned 2.32, 5.94 A)
&rst
ixpk= 2669, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2022,2031,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 101 VAL HA 101 VAL MGY 4.00 (# 2677:20 Preassigned 2.35, 3.18 A)
&rst
ixpk= 2677, nxpk= 20, iat=1583, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr2=1587,1588,1589,1591,1592,1593,
&end
#
# 79 ILE QG2 101 VAL MGY 4.00 (# 2679:20 Preassigned 2.41, 4.86 A)
&rst
ixpk= 2679, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.48, r4= 7.23,
igr1=1211,1212,1213,
igr2=1587,1588,1589,1591,1592,1593,
&end
#
# 100 LYS HN 101 VAL MGY 5.50 (# 2680:20 Preassigned 3.30, 5.78 A)
&rst
ixpk= 2680, nxpk= 20, iat=1559, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1587,1588,1589,1591,1592,1593,
&end
#
# 20 GLU HA 32 VAL MGY 5.50 (# 2682:20 Preassigned 2.12, 3.72 A)
&rst
ixpk= 2682, nxpk= 20, iat= 292, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 522, 523, 524, 526, 527, 528,
&end
#
# 5 ILE HN 32 VAL MGY 6.00 (# 2683:20 Preassigned 3.69, 5.40 A)
&rst
ixpk= 2683, nxpk= 20, iat= 69, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 522, 523, 524, 526, 527, 528,
&end
#
# 31 LYS HN 32 VAL MGY 5.50 (# 2684:20 Preassigned 4.29, 6.69 A)
&rst
ixpk= 2684, nxpk= 20, iat= 494, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 522, 523, 524, 526, 527, 528,
&end
#
# 24 GLN HN 32 VAL MGY 6.00 (# 2685:20 Preassigned 2.62, 4.38 A)
&rst
ixpk= 2685, nxpk= 20, iat= 367, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 522, 523, 524, 526, 527, 528,
&end
#
# 30 LEU HN 32 VAL MGY 5.50 (# 2686:20 Preassigned 4.18, 7.34 A)
&rst
ixpk= 2686, nxpk= 20, iat= 475, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 522, 523, 524, 526, 527, 528,
&end
#
# 0 AMB 20-2:2687 32 VAL MGY 5.50 (# 2687:20 Single Ambig )
&rst
ixpk= 2687, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 379, 380, 379, 380,
igr2= 522, 523, 524, 526, 527, 528,
&end
#
# 32 VAL HA 32 VAL MGY 4.00 (# 2688:20 Preassigned 2.26, 3.26 A)
&rst
ixpk= 2688, nxpk= 20, iat= 518, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr2= 522, 523, 524, 526, 527, 528,
&end
#
# 30 LEU HA 32 VAL MGY 5.50 (# 2689:20 Preassigned 5.04, 7.72 A)
&rst
ixpk= 2689, nxpk= 20, iat= 477, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 522, 523, 524, 526, 527, 528,
&end
#
# 24 GLN HA 32 VAL MGY 5.50 (# 2690:20 Preassigned 2.47, 4.72 A)
&rst
ixpk= 2690, nxpk= 20, iat= 369, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 522, 523, 524, 526, 527, 528,
&end
#
# 0 AMB 20-2:2691 32 VAL MGY 4.00 (# 2691:20 Single Ambig )
&rst
ixpk= 2691, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.79, r4= 7.54,
igr1= 374, 375, 374, 375,
igr2= 522, 523, 524, 526, 527, 528,
&end
#
# 32 VAL HB 32 VAL MGY 5.50 (# 2692:20 Preassigned 2.38, 2.66 A)
&rst
ixpk= 2692, nxpk= 20, iat= 520, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 522, 523, 524, 526, 527, 528,
&end
#
# 0 AMB 20-2:2693 32 VAL MGY 4.00 (# 2693:20 Single Ambig )
&rst
ixpk= 2693, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.48, r4= 7.23,
igr1= 73, 352, 353,
igr2= 522, 523, 524, 526, 527, 528,
&end
#
# 23 LEU HB- 32 VAL MGY 5.50 (# 2694:20 Preassigned 2.15, 3.62 A)
&rst
ixpk= 2694, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 352, 353,
igr2= 522, 523, 524, 526, 527, 528,
&end
#
# 0 AMB 20-2:2695 32 VAL MGY 4.00 (# 2695:20 Single Ambig )
&rst
ixpk= 2695, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.79, r4= 7.54,
igr1= 79, 80, 479, 480,
igr2= 522, 523, 524, 526, 527, 528,
&end
#
# 0 AMB 20-2:2696 32 VAL MGY 5.50 (# 2696:20 Single Ambig )
&rst
ixpk= 2696, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.69, r4=11.44,
igr1= 75, 76, 77, 113, 114, 115, 117, 118, 119,
igr2= 522, 523, 524, 526, 527, 528,
&end
#
# 33 GLU HN 32 VAL MGY 5.50 (# 2697:20 Preassigned 2.14, 4.15 A)
&rst
ixpk= 2697, nxpk= 20, iat= 532, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 522, 523, 524, 526, 527, 528,
&end
#
# 32 VAL HN 32 VAL MGY 5.50 (# 2698:20 Preassigned 2.58, 4.20 A)
&rst
ixpk= 2698, nxpk= 20, iat= 516, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 522, 523, 524, 526, 527, 528,
&end
#
# 0 AMB 20-2:2701 7 VAL MGY 5.50 (# 2701:20 Single Ambig )
&rst
ixpk= 2701, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 125, 518,
igr2= 113, 114, 115, 117, 118, 119,
&end
#
# 87 ILE HN 81 THR MG2 5.50 (# 2702:20 Preassigned 2.85, 4.27 A)
&rst
ixpk= 2702, nxpk= 20, iat=1352, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1249,1250,1251,
&end
#
# 102 MET HN 101 VAL MGY 5.50 (# 2706:20 Preassigned 2.30, 4.40 A)
&rst
ixpk= 2706, nxpk= 20, iat=1597, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1587,1588,1589,1591,1592,1593,
&end
#
# 101 VAL HN 101 VAL MGY 5.50 (# 2707:20 Preassigned 2.42, 3.99 A)
&rst
ixpk= 2707, nxpk= 20, iat=1581, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1587,1588,1589,1591,1592,1593,
&end
#
# 101 VAL HB 101 VAL MGY 4.00 (# 2708:20 Preassigned 2.39, 2.66 A)
&rst
ixpk= 2708, nxpk= 20, iat=1585, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr2=1587,1588,1589,1591,1592,1593,
&end
#
# 0 AMB 20-2:2709 101 VAL MGY 4.00 (# 2709:20 Single Ambig )
&rst
ixpk= 2709, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1=1209,1417,
igr2=1587,1588,1589,1591,1592,1593,
&end
#
# 5 ILE HG1- 32 VAL MGY 5.50 (# 2710:20 Preassigned 3.05, 5.75 A)
&rst
ixpk= 2710, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 79, 80,
igr2= 522, 523, 524, 526, 527, 528,
&end
#
# 24 GLN HB+ 32 VAL MGY 5.50 (# 2711:20 Preassigned 2.33, 5.27 A)
&rst
ixpk= 2711, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 371, 372,
igr2= 522, 523, 524, 526, 527, 528,
&end
#
# 7 VAL HB 32 VAL MGY 5.50 (# 2712:20 Preassigned 4.20, 6.71 A)
&rst
ixpk= 2712, nxpk= 20, iat= 111, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 522, 523, 524, 526, 527, 528,
&end
#
# 7 VAL HN 7 VAL MGY 4.00 (# 2713:20 Preassigned 2.46, 4.21 A)
&rst
ixpk= 2713, nxpk= 20, iat= 107, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr2= 113, 114, 115, 117, 118, 119,
&end
#
# 7 VAL HA 7 VAL MGY 4.00 (# 2714:20 Preassigned 2.33, 3.16 A)
&rst
ixpk= 2714, nxpk= 20, iat= 109, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr2= 113, 114, 115, 117, 118, 119,
&end
#
# 6 LEU HA 7 VAL MGY 5.50 (# 2715:20 Preassigned 3.64, 5.81 A)
&rst
ixpk= 2715, nxpk= 20, iat= 90, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 113, 114, 115, 117, 118, 119,
&end
#
# 20 GLU HB- 7 VAL MGY 5.50 (# 2716:20 Unique 2.48, 5.33 A)
&rst
ixpk= 2716, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 294, 295,
igr2= 113, 114, 115, 117, 118, 119,
&end
#
# 131 LEU HB- 19 ALA MB 5.50 (# 2717:20 Preassigned 3.05, 5.14 A)
&rst
ixpk= 2717, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2072,2073,
igr2= 284, 285, 286,
&end
#
# 135 ALA MB 19 ALA MB 5.50 (# 2718:20 Preassigned 3.39, 5.65 A)
&rst
ixpk= 2718, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=2141,2142,2143,
igr2= 284, 285, 286,
&end
#
# 7 VAL HB 0 AMB 20-1:2719 4.00 (# 2719:20 Single Ambig )
&rst
ixpk= 2719, nxpk= 20, iat= 111, -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
igr2= 113, 114, 115, 117, 118, 119, 284, 285, 286,
&end
#
# 80 LEU MDY 7 VAL MGY 5.50 (# 2721:20 Preassigned 2.68, 6.60 A)
&rst
ixpk= 2721, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=1233,1234,1235,1237,1238,1239,
igr2= 113, 114, 115, 117, 118, 119,
&end
#
# 80 LEU MDX 7 VAL MGY 5.50 (# 2722:20 Preassigned 2.68, 6.60 A)
&rst
ixpk= 2722, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=1233,1234,1235,1237,1238,1239,
igr2= 113, 114, 115, 117, 118, 119,
&end
#
# 41 VAL HN 39 ALA MB 5.50 (# 2723:20 Preassigned 3.21, 4.00 A)
&rst
ixpk= 2723, nxpk= 20, iat= 630, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 605, 606, 607,
&end
#
# 81 THR HN 81 THR MG2 4.00 (# 2724:20 Preassigned 2.52, 3.56 A)
&rst
ixpk= 2724, nxpk= 20, iat=1243, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2=1249,1250,1251,
&end
#
# 0 AMB 20-2:2725 81 THR MG2 4.00 (# 2725:20 Single Ambig )
&rst
ixpk= 2725, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1=1245,1226,
igr2=1249,1250,1251,
&end
#
# 81 THR HB 81 THR MG2 4.00 (# 2726:20 Preassigned 2.40, 2.65 A)
&rst
ixpk= 2726, nxpk= 20, iat=1247, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2=1249,1250,1251,
&end
#
# 0 AMB 20-2:2727 0 AMB 20-1:2727 4.00 (# 2727:20 Double Ambig )
&rst
ixpk= 2727, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.79, r4= 7.54,
igr1= 570, 571,1339,1340,
igr2= 605, 606, 607,1249,1250,1251,
&end
#
# 87 ILE HB 81 THR MG2 5.50 (# 2728:20 Preassigned 2.89, 5.74 A)
&rst
ixpk= 2728, nxpk= 20, iat=1356, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1249,1250,1251,
&end
#
# 103 LEU MDY 81 THR MG2 5.50 (# 2729:20 Preassigned 3.09, 6.65 A)
&rst
ixpk= 2729, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1623,1624,1625,1627,1628,1629,
igr2=1249,1250,1251,
&end
#
# 82 MET HN 81 THR MG2 5.50 (# 2730:20 Preassigned 2.84, 4.44 A)
&rst
ixpk= 2730, nxpk= 20, iat=1257, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1249,1250,1251,
&end
#
# 87 ILE HA 81 THR MG2 5.50 (# 2731:20 Preassigned 2.62, 3.99 A)
&rst
ixpk= 2731, nxpk= 20, iat=1354, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1249,1250,1251,
&end
#
# 102 MET HG- 81 THR MG2 5.50 (# 2732:20 Preassigned 5.69, 7.61 A)
&rst
ixpk= 2732, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1604,1605,
igr2=1249,1250,1251,
&end
#
# 104 PHE HZ 19 ALA MB 4.00 (# 2734:20 Preassigned 2.12, 3.23 A)
&rst
ixpk= 2734, nxpk= 20, iat=1645, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2= 284, 285, 286,
&end
#
# 104 PHE HE 0 AMB 20-1:2736 4.00 (# 2736:20 Single Ambig )
&rst
ixpk= 2736, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.48, r4= 7.23,
igr1=1643,1647,
igr2= 113, 114, 115, 117, 118, 119, 284, 285, 286,
&end
#
# 16 SER HA 7 VAL MGY 4.00 (# 2738:20 Preassigned 2.28, 3.91 A)
&rst
ixpk= 2738, nxpk= 20, iat= 243, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr2= 113, 114, 115, 117, 118, 119,
&end
#
# 82 MET ME 0 AMB 20-1:2739 4.00 (# 2739:20 Single Ambig )
&rst
ixpk= 2739, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1268,1269,1270,
igr2= 284, 285, 286, 113, 114, 115, 117, 118, 119,
&end
#
# 6 LEU MDX 7 VAL MGY 5.50 (# 2740:20 Preassigned 4.67, 7.86 A)
&rst
ixpk= 2740, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 97, 98, 99, 101, 102, 103,
igr2= 113, 114, 115, 117, 118, 119,
&end
#
# 147 VAL HN 147 VAL MGX 5.50 (# 2741:20 Preassigned 1.84, 3.60 A)
&rst
ixpk= 2741, nxpk= 20, iat=2324, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=2330,2331,2332,2334,2335,2336,
&end
#
# 147 VAL HA 147 VAL MGX 5.50 (# 2743:20 Preassigned 2.37, 3.48 A)
&rst
ixpk= 2743, nxpk= 20, iat=2326, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=2330,2331,2332,2334,2335,2336,
&end
#
# 36 GLY HA- 39 ALA MB 5.50 (# 2744:20 Preassigned 2.22, 4.32 A)
&rst
ixpk= 2744, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 570, 571,
igr2= 605, 606, 607,
&end
#
# 39 ALA HA 39 ALA MB 4.00 (# 2748:20 Preassigned 2.42, 2.66 A)
&rst
ixpk= 2748, nxpk= 20, iat= 603, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2= 605, 606, 607,
&end
#
# 67 GLN HG+ 39 ALA MB 5.50 (# 2750:20 Preassigned 2.46, 5.30 A)
&rst
ixpk= 2750, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 997, 998,
igr2= 605, 606, 607,
&end
#
# 67 GLN HB+ 39 ALA MB 5.50 (# 2751:20 Preassigned 2.47, 4.64 A)
&rst
ixpk= 2751, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 994, 995,
igr2= 605, 606, 607,
&end
#
# 67 GLN HB- 39 ALA MB 5.50 (# 2752:20 Preassigned 2.47, 4.64 A)
&rst
ixpk= 2752, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 994, 995,
igr2= 605, 606, 607,
&end
#
# 66 ARG HN 39 ALA MB 5.50 (# 2756:20 Preassigned 2.30, 3.21 A)
&rst
ixpk= 2756, nxpk= 20, iat= 966, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 605, 606, 607,
&end
#
# 67 GLN HN 39 ALA MB 5.50 (# 2757:20 Preassigned 3.21, 4.15 A)
&rst
ixpk= 2757, nxpk= 20, iat= 990, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 605, 606, 607,
&end
#
# 68 ILE HN 39 ALA MB 5.50 (# 2758:20 Preassigned 3.61, 4.81 A)
&rst
ixpk= 2758, nxpk= 20, iat=1007, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 605, 606, 607,
&end
#
# 39 ALA HN 39 ALA MB 4.00 (# 2759:20 Preassigned 2.28, 2.86 A)
&rst
ixpk= 2759, nxpk= 20, iat= 601, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2= 605, 606, 607,
&end
#
# 40 LEU HN 39 ALA MB 5.50 (# 2760:20 Preassigned 2.68, 3.63 A)
&rst
ixpk= 2760, nxpk= 20, iat= 611, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 605, 606, 607,
&end
#
# 41 VAL HN 39 ALA MB 5.50 (# 2761:20 Preassigned 3.21, 4.00 A)
&rst
ixpk= 2761, nxpk= 20, iat= 630, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 605, 606, 607,
&end
#
# 0 AMB 20-2:2762 39 ALA MB 4.00 (# 2762:20 Single Ambig )
&rst
ixpk= 2762, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1= 992, 958,
igr2= 605, 606, 607,
&end
#
# 36 GLY HA+ 39 ALA MB 4.00 (# 2764:20 Preassigned 2.22, 4.32 A)
&rst
ixpk= 2764, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1= 570, 571,
igr2= 605, 606, 607,
&end
#
# 65 ALA MB 39 ALA MB 4.00 (# 2765:20 Preassigned 2.27, 4.50 A)
&rst
ixpk= 2765, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
igr1= 960, 961, 962,
igr2= 605, 606, 607,
&end
#
# 36 GLY HN 39 ALA MB 4.00 (# 2766:20 Preassigned 2.22, 3.39 A)
&rst
ixpk= 2766, nxpk= 20, iat= 568, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2= 605, 606, 607,
&end
#
# 132 GLU HA 135 ALA MB 5.50 (# 2767:20 Preassigned 2.20, 3.35 A)
&rst
ixpk= 2767, nxpk= 20, iat=2089, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=2141,2142,2143,
&end
#
# 19 ALA HA 135 ALA MB 5.50 (# 2768:20 Preassigned 2.58, 3.89 A)
&rst
ixpk= 2768, nxpk= 20, iat= 282, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=2141,2142,2143,
&end
#
# 23 LEU MDY 135 ALA MB 5.50 (# 2769:20 Preassigned 2.23, 4.96 A)
&rst
ixpk= 2769, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 357, 358, 359, 361, 362, 363,
igr2=2141,2142,2143,
&end
#
# 135 ALA HN 135 ALA MB 5.50 (# 2770:20 Preassigned 2.44, 2.95 A)
&rst
ixpk= 2770, nxpk= 20, iat=2137, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=2141,2142,2143,
&end
#
# 23 LEU HN 135 ALA MB 6.00 (# 2771:20 Preassigned 3.25, 4.22 A)
&rst
ixpk= 2771, nxpk= 20, iat= 348, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2=2141,2142,2143,
&end
#
# 136 ARG HN 135 ALA MB 4.00 (# 2772:20 Preassigned 2.41, 3.34 A)
&rst
ixpk= 2772, nxpk= 20, iat=2147, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2=2141,2142,2143,
&end
#
# 104 PHE HE 135 ALA MB 5.50 (# 2773:20 Preassigned 2.20, 5.25 A)
&rst
ixpk= 2773, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1643,1647,
igr2=2141,2142,2143,
&end
#
# 0 AMB 20-2:2774 135 ALA MB 4.00 (# 2774:20 Single Ambig )
&rst
ixpk= 2774, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
igr1=1645, 416, 425,
igr2=2141,2142,2143,
&end
#
# 26 TYR HE 135 ALA MB 5.50 (# 2775:20 Preassigned 2.48, 6.05 A)
&rst
ixpk= 2775, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 418, 423,
igr2=2141,2142,2143,
&end
#
# 23 LEU HA 135 ALA MB 5.50 (# 2776:20 Preassigned 2.83, 4.58 A)
&rst
ixpk= 2776, nxpk= 20, iat= 350, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=2141,2142,2143,
&end
#
# 135 ALA HA 135 ALA MB 4.00 (# 2777:20 Preassigned 2.42, 2.66 A)
&rst
ixpk= 2777, nxpk= 20, iat=2139, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2=2141,2142,2143,
&end
#
# 22 LEU HB- 135 ALA MB 5.50 (# 2778:20 Preassigned 2.30, 3.18 A)
&rst
ixpk= 2778, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 333, 334,
igr2=2141,2142,2143,
&end
#
# 22 LEU MDY 135 ALA MB 5.50 (# 2779:20 Preassigned 2.42, 5.01 A)
&rst
ixpk= 2779, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 338, 339, 340, 342, 343, 344,
igr2=2141,2142,2143,
&end
#
# 23 LEU MDX 135 ALA MB 5.50 (# 2780:20 Preassigned 2.23, 4.96 A)
&rst
ixpk= 2780, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 357, 358, 359, 361, 362, 363,
igr2=2141,2142,2143,
&end
#
# 22 LEU HN 135 ALA MB 6.00 (# 2785:20 Preassigned 4.62, 5.34 A)
&rst
ixpk= 2785, nxpk= 20, iat= 329, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2=2141,2142,2143,
&end
#
# 19 ALA MB 135 ALA MB 5.50 (# 2786:20 Preassigned 3.39, 5.65 A)
&rst
ixpk= 2786, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 284, 285, 286,
igr2=2141,2142,2143,
&end
#
# 144 ALA HN 144 ALA MB 2.80 (# 2787:20 Preassigned 2.44, 3.10 A)
&rst
ixpk= 2787, nxpk= 20, iat=2282, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=2286,2287,2288,
&end
#
# 144 ALA HA 144 ALA MB 4.00 (# 2788:20 Preassigned 2.38, 2.67 A)
&rst
ixpk= 2788, nxpk= 20, iat=2284, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2=2286,2287,2288,
&end
#
# 141 ALA HA 144 ALA MB 6.00 (# 2790:20 Preassigned 2.43, 4.28 A)
&rst
ixpk= 2790, nxpk= 20, iat=2241, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2=2286,2287,2288,
&end
#
# 140 GLN HG+ 144 ALA MB 5.50 (# 2793:20 Preassigned 4.09, 6.39 A)
&rst
ixpk= 2793, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2229,2230,
igr2=2286,2287,2288,
&end
#
# 43 LYS HB- 65 ALA MB 5.50 (# 2794:20 Preassigned 2.27, 3.79 A)
&rst
ixpk= 2794, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 657, 658,
igr2= 960, 961, 962,
&end
#
# 145 GLU HN 144 ALA MB 4.00 (# 2796:20 Preassigned 1.87, 4.02 A)
&rst
ixpk= 2796, nxpk= 20, iat=2292, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2=2286,2287,2288,
&end
#
# 40 LEU HN 65 ALA MB 5.50 (# 2797:20 Preassigned 2.20, 3.52 A)
&rst
ixpk= 2797, nxpk= 20, iat= 611, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 960, 961, 962,
&end
#
# 42 GLY HA- 65 ALA MB 5.50 (# 2798:20 Preassigned 3.91, 5.60 A)
&rst
ixpk= 2798, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 648, 649,
igr2= 960, 961, 962,
&end
#
# 0 AMB 20-2:2799 65 ALA MB 4.00 (# 2799:20 Single Ambig )
&rst
ixpk= 2799, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1= 663, 664, 663, 664,
igr2= 960, 961, 962,
&end
#
# 141 ALA HA 144 ALA MB 5.50 (# 2803:20 Preassigned 2.43, 4.28 A)
&rst
ixpk= 2803, nxpk= 20, iat=2241, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=2286,2287,2288,
&end
#
# 65 ALA HN 65 ALA MB 4.00 (# 2804:20 Preassigned 2.27, 2.87 A)
&rst
ixpk= 2804, nxpk= 20, iat= 956, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2= 960, 961, 962,
&end
#
# 43 LYS HN 65 ALA MB 5.50 (# 2805:20 Preassigned 2.20, 3.28 A)
&rst
ixpk= 2805, nxpk= 20, iat= 653, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 960, 961, 962,
&end
#
# 63 HIS HD2 65 ALA MB 7.00 (# 2806:20 Preassigned 3.73, 5.90 A)
&rst
ixpk= 2806, nxpk= 20, iat= 941, -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr2= 960, 961, 962,
&end
#
# 44 GLY HA+ 65 ALA MB 6.00 (# 2807:20 Preassigned 4.23, 6.30 A)
&rst
ixpk= 2807, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 677, 678,
igr2= 960, 961, 962,
&end
#
# 65 ALA HA 65 ALA MB 5.50 (# 2808:20 Preassigned 2.42, 2.66 A)
&rst
ixpk= 2808, nxpk= 20, iat= 958, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 960, 961, 962,
&end
#
# 97 MET HN 94 ALA MB 5.50 (# 2810:20 Preassigned 3.10, 4.20 A)
&rst
ixpk= 2810, nxpk= 20, iat=1511, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1476,1477,1478,
&end
#
# 94 ALA HN 94 ALA MB 4.00 (# 2811:20 Preassigned 2.64, 3.30 A)
&rst
ixpk= 2811, nxpk= 20, iat=1472, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2=1476,1477,1478,
&end
#
# 94 ALA HA 94 ALA MB 4.00 (# 2812:20 Preassigned 2.41, 2.65 A)
&rst
ixpk= 2812, nxpk= 20, iat=1474, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2=1476,1477,1478,
&end
#
# 0 AMB 20-2:2813 94 ALA MB 7.00 (# 2813:20 Single Ambig )
&rst
ixpk= 2813, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1=1431,1412,
igr2=1476,1477,1478,
&end
#
# 73 CYS HA 94 ALA MB 5.50 (# 2814:20 Preassigned 4.93, 5.74 A)
&rst
ixpk= 2814, nxpk= 20, iat=1106, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1476,1477,1478,
&end
#
# 95 PRO HD+ 94 ALA MB 6.00 (# 2815:20 Preassigned 4.05, 4.89 A)
&rst
ixpk= 2815, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1483,1484,
igr2=1476,1477,1478,
&end
#
# 0 AMB 20-2:2818 94 ALA MB 5.50 (# 2818:20 Single Ambig )
&rst
ixpk= 2818, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1518,1519,1462,1463,
igr2=1476,1477,1478,
&end
#
# 93 MET HB+ 94 ALA MB 5.50 (# 2819:20 Preassigned 3.51, 4.70 A)
&rst
ixpk= 2819, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1459,1460,
igr2=1476,1477,1478,
&end
#
# 96 GLU HN 94 ALA MB 5.50 (# 2820:20 Preassigned 3.42, 4.69 A)
&rst
ixpk= 2820, nxpk= 20, iat=1496, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1476,1477,1478,
&end
#
# 95 PRO HD- 94 ALA MB 5.50 (# 2821:20 Preassigned 4.05, 4.89 A)
&rst
ixpk= 2821, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1483,1484,
igr2=1476,1477,1478,
&end
#
# 93 MET HG- 94 ALA MB 5.50 (# 2822:20 Preassigned 2.62, 6.58 A)
&rst
ixpk= 2822, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1462,1463,
igr2=1476,1477,1478,
&end
#
# 97 MET HB- 94 ALA MB 5.50 (# 2823:20 Preassigned 2.24, 4.44 A)
&rst
ixpk= 2823, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1515,1516,
igr2=1476,1477,1478,
&end
#
# 66 ARG HN 65 ALA MB 4.00 (# 2834:20 Preassigned 2.84, 3.90 A)
&rst
ixpk= 2834, nxpk= 20, iat= 966, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2= 960, 961, 962,
&end
#
# 40 LEU HN 65 ALA MB 5.50 (# 2835:20 Preassigned 2.20, 3.52 A)
&rst
ixpk= 2835, nxpk= 20, iat= 611, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 960, 961, 962,
&end
#
# 41 VAL HA 65 ALA MB 5.50 (# 2836:20 Preassigned 2.21, 3.21 A)
&rst
ixpk= 2836, nxpk= 20, iat= 632, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 960, 961, 962,
&end
#
# 43 LYS HB+ 65 ALA MB 5.50 (# 2837:20 Preassigned 2.27, 3.79 A)
&rst
ixpk= 2837, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 657, 658,
igr2= 960, 961, 962,
&end
#
# 42 GLY HN 65 ALA MB 5.50 (# 2838:20 Preassigned 2.16, 3.49 A)
&rst
ixpk= 2838, nxpk= 20, iat= 646, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 960, 961, 962,
&end
#
# 41 VAL HN 65 ALA MB 5.50 (# 2839:20 Preassigned 3.27, 4.32 A)
&rst
ixpk= 2839, nxpk= 20, iat= 630, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 960, 961, 962,
&end
#
# 70 ARG HA 94 ALA MB 5.50 (# 2840:20 Preassigned 2.41, 3.98 A)
&rst
ixpk= 2840, nxpk= 20, iat=1039, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1476,1477,1478,
&end
#
# 70 ARG HG- 94 ALA MB 5.50 (# 2841:20 Preassigned 2.33, 4.26 A)
&rst
ixpk= 2841, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1044,1045,
igr2=1476,1477,1478,
&end
#
# 90 LEU MDY 94 ALA MB 5.50 (# 2842:20 Preassigned 2.75, 6.46 A)
&rst
ixpk= 2842, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1419,1420,1421,1423,1424,1425,
igr2=1476,1477,1478,
&end
#
# 131 LEU HB- 82 MET ME 5.50 (# 2844:20 Preassigned 2.50, 4.36 A)
&rst
ixpk= 2844, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2072,2073,
igr2=1268,1269,1270,
&end
#
# 80 LEU HB+ 82 MET ME 5.50 (# 2845:20 Preassigned 3.04, 5.72 A)
&rst
ixpk= 2845, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1228,1229,
igr2=1268,1269,1270,
&end
#
# 45 ALA HN 45 ALA MB 4.00 (# 2847:20 Preassigned 2.42, 2.93 A)
&rst
ixpk= 2847, nxpk= 20, iat= 682, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2= 686, 687, 688,
&end
#
# 44 GLY HA+ 45 ALA MB 6.00 (# 2848:20 Preassigned 4.11, 5.29 A)
&rst
ixpk= 2848, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 677, 678,
igr2= 686, 687, 688,
&end
#
# 45 ALA HA 45 ALA MB 4.00 (# 2849:20 Preassigned 2.43, 2.66 A)
&rst
ixpk= 2849, nxpk= 20, iat= 684, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2= 686, 687, 688,
&end
#
# 50 ILE HA 45 ALA MB 6.00 (# 2850:20 Preassigned 4.37, 5.44 A)
&rst
ixpk= 2850, nxpk= 20, iat= 744, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 686, 687, 688,
&end
#
# 50 ILE HG1+ 45 ALA MB 4.00 (# 2852:20 Preassigned 2.46, 3.57 A)
&rst
ixpk= 2852, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1= 752, 753,
igr2= 686, 687, 688,
&end
#
# 0 AMB 20-2:2853 0 AMB 20-1:2853 4.00 (# 2853:20 Double Ambig )
&rst
ixpk= 2853, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.05, r4= 7.80,
igr1= 755, 756, 757,2072,2073,
igr2= 686, 687, 688,1268,1269,1270,
&end
#
# 62 GLY HA+ 45 ALA MB 5.50 (# 2854:20 Preassigned 5.04, 7.58 A)
&rst
ixpk= 2854, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 923, 924,
igr2= 686, 687, 688,
&end
#
# 26 TYR HN 139 ALA MB 5.50 (# 2855:20 Preassigned 4.43, 5.38 A)
&rst
ixpk= 2855, nxpk= 20, iat= 408, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=2216,2217,2218,
&end
#
# 27 HIS HB+ 139 ALA MB 5.50 (# 2857:20 Preassigned 2.71, 5.78 A)
&rst
ixpk= 2857, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 433, 434,
igr2=2216,2217,2218,
&end
#
# 26 TYR HB- 139 ALA MB 5.50 (# 2858:20 Preassigned 2.39, 3.06 A)
&rst
ixpk= 2858, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 412, 413,
igr2=2216,2217,2218,
&end
#
# 139 ALA HN 139 ALA MB 4.00 (# 2859:20 Preassigned 2.51, 2.92 A)
&rst
ixpk= 2859, nxpk= 20, iat=2212, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2=2216,2217,2218,
&end
#
# 140 GLN HN 139 ALA MB 4.00 (# 2860:20 Preassigned 2.75, 3.61 A)
&rst
ixpk= 2860, nxpk= 20, iat=2222, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2=2216,2217,2218,
&end
#
# 26 TYR HD 139 ALA MB 5.50 (# 2861:20 Preassigned 2.29, 4.64 A)
&rst
ixpk= 2861, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 416, 425,
igr2=2216,2217,2218,
&end
#
# 27 HIS HD2 139 ALA MB 4.00 (# 2862:20 Preassigned 2.59, 4.19 A)
&rst
ixpk= 2862, nxpk= 20, iat= 442, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2=2216,2217,2218,
&end
#
# 0 AMB 20-2:2863 139 ALA MB 5.50 (# 2863:20 Single Ambig )
&rst
ixpk= 2863, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2224,2139,
igr2=2216,2217,2218,
&end
#
# 139 ALA HA 139 ALA MB 4.00 (# 2864:20 Preassigned 2.41, 2.65 A)
&rst
ixpk= 2864, nxpk= 20, iat=2214, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2=2216,2217,2218,
&end
#
# 136 ARG HA 139 ALA MB 4.00 (# 2865:20 Preassigned 2.34, 3.33 A)
&rst
ixpk= 2865, nxpk= 20, iat=2149, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2=2216,2217,2218,
&end
#
# 26 TYR HB+ 139 ALA MB 4.00 (# 2866:20 Preassigned 2.39, 3.06 A)
&rst
ixpk= 2866, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1= 412, 413,
igr2=2216,2217,2218,
&end
#
# 140 GLN HB- 139 ALA MB 7.00 (# 2867:20 Preassigned 4.33, 5.75 A)
&rst
ixpk= 2867, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1=2226,2227,
igr2=2216,2217,2218,
&end
#
# 136 ARG HB+ 139 ALA MB 5.50 (# 2868:20 Preassigned 3.81, 5.80 A)
&rst
ixpk= 2868, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2151,2152,
igr2=2216,2217,2218,
&end
#
# 136 ARG HG+ 139 ALA MB 7.00 (# 2869:20 Preassigned 3.51, 5.71 A)
&rst
ixpk= 2869, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1=2154,2155,
igr2=2216,2217,2218,
&end
#
# 23 LEU MDX 139 ALA MB 5.50 (# 2870:20 Preassigned 2.36, 6.04 A)
&rst
ixpk= 2870, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 357, 358, 359, 361, 362, 363,
igr2=2216,2217,2218,
&end
#
# 26 TYR HA 139 ALA MB 5.50 (# 2871:20 Preassigned 4.58, 5.23 A)
&rst
ixpk= 2871, nxpk= 20, iat= 410, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=2216,2217,2218,
&end
#
# 23 LEU MDY 139 ALA MB 5.50 (# 2872:20 Preassigned 2.36, 6.04 A)
&rst
ixpk= 2872, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 357, 358, 359, 361, 362, 363,
igr2=2216,2217,2218,
&end
#
# 142 LEU MDX 139 ALA MB 5.50 (# 2873:20 Preassigned 3.84, 7.02 A)
&rst
ixpk= 2873, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=2258,2259,2260,2262,2263,2264,
igr2=2216,2217,2218,
&end
#
# 104 PHE HD 82 MET ME 5.50 (# 2874:20 Preassigned 2.50, 4.22 A)
&rst
ixpk= 2874, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1641,1649,
igr2=1268,1269,1270,
&end
#
# 81 THR HA 82 MET ME 6.00 (# 2875:20 Preassigned 3.75, 5.26 A)
&rst
ixpk= 2875, nxpk= 20, iat=1245, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2=1268,1269,1270,
&end
#
# 82 MET HA 82 MET ME 5.50 (# 2876:20 Preassigned 3.98, 4.89 A)
&rst
ixpk= 2876, nxpk= 20, iat=1259, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1268,1269,1270,
&end
#
# 113 ILE QD1 82 MET ME 4.00 (# 2877:20 Preassigned 2.51, 4.97 A)
&rst
ixpk= 2877, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
igr1=1781,1782,1783,
igr2=1268,1269,1270,
&end
#
# 131 LEU MDY 82 MET ME 4.00 (# 2878:20 Preassigned 2.16, 4.59 A)
&rst
ixpk= 2878, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.48, r4= 7.23,
igr1=2077,2078,2079,2081,2082,2083,
igr2=1268,1269,1270,
&end
#
# 63 HIS HD2 45 ALA MB 5.50 (# 2881:20 Preassigned 2.55, 4.45 A)
&rst
ixpk= 2881, nxpk= 20, iat= 941, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 686, 687, 688,
&end
#
# 60 LEU HA 45 ALA MB 6.00 (# 2883:20 Preassigned 4.47, 5.46 A)
&rst
ixpk= 2883, nxpk= 20, iat= 889, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 686, 687, 688,
&end
#
# 19 ALA HN 82 MET ME 5.50 (# 2884:20 Preassigned 3.81, 4.84 A)
&rst
ixpk= 2884, nxpk= 20, iat= 280, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1268,1269,1270,
&end
#
# 0 AMB 20-2:2886 82 MET ME 5.50 (# 2886:20 Single Ambig )
&rst
ixpk= 2886, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1243, 123,
igr2=1268,1269,1270,
&end
#
# 82 MET HN 82 MET ME 5.50 (# 2887:20 Preassigned 4.40, 5.49 A)
&rst
ixpk= 2887, nxpk= 20, iat=1257, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1268,1269,1270,
&end
#
# 16 SER HA 82 MET ME 5.50 (# 2888:20 Preassigned 2.69, 4.24 A)
&rst
ixpk= 2888, nxpk= 20, iat= 243, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1268,1269,1270,
&end
#
# 104 PHE HB- 82 MET ME 5.50 (# 2891:20 Unique 2.78, 4.61 A)
&rst
ixpk= 2891, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1637,1638,
igr2=1268,1269,1270,
&end
#
# 7 VAL MGX 82 MET ME 4.00 (# 2894:20 Preassigned 2.28, 4.97 A)
&rst
ixpk= 2894, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.48, r4= 7.23,
igr1= 113, 114, 115, 117, 118, 119,
igr2=1268,1269,1270,
&end
#
# 104 PHE HE 82 MET ME 7.00 (# 2895:20 Preassigned 2.64, 4.26 A)
&rst
ixpk= 2895, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1=1643,1647,
igr2=1268,1269,1270,
&end
#
# 107 TRP HH2 141 ALA MB 7.00 (# 2896:20 Unique 2.45, 4.04 A)
&rst
ixpk= 2896, nxpk= 20, iat=1692, -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr2=2243,2244,2245,
&end
#
# 140 GLN HA 141 ALA MB 6.00 (# 2897:20 Preassigned 5.80, 6.11 A)
&rst
ixpk= 2897, nxpk= 20, iat=2224, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2=2243,2244,2245,
&end
#
# 139 ALA HA 141 ALA MB 5.50 (# 2898:20 Preassigned 5.00, 6.11 A)
&rst
ixpk= 2898, nxpk= 20, iat=2214, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=2243,2244,2245,
&end
#
# 142 LEU HN 141 ALA MB 4.00 (# 2899:20 Preassigned 2.50, 3.47 A)
&rst
ixpk= 2899, nxpk= 20, iat=2249, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2=2243,2244,2245,
&end
#
# 141 ALA HN 141 ALA MB 4.00 (# 2900:20 Preassigned 2.41, 2.90 A)
&rst
ixpk= 2900, nxpk= 20, iat=2239, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2=2243,2244,2245,
&end
#
# 140 GLN HN 141 ALA MB 5.50 (# 2901:20 Preassigned 4.68, 5.45 A)
&rst
ixpk= 2901, nxpk= 20, iat=2222, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=2243,2244,2245,
&end
#
# 138 TRP HA 141 ALA MB 4.00 (# 2902:20 Preassigned 2.47, 3.34 A)
&rst
ixpk= 2902, nxpk= 20, iat=2190, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2=2243,2244,2245,
&end
#
# 141 ALA HA 141 ALA MB 2.80 (# 2903:20 Preassigned 2.41, 2.66 A)
&rst
ixpk= 2903, nxpk= 20, iat=2241, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=2243,2244,2245,
&end
#
# 142 LEU HB- 141 ALA MB 5.50 (# 2904:20 Preassigned 4.53, 6.18 A)
&rst
ixpk= 2904, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2253,2254,
igr2=2243,2244,2245,
&end
#
# 107 TRP HZ2 141 ALA MB 7.00 (# 2905:20 Unique 2.35, 3.13 A)
&rst
ixpk= 2905, nxpk= 20, iat=1690, -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr2=2243,2244,2245,
&end
#
# 107 TRP HE1 141 ALA MB 5.50 (# 2906:20 Preassigned 3.22, 4.54 A)
&rst
ixpk= 2906, nxpk= 20, iat=1687, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=2243,2244,2245,
&end
#
# 142 LEU HA 141 ALA MB 6.00 (# 2907:20 Preassigned 4.35, 4.98 A)
&rst
ixpk= 2907, nxpk= 20, iat=2251, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2=2243,2244,2245,
&end
#
# 0 AMB 20-2:2908 141 ALA MB 5.50 (# 2908:20 Single Ambig )
&rst
ixpk= 2908, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=2256,2229,2230,
igr2=2243,2244,2245,
&end
#
# 79 ILE HN 79 ILE QG2 5.50 (# 2909:20 Preassigned 4.18, 4.67 A)
&rst
ixpk= 2909, nxpk= 20, iat=1205, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1211,1212,1213,
&end
#
# 97 MET ME 79 ILE QG2 7.00 (# 2910:20 Preassigned 3.17, 6.68 A)
&rst
ixpk= 2910, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.10, r4=10.85,
igr1=1522,1523,1524,
igr2=1211,1212,1213,
&end
#
# 6 LEU MDY 79 ILE QG2 5.50 (# 2911:20 Preassigned 2.37, 5.73 A)
&rst
ixpk= 2911, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 97, 98, 99, 101, 102, 103,
igr2=1211,1212,1213,
&end
#
# 6 LEU HB+ 79 ILE QG2 5.50 (# 2912:20 Preassigned 2.29, 4.70 A)
&rst
ixpk= 2912, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 92, 93,
igr2=1211,1212,1213,
&end
#
# 80 LEU HN 79 ILE QG2 4.00 (# 2913:20 Preassigned 2.88, 4.04 A)
&rst
ixpk= 2913, nxpk= 20, iat=1224, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2=1211,1212,1213,
&end
#
# 79 ILE HA 79 ILE QG2 4.00 (# 2914:20 Preassigned 2.37, 3.13 A)
&rst
ixpk= 2914, nxpk= 20, iat=1207, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2=1211,1212,1213,
&end
#
# 0 AMB 20-2:2915 79 ILE QG2 4.00 (# 2915:20 Single Ambig )
&rst
ixpk= 2915, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1=1209,1417,
igr2=1211,1212,1213,
&end
#
# 6 LEU MDX 79 ILE QG2 4.00 (# 2917:20 Preassigned 2.37, 5.73 A)
&rst
ixpk= 2917, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.48, r4= 7.23,
igr1= 97, 98, 99, 101, 102, 103,
igr2=1211,1212,1213,
&end
#
# 128 TYR HD 53 ALA MB 6.00 (# 2918:20 Preassigned 2.91, 6.17 A)
&rst
ixpk= 2918, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=2022,2031,
igr2= 792, 793, 794,
&end
#
# 56 HIS HB+ 53 ALA MB 5.50 (# 2919:20 Preassigned 3.92, 5.88 A)
&rst
ixpk= 2919, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 827, 828,
igr2= 792, 793, 794,
&end
#
# 0 AMB 20-2:2920 53 ALA MB 7.00 (# 2920:20 Single Ambig )
&rst
ixpk= 2920, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.10, r4=10.85,
igr1= 268, 827, 828,
igr2= 792, 793, 794,
&end
#
# 125 ALA HN 125 ALA MB 4.00 (# 2923:20 Preassigned 2.49, 2.89 A)
&rst
ixpk= 2923, nxpk= 20, iat=1978, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2=1982,1983,1984,
&end
#
# 59 SER HN 53 ALA MB 6.00 (# 2924:20 Preassigned 4.44, 6.22 A)
&rst
ixpk= 2924, nxpk= 20, iat= 876, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 792, 793, 794,
&end
#
# 129 THR HB 0 AMB 20-1:2925 5.50 (# 2925:20 Single Ambig )
&rst
ixpk= 2925, nxpk= 20, iat=2039, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1992,1993,1994,1982,1983,1984,
&end
#
# 0 AMB 20-2:2926 0 AMB 20-1:2926 4.00 (# 2926:20 Double Ambig )
&rst
ixpk= 2926, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1=1931,1946,
igr2=1982,1983,1984,1992,1993,1994,
&end
#
# 58 LEU MDY 53 ALA MB 5.50 (# 2929:20 Preassigned 2.22, 5.76 A)
&rst
ixpk= 2929, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 866, 867, 868, 870, 871, 872,
igr2= 792, 793, 794,
&end
#
# 54 ALA HN 53 ALA MB 4.00 (# 2930:20 Preassigned 2.42, 3.43 A)
&rst
ixpk= 2930, nxpk= 20, iat= 798, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2= 792, 793, 794,
&end
#
# 53 ALA HN 53 ALA MB 4.00 (# 2931:20 Preassigned 2.36, 2.87 A)
&rst
ixpk= 2931, nxpk= 20, iat= 788, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2= 792, 793, 794,
&end
#
# 128 TYR HE 53 ALA MB 5.50 (# 2932:20 Preassigned 2.41, 5.49 A)
&rst
ixpk= 2932, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2024,2029,
igr2= 792, 793, 794,
&end
#
# 53 ALA HA 53 ALA MB 4.00 (# 2934:20 Preassigned 2.41, 2.66 A)
&rst
ixpk= 2934, nxpk= 20, iat= 790, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2= 792, 793, 794,
&end
#
# 50 ILE HA 53 ALA MB 5.50 (# 2935:20 Preassigned 2.83, 4.06 A)
&rst
ixpk= 2935, nxpk= 20, iat= 744, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 792, 793, 794,
&end
#
# 58 LEU HB- 53 ALA MB 5.50 (# 2936:20 Preassigned 2.24, 4.51 A)
&rst
ixpk= 2936, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 861, 862,
igr2= 792, 793, 794,
&end
#
# 0 AMB 20-2:2937 53 ALA MB 4.00 (# 2937:20 Single Ambig )
&rst
ixpk= 2937, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.27, r4= 8.02,
igr1= 896, 897, 898, 900, 901, 902, 896, 897, 898, 900,
901, 902,
igr2= 792, 793, 794,
&end
#
# 58 LEU HB+ 53 ALA MB 4.00 (# 2938:20 Preassigned 2.24, 4.51 A)
&rst
ixpk= 2938, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1= 861, 862,
igr2= 792, 793, 794,
&end
#
# 58 LEU MDX 53 ALA MB 4.00 (# 2939:20 Preassigned 2.22, 5.76 A)
&rst
ixpk= 2939, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.48, r4= 7.23,
igr1= 866, 867, 868, 870, 871, 872,
igr2= 792, 793, 794,
&end
#
# 0 AMB 20-2:2940 0 AMB 20-1:2940 5.50 (# 2940:20 Double Ambig )
&rst
ixpk= 2940, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 823,2049,
igr2= 792, 793, 794,1992,1993,1994,
&end
#
# 127 VAL HN 126 ALA MB 4.00 (# 2941:20 Preassigned 2.45, 3.31 A)
&rst
ixpk= 2941, nxpk= 20, iat=1998, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2=1992,1993,1994,
&end
#
# 126 ALA HN 0 AMB 20-1:2942 4.00 (# 2942:20 Single Ambig )
&rst
ixpk= 2942, nxpk= 20, iat=1988, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr2=1992,1993,1994,1982,1983,1984,
&end
#
# 0 AMB 20-2:2943 0 AMB 20-1:2943 2.80 (# 2943:20 Double Ambig )
&rst
ixpk= 2943, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1980,1990,
igr2=1982,1983,1984,1992,1993,1994,
&end
#
# 122 GLU HG+ 126 ALA MB 5.50 (# 2944:20 Preassigned 3.76, 6.57 A)
&rst
ixpk= 2944, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1936,1937,
igr2=1992,1993,1994,
&end
#
# 0 AMB 20-2:2949 113 ILE QG2 5.50 (# 2949:20 Single Ambig )
&rst
ixpk= 2949, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1261,1262,1261,1262,
igr2=1774,1775,1776,
&end
#
# 131 LEU HA 113 ILE QG2 6.00 (# 2952:20 Preassigned 3.94, 5.45 A)
&rst
ixpk= 2952, nxpk= 20, iat=2070, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2=1774,1775,1776,
&end
#
# 127 VAL HA 113 ILE QG2 5.50 (# 2953:20 Preassigned 3.14, 4.11 A)
&rst
ixpk= 2953, nxpk= 20, iat=2000, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1774,1775,1776,
&end
#
# 114 PRO HD+ 113 ILE QG2 5.50 (# 2954:20 Preassigned 2.34, 3.66 A)
&rst
ixpk= 2954, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1788,1789,
igr2=1774,1775,1776,
&end
#
# 82 MET HG+ 113 ILE QG2 5.50 (# 2955:20 Preassigned 3.06, 5.03 A)
&rst
ixpk= 2955, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1264,1265,
igr2=1774,1775,1776,
&end
#
# 130 LEU HB+ 113 ILE QG2 5.50 (# 2956:20 Preassigned 2.56, 4.75 A)
&rst
ixpk= 2956, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2053,2054,
igr2=1774,1775,1776,
&end
#
# 113 ILE HB 113 ILE QG2 4.00 (# 2957:20 Preassigned 2.36, 2.65 A)
&rst
ixpk= 2957, nxpk= 20, iat=1772, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2=1774,1775,1776,
&end
#
# 46 ASP HN 49 ALA MB 5.50 (# 2961:20 Preassigned 2.98, 3.95 A)
&rst
ixpk= 2961, nxpk= 20, iat= 692, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 736, 737, 738,
&end
#
# 49 ALA HA 49 ALA MB 4.00 (# 2962:20 Preassigned 2.36, 2.65 A)
&rst
ixpk= 2962, nxpk= 20, iat= 734, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2= 736, 737, 738,
&end
#
# 46 ASP HB+ 49 ALA MB 5.50 (# 2963:20 Preassigned 2.20, 4.11 A)
&rst
ixpk= 2963, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 696, 697,
igr2= 736, 737, 738,
&end
#
# 46 ASP HB- 49 ALA MB 5.50 (# 2964:20 Preassigned 2.20, 4.11 A)
&rst
ixpk= 2964, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 696, 697,
igr2= 736, 737, 738,
&end
#
# 17 PRO HG- 49 ALA MB 5.50 (# 2965:20 Preassigned 3.27, 4.74 A)
&rst
ixpk= 2965, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 256, 257,
igr2= 736, 737, 738,
&end
#
# 0 AMB 20-2:2966 49 ALA MB 5.50 (# 2966:20 Single Ambig )
&rst
ixpk= 2966, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 896, 897, 898, 900, 901, 902, 896, 897, 898, 900,
901, 902,
igr2= 736, 737, 738,
&end
#
# 48 THR HN 49 ALA MB 5.50 (# 2967:20 Preassigned 4.52, 5.10 A)
&rst
ixpk= 2967, nxpk= 20, iat= 718, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 736, 737, 738,
&end
#
# 53 ALA HN 49 ALA MB 5.50 (# 2968:20 Preassigned 4.38, 5.25 A)
&rst
ixpk= 2968, nxpk= 20, iat= 788, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 736, 737, 738,
&end
#
# 0 AMB 20-2:2971 49 ALA MB 5.50 (# 2971:20 Single Ambig )
&rst
ixpk= 2971, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.64, r4= 9.39,
igr1= 686, 687, 688, 256, 257,
igr2= 736, 737, 738,
&end
#
# 54 ALA HN 54 ALA MB 4.00 (# 2972:20 Preassigned 2.54, 2.97 A)
&rst
ixpk= 2972, nxpk= 20, iat= 798, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2= 802, 803, 804,
&end
#
# 53 ALA HN 54 ALA MB 5.50 (# 2973:20 Preassigned 4.77, 5.49 A)
&rst
ixpk= 2973, nxpk= 20, iat= 788, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 802, 803, 804,
&end
#
# 0 AMB 20-2:2975 54 ALA MB 4.00 (# 2975:20 Single Ambig )
&rst
ixpk= 2975, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
igr1= 808, 852, 853,
igr2= 802, 803, 804,
&end
#
# 51 SER HA 54 ALA MB 4.00 (# 2977:20 Preassigned 2.72, 4.25 A)
&rst
ixpk= 2977, nxpk= 20, iat= 763, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2= 802, 803, 804,
&end
#
# 54 ALA HA 54 ALA MB 4.00 (# 2978:20 Preassigned 2.40, 2.65 A)
&rst
ixpk= 2978, nxpk= 20, iat= 800, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2= 802, 803, 804,
&end
#
# 0 AMB 20-2:2979 54 ALA MB 5.50 (# 2979:20 Single Ambig )
&rst
ixpk= 2979, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 812, 813, 861, 862,
igr2= 802, 803, 804,
&end
#
# 50 ILE QG2 54 ALA MB 5.50 (# 2980:20 Preassigned 2.72, 4.47 A)
&rst
ixpk= 2980, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 748, 749, 750,
igr2= 802, 803, 804,
&end
#
# 57 GLN HG+ 54 ALA MB 5.50 (# 2981:20 Preassigned 4.73, 7.50 A)
&rst
ixpk= 2981, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 847, 848,
igr2= 802, 803, 804,
&end
#
# 113 ILE HA 113 ILE QG2 5.50 (# 2982:20 Preassigned 2.60, 3.24 A)
&rst
ixpk= 2982, nxpk= 20, iat=1770, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1774,1775,1776,
&end
#
# 36 GLY HN 68 ILE QG2 6.00 (# 2983:20 Preassigned 4.42, 5.69 A)
&rst
ixpk= 2983, nxpk= 20, iat= 568, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2=1013,1014,1015,
&end
#
# 68 ILE HN 68 ILE QG2 5.50 (# 2984:20 Preassigned 1.99, 3.03 A)
&rst
ixpk= 2984, nxpk= 20, iat=1007, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1013,1014,1015,
&end
#
# 67 GLN HE2+ 68 ILE QG2 5.50 (# 2985:20 Preassigned 2.46, 4.77 A)
&rst
ixpk= 2985, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1002,1003,
igr2=1013,1014,1015,
&end
#
# 67 GLN HE2- 68 ILE QG2 4.00 (# 2986:20 Unique 2.46, 4.77 A)
&rst
ixpk= 2986, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1=1002,1003,
igr2=1013,1014,1015,
&end
#
# 37 LEU HA 68 ILE QG2 4.00 (# 2987:20 Preassigned 2.16, 2.86 A)
&rst
ixpk= 2987, nxpk= 20, iat= 577, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2=1013,1014,1015,
&end
#
# 68 ILE HB 68 ILE QG2 4.00 (# 2988:20 Preassigned 2.39, 2.66 A)
&rst
ixpk= 2988, nxpk= 20, iat=1011, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2=1013,1014,1015,
&end
#
# 68 ILE HG1+ 68 ILE QG2 4.00 (# 2989:20 Preassigned 2.39, 3.29 A)
&rst
ixpk= 2989, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1=1017,1018,
igr2=1013,1014,1015,
&end
#
# 35 ALA MB 68 ILE QG2 5.50 (# 2990:20 Preassigned 4.46, 6.02 A)
&rst
ixpk= 2990, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 562, 563, 564,
igr2=1013,1014,1015,
&end
#
# 93 MET ME 68 ILE QG2 4.00 (# 2991:20 Preassigned 2.29, 4.15 A)
&rst
ixpk= 2991, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
igr1=1466,1467,1468,
igr2=1013,1014,1015,
&end
#
# 67 GLN HA 68 ILE QG2 5.50 (# 2993:20 Preassigned 3.83, 5.07 A)
&rst
ixpk= 2993, nxpk= 20, iat= 992, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1013,1014,1015,
&end
#
# 2 PHE HE 1 MET ME 5.50 (# 2996:20 Preassigned 2.80, 7.26 A)
&rst
ixpk= 2996, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 31, 35,
igr2= 15, 16, 17,
&end
#
# 2 PHE HD 1 MET ME 6.00 (# 2997:20 Preassigned 2.82, 6.58 A)
&rst
ixpk= 2997, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 29, 37,
igr2= 15, 16, 17,
&end
#
# 67 GLN HE2+ 93 MET ME 6.00 (# 2998:20 Preassigned 2.22, 5.23 A)
&rst
ixpk= 2998, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1002,1003,
igr2=1466,1467,1468,
&end
#
# 0 AMB 20-2:3000 68 ILE QD1 5.50 (# 3000:20 Single Ambig )
&rst
ixpk= 3000, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1104,1085,
igr2=1020,1021,1022,
&end
#
# 69 SER HN 68 ILE QD1 5.50 (# 3001:20 Preassigned 2.09, 3.87 A)
&rst
ixpk= 3001, nxpk= 20, iat=1026, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1020,1021,1022,
&end
#
# 35 ALA MB 68 ILE QD1 4.00 (# 3004:20 Preassigned 2.70, 4.87 A)
&rst
ixpk= 3004, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
igr1= 562, 563, 564,
igr2=1020,1021,1022,
&end
#
# 68 ILE HN 68 ILE QD1 5.50 (# 3005:20 Preassigned 4.46, 5.22 A)
&rst
ixpk= 3005, nxpk= 20, iat=1007, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1020,1021,1022,
&end
#
# 93 MET ME 68 ILE QD1 5.50 (# 3008:20 Preassigned 3.93, 6.70 A)
&rst
ixpk= 3008, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1466,1467,1468,
igr2=1020,1021,1022,
&end
#
# 0 AMB 20-2:3009 68 ILE QD1 4.00 (# 3009:20 Single Ambig )
&rst
ixpk= 3009, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
igr1=1017,1018,1011,
igr2=1020,1021,1022,
&end
#
# 68 ILE HG1+ 68 ILE QD1 2.80 (# 3010:20 Preassigned 2.37, 2.65 A)
&rst
ixpk= 3010, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1017,1018,
igr2=1020,1021,1022,
&end
#
# 6 LEU MDY 68 ILE QD1 5.50 (# 3011:20 Preassigned 2.25, 4.68 A)
&rst
ixpk= 3011, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 97, 98, 99, 101, 102, 103,
igr2=1020,1021,1022,
&end
#
# 0 AMB 20-2:3012 5 ILE QG2 5.50 (# 3012:20 Single Ambig )
&rst
ixpk= 3012, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 532,1205,
igr2= 75, 76, 77,
&end
#
# 32 VAL HA 5 ILE QG2 5.50 (# 3013:20 Preassigned 3.26, 4.33 A)
&rst
ixpk= 3013, nxpk= 20, iat= 518, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 75, 76, 77,
&end
#
# 79 ILE HA 5 ILE QG2 5.50 (# 3014:20 Preassigned 3.91, 5.09 A)
&rst
ixpk= 3014, nxpk= 20, iat=1207, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 75, 76, 77,
&end
#
# 23 LEU HB- 5 ILE QG2 5.50 (# 3015:20 Preassigned 3.51, 5.32 A)
&rst
ixpk= 3015, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 352, 353,
igr2= 75, 76, 77,
&end
#
# 78 LEU HB+ 5 ILE QG2 5.50 (# 3016:20 Preassigned 2.29, 4.66 A)
&rst
ixpk= 3016, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1190,1191,
igr2= 75, 76, 77,
&end
#
# 5 ILE HG1- 5 ILE QG2 4.00 (# 3017:20 Preassigned 2.27, 3.41 A)
&rst
ixpk= 3017, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1= 79, 80,
igr2= 75, 76, 77,
&end
#
# 5 ILE HN 5 ILE QG2 5.50 (# 3018:20 Preassigned 4.26, 4.58 A)
&rst
ixpk= 3018, nxpk= 20, iat= 69, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 75, 76, 77,
&end
#
# 80 LEU HN 5 ILE QG2 5.50 (# 3019:20 Preassigned 3.89, 4.81 A)
&rst
ixpk= 3019, nxpk= 20, iat=1224, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 75, 76, 77,
&end
#
# 6 LEU HN 5 ILE QG2 5.50 (# 3020:20 Preassigned 2.47, 3.29 A)
&rst
ixpk= 3020, nxpk= 20, iat= 88, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 75, 76, 77,
&end
#
# 78 LEU HN 5 ILE QG2 5.50 (# 3021:20 Preassigned 4.32, 5.56 A)
&rst
ixpk= 3021, nxpk= 20, iat=1186, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 75, 76, 77,
&end
#
# 5 ILE HA 5 ILE QG2 4.00 (# 3022:20 Preassigned 2.48, 3.20 A)
&rst
ixpk= 3022, nxpk= 20, iat= 71, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2= 75, 76, 77,
&end
#
# 5 ILE HB 5 ILE QG2 4.00 (# 3023:20 Preassigned 2.43, 2.69 A)
&rst
ixpk= 3023, nxpk= 20, iat= 73, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2= 75, 76, 77,
&end
#
# 80 LEU HB+ 5 ILE QG2 5.50 (# 3024:20 Preassigned 4.28, 5.94 A)
&rst
ixpk= 3024, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1228,1229,
igr2= 75, 76, 77,
&end
#
# 5 ILE HG1+ 5 ILE QG2 4.00 (# 3025:20 Preassigned 2.27, 3.41 A)
&rst
ixpk= 3025, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1= 79, 80,
igr2= 75, 76, 77,
&end
#
# 0 AMB 20-2:3026 5 ILE QG2 4.00 (# 3026:20 Single Ambig )
&rst
ixpk= 3026, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.27, r4= 8.02,
igr1= 522, 523, 524, 526, 527, 528, 357, 358, 359, 361,
362, 363,
igr2= 75, 76, 77,
&end
#
# 23 LEU MDX 5 ILE QG2 4.00 (# 3027:20 Preassigned 2.43, 5.31 A)
&rst
ixpk= 3027, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.48, r4= 7.23,
igr1= 357, 358, 359, 361, 362, 363,
igr2= 75, 76, 77,
&end
#
# 32 VAL MGY 5 ILE QG2 4.00 (# 3028:20 Preassigned 2.12, 4.62 A)
&rst
ixpk= 3028, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.48, r4= 7.23,
igr1= 522, 523, 524, 526, 527, 528,
igr2= 75, 76, 77,
&end
#
# 5 ILE QD1 5 ILE QG2 2.80 (# 3029:20 Preassigned 2.20, 4.03 A)
&rst
ixpk= 3029, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 82, 83, 84,
igr2= 75, 76, 77,
&end
#
# 78 LEU MDX 5 ILE QG2 5.50 (# 3030:20 Preassigned 2.36, 5.66 A)
&rst
ixpk= 3030, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1195,1196,1197,1199,1200,1201,
igr2= 75, 76, 77,
&end
#
# 80 LEU MDY 5 ILE QG2 5.50 (# 3031:20 Preassigned 2.23, 5.16 A)
&rst
ixpk= 3031, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1233,1234,1235,1237,1238,1239,
igr2= 75, 76, 77,
&end
#
# 80 LEU MDX 5 ILE QG2 4.00 (# 3033:20 Preassigned 2.23, 5.16 A)
&rst
ixpk= 3033, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.48, r4= 7.23,
igr1=1233,1234,1235,1237,1238,1239,
igr2= 75, 76, 77,
&end
#
# 73 CYS HN 93 MET ME 6.00 (# 3034:20 Preassigned 5.53, 7.38 A)
&rst
ixpk= 3034, nxpk= 20, iat=1104, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2=1466,1467,1468,
&end
#
# 68 ILE HN 93 MET ME 6.00 (# 3035:20 Preassigned 4.35, 6.05 A)
&rst
ixpk= 3035, nxpk= 20, iat=1007, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2=1466,1467,1468,
&end
#
# 94 ALA HN 93 MET ME 5.50 (# 3036:20 Preassigned 4.89, 6.46 A)
&rst
ixpk= 3036, nxpk= 20, iat=1472, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1466,1467,1468,
&end
#
# 93 MET HN 93 MET ME 5.50 (# 3037:20 Preassigned 3.94, 5.77 A)
&rst
ixpk= 3037, nxpk= 20, iat=1455, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1466,1467,1468,
&end
#
# 67 GLN HE2- 93 MET ME 5.50 (# 3038:20 Preassigned 2.22, 5.23 A)
&rst
ixpk= 3038, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1002,1003,
igr2=1466,1467,1468,
&end
#
# 47 PRO HA 50 ILE QG2 4.00 (# 3040:20 Preassigned 3.87, 4.64 A)
&rst
ixpk= 3040, nxpk= 20, iat= 714, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2= 748, 749, 750,
&end
#
# 51 SER HB- 50 ILE QG2 6.00 (# 3042:20 Preassigned 5.27, 6.70 A)
&rst
ixpk= 3042, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 765, 766,
igr2= 748, 749, 750,
&end
#
# 0 AMB 20-2:3043 50 ILE QG2 5.50 (# 3043:20 Single Ambig )
&rst
ixpk= 3043, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 913, 914, 913, 914,
igr2= 748, 749, 750,
&end
#
# 61 GLU HB+ 50 ILE QG2 6.00 (# 3044:20 Unique 2.72, 7.50 A)
&rst
ixpk= 3044, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 910, 911,
igr2= 748, 749, 750,
&end
#
# 0 AMB 20-2:3045 50 ILE QG2 4.00 (# 3045:20 Single Ambig )
&rst
ixpk= 3045, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.28, r4= 7.03,
igr1= 802, 803, 804, 891, 892,
igr2= 748, 749, 750,
&end
#
# 50 ILE HN 50 ILE QG2 5.50 (# 3047:20 Preassigned 4.30, 4.58 A)
&rst
ixpk= 3047, nxpk= 20, iat= 742, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 748, 749, 750,
&end
#
# 53 ALA HN 50 ILE QG2 5.50 (# 3048:20 Preassigned 5.59, 6.37 A)
&rst
ixpk= 3048, nxpk= 20, iat= 788, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 748, 749, 750,
&end
#
# 51 SER HN 50 ILE QG2 5.50 (# 3049:20 Preassigned 3.21, 4.31 A)
&rst
ixpk= 3049, nxpk= 20, iat= 761, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 748, 749, 750,
&end
#
# 50 ILE HA 50 ILE QG2 4.00 (# 3050:20 Preassigned 2.57, 3.23 A)
&rst
ixpk= 3050, nxpk= 20, iat= 744, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2= 748, 749, 750,
&end
#
# 50 ILE HB 50 ILE QG2 4.00 (# 3051:20 Preassigned 2.46, 2.67 A)
&rst
ixpk= 3051, nxpk= 20, iat= 746, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2= 748, 749, 750,
&end
#
# 49 ALA MB 50 ILE QG2 5.50 (# 3052:20 Preassigned 6.28, 7.42 A)
&rst
ixpk= 3052, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 736, 737, 738,
igr2= 748, 749, 750,
&end
#
# 50 ILE HG1+ 50 ILE QG2 4.00 (# 3053:20 Preassigned 2.47, 3.52 A)
&rst
ixpk= 3053, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1= 752, 753,
igr2= 748, 749, 750,
&end
#
# 0 AMB 20-2:3054 50 ILE QG2 5.50 (# 3054:20 Single Ambig )
&rst
ixpk= 3054, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 896, 897, 898, 900, 901, 902, 896, 897, 898, 900,
901, 902,
igr2= 748, 749, 750,
&end
#
# 72 LEU HB+ 68 ILE QD1 5.50 (# 3055:20 Preassigned 2.27, 3.98 A)
&rst
ixpk= 3055, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1089,1090,
igr2=1020,1021,1022,
&end
#
# 90 LEU HG 68 ILE QD1 5.50 (# 3056:20 Preassigned 2.95, 5.29 A)
&rst
ixpk= 3056, nxpk= 20, iat=1417, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1020,1021,1022,
&end
#
# 72 LEU HB+ 68 ILE QD1 5.50 (# 3057:20 Preassigned 2.27, 3.98 A)
&rst
ixpk= 3057, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1089,1090,
igr2=1020,1021,1022,
&end
#
# 8 VAL MGY 68 ILE QD1 4.00 (# 3058:20 Preassigned 2.17, 4.12 A)
&rst
ixpk= 3058, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.48, r4= 7.23,
igr1= 129, 130, 131, 133, 134, 135,
igr2=1020,1021,1022,
&end
#
# 6 LEU MDX 68 ILE QD1 4.00 (# 3059:20 Preassigned 2.25, 4.68 A)
&rst
ixpk= 3059, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.48, r4= 7.23,
igr1= 97, 98, 99, 101, 102, 103,
igr2=1020,1021,1022,
&end
#
# 74 ARG HN 97 MET ME 7.00 (# 3061:20 Preassigned 4.70, 6.35 A)
&rst
ixpk= 3061, nxpk= 20, iat=1115, -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr2=1522,1523,1524,
&end
#
# 74 ARG HA 97 MET ME 5.50 (# 3062:20 Preassigned 2.61, 4.94 A)
&rst
ixpk= 3062, nxpk= 20, iat=1117, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1522,1523,1524,
&end
#
# 79 ILE HN 97 MET ME 7.00 (# 3063:20 Preassigned 4.19, 5.59 A)
&rst
ixpk= 3063, nxpk= 20, iat=1205, -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr2=1522,1523,1524,
&end
#
# 0 AMB 20-2:3064 97 MET ME 5.50 (# 3064:20 Single Ambig )
&rst
ixpk= 3064, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1559,1511,
igr2=1522,1523,1524,
&end
#
# 76 TYR HN 97 MET ME 5.50 (# 3065:20 Preassigned 4.16, 5.58 A)
&rst
ixpk= 3065, nxpk= 20, iat=1153, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1522,1523,1524,
&end
#
# 97 MET HA 97 MET ME 5.50 (# 3066:20 Preassigned 2.28, 4.25 A)
&rst
ixpk= 3066, nxpk= 20, iat=1513, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1522,1523,1524,
&end
#
# 78 LEU HA 97 MET ME 5.50 (# 3067:20 Preassigned 3.42, 5.23 A)
&rst
ixpk= 3067, nxpk= 20, iat=1188, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1522,1523,1524,
&end
#
# 60 LEU HB+ 50 ILE QG2 5.50 (# 3068:20 Preassigned 3.24, 5.78 A)
&rst
ixpk= 3068, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 891, 892,
igr2= 748, 749, 750,
&end
#
# 45 ALA MB 50 ILE QG2 5.50 (# 3069:20 Preassigned 5.16, 6.58 A)
&rst
ixpk= 3069, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 686, 687, 688,
igr2= 748, 749, 750,
&end
#
# 103 LEU HB+ 87 ILE QG2 5.50 (# 3071:20 Unique 2.21, 6.34 A)
&rst
ixpk= 3071, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1618,1619,
igr2=1358,1359,1360,
&end
#
# 102 MET HA 87 ILE QG2 6.00 (# 3072:20 Preassigned 4.11, 5.49 A)
&rst
ixpk= 3072, nxpk= 20, iat=1599, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2=1358,1359,1360,
&end
#
# 88 GLU HA 87 ILE QG2 5.50 (# 3073:20 Preassigned 3.50, 4.77 A)
&rst
ixpk= 3073, nxpk= 20, iat=1373, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1358,1359,1360,
&end
#
# 84 LYS HA 87 ILE QG2 6.00 (# 3074:20 Preassigned 2.07, 4.83 A)
&rst
ixpk= 3074, nxpk= 20, iat=1291, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2=1358,1359,1360,
&end
#
# 88 GLU HG+ 87 ILE QG2 5.50 (# 3075:20 Preassigned 3.90, 6.35 A)
&rst
ixpk= 3075, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1378,1379,
igr2=1358,1359,1360,
&end
#
# 87 ILE HB 87 ILE QG2 4.00 (# 3076:20 Preassigned 2.33, 2.64 A)
&rst
ixpk= 3076, nxpk= 20, iat=1356, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2=1358,1359,1360,
&end
#
# 0 AMB 20-2:3077 87 ILE QG2 7.00 (# 3077:20 Single Ambig )
&rst
ixpk= 3077, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1=1375,1376,1375,1376,
igr2=1358,1359,1360,
&end
#
# 101 VAL HB 87 ILE QG2 5.50 (# 3078:20 Preassigned 3.55, 5.26 A)
&rst
ixpk= 3078, nxpk= 20, iat=1585, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1358,1359,1360,
&end
#
# 87 ILE HN 87 ILE QG2 5.50 (# 3081:20 Preassigned 1.80, 4.49 A)
&rst
ixpk= 3081, nxpk= 20, iat=1352, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1358,1359,1360,
&end
#
# 88 GLU HN 87 ILE QG2 5.50 (# 3082:20 Preassigned 3.24, 4.34 A)
&rst
ixpk= 3082, nxpk= 20, iat=1371, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1358,1359,1360,
&end
#
# 87 ILE HA 87 ILE QG2 4.00 (# 3084:20 Preassigned 2.47, 3.20 A)
&rst
ixpk= 3084, nxpk= 20, iat=1354, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2=1358,1359,1360,
&end
#
# 87 ILE HG1+ 87 ILE QG2 5.50 (# 3085:20 Preassigned 2.41, 3.54 A)
&rst
ixpk= 3085, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1362,1363,
igr2=1358,1359,1360,
&end
#
# 103 LEU MDY 87 ILE QG2 5.50 (# 3086:20 Preassigned 2.87, 7.18 A)
&rst
ixpk= 3086, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1623,1624,1625,1627,1628,1629,
igr2=1358,1359,1360,
&end
#
# 103 LEU HN 102 MET ME 5.50 (# 3087:20 Preassigned 4.29, 6.33 A)
&rst
ixpk= 3087, nxpk= 20, iat=1614, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1608,1609,1610,
&end
#
# 100 LYS HA 102 MET ME 5.50 (# 3088:20 Preassigned 2.50, 4.83 A)
&rst
ixpk= 3088, nxpk= 20, iat=1561, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1608,1609,1610,
&end
#
# 102 MET HN 102 MET ME 7.00 (# 3089:20 Preassigned 4.49, 5.47 A)
&rst
ixpk= 3089, nxpk= 20, iat=1597, -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr2=1608,1609,1610,
&end
#
# 138 TRP HZ2 102 MET ME 4.00 (# 3091:20 Preassigned 3.26, 4.88 A)
&rst
ixpk= 3091, nxpk= 20, iat=2201, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2=1608,1609,1610,
&end
#
# 138 TRP HZ3 102 MET ME 5.50 (# 3093:20 Unique 2.56, 3.60 A)
&rst
ixpk= 3093, nxpk= 20, iat=2205, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1608,1609,1610,
&end
#
# 101 VAL HN 102 MET ME 7.00 (# 3094:20 Preassigned 5.07, 6.68 A)
&rst
ixpk= 3094, nxpk= 20, iat=1581, -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr2=1608,1609,1610,
&end
#
# 102 MET HA 102 MET ME 5.50 (# 3096:20 Preassigned 3.49, 5.52 A)
&rst
ixpk= 3096, nxpk= 20, iat=1599, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1608,1609,1610,
&end
#
# 106 HIS HB- 102 MET ME 5.50 (# 3097:20 Preassigned 5.90, 7.26 A)
&rst
ixpk= 3097, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1664,1665,
igr2=1608,1609,1610,
&end
#
# 73 CYS HB- 79 ILE QD1 6.00 (# 3117:20 Preassigned 3.56, 5.83 A)
&rst
ixpk= 3117, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1108,1109,
igr2=1218,1219,1220,
&end
#
# 73 CYS HB+ 79 ILE QD1 5.50 (# 3118:20 Preassigned 3.56, 5.83 A)
&rst
ixpk= 3118, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1108,1109,
igr2=1218,1219,1220,
&end
#
# 73 CYS HA 79 ILE QD1 5.50 (# 3119:20 Preassigned 2.75, 4.01 A)
&rst
ixpk= 3119, nxpk= 20, iat=1106, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1218,1219,1220,
&end
#
# 97 MET ME 79 ILE QD1 4.00 (# 3120:20 Preassigned 2.22, 3.86 A)
&rst
ixpk= 3120, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
igr1=1522,1523,1524,
igr2=1218,1219,1220,
&end
#
# 79 ILE HN 79 ILE QD1 5.50 (# 3121:20 Preassigned 2.69, 4.21 A)
&rst
ixpk= 3121, nxpk= 20, iat=1205, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1218,1219,1220,
&end
#
# 76 TYR HD 79 ILE QD1 5.50 (# 3123:20 Preassigned 3.88, 5.52 A)
&rst
ixpk= 3123, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1161,1170,
igr2=1218,1219,1220,
&end
#
# 79 ILE HA 79 ILE QD1 5.50 (# 3124:20 Preassigned 2.32, 3.77 A)
&rst
ixpk= 3124, nxpk= 20, iat=1207, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1218,1219,1220,
&end
#
# 79 ILE HG1+ 79 ILE QD1 4.00 (# 3126:20 Preassigned 2.28, 2.63 A)
&rst
ixpk= 3126, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1=1215,1216,
igr2=1218,1219,1220,
&end
#
# 78 LEU HB- 79 ILE QD1 5.50 (# 3128:20 Preassigned 4.71, 6.31 A)
&rst
ixpk= 3128, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1190,1191,
igr2=1218,1219,1220,
&end
#
# 80 LEU HN 79 ILE QD1 5.50 (# 3129:20 Preassigned 4.48, 5.97 A)
&rst
ixpk= 3129, nxpk= 20, iat=1224, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1218,1219,1220,
&end
#
# 0 AMB 20-2:3130 79 ILE QD1 4.00 (# 3130:20 Single Ambig )
&rst
ixpk= 3130, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1=1157,1158,1518,1519,
igr2=1218,1219,1220,
&end
#
# 97 MET HB- 79 ILE QD1 5.50 (# 3131:20 Preassigned 3.48, 5.89 A)
&rst
ixpk= 3131, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1515,1516,
igr2=1218,1219,1220,
&end
#
# 79 ILE HB 79 ILE QD1 4.00 (# 3132:20 Preassigned 2.54, 3.51 A)
&rst
ixpk= 3132, nxpk= 20, iat=1209, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2=1218,1219,1220,
&end
#
# 79 ILE QG2 79 ILE QD1 4.00 (# 3133:20 Preassigned 2.32, 4.16 A)
&rst
ixpk= 3133, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
igr1=1211,1212,1213,
igr2=1218,1219,1220,
&end
#
# 6 LEU MDX 79 ILE QD1 5.50 (# 3134:20 Preassigned 2.28, 5.66 A)
&rst
ixpk= 3134, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 97, 98, 99, 101, 102, 103,
igr2=1218,1219,1220,
&end
#
# 0 AMB 20-2:3135 79 ILE QD1 7.00 (# 3135:20 Single Ambig )
&rst
ixpk= 3135, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1=1155, 90,
igr2=1218,1219,1220,
&end
#
# 97 MET HG+ 79 ILE QD1 5.50 (# 3136:20 Preassigned 2.59, 5.57 A)
&rst
ixpk= 3136, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1518,1519,
igr2=1218,1219,1220,
&end
#
# 5 ILE QG2 79 ILE QD1 5.50 (# 3137:20 Unique 5.23, 7.71 A)
&rst
ixpk= 3137, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 75, 76, 77,
igr2=1218,1219,1220,
&end
#
# 0 AMB 20-2:3138 79 ILE QD1 5.50 (# 3138:20 Single Ambig )
&rst
ixpk= 3138, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1157,1158,1518,1519,
igr2=1218,1219,1220,
&end
#
# 87 ILE HA 87 ILE QD1 4.00 (# 3145:20 Preassigned 2.18, 3.20 A)
&rst
ixpk= 3145, nxpk= 20, iat=1354, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2=1365,1366,1367,
&end
#
# 6 LEU HB- 79 ILE QD1 2.80 (# 3146:20 Preassigned 2.28, 3.91 A)
&rst
ixpk= 3146, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 92, 93,
igr2=1218,1219,1220,
&end
#
# 5 ILE HN 5 ILE QD1 7.00 (# 3148:20 Preassigned 2.27, 4.25 A)
&rst
ixpk= 3148, nxpk= 20, iat= 69, -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr2= 82, 83, 84,
&end
#
# 80 LEU MDX 5 ILE QD1 6.00 (# 3149:20 Preassigned 3.80, 7.47 A)
&rst
ixpk= 3149, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.71, r4=10.46,
igr1=1233,1234,1235,1237,1238,1239,
igr2= 82, 83, 84,
&end
#
# 103 LEU HB+ 87 ILE QD1 4.00 (# 3150:20 Preassigned 2.18, 4.20 A)
&rst
ixpk= 3150, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1=1618,1619,
igr2=1365,1366,1367,
&end
#
# 103 LEU HA 87 ILE QD1 5.50 (# 3151:20 Preassigned 2.29, 3.78 A)
&rst
ixpk= 3151, nxpk= 20, iat=1616, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1365,1366,1367,
&end
#
# 6 LEU HN 5 ILE QD1 5.50 (# 3153:20 Preassigned 4.56, 5.88 A)
&rst
ixpk= 3153, nxpk= 20, iat= 88, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 82, 83, 84,
&end
#
# 80 LEU MDX 5 ILE QD1 5.50 (# 3156:20 Preassigned 3.80, 7.47 A)
&rst
ixpk= 3156, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1233,1234,1235,1237,1238,1239,
igr2= 82, 83, 84,
&end
#
# 4 ASN HN 5 ILE QD1 5.50 (# 3157:20 Unique 2.04, 5.39 A)
&rst
ixpk= 3157, nxpk= 20, iat= 55, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 82, 83, 84,
&end
#
# 6 LEU HN 5 ILE QD1 5.50 (# 3158:20 Preassigned 4.56, 5.88 A)
&rst
ixpk= 3158, nxpk= 20, iat= 88, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 82, 83, 84,
&end
#
# 2 PHE HD 5 ILE QD1 5.50 (# 3159:20 Preassigned 2.33, 5.65 A)
&rst
ixpk= 3159, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 29, 37,
igr2= 82, 83, 84,
&end
#
# 2 PHE HA 5 ILE QD1 5.50 (# 3160:20 Preassigned 4.76, 6.11 A)
&rst
ixpk= 3160, nxpk= 20, iat= 23, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 82, 83, 84,
&end
#
# 0 AMB 20-2:3161 5 ILE QD1 7.00 (# 3161:20 Single Ambig )
&rst
ixpk= 3161, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 477,1188,
igr2= 82, 83, 84,
&end
#
# 2 PHE HB- 5 ILE QD1 5.50 (# 3162:20 Preassigned 2.43, 4.06 A)
&rst
ixpk= 3162, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 25, 26,
igr2= 82, 83, 84,
&end
#
# 2 PHE HB+ 5 ILE QD1 5.50 (# 3163:20 Preassigned 2.43, 4.06 A)
&rst
ixpk= 3163, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 25, 26,
igr2= 82, 83, 84,
&end
#
# 31 LYS HB- 5 ILE QD1 5.50 (# 3164:20 Preassigned 4.47, 7.23 A)
&rst
ixpk= 3164, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 498, 499,
igr2= 82, 83, 84,
&end
#
# 5 ILE HB 5 ILE QD1 4.00 (# 3165:20 Preassigned 2.54, 3.37 A)
&rst
ixpk= 3165, nxpk= 20, iat= 73, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2= 82, 83, 84,
&end
#
# 30 LEU HB- 5 ILE QD1 5.50 (# 3166:20 Preassigned 2.42, 4.96 A)
&rst
ixpk= 3166, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 479, 480,
igr2= 82, 83, 84,
&end
#
# 5 ILE HG1+ 5 ILE QD1 4.00 (# 3167:20 Unique 2.34, 2.64 A)
&rst
ixpk= 3167, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1= 79, 80,
igr2= 82, 83, 84,
&end
#
# 78 LEU HB+ 5 ILE QD1 5.50 (# 3168:20 Preassigned 2.28, 4.54 A)
&rst
ixpk= 3168, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1190,1191,
igr2= 82, 83, 84,
&end
#
# 0 AMB 20-2:3169 5 ILE QD1 2.80 (# 3169:20 Single Ambig )
&rst
ixpk= 3169, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1190,1191, 79, 80,
igr2= 82, 83, 84,
&end
#
# 0 AMB 20-2:3170 5 ILE QD1 2.80 (# 3170:20 Single Ambig )
&rst
ixpk= 3170, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=2258,2259,2260,2262,2263,2264, 522, 523, 524, 526,
527, 528,
igr2= 82, 83, 84,
&end
#
# 0 AMB 20-2:3171 5 ILE QD1 2.80 (# 3171:20 Single Ambig )
&rst
ixpk= 3171, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.85, r4= 5.60,
igr1= 75, 76, 77,1195,1196,1197,1199,1200,1201,
igr2= 82, 83, 84,
&end
#
# 5 ILE HN 5 ILE QD1 5.50 (# 3173:20 Preassigned 2.27, 4.25 A)
&rst
ixpk= 3173, nxpk= 20, iat= 69, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 82, 83, 84,
&end
#
# 78 LEU HN 5 ILE QD1 5.50 (# 3174:20 Preassigned 3.92, 6.13 A)
&rst
ixpk= 3174, nxpk= 20, iat=1186, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 82, 83, 84,
&end
#
# 87 ILE HN 87 ILE QD1 5.50 (# 3175:20 Preassigned 3.04, 4.15 A)
&rst
ixpk= 3175, nxpk= 20, iat=1352, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1365,1366,1367,
&end
#
# 88 GLU HN 87 ILE QD1 5.50 (# 3176:20 Preassigned 5.04, 5.79 A)
&rst
ixpk= 3176, nxpk= 20, iat=1371, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1365,1366,1367,
&end
#
# 102 MET HA 87 ILE QD1 5.50 (# 3177:20 Preassigned 2.27, 3.47 A)
&rst
ixpk= 3177, nxpk= 20, iat=1599, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1365,1366,1367,
&end
#
# 84 LYS HA 87 ILE QD1 4.00 (# 3178:20 Preassigned 4.21, 4.82 A)
&rst
ixpk= 3178, nxpk= 20, iat=1291, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2=1365,1366,1367,
&end
#
# 87 ILE HA 87 ILE QD1 5.50 (# 3180:20 Preassigned 2.18, 3.20 A)
&rst
ixpk= 3180, nxpk= 20, iat=1354, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1365,1366,1367,
&end
#
# 87 ILE HB 87 ILE QD1 4.00 (# 3181:20 Preassigned 2.38, 3.92 A)
&rst
ixpk= 3181, nxpk= 20, iat=1356, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2=1365,1366,1367,
&end
#
# 0 AMB 20-2:3182 87 ILE QD1 2.80 (# 3182:20 Single Ambig )
&rst
ixpk= 3182, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1618,1619,1362,1363,
igr2=1365,1366,1367,
&end
#
# 103 LEU MDY 87 ILE QD1 4.00 (# 3183:20 Preassigned 2.85, 5.47 A)
&rst
ixpk= 3183, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.48, r4= 7.23,
igr1=1623,1624,1625,1627,1628,1629,
igr2=1365,1366,1367,
&end
#
# 103 LEU HN 87 ILE QD1 5.50 (# 3184:20 Preassigned 3.12, 4.02 A)
&rst
ixpk= 3184, nxpk= 20, iat=1614, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1365,1366,1367,
&end
#
# 131 LEU HN 113 ILE QD1 5.50 (# 3185:20 Preassigned 3.09, 4.36 A)
&rst
ixpk= 3185, nxpk= 20, iat=2068, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1781,1782,1783,
&end
#
# 104 PHE HD 113 ILE QD1 4.00 (# 3186:20 Preassigned 2.47, 4.70 A)
&rst
ixpk= 3186, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1=1641,1649,
igr2=1781,1782,1783,
&end
#
# 114 PRO HD- 113 ILE QD1 5.50 (# 3188:20 Preassigned 4.81, 6.01 A)
&rst
ixpk= 3188, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1788,1789,
igr2=1781,1782,1783,
&end
#
# 113 ILE HG1- 113 ILE QD1 5.50 (# 3190:20 Preassigned 2.35, 2.65 A)
&rst
ixpk= 3190, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1778,1779,
igr2=1781,1782,1783,
&end
#
# 105 GLY HN 113 ILE QD1 6.00 (# 3191:20 Preassigned 3.39, 4.95 A)
&rst
ixpk= 3191, nxpk= 20, iat=1653, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2=1781,1782,1783,
&end
#
# 113 ILE HN 113 ILE QD1 5.50 (# 3192:20 Preassigned 4.22, 4.74 A)
&rst
ixpk= 3192, nxpk= 20, iat=1768, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1781,1782,1783,
&end
#
# 113 ILE HA 113 ILE QD1 5.50 (# 3195:20 Preassigned 4.06, 4.52 A)
&rst
ixpk= 3195, nxpk= 20, iat=1770, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1781,1782,1783,
&end
#
# 105 GLY HA- 113 ILE QD1 6.00 (# 3196:20 Preassigned 2.69, 5.26 A)
&rst
ixpk= 3196, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1655,1656,
igr2=1781,1782,1783,
&end
#
# 131 LEU HA 113 ILE QD1 5.50 (# 3197:20 Preassigned 2.53, 3.27 A)
&rst
ixpk= 3197, nxpk= 20, iat=2070, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1781,1782,1783,
&end
#
# 134 SER HB+ 113 ILE QD1 5.50 (# 3198:20 Preassigned 2.62, 4.19 A)
&rst
ixpk= 3198, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2130,2131,
igr2=1781,1782,1783,
&end
#
# 104 PHE HB+ 113 ILE QD1 6.00 (# 3199:20 Preassigned 2.17, 3.37 A)
&rst
ixpk= 3199, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1637,1638,
igr2=1781,1782,1783,
&end
#
# 130 LEU HB+ 113 ILE QD1 4.00 (# 3200:20 Preassigned 2.57, 5.32 A)
&rst
ixpk= 3200, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1=2053,2054,
igr2=1781,1782,1783,
&end
#
# 113 ILE HB 113 ILE QD1 4.00 (# 3201:20 Preassigned 2.63, 3.37 A)
&rst
ixpk= 3201, nxpk= 20, iat=1772, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2=1781,1782,1783,
&end
#
# 130 LEU HB- 113 ILE QD1 5.50 (# 3204:20 Preassigned 2.57, 5.32 A)
&rst
ixpk= 3204, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2053,2054,
igr2=1781,1782,1783,
&end
#
# 82 MET ME 113 ILE QD1 5.50 (# 3205:20 Preassigned 2.51, 4.97 A)
&rst
ixpk= 3205, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1268,1269,1270,
igr2=1781,1782,1783,
&end
#
# 131 LEU MDY 113 ILE QD1 2.80 (# 3206:20 Preassigned 2.31, 5.25 A)
&rst
ixpk= 3206, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=2077,2078,2079,2081,2082,2083,
igr2=1781,1782,1783,
&end
#
# 104 PHE HA 113 ILE QD1 5.50 (# 3207:20 Preassigned 4.56, 5.50 A)
&rst
ixpk= 3207, nxpk= 20, iat=1635, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1781,1782,1783,
&end
#
# 104 PHE HE 113 ILE QD1 6.00 (# 3208:20 Preassigned 4.68, 6.36 A)
&rst
ixpk= 3208, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1643,1647,
igr2=1781,1782,1783,
&end
#
# 8 VAL MGY 8 VAL HA 4.00 (# 3210:20 Preassigned 2.36, 3.18 A)
&rst
ixpk= 3210, nxpk= 20, iat= -1, 125, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1= 129, 130, 131, 133, 134, 135,
&end
#
# 32 VAL HN 32 VAL HA 5.50 (# 3212:20 Preassigned 2.88, 2.92 A)
&rst
ixpk= 3212, nxpk= 20, iat= 516, 518, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 78 LEU MDY 101 VAL HA 6.00 (# 3213:20 Preassigned 4.37, 6.70 A)
&rst
ixpk= 3213, nxpk= 20, iat= -1,1583, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1195,1196,1197,1199,1200,1201,
&end
#
# 0 AMB 20-2:3214 101 VAL HA 2.80 (# 3214:20 Single Ambig )
&rst
ixpk= 3214, nxpk= 20, iat= -1,1583, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1587,1588,1589,1591,1592,1593,1587,1588,1589,1591,
1592,1593,
&end
#
# 5 ILE HN 32 VAL HA 6.00 (# 3215:20 Preassigned 2.51, 2.95 A)
&rst
ixpk= 3215, nxpk= 20, iat= 69, 518, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 79 ILE QG2 101 VAL HA 5.50 (# 3217:20 Preassigned 2.94, 4.26 A)
&rst
ixpk= 3217, nxpk= 20, iat= -1,1583, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1211,1212,1213,
&end
#
# 101 VAL HN 101 VAL HA 5.50 (# 3218:20 Preassigned 2.89, 2.94 A)
&rst
ixpk= 3218, nxpk= 20, iat=1581,1583, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 79 ILE HB 101 VAL HA 5.50 (# 3219:20 Preassigned 2.09, 2.32 A)
&rst
ixpk= 3219, nxpk= 20, iat=1209,1583, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 102 MET HN 101 VAL HA 4.00 (# 3220:20 Preassigned 2.17, 2.24 A)
&rst
ixpk= 3220, nxpk= 20, iat=1597,1583, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 101 VAL HB 101 VAL HA 5.50 (# 3221:20 Preassigned 2.61, 3.03 A)
&rst
ixpk= 3221, nxpk= 20, iat=1585,1583, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:3222 0 AMB 20-1:3222 4.00 (# 3222:20 Double Ambig )
&rst
ixpk= 3222, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1= 532,1205,
igr2= 518,1583,
&end
#
# 32 VAL MGX 32 VAL HA 4.00 (# 3223:20 Unique 2.26, 3.26 A)
&rst
ixpk= 3223, nxpk= 20, iat= -1, 518, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1= 522, 523, 524, 526, 527, 528,
&end
#
# 32 VAL HB 32 VAL HA 5.50 (# 3224:20 Preassigned 2.36, 2.87 A)
&rst
ixpk= 3224, nxpk= 20, iat= 520, 518, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 79 ILE HB 79 ILE HA 5.50 (# 3234:20 Preassigned 3.01, 3.03 A)
&rst
ixpk= 3234, nxpk= 20, iat=1209,1207, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 6 LEU HN 79 ILE HA 5.50 (# 3235:20 Preassigned 2.64, 2.84 A)
&rst
ixpk= 3235, nxpk= 20, iat= 88,1207, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 79 ILE HG1+ 79 ILE HA 5.50 (# 3236:20 Preassigned 2.53, 3.40 A)
&rst
ixpk= 3236, nxpk= 20, iat= -1,1207, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1215,1216,
&end
#
# 80 LEU HN 79 ILE HA 4.00 (# 3237:20 Preassigned 2.24, 2.33 A)
&rst
ixpk= 3237, nxpk= 20, iat=1224,1207, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 79 ILE HG1- 79 ILE HA 5.50 (# 3238:20 Preassigned 2.53, 3.40 A)
&rst
ixpk= 3238, nxpk= 20, iat= -1,1207, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1215,1216,
&end
#
# 79 ILE QG2 79 ILE HA 4.00 (# 3239:20 Preassigned 2.37, 3.13 A)
&rst
ixpk= 3239, nxpk= 20, iat= -1,1207, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1=1211,1212,1213,
&end
#
# 0 AMB 20-2:3240 79 ILE HA 5.50 (# 3240:20 Single Ambig )
&rst
ixpk= 3240, nxpk= 20, iat= -1,1207, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1218,1219,1220, 129, 130, 131, 133, 134, 135,
&end
#
# 0 AMB 20-2:3243 34 SER HA 5.50 (# 3243:20 Single Ambig )
&rst
ixpk= 3243, nxpk= 20, iat= -1, 549, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 551, 552, 551, 552,
&end
#
# 7 VAL MGY 34 SER HA 5.50 (# 3244:20 Preassigned 2.24, 5.10 A)
&rst
ixpk= 3244, nxpk= 20, iat= -1, 549, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 113, 114, 115, 117, 118, 119,
&end
#
# 7 VAL HN 34 SER HA 4.00 (# 3245:20 Unique 1.89, 2.24 A)
&rst
ixpk= 3245, nxpk= 20, iat= 107, 549, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 0 AMB 20-2:3246 34 SER HA 5.50 (# 3246:20 Single Ambig )
&rst
ixpk= 3246, nxpk= 20, iat= -1, 549, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 90, 560,
&end
#
# 6 LEU MDY 34 SER HA 5.50 (# 3247:20 Preassigned 2.26, 4.65 A)
&rst
ixpk= 3247, nxpk= 20, iat= -1, 549, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 97, 98, 99, 101, 102, 103,
&end
#
# 35 ALA HN 34 SER HA 5.50 (# 3248:20 Preassigned 2.42, 2.54 A)
&rst
ixpk= 3248, nxpk= 20, iat= 558, 549, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 82 MET HN 82 MET HA 5.50 (# 3249:20 Preassigned 2.86, 2.95 A)
&rst
ixpk= 3249, nxpk= 20, iat=1257,1259, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 104 PHE HB+ 82 MET HA 6.00 (# 3251:20 Preassigned 2.06, 3.13 A)
&rst
ixpk= 3251, nxpk= 20, iat= -1,1259, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1637,1638,
&end
#
# 82 MET HG+ 82 MET HA 5.50 (# 3253:20 Preassigned 2.22, 3.06 A)
&rst
ixpk= 3253, nxpk= 20, iat= -1,1259, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1264,1265,
&end
#
# 113 ILE QD1 82 MET HA 5.50 (# 3254:20 Preassigned 3.45, 4.78 A)
&rst
ixpk= 3254, nxpk= 20, iat= -1,1259, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1781,1782,1783,
&end
#
# 82 MET HG- 82 MET HA 5.50 (# 3255:20 Preassigned 2.22, 3.06 A)
&rst
ixpk= 3255, nxpk= 20, iat= -1,1259, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1264,1265,
&end
#
# 27 HIS HB+ 27 HIS HA 5.50 (# 3257:20 Preassigned 2.39, 2.80 A)
&rst
ixpk= 3257, nxpk= 20, iat= -1, 431, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 433, 434,
&end
#
# 28 PRO HD+ 27 HIS HA 4.00 (# 3258:20 Preassigned 2.11, 2.54 A)
&rst
ixpk= 3258, nxpk= 20, iat= -1, 431, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 447, 448,
&end
#
# 27 HIS HN 27 HIS HA 5.50 (# 3259:20 Preassigned 2.92, 2.97 A)
&rst
ixpk= 3259, nxpk= 20, iat= 429, 431, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 28 PRO HD- 27 HIS HA 5.50 (# 3260:20 Preassigned 2.11, 2.54 A)
&rst
ixpk= 3260, nxpk= 20, iat= -1, 431, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 447, 448,
&end
#
# 27 HIS HB- 27 HIS HA 5.50 (# 3261:20 Preassigned 2.39, 2.80 A)
&rst
ixpk= 3261, nxpk= 20, iat= -1, 431, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 433, 434,
&end
#
# 30 LEU HB+ 27 HIS HA 5.50 (# 3263:20 Preassigned 4.34, 5.29 A)
&rst
ixpk= 3263, nxpk= 20, iat= -1, 431, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 479, 480,
&end
#
# 31 LYS HN 4 ASN HA 5.50 (# 3264:20 Preassigned 2.71, 3.79 A)
&rst
ixpk= 3264, nxpk= 20, iat= 494, 57, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 4 ASN HB- 4 ASN HA 5.50 (# 3265:20 Preassigned 2.41, 2.67 A)
&rst
ixpk= 3265, nxpk= 20, iat= -1, 57, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 59, 60,
&end
#
# 31 LYS HG- 4 ASN HA 5.50 (# 3266:20 Preassigned 2.20, 3.15 A)
&rst
ixpk= 3266, nxpk= 20, iat= -1, 57, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 501, 502,
&end
#
# 4 ASN HB+ 4 ASN HA 5.50 (# 3267:20 Preassigned 2.41, 2.67 A)
&rst
ixpk= 3267, nxpk= 20, iat= -1, 57, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 59, 60,
&end
#
# 31 LYS HB- 4 ASN HA 5.50 (# 3268:20 Preassigned 2.12, 3.49 A)
&rst
ixpk= 3268, nxpk= 20, iat= -1, 57, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 498, 499,
&end
#
# 31 LYS HB+ 4 ASN HA 5.50 (# 3269:20 Preassigned 2.12, 3.49 A)
&rst
ixpk= 3269, nxpk= 20, iat= -1, 57, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 498, 499,
&end
#
# 5 ILE QD1 4 ASN HA 5.50 (# 3270:20 Preassigned 3.45, 5.31 A)
&rst
ixpk= 3270, nxpk= 20, iat= -1, 57, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 82, 83, 84,
&end
#
# 5 ILE HN 4 ASN HA 2.80 (# 3271:20 Preassigned 2.10, 2.24 A)
&rst
ixpk= 3271, nxpk= 20, iat= 69, 57, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 4 ASN HN 4 ASN HA 5.50 (# 3272:20 Preassigned 2.89, 2.94 A)
&rst
ixpk= 3272, nxpk= 20, iat= 55, 57, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 4 ASN HB- 4 ASN HA 5.50 (# 3273:20 Preassigned 2.41, 2.67 A)
&rst
ixpk= 3273, nxpk= 20, iat= -1, 57, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 59, 60,
&end
#
# 81 THR HN 80 LEU HA 5.50 (# 3274:20 Preassigned 2.29, 2.36 A)
&rst
ixpk= 3274, nxpk= 20, iat=1243,1226, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 80 LEU HB+ 80 LEU HA 5.50 (# 3275:20 Preassigned 2.38, 2.73 A)
&rst
ixpk= 3275, nxpk= 20, iat= -1,1226, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1228,1229,
&end
#
# 0 AMB 20-2:3276 80 LEU HA 4.00 (# 3276:20 Single Ambig )
&rst
ixpk= 3276, nxpk= 20, iat= -1,1226, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1=1228,1229,1231,
&end
#
# 80 LEU MDY 80 LEU HA 4.00 (# 3277:20 Preassigned 2.20, 3.76 A)
&rst
ixpk= 3277, nxpk= 20, iat= -1,1226, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1=1233,1234,1235,1237,1238,1239,
&end
#
# 0 AMB 20-2:3278 80 LEU HA 5.50 (# 3278:20 Single Ambig )
&rst
ixpk= 3278, nxpk= 20, iat= -1,1226, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1597,1224,
&end
#
# 80 LEU MDX 80 LEU HA 5.50 (# 3279:20 Preassigned 2.20, 3.76 A)
&rst
ixpk= 3279, nxpk= 20, iat= -1,1226, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1233,1234,1235,1237,1238,1239,
&end
#
# 30 LEU MDX 27 HIS HA 6.00 (# 3282:20 Preassigned 4.07, 6.72 A)
&rst
ixpk= 3282, nxpk= 20, iat= -1, 431, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 484, 485, 486, 488, 489, 490,
&end
#
# 6 LEU HB- 79 ILE HA 6.00 (# 3284:20 Preassigned 2.29, 3.43 A)
&rst
ixpk= 3284, nxpk= 20, iat= -1,1207, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 92, 93,
&end
#
# 30 LEU MDX 3 ASN HA 6.00 (# 3285:20 Preassigned 2.21, 5.10 A)
&rst
ixpk= 3285, nxpk= 20, iat= -1, 43, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 484, 485, 486, 488, 489, 490,
&end
#
# 30 LEU MDY 3 ASN HA 4.00 (# 3286:20 Preassigned 2.21, 5.10 A)
&rst
ixpk= 3286, nxpk= 20, iat= -1, 43, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1= 484, 485, 486, 488, 489, 490,
&end
#
# 0 AMB 20-2:3287 3 ASN HA 5.50 (# 3287:20 Single Ambig )
&rst
ixpk= 3287, nxpk= 20, iat= -1, 43, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 45, 46, 45, 46,
&end
#
# 108 ASP HB- 108 ASP HA 5.50 (# 3288:20 Preassigned 2.43, 2.78 A)
&rst
ixpk= 3288, nxpk= 20, iat= -1,1703, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1705,1706,
&end
#
# 108 ASP HB+ 108 ASP HA 4.00 (# 3289:20 Preassigned 2.43, 2.78 A)
&rst
ixpk= 3289, nxpk= 20, iat= -1,1703, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1705,1706,
&end
#
# 109 ASN HB- 108 ASP HA 5.50 (# 3290:20 Preassigned 3.94, 4.49 A)
&rst
ixpk= 3290, nxpk= 20, iat= -1,1703, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1717,1718,
&end
#
# 109 ASN HA 108 ASP HA 5.50 (# 3291:20 Preassigned 4.46, 4.70 A)
&rst
ixpk= 3291, nxpk= 20, iat=1715,1703, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 7 VAL MGX 7 VAL HA 5.50 (# 3292:20 Preassigned 2.33, 3.16 A)
&rst
ixpk= 3292, nxpk= 20, iat= -1, 109, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 113, 114, 115, 117, 118, 119,
&end
#
# 7 VAL MGY 7 VAL HA 4.00 (# 3293:20 Preassigned 2.33, 3.16 A)
&rst
ixpk= 3293, nxpk= 20, iat= -1, 109, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1= 113, 114, 115, 117, 118, 119,
&end
#
# 8 VAL MGX 7 VAL HA 5.50 (# 3294:20 Preassigned 3.10, 5.46 A)
&rst
ixpk= 3294, nxpk= 20, iat= -1, 109, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 129, 130, 131, 133, 134, 135,
&end
#
# 80 LEU HB- 7 VAL HA 5.50 (# 3295:20 Preassigned 2.16, 3.95 A)
&rst
ixpk= 3295, nxpk= 20, iat= -1, 109, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1228,1229,
&end
#
# 7 VAL HB 7 VAL HA 5.50 (# 3296:20 Preassigned 2.38, 3.01 A)
&rst
ixpk= 3296, nxpk= 20, iat= 111, 109, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:3300 28 PRO HA 7.00 (# 3300:20 Single Ambig )
&rst
ixpk= 3300, nxpk= 20, iat= -1, 456, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 374, 375, 374, 375,
&end
#
# 0 AMB 20-2:3301 113 ILE HA 2.80 (# 3301:20 Single Ambig )
&rst
ixpk= 3301, nxpk= 20, iat= -1,1770, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1=2058,2059,2060,2062,2063,2064,1774,1775,1776,
&end
#
# 113 ILE HB 113 ILE HA 4.00 (# 3303:20 Preassigned 3.01, 3.03 A)
&rst
ixpk= 3303, nxpk= 20, iat=1772,1770, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 114 PRO HD+ 113 ILE HA 5.50 (# 3304:20 Preassigned 2.07, 2.38 A)
&rst
ixpk= 3304, nxpk= 20, iat= -1,1770, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1788,1789,
&end
#
# 114 PRO HD- 113 ILE HA 4.00 (# 3305:20 Preassigned 2.07, 2.38 A)
&rst
ixpk= 3305, nxpk= 20, iat= -1,1770, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1788,1789,
&end
#
# 137 GLN HB+ 134 SER HA 6.00 (# 3312:20 Preassigned 2.10, 3.06 A)
&rst
ixpk= 3312, nxpk= 20, iat= -1,2128, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=2175,2176,
&end
#
# 137 GLN HB- 134 SER HA 5.50 (# 3313:20 Preassigned 2.10, 3.06 A)
&rst
ixpk= 3313, nxpk= 20, iat= -1,2128, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2175,2176,
&end
#
# 134 SER HB+ 134 SER HA 5.50 (# 3314:20 Preassigned 2.38, 2.73 A)
&rst
ixpk= 3314, nxpk= 20, iat= -1,2128, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2130,2131,
&end
#
# 130 LEU MDY 129 THR HB 5.50 (# 3316:20 Preassigned 5.17, 6.89 A)
&rst
ixpk= 3316, nxpk= 20, iat= -1,2039, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2058,2059,2060,2062,2063,2064,
&end
#
# 111 CYS HB+ 105 GLY HA- 6.00 (# 3319:20 Preassigned 2.18, 5.07 A)
&rst
ixpk= 3319, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1746,1747,
igr2=1655,1656,
&end
#
# 86 HIS HB+ 81 THR HB 6.00 (# 3320:20 Preassigned 2.04, 3.65 A)
&rst
ixpk= 3320, nxpk= 20, iat= -1,1247, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1339,1340,
&end
#
# 123 THR HB 123 THR HA 5.50 (# 3321:20 Preassigned 2.97, 3.02 A)
&rst
ixpk= 3321, nxpk= 20, iat=1948,1946, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 116 PRO HB- 116 PRO HA 5.50 (# 3322:20 Preassigned 2.33, 2.53 A)
&rst
ixpk= 3322, nxpk= 20, iat= -1,1823, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1820,1821,
&end
#
# 127 VAL MGY 116 PRO HA 5.50 (# 3323:20 Preassigned 3.35, 5.26 A)
&rst
ixpk= 3323, nxpk= 20, iat= -1,1823, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2004,2005,2006,2008,2009,2010,
&end
#
# 119 LYS HG- 116 PRO HA 6.00 (# 3324:20 Preassigned 2.23, 4.28 A)
&rst
ixpk= 3324, nxpk= 20, iat= -1,1823, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1879,1880,
&end
#
# 119 LYS HG+ 116 PRO HA 6.00 (# 3325:20 Preassigned 2.23, 4.28 A)
&rst
ixpk= 3325, nxpk= 20, iat= -1,1823, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1879,1880,
&end
#
# 119 LYS HD- 116 PRO HA 5.50 (# 3326:20 Preassigned 2.29, 4.44 A)
&rst
ixpk= 3326, nxpk= 20, iat= -1,1823, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1882,1883,
&end
#
# 116 PRO HG+ 116 PRO HA 6.00 (# 3327:20 Unique 2.83, 3.95 A)
&rst
ixpk= 3327, nxpk= 20, iat= -1,1823, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1817,1818,
&end
#
# 0 AMB 20-2:3328 116 PRO HA 5.50 (# 3328:20 Single Ambig )
&rst
ixpk= 3328, nxpk= 20, iat= -1,1823, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1876,1877,1876,1877,
&end
#
# 123 THR MG2 116 PRO HA 4.00 (# 3331:20 Preassigned 2.31, 3.60 A)
&rst
ixpk= 3331, nxpk= 20, iat= -1,1823, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1=1950,1951,1952,
&end
#
# 98 ARG HD- 98 ARG HA 7.00 (# 3332:20 Preassigned 3.94, 4.57 A)
&rst
ixpk= 3332, nxpk= 20, iat= -1,1530, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1538,1539,
&end
#
# 0 AMB 20-2:3333 17 PRO HA 5.50 (# 3333:20 Single Ambig )
&rst
ixpk= 3333, nxpk= 20, iat= -1, 262, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 551, 552, 551, 552,
&end
#
# 0 AMB 20-2:3334 53 ALA HA 7.00 (# 3334:20 Single Ambig )
&rst
ixpk= 3334, nxpk= 20, iat= -1, 790, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 896, 897, 898, 900, 901, 902, 896, 897, 898, 900,
901, 902,
&end
#
# 52 VAL MGX 53 ALA HA 5.50 (# 3335:20 Preassigned 3.40, 5.65 A)
&rst
ixpk= 3335, nxpk= 20, iat= -1, 790, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 778, 779, 780, 782, 783, 784,
&end
#
# 58 LEU HB- 53 ALA HA 6.00 (# 3336:20 Preassigned 3.02, 4.11 A)
&rst
ixpk= 3336, nxpk= 20, iat= -1, 790, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 861, 862,
&end
#
# 58 LEU HB+ 53 ALA HA 5.50 (# 3337:20 Preassigned 3.02, 4.11 A)
&rst
ixpk= 3337, nxpk= 20, iat= -1, 790, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 861, 862,
&end
#
# 142 LEU MDX 139 ALA HA 5.50 (# 3338:20 Preassigned 2.27, 4.70 A)
&rst
ixpk= 3338, nxpk= 20, iat= -1,2214, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2258,2259,2260,2262,2263,2264,
&end
#
# 142 LEU MDY 139 ALA HA 5.50 (# 3339:20 Preassigned 2.27, 4.70 A)
&rst
ixpk= 3339, nxpk= 20, iat= -1,2214, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2258,2259,2260,2262,2263,2264,
&end
#
# 0 AMB 20-2:3340 121 ARG HA 5.50 (# 3340:20 Single Ambig )
&rst
ixpk= 3340, nxpk= 20, iat= -1,1907, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1896,1898,1899,
&end
#
# 121 ARG HD+ 121 ARG HA 5.50 (# 3341:20 Preassigned 3.51, 4.56 A)
&rst
ixpk= 3341, nxpk= 20, iat= -1,1907, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1915,1916,
&end
#
# 0 AMB 20-2:3346 114 PRO HD- 4.00 (# 3346:20 Single Ambig )
&rst
ixpk= 3346, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1=1791,1792,2056,
igr2=1788,1789,
&end
#
# 0 AMB 20-2:3351 42 GLY HA- 6.00 (# 3351:20 Single Ambig )
&rst
ixpk= 3351, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.81, r4= 9.56,
igr1= 960, 961, 962, 660, 661,
igr2= 648, 649,
&end
#
# 34 SER HA 0 AMB 20-1:3352 5.50 (# 3352:20 Single Ambig )
&rst
ixpk= 3352, nxpk= 20, iat= 549, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 551, 552, 551, 552,
&end
#
# 37 LEU MDX 89 ARG HD- 6.00 (# 3354:20 Preassigned 2.45, 5.81 A)
&rst
ixpk= 3354, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 584, 585, 586, 588, 589, 590,
igr2=1396,1397,
&end
#
# 37 LEU MDY 89 ARG HD- 6.00 (# 3355:20 Preassigned 2.45, 5.81 A)
&rst
ixpk= 3355, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 584, 585, 586, 588, 589, 590,
igr2=1396,1397,
&end
#
# 95 PRO HA 95 PRO HD+ 5.50 (# 3356:20 Preassigned 3.41, 3.76 A)
&rst
ixpk= 3356, nxpk= 20, iat=1492, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1483,1484,
&end
#
# 93 MET HA 95 PRO HD+ 6.00 (# 3357:20 Preassigned 3.98, 4.85 A)
&rst
ixpk= 3357, nxpk= 20, iat=1457, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1483,1484,
&end
#
# 130 LEU MDY 111 CYS HB- 6.00 (# 3359:20 Preassigned 2.78, 6.19 A)
&rst
ixpk= 3359, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=2058,2059,2060,2062,2063,2064,
igr2=1746,1747,
&end
#
# 17 PRO HB- 17 PRO HD- 7.00 (# 3361:20 Unique 2.78, 3.75 A)
&rst
ixpk= 3361, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 259, 260,
igr2= 253, 254,
&end
#
# 45 ALA MB 63 HIS HB+ 5.50 (# 3363:20 Preassigned 2.17, 4.10 A)
&rst
ixpk= 3363, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 686, 687, 688,
igr2= 932, 933,
&end
#
# 63 HIS HA 63 HIS HB+ 5.50 (# 3364:20 Preassigned 2.45, 2.79 A)
&rst
ixpk= 3364, nxpk= 20, iat= 930, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 932, 933,
&end
#
# 40 LEU HA 41 VAL HA 6.00 (# 3366:20 Preassigned 4.58, 4.70 A)
&rst
ixpk= 3366, nxpk= 20, iat= 613, 632, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 48 THR HA 48 THR HB 7.00 (# 3368:20 Preassigned 2.98, 3.01 A)
&rst
ixpk= 3368, nxpk= 20, iat= 720, 722, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 139 ALA MB 27 HIS HB- 5.50 (# 3369:20 Preassigned 2.71, 5.78 A)
&rst
ixpk= 3369, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2216,2217,2218,
igr2= 433, 434,
&end
#
# 113 ILE QG2 115 ASP HB- 5.50 (# 3370:20 Preassigned 5.87, 7.71 A)
&rst
ixpk= 3370, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1774,1775,1776,
igr2=1805,1806,
&end
#
# 83 GLU HA 112 GLU HG+ 5.50 (# 3371:20 Preassigned 2.11, 4.11 A)
&rst
ixpk= 3371, nxpk= 20, iat=1276, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1760,1761,
&end
#
# 0 AMB 20-2:3372 0 AMB 20-1:3372 7.00 (# 3372:20 Double Ambig )
&rst
ixpk= 3372, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.11, r4=11.86,
igr1=1296,1297,1296,1297,
igr2=1760,1761,1760,1761,
&end
#
# 22 LEU MDX 132 GLU HG+ 4.00 (# 3375:20 Preassigned 2.19, 4.11 A)
&rst
ixpk= 3375, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1= 338, 339, 340, 342, 343, 344,
igr2=2094,2095,
&end
#
# 132 GLU HB- 132 GLU HG+ 4.00 (# 3376:20 Preassigned 2.21, 2.72 A)
&rst
ixpk= 3376, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=2091,2092,
igr2=2094,2095,
&end
#
# 136 ARG HB- 132 GLU HG+ 5.50 (# 3377:20 Preassigned 3.28, 4.99 A)
&rst
ixpk= 3377, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2151,2152,
igr2=2094,2095,
&end
#
# 132 GLU HA 132 GLU HG+ 5.50 (# 3378:20 Preassigned 2.42, 2.95 A)
&rst
ixpk= 3378, nxpk= 20, iat=2089, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2094,2095,
&end
#
# 90 LEU MDY 93 MET HG+ 7.00 (# 3380:20 Preassigned 4.13, 7.38 A)
&rst
ixpk= 3380, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1=1419,1420,1421,1423,1424,1425,
igr2=1462,1463,
&end
#
# 22 LEU MDY 132 GLU HG- 5.50 (# 3381:20 Preassigned 2.19, 4.11 A)
&rst
ixpk= 3381, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 338, 339, 340, 342, 343, 344,
igr2=2094,2095,
&end
#
# 22 LEU MDX 132 GLU HG- 5.50 (# 3382:20 Preassigned 2.19, 4.11 A)
&rst
ixpk= 3382, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 338, 339, 340, 342, 343, 344,
igr2=2094,2095,
&end
#
# 132 GLU HA 132 GLU HG- 7.00 (# 3383:20 Preassigned 2.42, 2.95 A)
&rst
ixpk= 3383, nxpk= 20, iat=2089, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=2094,2095,
&end
#
# 132 GLU HB- 132 GLU HG- 4.00 (# 3384:20 Preassigned 2.21, 2.72 A)
&rst
ixpk= 3384, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=2091,2092,
igr2=2094,2095,
&end
#
# 47 PRO HA 47 PRO HG+ 4.00 (# 3386:20 Preassigned 2.76, 3.47 A)
&rst
ixpk= 3386, nxpk= 20, iat= 714, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2= 708, 709,
&end
#
# 114 PRO HA 114 PRO HB+ 4.00 (# 3388:20 Preassigned 2.30, 2.66 A)
&rst
ixpk= 3388, nxpk= 20, iat=1797, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2=1794,1795,
&end
#
# 47 PRO HA 47 PRO HB- 5.50 (# 3392:20 Preassigned 2.26, 2.66 A)
&rst
ixpk= 3392, nxpk= 20, iat= 714, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 711, 712,
&end
#
# 47 PRO HD- 47 PRO HB- 5.50 (# 3394:20 Unique 2.84, 3.68 A)
&rst
ixpk= 3394, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 705, 706,
igr2= 711, 712,
&end
#
# 95 PRO HA 95 PRO HB+ 4.00 (# 3395:20 Preassigned 2.28, 2.55 A)
&rst
ixpk= 3395, nxpk= 20, iat=1492, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2=1489,1490,
&end
#
# 78 LEU MDY 102 MET HB+ 6.00 (# 3396:20 Unique 2.69, 6.16 A)
&rst
ixpk= 3396, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1195,1196,1197,1199,1200,1201,
igr2=1601,1602,
&end
#
# 83 GLU HA 83 GLU HG+ 5.50 (# 3399:20 Preassigned 2.35, 3.15 A)
&rst
ixpk= 3399, nxpk= 20, iat=1276, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1281,1282,
&end
#
# 87 ILE HA 90 LEU HB+ 5.50 (# 3400:20 Preassigned 2.69, 3.98 A)
&rst
ixpk= 3400, nxpk= 20, iat=1354, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1414,1415,
&end
#
# 83 GLU HA 112 GLU HG- 6.00 (# 3401:20 Preassigned 2.11, 4.11 A)
&rst
ixpk= 3401, nxpk= 20, iat=1276, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1760,1761,
&end
#
# 130 LEU HA 130 LEU HG 7.00 (# 3406:20 Preassigned 3.23, 3.50 A)
&rst
ixpk= 3406, nxpk= 20, iat=2051,2056, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 50 ILE HA 50 ILE HB 7.00 (# 3408:20 Preassigned 3.02, 3.04 A)
&rst
ixpk= 3408, nxpk= 20, iat= 744, 746, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 116 PRO HB- 116 PRO HG+ 5.50 (# 3409:20 Preassigned 2.38, 2.64 A)
&rst
ixpk= 3409, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1820,1821,
igr2=1817,1818,
&end
#
# 100 LYS HD+ 100 LYS HB- 4.00 (# 3410:20 Preassigned 2.46, 3.16 A)
&rst
ixpk= 3410, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=1569,1570,
igr2=1563,1564,
&end
#
# 100 LYS HD- 100 LYS HB- 5.50 (# 3411:20 Preassigned 2.46, 3.16 A)
&rst
ixpk= 3411, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1569,1570,
igr2=1563,1564,
&end
#
# 66 ARG HD- 66 ARG HB+ 5.50 (# 3413:20 Preassigned 2.37, 3.19 A)
&rst
ixpk= 3413, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 976, 977,
igr2= 970, 971,
&end
#
# 0 AMB 20-2:3414 100 LYS HB- 7.00 (# 3414:20 Single Ambig )
&rst
ixpk= 3414, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
igr1=1572,1573,1572,1573,
igr2=1563,1564,
&end
#
# 100 LYS HA 100 LYS HB- 4.00 (# 3415:20 Preassigned 2.35, 2.74 A)
&rst
ixpk= 3415, nxpk= 20, iat=1561, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2=1563,1564,
&end
#
# 79 ILE HG1+ 79 ILE HB 5.50 (# 3416:20 Preassigned 2.26, 2.57 A)
&rst
ixpk= 3416, nxpk= 20, iat= -1,1209, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1215,1216,
&end
#
# 97 MET ME 100 LYS HB- 7.00 (# 3418:20 Preassigned 2.16, 3.89 A)
&rst
ixpk= 3418, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1=1522,1523,1524,
igr2=1563,1564,
&end
#
# 48 THR MG2 121 ARG HB+ 5.50 (# 3420:20 Preassigned 2.63, 4.57 A)
&rst
ixpk= 3420, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 724, 725, 726,
igr2=1909,1910,
&end
#
# 6 LEU MDY 33 GLU HB- 5.50 (# 3422:20 Preassigned 2.38, 5.12 A)
&rst
ixpk= 3422, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 97, 98, 99, 101, 102, 103,
igr2= 536, 537,
&end
#
# 33 GLU HG+ 33 GLU HB- 5.50 (# 3424:20 Preassigned 2.27, 2.69 A)
&rst
ixpk= 3424, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 539, 540,
igr2= 536, 537,
&end
#
# 35 ALA HA 66 ARG HB- 5.50 (# 3425:20 Unique 2.67, 5.06 A)
&rst
ixpk= 3425, nxpk= 20, iat= 560, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 970, 971,
&end
#
# 114 PRO HD+ 114 PRO HG- 5.50 (# 3426:20 Preassigned 2.33, 2.61 A)
&rst
ixpk= 3426, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1788,1789,
igr2=1791,1792,
&end
#
# 66 ARG HD- 66 ARG HG+ 5.50 (# 3427:20 Preassigned 2.30, 2.70 A)
&rst
ixpk= 3427, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 976, 977,
igr2= 973, 974,
&end
#
# 66 ARG HD+ 66 ARG HG+ 5.50 (# 3428:20 Preassigned 2.30, 2.70 A)
&rst
ixpk= 3428, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 976, 977,
igr2= 973, 974,
&end
#
# 7 VAL HA 80 LEU HB+ 6.00 (# 3429:20 Preassigned 2.16, 3.95 A)
&rst
ixpk= 3429, nxpk= 20, iat= 109, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1228,1229,
&end
#
# 7 VAL MGX 80 LEU HB+ 5.50 (# 3430:20 Preassigned 2.26, 4.55 A)
&rst
ixpk= 3430, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 113, 114, 115, 117, 118, 119,
igr2=1228,1229,
&end
#
# 35 ALA HA 66 ARG HG- 5.50 (# 3433:20 Unique 2.22, 3.61 A)
&rst
ixpk= 3433, nxpk= 20, iat= 560, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 973, 974,
&end
#
# 66 ARG HA 66 ARG HG- 7.00 (# 3434:20 Preassigned 2.47, 3.84 A)
&rst
ixpk= 3434, nxpk= 20, iat= 968, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 973, 974,
&end
#
# 80 LEU MDY 102 MET HB- 4.00 (# 3435:20 Preassigned 2.23, 5.02 A)
&rst
ixpk= 3435, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1=1233,1234,1235,1237,1238,1239,
igr2=1601,1602,
&end
#
# 78 LEU MDY 102 MET HB- 5.50 (# 3436:20 Unique 2.69, 6.16 A)
&rst
ixpk= 3436, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1195,1196,1197,1199,1200,1201,
igr2=1601,1602,
&end
#
# 0 AMB 20-2:3437 0 AMB 20-1:3437 5.50 (# 3437:20 Double Ambig )
&rst
ixpk= 3437, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1= 620, 621, 622, 624, 625, 626, 620, 621, 622, 624,
625, 626,
igr2= 615, 616, 615, 616,
&end
#
# 102 MET HG- 102 MET HB- 5.50 (# 3439:20 Preassigned 2.32, 2.73 A)
&rst
ixpk= 3439, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1604,1605,
igr2=1601,1602,
&end
#
# 102 MET HA 102 MET HB- 7.00 (# 3440:20 Preassigned 2.24, 2.71 A)
&rst
ixpk= 3440, nxpk= 20, iat=1599, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1601,1602,
&end
#
# 40 LEU HA 40 LEU HB+ 5.50 (# 3441:20 Preassigned 2.42, 2.78 A)
&rst
ixpk= 3441, nxpk= 20, iat= 613, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 615, 616,
&end
#
# 0 AMB 20-2:3442 8 VAL HB 5.50 (# 3442:20 Single Ambig )
&rst
ixpk= 3442, nxpk= 20, iat= -1, 127, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1419,1420,1421,1423,1424,1425, 129, 130, 131, 133,
134, 135,
&end
#
# 103 LEU MDY 103 LEU HB+ 5.50 (# 3443:20 Preassigned 2.38, 3.33 A)
&rst
ixpk= 3443, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1623,1624,1625,1627,1628,1629,
igr2=1618,1619,
&end
#
# 103 LEU MDX 103 LEU HB+ 4.00 (# 3444:20 Preassigned 2.38, 3.33 A)
&rst
ixpk= 3444, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1=1623,1624,1625,1627,1628,1629,
igr2=1618,1619,
&end
#
# 37 LEU HA 37 LEU HG 5.50 (# 3445:20 Preassigned 2.35, 2.98 A)
&rst
ixpk= 3445, nxpk= 20, iat= 577, 582, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 85 ARG HA 85 ARG HG+ 5.50 (# 3446:20 Preassigned 2.52, 3.30 A)
&rst
ixpk= 3446, nxpk= 20, iat=1313, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1318,1319,
&end
#
# 85 ARG HD+ 85 ARG HG+ 5.50 (# 3447:20 Preassigned 2.28, 2.68 A)
&rst
ixpk= 3447, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1321,1322,
igr2=1318,1319,
&end
#
# 85 ARG HD- 85 ARG HG+ 5.50 (# 3448:20 Preassigned 2.28, 2.68 A)
&rst
ixpk= 3448, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1321,1322,
igr2=1318,1319,
&end
#
# 60 LEU HA 60 LEU HB+ 5.50 (# 3449:20 Preassigned 2.32, 2.72 A)
&rst
ixpk= 3449, nxpk= 20, iat= 889, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 891, 892,
&end
#
# 45 ALA MB 60 LEU HB+ 5.50 (# 3450:20 Preassigned 2.39, 4.21 A)
&rst
ixpk= 3450, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 686, 687, 688,
igr2= 891, 892,
&end
#
# 0 AMB 20-2:3451 0 AMB 20-1:3451 4.00 (# 3451:20 Double Ambig )
&rst
ixpk= 3451, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.63, r4= 8.38,
igr1= 896, 897, 898, 900, 901, 902, 896, 897, 898, 900,
901, 902,
igr2= 891, 892, 891, 892,
&end
#
# 37 LEU HA 37 LEU HB+ 6.00 (# 3452:20 Preassigned 2.44, 2.79 A)
&rst
ixpk= 3452, nxpk= 20, iat= 577, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 579, 580,
&end
#
# 78 LEU MDX 5 ILE HG1+ 5.50 (# 3453:20 Preassigned 2.31, 5.71 A)
&rst
ixpk= 3453, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1195,1196,1197,1199,1200,1201,
igr2= 79, 80,
&end
#
# 126 ALA HA 129 THR MG2 5.50 (# 3454:20 Preassigned 4.58, 5.37 A)
&rst
ixpk= 3454, nxpk= 20, iat=1990, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=2041,2042,2043,
&end
#
# 70 ARG HG+ 94 ALA MB 4.00 (# 3455:20 Preassigned 2.33, 4.26 A)
&rst
ixpk= 3455, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1=1044,1045,
igr2=1476,1477,1478,
&end
#
# 0 AMB 20-2:3456 68 ILE HB 5.50 (# 3456:20 Single Ambig )
&rst
ixpk= 3456, nxpk= 20, iat= -1,1011, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 992, 560,
&end
#
# 17 PRO HD- 17 PRO HG+ 5.50 (# 3457:20 Preassigned 2.23, 2.59 A)
&rst
ixpk= 3457, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 253, 254,
igr2= 256, 257,
&end
#
# 17 PRO HD+ 17 PRO HG+ 5.50 (# 3458:20 Preassigned 2.23, 2.59 A)
&rst
ixpk= 3458, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 253, 254,
igr2= 256, 257,
&end
#
# 17 PRO HB- 17 PRO HG+ 4.00 (# 3460:20 Preassigned 2.23, 2.60 A)
&rst
ixpk= 3460, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1= 259, 260,
igr2= 256, 257,
&end
#
# 35 ALA MB 68 ILE HG1- 5.50 (# 3462:20 Preassigned 3.70, 5.57 A)
&rst
ixpk= 3462, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 562, 563, 564,
igr2=1017,1018,
&end
#
# 0 AMB 20-2:3463 0 AMB 20-1:3463 4.00 (# 3463:20 Double Ambig )
&rst
ixpk= 3463, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.27, r4= 8.02,
igr1=1094,1095,1096,1098,1099,1100, 562, 563, 564,
igr2=1017,1018,1017,1018,
&end
#
# 19 ALA HA 22 LEU HB- 6.00 (# 3464:20 Preassigned 2.52, 3.61 A)
&rst
ixpk= 3464, nxpk= 20, iat= 282, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 333, 334,
&end
#
# 26 TYR HB+ 23 LEU MDY 5.50 (# 3465:20 Preassigned 3.46, 6.86 A)
&rst
ixpk= 3465, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 412, 413,
igr2= 357, 358, 359, 361, 362, 363,
&end
#
# 19 ALA HA 23 LEU MDY 5.50 (# 3466:20 Preassigned 3.41, 5.78 A)
&rst
ixpk= 3466, nxpk= 20, iat= 282, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 357, 358, 359, 361, 362, 363,
&end
#
# 116 PRO HB- 123 THR MG2 5.50 (# 3467:20 Preassigned 2.49, 4.57 A)
&rst
ixpk= 3467, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1820,1821,
igr2=1950,1951,1952,
&end
#
# 124 PHE HA 123 THR MG2 5.50 (# 3468:20 Preassigned 3.99, 5.39 A)
&rst
ixpk= 3468, nxpk= 20, iat=1960, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1950,1951,1952,
&end
#
# 126 ALA HA 130 LEU MDX 5.50 (# 3469:20 Preassigned 6.02, 7.82 A)
&rst
ixpk= 3469, nxpk= 20, iat=1990, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=2058,2059,2060,2062,2063,2064,
&end
#
# 58 LEU HB+ 58 LEU MDX 4.00 (# 3470:20 Preassigned 2.35, 3.38 A)
&rst
ixpk= 3470, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1= 861, 862,
igr2= 866, 867, 868, 870, 871, 872,
&end
#
# 80 LEU HA 80 LEU HB- 5.50 (# 3471:20 Preassigned 2.38, 2.73 A)
&rst
ixpk= 3471, nxpk= 20, iat=1226, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1228,1229,
&end
#
# 7 VAL MGX 80 LEU HB- 6.00 (# 3472:20 Preassigned 2.26, 4.55 A)
&rst
ixpk= 3472, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 113, 114, 115, 117, 118, 119,
igr2=1228,1229,
&end
#
# 7 VAL MGY 80 LEU HB- 5.50 (# 3473:20 Preassigned 2.26, 4.55 A)
&rst
ixpk= 3473, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 113, 114, 115, 117, 118, 119,
igr2=1228,1229,
&end
#
# 6 LEU MDX 8 VAL MGX 5.50 (# 3474:20 Preassigned 2.35, 5.31 A)
&rst
ixpk= 3474, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 97, 98, 99, 101, 102, 103,
igr2= 129, 130, 131, 133, 134, 135,
&end
#
# 0 AMB 20-2:3475 32 VAL MGX 5.50 (# 3475:20 Single Ambig )
&rst
ixpk= 3475, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 374, 375, 374, 375,
igr2= 522, 523, 524, 526, 527, 528,
&end
#
# 36 GLY HA- 8 VAL MGX 5.50 (# 3478:20 Preassigned 2.34, 5.36 A)
&rst
ixpk= 3478, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 570, 571,
igr2= 129, 130, 131, 133, 134, 135,
&end
#
# 142 LEU HG 142 LEU MDX 4.00 (# 3480:20 Preassigned 2.41, 2.66 A)
&rst
ixpk= 3480, nxpk= 20, iat=2256, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr2=2258,2259,2260,2262,2263,2264,
&end
#
# 0 AMB 20-2:3482 79 ILE QG2 5.50 (# 3482:20 Single Ambig )
&rst
ixpk= 3482, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1226,1245,
igr2=1211,1212,1213,
&end
#
# 0 AMB 20-2:3483 30 LEU MDX 4.00 (# 3483:20 Single Ambig )
&rst
ixpk= 3483, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.79, r4= 7.54,
igr1= 79, 80, 479, 480,
igr2= 484, 485, 486, 488, 489, 490,
&end
#
# 0 AMB 20-2:3485 0 AMB 20-1:3485 4.00 (# 3485:20 Double Ambig )
&rst
ixpk= 3485, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 245, 246, 282,
igr2= 113, 114, 115, 117, 118, 119, 284, 285, 286,
&end
#
# 6 LEU MDY 8 VAL MGY 5.50 (# 3486:20 Preassigned 2.35, 5.31 A)
&rst
ixpk= 3486, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 97, 98, 99, 101, 102, 103,
igr2= 129, 130, 131, 133, 134, 135,
&end
#
# 6 LEU MDX 8 VAL MGY 4.00 (# 3487:20 Preassigned 2.35, 5.31 A)
&rst
ixpk= 3487, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.27, r4= 8.02,
igr1= 97, 98, 99, 101, 102, 103,
igr2= 129, 130, 131, 133, 134, 135,
&end
#
# 80 LEU MDY 7 VAL MGX 5.50 (# 3488:20 Preassigned 2.68, 6.60 A)
&rst
ixpk= 3488, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=1233,1234,1235,1237,1238,1239,
igr2= 113, 114, 115, 117, 118, 119,
&end
#
# 104 PHE HB- 80 LEU MDX 5.50 (# 3490:20 Preassigned 4.76, 7.45 A)
&rst
ixpk= 3490, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1637,1638,
igr2=1233,1234,1235,1237,1238,1239,
&end
#
# 0 AMB 20-2:3494 34 SER HA 5.50 (# 3494:20 Single Ambig )
&rst
ixpk= 3494, nxpk= 20, iat= -1, 549, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
igr1= 95, 129, 130, 131, 133, 134, 135,
&end
#
# 7 VAL HB 34 SER HA 5.50 (# 3495:20 Preassigned 2.29, 3.12 A)
&rst
ixpk= 3495, nxpk= 20, iat= 111, 549, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 27 HIS HD2 27 HIS HA 7.00 (# 3497:20 Preassigned 3.20, 4.40 A)
&rst
ixpk= 3497, nxpk= 20, iat= 442, 431, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 83 GLU HN 82 MET HA 5.50 (# 3498:20 Preassigned 3.29, 3.45 A)
&rst
ixpk= 3498, nxpk= 20, iat=1274,1259, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 108 ASP HN 108 ASP HA 4.00 (# 3499:20 Unique 2.85, 2.89 A)
&rst
ixpk= 3499, nxpk= 20, iat=1701,1703, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 109 ASN HN 108 ASP HA 4.00 (# 3500:20 Preassigned 2.36, 2.76 A)
&rst
ixpk= 3500, nxpk= 20, iat=1713,1703, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 0 AMB 20-2:3501 3 ASN HA 5.50 (# 3501:20 Single Ambig )
&rst
ixpk= 3501, nxpk= 20, iat= -1, 43, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 41, 55,
&end
#
# 0 AMB 20-2:3502 7 VAL HA 4.00 (# 3502:20 Single Ambig )
&rst
ixpk= 3502, nxpk= 20, iat= -1, 109, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 123, 107,
&end
#
# 101 VAL HN 100 LYS HA 5.50 (# 3503:20 Preassigned 3.04, 3.36 A)
&rst
ixpk= 3503, nxpk= 20, iat=1581,1561, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 100 LYS HN 100 LYS HA 5.50 (# 3504:20 Preassigned 2.92, 2.96 A)
&rst
ixpk= 3504, nxpk= 20, iat=1559,1561, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 36 GLY HN 67 GLN HA 5.50 (# 3506:20 Preassigned 2.46, 3.25 A)
&rst
ixpk= 3506, nxpk= 20, iat= 568, 992, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 67 GLN HE2- 67 GLN HA 5.50 (# 3507:20 Preassigned 3.58, 4.57 A)
&rst
ixpk= 3507, nxpk= 20, iat= -1, 992, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1002,1003,
&end
#
# 103 LEU HN 103 LEU HA 5.50 (# 3508:20 Preassigned 2.87, 2.94 A)
&rst
ixpk= 3508, nxpk= 20, iat=1614,1616, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 134 SER HN 134 SER HA 5.50 (# 3509:20 Preassigned 2.76, 2.79 A)
&rst
ixpk= 3509, nxpk= 20, iat=2126,2128, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 137 GLN HN 134 SER HA 5.50 (# 3510:20 Preassigned 3.20, 3.37 A)
&rst
ixpk= 3510, nxpk= 20, iat=2171,2128, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 137 GLN HE2+ 134 SER HA 6.00 (# 3511:20 Preassigned 4.07, 5.13 A)
&rst
ixpk= 3511, nxpk= 20, iat= -1,2128, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=2183,2184,
&end
#
# 120 SER HN 120 SER HA 4.00 (# 3512:20 Preassigned 2.67, 2.77 A)
&rst
ixpk= 3512, nxpk= 20, iat=1894,1896, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 121 ARG HN 120 SER HA 5.50 (# 3513:20 Preassigned 2.19, 2.35 A)
&rst
ixpk= 3513, nxpk= 20, iat=1905,1896, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 117 TYR HE 117 TYR HA 5.50 (# 3515:20 Preassigned 4.53, 5.34 A)
&rst
ixpk= 3515, nxpk= 20, iat= -1,1829, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1837,1842,
&end
#
# 74 ARG HN 74 ARG HA 4.00 (# 3516:20 Preassigned 2.84, 2.89 A)
&rst
ixpk= 3516, nxpk= 20, iat=1115,1117, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 76 TYR HN 74 ARG HA 5.50 (# 3517:20 Preassigned 4.15, 4.46 A)
&rst
ixpk= 3517, nxpk= 20, iat=1153,1117, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 121 ARG HN 120 SER HB- 6.00 (# 3518:20 Preassigned 2.53, 3.22 A)
&rst
ixpk= 3518, nxpk= 20, iat=1905, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1898,1899,
&end
#
# 119 LYS HN 117 TYR HA 6.00 (# 3519:20 Preassigned 3.29, 4.07 A)
&rst
ixpk= 3519, nxpk= 20, iat=1872,1829, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 104 PHE HE 104 PHE HA 7.00 (# 3520:20 Preassigned 4.55, 4.99 A)
&rst
ixpk= 3520, nxpk= 20, iat= -1,1635, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1643,1647,
&end
#
# 100 LYS HN 99 GLY HA+ 6.00 (# 3521:20 Preassigned 2.74, 3.29 A)
&rst
ixpk= 3521, nxpk= 20, iat=1559, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1554,1555,
&end
#
# 111 CYS HN 105 GLY HA- 6.00 (# 3522:20 Preassigned 2.49, 3.91 A)
&rst
ixpk= 3522, nxpk= 20, iat=1742, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1655,1656,
&end
#
# 64 CYS HN 63 HIS HA 2.80 (# 3524:20 Preassigned 2.36, 2.47 A)
&rst
ixpk= 3524, nxpk= 20, iat= 945, 930, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 82 MET HN 81 THR HB 5.50 (# 3527:20 Preassigned 2.46, 3.62 A)
&rst
ixpk= 3527, nxpk= 20, iat=1257,1247, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:3528 81 THR HB 7.00 (# 3528:20 Single Ambig )
&rst
ixpk= 3528, nxpk= 20, iat= -1,1247, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1243, 123,
&end
#
# 120 SER HN 120 SER HB+ 5.50 (# 3529:20 Preassigned 2.50, 3.05 A)
&rst
ixpk= 3529, nxpk= 20, iat=1894, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1898,1899,
&end
#
# 121 ARG HN 120 SER HB+ 6.00 (# 3530:20 Preassigned 2.53, 3.22 A)
&rst
ixpk= 3530, nxpk= 20, iat=1905, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1898,1899,
&end
#
# 51 SER HN 47 PRO HA 6.00 (# 3531:20 Preassigned 3.74, 3.97 A)
&rst
ixpk= 3531, nxpk= 20, iat= 761, 714, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 51 SER HN 51 SER HB+ 5.50 (# 3532:20 Preassigned 2.56, 3.10 A)
&rst
ixpk= 3532, nxpk= 20, iat= 761, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 765, 766,
&end
#
# 52 VAL HN 51 SER HB+ 5.50 (# 3533:20 Preassigned 2.34, 3.02 A)
&rst
ixpk= 3533, nxpk= 20, iat= 772, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 765, 766,
&end
#
# 101 VAL HN 98 ARG HA 5.50 (# 3534:20 Preassigned 2.91, 3.28 A)
&rst
ixpk= 3534, nxpk= 20, iat=1581,1530, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 58 LEU HN 54 ALA HA 2.80 (# 3535:20 Preassigned 2.49, 2.74 A)
&rst
ixpk= 3535, nxpk= 20, iat= 857, 800, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 54 ALA HN 54 ALA HA 5.50 (# 3536:20 Preassigned 2.84, 2.86 A)
&rst
ixpk= 3536, nxpk= 20, iat= 798, 800, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 38 GLY HN 37 LEU HA 6.00 (# 3540:20 Preassigned 3.53, 3.56 A)
&rst
ixpk= 3540, nxpk= 20, iat= 594, 577, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 93 MET HN 91 CYS HA 5.50 (# 3541:20 Preassigned 4.31, 4.41 A)
&rst
ixpk= 3541, nxpk= 20, iat=1455,1431, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 94 ALA HN 90 LEU HA 6.00 (# 3550:20 Preassigned 3.65, 4.07 A)
&rst
ixpk= 3550, nxpk= 20, iat=1472,1412, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 76 TYR HE 73 CYS HA 5.50 (# 3552:20 Preassigned 5.55, 7.07 A)
&rst
ixpk= 3552, nxpk= 20, iat= -1,1106, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1163,1168,
&end
#
# 134 SER HN 134 SER HB- 5.50 (# 3553:20 Preassigned 2.35, 3.04 A)
&rst
ixpk= 3553, nxpk= 20, iat=2126, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2130,2131,
&end
#
# 74 ARG HN 71 ARG HA 6.00 (# 3554:20 Preassigned 3.21, 3.49 A)
&rst
ixpk= 3554, nxpk= 20, iat=1115,1063, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 56 HIS HN 53 ALA HA 5.50 (# 3555:20 Preassigned 3.06, 3.35 A)
&rst
ixpk= 3555, nxpk= 20, iat= 823, 790, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 27 HIS HD2 139 ALA HA 5.50 (# 3556:20 Preassigned 2.38, 3.12 A)
&rst
ixpk= 3556, nxpk= 20, iat= 442,2214, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 139 ALA HN 139 ALA HA 5.50 (# 3557:20 Preassigned 2.81, 2.84 A)
&rst
ixpk= 3557, nxpk= 20, iat=2212,2214, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 142 LEU HN 139 ALA HA 5.50 (# 3558:20 Preassigned 3.09, 3.29 A)
&rst
ixpk= 3558, nxpk= 20, iat=2249,2214, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 124 PHE HD 121 ARG HA 5.50 (# 3559:20 Preassigned 2.68, 4.46 A)
&rst
ixpk= 3559, nxpk= 20, iat= -1,1907, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1966,1974,
&end
#
# 0 AMB 20-2:3560 121 ARG HA 7.00 (# 3560:20 Single Ambig )
&rst
ixpk= 3560, nxpk= 20, iat= -1,1907, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1929,1978,
&end
#
# 124 PHE HN 121 ARG HA 5.50 (# 3561:20 Preassigned 2.67, 3.05 A)
&rst
ixpk= 3561, nxpk= 20, iat=1958,1907, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 133 ARG HN 132 GLU HA 7.00 (# 3563:20 Preassigned 3.55, 3.60 A)
&rst
ixpk= 3563, nxpk= 20, iat=2102,2089, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 135 ALA HN 132 GLU HA 5.50 (# 3564:20 Preassigned 2.94, 3.15 A)
&rst
ixpk= 3564, nxpk= 20, iat=2137,2089, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 86 HIS HN 84 LYS HA 6.00 (# 3565:20 Preassigned 3.58, 3.92 A)
&rst
ixpk= 3565, nxpk= 20, iat=1335,1291, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 133 ARG HN 129 THR HA 6.00 (# 3570:20 Preassigned 3.84, 4.04 A)
&rst
ixpk= 3570, nxpk= 20, iat=2102,2037, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 128 TYR HE 129 THR HA 6.00 (# 3571:20 Preassigned 3.68, 5.80 A)
&rst
ixpk= 3571, nxpk= 20, iat= -1,2037, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=2024,2029,
&end
#
# 76 TYR HN 73 CYS HA 6.00 (# 3572:20 Preassigned 3.58, 3.76 A)
&rst
ixpk= 3572, nxpk= 20, iat=1153,1106, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 75 ASN HN 73 CYS HA 6.00 (# 3573:20 Preassigned 4.11, 4.21 A)
&rst
ixpk= 3573, nxpk= 20, iat=1139,1106, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 135 ALA HN 134 SER HB- 7.00 (# 3574:20 Preassigned 2.66, 3.39 A)
&rst
ixpk= 3574, nxpk= 20, iat=2137, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=2130,2131,
&end
#
# 0 AMB 20-2:3575 0 AMB 20-1:3575 7.00 (# 3575:20 Double Ambig )
&rst
ixpk= 3575, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1=1978,2087,
igr2=1960,2130,2131,
&end
#
# 25 ARG HN 22 LEU HA 5.50 (# 3576:20 Preassigned 3.15, 3.32 A)
&rst
ixpk= 3576, nxpk= 20, iat= 384, 331, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 48 THR HN 47 PRO HD- 6.00 (# 3580:20 Preassigned 2.79, 3.70 A)
&rst
ixpk= 3580, nxpk= 20, iat= 718, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 705, 706,
&end
#
# 20 GLU HN 16 SER HA 6.00 (# 3585:20 Preassigned 3.39, 3.70 A)
&rst
ixpk= 3585, nxpk= 20, iat= 290, 243, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 48 THR HN 48 THR HA 7.00 (# 3588:20 Preassigned 2.91, 2.92 A)
&rst
ixpk= 3588, nxpk= 20, iat= 718, 720, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 100 LYS HN 99 GLY HA- 5.50 (# 3589:20 Preassigned 2.74, 3.29 A)
&rst
ixpk= 3589, nxpk= 20, iat=1559, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1554,1555,
&end
#
# 0 AMB 20-2:3590 127 VAL HA 7.00 (# 3590:20 Single Ambig )
&rst
ixpk= 3590, nxpk= 20, iat= -1,2000, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=2035,1988,
&end
#
# 131 LEU HN 127 VAL HA 6.00 (# 3591:20 Preassigned 3.65, 3.86 A)
&rst
ixpk= 3591, nxpk= 20, iat=2068,2000, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 19 ALA HN 18 THR HA 6.00 (# 3592:20 Preassigned 3.58, 3.60 A)
&rst
ixpk= 3592, nxpk= 20, iat= 280, 268, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 134 SER HN 134 SER HB+ 7.00 (# 3593:20 Preassigned 2.35, 3.04 A)
&rst
ixpk= 3593, nxpk= 20, iat=2126, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=2130,2131,
&end
#
# 104 PHE HD 134 SER HB+ 6.00 (# 3594:20 Preassigned 2.01, 4.20 A)
&rst
ixpk= 3594, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1641,1649,
igr2=2130,2131,
&end
#
# 131 LEU HN 128 TYR HA 6.00 (# 3595:20 Preassigned 3.36, 3.69 A)
&rst
ixpk= 3595, nxpk= 20, iat=2068,2016, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 117 TYR HD 118 ARG HA 5.50 (# 3598:20 Preassigned 3.51, 5.43 A)
&rst
ixpk= 3598, nxpk= 20, iat= -1,1850, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1835,1844,
&end
#
# 23 LEU HN 19 ALA HA 5.50 (# 3599:20 Preassigned 3.71, 3.87 A)
&rst
ixpk= 3599, nxpk= 20, iat= 348, 282, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 137 GLN HN 136 ARG HA 6.00 (# 3600:20 Preassigned 3.52, 3.54 A)
&rst
ixpk= 3600, nxpk= 20, iat=2171,2149, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 26 TYR HD 136 ARG HA 7.00 (# 3601:20 Preassigned 2.60, 4.13 A)
&rst
ixpk= 3601, nxpk= 20, iat= -1,2149, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 416, 425,
&end
#
# 89 ARG HN 89 ARG HD- 7.00 (# 3604:20 Preassigned 2.25, 4.00 A)
&rst
ixpk= 3604, nxpk= 20, iat=1386, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1396,1397,
&end
#
# 96 GLU HN 95 PRO HD+ 6.00 (# 3605:20 Preassigned 2.79, 3.52 A)
&rst
ixpk= 3605, nxpk= 20, iat=1496, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1483,1484,
&end
#
# 18 THR HN 17 PRO HD+ 6.00 (# 3607:20 Preassigned 2.70, 3.62 A)
&rst
ixpk= 3607, nxpk= 20, iat= 266, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 253, 254,
&end
#
# 77 ASP HN 77 ASP HB+ 5.50 (# 3610:20 Preassigned 2.45, 2.80 A)
&rst
ixpk= 3610, nxpk= 20, iat=1174, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1178,1179,
&end
#
# 3 ASN HN 77 ASP HB+ 5.50 (# 3611:20 Preassigned 2.56, 4.00 A)
&rst
ixpk= 3611, nxpk= 20, iat= 41, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1178,1179,
&end
#
# 2 PHE HD 77 ASP HB+ 5.50 (# 3612:20 Preassigned 2.46, 6.09 A)
&rst
ixpk= 3612, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 29, 37,
igr2=1178,1179,
&end
#
# 78 LEU HN 77 ASP HB+ 7.00 (# 3613:20 Preassigned 3.07, 3.87 A)
&rst
ixpk= 3613, nxpk= 20, iat=1186, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1178,1179,
&end
#
# 0 AMB 20-2:3614 21 ARG HD- 7.00 (# 3614:20 Single Ambig )
&rst
ixpk= 3614, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
igr1= 321, 322, 321, 322,
igr2= 315, 316,
&end
#
# 27 HIS HN 26 TYR HB- 7.00 (# 3615:20 Preassigned 2.82, 3.66 A)
&rst
ixpk= 3615, nxpk= 20, iat= 429, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 412, 413,
&end
#
# 104 PHE HD 104 PHE HB+ 5.50 (# 3616:20 Preassigned 2.32, 3.08 A)
&rst
ixpk= 3616, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1641,1649,
igr2=1637,1638,
&end
#
# 104 PHE HN 104 PHE HB+ 5.50 (# 3617:20 Preassigned 2.07, 2.80 A)
&rst
ixpk= 3617, nxpk= 20, iat=1633, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1637,1638,
&end
#
# 86 HIS HD1 0 AMB 20-1:3618 7.00 (# 3618:20 Single Ambig )
&rst
ixpk= 3618, nxpk= 20, iat=1343, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr2=1321,1322,1396,1397,
&end
#
# 89 ARG HN 89 ARG HD+ 5.50 (# 3619:20 Preassigned 2.25, 4.00 A)
&rst
ixpk= 3619, nxpk= 20, iat=1386, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1396,1397,
&end
#
# 18 THR HN 17 PRO HD- 6.00 (# 3623:20 Preassigned 2.70, 3.62 A)
&rst
ixpk= 3623, nxpk= 20, iat= 266, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 253, 254,
&end
#
# 44 GLY HN 43 LYS HE+ 7.00 (# 3625:20 Preassigned 3.23, 4.90 A)
&rst
ixpk= 3625, nxpk= 20, iat= 675, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 666, 667,
&end
#
# 121 ARG HE 121 ARG HD+ 7.00 (# 3626:20 Preassigned 2.27, 2.74 A)
&rst
ixpk= 3626, nxpk= 20, iat=1918, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1915,1916,
&end
#
# 121 ARG HH2+ 121 ARG HD+ 7.00 (# 3627:20 Preassigned 1.92, 3.54 A)
&rst
ixpk= 3627, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1924,1925,
igr2=1915,1916,
&end
#
# 26 TYR HD 25 ARG HD- 5.50 (# 3628:20 Preassigned 3.66, 6.10 A)
&rst
ixpk= 3628, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 416, 425,
igr2= 394, 395,
&end
#
# 26 TYR HE 25 ARG HD- 5.50 (# 3629:20 Preassigned 3.06, 5.48 A)
&rst
ixpk= 3629, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 418, 423,
igr2= 394, 395,
&end
#
# 87 ILE HN 86 HIS HB+ 6.00 (# 3630:20 Preassigned 2.59, 3.35 A)
&rst
ixpk= 3630, nxpk= 20, iat=1352, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1339,1340,
&end
#
# 86 HIS HN 86 HIS HB+ 5.50 (# 3631:20 Preassigned 2.32, 3.06 A)
&rst
ixpk= 3631, nxpk= 20, iat=1335, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1339,1340,
&end
#
# 141 ALA HN 138 TRP HB+ 5.50 (# 3632:20 Preassigned 4.97, 5.32 A)
&rst
ixpk= 3632, nxpk= 20, iat=2239, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2192,2193,
&end
#
# 0 AMB 20-2:3634 76 TYR HB- 7.00 (# 3634:20 Single Ambig )
&rst
ixpk= 3634, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
igr1= 64, 65,1163,1168,
igr2=1157,1158,
&end
#
# 125 ALA HN 124 PHE HB- 6.00 (# 3635:20 Preassigned 2.74, 3.19 A)
&rst
ixpk= 3635, nxpk= 20, iat=1978, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1962,1963,
&end
#
# 124 PHE HN 124 PHE HB- 7.00 (# 3636:20 Preassigned 2.07, 2.81 A)
&rst
ixpk= 3636, nxpk= 20, iat=1958, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1962,1963,
&end
#
# 110 GLU HN 109 ASN HB- 6.00 (# 3637:20 Preassigned 4.05, 4.47 A)
&rst
ixpk= 3637, nxpk= 20, iat=1727, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1717,1718,
&end
#
# 2 PHE HN 2 PHE HB+ 5.50 (# 3638:20 Preassigned 2.50, 3.15 A)
&rst
ixpk= 3638, nxpk= 20, iat= 21, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 25, 26,
&end
#
# 117 TYR HD 117 TYR HB- 4.00 (# 3641:20 Preassigned 2.27, 3.08 A)
&rst
ixpk= 3641, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=1835,1844,
igr2=1831,1832,
&end
#
# 117 TYR HN 117 TYR HB- 5.50 (# 3642:20 Preassigned 2.21, 2.58 A)
&rst
ixpk= 3642, nxpk= 20, iat=1827, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1831,1832,
&end
#
# 2 PHE HD 77 ASP HB- 5.50 (# 3644:20 Preassigned 2.46, 6.09 A)
&rst
ixpk= 3644, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 29, 37,
igr2=1178,1179,
&end
#
# 27 HIS HN 26 TYR HB+ 5.50 (# 3645:20 Preassigned 2.82, 3.66 A)
&rst
ixpk= 3645, nxpk= 20, iat= 429, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 412, 413,
&end
#
# 45 ALA HN 63 HIS HB- 6.00 (# 3647:20 Preassigned 2.27, 4.17 A)
&rst
ixpk= 3647, nxpk= 20, iat= 682, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 932, 933,
&end
#
# 4 ASN HD2- 0 AMB 20-1:3649 7.00 (# 3649:20 Single Ambig )
&rst
ixpk= 3649, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
igr1= 64, 65,
igr2= 45, 46, 45, 46,
&end
#
# 137 GLN HE2- 108 ASP HB- 6.00 (# 3650:20 Preassigned 2.93, 6.60 A)
&rst
ixpk= 3650, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=2183,2184,
igr2=1705,1706,
&end
#
# 5 ILE HN 4 ASN HB+ 6.00 (# 3651:20 Preassigned 2.53, 3.81 A)
&rst
ixpk= 3651, nxpk= 20, iat= 69, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 59, 60,
&end
#
# 94 ALA HN 93 MET HG- 7.00 (# 3653:20 Preassigned 2.67, 4.75 A)
&rst
ixpk= 3653, nxpk= 20, iat=1472, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1462,1463,
&end
#
# 74 ARG HN 73 CYS HB+ 7.00 (# 3655:20 Preassigned 2.55, 3.25 A)
&rst
ixpk= 3655, nxpk= 20, iat=1115, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1108,1109,
&end
#
# 108 ASP HN 107 TRP HB- 7.00 (# 3656:20 Preassigned 2.70, 3.96 A)
&rst
ixpk= 3656, nxpk= 20, iat=1701, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1681,1682,
&end
#
# 84 LYS HN 112 GLU HG+ 6.00 (# 3657:20 Preassigned 2.10, 4.41 A)
&rst
ixpk= 3657, nxpk= 20, iat=1289, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1760,1761,
&end
#
# 137 GLN HE2- 137 GLN HG+ 5.50 (# 3659:20 Preassigned 2.15, 3.23 A)
&rst
ixpk= 3659, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2183,2184,
igr2=2178,2179,
&end
#
# 137 GLN HE2+ 137 GLN HG+ 5.50 (# 3660:20 Preassigned 2.15, 3.23 A)
&rst
ixpk= 3660, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2183,2184,
igr2=2178,2179,
&end
#
# 137 GLN HN 137 GLN HG+ 4.00 (# 3661:20 Preassigned 2.45, 2.96 A)
&rst
ixpk= 3661, nxpk= 20, iat=2171, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2=2178,2179,
&end
#
# 138 TRP HN 137 GLN HG+ 7.00 (# 3662:20 Preassigned 4.61, 4.80 A)
&rst
ixpk= 3662, nxpk= 20, iat=2188, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=2178,2179,
&end
#
# 67 GLN HE2- 67 GLN HG+ 7.00 (# 3663:20 Preassigned 2.22, 3.25 A)
&rst
ixpk= 3663, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1002,1003,
igr2= 997, 998,
&end
#
# 67 GLN HE2+ 67 GLN HG+ 5.50 (# 3664:20 Preassigned 2.22, 3.25 A)
&rst
ixpk= 3664, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1002,1003,
igr2= 997, 998,
&end
#
# 67 GLN HN 67 GLN HG+ 5.50 (# 3665:20 Preassigned 2.75, 4.36 A)
&rst
ixpk= 3665, nxpk= 20, iat= 990, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 997, 998,
&end
#
# 74 ARG HN 75 ASN HB- 6.00 (# 3666:20 Preassigned 4.75, 4.97 A)
&rst
ixpk= 3666, nxpk= 20, iat=1115, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1143,1144,
&end
#
# 48 THR HN 47 PRO HB+ 5.50 (# 3667:20 Preassigned 2.89, 3.74 A)
&rst
ixpk= 3667, nxpk= 20, iat= 718, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 711, 712,
&end
#
# 26 TYR HE 132 GLU HG+ 5.50 (# 3668:20 Preassigned 2.33, 5.08 A)
&rst
ixpk= 3668, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 418, 423,
igr2=2094,2095,
&end
#
# 132 GLU HN 132 GLU HG+ 5.50 (# 3669:20 Preassigned 4.35, 4.51 A)
&rst
ixpk= 3669, nxpk= 20, iat=2087, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2094,2095,
&end
#
# 123 THR HN 122 GLU HG+ 6.00 (# 3670:20 Preassigned 2.40, 4.21 A)
&rst
ixpk= 3670, nxpk= 20, iat=1944, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1936,1937,
&end
#
# 88 GLU HN 88 GLU HG+ 4.00 (# 3671:20 Preassigned 2.25, 3.64 A)
&rst
ixpk= 3671, nxpk= 20, iat=1371, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2=1378,1379,
&end
#
# 55 GLU HN 55 GLU HG+ 5.50 (# 3672:20 Preassigned 2.53, 4.10 A)
&rst
ixpk= 3672, nxpk= 20, iat= 808, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 815, 816,
&end
#
# 92 GLU HN 92 GLU HG+ 5.50 (# 3673:20 Preassigned 2.43, 4.16 A)
&rst
ixpk= 3673, nxpk= 20, iat=1440, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1447,1448,
&end
#
# 93 MET HN 92 GLU HG+ 7.00 (# 3674:20 Preassigned 3.68, 4.49 A)
&rst
ixpk= 3674, nxpk= 20, iat=1455, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1447,1448,
&end
#
# 60 LEU HN 0 AMB 20-1:3675 7.00 (# 3675:20 Single Ambig )
&rst
ixpk= 3675, nxpk= 20, iat= 887, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr2= 913, 914, 913, 914,
&end
#
# 122 GLU HN 122 GLU HG- 5.50 (# 3676:20 Preassigned 2.11, 3.79 A)
&rst
ixpk= 3676, nxpk= 20, iat=1929, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1936,1937,
&end
#
# 123 THR HN 122 GLU HG- 5.50 (# 3677:20 Preassigned 2.40, 4.21 A)
&rst
ixpk= 3677, nxpk= 20, iat=1944, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1936,1937,
&end
#
# 26 TYR HE 132 GLU HG- 5.50 (# 3678:20 Preassigned 2.33, 5.08 A)
&rst
ixpk= 3678, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 418, 423,
igr2=2094,2095,
&end
#
# 138 TRP HN 137 GLN HB- 6.00 (# 3680:20 Preassigned 2.58, 3.18 A)
&rst
ixpk= 3680, nxpk= 20, iat=2188, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=2175,2176,
&end
#
# 0 AMB 20-2:3682 0 AMB 20-1:3682 5.50 (# 3682:20 Double Ambig )
&rst
ixpk= 3682, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1163,1168, 852, 853,
igr2= 536, 537, 847, 848,
&end
#
# 140 GLN HE2- 140 GLN HG- 5.50 (# 3683:20 Preassigned 2.24, 3.28 A)
&rst
ixpk= 3683, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2234,2235,
igr2=2229,2230,
&end
#
# 140 GLN HE2- 140 GLN HG+ 5.50 (# 3684:20 Preassigned 2.24, 3.28 A)
&rst
ixpk= 3684, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2234,2235,
igr2=2229,2230,
&end
#
# 140 GLN HE2+ 140 GLN HG- 5.50 (# 3685:20 Preassigned 2.24, 3.28 A)
&rst
ixpk= 3685, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2234,2235,
igr2=2229,2230,
&end
#
# 102 MET HN 102 MET HG- 5.50 (# 3687:20 Preassigned 2.36, 3.63 A)
&rst
ixpk= 3687, nxpk= 20, iat=1597, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1604,1605,
&end
#
# 103 LEU HN 102 MET HG- 6.00 (# 3688:20 Preassigned 3.67, 4.42 A)
&rst
ixpk= 3688, nxpk= 20, iat=1614, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1604,1605,
&end
#
# 5 ILE HN 31 LYS HB- 6.00 (# 3689:20 Preassigned 2.86, 4.46 A)
&rst
ixpk= 3689, nxpk= 20, iat= 69, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 498, 499,
&end
#
# 100 LYS HN 100 LYS HB+ 5.50 (# 3690:20 Preassigned 2.30, 3.12 A)
&rst
ixpk= 3690, nxpk= 20, iat=1559, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1563,1564,
&end
#
# 122 GLU HN 122 GLU HB- 5.50 (# 3693:20 Preassigned 2.18, 2.79 A)
&rst
ixpk= 3693, nxpk= 20, iat=1929, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1933,1934,
&end
#
# 88 GLU HN 0 AMB 20-1:3695 4.00 (# 3695:20 Single Ambig )
&rst
ixpk= 3695, nxpk= 20, iat=1371, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr2=1375,1376,1375,1376,
&end
#
# 25 ARG HN 24 GLN HB+ 6.00 (# 3696:20 Preassigned 2.59, 3.27 A)
&rst
ixpk= 3696, nxpk= 20, iat= 384, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 371, 372,
&end
#
# 89 ARG HN 0 AMB 20-1:3697 5.50 (# 3697:20 Single Ambig )
&rst
ixpk= 3697, nxpk= 20, iat=1386, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1375,1376,1375,1376,
&end
#
# 92 GLU HN 92 GLU HB- 4.00 (# 3698:20 Preassigned 2.32, 2.61 A)
&rst
ixpk= 3698, nxpk= 20, iat=1440, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2=1444,1445,
&end
#
# 48 THR HN 47 PRO HG+ 6.00 (# 3699:20 Preassigned 2.64, 4.54 A)
&rst
ixpk= 3699, nxpk= 20, iat= 718, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 708, 709,
&end
#
# 24 GLN HN 24 GLN HB- 5.50 (# 3701:20 Preassigned 2.08, 2.62 A)
&rst
ixpk= 3701, nxpk= 20, iat= 367, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 371, 372,
&end
#
# 122 GLU HN 122 GLU HB+ 5.50 (# 3702:20 Preassigned 2.18, 2.79 A)
&rst
ixpk= 3702, nxpk= 20, iat=1929, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1933,1934,
&end
#
# 94 ALA HN 93 MET HB- 4.00 (# 3704:20 Preassigned 2.73, 3.37 A)
&rst
ixpk= 3704, nxpk= 20, iat=1472, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2=1459,1460,
&end
#
# 43 LYS HN 43 LYS HB+ 5.50 (# 3705:20 Preassigned 2.22, 2.55 A)
&rst
ixpk= 3705, nxpk= 20, iat= 653, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 657, 658,
&end
#
# 44 GLY HN 43 LYS HB+ 4.00 (# 3706:20 Preassigned 2.51, 3.77 A)
&rst
ixpk= 3706, nxpk= 20, iat= 675, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2= 657, 658,
&end
#
# 84 LYS HN 83 GLU HB+ 5.50 (# 3707:20 Preassigned 2.61, 3.47 A)
&rst
ixpk= 3707, nxpk= 20, iat=1289, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1278,1279,
&end
#
# 115 ASP HN 114 PRO HB+ 5.50 (# 3708:20 Preassigned 2.44, 2.99 A)
&rst
ixpk= 3708, nxpk= 20, iat=1801, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1794,1795,
&end
#
# 102 MET HN 102 MET HG+ 5.50 (# 3709:20 Preassigned 2.36, 3.63 A)
&rst
ixpk= 3709, nxpk= 20, iat=1597, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1604,1605,
&end
#
# 103 LEU HN 102 MET HG+ 5.50 (# 3710:20 Preassigned 3.67, 4.42 A)
&rst
ixpk= 3710, nxpk= 20, iat=1614, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1604,1605,
&end
#
# 52 VAL HN 52 VAL HB 5.50 (# 3712:20 Preassigned 2.32, 3.03 A)
&rst
ixpk= 3712, nxpk= 20, iat= 772, 776, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 96 GLU HN 95 PRO HB+ 5.50 (# 3713:20 Preassigned 2.53, 4.01 A)
&rst
ixpk= 3713, nxpk= 20, iat=1496, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1489,1490,
&end
#
# 41 VAL HN 41 VAL HB 2.80 (# 3714:20 Preassigned 2.35, 2.65 A)
&rst
ixpk= 3714, nxpk= 20, iat= 630, 634, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 42 GLY HN 41 VAL HB 5.50 (# 3715:20 Preassigned 4.10, 4.26 A)
&rst
ixpk= 3715, nxpk= 20, iat= 646, 634, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 84 LYS HN 84 LYS HB+ 5.50 (# 3716:20 Preassigned 2.39, 2.90 A)
&rst
ixpk= 3716, nxpk= 20, iat=1289, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1293,1294,
&end
#
# 112 GLU HN 112 GLU HB- 5.50 (# 3717:20 Preassigned 2.16, 3.12 A)
&rst
ixpk= 3717, nxpk= 20, iat=1753, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1757,1758,
&end
#
# 48 THR HN 47 PRO HB- 5.50 (# 3718:20 Preassigned 2.89, 3.74 A)
&rst
ixpk= 3718, nxpk= 20, iat= 718, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 711, 712,
&end
#
# 131 LEU HN 130 LEU HB+ 6.00 (# 3720:20 Preassigned 2.23, 3.27 A)
&rst
ixpk= 3720, nxpk= 20, iat=2068, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=2053,2054,
&end
#
# 101 VAL HN 97 MET ME 6.00 (# 3721:20 Preassigned 4.29, 5.96 A)
&rst
ixpk= 3721, nxpk= 20, iat=1581, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2=1522,1523,1524,
&end
#
# 97 MET HN 97 MET HB- 7.00 (# 3722:20 Preassigned 2.38, 3.07 A)
&rst
ixpk= 3722, nxpk= 20, iat=1511, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1515,1516,
&end
#
# 20 GLU HN 20 GLU HB+ 7.00 (# 3723:20 Preassigned 2.13, 2.94 A)
&rst
ixpk= 3723, nxpk= 20, iat= 290, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 294, 295,
&end
#
# 0 AMB 20-2:3724 0 AMB 20-1:3724 4.00 (# 3724:20 Double Ambig )
&rst
ixpk= 3724, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
igr1=2307,2292,
igr2=2296,2297,2296,2297,
&end
#
# 67 GLN HN 67 GLN HB+ 5.50 (# 3725:20 Preassigned 2.23, 2.58 A)
&rst
ixpk= 3725, nxpk= 20, iat= 990, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 994, 995,
&end
#
# 61 GLU HN 61 GLU HB+ 4.00 (# 3728:20 Preassigned 2.20, 2.92 A)
&rst
ixpk= 3728, nxpk= 20, iat= 906, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2= 910, 911,
&end
#
# 132 GLU HN 132 GLU HB+ 6.00 (# 3730:20 Preassigned 2.33, 2.54 A)
&rst
ixpk= 3730, nxpk= 20, iat=2087, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=2091,2092,
&end
#
# 0 AMB 20-2:3732 32 VAL HB 5.50 (# 3732:20 Single Ambig )
&rst
ixpk= 3732, nxpk= 20, iat= -1, 520, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 379, 380, 379, 380,
&end
#
# 110 GLU HN 0 AMB 20-1:3736 5.50 (# 3736:20 Single Ambig )
&rst
ixpk= 3736, nxpk= 20, iat=1727, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1731,1732,1731,1732,
&end
#
# 112 GLU HN 112 GLU HG- 5.50 (# 3739:20 Preassigned 2.01, 3.13 A)
&rst
ixpk= 3739, nxpk= 20, iat=1753, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1760,1761,
&end
#
# 84 LYS HN 112 GLU HG- 6.00 (# 3740:20 Preassigned 2.10, 4.41 A)
&rst
ixpk= 3740, nxpk= 20, iat=1289, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1760,1761,
&end
#
# 0 AMB 20-2:3741 0 AMB 20-1:3741 4.00 (# 3741:20 Double Ambig )
&rst
ixpk= 3741, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
igr1=1311,1929,
igr2=1315,1316,1909,1910,
&end
#
# 67 GLN HN 67 GLN HB- 5.50 (# 3742:20 Preassigned 2.23, 2.58 A)
&rst
ixpk= 3742, nxpk= 20, iat= 990, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 994, 995,
&end
#
# 85 ARG HN 85 ARG HB+ 5.50 (# 3743:20 Preassigned 2.40, 3.10 A)
&rst
ixpk= 3743, nxpk= 20, iat=1311, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1315,1316,
&end
#
# 84 LYS HN 87 ILE HG1+ 6.00 (# 3744:20 Preassigned 4.40, 5.06 A)
&rst
ixpk= 3744, nxpk= 20, iat=1289, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1362,1363,
&end
#
# 90 LEU HN 90 LEU HG 5.50 (# 3745:20 Preassigned 2.50, 3.86 A)
&rst
ixpk= 3745, nxpk= 20, iat=1410,1417, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 21 ARG HN 21 ARG HB+ 5.50 (# 3746:20 Preassigned 2.17, 2.98 A)
&rst
ixpk= 3746, nxpk= 20, iat= 305, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 309, 310,
&end
#
# 99 GLY HN 98 ARG HG- 6.00 (# 3748:20 Preassigned 2.15, 3.67 A)
&rst
ixpk= 3748, nxpk= 20, iat=1552, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1535,1536,
&end
#
# 4 ASN HA 5 ILE HB 6.00 (# 3750:20 Preassigned 3.96, 4.42 A)
&rst
ixpk= 3750, nxpk= 20, iat= 57, 73, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 103 LEU HN 103 LEU HG 7.00 (# 3751:20 Preassigned 2.48, 4.27 A)
&rst
ixpk= 3751, nxpk= 20, iat=1614,1621, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 76 TYR HD 72 LEU HG 6.00 (# 3752:20 Preassigned 3.98, 6.79 A)
&rst
ixpk= 3752, nxpk= 20, iat= -1,1092, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1161,1170,
&end
#
# 75 ASN HD2+ 72 LEU HG 7.00 (# 3753:20 Preassigned 4.57, 6.59 A)
&rst
ixpk= 3753, nxpk= 20, iat= -1,1092, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1148,1149,
&end
#
# 86 HIS HN 85 ARG HB- 6.00 (# 3754:20 Preassigned 2.77, 3.70 A)
&rst
ixpk= 3754, nxpk= 20, iat=1335, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1315,1316,
&end
#
# 24 GLN HN 23 LEU HB+ 6.00 (# 3755:20 Preassigned 2.53, 3.11 A)
&rst
ixpk= 3755, nxpk= 20, iat= 367, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 352, 353,
&end
#
# 66 ARG HN 66 ARG HB+ 7.00 (# 3757:20 Preassigned 2.98, 3.69 A)
&rst
ixpk= 3757, nxpk= 20, iat= 966, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 970, 971,
&end
#
# 115 ASP HN 114 PRO HB- 4.00 (# 3758:20 Preassigned 2.44, 2.99 A)
&rst
ixpk= 3758, nxpk= 20, iat=1801, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2=1794,1795,
&end
#
# 66 ARG HE 66 ARG HB- 7.00 (# 3759:20 Preassigned 2.47, 4.07 A)
&rst
ixpk= 3759, nxpk= 20, iat= 979, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 970, 971,
&end
#
# 106 HIS HN 103 LEU HB- 6.00 (# 3760:20 Preassigned 2.67, 4.15 A)
&rst
ixpk= 3760, nxpk= 20, iat=1660, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1618,1619,
&end
#
# 102 MET HN 79 ILE HB 6.00 (# 3761:20 Preassigned 3.66, 3.98 A)
&rst
ixpk= 3761, nxpk= 20, iat=1597,1209, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 133 ARG HN 132 GLU HB- 5.50 (# 3762:20 Preassigned 2.65, 3.40 A)
&rst
ixpk= 3762, nxpk= 20, iat=2102, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2091,2092,
&end
#
# 132 GLU HN 132 GLU HB- 5.50 (# 3763:20 Preassigned 2.33, 2.54 A)
&rst
ixpk= 3763, nxpk= 20, iat=2087, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2091,2092,
&end
#
# 119 LYS HN 119 LYS HD+ 7.00 (# 3764:20 Preassigned 2.69, 4.55 A)
&rst
ixpk= 3764, nxpk= 20, iat=1872, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1882,1883,
&end
#
# 138 TRP HN 135 ALA MB 6.00 (# 3766:20 Preassigned 5.20, 5.50 A)
&rst
ixpk= 3766, nxpk= 20, iat=2188, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2=2141,2142,2143,
&end
#
# 51 SER HN 49 ALA MB 6.00 (# 3767:20 Preassigned 4.99, 5.57 A)
&rst
ixpk= 3767, nxpk= 20, iat= 761, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 736, 737, 738,
&end
#
# 120 SER HN 119 LYS HD- 5.50 (# 3769:20 Preassigned 3.85, 5.13 A)
&rst
ixpk= 3769, nxpk= 20, iat=1894, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1882,1883,
&end
#
# 0 AMB 20-2:3770 0 AMB 20-1:3770 5.50 (# 3770:20 Double Ambig )
&rst
ixpk= 3770, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=2102,2115,
igr2=2109,2110,2109,2110,
&end
#
# 99 GLY HN 98 ARG HG+ 6.00 (# 3771:20 Preassigned 2.15, 3.67 A)
&rst
ixpk= 3771, nxpk= 20, iat=1552, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1535,1536,
&end
#
# 66 ARG HE 66 ARG HG+ 5.50 (# 3772:20 Preassigned 2.25, 2.95 A)
&rst
ixpk= 3772, nxpk= 20, iat= 979, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 973, 974,
&end
#
# 66 ARG HN 66 ARG HG+ 5.50 (# 3773:20 Preassigned 2.29, 3.55 A)
&rst
ixpk= 3773, nxpk= 20, iat= 966, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 973, 974,
&end
#
# 104 PHE HD 80 LEU HB+ 6.00 (# 3775:20 Preassigned 2.48, 4.51 A)
&rst
ixpk= 3775, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1641,1649,
igr2=1228,1229,
&end
#
# 141 ALA HN 139 ALA MB 6.00 (# 3776:20 Preassigned 5.18, 5.68 A)
&rst
ixpk= 3776, nxpk= 20, iat=2239, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2=2216,2217,2218,
&end
#
# 142 LEU HN 139 ALA MB 6.00 (# 3777:20 Preassigned 5.00, 5.49 A)
&rst
ixpk= 3777, nxpk= 20, iat=2249, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2=2216,2217,2218,
&end
#
# 85 ARG HN 85 ARG HG- 7.00 (# 3779:20 Preassigned 2.11, 2.83 A)
&rst
ixpk= 3779, nxpk= 20, iat=1311, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1318,1319,
&end
#
# 0 AMB 20-2:3780 133 ARG HG- 7.00 (# 3780:20 Single Ambig )
&rst
ixpk= 3780, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=2102,2115,
igr2=2109,2110,
&end
#
# 85 ARG HN 85 ARG HG- 7.00 (# 3781:20 Preassigned 2.11, 2.83 A)
&rst
ixpk= 3781, nxpk= 20, iat=1311, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1318,1319,
&end
#
# 43 LYS HN 43 LYS HG- 4.00 (# 3782:20 Preassigned 2.50, 4.26 A)
&rst
ixpk= 3782, nxpk= 20, iat= 653, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2= 660, 661,
&end
#
# 100 LYS HN 100 LYS HD- 5.50 (# 3783:20 Preassigned 2.71, 4.46 A)
&rst
ixpk= 3783, nxpk= 20, iat=1559, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1569,1570,
&end
#
# 60 LEU HN 60 LEU HB- 7.00 (# 3784:20 Preassigned 2.18, 2.92 A)
&rst
ixpk= 3784, nxpk= 20, iat= 887, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 891, 892,
&end
#
# 60 LEU HN 60 LEU HG 5.50 (# 3787:20 Preassigned 2.07, 3.20 A)
&rst
ixpk= 3787, nxpk= 20, iat= 887, 894, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 86 HIS HD1 85 ARG HG+ 6.00 (# 3790:20 Preassigned 2.16, 4.67 A)
&rst
ixpk= 3790, nxpk= 20, iat=1343, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1318,1319,
&end
#
# 86 HIS HD2 85 ARG HG+ 6.00 (# 3793:20 Unique 3.36, 7.45 A)
&rst
ixpk= 3793, nxpk= 20, iat=1348, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1318,1319,
&end
#
# 102 MET HN 102 MET HB- 7.00 (# 3794:20 Preassigned 2.61, 3.37 A)
&rst
ixpk= 3794, nxpk= 20, iat=1597, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1601,1602,
&end
#
# 103 LEU HN 102 MET HB- 7.00 (# 3795:20 Preassigned 2.04, 3.11 A)
&rst
ixpk= 3795, nxpk= 20, iat=1614, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1601,1602,
&end
#
# 40 LEU HN 40 LEU HB+ 5.50 (# 3796:20 Preassigned 2.33, 3.05 A)
&rst
ixpk= 3796, nxpk= 20, iat= 611, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 615, 616,
&end
#
# 106 HIS HD2 102 MET HB- 7.00 (# 3797:20 Preassigned 2.17, 5.38 A)
&rst
ixpk= 3797, nxpk= 20, iat=1673, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1601,1602,
&end
#
# 41 VAL HN 40 LEU HB- 5.50 (# 3798:20 Preassigned 4.29, 4.42 A)
&rst
ixpk= 3798, nxpk= 20, iat= 630, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 615, 616,
&end
#
# 41 VAL HN 40 LEU HB+ 6.00 (# 3799:20 Preassigned 4.29, 4.42 A)
&rst
ixpk= 3799, nxpk= 20, iat= 630, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 615, 616,
&end
#
# 37 LEU HN 37 LEU HB- 7.00 (# 3800:20 Preassigned 2.14, 2.58 A)
&rst
ixpk= 3800, nxpk= 20, iat= 575, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 579, 580,
&end
#
# 4 ASN HA 31 LYS HG+ 6.00 (# 3801:20 Preassigned 2.20, 3.15 A)
&rst
ixpk= 3801, nxpk= 20, iat= 57, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 501, 502,
&end
#
# 58 LEU HN 58 LEU HG 7.00 (# 3802:20 Preassigned 2.91, 4.54 A)
&rst
ixpk= 3802, nxpk= 20, iat= 857, 864, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 113 ILE HN 113 ILE HG1- 7.00 (# 3803:20 Preassigned 2.26, 2.93 A)
&rst
ixpk= 3803, nxpk= 20, iat=1768, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1778,1779,
&end
#
# 60 LEU HN 60 LEU HB+ 7.00 (# 3804:20 Preassigned 2.18, 2.92 A)
&rst
ixpk= 3804, nxpk= 20, iat= 887, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 891, 892,
&end
#
# 121 ARG HE 121 ARG HG+ 7.00 (# 3806:20 Unique 2.25, 3.03 A)
&rst
ixpk= 3806, nxpk= 20, iat=1918, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1912,1913,
&end
#
# 4 ASN HA 5 ILE HG1+ 5.50 (# 3807:20 Preassigned 2.99, 4.69 A)
&rst
ixpk= 3807, nxpk= 20, iat= 57, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 79, 80,
&end
#
# 104 PHE HN 82 MET ME 7.00 (# 3808:20 Preassigned 4.66, 6.02 A)
&rst
ixpk= 3808, nxpk= 20, iat=1633, -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr2=1268,1269,1270,
&end
#
# 16 SER HN 82 MET ME 6.00 (# 3809:20 Preassigned 3.68, 5.28 A)
&rst
ixpk= 3809, nxpk= 20, iat= 241, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2=1268,1269,1270,
&end
#
# 63 HIS HN 45 ALA MB 6.00 (# 3810:20 Preassigned 3.86, 5.41 A)
&rst
ixpk= 3810, nxpk= 20, iat= 928, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 686, 687, 688,
&end
#
# 93 MET HN 94 ALA MB 5.50 (# 3812:20 Preassigned 5.02, 5.74 A)
&rst
ixpk= 3812, nxpk= 20, iat=1455, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1476,1477,1478,
&end
#
# 2 PHE HD 78 LEU HB+ 6.00 (# 3814:20 Preassigned 2.44, 4.48 A)
&rst
ixpk= 3814, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 29, 37,
igr2=1190,1191,
&end
#
# 68 ILE HN 68 ILE HG1- 7.00 (# 3815:20 Preassigned 4.32, 4.53 A)
&rst
ixpk= 3815, nxpk= 20, iat=1007, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1017,1018,
&end
#
# 120 SER HN 119 LYS HG- 7.00 (# 3816:20 Preassigned 2.55, 4.29 A)
&rst
ixpk= 3816, nxpk= 20, iat=1894, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1879,1880,
&end
#
# 25 ARG HN 25 ARG HG+ 7.00 (# 3817:20 Preassigned 2.48, 4.21 A)
&rst
ixpk= 3817, nxpk= 20, iat= 384, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 391, 392,
&end
#
# 58 LEU HN 58 LEU MDX 5.50 (# 3818:20 Preassigned 3.74, 5.32 A)
&rst
ixpk= 3818, nxpk= 20, iat= 857, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 866, 867, 868, 870, 871, 872,
&end
#
# 80 LEU HA 80 LEU HG 7.00 (# 3819:20 Preassigned 2.63, 3.37 A)
&rst
ixpk= 3819, nxpk= 20, iat=1226,1231, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 78 LEU HN 78 LEU HB- 7.00 (# 3820:20 Preassigned 2.73, 3.11 A)
&rst
ixpk= 3820, nxpk= 20, iat=1186, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1190,1191,
&end
#
# 0 AMB 20-2:3822 6 LEU HB- 7.00 (# 3822:20 Single Ambig )
&rst
ixpk= 3822, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 107,1224,
igr2= 92, 93,
&end
#
# 6 LEU HN 6 LEU HB- 7.00 (# 3823:20 Preassigned 2.51, 2.85 A)
&rst
ixpk= 3823, nxpk= 20, iat= 88, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 92, 93,
&end
#
# 127 VAL HN 123 THR MG2 6.00 (# 3825:20 Preassigned 4.23, 5.29 A)
&rst
ixpk= 3825, nxpk= 20, iat=1998, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2=1950,1951,1952,
&end
#
# 5 ILE HN 5 ILE HG1- 5.50 (# 3826:20 Preassigned 2.25, 3.45 A)
&rst
ixpk= 3826, nxpk= 20, iat= 69, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 79, 80,
&end
#
# 26 TYR HE 136 ARG HG+ 6.00 (# 3827:20 Preassigned 2.71, 5.00 A)
&rst
ixpk= 3827, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 418, 423,
igr2=2154,2155,
&end
#
# 0 AMB 20-2:3828 35 ALA MB 7.00 (# 3828:20 Single Ambig )
&rst
ixpk= 3828, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 107, 123,
igr2= 562, 563, 564,
&end
#
# 142 LEU HN 23 LEU MDY 6.00 (# 3829:20 Unique 5.48, 7.91 A)
&rst
ixpk= 3829, nxpk= 20, iat=2249, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 357, 358, 359, 361, 362, 363,
&end
#
# 27 HIS HN 23 LEU MDY 6.00 (# 3830:20 Preassigned 5.20, 7.32 A)
&rst
ixpk= 3830, nxpk= 20, iat= 429, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 357, 358, 359, 361, 362, 363,
&end
#
# 124 PHE HN 123 THR MG2 5.50 (# 3831:20 Preassigned 3.92, 4.76 A)
&rst
ixpk= 3831, nxpk= 20, iat=1958, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1950,1951,1952,
&end
#
# 5 ILE HN 32 VAL MGX 6.00 (# 3832:20 Preassigned 3.69, 5.40 A)
&rst
ixpk= 3832, nxpk= 20, iat= 69, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 522, 523, 524, 526, 527, 528,
&end
#
# 132 GLU HN 22 LEU MDX 5.50 (# 3833:20 Preassigned 3.10, 5.49 A)
&rst
ixpk= 3833, nxpk= 20, iat=2087, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 128 TYR HD 52 VAL MGY 7.00 (# 3836:20 Preassigned 2.32, 5.94 A)
&rst
ixpk= 3836, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1=2022,2031,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 0 AMB 20-2:3839 0 AMB 20-1:3839 7.00 (# 3839:20 Double Ambig )
&rst
ixpk= 3839, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=13.34, r4=14.09,
igr1=1643,1647,1968,1972,
igr2= 357, 358, 359, 361, 362, 363,2004,2005,2006,2008,
2009,2010,
&end
#
# 0 AMB 20-2:3840 127 VAL MGY 7.00 (# 3840:20 Single Ambig )
&rst
ixpk= 3840, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1=2049,1827,
igr2=2004,2005,2006,2008,2009,2010,
&end
#
# 131 LEU HN 113 ILE QG2 6.00 (# 3841:20 Preassigned 3.94, 4.71 A)
&rst
ixpk= 3841, nxpk= 20, iat=2068, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2=1774,1775,1776,
&end
#
# 79 ILE HN 78 LEU HG 5.50 (# 3842:20 Preassigned 2.37, 3.53 A)
&rst
ixpk= 3842, nxpk= 20, iat=1205,1193, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:3843 79 ILE HG1- 7.00 (# 3843:20 Single Ambig )
&rst
ixpk= 3843, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1224, 107,
igr2=1215,1216,
&end
#
# 94 ALA HN 90 LEU MDY 6.00 (# 3845:20 Preassigned 3.56, 6.49 A)
&rst
ixpk= 3845, nxpk= 20, iat=1472, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2=1419,1420,1421,1423,1424,1425,
&end
#
# 0 AMB 20-2:3849 52 VAL MGX 5.50 (# 3849:20 Single Ambig )
&rst
ixpk= 3849, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2014, 798,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 101 VAL HN 87 ILE QG2 6.00 (# 3850:20 Preassigned 5.28, 7.07 A)
&rst
ixpk= 3850, nxpk= 20, iat=1581, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2=1358,1359,1360,
&end
#
# 132 GLU HN 131 LEU MDX 7.00 (# 3852:20 Preassigned 3.41, 5.22 A)
&rst
ixpk= 3852, nxpk= 20, iat=2087, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr2=2077,2078,2079,2081,2082,2083,
&end
#
# 128 TYR HN 131 LEU MDX 6.00 (# 3853:20 Preassigned 4.06, 5.89 A)
&rst
ixpk= 3853, nxpk= 20, iat=2014, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2=2077,2078,2079,2081,2082,2083,
&end
#
# 104 PHE HE 131 LEU MDX 6.00 (# 3854:20 Preassigned 2.89, 6.80 A)
&rst
ixpk= 3854, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1643,1647,
igr2=2077,2078,2079,2081,2082,2083,
&end
#
# 81 THR HN 101 VAL MGX 5.50 (# 3855:20 Preassigned 4.63, 6.84 A)
&rst
ixpk= 3855, nxpk= 20, iat=1243, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1587,1588,1589,1591,1592,1593,
&end
#
# 79 ILE HN 101 VAL MGX 6.00 (# 3856:20 Preassigned 4.12, 5.77 A)
&rst
ixpk= 3856, nxpk= 20, iat=1205, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2=1587,1588,1589,1591,1592,1593,
&end
#
# 76 TYR HN 79 ILE QD1 6.00 (# 3858:20 Preassigned 3.61, 4.85 A)
&rst
ixpk= 3858, nxpk= 20, iat=1153, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2=1218,1219,1220,
&end
#
# 73 CYS HN 79 ILE QD1 6.00 (# 3859:20 Preassigned 5.42, 6.69 A)
&rst
ixpk= 3859, nxpk= 20, iat=1104, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2=1218,1219,1220,
&end
#
# 6 LEU HN 79 ILE QD1 6.00 (# 3860:20 Preassigned 3.09, 4.80 A)
&rst
ixpk= 3860, nxpk= 20, iat= 88, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2=1218,1219,1220,
&end
#
# 131 LEU HN 131 LEU HB+ 5.50 (# 3861:20 Preassigned 2.27, 3.18 A)
&rst
ixpk= 3861, nxpk= 20, iat=2068, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2072,2073,
&end
#
# 19 ALA HN 131 LEU MDY 6.00 (# 3863:20 Preassigned 2.91, 4.76 A)
&rst
ixpk= 3863, nxpk= 20, iat= 280, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2=2077,2078,2079,2081,2082,2083,
&end
#
# 67 GLN HE2+ 37 LEU MDY 6.00 (# 3864:20 Preassigned 3.50, 7.12 A)
&rst
ixpk= 3864, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1002,1003,
igr2= 584, 585, 586, 588, 589, 590,
&end
#
# 0 AMB 20-2:3865 68 ILE QD1 5.50 (# 3865:20 Single Ambig )
&rst
ixpk= 3865, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 123, 107,
igr2=1020,1021,1022,
&end
#
# 90 LEU HN 87 ILE QG2 6.00 (# 3866:20 Preassigned 6.19, 6.73 A)
&rst
ixpk= 3866, nxpk= 20, iat=1410, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2=1358,1359,1360,
&end
#
# 102 MET HN 87 ILE QG2 6.00 (# 3867:20 Preassigned 5.28, 6.84 A)
&rst
ixpk= 3867, nxpk= 20, iat=1597, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2=1358,1359,1360,
&end
#
# 37 LEU HN 68 ILE QG2 5.50 (# 3868:20 Preassigned 4.20, 5.22 A)
&rst
ixpk= 3868, nxpk= 20, iat= 575, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1013,1014,1015,
&end
#
# 51 SER HN 48 THR MG2 6.00 (# 3869:20 Preassigned 5.08, 5.83 A)
&rst
ixpk= 3869, nxpk= 20, iat= 761, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 724, 725, 726,
&end
#
# 19 ALA HN 19 ALA MB 4.00 (# 3870:20 Preassigned 2.25, 2.85 A)
&rst
ixpk= 3870, nxpk= 20, iat= 280, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2= 284, 285, 286,
&end
#
# 20 GLU HN 0 AMB 20-1:3871 4.00 (# 3871:20 Single Ambig )
&rst
ixpk= 3871, nxpk= 20, iat= 290, -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
igr2= 113, 114, 115, 117, 118, 119, 284, 285, 286,
&end
#
# 18 THR HN 19 ALA MB 5.50 (# 3872:20 Preassigned 4.67, 5.41 A)
&rst
ixpk= 3872, nxpk= 20, iat= 266, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 284, 285, 286,
&end
#
# 6 LEU HN 79 ILE QG2 6.00 (# 3873:20 Preassigned 4.04, 5.57 A)
&rst
ixpk= 3873, nxpk= 20, iat= 88, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2=1211,1212,1213,
&end
#
# 21 ARG HE 60 LEU MDX 6.00 (# 3874:20 Preassigned 2.82, 5.85 A)
&rst
ixpk= 3874, nxpk= 20, iat= 318, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 896, 897, 898, 900, 901, 902,
&end
#
# 8 VAL HN 8 VAL MGY 4.00 (# 3876:20 Preassigned 2.50, 4.16 A)
&rst
ixpk= 3876, nxpk= 20, iat= 123, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr2= 129, 130, 131, 133, 134, 135,
&end
#
# 35 ALA HN 8 VAL MGY 5.50 (# 3877:20 Preassigned 3.32, 5.24 A)
&rst
ixpk= 3877, nxpk= 20, iat= 558, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 129, 130, 131, 133, 134, 135,
&end
#
# 81 THR HA 8 VAL MGY 5.50 (# 3879:20 Preassigned 3.79, 6.22 A)
&rst
ixpk= 3879, nxpk= 20, iat=1245, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 129, 130, 131, 133, 134, 135,
&end
#
# 77 ASP HN 5 ILE QD1 6.00 (# 3881:20 Preassigned 4.88, 6.82 A)
&rst
ixpk= 3881, nxpk= 20, iat=1174, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 82, 83, 84,
&end
#
# 4 ASN HA 5 ILE QD1 6.00 (# 3882:20 Preassigned 3.45, 5.31 A)
&rst
ixpk= 3882, nxpk= 20, iat= 57, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 82, 83, 84,
&end
#
# 27 HIS HD2 5 ILE QD1 6.00 (# 3883:20 Preassigned 4.57, 6.36 A)
&rst
ixpk= 3883, nxpk= 20, iat= 442, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 82, 83, 84,
&end
#
# 87 ILE HN 87 ILE HG1- 7.00 (# 3884:20 Preassigned 2.01, 2.91 A)
&rst
ixpk= 3884, nxpk= 20, iat=1352, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1362,1363,
&end
#
# 105 GLY HN 103 LEU MDX 5.50 (# 3885:20 Preassigned 1.94, 4.13 A)
&rst
ixpk= 3885, nxpk= 20, iat=1653, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1623,1624,1625,1627,1628,1629,
&end
#
# 46 ASP HN 60 LEU MDX 5.50 (# 3886:20 Preassigned 4.05, 6.11 A)
&rst
ixpk= 3886, nxpk= 20, iat= 692, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 896, 897, 898, 900, 901, 902,
&end
#
# 0 AMB 20-2:3887 0 AMB 20-1:3887 7.00 (# 3887:20 Double Ambig )
&rst
ixpk= 3887, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.89, r4=12.64,
igr1=1226,1245,
igr2=1195,1196,1197,1199,1200,1201,1623,1624,1625,1627,
1628,1629,
&end
#
# 38 GLY HN 37 LEU MDX 7.00 (# 3889:20 Preassigned 3.80, 5.45 A)
&rst
ixpk= 3889, nxpk= 20, iat= 594, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr2= 584, 585, 586, 588, 589, 590,
&end
#
# 34 SER HA 7 VAL MGX 6.00 (# 3890:20 Preassigned 2.24, 5.10 A)
&rst
ixpk= 3890, nxpk= 20, iat= 549, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 113, 114, 115, 117, 118, 119,
&end
#
# 23 LEU HN 22 LEU MDY 7.00 (# 3893:20 Preassigned 4.63, 5.69 A)
&rst
ixpk= 3893, nxpk= 20, iat= 348, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 6 LEU HN 6 LEU MDX 7.00 (# 3895:20 Preassigned 4.82, 5.50 A)
&rst
ixpk= 3895, nxpk= 20, iat= 88, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr2= 97, 98, 99, 101, 102, 103,
&end
#
# 84 LYS HN 83 GLU HB- 7.00 (# 3896:20 Preassigned 2.61, 3.47 A)
&rst
ixpk= 3896, nxpk= 20, iat=1289, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1278,1279,
&end
#
# 103 LEU HN 80 LEU MDY 6.00 (# 3900:20 Preassigned 3.90, 6.77 A)
&rst
ixpk= 3900, nxpk= 20, iat=1614, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2=1233,1234,1235,1237,1238,1239,
&end
#
# 6 LEU HN 6 LEU HB+ 7.00 (# 3901:20 Preassigned 2.51, 2.85 A)
&rst
ixpk= 3901, nxpk= 20, iat= 88, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 92, 93,
&end
#
# 87 ILE HN 86 HIS HB- 6.00 (# 3902:20 Preassigned 2.59, 3.35 A)
&rst
ixpk= 3902, nxpk= 20, iat=1352, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1339,1340,
&end
#
# 128 TYR HE 56 HIS HB- 6.00 (# 3903:20 Preassigned 2.58, 4.28 A)
&rst
ixpk= 3903, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=2024,2029,
igr2= 827, 828,
&end
#
# 0 AMB 20-2:3904 56 HIS HB- 7.00 (# 3904:20 Single Ambig )
&rst
ixpk= 3904, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 857, 840,
igr2= 827, 828,
&end
#
# 125 ALA HN 124 PHE HB+ 5.50 (# 3906:20 Preassigned 2.74, 3.19 A)
&rst
ixpk= 3906, nxpk= 20, iat=1978, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1962,1963,
&end
#
# 58 LEU HN 56 HIS HB+ 6.00 (# 3909:20 Preassigned 3.35, 4.14 A)
&rst
ixpk= 3909, nxpk= 20, iat= 857, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 827, 828,
&end
#
# 49 ALA HN 46 ASP HB+ 6.00 (# 3910:20 Preassigned 2.38, 3.51 A)
&rst
ixpk= 3910, nxpk= 20, iat= 732, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 696, 697,
&end
#
# 67 GLN HE2- 38 GLY HA+ 6.00 (# 3911:20 Preassigned 2.40, 4.65 A)
&rst
ixpk= 3911, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1002,1003,
igr2= 596, 597,
&end
#
# 64 CYS HN 63 HIS HB+ 6.00 (# 3912:20 Preassigned 3.61, 4.09 A)
&rst
ixpk= 3912, nxpk= 20, iat= 945, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 932, 933,
&end
#
# 45 ALA HN 63 HIS HB+ 5.50 (# 3913:20 Preassigned 2.27, 4.17 A)
&rst
ixpk= 3913, nxpk= 20, iat= 682, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 932, 933,
&end
#
# 63 HIS HN 63 HIS HB+ 5.50 (# 3914:20 Preassigned 2.34, 2.83 A)
&rst
ixpk= 3914, nxpk= 20, iat= 928, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 932, 933,
&end
#
# 107 TRP HD1 107 TRP HB+ 7.00 (# 3916:20 Preassigned 2.50, 3.11 A)
&rst
ixpk= 3916, nxpk= 20, iat=1685, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1681,1682,
&end
#
# 36 GLY HA- 8 VAL MGY 5.50 (# 3917:20 Preassigned 2.34, 5.36 A)
&rst
ixpk= 3917, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 570, 571,
igr2= 129, 130, 131, 133, 134, 135,
&end
#
# 8 VAL HA 8 VAL MGY 5.50 (# 3918:20 Preassigned 2.36, 3.18 A)
&rst
ixpk= 3918, nxpk= 20, iat= 125, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 129, 130, 131, 133, 134, 135,
&end
#
# 89 ARG HA 37 LEU MDY 5.50 (# 3919:20 Preassigned 4.48, 6.25 A)
&rst
ixpk= 3919, nxpk= 20, iat=1388, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 584, 585, 586, 588, 589, 590,
&end
#
# 28 PRO HB- 0 AMB 20-1:3920 4.00 (# 3920:20 Single Ambig )
&rst
ixpk= 3920, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
igr1= 453, 454,
igr2= 450, 451, 450, 451,
&end
#
# 28 PRO HD- 0 AMB 20-1:3921 2.80 (# 3921:20 Single Ambig )
&rst
ixpk= 3921, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 447, 448,
igr2= 450, 451, 450, 451,
&end
#
# 95 PRO HD+ 95 PRO HG+ 4.00 (# 3922:20 Preassigned 2.32, 2.61 A)
&rst
ixpk= 3922, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=1483,1484,
igr2=1486,1487,
&end
#
# 95 PRO HA 95 PRO HG+ 4.00 (# 3923:20 Preassigned 2.81, 3.87 A)
&rst
ixpk= 3923, nxpk= 20, iat=1492, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2=1486,1487,
&end
#
# 28 PRO HA 0 AMB 20-1:3924 4.00 (# 3924:20 Single Ambig )
&rst
ixpk= 3924, nxpk= 20, iat= 456, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr2= 450, 451, 450, 451,
&end
#
# 27 HIS HA 0 AMB 20-1:3925 5.50 (# 3925:20 Single Ambig )
&rst
ixpk= 3925, nxpk= 20, iat= 431, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 450, 451, 450, 451,
&end
#
# 0 AMB 20-2:3926 0 AMB 20-1:3926 2.80 (# 3926:20 Double Ambig )
&rst
ixpk= 3926, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 447, 448, 447, 448,
igr2= 450, 451, 450, 451,
&end
#
# 90 LEU HA 90 LEU HG 4.00 (# 3928:20 Preassigned 2.25, 2.61 A)
&rst
ixpk= 3928, nxpk= 20, iat=1412,1417, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 0 AMB 20-2:3929 5 ILE HG1- 5.50 (# 3929:20 Single Ambig )
&rst
ixpk= 3929, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 484, 485, 486, 488, 489, 490, 82, 83, 84,
igr2= 79, 80,
&end
#
# 137 GLN HA 140 GLN HB+ 4.00 (# 3932:20 Preassigned 2.20, 3.20 A)
&rst
ixpk= 3932, nxpk= 20, iat=2173, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2=2226,2227,
&end
#
# 85 ARG HA 85 ARG HB- 4.00 (# 3933:20 Preassigned 2.36, 2.64 A)
&rst
ixpk= 3933, nxpk= 20, iat=1313, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2=1315,1316,
&end
#
# 85 ARG HA 85 ARG HB+ 2.80 (# 3934:20 Preassigned 2.36, 2.64 A)
&rst
ixpk= 3934, nxpk= 20, iat=1313, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1315,1316,
&end
#
# 29 GLU HA 29 GLU HB+ 4.00 (# 3935:20 Preassigned 2.30, 2.60 A)
&rst
ixpk= 3935, nxpk= 20, iat= 462, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2= 464, 465,
&end
#
# 146 GLN HA 146 GLN HB+ 2.80 (# 3936:20 Preassigned 2.35, 2.72 A)
&rst
ixpk= 3936, nxpk= 20, iat=2309, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=2311,2312,
&end
#
# 145 GLU HA 145 GLU HB+ 2.80 (# 3937:20 Preassigned 2.34, 2.70 A)
&rst
ixpk= 3937, nxpk= 20, iat=2294, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=2296,2297,
&end
#
# 29 GLU HA 29 GLU HB- 4.00 (# 3938:20 Preassigned 2.30, 2.60 A)
&rst
ixpk= 3938, nxpk= 20, iat= 462, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2= 464, 465,
&end
#
# 0 AMB 20-2:3939 0 AMB 20-1:3939 4.00 (# 3939:20 Double Ambig )
&rst
ixpk= 3939, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
igr1= 374, 375, 374, 375,
igr2= 371, 372, 371, 372,
&end
#
# 0 AMB 20-2:3940 24 GLN HB- 5.50 (# 3940:20 Single Ambig )
&rst
ixpk= 3940, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 374, 375, 374, 375,
igr2= 371, 372,
&end
#
# 132 GLU HG+ 132 GLU HB- 5.50 (# 3941:20 Preassigned 2.21, 2.72 A)
&rst
ixpk= 3941, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2094,2095,
igr2=2091,2092,
&end
#
# 132 GLU HG- 132 GLU HB- 5.50 (# 3942:20 Preassigned 2.21, 2.72 A)
&rst
ixpk= 3942, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2094,2095,
igr2=2091,2092,
&end
#
# 0 AMB 20-2:3949 0 AMB 20-1:3949 5.50 (# 3949:20 Double Ambig )
&rst
ixpk= 3949, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1483,1484,1538,1539,
igr2=1489,1490,1489,1490,
&end
#
# 95 PRO HD- 95 PRO HB+ 5.50 (# 3950:20 Preassigned 2.82, 3.69 A)
&rst
ixpk= 3950, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1483,1484,
igr2=1489,1490,
&end
#
# 80 LEU MDY 102 MET HG- 5.50 (# 3951:20 Preassigned 2.46, 6.05 A)
&rst
ixpk= 3951, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1233,1234,1235,1237,1238,1239,
igr2=1604,1605,
&end
#
# 80 LEU MDY 102 MET HG+ 5.50 (# 3952:20 Preassigned 2.46, 6.05 A)
&rst
ixpk= 3952, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1233,1234,1235,1237,1238,1239,
igr2=1604,1605,
&end
#
# 78 LEU MDY 102 MET HG+ 5.50 (# 3953:20 Unique 2.52, 5.87 A)
&rst
ixpk= 3953, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1195,1196,1197,1199,1200,1201,
igr2=1604,1605,
&end
#
# 102 MET HB- 102 MET HG- 4.00 (# 3954:20 Preassigned 2.32, 2.73 A)
&rst
ixpk= 3954, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=1601,1602,
igr2=1604,1605,
&end
#
# 0 AMB 20-2:3955 0 AMB 20-1:3955 5.50 (# 3955:20 Double Ambig )
&rst
ixpk= 3955, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.64, r4= 9.39,
igr1=1608,1609,1610,1817,1818,
igr2=1604,1605,2002,
&end
#
# 41 VAL HA 41 VAL HB 4.00 (# 3956:20 Preassigned 2.33, 2.79 A)
&rst
ixpk= 3956, nxpk= 20, iat= 632, 634, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 137 GLN HA 137 GLN HG+ 4.00 (# 3957:20 Preassigned 2.52, 3.02 A)
&rst
ixpk= 3957, nxpk= 20, iat=2173, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2=2178,2179,
&end
#
# 140 GLN HA 140 GLN HG- 4.00 (# 3958:20 Preassigned 2.82, 3.63 A)
&rst
ixpk= 3958, nxpk= 20, iat=2224, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2=2229,2230,
&end
#
# 93 MET HG- 93 MET HB- 5.50 (# 3959:20 Preassigned 2.36, 2.75 A)
&rst
ixpk= 3959, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1462,1463,
igr2=1459,1460,
&end
#
# 93 MET HA 93 MET HB- 5.50 (# 3960:20 Preassigned 2.33, 2.76 A)
&rst
ixpk= 3960, nxpk= 20, iat=1457, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1459,1460,
&end
#
# 85 ARG HA 88 GLU HG+ 5.50 (# 3961:20 Preassigned 3.36, 4.62 A)
&rst
ixpk= 3961, nxpk= 20, iat=1313, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1378,1379,
&end
#
# 88 GLU HA 88 GLU HG+ 4.00 (# 3962:20 Preassigned 2.38, 2.92 A)
&rst
ixpk= 3962, nxpk= 20, iat=1373, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2=1378,1379,
&end
#
# 29 GLU HB- 29 GLU HG+ 2.80 (# 3963:20 Preassigned 2.27, 2.68 A)
&rst
ixpk= 3963, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 464, 465,
igr2= 467, 468,
&end
#
# 32 VAL MGX 20 GLU HG+ 5.50 (# 3965:20 Preassigned 2.51, 6.03 A)
&rst
ixpk= 3965, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 522, 523, 524, 526, 527, 528,
igr2= 297, 298,
&end
#
# 32 VAL MGX 20 GLU HG- 5.50 (# 3966:20 Preassigned 2.51, 6.03 A)
&rst
ixpk= 3966, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 522, 523, 524, 526, 527, 528,
igr2= 297, 298,
&end
#
# 20 GLU HB+ 20 GLU HG- 5.50 (# 3967:20 Preassigned 2.20, 2.75 A)
&rst
ixpk= 3967, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 294, 295,
igr2= 297, 298,
&end
#
# 20 GLU HA 20 GLU HG- 5.50 (# 3968:20 Preassigned 2.90, 3.65 A)
&rst
ixpk= 3968, nxpk= 20, iat= 292, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 297, 298,
&end
#
# 20 GLU HA 20 GLU HG+ 5.50 (# 3969:20 Preassigned 2.90, 3.65 A)
&rst
ixpk= 3969, nxpk= 20, iat= 292, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 297, 298,
&end
#
# 122 GLU HA 122 GLU HG- 5.50 (# 3970:20 Preassigned 2.39, 3.28 A)
&rst
ixpk= 3970, nxpk= 20, iat=1931, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1936,1937,
&end
#
# 117 TYR HA 117 TYR HB- 5.50 (# 3974:20 Unique 2.36, 2.74 A)
&rst
ixpk= 3974, nxpk= 20, iat=1829, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1831,1832,
&end
#
# 139 ALA MB 26 TYR HB+ 5.50 (# 3977:20 Preassigned 2.39, 3.06 A)
&rst
ixpk= 3977, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2216,2217,2218,
igr2= 412, 413,
&end
#
# 21 ARG HA 21 ARG HD+ 5.50 (# 3979:20 Preassigned 2.12, 3.80 A)
&rst
ixpk= 3979, nxpk= 20, iat= 307, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 315, 316,
&end
#
# 37 LEU MDX 89 ARG HD+ 5.50 (# 3982:20 Preassigned 2.45, 5.81 A)
&rst
ixpk= 3982, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 584, 585, 586, 588, 589, 590,
igr2=1396,1397,
&end
#
# 37 LEU MDY 89 ARG HD+ 5.50 (# 3983:20 Preassigned 2.45, 5.81 A)
&rst
ixpk= 3983, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 584, 585, 586, 588, 589, 590,
igr2=1396,1397,
&end
#
# 43 LYS HA 44 GLY HA- 5.50 (# 3986:20 Preassigned 4.43, 4.58 A)
&rst
ixpk= 3986, nxpk= 20, iat= 655, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 677, 678,
&end
#
# 127 VAL MGX 116 PRO HD- 5.50 (# 4003:20 Unique 2.12, 4.31 A)
&rst
ixpk= 4003, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2004,2005,2006,2008,2009,2010,
igr2=1814,1815,
&end
#
# 0 AMB 20-2:4004 0 AMB 20-1:4004 5.50 (# 4004:20 Double Ambig )
&rst
ixpk= 4004, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1=2004,2005,2006,2008,2009,2010,2004,2005,2006,2008,
2009,2010,
igr2=1814,1815,1814,1815,
&end
#
# 0 AMB 20-2:4007 0 AMB 20-1:4007 7.00 (# 4007:20 Double Ambig )
&rst
ixpk= 4007, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=13.34, r4=14.09,
igr1= 896, 897, 898, 900, 901, 902, 896, 897, 898, 900,
901, 902,
igr2= 253, 254, 253, 254,
&end
#
# 115 ASP HB+ 115 ASP HA 5.50 (# 4010:20 Preassigned 2.33, 2.71 A)
&rst
ixpk= 4010, nxpk= 20, iat= -1,1803, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1805,1806,
&end
#
# 116 PRO HD- 115 ASP HA 5.50 (# 4011:20 Preassigned 2.20, 2.41 A)
&rst
ixpk= 4011, nxpk= 20, iat= -1,1803, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1814,1815,
&end
#
# 46 ASP HB+ 47 PRO HD+ 6.00 (# 4012:20 Preassigned 3.97, 4.53 A)
&rst
ixpk= 4012, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 696, 697,
igr2= 705, 706,
&end
#
# 78 LEU MDY 100 LYS HA 4.00 (# 4013:20 Preassigned 2.41, 5.31 A)
&rst
ixpk= 4013, nxpk= 20, iat= -1,1561, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1=1195,1196,1197,1199,1200,1201,
&end
#
# 0 AMB 20-2:4014 100 LYS HA 5.50 (# 4014:20 Single Ambig )
&rst
ixpk= 4014, nxpk= 20, iat= -1,1561, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1587,1588,1589,1591,1592,1593,1587,1588,1589,1591,
1592,1593,
&end
#
# 100 LYS HD+ 100 LYS HA 5.50 (# 4015:20 Preassigned 2.26, 3.93 A)
&rst
ixpk= 4015, nxpk= 20, iat= -1,1561, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1569,1570,
&end
#
# 100 LYS HD- 100 LYS HA 5.50 (# 4016:20 Preassigned 2.26, 3.93 A)
&rst
ixpk= 4016, nxpk= 20, iat= -1,1561, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1569,1570,
&end
#
# 100 LYS HB- 100 LYS HA 5.50 (# 4017:20 Preassigned 2.35, 2.74 A)
&rst
ixpk= 4017, nxpk= 20, iat= -1,1561, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1563,1564,
&end
#
# 100 LYS HB+ 100 LYS HA 2.80 (# 4018:20 Preassigned 2.35, 2.74 A)
&rst
ixpk= 4018, nxpk= 20, iat= -1,1561, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1563,1564,
&end
#
# 24 GLN HB+ 21 ARG HA 5.50 (# 4021:20 Preassigned 2.25, 2.96 A)
&rst
ixpk= 4021, nxpk= 20, iat= -1, 307, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 371, 372,
&end
#
# 113 ILE HG1- 113 ILE HA 5.50 (# 4022:20 Preassigned 2.23, 2.73 A)
&rst
ixpk= 4022, nxpk= 20, iat= -1,1770, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1778,1779,
&end
#
# 74 ARG HG+ 74 ARG HA 4.00 (# 4023:20 Preassigned 2.35, 2.79 A)
&rst
ixpk= 4023, nxpk= 20, iat= -1,1117, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1122,1123,
&end
#
# 74 ARG HB- 74 ARG HA 4.00 (# 4024:20 Preassigned 2.46, 2.80 A)
&rst
ixpk= 4024, nxpk= 20, iat= -1,1117, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1119,1120,
&end
#
# 74 ARG HB+ 74 ARG HA 5.50 (# 4025:20 Preassigned 2.46, 2.80 A)
&rst
ixpk= 4025, nxpk= 20, iat= -1,1117, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1119,1120,
&end
#
# 63 HIS HB- 63 HIS HA 5.50 (# 4026:20 Preassigned 2.45, 2.79 A)
&rst
ixpk= 4026, nxpk= 20, iat= -1, 930, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 932, 933,
&end
#
# 74 ARG HD+ 74 ARG HA 5.50 (# 4028:20 Preassigned 2.45, 4.40 A)
&rst
ixpk= 4028, nxpk= 20, iat= -1,1117, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1125,1126,
&end
#
# 0 AMB 20-2:4029 74 ARG HA 5.50 (# 4029:20 Single Ambig )
&rst
ixpk= 4029, nxpk= 20, iat= -1,1117, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1106,1063,
&end
#
# 89 ARG HD- 85 ARG HA 5.50 (# 4030:20 Preassigned 3.66, 5.31 A)
&rst
ixpk= 4030, nxpk= 20, iat= -1,1313, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1396,1397,
&end
#
# 26 TYR HB- 26 TYR HA 5.50 (# 4031:20 Preassigned 2.42, 2.75 A)
&rst
ixpk= 4031, nxpk= 20, iat= -1, 410, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 412, 413,
&end
#
# 0 AMB 20-2:4032 136 ARG HA 5.50 (# 4032:20 Single Ambig )
&rst
ixpk= 4032, nxpk= 20, iat= -1,2149, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2157,2158,2157,2158,
&end
#
# 80 LEU MDX 104 PHE HA 5.50 (# 4033:20 Preassigned 3.00, 5.57 A)
&rst
ixpk= 4033, nxpk= 20, iat= -1,1635, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1233,1234,1235,1237,1238,1239,
&end
#
# 7 VAL MGX 16 SER HB+ 6.00 (# 4034:20 Preassigned 2.14, 5.06 A)
&rst
ixpk= 4034, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 113, 114, 115, 117, 118, 119,
igr2= 245, 246,
&end
#
# 7 VAL MGX 16 SER HB- 5.50 (# 4035:20 Preassigned 2.14, 5.06 A)
&rst
ixpk= 4035, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 113, 114, 115, 117, 118, 119,
igr2= 245, 246,
&end
#
# 7 VAL MGY 16 SER HA 2.80 (# 4036:20 Preassigned 2.28, 3.91 A)
&rst
ixpk= 4036, nxpk= 20, iat= -1, 243, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 113, 114, 115, 117, 118, 119,
&end
#
# 48 THR HB 48 THR HA 7.00 (# 4038:20 Preassigned 2.98, 3.01 A)
&rst
ixpk= 4038, nxpk= 20, iat= 722, 720, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 123 THR MG2 123 THR HB 4.00 (# 4041:20 Preassigned 2.39, 2.66 A)
&rst
ixpk= 4041, nxpk= 20, iat= -1,1948, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1=1950,1951,1952,
&end
#
# 0 AMB 20-2:4042 123 THR HB 5.50 (# 4042:20 Single Ambig )
&rst
ixpk= 4042, nxpk= 20, iat= -1,1948, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1876,1877,1876,1877,
&end
#
# 0 AMB 20-2:4043 123 THR HB 5.50 (# 4043:20 Single Ambig )
&rst
ixpk= 4043, nxpk= 20, iat= -1,1948, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1823,1946,
&end
#
# 131 LEU MDX 18 THR HB 5.50 (# 4044:20 Preassigned 2.18, 3.81 A)
&rst
ixpk= 4044, nxpk= 20, iat= -1, 270, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2077,2078,2079,2081,2082,2083,
&end
#
# 18 THR MG2 18 THR HB 4.00 (# 4045:20 Preassigned 2.37, 2.66 A)
&rst
ixpk= 4045, nxpk= 20, iat= -1, 270, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1= 272, 273, 274,
&end
#
# 0 AMB 20-2:4046 18 THR HB 5.50 (# 4046:20 Single Ambig )
&rst
ixpk= 4046, nxpk= 20, iat= -1, 270, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 268,2016,
&end
#
# 126 ALA HA 129 THR HB 4.00 (# 4047:20 Preassigned 2.90, 3.11 A)
&rst
ixpk= 4047, nxpk= 20, iat=1990,2039, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 18 THR HN 18 THR HB 5.50 (# 4048:20 Preassigned 2.38, 2.60 A)
&rst
ixpk= 4048, nxpk= 20, iat= 266, 270, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 19 ALA HN 18 THR HB 5.50 (# 4049:20 Preassigned 2.39, 2.49 A)
&rst
ixpk= 4049, nxpk= 20, iat= 280, 270, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 124 PHE HN 123 THR HB 5.50 (# 4050:20 Preassigned 2.56, 2.64 A)
&rst
ixpk= 4050, nxpk= 20, iat=1958,1948, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 123 THR HN 123 THR HB 5.50 (# 4051:20 Preassigned 2.58, 2.78 A)
&rst
ixpk= 4051, nxpk= 20, iat=1944,1948, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 138 TRP HE1 104 PHE HA 4.00 (# 4052:20 Preassigned 1.83, 2.27 A)
&rst
ixpk= 4052, nxpk= 20, iat=2198,1635, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 96 GLU HN 95 PRO HD- 5.50 (# 4053:20 Preassigned 2.79, 3.52 A)
&rst
ixpk= 4053, nxpk= 20, iat=1496, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1483,1484,
&end
#
# 39 ALA HN 38 GLY HA- 5.50 (# 4054:20 Preassigned 2.46, 3.09 A)
&rst
ixpk= 4054, nxpk= 20, iat= 601, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 596, 597,
&end
#
# 38 GLY HN 38 GLY HA- 5.50 (# 4055:20 Preassigned 2.46, 2.76 A)
&rst
ixpk= 4055, nxpk= 20, iat= 594, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 596, 597,
&end
#
# 62 GLY HN 62 GLY HA+ 5.50 (# 4056:20 Preassigned 2.27, 2.66 A)
&rst
ixpk= 4056, nxpk= 20, iat= 921, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 923, 924,
&end
#
# 63 HIS HN 62 GLY HA+ 6.00 (# 4057:20 Preassigned 2.14, 3.09 A)
&rst
ixpk= 4057, nxpk= 20, iat= 928, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 923, 924,
&end
#
# 44 GLY HN 44 GLY HA- 2.80 (# 4058:20 Preassigned 2.33, 2.68 A)
&rst
ixpk= 4058, nxpk= 20, iat= 675, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 677, 678,
&end
#
# 45 ALA HN 44 GLY HA- 4.00 (# 4059:20 Preassigned 2.39, 2.65 A)
&rst
ixpk= 4059, nxpk= 20, iat= 682, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2= 677, 678,
&end
#
# 96 GLU HN 96 GLU HG+ 5.50 (# 4060:20 Preassigned 1.92, 3.16 A)
&rst
ixpk= 4060, nxpk= 20, iat=1496, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1503,1504,
&end
#
# 34 SER HN 33 GLU HB- 6.00 (# 4061:20 Unique 2.13, 3.27 A)
&rst
ixpk= 4061, nxpk= 20, iat= 547, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 536, 537,
&end
#
# 24 GLN HN 24 GLN HB+ 5.50 (# 4064:20 Preassigned 2.08, 2.62 A)
&rst
ixpk= 4064, nxpk= 20, iat= 367, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 371, 372,
&end
#
# 138 TRP HN 138 TRP HB+ 5.50 (# 4068:20 Preassigned 2.15, 2.92 A)
&rst
ixpk= 4068, nxpk= 20, iat=2188, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2192,2193,
&end
#
# 139 ALA HN 138 TRP HB+ 7.00 (# 4069:20 Preassigned 2.68, 3.22 A)
&rst
ixpk= 4069, nxpk= 20, iat=2212, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=2192,2193,
&end
#
# 56 HIS HD2 56 HIS HB- 7.00 (# 4070:20 Preassigned 2.59, 3.39 A)
&rst
ixpk= 4070, nxpk= 20, iat= 836, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 827, 828,
&end
#
# 18 THR HN 17 PRO HG+ 5.50 (# 4071:20 Preassigned 2.19, 3.61 A)
&rst
ixpk= 4071, nxpk= 20, iat= 266, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 256, 257,
&end
#
# 101 VAL HA 79 ILE QG2 5.50 (# 4072:20 Preassigned 2.94, 4.26 A)
&rst
ixpk= 4072, nxpk= 20, iat=1583, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1211,1212,1213,
&end
#
# 107 TRP HD1 141 ALA MB 6.00 (# 4073:20 Preassigned 3.50, 6.45 A)
&rst
ixpk= 4073, nxpk= 20, iat=1685, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2=2243,2244,2245,
&end
#
# 48 THR MG2 51 SER HB- 6.00 (# 4075:20 Preassigned 3.39, 5.23 A)
&rst
ixpk= 4075, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 724, 725, 726,
igr2= 765, 766,
&end
#
# 48 THR MG2 51 SER HB+ 6.00 (# 4076:20 Preassigned 3.39, 5.23 A)
&rst
ixpk= 4076, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 724, 725, 726,
igr2= 765, 766,
&end
#
# 52 VAL MGY 51 SER HB+ 5.50 (# 4077:20 Preassigned 2.84, 5.35 A)
&rst
ixpk= 4077, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 778, 779, 780, 782, 783, 784,
igr2= 765, 766,
&end
#
# 132 GLU HG- 132 GLU HA 4.00 (# 4078:20 Preassigned 2.42, 2.95 A)
&rst
ixpk= 4078, nxpk= 20, iat= -1,2089, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=2094,2095,
&end
#
# 111 CYS HN 111 CYS HA 5.50 (# 4079:20 Preassigned 2.88, 2.95 A)
&rst
ixpk= 4079, nxpk= 20, iat=1742,1744, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:4080 139 ALA HA 5.50 (# 4080:20 Single Ambig )
&rst
ixpk= 4080, nxpk= 20, iat= -1,2214, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=2253,2254,2216,2217,2218,
&end
#
# 54 ALA MB 54 ALA HA 2.80 (# 4081:20 Preassigned 2.40, 2.65 A)
&rst
ixpk= 4081, nxpk= 20, iat= -1, 800, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 802, 803, 804,
&end
#
# 17 PRO HB- 17 PRO HD+ 7.00 (# 4083:20 Unique 2.78, 3.75 A)
&rst
ixpk= 4083, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 259, 260,
igr2= 253, 254,
&end
#
# 123 THR MG2 119 LYS HE+ 5.50 (# 4087:20 Preassigned 2.43, 4.80 A)
&rst
ixpk= 4087, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1950,1951,1952,
igr2=1885,1886,
&end
#
# 22 LEU MDY 131 LEU HB- 5.50 (# 4089:20 Preassigned 2.81, 6.83 A)
&rst
ixpk= 4089, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 338, 339, 340, 342, 343, 344,
igr2=2072,2073,
&end
#
# 0 AMB 20-2:4091 21 ARG HD- 7.00 (# 4091:20 Single Ambig )
&rst
ixpk= 4091, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.89, r4=12.64,
igr1= 896, 897, 898, 900, 901, 902, 896, 897, 898, 900,
901, 902,
igr2= 315, 316,
&end
#
# 76 TYR HE 0 AMB 20-1:4092 5.50 (# 4092:20 Single Ambig )
&rst
ixpk= 4092, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1163,1168,
igr2=1143,1144,1143,1144,
&end
#
# 41 VAL MGX 66 ARG HB- 6.00 (# 4094:20 Preassigned 3.45, 5.79 A)
&rst
ixpk= 4094, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 636, 637, 638, 640, 641, 642,
igr2= 970, 971,
&end
#
# 0 AMB 20-2:4096 0 AMB 20-1:4096 5.50 (# 4096:20 Double Ambig )
&rst
ixpk= 4096, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=2175,2176,2154,2155,
igr2=2178,2179,2178,2179,
&end
#
# 43 LYS HA 43 LYS HB+ 5.50 (# 4098:20 Preassigned 2.42, 2.79 A)
&rst
ixpk= 4098, nxpk= 20, iat= 655, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 657, 658,
&end
#
# 37 LEU MDX 86 HIS HB- 5.50 (# 4099:20 Preassigned 2.27, 5.25 A)
&rst
ixpk= 4099, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 584, 585, 586, 588, 589, 590,
igr2=1339,1340,
&end
#
# 0 AMB 20-2:4100 83 GLU HB- 5.50 (# 4100:20 Single Ambig )
&rst
ixpk= 4100, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1281,1282,1315,1316,
igr2=1278,1279,
&end
#
# 94 ALA MB 93 MET HG- 5.50 (# 4104:20 Preassigned 2.62, 6.58 A)
&rst
ixpk= 4104, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1476,1477,1478,
igr2=1462,1463,
&end
#
# 116 PRO HA 119 LYS HD- 5.50 (# 4107:20 Preassigned 2.29, 4.44 A)
&rst
ixpk= 4107, nxpk= 20, iat=1823, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1882,1883,
&end
#
# 132 GLU HA 132 GLU HB- 5.50 (# 4108:20 Preassigned 2.45, 2.78 A)
&rst
ixpk= 4108, nxpk= 20, iat=2089, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2091,2092,
&end
#
# 119 LYS HE+ 119 LYS HD- 4.00 (# 4109:20 Preassigned 2.38, 2.68 A)
&rst
ixpk= 4109, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=1885,1886,
igr2=1882,1883,
&end
#
# 141 ALA HN 140 GLN HB+ 5.50 (# 4110:20 Preassigned 2.66, 3.64 A)
&rst
ixpk= 4110, nxpk= 20, iat=2239, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2226,2227,
&end
#
# 140 GLN HN 140 GLN HB+ 4.00 (# 4111:20 Preassigned 2.09, 2.67 A)
&rst
ixpk= 4111, nxpk= 20, iat=2222, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2=2226,2227,
&end
#
# 0 AMB 20-2:4112 0 AMB 20-1:4112 4.00 (# 4112:20 Double Ambig )
&rst
ixpk= 4112, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
igr1=2224,1931,
igr2=2226,2227,1933,1934,
&end
#
# 5 ILE HB 5 ILE HG1- 4.00 (# 4113:20 Preassigned 2.36, 2.71 A)
&rst
ixpk= 4113, nxpk= 20, iat= 73, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2= 79, 80,
&end
#
# 47 PRO HB- 47 PRO HG+ 2.80 (# 4114:20 Preassigned 2.38, 2.63 A)
&rst
ixpk= 4114, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 711, 712,
igr2= 708, 709,
&end
#
# 85 ARG HD- 85 ARG HG- 4.00 (# 4119:20 Preassigned 2.28, 2.68 A)
&rst
ixpk= 4119, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=1321,1322,
igr2=1318,1319,
&end
#
# 85 ARG HD+ 85 ARG HG- 4.00 (# 4120:20 Preassigned 2.28, 2.68 A)
&rst
ixpk= 4120, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=1321,1322,
igr2=1318,1319,
&end
#
# 83 GLU HB+ 85 ARG HG- 5.50 (# 4121:20 Preassigned 2.33, 4.50 A)
&rst
ixpk= 4121, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1278,1279,
igr2=1318,1319,
&end
#
# 89 ARG HA 89 ARG HG+ 5.50 (# 4122:20 Preassigned 2.26, 3.01 A)
&rst
ixpk= 4122, nxpk= 20, iat=1388, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1393,1394,
&end
#
# 86 HIS HA 89 ARG HG+ 5.50 (# 4123:20 Preassigned 4.04, 4.79 A)
&rst
ixpk= 4123, nxpk= 20, iat=1337, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1393,1394,
&end
#
# 101 VAL HA 90 LEU MDX 6.00 (# 4124:20 Preassigned 4.29, 6.18 A)
&rst
ixpk= 4124, nxpk= 20, iat=1583, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2=1419,1420,1421,1423,1424,1425,
&end
#
# 35 ALA HA 66 ARG HG+ 6.00 (# 4126:20 Unique 2.22, 3.61 A)
&rst
ixpk= 4126, nxpk= 20, iat= 560, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 973, 974,
&end
#
# 76 TYR HE 6 LEU MDX 6.00 (# 4127:20 Preassigned 2.83, 4.86 A)
&rst
ixpk= 4127, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1163,1168,
igr2= 97, 98, 99, 101, 102, 103,
&end
#
# 22 LEU HG 22 LEU MDY 4.00 (# 4128:20 Preassigned 2.39, 2.66 A)
&rst
ixpk= 4128, nxpk= 20, iat= 336, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 43 LYS HA 43 LYS HG- 5.50 (# 4130:20 Preassigned 2.33, 2.89 A)
&rst
ixpk= 4130, nxpk= 20, iat= 655, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 660, 661,
&end
#
# 27 HIS HA 30 LEU MDX 6.00 (# 4132:20 Preassigned 4.07, 6.72 A)
&rst
ixpk= 4132, nxpk= 20, iat= 431, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 484, 485, 486, 488, 489, 490,
&end
#
# 89 ARG HD- 37 LEU MDX 6.00 (# 4133:20 Preassigned 2.45, 5.81 A)
&rst
ixpk= 4133, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1396,1397,
igr2= 584, 585, 586, 588, 589, 590,
&end
#
# 25 ARG HD- 22 LEU MDX 7.00 (# 4134:20 Preassigned 2.36, 6.11 A)
&rst
ixpk= 4134, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 394, 395,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 39 ALA HA 40 LEU MDY 6.00 (# 4135:20 Preassigned 3.23, 5.83 A)
&rst
ixpk= 4135, nxpk= 20, iat= 603, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 620, 621, 622, 624, 625, 626,
&end
#
# 21 ARG HB+ 58 LEU MDY 5.50 (# 4142:20 Preassigned 2.12, 3.64 A)
&rst
ixpk= 4142, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 309, 310,
igr2= 866, 867, 868, 870, 871, 872,
&end
#
# 130 LEU HB+ 130 LEU MDY 4.00 (# 4144:20 Preassigned 2.36, 3.36 A)
&rst
ixpk= 4144, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1=2053,2054,
igr2=2058,2059,2060,2062,2063,2064,
&end
#
# 0 AMB 20-2:4145 32 VAL MGX 2.80 (# 4145:20 Single Ambig )
&rst
ixpk= 4145, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 73, 352, 353,
igr2= 522, 523, 524, 526, 527, 528,
&end
#
# 104 PHE HB+ 7 VAL MGX 6.00 (# 4146:20 Unique 4.76, 7.82 A)
&rst
ixpk= 4146, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1637,1638,
igr2= 113, 114, 115, 117, 118, 119,
&end
#
# 0 AMB 20-2:4147 7 VAL MGX 7.00 (# 4147:20 Single Ambig )
&rst
ixpk= 4147, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 125, 518,
igr2= 113, 114, 115, 117, 118, 119,
&end
#
# 79 ILE HA 7 VAL MGX 6.00 (# 4148:20 Preassigned 4.81, 6.49 A)
&rst
ixpk= 4148, nxpk= 20, iat=1207, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 113, 114, 115, 117, 118, 119,
&end
#
# 111 CYS HA 103 LEU MDY 6.00 (# 4151:20 Preassigned 4.16, 6.43 A)
&rst
ixpk= 4151, nxpk= 20, iat=1744, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2=1623,1624,1625,1627,1628,1629,
&end
#
# 133 ARG HD+ 129 THR MG2 6.00 (# 4152:20 Preassigned 3.45, 6.40 A)
&rst
ixpk= 4152, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=2112,2113,
igr2=2041,2042,2043,
&end
#
# 132 GLU HG+ 129 THR MG2 6.00 (# 4153:20 Preassigned 5.04, 7.11 A)
&rst
ixpk= 4153, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=2094,2095,
igr2=2041,2042,2043,
&end
#
# 0 AMB 20-2:4155 19 ALA MB 5.50 (# 4155:20 Single Ambig )
&rst
ixpk= 4155, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2139,2070,
igr2= 284, 285, 286,
&end
#
# 18 THR HB 19 ALA MB 6.50 (# 4156:20 Preassigned 4.01, 4.83 A)
&rst
ixpk= 4156, nxpk= 20, iat= 270, -1, r1= 0.00, r2= 1.80, r3= 7.81, r4= 8.56,
igr2= 284, 285, 286,
&end
#
# 104 PHE HZ 5 ILE QG2 6.00 (# 4161:20 Unique 5.71, 6.41 A)
&rst
ixpk= 4161, nxpk= 20, iat=1645, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 75, 76, 77,
&end
#
# 6 LEU HA 5 ILE QG2 6.00 (# 4162:20 Preassigned 3.65, 4.86 A)
&rst
ixpk= 4162, nxpk= 20, iat= 90, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 75, 76, 77,
&end
#
# 59 SER HA 50 ILE QG2 5.50 (# 4163:20 Preassigned 3.99, 5.94 A)
&rst
ixpk= 4163, nxpk= 20, iat= 878, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 748, 749, 750,
&end
#
# 60 LEU HN 50 ILE QG2 6.00 (# 4164:20 Preassigned 3.14, 5.24 A)
&rst
ixpk= 4164, nxpk= 20, iat= 887, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 748, 749, 750,
&end
#
# 93 MET HA 93 MET ME 5.50 (# 4166:20 Preassigned 3.69, 5.10 A)
&rst
ixpk= 4166, nxpk= 20, iat=1457, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1466,1467,1468,
&end
#
# 90 LEU HA 93 MET ME 5.50 (# 4167:20 Preassigned 2.28, 4.97 A)
&rst
ixpk= 4167, nxpk= 20, iat=1412, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1466,1467,1468,
&end
#
# 70 ARG HA 93 MET ME 5.50 (# 4168:20 Preassigned 4.28, 6.11 A)
&rst
ixpk= 4168, nxpk= 20, iat=1039, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1466,1467,1468,
&end
#
# 93 MET HG- 93 MET ME 4.00 (# 4169:20 Preassigned 2.50, 3.72 A)
&rst
ixpk= 4169, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1=1462,1463,
igr2=1466,1467,1468,
&end
#
# 93 MET HG+ 93 MET ME 5.50 (# 4170:20 Preassigned 2.50, 3.72 A)
&rst
ixpk= 4170, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1462,1463,
igr2=1466,1467,1468,
&end
#
# 0 AMB 20-2:4171 93 MET ME 4.00 (# 4171:20 Single Ambig )
&rst
ixpk= 4171, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.27, r4= 8.02,
igr1=1419,1420,1421,1423,1424,1425, 584, 585, 586, 588,
589, 590,
igr2=1466,1467,1468,
&end
#
# 101 VAL HA 79 ILE QD1 5.50 (# 4176:20 Preassigned 3.82, 5.54 A)
&rst
ixpk= 4176, nxpk= 20, iat=1583, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1218,1219,1220,
&end
#
# 32 VAL HA 5 ILE QD1 6.00 (# 4177:20 Preassigned 4.25, 5.41 A)
&rst
ixpk= 4177, nxpk= 20, iat= 518, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 82, 83, 84,
&end
#
# 6 LEU MDY 79 ILE QD1 6.00 (# 4179:20 Preassigned 2.28, 5.66 A)
&rst
ixpk= 4179, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.71, r4=10.46,
igr1= 97, 98, 99, 101, 102, 103,
igr2=1218,1219,1220,
&end
#
# 6 LEU HA 5 ILE QD1 7.00 (# 4180:20 Preassigned 6.86, 7.60 A)
&rst
ixpk= 4180, nxpk= 20, iat= 90, -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr2= 82, 83, 84,
&end
#
# 114 PRO HD+ 113 ILE QD1 6.00 (# 4181:20 Preassigned 4.81, 6.01 A)
&rst
ixpk= 4181, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1788,1789,
igr2=1781,1782,1783,
&end
#
# 32 VAL MGY 32 VAL HA 2.80 (# 4182:20 Preassigned 2.26, 3.26 A)
&rst
ixpk= 4182, nxpk= 20, iat= -1, 518, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 522, 523, 524, 526, 527, 528,
&end
#
# 35 ALA MB 34 SER HA 6.00 (# 4184:20 Preassigned 4.27, 4.93 A)
&rst
ixpk= 4184, nxpk= 20, iat= -1, 549, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1= 562, 563, 564,
&end
#
# 32 VAL MGY 4 ASN HA 6.00 (# 4185:20 Preassigned 5.21, 7.11 A)
&rst
ixpk= 4185, nxpk= 20, iat= -1, 57, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 522, 523, 524, 526, 527, 528,
&end
#
# 0 AMB 20-2:4191 91 CYS HA 7.00 (# 4191:20 Single Ambig )
&rst
ixpk= 4191, nxpk= 20, iat= -1,1431, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1515,1516,1459,1460,
&end
#
# 22 LEU MDY 132 GLU HB- 5.50 (# 4192:20 Preassigned 2.31, 4.46 A)
&rst
ixpk= 4192, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 338, 339, 340, 342, 343, 344,
igr2=2091,2092,
&end
#
# 123 THR MG2 119 LYS HD- 5.50 (# 4194:20 Preassigned 2.34, 4.71 A)
&rst
ixpk= 4194, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1950,1951,1952,
igr2=1882,1883,
&end
#
# 119 LYS HG- 119 LYS HD- 5.50 (# 4195:20 Preassigned 2.29, 2.66 A)
&rst
ixpk= 4195, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1879,1880,
igr2=1882,1883,
&end
#
# 130 LEU HA 129 THR MG2 5.50 (# 4196:20 Preassigned 3.90, 5.03 A)
&rst
ixpk= 4196, nxpk= 20, iat=2051, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=2041,2042,2043,
&end
#
# 133 ARG HA 129 THR MG2 7.00 (# 4197:20 Preassigned 5.86, 6.87 A)
&rst
ixpk= 4197, nxpk= 20, iat=2104, -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr2=2041,2042,2043,
&end
#
# 79 ILE QG2 97 MET ME 5.50 (# 4198:20 Preassigned 3.17, 6.68 A)
&rst
ixpk= 4198, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1211,1212,1213,
igr2=1522,1523,1524,
&end
#
# 79 ILE HG1- 97 MET ME 5.50 (# 4199:20 Preassigned 2.21, 4.26 A)
&rst
ixpk= 4199, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1215,1216,
igr2=1522,1523,1524,
&end
#
# 0 AMB 20-2:4200 97 MET ME 5.50 (# 4200:20 Single Ambig )
&rst
ixpk= 4200, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.64, r4= 9.39,
igr1=1476,1477,1478,1190,1191,
igr2=1522,1523,1524,
&end
#
# 79 ILE HG1+ 97 MET ME 5.50 (# 4201:20 Preassigned 2.21, 4.26 A)
&rst
ixpk= 4201, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1215,1216,
igr2=1522,1523,1524,
&end
#
# 100 LYS HD+ 97 MET ME 5.50 (# 4202:20 Preassigned 2.43, 4.73 A)
&rst
ixpk= 4202, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1569,1570,
igr2=1522,1523,1524,
&end
#
# 30 LEU HB+ 1 MET ME 4.00 (# 4203:20 Unique 3.68, 7.43 A)
&rst
ixpk= 4203, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1= 479, 480,
igr2= 15, 16, 17,
&end
#
# 104 PHE HN 104 PHE HB+ 5.50 (# 4209:20 Preassigned 2.07, 2.80 A)
&rst
ixpk= 4209, nxpk= 20, iat=1633, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1637,1638,
&end
#
# 21 ARG HN 20 GLU HG- 7.00 (# 4210:20 Preassigned 2.08, 2.98 A)
&rst
ixpk= 4210, nxpk= 20, iat= 305, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 297, 298,
&end
#
# 20 GLU HN 20 GLU HG- 7.00 (# 4211:20 Preassigned 2.11, 3.42 A)
&rst
ixpk= 4211, nxpk= 20, iat= 290, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 297, 298,
&end
#
# 60 LEU HN 60 LEU HB- 7.00 (# 4214:20 Preassigned 2.18, 2.92 A)
&rst
ixpk= 4214, nxpk= 20, iat= 887, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 891, 892,
&end
#
# 88 GLU HA 0 AMB 20-1:4216 2.80 (# 4216:20 Single Ambig )
&rst
ixpk= 4216, nxpk= 20, iat=1373, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2=1375,1376,1375,1376,
&end
#
# 67 GLN HG- 67 GLN HB+ 5.50 (# 4218:20 Preassigned 2.33, 2.68 A)
&rst
ixpk= 4218, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 997, 998,
igr2= 994, 995,
&end
#
# 67 GLN HG- 67 GLN HB- 5.50 (# 4219:20 Preassigned 2.33, 2.68 A)
&rst
ixpk= 4219, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 997, 998,
igr2= 994, 995,
&end
#
# 67 GLN HG+ 67 GLN HB- 5.50 (# 4220:20 Preassigned 2.33, 2.68 A)
&rst
ixpk= 4220, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 997, 998,
igr2= 994, 995,
&end
#
# 80 LEU MDY 102 MET HG- 6.00 (# 4221:20 Preassigned 2.46, 6.05 A)
&rst
ixpk= 4221, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1233,1234,1235,1237,1238,1239,
igr2=1604,1605,
&end
#
# 102 MET HB- 102 MET HG+ 5.50 (# 4222:20 Preassigned 2.32, 2.73 A)
&rst
ixpk= 4222, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1601,1602,
igr2=1604,1605,
&end
#
# 1 MET HB+ 1 MET HG+ 2.80 (# 4223:20 Preassigned 2.31, 2.66 A)
&rst
ixpk= 4223, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 8, 9,
igr2= 11, 12,
&end
#
# 96 GLU HA 96 GLU HG+ 5.50 (# 4224:20 Preassigned 2.40, 3.57 A)
&rst
ixpk= 4224, nxpk= 20, iat=1498, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1503,1504,
&end
#
# 103 LEU MDX 110 GLU HG- 6.00 (# 4227:20 Preassigned 2.41, 6.12 A)
&rst
ixpk= 4227, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1623,1624,1625,1627,1628,1629,
igr2=1734,1735,
&end
#
# 103 LEU MDX 110 GLU HG+ 6.00 (# 4228:20 Preassigned 2.41, 6.12 A)
&rst
ixpk= 4228, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1623,1624,1625,1627,1628,1629,
igr2=1734,1735,
&end
#
# 0 AMB 20-2:4230 83 GLU HG- 5.50 (# 4230:20 Single Ambig )
&rst
ixpk= 4230, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1757,1758,1278,1279,
igr2=1281,1282,
&end
#
# 89 ARG HA 89 ARG HD+ 5.50 (# 4232:20 Preassigned 2.11, 3.70 A)
&rst
ixpk= 4232, nxpk= 20, iat=1388, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1396,1397,
&end
#
# 85 ARG HA 85 ARG HD+ 5.50 (# 4233:20 Preassigned 2.17, 4.51 A)
&rst
ixpk= 4233, nxpk= 20, iat=1313, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1321,1322,
&end
#
# 86 HIS HA 89 ARG HD+ 5.50 (# 4234:20 Preassigned 3.41, 5.04 A)
&rst
ixpk= 4234, nxpk= 20, iat=1337, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1396,1397,
&end
#
# 0 AMB 20-2:4236 71 ARG HA 4.00 (# 4236:20 Single Ambig )
&rst
ixpk= 4236, nxpk= 20, iat= -1,1063, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=1071,1072,1125,1126,
&end
#
# 128 TYR HB+ 18 THR MG2 6.00 (# 4240:20 Unique 3.03, 5.11 A)
&rst
ixpk= 4240, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=2018,2019,
igr2= 272, 273, 274,
&end
#
# 50 ILE HB 50 ILE HG1- 5.50 (# 4242:20 Preassigned 2.50, 2.80 A)
&rst
ixpk= 4242, nxpk= 20, iat= 746, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 752, 753,
&end
#
# 45 ALA MB 50 ILE HG1- 6.00 (# 4243:20 Preassigned 2.46, 3.57 A)
&rst
ixpk= 4243, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 686, 687, 688,
igr2= 752, 753,
&end
#
# 0 AMB 20-2:4244 50 ILE HG1- 5.50 (# 4244:20 Single Ambig )
&rst
ixpk= 4244, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 896, 897, 898, 900, 901, 902, 896, 897, 898, 900,
901, 902,
igr2= 752, 753,
&end
#
# 50 ILE HA 50 ILE HG1- 5.50 (# 4245:20 Preassigned 2.43, 2.73 A)
&rst
ixpk= 4245, nxpk= 20, iat= 744, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 752, 753,
&end
#
# 88 GLU HN 87 ILE HA 6.00 (# 4246:20 Preassigned 3.54, 3.60 A)
&rst
ixpk= 4246, nxpk= 20, iat=1371,1354, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 104 PHE HN 103 LEU MDX 6.00 (# 4247:20 Preassigned 2.25, 4.61 A)
&rst
ixpk= 4247, nxpk= 20, iat=1633, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2=1623,1624,1625,1627,1628,1629,
&end
#
# 136 ARG HA 135 ALA MB 6.00 (# 4248:20 Preassigned 4.29, 4.86 A)
&rst
ixpk= 4248, nxpk= 20, iat=2149, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2=2141,2142,2143,
&end
#
# 47 PRO HD+ 47 PRO HB- 7.00 (# 4249:20 Preassigned 2.84, 3.68 A)
&rst
ixpk= 4249, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 705, 706,
igr2= 711, 712,
&end
#
# 21 ARG HE 60 LEU MDY 5.50 (# 4251:20 Preassigned 2.82, 5.85 A)
&rst
ixpk= 4251, nxpk= 20, iat= 318, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 896, 897, 898, 900, 901, 902,
&end
#
# 59 SER HN 60 LEU MDY 6.00 (# 4252:20 Preassigned 4.63, 7.45 A)
&rst
ixpk= 4252, nxpk= 20, iat= 876, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 896, 897, 898, 900, 901, 902,
&end
#
# 86 HIS HA 86 HIS HB- 5.50 (# 4254:20 Preassigned 2.38, 2.74 A)
&rst
ixpk= 4254, nxpk= 20, iat=1337, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1339,1340,
&end
#
# 103 LEU MDX 112 GLU HG+ 5.50 (# 4256:20 Preassigned 2.86, 6.32 A)
&rst
ixpk= 4256, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1623,1624,1625,1627,1628,1629,
igr2=1760,1761,
&end
#
# 103 LEU MDY 112 GLU HG+ 5.50 (# 4257:20 Preassigned 2.86, 6.32 A)
&rst
ixpk= 4257, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1623,1624,1625,1627,1628,1629,
igr2=1760,1761,
&end
#
# 132 GLU HG+ 22 LEU MDY 6.00 (# 4259:20 Preassigned 2.19, 4.11 A)
&rst
ixpk= 4259, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=2094,2095,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 21 ARG HN 19 ALA HA 6.00 (# 4260:20 Preassigned 4.51, 4.61 A)
&rst
ixpk= 4260, nxpk= 20, iat= 305, 282, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 65 ALA HN 41 VAL HA 6.00 (# 4261:20 Preassigned 3.74, 4.48 A)
&rst
ixpk= 4261, nxpk= 20, iat= 956, 632, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 115 ASP HN 115 ASP HA 5.50 (# 4262:20 Preassigned 2.93, 2.98 A)
&rst
ixpk= 4262, nxpk= 20, iat=1801,1803, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 36 GLY HA+ 8 VAL MGY 6.00 (# 4265:20 Preassigned 2.34, 5.36 A)
&rst
ixpk= 4265, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 570, 571,
igr2= 129, 130, 131, 133, 134, 135,
&end
#
# 105 GLY HN 105 GLY HA+ 5.50 (# 4268:20 Preassigned 2.26, 2.58 A)
&rst
ixpk= 4268, nxpk= 20, iat=1653, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1655,1656,
&end
#
# 0 AMB 20-2:4269 0 AMB 20-1:4269 5.50 (# 4269:20 Double Ambig )
&rst
ixpk= 4269, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1701,1660,
igr2=1655,1656,1655,1656,
&end
#
# 111 CYS HN 105 GLY HA+ 6.00 (# 4270:20 Preassigned 2.49, 3.91 A)
&rst
ixpk= 4270, nxpk= 20, iat=1742, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1655,1656,
&end
#
# 0 AMB 20-2:4271 105 GLY HA- 7.00 (# 4271:20 Single Ambig )
&rst
ixpk= 4271, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1701,1660,
igr2=1655,1656,
&end
#
# 90 LEU HN 87 ILE HA 6.00 (# 4273:20 Preassigned 3.73, 4.14 A)
&rst
ixpk= 4273, nxpk= 20, iat=1410,1354, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 20-2:4275 6 LEU MDY 7.00 (# 4275:20 Single Ambig )
&rst
ixpk= 4275, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.89, r4=12.64,
igr1= 551, 552, 551, 552,
igr2= 97, 98, 99, 101, 102, 103,
&end
#
# 77 ASP HN 97 MET ME 7.00 (# 4277:20 Preassigned 4.29, 5.73 A)
&rst
ixpk= 4277, nxpk= 20, iat=1174, -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr2=1522,1523,1524,
&end
#
# 101 VAL HA 97 MET ME 7.00 (# 4278:20 Preassigned 4.15, 6.31 A)
&rst
ixpk= 4278, nxpk= 20, iat=1583, -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr2=1522,1523,1524,
&end
#
# 98 ARG HA 97 MET ME 7.00 (# 4279:20 Preassigned 4.26, 6.93 A)
&rst
ixpk= 4279, nxpk= 20, iat=1530, -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr2=1522,1523,1524,
&end
#
# 97 MET HG- 97 MET ME 2.80 (# 4280:20 Preassigned 2.54, 3.64 A)
&rst
ixpk= 4280, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1518,1519,
igr2=1522,1523,1524,
&end
#
# 73 CYS HB+ 97 MET ME 5.50 (# 4281:20 Preassigned 2.25, 5.32 A)
&rst
ixpk= 4281, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1108,1109,
igr2=1522,1523,1524,
&end
#
# 0 AMB 20-2:4282 97 MET ME 4.00 (# 4282:20 Single Ambig )
&rst
ixpk= 4282, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1=1572,1573,1572,1573,
igr2=1522,1523,1524,
&end
#
# 78 LEU MDY 102 MET ME 5.50 (# 4283:20 Preassigned 2.12, 4.10 A)
&rst
ixpk= 4283, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1195,1196,1197,1199,1200,1201,
igr2=1608,1609,1610,
&end
#
# 78 LEU HG 102 MET ME 4.00 (# 4284:20 Preassigned 2.43, 4.73 A)
&rst
ixpk= 4284, nxpk= 20, iat=1193, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2=1608,1609,1610,
&end
#
# 0 AMB 20-2:4285 102 MET ME 4.00 (# 4285:20 Single Ambig )
&rst
ixpk= 4285, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1=1601,1602,1604,1605,
igr2=1608,1609,1610,
&end
#
# 102 MET HG- 102 MET ME 4.00 (# 4286:20 Preassigned 2.40, 3.62 A)
&rst
ixpk= 4286, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1=1604,1605,
igr2=1608,1609,1610,
&end
#
# 106 HIS HB+ 102 MET ME 5.50 (# 4287:20 Unique 5.90, 7.26 A)
&rst
ixpk= 4287, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1664,1665,
igr2=1608,1609,1610,
&end
#
# 107 TRP HE1 102 MET ME 7.00 (# 4288:20 Preassigned 4.82, 6.45 A)
&rst
ixpk= 4288, nxpk= 20, iat=1687, -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr2=1608,1609,1610,
&end
#
# 138 TRP HH2 102 MET ME 7.00 (# 4291:20 Preassigned 2.33, 3.51 A)
&rst
ixpk= 4291, nxpk= 20, iat=2203, -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr2=1608,1609,1610,
&end
#
# 80 LEU MDY 102 MET ME 5.50 (# 4294:20 Preassigned 2.34, 5.48 A)
&rst
ixpk= 4294, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1233,1234,1235,1237,1238,1239,
igr2=1608,1609,1610,
&end
#
# 78 LEU MDX 102 MET ME 5.50 (# 4295:20 Preassigned 2.12, 4.10 A)
&rst
ixpk= 4295, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1195,1196,1197,1199,1200,1201,
igr2=1608,1609,1610,
&end
#
# 49 ALA HN 48 THR HA 6.00 (# 4298:20 Unique 3.56, 3.58 A)
&rst
ixpk= 4298, nxpk= 20, iat= 732, 720, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 52 VAL HA 55 GLU HG- 5.50 (# 4299:20 Preassigned 3.36, 4.67 A)
&rst
ixpk= 4299, nxpk= 20, iat= 774, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 815, 816,
&end
#
# 52 VAL HA 55 GLU HG+ 5.50 (# 4300:20 Preassigned 3.36, 4.67 A)
&rst
ixpk= 4300, nxpk= 20, iat= 774, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 815, 816,
&end
#
# 25 ARG HG+ 26 TYR HA 7.00 (# 4301:20 Preassigned 3.46, 4.95 A)
&rst
ixpk= 4301, nxpk= 20, iat= -1, 410, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 391, 392,
&end
#
# 0 AMB 20-2:4302 96 GLU HA 5.50 (# 4302:20 Single Ambig )
&rst
ixpk= 4302, nxpk= 20, iat= -1,1498, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1500,1501,1503,1504,
&end
#
# 65 ALA MB 64 CYS HA 5.50 (# 4303:20 Preassigned 4.38, 4.98 A)
&rst
ixpk= 4303, nxpk= 20, iat= -1, 947, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 960, 961, 962,
&end
#
# 93 MET HN 92 GLU HB- 5.50 (# 4307:20 Preassigned 2.50, 3.25 A)
&rst
ixpk= 4307, nxpk= 20, iat=1455, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1444,1445,
&end
#
# 0 AMB 20-2:4308 66 ARG HA 7.00 (# 4308:20 Single Ambig )
&rst
ixpk= 4308, nxpk= 20, iat= -1, 968, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 646, 568,
&end
#
# 0 AMB 20-2:4309 144 ALA HA 7.00 (# 4309:20 Single Ambig )
&rst
ixpk= 4309, nxpk= 20, iat= -1,2284, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=2314,2315,2314,2315,
&end
#
# 145 GLU HB+ 144 ALA HA 7.00 (# 4311:20 Unique 4.11, 5.15 A)
&rst
ixpk= 4311, nxpk= 20, iat= -1,2284, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=2296,2297,
&end
#
# 113 ILE HG1+ 82 MET HA 6.00 (# 4317:20 Unique 3.09, 4.54 A)
&rst
ixpk= 4317, nxpk= 20, iat= -1,1259, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1778,1779,
&end
#
# 112 GLU HB- 82 MET HA 6.00 (# 4318:20 Preassigned 4.96, 5.98 A)
&rst
ixpk= 4318, nxpk= 20, iat= -1,1259, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1757,1758,
&end
#
# 43 LYS HA 43 LYS HE+ 7.00 (# 4319:20 Preassigned 3.58, 5.28 A)
&rst
ixpk= 4319, nxpk= 20, iat= 655, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 666, 667,
&end
#
# 0 AMB 20-2:4320 43 LYS HE- 7.00 (# 4320:20 Single Ambig )
&rst
ixpk= 4320, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 655, 684,
igr2= 666, 667,
&end
#
# 106 HIS HB- 103 LEU HB- 6.00 (# 4322:20 Preassigned 2.47, 4.84 A)
&rst
ixpk= 4322, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1664,1665,
igr2=1618,1619,
&end
#
# 106 HIS HB- 103 LEU HB+ 6.00 (# 4323:20 Preassigned 2.47, 4.84 A)
&rst
ixpk= 4323, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1664,1665,
igr2=1618,1619,
&end
#
# 27 HIS HD2 26 TYR HB- 6.00 (# 4324:20 Preassigned 2.63, 4.89 A)
&rst
ixpk= 4324, nxpk= 20, iat= 442, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 412, 413,
&end
#
# 45 ALA MB 0 AMB 20-1:4331 5.50 (# 4331:20 Single Ambig )
&rst
ixpk= 4331, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 686, 687, 688,
igr2= 913, 914, 913, 914,
&end
#
# 87 ILE QG2 88 GLU HG+ 5.50 (# 4333:20 Preassigned 3.90, 6.35 A)
&rst
ixpk= 4333, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1358,1359,1360,
igr2=1378,1379,
&end
#
# 56 HIS HA 57 GLN HG+ 7.00 (# 4334:20 Preassigned 3.29, 4.91 A)
&rst
ixpk= 4334, nxpk= 20, iat= 825, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 847, 848,
&end
#
# 56 HIS HA 57 GLN HG- 7.00 (# 4335:20 Preassigned 3.29, 4.91 A)
&rst
ixpk= 4335, nxpk= 20, iat= 825, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 847, 848,
&end
#
# 90 LEU HA 93 MET HB- 5.50 (# 4336:20 Preassigned 2.30, 3.36 A)
&rst
ixpk= 4336, nxpk= 20, iat=1412, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1459,1460,
&end
#
# 137 GLN HA 140 GLN HG- 5.50 (# 4337:20 Unique 2.32, 3.94 A)
&rst
ixpk= 4337, nxpk= 20, iat=2173, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2229,2230,
&end
#
# 50 ILE HN 47 PRO HB+ 6.00 (# 4338:20 Preassigned 5.25, 5.46 A)
&rst
ixpk= 4338, nxpk= 20, iat= 742, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 711, 712,
&end
#
# 27 HIS HA 28 PRO HB+ 6.00 (# 4339:20 Preassigned 4.97, 5.43 A)
&rst
ixpk= 4339, nxpk= 20, iat= 431, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 453, 454,
&end
#
# 103 LEU HB+ 106 HIS HB- 6.00 (# 4340:20 Preassigned 2.47, 4.84 A)
&rst
ixpk= 4340, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1618,1619,
igr2=1664,1665,
&end
#
# 63 HIS HD2 63 HIS HB- 7.00 (# 4341:20 Preassigned 2.60, 3.32 A)
&rst
ixpk= 4341, nxpk= 20, iat= 941, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 932, 933,
&end
#
# 63 HIS HD1 63 HIS HB- 7.00 (# 4342:20 Preassigned 2.59, 3.22 A)
&rst
ixpk= 4342, nxpk= 20, iat= 936, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 932, 933,
&end
#
# 39 ALA MB 67 GLN HG+ 5.50 (# 4344:20 Preassigned 2.46, 5.30 A)
&rst
ixpk= 4344, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 605, 606, 607,
igr2= 997, 998,
&end
#
# 20 GLU HA 20 GLU HB+ 5.50 (# 4345:20 Preassigned 2.29, 2.49 A)
&rst
ixpk= 4345, nxpk= 20, iat= 292, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 294, 295,
&end
#
# 87 ILE HB 87 ILE HG1- 7.00 (# 4348:20 Preassigned 2.37, 2.46 A)
&rst
ixpk= 4348, nxpk= 20, iat=1356, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1362,1363,
&end
#
# 85 ARG HD- 85 ARG HB+ 5.50 (# 4349:20 Preassigned 2.25, 3.15 A)
&rst
ixpk= 4349, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1321,1322,
igr2=1315,1316,
&end
#
# 85 ARG HD+ 85 ARG HB+ 5.50 (# 4350:20 Preassigned 2.25, 3.15 A)
&rst
ixpk= 4350, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1321,1322,
igr2=1315,1316,
&end
#
# 85 ARG HD+ 85 ARG HB- 5.50 (# 4351:20 Preassigned 2.25, 3.15 A)
&rst
ixpk= 4351, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1321,1322,
igr2=1315,1316,
&end
#
# 0 AMB 20-2:4352 0 AMB 20-1:4352 4.00 (# 4352:20 Double Ambig )
&rst
ixpk= 4352, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
igr1=1321,1322,1915,1916,
igr2=1315,1316,1909,1910,
&end
#
# 85 ARG HA 85 ARG HG- 5.50 (# 4353:20 Preassigned 2.52, 3.30 A)
&rst
ixpk= 4353, nxpk= 20, iat=1313, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1318,1319,
&end
#
# 111 CYS HN 0 AMB 20-1:4354 7.00 (# 4354:20 Single Ambig )
&rst
ixpk= 4354, nxpk= 20, iat=1742, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr2=1731,1732,1731,1732,
&end
#
# 116 PRO HA 119 LYS HG- 7.00 (# 4356:20 Preassigned 2.23, 4.28 A)
&rst
ixpk= 4356, nxpk= 20, iat=1823, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1879,1880,
&end
#
# 80 LEU HA 78 LEU MDX 6.00 (# 4357:20 Preassigned 4.39, 6.50 A)
&rst
ixpk= 4357, nxpk= 20, iat=1226, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2=1195,1196,1197,1199,1200,1201,
&end
#
# 5 ILE HA 78 LEU MDX 6.00 (# 4358:20 Preassigned 3.64, 5.77 A)
&rst
ixpk= 4358, nxpk= 20, iat= 71, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2=1195,1196,1197,1199,1200,1201,
&end
#
# 32 VAL HN 31 LYS HG- 7.00 (# 4359:20 Preassigned 2.40, 3.83 A)
&rst
ixpk= 4359, nxpk= 20, iat= 516, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 501, 502,
&end
#
# 31 LYS HN 31 LYS HG- 7.00 (# 4360:20 Preassigned 2.21, 3.87 A)
&rst
ixpk= 4360, nxpk= 20, iat= 494, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 501, 502,
&end
#
# 102 MET HG- 78 LEU MDX 6.00 (# 4361:20 Preassigned 2.52, 5.87 A)
&rst
ixpk= 4361, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1604,1605,
igr2=1195,1196,1197,1199,1200,1201,
&end
#
# 102 MET ME 78 LEU MDX 7.00 (# 4362:20 Preassigned 2.12, 4.10 A)
&rst
ixpk= 4362, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.33, r4=12.08,
igr1=1608,1609,1610,
igr2=1195,1196,1197,1199,1200,1201,
&end
#
# 104 PHE HZ 23 LEU MDY 5.50 (# 4363:20 Preassigned 2.19, 4.02 A)
&rst
ixpk= 4363, nxpk= 20, iat=1645, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 357, 358, 359, 361, 362, 363,
&end
#
# 104 PHE HN 80 LEU MDY 6.00 (# 4364:20 Preassigned 4.50, 6.60 A)
&rst
ixpk= 4364, nxpk= 20, iat=1633, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2=1233,1234,1235,1237,1238,1239,
&end
#
# 58 LEU MDX 58 LEU HG 4.00 (# 4365:20 Preassigned 2.33, 2.65 A)
&rst
ixpk= 4365, nxpk= 20, iat= -1, 864, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1= 866, 867, 868, 870, 871, 872,
&end
#
# 58 LEU HB+ 58 LEU HG 5.50 (# 4366:20 Preassigned 2.18, 2.67 A)
&rst
ixpk= 4366, nxpk= 20, iat= -1, 864, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 861, 862,
&end
#
# 58 LEU MDY 58 LEU HG 4.00 (# 4367:20 Preassigned 2.33, 2.65 A)
&rst
ixpk= 4367, nxpk= 20, iat= -1, 864, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1= 866, 867, 868, 870, 871, 872,
&end
#
# 60 LEU MDY 58 LEU HG 6.00 (# 4368:20 Preassigned 3.14, 6.43 A)
&rst
ixpk= 4368, nxpk= 20, iat= -1, 864, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 896, 897, 898, 900, 901, 902,
&end
#
# 122 GLU HG+ 123 THR MG2 6.00 (# 4371:20 Unique 5.15, 7.51 A)
&rst
ixpk= 4371, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1936,1937,
igr2=1950,1951,1952,
&end
#
# 138 TRP HZ2 141 ALA MB 7.00 (# 4372:20 Preassigned 6.14, 7.07 A)
&rst
ixpk= 4372, nxpk= 20, iat=2201, -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr2=2243,2244,2245,
&end
#
# 22 LEU HG 18 THR HA 6.00 (# 4376:20 Preassigned 3.49, 4.07 A)
&rst
ixpk= 4376, nxpk= 20, iat= 336, 268, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 126 ALA MB 127 VAL HA 6.00 (# 4379:20 Preassigned 4.35, 4.86 A)
&rst
ixpk= 4379, nxpk= 20, iat= -1,2000, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1=1992,1993,1994,
&end
#
# 7 VAL MGY 16 SER HB- 6.00 (# 4380:20 Preassigned 2.14, 5.06 A)
&rst
ixpk= 4380, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 113, 114, 115, 117, 118, 119,
igr2= 245, 246,
&end
#
# 104 PHE HA 104 PHE HB+ 5.50 (# 4381:20 Preassigned 2.56, 2.83 A)
&rst
ixpk= 4381, nxpk= 20, iat=1635, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1637,1638,
&end
#
# 104 PHE HA 104 PHE HB- 5.50 (# 4382:20 Preassigned 2.56, 2.83 A)
&rst
ixpk= 4382, nxpk= 20, iat=1635, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1637,1638,
&end
#
# 113 ILE QD1 104 PHE HB+ 5.50 (# 4383:20 Preassigned 2.17, 3.37 A)
&rst
ixpk= 4383, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1781,1782,1783,
igr2=1637,1638,
&end
#
# 82 MET ME 104 PHE HB+ 7.00 (# 4384:20 Preassigned 2.78, 4.61 A)
&rst
ixpk= 4384, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1=1268,1269,1270,
igr2=1637,1638,
&end
#
# 107 TRP HD1 107 TRP HB- 5.50 (# 4385:20 Preassigned 2.50, 3.11 A)
&rst
ixpk= 4385, nxpk= 20, iat=1685, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1681,1682,
&end
#
# 105 GLY HA+ 111 CYS HB+ 5.50 (# 4386:20 Preassigned 2.18, 5.07 A)
&rst
ixpk= 4386, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1655,1656,
igr2=1746,1747,
&end
#
# 107 TRP HA 107 TRP HB- 5.50 (# 4388:20 Preassigned 2.31, 2.72 A)
&rst
ixpk= 4388, nxpk= 20, iat=1679, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1681,1682,
&end
#
# 107 TRP HN 107 TRP HB+ 7.00 (# 4389:20 Preassigned 2.37, 3.10 A)
&rst
ixpk= 4389, nxpk= 20, iat=1677, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1681,1682,
&end
#
# 107 TRP HN 107 TRP HB- 7.00 (# 4390:20 Preassigned 2.37, 3.10 A)
&rst
ixpk= 4390, nxpk= 20, iat=1677, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1681,1682,
&end
#
# 138 TRP HA 138 TRP HB+ 5.50 (# 4391:20 Preassigned 2.55, 2.83 A)
&rst
ixpk= 4391, nxpk= 20, iat=2190, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2192,2193,
&end
#
# 135 ALA HA 138 TRP HB+ 6.00 (# 4392:20 Preassigned 2.54, 3.52 A)
&rst
ixpk= 4392, nxpk= 20, iat=2139, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=2192,2193,
&end
#
# 142 LEU MDX 138 TRP HB+ 6.00 (# 4394:20 Preassigned 3.41, 6.12 A)
&rst
ixpk= 4394, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=2258,2259,2260,2262,2263,2264,
igr2=2192,2193,
&end
#
# 142 LEU MDX 138 TRP HB- 5.50 (# 4395:20 Preassigned 3.41, 6.12 A)
&rst
ixpk= 4395, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2258,2259,2260,2262,2263,2264,
igr2=2192,2193,
&end
#
# 141 ALA HN 138 TRP HB- 6.00 (# 4396:20 Preassigned 4.97, 5.32 A)
&rst
ixpk= 4396, nxpk= 20, iat=2239, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=2192,2193,
&end
#
# 113 ILE HN 112 GLU HG+ 7.00 (# 4397:20 Preassigned 2.90, 4.50 A)
&rst
ixpk= 4397, nxpk= 20, iat=1768, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1760,1761,
&end
#
# 52 VAL HN 54 ALA MB 6.00 (# 4398:20 Preassigned 5.12, 6.32 A)
&rst
ixpk= 4398, nxpk= 20, iat= 772, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 802, 803, 804,
&end
#
# 60 LEU HN 54 ALA MB 6.00 (# 4399:20 Preassigned 3.66, 5.54 A)
&rst
ixpk= 4399, nxpk= 20, iat= 887, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 802, 803, 804,
&end
#
# 21 ARG HN 21 ARG HD+ 7.00 (# 4400:20 Preassigned 3.23, 4.18 A)
&rst
ixpk= 4400, nxpk= 20, iat= 305, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 315, 316,
&end
#
# 83 GLU HA 83 GLU HB- 7.00 (# 4403:20 Preassigned 2.35, 2.69 A)
&rst
ixpk= 4403, nxpk= 20, iat=1276, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1278,1279,
&end
#
# 124 PHE HA 124 PHE HB- 5.50 (# 4404:20 Preassigned 2.61, 2.84 A)
&rst
ixpk= 4404, nxpk= 20, iat=1960, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1962,1963,
&end
#
# 138 TRP HE3 141 ALA MB 7.00 (# 4410:20 Unique 2.23, 3.43 A)
&rst
ixpk= 4410, nxpk= 20, iat=2207, -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr2=2243,2244,2245,
&end
#
# 0 AMB 20-2:4411 141 ALA MB 5.50 (# 4411:20 Single Ambig )
&rst
ixpk= 4411, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2268,2171,
igr2=2243,2244,2245,
&end
#
# 30 LEU MDX 0 AMB 20-1:4414 7.00 (# 4414:20 Single Ambig )
&rst
ixpk= 4414, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.89, r4=12.64,
igr1= 484, 485, 486, 488, 489, 490,
igr2= 45, 46, 45, 46,
&end
#
# 80 LEU MDY 5 ILE QD1 6.00 (# 4415:20 Preassigned 3.80, 7.47 A)
&rst
ixpk= 4415, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.71, r4=10.46,
igr1=1233,1234,1235,1237,1238,1239,
igr2= 82, 83, 84,
&end
#
# 30 LEU MDY 27 HIS HB- 6.00 (# 4416:20 Preassigned 2.34, 4.98 A)
&rst
ixpk= 4416, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 484, 485, 486, 488, 489, 490,
igr2= 433, 434,
&end
#
# 6 LEU MDX 68 ILE HG1- 6.00 (# 4417:20 Preassigned 3.15, 6.11 A)
&rst
ixpk= 4417, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 97, 98, 99, 101, 102, 103,
igr2=1017,1018,
&end
#
# 6 LEU MDX 68 ILE HG1+ 6.00 (# 4418:20 Preassigned 3.15, 6.11 A)
&rst
ixpk= 4418, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 97, 98, 99, 101, 102, 103,
igr2=1017,1018,
&end
#
# 21 ARG HN 58 LEU MDX 6.00 (# 4420:20 Preassigned 3.82, 5.78 A)
&rst
ixpk= 4420, nxpk= 20, iat= 305, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 866, 867, 868, 870, 871, 872,
&end
#
# 56 HIS HB+ 53 ALA HA 6.00 (# 4421:20 Preassigned 2.35, 3.64 A)
&rst
ixpk= 4421, nxpk= 20, iat= -1, 790, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 827, 828,
&end
#
# 56 HIS HB- 53 ALA HA 6.00 (# 4422:20 Preassigned 2.35, 3.64 A)
&rst
ixpk= 4422, nxpk= 20, iat= -1, 790, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 827, 828,
&end
#
# 76 TYR HD 6 LEU MDX 7.00 (# 4424:20 Preassigned 2.31, 4.68 A)
&rst
ixpk= 4424, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1=1161,1170,
igr2= 97, 98, 99, 101, 102, 103,
&end
#
# 67 GLN HE2+ 39 ALA MB 6.00 (# 4426:20 Preassigned 5.07, 6.51 A)
&rst
ixpk= 4426, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1002,1003,
igr2= 605, 606, 607,
&end
#
# 119 LYS HE+ 116 PRO HA 6.00 (# 4428:20 Preassigned 2.43, 4.61 A)
&rst
ixpk= 4428, nxpk= 20, iat= -1,1823, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1885,1886,
&end
#
# 117 TYR HN 116 PRO HA 6.00 (# 4430:20 Preassigned 2.19, 3.41 A)
&rst
ixpk= 4430, nxpk= 20, iat=1827,1823, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 78 LEU MDY 100 LYS HB+ 6.00 (# 4432:20 Preassigned 2.48, 6.24 A)
&rst
ixpk= 4432, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1195,1196,1197,1199,1200,1201,
igr2=1563,1564,
&end
#
# 78 LEU MDY 100 LYS HB+ 6.00 (# 4433:20 Preassigned 2.48, 6.24 A)
&rst
ixpk= 4433, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1195,1196,1197,1199,1200,1201,
igr2=1563,1564,
&end
#
# 84 LYS HN 84 LYS HE+ 7.00 (# 4436:20 Preassigned 2.92, 4.83 A)
&rst
ixpk= 4436, nxpk= 20, iat=1289, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1302,1303,
&end
#
# 7 VAL HA 8 VAL HB 7.00 (# 4437:20 Preassigned 4.40, 4.66 A)
&rst
ixpk= 4437, nxpk= 20, iat= 109, 127, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 64 CYS HN 64 CYS HB- 7.00 (# 4440:20 Unique 2.75, 3.33 A)
&rst
ixpk= 4440, nxpk= 20, iat= 945, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 949, 950,
&end
#
# 109 ASN HB- 110 GLU HG+ 6.00 (# 4445:20 Unique 4.97, 7.38 A)
&rst
ixpk= 4445, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1717,1718,
igr2=1734,1735,
&end
#
# 111 CYS HB+ 110 GLU HG- 6.00 (# 4446:20 Unique 6.16, 7.55 A)
&rst
ixpk= 4446, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1746,1747,
igr2=1734,1735,
&end
#
# 118 ARG HA 118 ARG HG+ 5.50 (# 4447:20 Unique 2.46, 3.14 A)
&rst
ixpk= 4447, nxpk= 20, iat=1850, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1855,1856,
&end
#
# 0 AMB 20-2:4449 127 VAL MGY 5.50 (# 4449:20 Single Ambig )
&rst
ixpk= 4449, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1960,1788,1789,
igr2=2004,2005,2006,2008,2009,2010,
&end
********************************************************************
loop retrtains
********************************************************************
#
# 12 ASN QB 36 GLY QA 6 (# 6:10 )
&rst
ixpk= 6, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
igr1= 177, 178,
igr2= 570, 571,
&end
#
# 40 LEU HG 11 GLY QA 5.5
&rst
ixpk= 6, nxpk= 10, iat= 618, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 168, 169,
&end
#
# 40 LEU QD 11 GLY QA 5.5
&rst
ixpk= 6, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 620, 621, 622, 624, 625, 626,
igr2= 168, 169,
&end
#
# 13 ILE HB 46 ASP- QB 6.0
&rst
ixpk= 6, nxpk= 10, iat= 191, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 696, 697,
&end
#
# 12 ASN QB 39 ALA HA 5.5
&rst
ixpk= 6, nxpk= 10, iat= -1, 603, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 177, 178,
&end
#
# 12 ASN QB 36 GLY HN 5.50 (# 6:10 )
&rst
ixpk= 6, nxpk= 10, iat= -1, 568, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 177, 178,
&end
#
# 12 ASN QB 36 GLY HN 5.50 (# 8:10 )
&rst
ixpk= 8, nxpk= 10, iat= -1, 568, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 177, 178,
&end
#
# 13 ILE QG2 65 ALA HN 5.50 (# 19:10 )
&rst
ixpk= 19, nxpk= 10, iat= -1, 956, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 193, 194, 195,
&end
#
# 8 VAL HN 9 CYS HN 5.50 (# 247:10 )
&rst
ixpk= 247, nxpk= 10, iat= 123, 139, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 8 VAL HA 9 CYS HN 4.00 (# 249:10 )
&rst
ixpk= 249, nxpk= 10, iat= 125, 139, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 12 ASN QB 9 CYS HN 6.00 (# 250:10 )
&rst
ixpk= 250, nxpk= 10, iat= -1, 139, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 177, 178,
&end
#
# 8 VAL HB 9 CYS HN 6.0 (# 251:10 )
&rst
ixpk= 251, nxpk= 10, iat= 127, 139, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 8 VAL QG 9 CYS HN 4.00 (# 252:10 )
&rst
ixpk= 252, nxpk= 10, iat= -1, 139, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1= 129, 130, 131, 133, 134, 135,
&end
#
# 16 SER HN 9 CYS HN 5.50 (# 253:10 )
&rst
ixpk= 253, nxpk= 10, iat= 241, 139, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 35 ALA HN 9 CYS HN 5.50 (# 254:10 )
&rst
ixpk= 254, nxpk= 10, iat= 558, 139, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 36 GLY QA 9 CYS HN 5.50 (# 256:10 )
&rst
ixpk= 256, nxpk= 10, iat= -1, 139, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 570, 571,
&end
#
# 9 CYS QB 9 CYS HN 5.50 (# 258:10 )
&rst
ixpk= 258, nxpk= 10, iat= -1, 139, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 143, 144,
&end
#
# 9 CYS QB 9 CYS HN 4.00 (# 259:10 )
&rst
ixpk= 259, nxpk= 10, iat= -1, 139, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 143, 144,
&end
#
# 8 VAL QG 9 CYS HN 5.50 (# 260:10 )
&rst
ixpk= 260, nxpk= 10, iat= -1, 139, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 129, 130, 131, 133, 134, 135,
&end
#
# 14 CYS HN 15 ARG+ HN 5.50 (# 261:10 )
&rst
ixpk= 261, nxpk= 10, iat= 206, 217, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 15 ARG+ QB 15 ARG+ HN 6.00 (# 262:10 )
&rst
ixpk= 262, nxpk= 10, iat= -1, 217, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 221, 222,
&end
#
# 14 CYS QB 15 ARG+ HN 5.50 (# 263:10 )
&rst
ixpk= 263, nxpk= 10, iat= -1, 217, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 210, 211,
&end
#
# 15 ARG+ HA 15 ARG+ HN 5.50 (# 264:10 )
&rst
ixpk= 264, nxpk= 10, iat= 219, 217, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 15 ARG+ QB 15 ARG+ HN 5.50 (# 266:10 )
&rst
ixpk= 266, nxpk= 10, iat= -1, 217, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 221, 222,
&end
#
# 15 ARG+ QG 15 ARG+ HN 6.00 (# 286:10 )
&rst
ixpk= 286, nxpk= 10, iat= -1, 217, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 224, 225,
&end
#
# 15 ARG+ QG 15 ARG+ HN 5.50 (# 288:10 )
&rst
ixpk= 288, nxpk= 10, iat= -1, 217, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 224, 225,
&end
#
# 9 CYS HN 8 VAL HN 5.50 (# 309:10 )
&rst
ixpk= 309, nxpk= 10, iat= 139, 123, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 11 GLY QA 40 LEU HN 5.50 (# 368:10 )
&rst
ixpk= 368, nxpk= 10, iat= -1, 611, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 168, 169,
&end
#
# 13 ILE QD1 40 LEU HN 6.00 (# 378:10 )
&rst
ixpk= 378, nxpk= 10, iat= -1, 611, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1= 200, 201, 202,
&end
#
# 12 ASN QB 40 LEU HN 5.50 (# 386:10 )
&rst
ixpk= 386, nxpk= 10, iat= -1, 611, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 177, 178,
&end
#
# 11 GLY QA 40 LEU HN 5.50 (# 387:10 )
&rst
ixpk= 387, nxpk= 10, iat= -1, 611, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 168, 169,
&end
#
# 12 ASN QB 40 LEU HN 6.00 (# 388:10 )
&rst
ixpk= 388, nxpk= 10, iat= -1, 611, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 177, 178,
&end
#
# 9 CYS HN 37 LEU HN 5.50 (# 474:10 )
&rst
ixpk= 474, nxpk= 10, iat= 139, 575, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 10 VAL HA 37 LEU HN 4.00 (# 477:10 )
&rst
ixpk= 477, nxpk= 10, iat= 152, 575, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 10 VAL HA 10 VAL HN 5.50 (# 595:10 )
&rst
ixpk= 595, nxpk= 10, iat= 152, 150, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 10 VAL HB 10 VAL HN 4.00 (# 596:10 )
&rst
ixpk= 596, nxpk= 10, iat= 154, 150, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 10 VAL QG 10 VAL HN 5.50 (# 597:10 )
&rst
ixpk= 597, nxpk= 10, iat= -1, 150, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 156, 157, 158, 160, 161, 162,
&end
#
# 11 GLY HN 10 VAL HN 5.50 (# 624:10 )
&rst
ixpk= 624, nxpk= 10, iat= 166, 150, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 9 CYS HN 10 VAL HN 5.50 (# 625:10 )
&rst
ixpk= 625, nxpk= 10, iat= 139, 150, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 9 CYS QB 10 VAL HN 4.00 (# 626:10 )
&rst
ixpk= 626, nxpk= 10, iat= -1, 150, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 143, 144,
&end
#
# 13 ILE QG2 43 LYS+ HN 5.50 (# 650:10 )
&rst
ixpk= 650, nxpk= 10, iat= -1, 653, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 193, 194, 195,
&end
#
# 13 ILE HA 46 ASP- HN 5.50 (# 692:10 )
&rst
ixpk= 692, nxpk= 10, iat= 189, 692, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 13 ILE HB 46 ASP- HN 4.00 (# 696:10 )
&rst
ixpk= 696, nxpk= 10, iat= 191, 692, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 13 ILE QD1 46 ASP- HN 5.50 (# 698:10 )
&rst
ixpk= 698, nxpk= 10, iat= -1, 692, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 200, 201, 202,
&end
#
# 12 ASN QB 66 ARG+ HN 5.50 (# 750:10 )
&rst
ixpk= 750, nxpk= 10, iat= -1, 966, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 177, 178,
&end
#
# 15 ARG+ HN 16 SER HN 5.50 (# 1428:10 )
&rst
ixpk= 1428, nxpk= 10, iat= 217, 241, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 15 ARG+ QD 16 SER HN 5.50 (# 1431:10 )
&rst
ixpk= 1431, nxpk= 10, iat= -1, 241, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 227, 228,
&end
#
# 15 ARG+ QB 16 SER HN 5.50 (# 1432:10 )
&rst
ixpk= 1432, nxpk= 10, iat= -1, 241, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 221, 222,
&end
#
# 15 ARG+ QB 16 SER HN 5.50 (# 1433:10 )
&rst
ixpk= 1433, nxpk= 10, iat= -1, 241, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 221, 222,
&end
#
# 11 GLY HN 12 ASN HN 5.50 (# 1450:10 )
&rst
ixpk= 1450, nxpk= 10, iat= 166, 173, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 36 GLY QA 12 ASN HN 5.50 (# 1453:10 )
&rst
ixpk= 1453, nxpk= 10, iat= -1, 173, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 570, 571,
&end
#
# 11 GLY QA 12 ASN HN 5.50 (# 1455:10 )
&rst
ixpk= 1455, nxpk= 10, iat= -1, 173, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 168, 169,
&end
#
# 12 ASN HA 12 ASN HN 4.00 (# 1457:10 )
&rst
ixpk= 1457, nxpk= 10, iat= 175, 173, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 11 GLY QA 12 ASN HN 5.50 (# 1458:10 )
&rst
ixpk= 1458, nxpk= 10, iat= -1, 173, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 168, 169,
&end
#
# 12 ASN QB 12 ASN HN 5.50 (# 1459:10 )
&rst
ixpk= 1459, nxpk= 10, iat= -1, 173, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 177, 178,
&end
#
# 12 ASN QD 12 ASN HN 4.50 (# 1485:10 )
&rst
ixpk= 1485, nxpk= 10, iat= -1, 173, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 182, 183,
&end
#
# 36 GLY QA 12 ASN HN 5.50 (# 1486:10 )
&rst
ixpk= 1486, nxpk= 10, iat= -1, 173, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 570, 571,
&end
#
# 12 ASN QB 12 ASN HN 5.50 (# 1487:10 )
&rst
ixpk= 1487, nxpk= 10, iat= -1, 173, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 177, 178,
&end
#
# 10 VAL HA 38 GLY HN 4.00 (# 1729:10 )
&rst
ixpk= 1729, nxpk= 10, iat= 152, 594, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 10 VAL QG 38 GLY HN 4.00 (# 1736:10 )
&rst
ixpk= 1736, nxpk= 10, iat= -1, 594, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1= 156, 157, 158, 160, 161, 162,
&end
#
# 11 GLY QA 11 GLY HN 5.50 (# 2047:10 )
&rst
ixpk= 2047, nxpk= 10, iat= -1, 166, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 168, 169,
&end
#
# 10 VAL HN 11 GLY HN 5.50 (# 2048:10 )
&rst
ixpk= 2048, nxpk= 10, iat= 150, 166, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 10 VAL QG 11 GLY HN 5.50 (# 2049:10 )
&rst
ixpk= 2049, nxpk= 10, iat= -1, 166, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 156, 157, 158, 160, 161, 162,
&end
#
# 11 GLY QA 11 GLY HN 6.00 (# 2050:10 )
&rst
ixpk= 2050, nxpk= 10, iat= -1, 166, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 168, 169,
&end
#
# 10 VAL HB 11 GLY HN 5.50 (# 2051:10 )
&rst
ixpk= 2051, nxpk= 10, iat= 154, 166, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 12 ASN HN 12 ASN QD 6.00 (# 2052:10 )
&rst
ixpk= 2052, nxpk= 10, iat= 173, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 182, 183,
&end
#
# 12 ASN QB 12 ASN QD 5.50 (# 2054:10 )
&rst
ixpk= 2054, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 177, 178,
igr2= 182, 183,
&end
#
# 14 CYS HN 12 ASN QD 5.50 (# 2057:10 )
&rst
ixpk= 2057, nxpk= 10, iat= 206, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 182, 183,
&end
#
# 12 ASN HA 12 ASN QD 5.50 (# 2058:10 )
&rst
ixpk= 2058, nxpk= 10, iat= 175, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 182, 183,
&end
#
# 13 ILE QG2 44 GLY HN 5.50 (# 2074:10 )
&rst
ixpk= 2074, nxpk= 10, iat= -1, 675, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 193, 194, 195,
&end
#
# 9 CYS HN 35 ALA HN 6.00 (# 2088:10 )
&rst
ixpk= 2088, nxpk= 10, iat= 139, 558, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 12 ASN QD 35 ALA HN 6.00 (# 2092:10 )
&rst
ixpk= 2092, nxpk= 10, iat= -1, 558, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 182, 183,
&end
#
# 9 CYS HN 16 SER HN 6.00 (# 2123:10 )
&rst
ixpk= 2123, nxpk= 10, iat= 139, 241, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 16 SER HN 15 ARG+ HN 6.00 (# 2124:10 )
&rst
ixpk= 2124, nxpk= 10, iat= 241, 217, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 12 ASN QD 14 CYS HN 4.00 (# 2125:10 )
&rst
ixpk= 2125, nxpk= 10, iat= -1, 206, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1= 182, 183,
&end
#
# 15 ARG+ HN 14 CYS HN 5.50 (# 2126:10 )
&rst
ixpk= 2126, nxpk= 10, iat= 217, 206, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 35 ALA HN 12 ASN QD 6.00 (# 2137:10 )
&rst
ixpk= 2137, nxpk= 10, iat= 558, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 182, 183,
&end
#
# 13 ILE HA 14 CYS HN 6.00 (# 2138:10 )
&rst
ixpk= 2138, nxpk= 10, iat= 189, 206, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 14 CYS QB 14 CYS HN 5.50 (# 2139:10 )
&rst
ixpk= 2139, nxpk= 10, iat= -1, 206, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 210, 211,
&end
#
# 13 ILE QG1 14 CYS HN 6.00 (# 2141:10 )
&rst
ixpk= 2141, nxpk= 10, iat= -1, 206, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 197, 198,
&end
#
# 7 VAL QG 9 CYS HN 5.50 (# 2171:10 )
&rst
ixpk= 2171, nxpk= 10, iat= -1, 139, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 113, 114, 115, 117, 118, 119,
&end
#
# 13 ILE QD1 14 CYS HN 6.00 (# 2198:10 )
&rst
ixpk= 2198, nxpk= 10, iat= -1, 206, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1= 200, 201, 202,
&end
#
# 12 ASN QB 12 ASN QD 5.50 (# 2558:10 )
&rst
ixpk= 2558, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 177, 178,
igr2= 182, 183,
&end
#
# 34 SER HA 12 ASN QD 6.5 (# 2559:10 )
&rst
ixpk= 2559, nxpk= 10, iat= 549, -1, r1= 0.00, r2= 1.80, r3= 7.30, r4= 8.05,
igr2= 182, 183,
&end
#
# 38 GLY HN 10 VAL HA 5.50 (# 30:20 )
&rst
ixpk= 30, nxpk= 20, iat= 594, 152, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 37 LEU QB 10 VAL HA 5.50 (# 31:20 )
&rst
ixpk= 31, nxpk= 20, iat= -1, 152, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 579, 580,
&end
#
# 37 LEU HN 10 VAL HA 4.00 (# 32:20 )
&rst
ixpk= 32, nxpk= 20, iat= 575, 152, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 37 LEU QB 10 VAL HA 5.50 (# 33:20 )
&rst
ixpk= 33, nxpk= 20, iat= -1, 152, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 579, 580,
&end
#
# 10 VAL QG 10 VAL HA 2.80 (# 34:20 )
&rst
ixpk= 34, nxpk= 20, iat= -1, 152, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 156, 157, 158, 160, 161, 162,
&end
#
# 46 ASP- HN 13 ILE HA 5.50 (# 136:20 )
&rst
ixpk= 136, nxpk= 20, iat= 692, 189, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 45 ALA HA 13 ILE HA 5.50 (# 139:20 )
&rst
ixpk= 139, nxpk= 20, iat= 684, 189, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 13 ILE QG2 13 ILE HA 4.00 (# 140:20 )
&rst
ixpk= 140, nxpk= 20, iat= -1, 189, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1= 193, 194, 195,
&end
#
# 17 PRO QG 13 ILE HA 6.00 (# 141:20 )
&rst
ixpk= 141, nxpk= 20, iat= -1, 189, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 256, 257,
&end
#
# 13 ILE HB 13 ILE HA 4.00 (# 142:20 )
&rst
ixpk= 142, nxpk= 20, iat= 191, 189, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 13 ILE QD1 13 ILE HA 5.50 (# 143:20 )
&rst
ixpk= 143, nxpk= 20, iat= -1, 189, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 200, 201, 202,
&end
#
# 17 PRO QG 13 ILE HA 6.00 (# 144:20 )
&rst
ixpk= 144, nxpk= 20, iat= -1, 189, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 256, 257,
&end
#
# 12 ASN HN 12 ASN HA 5.50 (# 505:20 )
&rst
ixpk= 505, nxpk= 20, iat= 173, 175, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 12 ASN QD 12 ASN HA 5.50 (# 522:20 )
&rst
ixpk= 522, nxpk= 20, iat= -1, 175, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 182, 183,
&end
#
# 12 ASN QB 12 ASN HA 5.50 (# 525:20 )
&rst
ixpk= 525, nxpk= 20, iat= -1, 175, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 177, 178,
&end
#
# 11 GLY QA 39 ALA HA 5.50 (# 593:20 )
&rst
ixpk= 593, nxpk= 20, iat= -1, 603, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 168, 169,
&end
#
# 11 GLY QA 39 ALA HA 5.50 (# 594:20 )
&rst
ixpk= 594, nxpk= 20, iat= -1, 603, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 168, 169,
&end
#
# 13 ILE HA 45 ALA HA 4.00 (# 606:20 )
&rst
ixpk= 606, nxpk= 20, iat= 189, 684, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 13 ILE HB 45 ALA HA 5.50 (# 607:20 )
&rst
ixpk= 607, nxpk= 20, iat= 191, 684, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 13 ILE QG2 45 ALA HA 5.50 (# 609:20 )
&rst
ixpk= 609, nxpk= 20, iat= -1, 684, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 193, 194, 195,
&end
#
# 12 ASN QD 17 PRO QD 5.50 (# 675:20 )
&rst
ixpk= 675, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 182, 183,
igr2= 253, 254,
&end
#
# 10 VAL QG 38 GLY QA 4.00 (# 688:20 )
&rst
ixpk= 688, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1= 156, 157, 158, 160, 161, 162,
igr2= 596, 597,
&end
#
# 13 ILE QD1 46 ASP- QB 5.50 (# 691:20 )
&rst
ixpk= 691, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 200, 201, 202,
igr2= 696, 697,
&end
#
# 13 ILE QD1 46 ASP- QB 5.50 (# 695:20 )
&rst
ixpk= 695, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 200, 201, 202,
igr2= 696, 697,
&end
#
# 10 VAL HA 37 LEU QB 5.50 (# 801:20 )
&rst
ixpk= 801, nxpk= 20, iat= 152, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 579, 580,
&end
#
# 10 VAL HA 37 LEU QB 5.50 (# 806:20 )
&rst
ixpk= 806, nxpk= 20, iat= 152, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 579, 580,
&end
#
# 10 VAL HA 37 LEU QB 6.00 (# 810:20 )
&rst
ixpk= 810, nxpk= 20, iat= 152, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 579, 580,
&end
#
# 46 ASP- HN 13 ILE HB 5.50 (# 993:20 )
&rst
ixpk= 993, nxpk= 20, iat= 692, 191, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 45 ALA HA 13 ILE HB 5.50 (# 996:20 )
&rst
ixpk= 996, nxpk= 20, iat= 684, 191, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 13 ILE HA 13 ILE HB 4.00 (# 997:20 )
&rst
ixpk= 997, nxpk= 20, iat= 189, 191, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 45 ALA HA 13 ILE HB 5.50 (# 1004:20 )
&rst
ixpk= 1004, nxpk= 20, iat= 684, 191, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 13 ILE QG1 13 ILE HB 5.50 (# 1005:20 )
&rst
ixpk= 1005, nxpk= 20, iat= -1, 191, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 197, 198,
&end
#
# 13 ILE QG2 13 ILE HB 4.00 (# 1006:20 )
&rst
ixpk= 1006, nxpk= 20, iat= -1, 191, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1= 193, 194, 195,
&end
#
# 13 ILE QD1 13 ILE HB 4.00 (# 1007:20 )
&rst
ixpk= 1007, nxpk= 20, iat= -1, 191, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr1= 200, 201, 202,
&end
#
# 39 ALA QB 12 ASN QB 5.50 (# 1040:20 )
&rst
ixpk= 1040, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 605, 606, 607,
igr2= 177, 178,
&end
#
# 65 ALA QB 12 ASN QB 4.00 (# 1041:20 )
&rst
ixpk= 1041, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1= 960, 961, 962,
igr2= 177, 178,
&end
#
# 13 ILE QG2 43 LYS+ QB 2.80 (# 1338:20 )
&rst
ixpk= 1338, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 193, 194, 195,
igr2= 657, 658,
&end
#
# 10 VAL HN 10 VAL HB 4.00 (# 1395:20 )
&rst
ixpk= 1395, nxpk= 20, iat= 150, 154, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75, &end
#
# 13 ILE HA 17 PRO QG 5.50 (# 1801:20 )
&rst
ixpk= 1801, nxpk= 20, iat= 189, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 256, 257,
&end
#
# 14 CYS HN 13 ILE QG1 5.50 (# 1945:20 )
&rst
ixpk= 1945, nxpk= 20, iat= 206, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 197, 198,
&end
#
# 13 ILE QD1 13 ILE QG1 4.00 (# 1946:20 )
&rst
ixpk= 1946, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1= 200, 201, 202,
igr2= 197, 198,
&end
#
# 13 ILE QD1 13 ILE QG1 4.00 (# 1952:20 )
&rst
ixpk= 1952, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1= 200, 201, 202,
igr2= 197, 198,
&end
#
# 13 ILE HB 13 ILE QG1 6.00 (# 1953:20 )
&rst
ixpk= 1953, nxpk= 20, iat= 191, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 197, 198,
&end
#
# 10 VAL HA 37 LEU QD 5.50 (# 2176:20 )
&rst
ixpk= 2176, nxpk= 20, iat= 152, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 584, 585, 586, 588, 589, 590,
&end
#
# 10 VAL HA 37 LEU QD 6.00 (# 2389:20 )
&rst
ixpk= 2389, nxpk= 20, iat= 152, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 584, 585, 586, 588, 589, 590,
&end
#
# 38 GLY HN 10 VAL QG 5.50 (# 2490:20 )
&rst
ixpk= 2490, nxpk= 20, iat= 594, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 156, 157, 158, 160, 161, 162,
&end
#
# 10 VAL HA 10 VAL QG 5.50 (# 2494:20 )
&rst
ixpk= 2494, nxpk= 20, iat= 152, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 156, 157, 158, 160, 161, 162,
&end
#
# 10 VAL HB 10 VAL QG 4.00 (# 2495:20 )
&rst
ixpk= 2495, nxpk= 20, iat= 154, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr2= 156, 157, 158, 160, 161, 162,
&end
#
# 10 VAL HN 10 VAL QG 5.50 (# 2496:20 )
&rst
ixpk= 2496, nxpk= 20, iat= 150, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 156, 157, 158, 160, 161, 162,
&end
#
# 86 HIS HD2 10 VAL QG 5.50 (# 2497:20 )
&rst
ixpk= 2497, nxpk= 20, iat=1348, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 156, 157, 158, 160, 161, 162,
&end
#
# 10 VAL HB 10 VAL QG 5.50 (# 2500:20 )
&rst
ixpk= 2500, nxpk= 20, iat= 154, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 156, 157, 158, 160, 161, 162,
&end
#
# 9 CYS HN 8 VAL QG 5.50 (# 2572:20 )
&rst
ixpk= 2572, nxpk= 20, iat= 139, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 129, 130, 131, 133, 134, 135,
&end
#
# 10 VAL HN 10 VAL QG 5.50 (# 2641:20 )
&rst
ixpk= 2641, nxpk= 20, iat= 150, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 156, 157, 158, 160, 161, 162,
&end
#
# 38 GLY HN 10 VAL QG 5.50 (# 2642:20 )
&rst
ixpk= 2642, nxpk= 20, iat= 594, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 156, 157, 158, 160, 161, 162,
&end
#
# 86 HIS HE1 10 VAL QG 5.50 (# 2643:20 )
&rst
ixpk= 2643, nxpk= 20, iat=1345, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 156, 157, 158, 160, 161, 162,
&end
#
# 38 GLY QA 10 VAL QG 5.50 (# 2644:20 )
&rst
ixpk= 2644, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 596, 597,
igr2= 156, 157, 158, 160, 161, 162,
&end
#
# 38 GLY QA 10 VAL QG 4.00 (# 2645:20 )
&rst
ixpk= 2645, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.05, r4= 6.80,
igr1= 596, 597,
igr2= 156, 157, 158, 160, 161, 162,
&end
#
# 10 VAL HA 10 VAL QG 4.00 (# 2671:20 )
&rst
ixpk= 2671, nxpk= 20, iat= 152, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr2= 156, 157, 158, 160, 161, 162,
&end
#
# 11 GLY QA 39 ALA QB 5.50 (# 2746:20 )
&rst
ixpk= 2746, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 168, 169,
igr2= 605, 606, 607,
&end
#
# 12 ASN QB 39 ALA QB 4.00 (# 2749:20 )
&rst
ixpk= 2749, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1= 177, 178,
igr2= 605, 606, 607,
&end
#
# 11 GLY QA 39 ALA QB 5.500 (# 2763:20 )
&rst
ixpk= 2763, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 168, 169,
igr2= 605, 606, 607,
&end
#
# 12 ASN QB 39 ALA QB 5.50 (# 2782:20 )
&rst
ixpk= 2782, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 177, 178,
igr2= 605, 606, 607,
&end
#
# 40 LEU QB 13 ILE QG2 4.00 (# 2784:20 )
&rst
ixpk= 2784, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1= 615, 616,
igr2= 193, 194, 195,
&end
#
# 12 ASN QB 65 ALA QB 4.00 (# 2809:20 )
&rst
ixpk= 2809, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1= 177, 178,
igr2= 960, 961, 962,
&end
#
# 46 ASP- HN 13 ILE QG2 5.50 (# 2825:20 )
&rst
ixpk= 2825, nxpk= 20, iat= 692, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 193, 194, 195,
&end
#
# 45 ALA HA 13 ILE QG2 5.50 (# 2827:20 )
&rst
ixpk= 2827, nxpk= 20, iat= 684, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 193, 194, 195,
&end
#
# 13 ILE HB 13 ILE QG2 4.00 (# 2828:20 )
&rst
ixpk= 2828, nxpk= 20, iat= 191, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2= 193, 194, 195,
&end
#
# 13 ILE QG1 13 ILE QG2 4.00 (# 2829:20 )
&rst
ixpk= 2829, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1= 197, 198,
igr2= 193, 194, 195,
&end
#
# 40 LEU QB 13 ILE QG2 5.50 (# 2830:20 )
&rst
ixpk= 2830, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 615, 616,
igr2= 193, 194, 195,
&end
#
# 65 ALA QB 13 ILE QG2 4.00 (# 2831:20 )
&rst
ixpk= 2831, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
igr1= 960, 961, 962,
igr2= 193, 194, 195,
&end
#
# 13 ILE HA 13 ILE QG2 4.00 (# 2832:20 )
&rst
ixpk= 2832, nxpk= 20, iat= 189, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2= 193, 194, 195,
&end
#
# 13 ILE QD1 13 ILE QG2 4.00 (# 2833:20 )
&rst
ixpk= 2833, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
igr1= 200, 201, 202,
igr2= 193, 194, 195,
&end
#
# 13 ILE HB 45 ALA QB 6.00 (# 2851:20 )
&rst
ixpk= 2851, nxpk= 20, iat= 191, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 686, 687, 688,
&end
#
# 13 ILE HA 45 ALA QB 6.00 (# 2882:20 )
&rst
ixpk= 2882, nxpk= 20, iat= 189, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 686, 687, 688,
&end
#
# 117 TYR QE 13 ILE QD1 5.50 (# 3101:20 )
&rst
ixpk= 3101, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1837,1842,
igr2= 200, 201, 202,
&end
#
# 45 ALA HA 13 ILE QD1 5.50 (# 3102:20 )
&rst
ixpk= 3102, nxpk= 20, iat= 684, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 200, 201, 202,
&end
#
# 40 LEU HN 13 ILE QD1 5.50 (# 3103:20 )
&rst
ixpk= 3103, nxpk= 20, iat= 611, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 200, 201, 202,
&end
#
# 117 TYR QD 13 ILE QD1 4.00 (# 3104:20 )
&rst
ixpk= 3104, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1=1835,1844,
igr2= 200, 201, 202,
&end
#
# 13 ILE HA 13 ILE QD1 5.50 (# 3105:20 )
&rst
ixpk= 3105, nxpk= 20, iat= 189, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 200, 201, 202,
&end
#
# 11 GLY QA 13 ILE QD1 5.50 (# 3106:20 )
&rst
ixpk= 3106, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 168, 169,
igr2= 200, 201, 202,
&end
#
# 46 ASP- QB 13 ILE QD1 5.50 (# 3108:20 )
&rst
ixpk= 3108, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 696, 697,
igr2= 200, 201, 202,
&end
#
# 13 ILE HB 13 ILE QD1 4.00 (# 3109:20 )
&rst
ixpk= 3109, nxpk= 20, iat= 191, -1, r1= 0.00, r2= 1.80, r3= 4.80, r4= 5.55,
igr2= 200, 201, 202,
&end
#
# 13 ILE QG1 13 ILE QD1 4.00 (# 3110:20 )
&rst
ixpk= 3110, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1= 197, 198,
igr2= 200, 201, 202,
&end
#
# 40 LEU QD 13 ILE QD1 3.80 (# 3111:20 )
&rst
ixpk= 3111, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.15, r4= 6.90,
igr1= 620, 621, 622, 624, 625, 626,
igr2= 200, 201, 202,
&end
#
# 46 ASP- HN 13 ILE QD1 5.50 (# 3112:20 )
&rst
ixpk= 3112, nxpk= 20, iat= 692, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 200, 201, 202,
&end
#
# 46 ASP- QB 13 ILE QD1 5.50 (# 3113:20 )
&rst
ixpk= 3113, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 696, 697,
igr2= 200, 201, 202,
&end
#
# 11 GLY QA 13 ILE QD1 5.50 (# 3115:20 )
&rst
ixpk= 3115, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 168, 169,
igr2= 200, 201, 202,
&end
#
# 43 LYS+ QG 13 ILE QD1 5.50 (# 3116:20 )
&rst
ixpk= 3116, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 660, 661,
igr2= 200, 201, 202,
&end
#
# 9 CYS HN 8 VAL HA 5.50 (# 3209:20 )
&rst
ixpk= 3209, nxpk= 20, iat= 139, 125, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 9 CYS HN 8 VAL HA 5.50 (# 3211:20 )
&rst
ixpk= 3211, nxpk= 20, iat= 139, 125, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 10 VAL HB 10 VAL HA 6.00 (# 3350:20 )
&rst
ixpk= 3350, nxpk= 20, iat= 154, 152, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 10 VAL QG 10 VAL HB 2.80 (# 3385:20 )
&rst
ixpk= 3385, nxpk= 20, iat= -1, 154, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 156, 157, 158, 160, 161, 162,
&end
#
# 13 ILE HA 17 PRO QG 5.50 (# 3459:20 )
&rst
ixpk= 3459, nxpk= 20, iat= 189, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 256, 257,
&end
#
# 12 ASN QD 35 ALA HA 6.00 (# 3505:20 )
&rst
ixpk= 3505, nxpk= 20, iat= -1, 560, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 182, 183,
&end
#
# 39 ALA HA 11 GLY QA 4.00 (# 3546:20 )
&rst
ixpk= 3546, nxpk= 20, iat= 603, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2= 168, 169,
&end
#
# 39 ALA QB 11 GLY QA 6.00 (# 3548:20 )
&rst
ixpk= 3548, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 605, 606, 607,
igr2= 168, 169,
&end
#
# 40 LEU HN 11 GLY QA 6.00 (# 3583:20 )
&rst
ixpk= 3583, nxpk= 20, iat= 611, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 168, 169,
&end
#
# 12 ASN QD 17 PRO QD 6.00 (# 3606:20 )
&rst
ixpk= 3606, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 182, 183,
igr2= 253, 254,
&end
#
# 36 GLY HN 12 ASN QB 6.00 (# 3624:20 )
&rst
ixpk= 3624, nxpk= 20, iat= 568, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 177, 178,
&end
#
# 117 TYR QD 13 ILE QG1 5.50 (# 3844:20 )
&rst
ixpk= 3844, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1835,1844,
igr2= 197, 198,
&end
#
# 9 CYS HN 8 VAL QG 5.50 (# 3878:20 )
&rst
ixpk= 3878, nxpk= 20, iat= 139, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 129, 130, 131, 133, 134, 135,
&end
#
# 9 CYS HN 7 VAL QG 6.00 (# 3892:20 )
&rst
ixpk= 3892, nxpk= 20, iat= 139, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 113, 114, 115, 117, 118, 119,
&end
#
# 10 VAL HN 9 CYS QB 6.00 (# 3905:20 )
&rst
ixpk= 3905, nxpk= 20, iat= 150, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 143, 144,
&end
#
# 10 VAL HN 9 CYS QB 6.00 (# 3915:20 )
&rst
ixpk= 3915, nxpk= 20, iat= 150, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 143, 144,
&end
#
# 10 VAL QG 38 GLY QA 5.50 (# 3996:20 )
&rst
ixpk= 3996, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 156, 157, 158, 160, 161, 162,
igr2= 596, 597,
&end
#
# 39 ALA HA 11 GLY QA 5.50 (# 4000:20 )
&rst
ixpk= 4000, nxpk= 20, iat= 603, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 168, 169,
&end
#
# 13 ILE QD1 11 GLY QA 6.00 (# 4002:20 )
&rst
ixpk= 4002, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 200, 201, 202,
igr2= 168, 169,
&end
#
# 13 ILE QG2 46 ASP- QB 6.00 (# 4084:20 )
&rst
ixpk= 4084, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 193, 194, 195,
igr2= 696, 697,
&end
#
# 12 ASN QB 65 ALA HA 5.50 (# 4255:20 )
&rst
ixpk= 4255, nxpk= 20, iat= -1, 958, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 177, 178,
&end
#
# 36 GLY HN 12 ASN QB 5.0 (# 4266:20 )
&rst
ixpk= 4266, nxpk= 20, iat= 568, -1, r1= 0.00, r2= 1.80, r3= 5.61, r4= 6.36,
igr2= 177, 178,
&end
#
# 66 ARG+ HN 12 ASN QB 6.00 (# 4267:20 )
&rst
ixpk= 4267, nxpk= 20, iat= 966, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 177, 178,
&end
#
# 14 CYS HN 13 ILE QD1 6.00 (# 4274:20 )
&rst
ixpk= 4274, nxpk= 20, iat= 206, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 200, 201, 202,
&end
#
# 10 VAL HA 10 VAL HB 5.50 (# 4297:20 )
&rst
ixpk= 4297, nxpk= 20, iat= 152, 154, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 9 CYS HN 36 GLY QA 6.00 (# 4306:20 )
&rst
ixpk= 4306, nxpk= 20, iat= 139, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 570, 571,
&end
#
# 65 ALA HN 13 ILE QG2 6.00 (# 4413:20 )
&rst
ixpk= 4413, nxpk= 20, iat= 956, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 193, 194, 195,
&end
#
# 13 ILE QG2 65 ALA QB 2.80 (# 4427:20 )
&rst
ixpk= 4427, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 193, 194, 195,
igr2= 960, 961, 962,
&end
#
# 11 GLY HN 10 VAL QG 6.00 (# 4439:20 )
&rst
ixpk= 4439, nxpk= 20, iat= 166, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 156, 157, 158, 160, 161, 162,
&end
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