NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
589043 |
2my9   |
25448 | cing | 1-original | 5 | AMBER | distance | NOE | simple |
# 118 THR HA 118 THR HB 2.80 (# 1:20 Unique 2.47, 2.65 A)
&rst
ixpk= 1, nxpk= 20, iat=1816,1818, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,
rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
&end
#
# 118 THR MG2 118 THR HB 2.80 (# 2:20 Unique 2.42, 2.66 A)
&rst
ixpk= 2, nxpk= 20, iat= -1,1818, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1820,1821,1822,
&end
#
# 89 VAL HN 89 VAL HA 3.50 (# 5:20 Unique 2.72, 2.77 A)
&rst
ixpk= 5, nxpk= 20, iat=1347,1349, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 92 ILE HN 89 VAL HA 4.50 (# 6:20 Unique 2.93, 3.14 A)
&rst
ixpk= 6, nxpk= 20, iat=1394,1349, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 89 VAL HB 89 VAL HA 3.50 (# 7:20 Unique 2.38, 2.76 A)
&rst
ixpk= 7, nxpk= 20, iat=1351,1349, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 92 ILE HB 89 VAL HA 2.80 (# 8:20 Unique 2.63, 2.80 A)
&rst
ixpk= 8, nxpk= 20, iat=1398,1349, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 92 ILE HG1+ 89 VAL HA 4.50 (# 9:20 Unique 2.42, 3.38 A)
&rst
ixpk= 9, nxpk= 20, iat= -1,1349, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1404,1405,
&end
#
# 89 VAL MGX 89 VAL HA 2.80 (# 10:20 Unique 2.35, 3.33 A)
&rst
ixpk= 10, nxpk= 20, iat= -1,1349, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1353,1354,1355,1357,1358,1359,
&end
#
# 0 AMB 20-2:11 89 VAL HA 2.80 (# 11:20 Single Ambig)
&rst
ixpk= 11, nxpk= 20, iat= -1,1349, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1=1407,1408,1409,1353,1354,1355,1357,1358,1359,
&end
#
# 0 AMB 20-2:12 89 VAL HA 5.50 (# 12:20 Single Ambig)
&rst
ixpk= 12, nxpk= 20, iat= -1,1349, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1400,1401,1402, 412, 413, 414, 416, 417, 418,
&end
#
# 118 THR HB 118 THR HA 2.80 (# 13:20 Unique 2.47, 2.65 A)
&rst
ixpk= 13, nxpk= 20, iat=1818,1816, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 118 THR MG2 118 THR HA 2.80 (# 14:20 Preassigned 2.38, 3.11 A)
&rst
ixpk= 14, nxpk= 20, iat= -1,1816, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1820,1821,1822,
&end
#
# 92 ILE HN 92 ILE HA 3.50 (# 15:20 Unique 2.87, 2.89 A)
&rst
ixpk= 15, nxpk= 20, iat=1394,1396, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 92 ILE QG2 92 ILE HA 2.80 (# 16:20 Unique 2.49, 3.07 A)
&rst
ixpk= 16, nxpk= 20, iat= -1,1396, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1400,1401,1402,
&end
#
# 102 GLN HN 100 VAL HA 4.50 (# 17:20 Unique 3.32, 3.44 A)
&rst
ixpk= 17, nxpk= 20, iat=1541,1520, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 100 VAL HN 100 VAL HA 3.50 (# 18:20 Unique 2.75, 2.79 A)
&rst
ixpk= 18, nxpk= 20, iat=1518,1520, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 60 VAL HB 100 VAL HA 2.80 (# 19:20 Unique 2.25, 2.38 A)
&rst
ixpk= 19, nxpk= 20, iat= 883,1520, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 60 VAL MGX 100 VAL HA 2.80 (# 20:20 Unique 2.12, 3.85 A)
&rst
ixpk= 20, nxpk= 20, iat= -1,1520, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 885, 886, 887, 889, 890, 891,
&end
#
# 101 GLY HN 100 VAL HA 2.80 (# 21:20 Unique 2.06, 2.08 A)
&rst
ixpk= 21, nxpk= 20, iat=1534,1520, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 100 VAL HB 100 VAL HA 3.50 (# 22:20 Unique 2.57, 3.01 A)
&rst
ixpk= 22, nxpk= 20, iat=1522,1520, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 100 VAL MGX 100 VAL HA 2.80 (# 23:20 Unique 2.33, 3.15 A)
&rst
ixpk= 23, nxpk= 20, iat= -1,1520, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1524,1525,1526,1528,1529,1530,
&end
#
# 100 VAL MGY 100 VAL HA 2.80 (# 24:20 Unique 2.33, 3.15 A)
&rst
ixpk= 24, nxpk= 20, iat= -1,1520, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1524,1525,1526,1528,1529,1530,
&end
#
# 69 VAL HB 69 VAL HA 2.80 (# 25:20 Unique 2.34, 2.44 A)
&rst
ixpk= 25, nxpk= 20, iat=1046,1044, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 69 VAL MGY 69 VAL HA 3.50 (# 26:20 Unique 2.29, 3.49 A)
&rst
ixpk= 26, nxpk= 20, iat= -1,1044, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1048,1049,1050,1052,1053,1054,
&end
#
# 69 VAL MGX 69 VAL HA 2.80 (# 27:20 Preassigned 2.29, 3.49 A)
&rst
ixpk= 27, nxpk= 20, iat= -1,1044, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1048,1049,1050,1052,1053,1054,
&end
#
# 0 AMB 20-2:28 68 VAL HA 2.80 (# 28:20 Single Ambig)
&rst
ixpk= 28, nxpk= 20, iat= -1,1028, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
1037,1038,
&end
#
# 93 ILE HB 93 ILE HA 3.50 (# 29:20 Unique 3.01, 3.03 A)
&rst
ixpk= 29, nxpk= 20, iat=1417,1415, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 96 ALA MB 93 ILE HA 2.80 (# 30:20 Unique 2.50, 3.26 A)
&rst
ixpk= 30, nxpk= 20, iat= -1,1415, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1458,1459,1460,
&end
#
# 93 ILE QG2 93 ILE HA 2.80 (# 31:20 Unique 2.81, 3.41 A)
&rst
ixpk= 31, nxpk= 20, iat= -1,1415, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1419,1420,1421,
&end
#
# 0 AMB 20-2:32 0 AMB 20-1:32 2.80 (# 32:20 Double Ambig)
&rst
ixpk= 32, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1426,1427,1428, 233, 234, 235, 449, 450, 451,
igr2=1415,1044,
&end
#
# 91 VAL MGX 91 VAL HA 2.80 (# 33:20 Unique 2.43, 3.15 A)
&rst
ixpk= 33, nxpk= 20, iat= -1,1380, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1384,1385,1386,1388,1389,1390,
&end
#
# 91 VAL MGY 91 VAL HA 3.50 (# 34:20 Unique 2.43, 3.15 A)
&rst
ixpk= 34, nxpk= 20, iat= -1,1380, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1384,1385,1386,1388,1389,1390,
&end
#
# 11 GLY HN 10 PRO HA 2.80 (# 36:20 Unique 2.13, 2.16 A)
&rst
ixpk= 36, nxpk= 20, iat= 155, 151, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 10 PRO HB+ 10 PRO HA 2.80 (# 37:20 Unique 2.26, 2.67 A)
&rst
ixpk= 37, nxpk= 20, iat= -1, 151, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 148, 149,
&end
#
# 120 LEU HB- 117 VAL HA 3.50 (# 38:20 Unique 2.69, 3.89 A)
&rst
ixpk= 38, nxpk= 20, iat= -1,1800, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1849,1850,
&end
#
# 117 VAL HB 117 VAL HA 2.80 (# 39:20 Unique 2.36, 2.40 A)
&rst
ixpk= 39, nxpk= 20, iat=1802,1800, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 117 VAL MGY 117 VAL HA 3.50 (# 40:20 Preassigned 2.35, 3.50 A)
&rst
ixpk= 40, nxpk= 20, iat= -1,1800, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1804,1805,1806,1808,1809,1810,
&end
#
# 117 VAL MGX 117 VAL HA 2.80 (# 41:20 Unique 2.35, 3.50 A)
&rst
ixpk= 41, nxpk= 20, iat= -1,1800, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1804,1805,1806,1808,1809,1810,
&end
#
# 58 ALA HA 57 SER HB- 4.50 (# 42:20 Unique 4.65, 5.08 A)
&rst
ixpk= 42, nxpk= 20, iat= 856, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 847, 848,
&end
#
# 0 AMB 20-2:43 0 AMB 20-1:43 2.80 (# 43:20 Double Ambig)
&rst
ixpk= 43, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 672, 673, 49, 50,
igr2= 675, 52,
&end
#
# 4 PRO HB+ 4 PRO HA 2.80 (# 44:20 Unique 2.30, 2.55 A)
&rst
ixpk= 44, nxpk= 20, iat= -1, 52, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 49, 50,
&end
#
# 43 PRO HG- 43 PRO HA 3.50 (# 45:20 Preassigned 2.73, 3.87 A)
&rst
ixpk= 45, nxpk= 20, iat= -1, 675, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 669, 670,
&end
#
# 89 VAL HN 88 PRO HA 2.80 (# 46:20 Unique 2.11, 2.16 A)
&rst
ixpk= 46, nxpk= 20, iat=1347,1343, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 88 PRO HB- 88 PRO HA 2.80 (# 47:20 Unique 2.28, 2.52 A)
&rst
ixpk= 47, nxpk= 20, iat= -1,1343, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1340,1341,
&end
#
# 88 PRO HG- 88 PRO HA 4.50 (# 48:20 Unique 2.88, 3.94 A)
&rst
ixpk= 48, nxpk= 20, iat= -1,1343, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1337,1338,
&end
#
# 88 PRO HB+ 88 PRO HA 2.80 (# 49:20 Unique 2.28, 2.52 A)
&rst
ixpk= 49, nxpk= 20, iat= -1,1343, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1340,1341,
&end
#
# 39 PRO HG+ 39 PRO HA 3.50 (# 50:20 Unique 2.72, 3.72 A)
&rst
ixpk= 50, nxpk= 20, iat= -1, 614, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 608, 609,
&end
#
# 53 VAL HB 53 VAL HA 3.50 (# 51:20 Preassigned 2.34, 2.64 A)
&rst
ixpk= 51, nxpk= 20, iat= 787, 785, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 53 VAL MGY 53 VAL HA 2.80 (# 52:20 Unique 2.39, 3.42 A)
&rst
ixpk= 52, nxpk= 20, iat= -1, 785, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 789, 790, 791, 793, 794, 795,
&end
#
# 120 LEU MDX 95 SER HB+ 3.50 (# 53:20 Unique 2.39, 5.09 A)
&rst
ixpk= 53, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1854,1855,1856,1858,1859,1860,
igr2=1447,1448,
&end
#
# 86 PRO HB- 86 PRO HA 2.80 (# 54:20 Unique 2.27, 2.61 A)
&rst
ixpk= 54, nxpk= 20, iat= -1,1305, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1302,1303,
&end
#
# 86 PRO HB+ 86 PRO HA 2.80 (# 55:20 Unique 2.27, 2.61 A)
&rst
ixpk= 55, nxpk= 20, iat= -1,1305, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1302,1303,
&end
#
# 0 AMB 20-2:56 0 AMB 20-1:56 2.80 (# 56:20 Double Ambig)
&rst
ixpk= 56, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 112, 113, 885, 886, 887, 889, 890, 891,
igr2= 115, 881,
&end
#
# 61 LYS HN 60 VAL HA 2.80 (# 57:20 Unique 2.13, 2.16 A)
&rst
ixpk= 57, nxpk= 20, iat= 895, 881, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 37 ALA HN 60 VAL HA 4.50 (# 58:20 Unique 3.25, 3.45 A)
&rst
ixpk= 58, nxpk= 20, iat= 580, 881, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 60 VAL MGY 60 VAL HA 2.80 (# 59:20 Unique 2.48, 3.15 A)
&rst
ixpk= 59, nxpk= 20, iat= -1, 881, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 885, 886, 887, 889, 890, 891,
&end
#
# 79 SER HN 79 SER HA 2.80 (# 60:20 Unique 2.79, 2.83 A)
&rst
ixpk= 60, nxpk= 20, iat=1183,1185, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 50 VAL HB 50 VAL HA 2.80 (# 61:20 Unique 2.39, 2.49 A)
&rst
ixpk= 61, nxpk= 20, iat= 740, 738, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 53 VAL MGY 50 VAL HA 3.50 (# 62:20 Unique 2.47, 5.13 A)
&rst
ixpk= 62, nxpk= 20, iat= -1, 738, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 789, 790, 791, 793, 794, 795,
&end
#
# 0 AMB 20-2:63 50 VAL HA 2.80 (# 63:20 Single Ambig)
&rst
ixpk= 63, nxpk= 20, iat= -1, 738, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 742, 743, 744, 746, 747, 748, 742, 743, 744, 746,
747, 748,
&end
#
# 91 VAL MGY 95 SER HB+ 4.50 (# 64:20 Unique 3.35, 6.76 A)
&rst
ixpk= 64, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1384,1385,1386,1388,1389,1390,
igr2=1447,1448,
&end
#
# 95 SER HN 95 SER HB+ 2.80 (# 65:20 Unique 2.25, 2.82 A)
&rst
ixpk= 65, nxpk= 20, iat=1443, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1447,1448,
&end
#
# 95 SER HN 95 SER HB- 3.50 (# 66:20 Unique 2.25, 2.82 A)
&rst
ixpk= 66, nxpk= 20, iat=1443, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1447,1448,
&end
#
# 95 SER HA 95 SER HB- 2.80 (# 67:20 Unique 2.31, 2.77 A)
&rst
ixpk= 67, nxpk= 20, iat=1445, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1447,1448,
&end
#
# 120 LEU MDX 95 SER HB- 2.80 (# 68:20 Unique 2.39, 5.09 A)
&rst
ixpk= 68, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1854,1855,1856,1858,1859,1860,
igr2=1447,1448,
&end
#
# 87 ARG HN 86 PRO HA 2.80 (# 69:20 Unique 2.13, 2.21 A)
&rst
ixpk= 69, nxpk= 20, iat=1309,1305, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 9 LYS HN 8 PRO HA 2.80 (# 70:20 Unique 2.12, 2.21 A)
&rst
ixpk= 70, nxpk= 20, iat= 119, 115, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 8 PRO HB- 8 PRO HA 2.80 (# 71:20 Unique 2.30, 2.52 A)
&rst
ixpk= 71, nxpk= 20, iat= -1, 115, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 112, 113,
&end
#
# 76 VAL MGX 8 PRO HA 2.80 (# 72:20 Unique 2.23, 3.82 A)
&rst
ixpk= 72, nxpk= 20, iat= -1, 115, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1145,1146,1147,1149,1150,1151,
&end
#
# 8 PRO HG+ 8 PRO HA 4.50 (# 73:20 Unique 2.96, 3.94 A)
&rst
ixpk= 73, nxpk= 20, iat= -1, 115, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 109, 110,
&end
#
# 97 LYS HN 94 SER HA 5.50 (# 74:20 Unique 3.26, 3.38 A)
&rst
ixpk= 74, nxpk= 20, iat=1464,1434, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 94 SER HN 94 SER HA 2.80 (# 75:20 Unique 2.83, 2.84 A)
&rst
ixpk= 75, nxpk= 20, iat=1432,1434, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 94 SER HN 95 SER HB+ 4.50 (# 76:20 Unique 4.69, 5.37 A)
&rst
ixpk= 76, nxpk= 20, iat=1432, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1447,1448,
&end
#
# 95 SER HN 95 SER HA 3.50 (# 77:20 Unique 2.83, 2.86 A)
&rst
ixpk= 77, nxpk= 20, iat=1443,1445, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:78 95 SER HA 2.80 (# 78:20 Single Ambig)
&rst
ixpk= 78, nxpk= 20, iat= -1,1445, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1490,1491,1490,1491,
&end
#
# 95 SER HB- 95 SER HA 2.80 (# 79:20 Unique 2.31, 2.77 A)
&rst
ixpk= 79, nxpk= 20, iat= -1,1445, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1447,1448,
&end
#
# 0 AMB 20-2:80 94 SER HA 3.50 (# 80:20 Single Ambig)
&rst
ixpk= 80, nxpk= 20, iat= -1,1434, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1468,1469,1468,1469,
&end
#
# 97 LYS HD+ 94 SER HA 3.50 (# 81:20 Unique 2.56, 3.30 A)
&rst
ixpk= 81, nxpk= 20, iat= -1,1434, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1474,1475,
&end
#
# 116 PHE HD 116 PHE HA 2.80 (# 82:20 Unique 2.37, 3.59 A)
&rst
ixpk= 82, nxpk= 20, iat= -1,1780, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1786,1794,
&end
#
# 17 PHE HN 16 ILE HA 2.80 (# 83:20 Unique 2.07, 2.13 A)
&rst
ixpk= 83, nxpk= 20, iat= 246, 229, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 74 TYR HA 16 ILE HA 3.50 (# 84:20 Unique 2.26, 2.38 A)
&rst
ixpk= 84, nxpk= 20, iat=1096, 229, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 97 LYS HN 97 LYS HA 3.50 (# 85:20 Unique 2.85, 2.85 A)
&rst
ixpk= 85, nxpk= 20, iat=1464,1466, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 97 LYS HG+ 97 LYS HA 2.80 (# 86:20 Unique 2.54, 2.71 A)
&rst
ixpk= 86, nxpk= 20, iat= -1,1466, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1471,1472,
&end
#
# 97 LYS HG- 97 LYS HA 2.80 (# 87:20 Unique 2.54, 2.71 A)
&rst
ixpk= 87, nxpk= 20, iat= -1,1466, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1471,1472,
&end
#
# 100 VAL MGX 97 LYS HA 2.80 (# 88:20 Unique 2.62, 4.41 A)
&rst
ixpk= 88, nxpk= 20, iat= -1,1466, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1524,1525,1526,1528,1529,1530,
&end
#
# 34 ILE QD1 97 LYS HA 2.80 (# 89:20 Unique 2.46, 3.14 A)
&rst
ixpk= 89, nxpk= 20, iat= -1,1466, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 538, 539, 540,
&end
#
# 90 GLU HG+ 90 GLU HA 3.50 (# 90:20 Unique 3.74, 3.86 A)
&rst
ixpk= 90, nxpk= 20, iat= -1,1365, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1370,1371,
&end
#
# 90 GLU HB- 90 GLU HA 2.80 (# 91:20 Unique 2.34, 2.42 A)
&rst
ixpk= 91, nxpk= 20, iat= -1,1365, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1367,1368,
&end
#
# 93 ILE HB 90 GLU HA 2.80 (# 92:20 Unique 2.58, 2.68 A)
&rst
ixpk= 92, nxpk= 20, iat=1417,1365, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 93 ILE QG2 90 GLU HA 4.50 (# 93:20 Preassigned 3.90, 4.60 A)
&rst
ixpk= 93, nxpk= 20, iat= -1,1365, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1419,1420,1421,
&end
#
# 125 SER HN 125 SER HA 3.50 (# 94:20 Unique 2.70, 2.77 A)
&rst
ixpk= 94, nxpk= 20, iat=1938,1940, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 125 SER HB+ 125 SER HA 2.80 (# 95:20 Unique 2.40, 2.74 A)
&rst
ixpk= 95, nxpk= 20, iat= -1,1940, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1942,1943,
&end
#
# 90 GLU HN 90 GLU HA 2.80 (# 96:20 Unique 2.82, 2.82 A)
&rst
ixpk= 96, nxpk= 20, iat=1363,1365, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 91 VAL HN 90 GLU HA 4.50 (# 97:20 Unique 3.53, 3.55 A)
&rst
ixpk= 97, nxpk= 20, iat=1378,1365, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 66 GLU HG+ 66 GLU HA 2.80 (# 98:20 Unique 2.64, 3.08 A)
&rst
ixpk= 98, nxpk= 20, iat= -1,1001, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1006,1007,
&end
#
# 66 GLU HB- 66 GLU HA 2.80 (# 99:20 Unique 2.34, 2.70 A)
&rst
ixpk= 99, nxpk= 20, iat= -1,1001, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1003,1004,
&end
#
# 0 AMB 20-2:100 66 GLU HA 4.50 (# 100:20 Single Ambig)
&rst
ixpk= 100, nxpk= 20, iat= -1,1001, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1058,1026,
&end
#
# 66 GLU HN 66 GLU HA 2.80 (# 101:20 Unique 2.75, 2.79 A)
&rst
ixpk= 101, nxpk= 20, iat= 999,1001, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 67 ASP HN 66 GLU HA 4.50 (# 102:20 Unique 3.54, 3.59 A)
&rst
ixpk= 102, nxpk= 20, iat=1014,1001, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 69 VAL MGY 66 GLU HA 3.50 (# 103:20 Preassigned 2.17, 4.28 A)
&rst
ixpk= 103, nxpk= 20, iat= -1,1001, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1048,1049,1050,1052,1053,1054,
&end
#
# 69 VAL MGX 66 GLU HA 4.50 (# 104:20 Unique 2.17, 4.28 A)
&rst
ixpk= 104, nxpk= 20, iat= -1,1001, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1048,1049,1050,1052,1053,1054,
&end
#
# 121 ARG HB+ 121 ARG HA 3.50 (# 105:20 Unique 2.43, 2.76 A)
&rst
ixpk= 105, nxpk= 20, iat= -1,1866, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1868,1869,
&end
#
# 0 AMB 20-2:106 121 ARG HA 2.80 (# 106:20 Single Ambig)
&rst
ixpk= 106, nxpk= 20, iat= -1,1866, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1404,1405,1868,1869,
&end
#
# 92 ILE QD1 121 ARG HA 3.50 (# 107:20 Unique 2.95, 4.15 A)
&rst
ixpk= 107, nxpk= 20, iat= -1,1866, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1407,1408,1409,
&end
#
# 92 ILE QG2 121 ARG HA 3.50 (# 108:20 Unique 2.66, 3.81 A)
&rst
ixpk= 108, nxpk= 20, iat= -1,1866, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1400,1401,1402,
&end
#
# 119 GLN HG+ 119 GLN HA 3.50 (# 110:20 Unique 2.39, 3.01 A)
&rst
ixpk= 110, nxpk= 20, iat= -1,1830, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1835,1836,
&end
#
# 119 GLN HB- 119 GLN HA 2.80 (# 111:20 Unique 2.46, 2.81 A)
&rst
ixpk= 111, nxpk= 20, iat= -1,1830, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1832,1833,
&end
#
# 119 GLN HB+ 119 GLN HA 2.80 (# 112:20 Unique 2.46, 2.81 A)
&rst
ixpk= 112, nxpk= 20, iat= -1,1830, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1832,1833,
&end
#
# 0 AMB 20-2:113 65 LEU HA 2.80 (# 113:20 Single Ambig)
&rst
ixpk= 113, nxpk= 20, iat= -1, 982, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 984, 985, 987,
&end
#
# 33 VAL MGX 65 LEU HA 3.50 (# 114:20 Unique 2.42, 3.46 A)
&rst
ixpk= 114, nxpk= 20, iat= -1, 982, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 515, 516, 517, 519, 520, 521,
&end
#
# 65 LEU MDY 65 LEU HA 4.50 (# 115:20 Unique 2.21, 3.82 A)
&rst
ixpk= 115, nxpk= 20, iat= -1, 982, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 989, 990, 991, 993, 994, 995,
&end
#
# 0 AMB 20-2:116 65 LEU HA 2.80 (# 116:20 Single Ambig)
&rst
ixpk= 116, nxpk= 20, iat= -1, 982, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 989, 990, 991, 993, 994, 995, 515, 516, 517, 519,
520, 521,
&end
#
# 0 AMB 20-2:117 114 GLU HA 2.80 (# 117:20 Single Ambig)
&rst
ixpk= 117, nxpk= 20, iat= -1,1748, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1804,1805,1806,1808,1809,1810,1750,1751,
&end
#
# 0 AMB 20-2:118 114 GLU HA 3.50 (# 118:20 Single Ambig)
&rst
ixpk= 118, nxpk= 20, iat= -1,1748, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1804,1805,1806,1808,1809,1810,1753,1754,
&end
#
# 0 AMB 20-2:119 115 HIS HA 2.80 (# 119:20 Single Ambig)
&rst
ixpk= 119, nxpk= 20, iat= -1,1763, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1765,1766,1765,1766,
&end
#
# 98 GLU HN 98 GLU HA 2.80 (# 120:20 Unique 2.84, 2.86 A)
&rst
ixpk= 120, nxpk= 20, iat=1486,1488, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 99 MET HN 98 GLU HA 3.50 (# 121:20 Unique 3.55, 3.56 A)
&rst
ixpk= 121, nxpk= 20, iat=1501,1488, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 98 GLU HG- 98 GLU HA 3.50 (# 122:20 Unique 2.35, 3.03 A)
&rst
ixpk= 122, nxpk= 20, iat= -1,1488, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1493,1494,
&end
#
# 98 GLU HG+ 98 GLU HA 2.80 (# 123:20 Unique 2.35, 3.03 A)
&rst
ixpk= 123, nxpk= 20, iat= -1,1488, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1493,1494,
&end
#
# 0 AMB 20-2:124 98 GLU HA 2.80 (# 124:20 Single Ambig)
&rst
ixpk= 124, nxpk= 20, iat= -1,1488, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1490,1491,1490,1491,
&end
#
# 100 VAL HN 98 GLU HA 5.50 (# 125:20 Unique 4.20, 4.62 A)
&rst
ixpk= 125, nxpk= 20, iat=1518,1488, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 120 LEU HB- 120 LEU HA 3.50 (# 126:20 Unique 2.44, 2.77 A)
&rst
ixpk= 126, nxpk= 20, iat= -1,1847, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1849,1850,
&end
#
# 120 LEU HG 120 LEU HA 3.50 (# 127:20 Preassigned 3.08, 3.21 A)
&rst
ixpk= 127, nxpk= 20, iat=1852,1847, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 120 LEU HB+ 120 LEU HA 2.80 (# 128:20 Unique 2.44, 2.77 A)
&rst
ixpk= 128, nxpk= 20, iat= -1,1847, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1849,1850,
&end
#
# 120 LEU MDX 120 LEU HA 2.80 (# 129:20 Unique 2.21, 3.84 A)
&rst
ixpk= 129, nxpk= 20, iat= -1,1847, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1854,1855,1856,1858,1859,1860,
&end
#
# 106 TYR HN 105 LYS HA 2.80 (# 130:20 Unique 2.18, 2.36 A)
&rst
ixpk= 130, nxpk= 20, iat=1619,1599, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 20-2:131 0 AMB 20-1:131 2.80 (# 131:20 Double Ambig)
&rst
ixpk= 131, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1607,1608,1704,1705,
igr2=1599,1699,
&end
#
# 111 ARG HB+ 111 ARG HA 3.50 (# 132:20 Unique 2.44, 2.78 A)
&rst
ixpk= 132, nxpk= 20, iat= -1,1699, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1701,1702,
&end
#
# 102 GLN HG- 102 GLN HA 3.50 (# 133:20 Unique 2.47, 2.84 A)
&rst
ixpk= 133, nxpk= 20, iat= -1,1543, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1548,1549,
&end
#
# 102 GLN HG+ 102 GLN HA 2.80 (# 134:20 Unique 2.47, 2.84 A)
&rst
ixpk= 134, nxpk= 20, iat= -1,1543, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1548,1549,
&end
#
# 83 GLU HN 83 GLU HA 3.50 (# 135:20 Unique 2.96, 2.98 A)
&rst
ixpk= 135, nxpk= 20, iat=1242,1244, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:136 83 GLU HA 2.80 (# 136:20 Single Ambig)
&rst
ixpk= 136, nxpk= 20, iat= -1,1244, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1249,1250,1249,1250,
&end
#
# 83 GLU HB+ 83 GLU HA 2.80 (# 137:20 Unique 2.45, 2.76 A)
&rst
ixpk= 137, nxpk= 20, iat= -1,1244, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1246,1247,
&end
#
# 65 LEU HN 64 ARG HA 2.80 (# 138:20 Unique 2.09, 2.14 A)
&rst
ixpk= 138, nxpk= 20, iat= 980, 958, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 32 TYR HA 64 ARG HA 2.80 (# 139:20 Unique 2.00, 2.17 A)
&rst
ixpk= 139, nxpk= 20, iat= 490, 958, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 64 ARG HG- 64 ARG HA 2.80 (# 140:20 Unique 2.27, 2.74 A)
&rst
ixpk= 140, nxpk= 20, iat= -1, 958, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 963, 964,
&end
#
# 64 ARG HB- 64 ARG HA 2.80 (# 141:20 Unique 2.44, 2.78 A)
&rst
ixpk= 141, nxpk= 20, iat= -1, 958, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 960, 961,
&end
#
# 0 AMB 20-2:142 67 ASP HA 4.50 (# 142:20 Single Ambig)
&rst
ixpk= 142, nxpk= 20, iat= -1,1016, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1058,1026,
&end
#
# 67 ASP HN 67 ASP HA 2.80 (# 143:20 Unique 2.79, 2.82 A)
&rst
ixpk= 143, nxpk= 20, iat=1014,1016, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 67 ASP HB+ 67 ASP HA 2.80 (# 144:20 Unique 2.46, 2.77 A)
&rst
ixpk= 144, nxpk= 20, iat= -1,1016, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1018,1019,
&end
#
# 102 GLN HN 102 GLN HA 2.80 (# 146:20 Unique 2.89, 2.90 A)
&rst
ixpk= 146, nxpk= 20, iat=1541,1543, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 102 GLN HB- 102 GLN HA 2.80 (# 147:20 Unique 2.44, 2.75 A)
&rst
ixpk= 147, nxpk= 20, iat= -1,1543, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1545,1546,
&end
#
# 5 HIS HB+ 5 HIS HA 2.80 (# 148:20 Unique 2.37, 2.67 A)
&rst
ixpk= 148, nxpk= 20, iat= -1, 58, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 60, 61,
&end
#
# 41 GLU HG+ 41 GLU HA 2.80 (# 149:20 Unique 2.37, 2.93 A)
&rst
ixpk= 149, nxpk= 20, iat= -1, 631, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 636, 637,
&end
#
# 41 GLU HB+ 41 GLU HA 2.80 (# 150:20 Unique 2.40, 2.78 A)
&rst
ixpk= 150, nxpk= 20, iat= -1, 631, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 633, 634,
&end
#
# 41 GLU HB- 41 GLU HA 3.50 (# 151:20 Unique 2.40, 2.78 A)
&rst
ixpk= 151, nxpk= 20, iat= -1, 631, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 633, 634,
&end
#
# 20 GLY HN 19 LEU HA 2.80 (# 152:20 Unique 2.13, 2.24 A)
&rst
ixpk= 152, nxpk= 20, iat= 309, 292, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 19 LEU HB- 19 LEU HA 3.50 (# 153:20 Unique 2.45, 2.79 A)
&rst
ixpk= 153, nxpk= 20, iat= -1, 292, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 294, 295,
&end
#
# 0 AMB 20-2:154 19 LEU HA 2.80 (# 154:20 Single Ambig)
&rst
ixpk= 154, nxpk= 20, iat= -1, 292, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 294, 295, 297,
&end
#
# 0 AMB 20-2:155 19 LEU HA 3.50 (# 155:20 Single Ambig)
&rst
ixpk= 155, nxpk= 20, iat= -1, 292, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 299, 300, 301, 303, 304, 305, 299, 300, 301, 303,
304, 305,
&end
#
# 88 PRO HD- 87 ARG HA 2.80 (# 156:20 Unique 2.10, 2.46 A)
&rst
ixpk= 156, nxpk= 20, iat= -1,1311, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1334,1335,
&end
#
# 99 MET HG- 99 MET HA 3.50 (# 157:20 Unique 2.70, 3.21 A)
&rst
ixpk= 157, nxpk= 20, iat= -1,1503, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1508,1509,
&end
#
# 80 LEU MDY 80 LEU HA 2.80 (# 158:20 Unique 2.31, 3.86 A)
&rst
ixpk= 158, nxpk= 20, iat= -1,1196, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1203,1204,1205,1207,1208,1209,
&end
#
# 80 LEU HG 80 LEU HA 3.50 (# 159:20 Unique 3.30, 3.36 A)
&rst
ixpk= 159, nxpk= 20, iat=1201,1196, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 80 LEU HB- 80 LEU HA 3.50 (# 160:20 Unique 2.34, 2.71 A)
&rst
ixpk= 160, nxpk= 20, iat= -1,1196, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1198,1199,
&end
#
# 30 ASP HB+ 30 ASP HA 2.80 (# 161:20 Unique 2.36, 2.76 A)
&rst
ixpk= 161, nxpk= 20, iat= -1, 471, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 473, 474,
&end
#
# 0 AMB 20-2:162 0 AMB 20-1:162 2.80 (# 162:20 Double Ambig)
&rst
ixpk= 162, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 473, 474,1929,1930,
igr2= 471,1311,
&end
#
# 88 PRO HD+ 87 ARG HA 2.80 (# 163:20 Unique 2.10, 2.46 A)
&rst
ixpk= 163, nxpk= 20, iat= -1,1311, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1334,1335,
&end
#
# 54 LEU MDX 54 LEU HA 2.80 (# 164:20 Unique 2.20, 3.87 A)
&rst
ixpk= 164, nxpk= 20, iat= -1, 801, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 808, 809, 810, 812, 813, 814,
&end
#
# 99 MET HG+ 99 MET HA 2.80 (# 165:20 Unique 2.70, 3.21 A)
&rst
ixpk= 165, nxpk= 20, iat= -1,1503, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1508,1509,
&end
#
# 102 GLN HG- 99 MET HA 3.50 (# 166:20 Unique 2.98, 3.83 A)
&rst
ixpk= 166, nxpk= 20, iat= -1,1503, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1548,1549,
&end
#
# 99 MET HB- 99 MET HA 2.80 (# 167:20 Unique 2.50, 2.77 A)
&rst
ixpk= 167, nxpk= 20, iat= -1,1503, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1505,1506,
&end
#
# 0 AMB 20-2:168 99 MET HA 4.50 (# 168:20 Single Ambig)
&rst
ixpk= 168, nxpk= 20, iat= -1,1503, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1=1512,1513,1514,1490,1491,1490,1491,
&end
#
# 0 AMB 20-2:169 0 AMB 20-1:169 2.80 (# 169:20 Double Ambig)
&rst
ixpk= 169, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.11, r4= 4.86,
igr1=1920,1921, 803, 804, 806,
igr2=1918, 801,
&end
#
# 125 SER HN 124 LYS HA 3.50 (# 170:20 Unique 2.22, 2.40 A)
&rst
ixpk= 170, nxpk= 20, iat=1938,1918, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 124 LYS HB+ 124 LYS HA 2.80 (# 171:20 Unique 2.29, 2.44 A)
&rst
ixpk= 171, nxpk= 20, iat= -1,1918, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1920,1921,
&end
#
# 0 AMB 20-2:172 124 LYS HA 5.50 (# 172:20 Single Ambig)
&rst
ixpk= 172, nxpk= 20, iat= -1,1918, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1926,1927,1926,1927,
&end
#
# 6 GLN HB+ 6 GLN HA 2.80 (# 173:20 Unique 2.45, 2.78 A)
&rst
ixpk= 173, nxpk= 20, iat= -1, 75, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 77, 78,
&end
#
# 7 GLU HN 6 GLN HA 3.50 (# 174:20 Unique 2.20, 2.28 A)
&rst
ixpk= 174, nxpk= 20, iat= 90, 75, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 6 GLN HG+ 6 GLN HA 2.80 (# 175:20 Unique 2.52, 2.91 A)
&rst
ixpk= 175, nxpk= 20, iat= -1, 75, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 80, 81,
&end
#
# 6 GLN HB- 6 GLN HA 2.80 (# 176:20 Unique 2.45, 2.78 A)
&rst
ixpk= 176, nxpk= 20, iat= -1, 75, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 77, 78,
&end
#
# 96 ALA HN 96 ALA HA 3.50 (# 177:20 Unique 2.82, 2.83 A)
&rst
ixpk= 177, nxpk= 20, iat=1454,1456, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 96 ALA MB 96 ALA HA 2.80 (# 178:20 Unique 2.41, 2.68 A)
&rst
ixpk= 178, nxpk= 20, iat= -1,1456, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1458,1459,1460,
&end
#
# 120 LEU MDX 96 ALA HA 2.80 (# 179:20 Unique 2.32, 3.32 A)
&rst
ixpk= 179, nxpk= 20, iat= -1,1456, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1854,1855,1856,1858,1859,1860,
&end
#
# 120 LEU MDY 96 ALA HA 2.80 (# 180:20 Unique 2.32, 3.32 A)
&rst
ixpk= 180, nxpk= 20, iat= -1,1456, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1854,1855,1856,1858,1859,1860,
&end
#
# 16 ILE HN 15 GLU HA 2.80 (# 181:20 Unique 2.15, 2.20 A)
&rst
ixpk= 181, nxpk= 20, iat= 227, 214, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 24 TRP HA 15 GLU HA 4.50 (# 182:20 Unique 2.55, 2.74 A)
&rst
ixpk= 182, nxpk= 20, iat= 371, 214, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 8 PRO HD- 7 GLU HA 2.80 (# 183:20 Unique 2.08, 2.33 A)
&rst
ixpk= 183, nxpk= 20, iat= -1, 92, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 106, 107,
&end
#
# 8 PRO HD+ 7 GLU HA 2.80 (# 184:20 Unique 2.08, 2.33 A)
&rst
ixpk= 184, nxpk= 20, iat= -1, 92, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 106, 107,
&end
#
# 7 GLU HG- 7 GLU HA 3.50 (# 185:20 Unique 2.29, 2.89 A)
&rst
ixpk= 185, nxpk= 20, iat= -1, 92, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 97, 98,
&end
#
# 7 GLU HB- 7 GLU HA 2.80 (# 186:20 Unique 2.37, 2.72 A)
&rst
ixpk= 186, nxpk= 20, iat= -1, 92, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 94, 95,
&end
#
# 7 GLU HB+ 7 GLU HA 2.80 (# 187:20 Unique 2.37, 2.72 A)
&rst
ixpk= 187, nxpk= 20, iat= -1, 92, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 94, 95,
&end
#
# 60 VAL HA 36 LEU HA 2.80 (# 188:20 Unique 2.10, 2.25 A)
&rst
ixpk= 188, nxpk= 20, iat= 881, 563, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 37 ALA HN 36 LEU HA 2.80 (# 189:20 Unique 2.13, 2.20 A)
&rst
ixpk= 189, nxpk= 20, iat= 580, 563, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 36 LEU MDX 36 LEU HA 2.80 (# 190:20 Unique 2.15, 3.81 A)
&rst
ixpk= 190, nxpk= 20, iat= -1, 563, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 570, 571, 572, 574, 575, 576,
&end
#
# 45 ALA MB 45 ALA HA 2.80 (# 191:20 Unique 2.41, 2.67 A)
&rst
ixpk= 191, nxpk= 20, iat= -1, 688, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 690, 691, 692,
&end
#
# 59 GLU HN 58 ALA HA 2.80 (# 192:20 Unique 2.24, 2.35 A)
&rst
ixpk= 192, nxpk= 20, iat= 864, 856, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 58 ALA MB 58 ALA HA 2.80 (# 193:20 Unique 2.43, 2.67 A)
&rst
ixpk= 193, nxpk= 20, iat= -1, 856, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 858, 859, 860,
&end
#
# 85 GLN HA 86 PRO HD+ 2.80 (# 194:20 Unique 2.04, 2.53 A)
&rst
ixpk= 194, nxpk= 20, iat=1280, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1296,1297,
&end
#
# 0 AMB 20-2:195 0 AMB 20-1:195 2.80 (# 195:20 Double Ambig)
&rst
ixpk= 195, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1282,1283,1299,1300,
igr2=1296,1297,1296,1297,
&end
#
# 85 GLN HA 86 PRO HD- 2.80 (# 196:20 Unique 2.04, 2.53 A)
&rst
ixpk= 196, nxpk= 20, iat=1280, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1296,1297,
&end
#
# 0 AMB 20-2:197 86 PRO HD- 2.80 (# 197:20 Single Ambig)
&rst
ixpk= 197, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1282,1283,1299,1300,
igr2=1296,1297,
&end
#
# 42 TYR HA 43 PRO HD+ 3.50 (# 198:20 Unique 2.01, 2.63 A)
&rst
ixpk= 198, nxpk= 20, iat= 646, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 666, 667,
&end
#
# 0 AMB 20-2:199 0 AMB 20-1:199 2.80 (# 199:20 Double Ambig)
&rst
ixpk= 199, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 669, 670, 633, 634,
igr2= 666, 667, 666, 667,
&end
#
# 0 AMB 20-2:202 43 PRO HD- 4.50 (# 202:20 Single Ambig)
&rst
ixpk= 202, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 648, 649, 833, 834,
igr2= 666, 667,
&end
#
# 42 TYR HA 43 PRO HD- 3.50 (# 203:20 Unique 2.01, 2.63 A)
&rst
ixpk= 203, nxpk= 20, iat= 646, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 666, 667,
&end
#
# 42 TYR HB+ 43 PRO HD- 4.50 (# 204:20 Unique 2.19, 3.94 A)
&rst
ixpk= 204, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 648, 649,
igr2= 666, 667,
&end
#
# 0 AMB 20-2:205 43 PRO HD- 2.80 (# 205:20 Single Ambig)
&rst
ixpk= 205, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 669, 670, 633, 634,
igr2= 666, 667,
&end
#
# 9 LYS HA 10 PRO HD+ 2.80 (# 206:20 Unique 2.12, 2.58 A)
&rst
ixpk= 206, nxpk= 20, iat= 121, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 142, 143,
&end
#
# 9 LYS HB+ 10 PRO HD+ 2.80 (# 207:20 Unique 2.10, 3.45 A)
&rst
ixpk= 207, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 123, 124,
igr2= 142, 143,
&end
#
# 0 AMB 20-2:208 0 AMB 20-1:208 2.80 (# 208:20 Double Ambig)
&rst
ixpk= 208, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 123, 124, 129, 130,
igr2= 142, 143, 142, 143,
&end
#
# 9 LYS HD- 10 PRO HD- 3.50 (# 210:20 Unique 2.33, 3.31 A)
&rst
ixpk= 210, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 129, 130,
igr2= 142, 143,
&end
#
# 7 GLU HA 8 PRO HD- 2.80 (# 211:20 Unique 2.08, 2.33 A)
&rst
ixpk= 211, nxpk= 20, iat= 92, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 106, 107,
&end
#
# 8 PRO HG+ 8 PRO HD- 3.50 (# 213:20 Unique 2.32, 2.61 A)
&rst
ixpk= 213, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 109, 110,
igr2= 106, 107,
&end
#
# 7 GLU HB- 8 PRO HD+ 3.50 (# 217:20 Unique 2.25, 4.23 A)
&rst
ixpk= 217, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 94, 95,
igr2= 106, 107,
&end
#
# 8 PRO HG+ 8 PRO HD+ 3.50 (# 218:20 Unique 2.32, 2.61 A)
&rst
ixpk= 218, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 109, 110,
igr2= 106, 107,
&end
#
# 9 LYS HD- 10 PRO HD+ 3.50 (# 220:20 Unique 2.33, 3.31 A)
&rst
ixpk= 220, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 129, 130,
igr2= 142, 143,
&end
#
# 87 ARG HA 88 PRO HD+ 2.80 (# 221:20 Unique 2.10, 2.46 A)
&rst
ixpk= 221, nxpk= 20, iat=1311, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1334,1335,
&end
#
# 0 AMB 20-2:222 0 AMB 20-1:222 2.80 (# 222:20 Double Ambig)
&rst
ixpk= 222, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 594, 595, 129, 130,
igr2= 591, 592, 142, 143,
&end
#
# 37 ALA HA 38 PRO HD- 2.80 (# 223:20 Unique 2.08, 2.38 A)
&rst
ixpk= 223, nxpk= 20, iat= 582, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 591, 592,
&end
#
# 8 PRO HG- 8 PRO HD- 3.50 (# 225:20 Unique 2.32, 2.61 A)
&rst
ixpk= 225, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 109, 110,
igr2= 106, 107,
&end
#
# 37 ALA HA 38 PRO HD+ 2.80 (# 226:20 Unique 2.08, 2.38 A)
&rst
ixpk= 226, nxpk= 20, iat= 582, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 591, 592,
&end
#
# 38 PRO HG- 38 PRO HD+ 2.80 (# 227:20 Unique 2.32, 2.61 A)
&rst
ixpk= 227, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 594, 595,
igr2= 591, 592,
&end
#
# 37 ALA MB 38 PRO HD+ 3.50 (# 229:20 Unique 2.52, 4.27 A)
&rst
ixpk= 229, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 584, 585, 586,
igr2= 591, 592,
&end
#
# 91 VAL MGX 88 PRO HD- 3.50 (# 230:20 Unique 4.23, 5.79 A)
&rst
ixpk= 230, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1384,1385,1386,1388,1389,1390,
igr2=1334,1335,
&end
#
# 7 GLU HA 8 PRO HD+ 2.80 (# 231:20 Unique 2.08, 2.33 A)
&rst
ixpk= 231, nxpk= 20, iat= 92, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 106, 107,
&end
#
# 8 PRO HG- 8 PRO HD+ 2.80 (# 232:20 Unique 2.32, 2.61 A)
&rst
ixpk= 232, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 109, 110,
igr2= 106, 107,
&end
#
# 7 GLU HB+ 8 PRO HD+ 3.50 (# 233:20 Unique 2.25, 4.23 A)
&rst
ixpk= 233, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 94, 95,
igr2= 106, 107,
&end
#
# 88 PRO HG+ 88 PRO HD+ 2.80 (# 235:20 Unique 2.26, 2.59 A)
&rst
ixpk= 235, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1337,1338,
igr2=1334,1335,
&end
#
# 87 ARG HB+ 88 PRO HD+ 3.50 (# 236:20 Preassigned 2.19, 3.69 A)
&rst
ixpk= 236, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1313,1314,
igr2=1334,1335,
&end
#
# 87 ARG HA 88 PRO HD- 2.80 (# 238:20 Unique 2.10, 2.46 A)
&rst
ixpk= 238, nxpk= 20, iat=1311, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1334,1335,
&end
#
# 88 PRO HG+ 88 PRO HD- 2.80 (# 240:20 Unique 2.26, 2.59 A)
&rst
ixpk= 240, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1337,1338,
igr2=1334,1335,
&end
#
# 88 PRO HG- 88 PRO HD- 2.80 (# 241:20 Unique 2.26, 2.59 A)
&rst
ixpk= 241, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1337,1338,
igr2=1334,1335,
&end
#
# 87 ARG HB+ 88 PRO HD- 3.50 (# 242:20 Preassigned 2.19, 3.69 A)
&rst
ixpk= 242, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1313,1314,
igr2=1334,1335,
&end
#
# 38 PRO HD- 37 ALA HA 2.80 (# 243:20 Unique 2.08, 2.38 A)
&rst
ixpk= 243, nxpk= 20, iat= -1, 582, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 591, 592,
&end
#
# 38 PRO HD+ 37 ALA HA 2.80 (# 244:20 Unique 2.08, 2.38 A)
&rst
ixpk= 244, nxpk= 20, iat= -1, 582, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 591, 592,
&end
#
# 37 ALA MB 37 ALA HA 2.80 (# 245:20 Unique 2.42, 2.66 A)
&rst
ixpk= 245, nxpk= 20, iat= -1, 582, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 584, 585, 586,
&end
#
# 70 GLY HN 70 GLY HA- 2.80 (# 246:20 Unique 2.29, 2.56 A)
&rst
ixpk= 246, nxpk= 20, iat=1058, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1060,1061,
&end
#
# 70 GLY HN 70 GLY HA+ 2.80 (# 248:20 Unique 2.29, 2.56 A)
&rst
ixpk= 248, nxpk= 20, iat=1058, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1060,1061,
&end
#
# 123 GLY HN 123 GLY HA- 2.80 (# 254:20 Unique 2.29, 2.67 A)
&rst
ixpk= 254, nxpk= 20, iat=1909, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1911,1912,
&end
#
# 31 GLY HN 31 GLY HA- 2.80 (# 257:20 Unique 2.33, 2.66 A)
&rst
ixpk= 257, nxpk= 20, iat= 481, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 483, 484,
&end
#
# 123 GLY HN 123 GLY HA+ 2.80 (# 258:20 Unique 2.29, 2.67 A)
&rst
ixpk= 258, nxpk= 20, iat=1909, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1911,1912,
&end
#
# 26 LEU HN 26 LEU HB- 3.50 (# 260:20 Unique 2.39, 2.63 A)
&rst
ixpk= 260, nxpk= 20, iat= 403, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 407, 408,
&end
#
# 26 LEU MDX 26 LEU HB- 3.50 (# 262:20 Unique 2.41, 3.55 A)
&rst
ixpk= 262, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 412, 413, 414, 416, 417, 418,
igr2= 407, 408,
&end
#
# 26 LEU HG 26 LEU HB- 3.50 (# 263:20 Unique 2.34, 2.40 A)
&rst
ixpk= 263, nxpk= 20, iat= 410, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 407, 408,
&end
#
# 26 LEU HN 26 LEU HB+ 4.50 (# 264:20 Unique 2.39, 2.63 A)
&rst
ixpk= 264, nxpk= 20, iat= 403, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 407, 408,
&end
#
# 26 LEU MDX 26 LEU HB+ 3.50 (# 266:20 Unique 2.41, 3.55 A)
&rst
ixpk= 266, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 412, 413, 414, 416, 417, 418,
igr2= 407, 408,
&end
#
# 26 LEU HG 26 LEU HB+ 3.50 (# 267:20 Unique 2.34, 2.40 A)
&rst
ixpk= 267, nxpk= 20, iat= 410, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 407, 408,
&end
#
# 26 LEU HA 26 LEU HB+ 4.50 (# 268:20 Unique 2.48, 2.83 A)
&rst
ixpk= 268, nxpk= 20, iat= 405, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 407, 408,
&end
#
# 0 AMB 20-2:270 0 AMB 20-1:270 2.80 (# 270:20 Double Ambig)
&rst
ixpk= 270, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 412, 413, 414, 416, 417, 418,1400,1401,1402,
igr2= 157, 158, 157, 158,
&end
#
# 0 AMB 20-2:272 11 GLY HA- 2.80 (# 272:20 Single Ambig)
&rst
ixpk= 272, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 412, 413, 414, 416, 417, 418,1400,1401,1402,
igr2= 157, 158,
&end
#
# 102 GLN HN 101 GLY HA- 3.50 (# 273:20 Unique 3.20, 3.36 A)
&rst
ixpk= 273, nxpk= 20, iat=1541, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1536,1537,
&end
#
# 101 GLY HN 101 GLY HA- 2.80 (# 274:20 Unique 2.35, 2.67 A)
&rst
ixpk= 274, nxpk= 20, iat=1534, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1536,1537,
&end
#
# 101 GLY HN 101 GLY HA+ 2.80 (# 276:20 Unique 2.35, 2.67 A)
&rst
ixpk= 276, nxpk= 20, iat=1534, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1536,1537,
&end
#
# 87 ARG HB+ 87 ARG HD+ 3.50 (# 278:20 Unique 2.43, 3.46 A)
&rst
ixpk= 278, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1313,1314,
igr2=1319,1320,
&end
#
# 29 GLY HN 29 GLY HA+ 3.50 (# 280:20 Unique 2.35, 2.70 A)
&rst
ixpk= 280, nxpk= 20, iat= 462, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 464, 465,
&end
#
# 0 AMB 20-2:283 18 ARG HD- 3.50 (# 283:20 Single Ambig)
&rst
ixpk= 283, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 273, 274, 270, 271,
igr2= 276, 277,
&end
#
# 0 AMB 20-2:284 0 AMB 20-1:284 4.50 (# 284:20 Double Ambig)
&rst
ixpk= 284, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1122,1123, 273, 274,
igr2=1125,1126, 276, 277,
&end
#
# 0 AMB 20-2:285 0 AMB 20-1:285 2.80 (# 285:20 Double Ambig)
&rst
ixpk= 285, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 273, 274, 270, 271,
igr2= 276, 277, 276, 277,
&end
#
# 111 ARG HG+ 111 ARG HD+ 2.80 (# 286:20 Unique 2.34, 2.67 A)
&rst
ixpk= 286, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1704,1705,
igr2=1707,1708,
&end
#
# 111 ARG HG+ 111 ARG HD- 2.80 (# 287:20 Unique 2.34, 2.67 A)
&rst
ixpk= 287, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1704,1705,
igr2=1707,1708,
&end
#
# 75 ARG HB- 75 ARG HD- 3.50 (# 288:20 Unique 2.40, 3.02 A)
&rst
ixpk= 288, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1119,1120,
igr2=1125,1126,
&end
#
# 75 ARG HG- 75 ARG HD- 3.50 (# 289:20 Unique 2.31, 2.69 A)
&rst
ixpk= 289, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1122,1123,
igr2=1125,1126,
&end
#
# 75 ARG HB- 75 ARG HD+ 3.50 (# 290:20 Unique 2.40, 3.02 A)
&rst
ixpk= 290, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1119,1120,
igr2=1125,1126,
&end
#
# 0 AMB 20-2:292 62 ARG HD- 2.80 (# 292:20 Single Ambig)
&rst
ixpk= 292, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 924, 925, 921, 922,
igr2= 927, 928,
&end
#
# 62 ARG HG+ 62 ARG HD- 2.80 (# 293:20 Unique 2.40, 2.67 A)
&rst
ixpk= 293, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 924, 925,
igr2= 927, 928,
&end
#
# 28 ILE QD1 62 ARG HD- 3.50 (# 294:20 Unique 2.31, 3.67 A)
&rst
ixpk= 294, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 456, 457, 458,
igr2= 927, 928,
&end
#
# 0 AMB 20-2:295 0 AMB 20-1:295 2.80 (# 295:20 Double Ambig)
&rst
ixpk= 295, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1871,1872, 924, 925, 921, 922,
igr2=1874,1875, 927, 928, 927, 928,
&end
#
# 0 AMB 20-2:296 0 AMB 20-1:296 2.80 (# 296:20 Double Ambig)
&rst
ixpk= 296, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.99, r4= 5.74,
igr1= 924, 925, 183, 184, 185, 187, 188, 189,
igr2= 927, 928,1874,1875,
&end
#
# 34 ILE QD1 62 ARG HD+ 4.50 (# 297:20 Unique 2.88, 4.86 A)
&rst
ixpk= 297, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 538, 539, 540,
igr2= 927, 928,
&end
#
# 0 AMB 20-2:298 0 AMB 20-1:298 3.50 (# 298:20 Double Ambig)
&rst
ixpk= 298, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 456, 457, 458,1203,1204,1205,1207,1208,1209,
igr2= 927, 928,1874,1875,
&end
#
# 12 ASP HN 12 ASP HB+ 4.50 (# 299:20 Unique 2.35, 2.99 A)
&rst
ixpk= 299, nxpk= 20, iat= 162, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 166, 167,
&end
#
# 76 VAL MGY 12 ASP HB+ 2.80 (# 300:20 Unique 2.27, 4.14 A)
&rst
ixpk= 300, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1145,1146,1147,1149,1150,1151,
igr2= 166, 167,
&end
#
# 64 ARG HG- 64 ARG HD+ 3.50 (# 301:20 Unique 2.33, 2.68 A)
&rst
ixpk= 301, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 963, 964,
igr2= 966, 967,
&end
#
# 64 ARG HG- 64 ARG HD- 2.80 (# 302:20 Unique 2.33, 2.68 A)
&rst
ixpk= 302, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 963, 964,
igr2= 966, 967,
&end
#
# 9 LYS HN 12 ASP HB- 3.50 (# 304:20 Unique 2.42, 3.26 A)
&rst
ixpk= 304, nxpk= 20, iat= 119, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 166, 167,
&end
#
# 12 ASP HN 12 ASP HB- 3.50 (# 305:20 Unique 2.35, 2.99 A)
&rst
ixpk= 305, nxpk= 20, iat= 162, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 166, 167,
&end
#
# 76 VAL MGX 12 ASP HB+ 3.50 (# 307:20 Unique 2.27, 4.14 A)
&rst
ixpk= 307, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1145,1146,1147,1149,1150,1151,
igr2= 166, 167,
&end
#
# 0 AMB 20-2:308 0 AMB 20-1:308 4.50 (# 308:20 Double Ambig)
&rst
ixpk= 308, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1003,1004, 94, 95,
igr2= 966, 967, 132, 133,
&end
#
# 0 AMB 20-2:310 0 AMB 20-1:310 2.80 (# 310:20 Double Ambig)
&rst
ixpk= 310, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 123, 124, 129, 130,
igr2= 132, 133, 132, 133,
&end
#
# 0 AMB 20-2:311 0 AMB 20-1:311 2.80 (# 311:20 Double Ambig)
&rst
ixpk= 311, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 126, 127, 126, 127,
igr2= 132, 133, 132, 133,
&end
#
# 105 LYS HG+ 105 LYS HE+ 2.80 (# 312:20 Unique 2.42, 3.00 A)
&rst
ixpk= 312, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1604,1605,
igr2=1610,1611,
&end
#
# 105 LYS HD- 105 LYS HE+ 2.80 (# 313:20 Unique 2.37, 2.76 A)
&rst
ixpk= 313, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1607,1608,
igr2=1610,1611,
&end
#
# 105 LYS HG- 105 LYS HE+ 3.50 (# 314:20 Unique 2.42, 3.00 A)
&rst
ixpk= 314, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1604,1605,
igr2=1610,1611,
&end
#
# 0 AMB 20-2:315 0 AMB 20-1:315 3.50 (# 315:20 Double Ambig)
&rst
ixpk= 315, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1562,1563, 868, 869,
igr2=1571,1572,1571,1572,
&end
#
# 103 LYS HD+ 103 LYS HE+ 2.80 (# 316:20 Unique 2.29, 2.74 A)
&rst
ixpk= 316, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1568,1569,
igr2=1571,1572,
&end
#
# 0 AMB 20-2:317 0 AMB 20-1:317 3.50 (# 317:20 Double Ambig)
&rst
ixpk= 317, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1565,1566,1568,1569,
igr2=1571,1572,1571,1572,
&end
#
# 103 LYS HG+ 103 LYS HE+ 3.50 (# 318:20 Unique 2.12, 3.02 A)
&rst
ixpk= 318, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1565,1566,
igr2=1571,1572,
&end
#
# 32 TYR HD 32 TYR HB- 2.80 (# 319:20 Unique 2.35, 3.08 A)
&rst
ixpk= 319, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 496, 505,
igr2= 492, 493,
&end
#
# 61 LYS HD+ 61 LYS HE+ 2.80 (# 320:20 Unique 2.37, 2.65 A)
&rst
ixpk= 320, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 905, 906,
igr2= 908, 909,
&end
#
# 37 ALA MB 61 LYS HE+ 2.80 (# 321:20 Unique 1.95, 3.98 A)
&rst
ixpk= 321, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 584, 585, 586,
igr2= 908, 909,
&end
#
# 32 TYR HA 32 TYR HB+ 3.50 (# 322:20 Unique 2.51, 2.80 A)
&rst
ixpk= 322, nxpk= 20, iat= 490, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 492, 493,
&end
#
# 120 LEU HN 120 LEU HB- 3.50 (# 323:20 Unique 2.49, 3.10 A)
&rst
ixpk= 323, nxpk= 20, iat=1845, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1849,1850,
&end
#
# 0 AMB 20-2:324 120 LEU HB- 2.80 (# 324:20 Single Ambig)
&rst
ixpk= 324, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1847,1800,
igr2=1849,1850,
&end
#
# 0 AMB 20-2:325 120 LEU HB- 3.50 (# 325:20 Single Ambig)
&rst
ixpk= 325, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1852,1458,1459,1460,
igr2=1849,1850,
&end
#
# 0 AMB 20-2:327 120 LEU HB- 3.50 (# 327:20 Single Ambig)
&rst
ixpk= 327, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1400,1401,1402, 412, 413, 414, 416, 417, 418,
igr2=1849,1850,
&end
#
# 120 LEU MDY 120 LEU HB- 3.50 (# 328:20 Unique 2.40, 3.32 A)
&rst
ixpk= 328, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1854,1855,1856,1858,1859,1860,
igr2=1849,1850,
&end
#
# 54 LEU HA 54 LEU HB- 2.80 (# 329:20 Unique 2.41, 2.77 A)
&rst
ixpk= 329, nxpk= 20, iat= 801, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 803, 804,
&end
#
# 54 LEU MDY 54 LEU HB- 2.80 (# 330:20 Unique 2.39, 3.34 A)
&rst
ixpk= 330, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 808, 809, 810, 812, 813, 814,
igr2= 803, 804,
&end
#
# 54 LEU HA 54 LEU HB+ 2.80 (# 331:20 Unique 2.41, 2.77 A)
&rst
ixpk= 331, nxpk= 20, iat= 801, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 803, 804,
&end
#
# 54 LEU MDY 54 LEU HB+ 2.80 (# 332:20 Unique 2.39, 3.34 A)
&rst
ixpk= 332, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 808, 809, 810, 812, 813, 814,
igr2= 803, 804,
&end
#
# 0 AMB 20-2:333 0 AMB 20-1:333 3.50 (# 333:20 Double Ambig)
&rst
ixpk= 333, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1852, 412, 413, 414, 416, 417, 418,1458,1459,1460,
igr2=1849,1850,1849,1850,1849,1850,
&end
#
# 0 AMB 20-2:334 0 AMB 20-1:334 3.50 (# 334:20 Double Ambig)
&rst
ixpk= 334, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1400,1401,1402, 412, 413, 414, 416, 417, 418,
igr2=1849,1850,1849,1850,
&end
#
# 0 AMB 20-2:335 0 AMB 20-1:335 2.80 (# 335:20 Double Ambig)
&rst
ixpk= 335, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1847,1800,1447,1448,
igr2=1849,1850,1849,1850,1849,1850,
&end
#
# 0 AMB 20-2:337 0 AMB 20-1:337 2.80 (# 337:20 Double Ambig)
&rst
ixpk= 337, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.88, r4= 5.63,
igr1=1854,1855,1856,1858,1859,1860, 410,
igr2=1849,1850,1849,1850,
&end
#
# 120 LEU MDY 120 LEU HB+ 2.80 (# 338:20 Unique 2.40, 3.32 A)
&rst
ixpk= 338, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1854,1855,1856,1858,1859,1860,
igr2=1849,1850,
&end
#
# 32 TYR HD 32 TYR HB- 2.80 (# 339:20 Unique 2.35, 3.08 A)
&rst
ixpk= 339, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 496, 505,
igr2= 492, 493,
&end
#
# 97 LYS HD+ 97 LYS HE- 2.80 (# 340:20 Unique 2.48, 2.78 A)
&rst
ixpk= 340, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1474,1475,
igr2=1477,1478,
&end
#
# 93 ILE QG2 97 LYS HE- 4.50 (# 341:20 Unique 2.28, 3.70 A)
&rst
ixpk= 341, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1419,1420,1421,
igr2=1477,1478,
&end
#
# 0 AMB 20-2:343 0 AMB 20-1:343 3.50 (# 343:20 Double Ambig)
&rst
ixpk= 343, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
igr1= 453, 454, 456, 457, 458,
igr2= 492, 493,1477,1478,
&end
#
# 32 TYR HN 32 TYR HB- 3.50 (# 344:20 Unique 2.27, 2.97 A)
&rst
ixpk= 344, nxpk= 20, iat= 488, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 492, 493,
&end
#
# 32 TYR HA 32 TYR HB- 3.50 (# 345:20 Unique 2.51, 2.80 A)
&rst
ixpk= 345, nxpk= 20, iat= 490, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 492, 493,
&end
#
# 0 AMB 20-2:346 0 AMB 20-1:346 2.80 (# 346:20 Double Ambig)
&rst
ixpk= 346, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 868, 869,1471,1472,
igr2= 908, 909,1477,1478,
&end
#
# 0 AMB 20-2:347 0 AMB 20-1:347 4.50 (# 347:20 Double Ambig)
&rst
ixpk= 347, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 871, 872,1468,1469,1468,1469,
igr2= 908, 909,1477,1478,
&end
#
# 0 AMB 20-2:348 0 AMB 20-1:348 2.80 (# 348:20 Double Ambig)
&rst
ixpk= 348, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 902, 903,1471,1472,
igr2= 908, 909,1477,1478,
&end
#
# 0 AMB 20-2:349 0 AMB 20-1:349 2.80 (# 349:20 Double Ambig)
&rst
ixpk= 349, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1920,1921,1474,1475,
igr2=1929,1930,1477,1478,
&end
#
# 93 ILE QG2 97 LYS HE+ 2.80 (# 350:20 Preassigned 2.28, 3.70 A)
&rst
ixpk= 350, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1419,1420,1421,
igr2=1477,1478,
&end
#
# 0 AMB 20-2:351 0 AMB 20-1:351 5.50 (# 351:20 Double Ambig)
&rst
ixpk= 351, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.69, r4=11.44,
igr1= 449, 450, 451, 538, 539, 540,1426,1427,1428,
igr2=1477,1478,1477,1478,1477,1478,
&end
#
# 28 ILE QD1 97 LYS HE+ 5.50 (# 352:20 Unique 2.67, 3.95 A)
&rst
ixpk= 352, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 456, 457, 458,
igr2=1477,1478,
&end
#
# 74 TYR HD 74 TYR HB- 2.80 (# 353:20 Unique 2.34, 3.08 A)
&rst
ixpk= 353, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1102,1111,
igr2=1098,1099,
&end
#
# 74 TYR HA 74 TYR HB- 3.50 (# 354:20 Unique 2.29, 2.44 A)
&rst
ixpk= 354, nxpk= 20, iat=1096, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1098,1099,
&end
#
# 14 ILE QG2 74 TYR HB- 3.50 (# 355:20 Unique 2.61, 3.74 A)
&rst
ixpk= 355, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 199, 200, 201,
igr2=1098,1099,
&end
#
# 0 AMB 20-2:356 124 LYS HE- 4.50 (# 356:20 Single Ambig)
&rst
ixpk= 356, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1926,1927,1926,1927,
igr2=1929,1930,
&end
#
# 0 AMB 20-2:357 0 AMB 20-1:357 2.80 (# 357:20 Double Ambig)
&rst
ixpk= 357, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1102,1111, 496, 505,
igr2=1098,1099, 492, 493,
&end
#
# 74 TYR HA 74 TYR HB+ 3.50 (# 358:20 Unique 2.29, 2.44 A)
&rst
ixpk= 358, nxpk= 20, iat=1096, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1098,1099,
&end
#
# 14 ILE QG2 74 TYR HB+ 3.50 (# 359:20 Unique 2.61, 3.74 A)
&rst
ixpk= 359, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 199, 200, 201,
igr2=1098,1099,
&end
#
# 16 ILE QG2 74 TYR HB+ 4.50 (# 360:20 Unique 2.36, 4.24 A)
&rst
ixpk= 360, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 233, 234, 235,
igr2=1098,1099,
&end
#
# 0 AMB 20-2:361 0 AMB 20-1:361 3.50 (# 361:20 Double Ambig)
&rst
ixpk= 361, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
igr1= 453, 454, 456, 457, 458,
igr2= 492, 493, 492, 493,
&end
#
# 0 AMB 20-2:362 0 AMB 20-1:362 4.50 (# 362:20 Double Ambig)
&rst
ixpk= 362, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 453, 454, 924, 925,
igr2= 492, 493, 492, 493,
&end
#
# 65 LEU MDY 65 LEU HB- 2.80 (# 363:20 Unique 2.40, 3.40 A)
&rst
ixpk= 363, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 989, 990, 991, 993, 994, 995,
igr2= 984, 985,
&end
#
# 124 LYS HD- 124 LYS HE+ 2.80 (# 364:20 Unique 2.38, 2.77 A)
&rst
ixpk= 364, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1926,1927,
igr2=1929,1930,
&end
#
# 36 LEU MDY 36 LEU HB- 4.50 (# 366:20 Unique 2.39, 3.37 A)
&rst
ixpk= 366, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 570, 571, 572, 574, 575, 576,
igr2= 565, 566,
&end
#
# 36 LEU HG 36 LEU HB- 2.80 (# 367:20 Unique 2.27, 2.69 A)
&rst
ixpk= 367, nxpk= 20, iat= 568, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 565, 566,
&end
#
# 65 LEU MDX 65 LEU HB- 3.50 (# 368:20 Unique 2.40, 3.40 A)
&rst
ixpk= 368, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 989, 990, 991, 993, 994, 995,
igr2= 984, 985,
&end
#
# 66 GLU HN 65 LEU HB- 3.50 (# 369:20 Unique 2.32, 3.16 A)
&rst
ixpk= 369, nxpk= 20, iat= 999, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 984, 985,
&end
#
# 65 LEU HN 65 LEU HB- 3.50 (# 370:20 Unique 2.25, 2.50 A)
&rst
ixpk= 370, nxpk= 20, iat= 980, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 984, 985,
&end
#
# 65 LEU HA 65 LEU HB- 3.50 (# 371:20 Unique 2.42, 2.76 A)
&rst
ixpk= 371, nxpk= 20, iat= 982, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 984, 985,
&end
#
# 65 LEU MDY 65 LEU HB- 2.80 (# 373:20 Unique 2.40, 3.40 A)
&rst
ixpk= 373, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 989, 990, 991, 993, 994, 995,
igr2= 984, 985,
&end
#
# 65 LEU HN 65 LEU HB+ 3.50 (# 374:20 Unique 2.25, 2.50 A)
&rst
ixpk= 374, nxpk= 20, iat= 980, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 984, 985,
&end
#
# 65 LEU HA 65 LEU HB+ 3.50 (# 375:20 Unique 2.42, 2.76 A)
&rst
ixpk= 375, nxpk= 20, iat= 982, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 984, 985,
&end
#
# 33 VAL MGX 65 LEU HB+ 4.50 (# 377:20 Unique 2.23, 4.46 A)
&rst
ixpk= 377, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 515, 516, 517, 519, 520, 521,
igr2= 984, 985,
&end
#
# 65 LEU MDX 65 LEU HB+ 3.50 (# 378:20 Unique 2.40, 3.40 A)
&rst
ixpk= 378, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 989, 990, 991, 993, 994, 995,
igr2= 984, 985,
&end
#
# 36 LEU MDY 36 LEU HB+ 3.50 (# 379:20 Unique 2.39, 3.37 A)
&rst
ixpk= 379, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 570, 571, 572, 574, 575, 576,
igr2= 565, 566,
&end
#
# 36 LEU MDX 36 LEU HB+ 3.50 (# 380:20 Unique 2.39, 3.37 A)
&rst
ixpk= 380, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 570, 571, 572, 574, 575, 576,
igr2= 565, 566,
&end
#
# 80 LEU HN 80 LEU HB+ 4.50 (# 382:20 Unique 2.56, 3.15 A)
&rst
ixpk= 382, nxpk= 20, iat=1194, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1198,1199,
&end
#
# 80 LEU HA 80 LEU HB+ 3.50 (# 383:20 Unique 2.34, 2.71 A)
&rst
ixpk= 383, nxpk= 20, iat=1196, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1198,1199,
&end
#
# 0 AMB 20-2:384 0 AMB 20-1:384 3.50 (# 384:20 Double Ambig)
&rst
ixpk= 384, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1267,1272, 430, 439,
igr2=1198,1199, 984, 985,
&end
#
# 80 LEU HG 80 LEU HB+ 3.50 (# 385:20 Unique 2.39, 2.75 A)
&rst
ixpk= 385, nxpk= 20, iat=1201, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1198,1199,
&end
#
# 0 AMB 20-2:386 0 AMB 20-1:386 2.80 (# 386:20 Double Ambig)
&rst
ixpk= 386, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1=1203,1204,1205,1207,1208,1209,1203,1204,1205,1207,
1208,1209,
igr2=1198,1199,1198,1199,
&end
#
# 80 LEU HA 80 LEU HB- 3.50 (# 387:20 Unique 2.34, 2.71 A)
&rst
ixpk= 387, nxpk= 20, iat=1196, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1198,1199,
&end
#
# 0 AMB 20-2:388 80 LEU HB- 2.80 (# 388:20 Single Ambig)
&rst
ixpk= 388, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1203,1204,1205,1207,1208,1209,1203,1204,1205,1207,
1208,1209,
igr2=1198,1199,
&end
#
# 80 LEU HG 80 LEU HB- 3.50 (# 389:20 Unique 2.39, 2.75 A)
&rst
ixpk= 389, nxpk= 20, iat=1201, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1198,1199,
&end
#
# 84 TYR HE 84 TYR HB- 4.50 (# 390:20 Unique 4.63, 5.11 A)
&rst
ixpk= 390, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1267,1272,
igr2=1261,1262,
&end
#
# 84 TYR HA 84 TYR HB- 2.80 (# 391:20 Unique 2.34, 2.70 A)
&rst
ixpk= 391, nxpk= 20, iat=1259, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1261,1262,
&end
#
# 85 GLN HN 84 TYR HB- 2.80 (# 393:20 Unique 2.30, 2.95 A)
&rst
ixpk= 393, nxpk= 20, iat=1278, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1261,1262,
&end
#
# 84 TYR HN 84 TYR HB+ 2.80 (# 394:20 Unique 2.70, 3.30 A)
&rst
ixpk= 394, nxpk= 20, iat=1257, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1261,1262,
&end
#
# 84 TYR HE 84 TYR HB+ 4.50 (# 395:20 Unique 4.63, 5.11 A)
&rst
ixpk= 395, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1267,1272,
igr2=1261,1262,
&end
#
# 84 TYR HA 84 TYR HB+ 3.50 (# 396:20 Unique 2.34, 2.70 A)
&rst
ixpk= 396, nxpk= 20, iat=1259, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1261,1262,
&end
#
# 13 LEU MDY 13 LEU HB+ 3.50 (# 398:20 Unique 2.41, 3.36 A)
&rst
ixpk= 398, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 183, 184, 185, 187, 188, 189,
igr2= 178, 179,
&end
#
# 13 LEU MDX 13 LEU HB+ 3.50 (# 400:20 Unique 2.41, 3.36 A)
&rst
ixpk= 400, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 183, 184, 185, 187, 188, 189,
igr2= 178, 179,
&end
#
# 34 ILE HN 34 ILE HB 2.80 (# 401:20 Unique 2.46, 2.51 A)
&rst
ixpk= 401, nxpk= 20, iat= 525, 529, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 34 ILE HG1+ 34 ILE HB 3.50 (# 402:20 Unique 2.31, 2.75 A)
&rst
ixpk= 402, nxpk= 20, iat= -1, 529, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 535, 536,
&end
#
# 34 ILE HG1- 34 ILE HB 3.50 (# 403:20 Unique 2.31, 2.75 A)
&rst
ixpk= 403, nxpk= 20, iat= -1, 529, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 535, 536,
&end
#
# 34 ILE QG2 34 ILE HB 2.80 (# 404:20 Unique 2.44, 2.70 A)
&rst
ixpk= 404, nxpk= 20, iat= -1, 529, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 531, 532, 533,
&end
#
# 28 ILE QG2 34 ILE HB 2.80 (# 405:20 Unique 3.05, 3.56 A)
&rst
ixpk= 405, nxpk= 20, iat= -1, 529, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 449, 450, 451,
&end
#
# 68 VAL HN 67 ASP HB+ 3.50 (# 406:20 Unique 2.47, 3.23 A)
&rst
ixpk= 406, nxpk= 20, iat=1026, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1018,1019,
&end
#
# 68 VAL HN 67 ASP HB- 3.50 (# 407:20 Unique 2.47, 3.23 A)
&rst
ixpk= 407, nxpk= 20, iat=1026, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1018,1019,
&end
#
# 81 ASP HN 81 ASP HB+ 3.50 (# 409:20 Unique 2.22, 2.51 A)
&rst
ixpk= 409, nxpk= 20, iat=1213, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1217,1218,
&end
#
# 30 ASP HA 30 ASP HB- 2.80 (# 411:20 Unique 2.36, 2.76 A)
&rst
ixpk= 411, nxpk= 20, iat= 471, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 473, 474,
&end
#
# 19 LEU HN 19 LEU HB- 4.50 (# 412:20 Unique 2.30, 2.76 A)
&rst
ixpk= 412, nxpk= 20, iat= 290, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 294, 295,
&end
#
# 0 AMB 20-2:413 19 LEU HB- 2.80 (# 413:20 Single Ambig)
&rst
ixpk= 413, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 299, 300, 301, 303, 304, 305, 299, 300, 301, 303,
304, 305,
igr2= 294, 295,
&end
#
# 16 ILE HN 16 ILE HB 3.50 (# 415:20 Unique 2.52, 2.64 A)
&rst
ixpk= 415, nxpk= 20, iat= 227, 231, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:417 0 AMB 20-1:417 2.80 (# 417:20 Double Ambig)
&rst
ixpk= 417, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1= 299, 300, 301, 303, 304, 305, 299, 300, 301, 303,
304, 305,
igr2= 294, 295, 294, 295,
&end
#
# 16 ILE QG2 16 ILE HB 2.80 (# 418:20 Unique 2.42, 2.68 A)
&rst
ixpk= 418, nxpk= 20, iat= -1, 231, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 233, 234, 235,
&end
#
# 16 ILE QD1 16 ILE HB 2.80 (# 419:20 Unique 2.44, 3.16 A)
&rst
ixpk= 419, nxpk= 20, iat= -1, 231, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 240, 241, 242,
&end
#
# 16 ILE HG1+ 16 ILE HB 3.50 (# 420:20 Unique 2.45, 2.78 A)
&rst
ixpk= 420, nxpk= 20, iat= -1, 231, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 237, 238,
&end
#
# 30 ASP HA 30 ASP HB+ 2.80 (# 423:20 Unique 2.36, 2.76 A)
&rst
ixpk= 423, nxpk= 20, iat= 471, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 473, 474,
&end
#
# 0 AMB 20-2:424 0 AMB 20-1:424 3.50 (# 424:20 Double Ambig)
&rst
ixpk= 424, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 496, 505, 469,
igr2= 473, 474, 473, 474,
&end
#
# 81 ASP HN 81 ASP HB- 3.50 (# 425:20 Unique 2.22, 2.51 A)
&rst
ixpk= 425, nxpk= 20, iat=1213, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1217,1218,
&end
#
# 122 TYR HA 122 TYR HB+ 4.50 (# 427:20 Unique 2.28, 2.72 A)
&rst
ixpk= 427, nxpk= 20, iat=1890, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1892,1893,
&end
#
# 116 PHE HN 116 PHE HB- 3.50 (# 428:20 Unique 2.20, 2.52 A)
&rst
ixpk= 428, nxpk= 20, iat=1778, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1782,1783,
&end
#
# 116 PHE HA 116 PHE HB- 2.80 (# 429:20 Unique 2.31, 2.69 A)
&rst
ixpk= 429, nxpk= 20, iat=1780, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1782,1783,
&end
#
# 116 PHE HD 116 PHE HB- 2.80 (# 431:20 Unique 2.33, 3.09 A)
&rst
ixpk= 431, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1786,1794,
igr2=1782,1783,
&end
#
# 36 LEU HN 116 PHE HB+ 5.50 (# 432:20 Unique 4.43, 5.42 A)
&rst
ixpk= 432, nxpk= 20, iat= 561, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1782,1783,
&end
#
# 114 GLU HN 116 PHE HB+ 5.50 (# 433:20 Unique 4.56, 5.50 A)
&rst
ixpk= 433, nxpk= 20, iat=1746, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1782,1783,
&end
#
# 116 PHE HD 116 PHE HB+ 3.50 (# 434:20 Unique 2.33, 3.09 A)
&rst
ixpk= 434, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1786,1794,
igr2=1782,1783,
&end
#
# 0 AMB 20-2:437 63 GLU HG- 4.50 (# 437:20 Single Ambig)
&rst
ixpk= 437, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 899, 900, 960, 961,
igr2= 948, 949,
&end
#
# 51 PHE HD 51 PHE HB+ 3.50 (# 439:20 Unique 2.32, 3.09 A)
&rst
ixpk= 439, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 760, 768,
igr2= 756, 757,
&end
#
# 56 ASN HA 56 ASN HB- 2.80 (# 443:20 Unique 2.33, 2.71 A)
&rst
ixpk= 443, nxpk= 20, iat= 831, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 833, 834,
&end
#
# 57 SER HA 56 ASN HB- 4.50 (# 444:20 Unique 4.23, 4.98 A)
&rst
ixpk= 444, nxpk= 20, iat= 845, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 833, 834,
&end
#
# 63 GLU HA 63 GLU HG+ 2.80 (# 445:20 Unique 2.32, 3.10 A)
&rst
ixpk= 445, nxpk= 20, iat= 943, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 948, 949,
&end
#
# 63 GLU HB+ 63 GLU HG+ 2.80 (# 447:20 Unique 2.31, 2.64 A)
&rst
ixpk= 447, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 945, 946,
igr2= 948, 949,
&end
#
# 0 AMB 20-2:448 0 AMB 20-1:448 4.50 (# 448:20 Double Ambig)
&rst
ixpk= 448, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 899, 900, 960, 961,
igr2= 948, 949, 948, 949,
&end
#
# 61 LYS HB+ 63 GLU HG+ 4.50 (# 449:20 Unique 2.76, 5.34 A)
&rst
ixpk= 449, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 899, 900,
igr2= 948, 949,
&end
#
# 0 AMB 20-2:450 0 AMB 20-1:450 4.50 (# 450:20 Double Ambig)
&rst
ixpk= 450, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
1037,1038,
igr2= 948, 949, 948, 949,
&end
#
# 63 GLU HA 63 GLU HG- 3.50 (# 451:20 Unique 2.32, 3.10 A)
&rst
ixpk= 451, nxpk= 20, iat= 943, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 948, 949,
&end
#
# 63 GLU HB+ 63 GLU HG- 2.80 (# 453:20 Unique 2.31, 2.64 A)
&rst
ixpk= 453, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 945, 946,
igr2= 948, 949,
&end
#
# 61 LYS HB+ 63 GLU HG- 4.50 (# 454:20 Unique 2.76, 5.34 A)
&rst
ixpk= 454, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 899, 900,
igr2= 948, 949,
&end
#
# 0 AMB 20-2:455 63 GLU HG- 4.50 (# 455:20 Single Ambig)
&rst
ixpk= 455, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
1037,1038,
igr2= 948, 949,
&end
#
# 14 ILE HG1- 14 ILE HB 3.50 (# 456:20 Unique 2.41, 2.71 A)
&rst
ixpk= 456, nxpk= 20, iat= -1, 197, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 203, 204,
&end
#
# 14 ILE HG1+ 14 ILE HB 2.80 (# 457:20 Unique 2.41, 2.71 A)
&rst
ixpk= 457, nxpk= 20, iat= -1, 197, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 203, 204,
&end
#
# 25 ALA MB 14 ILE HB 3.50 (# 458:20 Unique 2.28, 3.52 A)
&rst
ixpk= 458, nxpk= 20, iat= -1, 197, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 397, 398, 399,
&end
#
# 0 AMB 20-2:459 14 ILE HB 2.80 (# 459:20 Single Ambig)
&rst
ixpk= 459, nxpk= 20, iat= -1, 197, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 199, 200, 201, 206, 207, 208,
&end
#
# 14 ILE HN 14 ILE HB 3.50 (# 460:20 Unique 2.59, 2.65 A)
&rst
ixpk= 460, nxpk= 20, iat= 193, 197, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 22 GLU HB+ 22 GLU HG+ 4.50 (# 461:20 Unique 2.24, 2.63 A)
&rst
ixpk= 461, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 341, 342,
igr2= 344, 345,
&end
#
# 28 ILE HA 28 ILE HB 2.80 (# 462:20 Unique 2.35, 2.39 A)
&rst
ixpk= 462, nxpk= 20, iat= 445, 447, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 20-2:463 28 ILE HB 3.50 (# 463:20 Single Ambig)
&rst
ixpk= 463, nxpk= 20, iat= -1, 447, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 453, 454,1423,1424,
&end
#
# 93 ILE QG2 28 ILE HB 2.80 (# 464:20 Unique 2.70, 3.73 A)
&rst
ixpk= 464, nxpk= 20, iat= -1, 447, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1419,1420,1421,
&end
#
# 28 ILE QG2 28 ILE HB 2.80 (# 465:20 Preassigned 2.37, 2.66 A)
&rst
ixpk= 465, nxpk= 20, iat= -1, 447, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 449, 450, 451,
&end
#
# 28 ILE QD1 28 ILE HB 2.80 (# 466:20 Unique 2.44, 3.10 A)
&rst
ixpk= 466, nxpk= 20, iat= -1, 447, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 456, 457, 458,
&end
#
# 21 TYR HD 21 TYR HB- 2.80 (# 467:20 Unique 2.33, 3.08 A)
&rst
ixpk= 467, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 324, 333,
igr2= 320, 321,
&end
#
# 21 TYR HA 21 TYR HB- 2.80 (# 468:20 Unique 2.36, 2.72 A)
&rst
ixpk= 468, nxpk= 20, iat= 318, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 320, 321,
&end
#
# 77 ASN HD2- 77 ASN HB- 4.50 (# 470:20 Unique 2.41, 3.14 A)
&rst
ixpk= 470, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1164,1165,
igr2=1159,1160,
&end
#
# 27 TYR HD 27 TYR HB+ 3.50 (# 472:20 Unique 2.33, 3.07 A)
&rst
ixpk= 472, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 430, 439,
igr2= 426, 427,
&end
#
# 27 TYR HN 27 TYR HB+ 3.50 (# 474:20 Unique 2.39, 2.53 A)
&rst
ixpk= 474, nxpk= 20, iat= 422, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 426, 427,
&end
#
# 0 AMB 20-2:475 0 AMB 20-1:475 4.50 (# 475:20 Double Ambig)
&rst
ixpk= 475, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 337, 644,
igr2= 320, 321, 648, 649,
&end
#
# 42 TYR HD 42 TYR HB+ 2.80 (# 476:20 Unique 2.34, 3.08 A)
&rst
ixpk= 476, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 652, 661,
igr2= 648, 649,
&end
#
# 106 TYR HA 106 TYR HB- 3.50 (# 479:20 Unique 2.30, 2.56 A)
&rst
ixpk= 479, nxpk= 20, iat=1621, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1623,1624,
&end
#
# 108 ILE QG2 106 TYR HB- 4.50 (# 480:20 Unique 2.29, 5.68 A)
&rst
ixpk= 480, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1657,1658,1659,
igr2=1623,1624,
&end
#
# 27 TYR HN 27 TYR HB- 3.50 (# 481:20 Unique 2.39, 2.53 A)
&rst
ixpk= 481, nxpk= 20, iat= 422, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 426, 427,
&end
#
# 27 TYR HD 27 TYR HB- 3.50 (# 483:20 Unique 2.33, 3.07 A)
&rst
ixpk= 483, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 430, 439,
igr2= 426, 427,
&end
#
# 27 TYR HA 27 TYR HB- 3.50 (# 484:20 Unique 2.43, 2.75 A)
&rst
ixpk= 484, nxpk= 20, iat= 424, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 426, 427,
&end
#
# 14 ILE QD1 27 TYR HB- 3.50 (# 485:20 Unique 2.19, 3.69 A)
&rst
ixpk= 485, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 206, 207, 208,
igr2= 426, 427,
&end
#
# 0 AMB 20-2:486 27 TYR HB- 4.50 (# 486:20 Single Ambig)
&rst
ixpk= 486, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 515, 516, 517, 519, 520, 521, 112, 113,
igr2= 426, 427,
&end
#
# 77 ASN HD2- 77 ASN HB+ 4.50 (# 488:20 Unique 2.41, 3.14 A)
&rst
ixpk= 488, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1164,1165,
igr2=1159,1160,
&end
#
# 77 ASN HA 77 ASN HB+ 3.50 (# 489:20 Unique 2.46, 2.76 A)
&rst
ixpk= 489, nxpk= 20, iat=1157, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1159,1160,
&end
#
# 93 ILE HN 92 ILE HB 2.80 (# 491:20 Unique 2.38, 2.47 A)
&rst
ixpk= 491, nxpk= 20, iat=1413,1398, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 89 VAL HA 92 ILE HB 3.50 (# 493:20 Unique 2.63, 2.80 A)
&rst
ixpk= 493, nxpk= 20, iat=1349,1398, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:494 92 ILE HB 4.50 (# 494:20 Single Ambig)
&rst
ixpk= 494, nxpk= 20, iat= -1,1398, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1404,1405,1423,1424,
&end
#
# 92 ILE QD1 92 ILE HB 2.80 (# 495:20 Unique 2.38, 3.11 A)
&rst
ixpk= 495, nxpk= 20, iat= -1,1398, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1407,1408,1409,
&end
#
# 92 ILE QG2 92 ILE HB 2.80 (# 496:20 Unique 2.42, 2.68 A)
&rst
ixpk= 496, nxpk= 20, iat= -1,1398, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1400,1401,1402,
&end
#
# 42 TYR HD 42 TYR HB- 2.80 (# 498:20 Unique 2.34, 3.08 A)
&rst
ixpk= 498, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 652, 661,
igr2= 648, 649,
&end
#
# 42 TYR HA 42 TYR HB- 2.80 (# 499:20 Unique 2.31, 2.70 A)
&rst
ixpk= 499, nxpk= 20, iat= 646, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 648, 649,
&end
#
# 43 PRO HD- 42 TYR HB- 4.50 (# 500:20 Unique 2.19, 3.94 A)
&rst
ixpk= 500, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 666, 667,
igr2= 648, 649,
&end
#
# 61 LYS HA 61 LYS HB- 3.50 (# 501:20 Unique 2.46, 2.80 A)
&rst
ixpk= 501, nxpk= 20, iat= 897, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 899, 900,
&end
#
# 0 AMB 20-2:503 61 LYS HB- 4.50 (# 503:20 Single Ambig)
&rst
ixpk= 503, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 948, 949, 945, 946,
igr2= 899, 900,
&end
#
# 61 LYS HG- 61 LYS HB- 3.50 (# 504:20 Unique 2.38, 2.77 A)
&rst
ixpk= 504, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 902, 903,
igr2= 899, 900,
&end
#
# 61 LYS HA 61 LYS HB+ 3.50 (# 505:20 Unique 2.46, 2.80 A)
&rst
ixpk= 505, nxpk= 20, iat= 897, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 899, 900,
&end
#
# 37 ALA MB 61 LYS HB+ 4.50 (# 507:20 Unique 2.61, 4.68 A)
&rst
ixpk= 507, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 584, 585, 586,
igr2= 899, 900,
&end
#
# 61 LYS HG- 61 LYS HB+ 3.50 (# 508:20 Unique 2.38, 2.77 A)
&rst
ixpk= 508, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 902, 903,
igr2= 899, 900,
&end
#
# 17 PHE HD 17 PHE HB- 3.50 (# 509:20 Unique 2.35, 3.09 A)
&rst
ixpk= 509, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 254, 262,
igr2= 250, 251,
&end
#
# 17 PHE HN 17 PHE HB- 4.50 (# 511:20 Unique 2.38, 3.09 A)
&rst
ixpk= 511, nxpk= 20, iat= 246, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 250, 251,
&end
#
# 17 PHE HA 17 PHE HB- 3.50 (# 512:20 Unique 2.37, 2.73 A)
&rst
ixpk= 512, nxpk= 20, iat= 248, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 250, 251,
&end
#
# 17 PHE HN 17 PHE HB+ 4.50 (# 513:20 Unique 2.38, 3.09 A)
&rst
ixpk= 513, nxpk= 20, iat= 246, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 250, 251,
&end
#
# 63 GLU HA 63 GLU HB- 2.80 (# 515:20 Unique 2.49, 2.83 A)
&rst
ixpk= 515, nxpk= 20, iat= 943, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 945, 946,
&end
#
# 63 GLU HG+ 63 GLU HB- 2.80 (# 516:20 Unique 2.31, 2.64 A)
&rst
ixpk= 516, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 948, 949,
igr2= 945, 946,
&end
#
# 93 ILE HN 93 ILE HB 2.80 (# 517:20 Unique 2.08, 2.17 A)
&rst
ixpk= 517, nxpk= 20, iat=1413,1417, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 90 GLU HA 93 ILE HB 3.50 (# 518:20 Unique 2.58, 2.68 A)
&rst
ixpk= 518, nxpk= 20, iat=1365,1417, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 93 ILE QD1 93 ILE HB 2.80 (# 519:20 Preassigned 2.48, 3.23 A)
&rst
ixpk= 519, nxpk= 20, iat= -1,1417, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1426,1427,1428,
&end
#
# 94 SER HN 93 ILE HB 3.50 (# 520:20 Unique 2.56, 2.76 A)
&rst
ixpk= 520, nxpk= 20, iat=1432,1417, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 93 ILE HA 93 ILE HB 3.50 (# 521:20 Unique 3.01, 3.03 A)
&rst
ixpk= 521, nxpk= 20, iat=1415,1417, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 93 ILE HG1- 93 ILE HB 3.50 (# 522:20 Unique 2.09, 2.73 A)
&rst
ixpk= 522, nxpk= 20, iat= -1,1417, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1423,1424,
&end
#
# 93 ILE QG2 93 ILE HB 2.80 (# 523:20 Preassigned 2.39, 2.64 A)
&rst
ixpk= 523, nxpk= 20, iat= -1,1417, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1419,1420,1421,
&end
#
# 63 GLU HG+ 63 GLU HB+ 2.80 (# 524:20 Unique 2.31, 2.64 A)
&rst
ixpk= 524, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 948, 949,
igr2= 945, 946,
&end
#
# 78 ASN HD2+ 78 ASN HB- 2.80 (# 525:20 Unique 2.26, 3.15 A)
&rst
ixpk= 525, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1178,1179,
igr2=1173,1174,
&end
#
# 78 ASN HA 78 ASN HB- 3.50 (# 526:20 Unique 2.49, 2.78 A)
&rst
ixpk= 526, nxpk= 20, iat=1171, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1173,1174,
&end
#
# 78 ASN HD2+ 78 ASN HB+ 2.80 (# 528:20 Unique 2.26, 3.15 A)
&rst
ixpk= 528, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1178,1179,
igr2=1173,1174,
&end
#
# 78 ASN HN 78 ASN HB+ 3.50 (# 529:20 Unique 2.35, 3.01 A)
&rst
ixpk= 529, nxpk= 20, iat=1169, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1173,1174,
&end
#
# 64 ARG HN 63 GLU HB- 3.50 (# 531:20 Unique 2.21, 3.22 A)
&rst
ixpk= 531, nxpk= 20, iat= 956, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 945, 946,
&end
#
# 0 AMB 20-2:533 63 GLU HB- 3.50 (# 533:20 Single Ambig)
&rst
ixpk= 533, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
1037,1038, 515, 516, 517, 519, 520, 521,
igr2= 945, 946,
&end
#
# 104 MET HG- 104 MET HB- 3.50 (# 534:20 Unique 2.38, 2.68 A)
&rst
ixpk= 534, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1587,1588,
igr2=1584,1585,
&end
#
# 104 MET HG- 104 MET HB+ 4.50 (# 538:20 Unique 2.38, 2.68 A)
&rst
ixpk= 538, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1587,1588,
igr2=1584,1585,
&end
#
# 0 AMB 20-2:540 0 AMB 20-1:540 3.50 (# 540:20 Double Ambig)
&rst
ixpk= 540, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
1037,1038, 515, 516, 517, 519, 520, 521,
igr2= 945, 946, 945, 946, 945, 946,
&end
#
# 63 GLU HA 63 GLU HB+ 3.50 (# 541:20 Unique 2.49, 2.83 A)
&rst
ixpk= 541, nxpk= 20, iat= 943, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 945, 946,
&end
#
# 0 AMB 20-2:542 0 AMB 20-1:542 4.50 (# 542:20 Double Ambig)
&rst
ixpk= 542, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 899, 900, 960, 961,
igr2= 945, 946, 945, 946,
&end
#
# 64 ARG HN 63 GLU HB+ 4.50 (# 543:20 Unique 2.21, 3.22 A)
&rst
ixpk= 543, nxpk= 20, iat= 956, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 945, 946,
&end
#
# 98 GLU HN 98 GLU HG- 2.80 (# 545:20 Unique 2.57, 3.19 A)
&rst
ixpk= 545, nxpk= 20, iat=1486, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1493,1494,
&end
#
# 98 GLU HA 98 GLU HG- 2.80 (# 546:20 Unique 2.35, 3.03 A)
&rst
ixpk= 546, nxpk= 20, iat=1488, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1493,1494,
&end
#
# 98 GLU HN 98 GLU HG+ 3.50 (# 547:20 Unique 2.57, 3.19 A)
&rst
ixpk= 547, nxpk= 20, iat=1486, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1493,1494,
&end
#
# 98 GLU HA 98 GLU HG+ 2.80 (# 548:20 Unique 2.35, 3.03 A)
&rst
ixpk= 548, nxpk= 20, iat=1488, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1493,1494,
&end
#
# 90 GLU HN 90 GLU HG+ 2.80 (# 549:20 Unique 2.23, 2.94 A)
&rst
ixpk= 549, nxpk= 20, iat=1363, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1370,1371,
&end
#
# 91 VAL HN 90 GLU HG+ 4.50 (# 550:20 Unique 2.18, 2.73 A)
&rst
ixpk= 550, nxpk= 20, iat=1378, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1370,1371,
&end
#
# 90 GLU HA 90 GLU HG+ 3.50 (# 551:20 Unique 3.74, 3.86 A)
&rst
ixpk= 551, nxpk= 20, iat=1365, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1370,1371,
&end
#
# 91 VAL MGX 90 GLU HG+ 3.50 (# 552:20 Unique 2.36, 5.00 A)
&rst
ixpk= 552, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1384,1385,1386,1388,1389,1390,
igr2=1370,1371,
&end
#
# 91 VAL MGY 90 GLU HG+ 4.50 (# 553:20 Unique 2.36, 5.00 A)
&rst
ixpk= 553, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1384,1385,1386,1388,1389,1390,
igr2=1370,1371,
&end
#
# 66 GLU HN 66 GLU HG+ 2.80 (# 554:20 Unique 1.78, 2.31 A)
&rst
ixpk= 554, nxpk= 20, iat= 999, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1006,1007,
&end
#
# 66 GLU HA 66 GLU HG+ 2.80 (# 555:20 Unique 2.64, 3.08 A)
&rst
ixpk= 555, nxpk= 20, iat=1001, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1006,1007,
&end
#
# 41 GLU HA 41 GLU HG+ 3.50 (# 556:20 Unique 2.37, 2.93 A)
&rst
ixpk= 556, nxpk= 20, iat= 631, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 636, 637,
&end
#
# 0 AMB 20-2:557 0 AMB 20-1:557 3.50 (# 557:20 Double Ambig)
&rst
ixpk= 557, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1565,1566, 905, 906,
igr2= 871, 872, 871, 872,
&end
#
# 60 VAL HN 59 GLU HG+ 3.50 (# 558:20 Unique 2.44, 2.89 A)
&rst
ixpk= 558, nxpk= 20, iat= 879, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 871, 872,
&end
#
# 59 GLU HA 59 GLU HG+ 2.80 (# 559:20 Unique 2.35, 2.72 A)
&rst
ixpk= 559, nxpk= 20, iat= 866, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 871, 872,
&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= 4.44, r4= 5.19,
igr1= 868, 869, 868, 869,
igr2= 871, 872, 871, 872,
&end
#
# 7 GLU HB+ 7 GLU HG- 2.80 (# 562:20 Unique 2.43, 2.77 A)
&rst
ixpk= 562, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 94, 95,
igr2= 97, 98,
&end
#
# 7 GLU HA 7 GLU HG- 3.50 (# 563:20 Unique 2.29, 2.89 A)
&rst
ixpk= 563, nxpk= 20, iat= 92, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 97, 98,
&end
#
# 8 PRO HD+ 7 GLU HG- 5.50 (# 564:20 Unique 2.33, 3.98 A)
&rst
ixpk= 564, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 106, 107,
igr2= 97, 98,
&end
#
# 7 GLU HA 7 GLU HG+ 3.50 (# 565:20 Unique 2.29, 2.89 A)
&rst
ixpk= 565, nxpk= 20, iat= 92, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 97, 98,
&end
#
# 8 PRO HD+ 7 GLU HG+ 4.50 (# 566:20 Unique 2.33, 3.98 A)
&rst
ixpk= 566, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 106, 107,
igr2= 97, 98,
&end
#
# 7 GLU HB+ 7 GLU HG+ 2.80 (# 567:20 Unique 2.43, 2.77 A)
&rst
ixpk= 567, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 94, 95,
igr2= 97, 98,
&end
#
# 83 GLU HA 83 GLU HG+ 3.50 (# 568:20 Unique 2.87, 3.45 A)
&rst
ixpk= 568, nxpk= 20, iat=1244, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1249,1250,
&end
#
# 0 AMB 20-2:569 0 AMB 20-1:569 4.50 (# 569:20 Double Ambig)
&rst
ixpk= 569, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1=1203,1204,1205,1207,1208,1209,1203,1204,1205,1207,
1208,1209,
igr2=1249,1250,1249,1250,
&end
#
# 83 GLU HB+ 83 GLU HG+ 2.80 (# 570:20 Unique 2.32, 2.60 A)
&rst
ixpk= 570, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1246,1247,
igr2=1249,1250,
&end
#
# 33 VAL HA 33 VAL HB 2.80 (# 571:20 Unique 2.45, 2.52 A)
&rst
ixpk= 571, nxpk= 20, iat= 511, 513, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 35 HIS HA 35 HIS HB+ 3.50 (# 572:20 Unique 2.38, 2.48 A)
&rst
ixpk= 572, nxpk= 20, iat= 546, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 548, 549,
&end
#
# 25 ALA MB 35 HIS HB+ 3.50 (# 573:20 Unique 2.38, 3.65 A)
&rst
ixpk= 573, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 397, 398, 399,
igr2= 548, 549,
&end
#
# 35 HIS HA 35 HIS HB- 4.50 (# 574:20 Unique 2.38, 2.48 A)
&rst
ixpk= 574, nxpk= 20, iat= 546, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 548, 549,
&end
#
# 25 ALA MB 35 HIS HB- 4.50 (# 575:20 Unique 2.38, 3.65 A)
&rst
ixpk= 575, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 397, 398, 399,
igr2= 548, 549,
&end
#
# 34 ILE HN 33 VAL HB 2.80 (# 576:20 Unique 2.38, 2.55 A)
&rst
ixpk= 576, nxpk= 20, iat= 525, 513, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 25 ALA MB 33 VAL HB 2.80 (# 577:20 Unique 2.09, 3.07 A)
&rst
ixpk= 577, nxpk= 20, iat= -1, 513, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 397, 398, 399,
&end
#
# 33 VAL MGX 33 VAL HB 2.80 (# 578:20 Unique 2.37, 2.64 A)
&rst
ixpk= 578, nxpk= 20, iat= -1, 513, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 515, 516, 517, 519, 520, 521,
&end
#
# 33 VAL MGY 33 VAL HB 2.80 (# 579:20 Unique 2.37, 2.64 A)
&rst
ixpk= 579, nxpk= 20, iat= -1, 513, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 515, 516, 517, 519, 520, 521,
&end
#
# 23 HIS HA 23 HIS HB- 4.50 (# 580:20 Unique 2.43, 2.79 A)
&rst
ixpk= 580, nxpk= 20, iat= 354, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 356, 357,
&end
#
# 102 GLN HN 102 GLN HG- 3.50 (# 581:20 Unique 2.43, 3.01 A)
&rst
ixpk= 581, nxpk= 20, iat=1541, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1548,1549,
&end
#
# 0 AMB 20-2:582 102 GLN HG- 3.50 (# 582:20 Single Ambig)
&rst
ixpk= 582, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1503,1536,1537,
igr2=1548,1549,
&end
#
# 102 GLN HA 102 GLN HG- 3.50 (# 583:20 Unique 2.47, 2.84 A)
&rst
ixpk= 583, nxpk= 20, iat=1543, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1548,1549,
&end
#
# 102 GLN HB- 102 GLN HG- 2.80 (# 584:20 Unique 2.46, 2.78 A)
&rst
ixpk= 584, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1545,1546,
igr2=1548,1549,
&end
#
# 102 GLN HN 102 GLN HG+ 2.80 (# 585:20 Unique 2.43, 3.01 A)
&rst
ixpk= 585, nxpk= 20, iat=1541, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1548,1549,
&end
#
# 102 GLN HE2+ 102 GLN HG+ 4.50 (# 586:20 Unique 2.26, 3.25 A)
&rst
ixpk= 586, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1553,1554,
igr2=1548,1549,
&end
#
# 0 AMB 20-2:587 0 AMB 20-1:587 3.50 (# 587:20 Double Ambig)
&rst
ixpk= 587, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1503,1536,1537,
igr2=1548,1549,1548,1549,
&end
#
# 102 GLN HA 102 GLN HG+ 2.80 (# 588:20 Unique 2.47, 2.84 A)
&rst
ixpk= 588, nxpk= 20, iat=1543, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1548,1549,
&end
#
# 102 GLN HB- 102 GLN HG+ 2.80 (# 589:20 Unique 2.46, 2.78 A)
&rst
ixpk= 589, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1545,1546,
igr2=1548,1549,
&end
#
# 119 GLN HB- 119 GLN HG- 2.80 (# 592:20 Unique 2.34, 2.69 A)
&rst
ixpk= 592, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1832,1833,
igr2=1835,1836,
&end
#
# 119 GLN HA 119 GLN HG- 3.50 (# 593:20 Unique 2.39, 3.01 A)
&rst
ixpk= 593, nxpk= 20, iat=1830, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1835,1836,
&end
#
# 119 GLN HB+ 119 GLN HG- 2.80 (# 594:20 Unique 2.34, 2.69 A)
&rst
ixpk= 594, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1832,1833,
igr2=1835,1836,
&end
#
# 119 GLN HN 119 GLN HG- 3.50 (# 595:20 Unique 2.06, 3.07 A)
&rst
ixpk= 595, nxpk= 20, iat=1828, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1835,1836,
&end
#
# 119 GLN HN 119 GLN HG+ 4.50 (# 596:20 Unique 2.06, 3.07 A)
&rst
ixpk= 596, nxpk= 20, iat=1828, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1835,1836,
&end
#
# 119 GLN HA 119 GLN HG+ 3.50 (# 597:20 Unique 2.39, 3.01 A)
&rst
ixpk= 597, nxpk= 20, iat=1830, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1835,1836,
&end
#
# 59 GLU HN 59 GLU HB+ 4.50 (# 598:20 Unique 2.42, 2.95 A)
&rst
ixpk= 598, nxpk= 20, iat= 864, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 868, 869,
&end
#
# 59 GLU HA 59 GLU HB+ 2.80 (# 599:20 Unique 2.41, 2.79 A)
&rst
ixpk= 599, nxpk= 20, iat= 866, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 868, 869,
&end
#
# 61 LYS HE+ 59 GLU HB+ 4.50 (# 600:20 Unique 2.06, 3.98 A)
&rst
ixpk= 600, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 908, 909,
igr2= 868, 869,
&end
#
# 104 MET HN 103 LYS HB- 2.80 (# 601:20 Preassigned 2.41, 3.28 A)
&rst
ixpk= 601, nxpk= 20, iat=1580, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1562,1563,
&end
#
# 103 LYS HN 103 LYS HB- 2.80 (# 602:20 Unique 2.35, 3.08 A)
&rst
ixpk= 602, nxpk= 20, iat=1558, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1562,1563,
&end
#
# 103 LYS HA 0 AMB 20-1:603 2.80 (# 603:20 Single Ambig)
&rst
ixpk= 603, nxpk= 20, iat=1560, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2=1562,1563, 868, 869,
&end
#
# 0 AMB 20-2:604 0 AMB 20-1:604 4.50 (# 604:20 Double Ambig)
&rst
ixpk= 604, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1571,1572,1571,1572,
igr2=1562,1563, 868, 869,
&end
#
# 0 AMB 20-2:605 0 AMB 20-1:605 2.80 (# 605:20 Double Ambig)
&rst
ixpk= 605, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1565,1566,1565,1566,1565,1566,
igr2=1562,1563, 868, 869, 868, 869,
&end
#
# 59 GLU HN 59 GLU HB- 4.50 (# 606:20 Unique 2.42, 2.95 A)
&rst
ixpk= 606, nxpk= 20, iat= 864, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 868, 869,
&end
#
# 124 LYS HG+ 124 LYS HB- 3.50 (# 607:20 Unique 2.28, 2.62 A)
&rst
ixpk= 607, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1923,1924,
igr2=1920,1921,
&end
#
# 124 LYS HA 124 LYS HB- 2.80 (# 608:20 Unique 2.29, 2.44 A)
&rst
ixpk= 608, nxpk= 20, iat=1918, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1920,1921,
&end
#
# 124 LYS HG- 124 LYS HB- 5.50 (# 609:20 Unique 2.28, 2.62 A)
&rst
ixpk= 609, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1923,1924,
igr2=1920,1921,
&end
#
# 124 LYS HG+ 124 LYS HB+ 4.50 (# 611:20 Unique 2.28, 2.62 A)
&rst
ixpk= 611, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1923,1924,
igr2=1920,1921,
&end
#
# 125 SER HN 124 LYS HB+ 4.50 (# 612:20 Unique 1.87, 3.29 A)
&rst
ixpk= 612, nxpk= 20, iat=1938, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1920,1921,
&end
#
# 124 LYS HA 124 LYS HB+ 3.50 (# 613:20 Unique 2.29, 2.44 A)
&rst
ixpk= 613, nxpk= 20, iat=1918, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1920,1921,
&end
#
# 124 LYS HG- 124 LYS HB+ 3.50 (# 614:20 Unique 2.28, 2.62 A)
&rst
ixpk= 614, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1923,1924,
igr2=1920,1921,
&end
#
# 114 GLU HB- 114 GLU HG+ 4.50 (# 615:20 Unique 2.23, 2.70 A)
&rst
ixpk= 615, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1750,1751,
igr2=1753,1754,
&end
#
# 114 GLU HB+ 114 GLU HG+ 2.80 (# 617:20 Unique 2.23, 2.70 A)
&rst
ixpk= 617, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1750,1751,
igr2=1753,1754,
&end
#
# 114 GLU HB+ 114 GLU HG- 2.80 (# 618:20 Unique 2.23, 2.70 A)
&rst
ixpk= 618, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1750,1751,
igr2=1753,1754,
&end
#
# 100 VAL HN 99 MET HB- 3.50 (# 621:20 Unique 2.76, 3.26 A)
&rst
ixpk= 621, nxpk= 20, iat=1518, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1505,1506,
&end
#
# 99 MET HA 99 MET HB- 2.80 (# 622:20 Unique 2.50, 2.77 A)
&rst
ixpk= 622, nxpk= 20, iat=1503, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1505,1506,
&end
#
# 99 MET HN 99 MET HB- 2.80 (# 623:20 Unique 2.36, 2.98 A)
&rst
ixpk= 623, nxpk= 20, iat=1501, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1505,1506,
&end
#
# 99 MET HG- 99 MET HB- 3.50 (# 624:20 Unique 2.37, 2.65 A)
&rst
ixpk= 624, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1508,1509,
igr2=1505,1506,
&end
#
# 99 MET HG+ 99 MET HB- 3.50 (# 625:20 Unique 2.37, 2.65 A)
&rst
ixpk= 625, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1508,1509,
igr2=1505,1506,
&end
#
# 85 GLN HN 85 GLN HG+ 3.50 (# 630:20 Unique 2.24, 3.14 A)
&rst
ixpk= 630, nxpk= 20, iat=1278, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1285,1286,
&end
#
# 85 GLN HA 85 GLN HG+ 2.80 (# 631:20 Unique 2.40, 3.31 A)
&rst
ixpk= 631, nxpk= 20, iat=1280, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1285,1286,
&end
#
# 86 PRO HD- 85 GLN HG+ 4.50 (# 632:20 Unique 3.91, 4.83 A)
&rst
ixpk= 632, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1296,1297,
igr2=1285,1286,
&end
#
# 85 GLN HB+ 85 GLN HG+ 2.80 (# 633:20 Unique 2.31, 2.62 A)
&rst
ixpk= 633, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1282,1283,
igr2=1285,1286,
&end
#
# 86 PRO HD+ 85 GLN HG+ 4.50 (# 634:20 Unique 3.91, 4.83 A)
&rst
ixpk= 634, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1296,1297,
igr2=1285,1286,
&end
#
# 117 VAL MGY 24 TRP HB+ 2.80 (# 636:20 Unique 2.18, 3.81 A)
&rst
ixpk= 636, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1804,1805,1806,1808,1809,1810,
igr2= 373, 374,
&end
#
# 117 VAL MGY 24 TRP HB- 3.50 (# 638:20 Unique 2.18, 3.81 A)
&rst
ixpk= 638, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1804,1805,1806,1808,1809,1810,
igr2= 373, 374,
&end
#
# 75 ARG HG- 75 ARG HB- 3.50 (# 639:20 Unique 2.41, 2.77 A)
&rst
ixpk= 639, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1122,1123,
igr2=1119,1120,
&end
#
# 75 ARG HA 75 ARG HB- 2.80 (# 640:20 Unique 2.34, 2.55 A)
&rst
ixpk= 640, nxpk= 20, iat=1117, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1119,1120,
&end
#
# 76 VAL HN 75 ARG HB- 3.50 (# 641:20 Unique 2.42, 3.30 A)
&rst
ixpk= 641, nxpk= 20, iat=1139, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1119,1120,
&end
#
# 75 ARG HD- 75 ARG HB- 4.50 (# 642:20 Unique 2.40, 3.02 A)
&rst
ixpk= 642, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1125,1126,
igr2=1119,1120,
&end
#
# 75 ARG HD+ 75 ARG HB- 4.50 (# 643:20 Unique 2.40, 3.02 A)
&rst
ixpk= 643, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1125,1126,
igr2=1119,1120,
&end
#
# 105 LYS HN 105 LYS HB+ 3.50 (# 644:20 Unique 2.35, 3.04 A)
&rst
ixpk= 644, nxpk= 20, iat=1597, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1601,1602,
&end
#
# 105 LYS HA 105 LYS HB+ 2.80 (# 646:20 Unique 2.39, 2.68 A)
&rst
ixpk= 646, nxpk= 20, iat=1599, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1601,1602,
&end
#
# 105 LYS HG- 105 LYS HB+ 2.80 (# 647:20 Unique 2.41, 2.75 A)
&rst
ixpk= 647, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1604,1605,
igr2=1601,1602,
&end
#
# 99 MET HN 99 MET HG- 3.50 (# 648:20 Unique 2.35, 3.00 A)
&rst
ixpk= 648, nxpk= 20, iat=1501, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1508,1509,
&end
#
# 116 PHE HE 99 MET HG- 4.50 (# 650:20 Unique 2.40, 5.28 A)
&rst
ixpk= 650, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1788,1792,
igr2=1508,1509,
&end
#
# 99 MET HA 99 MET HG- 3.50 (# 651:20 Unique 2.70, 3.21 A)
&rst
ixpk= 651, nxpk= 20, iat=1503, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1508,1509,
&end
#
# 99 MET HA 99 MET HG+ 2.80 (# 652:20 Unique 2.70, 3.21 A)
&rst
ixpk= 652, nxpk= 20, iat=1503, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1508,1509,
&end
#
# 0 AMB 20-2:654 0 AMB 20-1:654 4.50 (# 654:20 Double Ambig)
&rst
ixpk= 654, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1512,1513,1514,1490,1491,
igr2=1508,1509,1508,1509,
&end
#
# 99 MET HN 99 MET HG+ 3.50 (# 655:20 Unique 2.35, 3.00 A)
&rst
ixpk= 655, nxpk= 20, iat=1501, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1508,1509,
&end
#
# 99 MET HB- 99 MET HG+ 2.80 (# 656:20 Unique 2.37, 2.65 A)
&rst
ixpk= 656, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1505,1506,
igr2=1508,1509,
&end
#
# 97 LYS HN 0 AMB 20-1:657 2.80 (# 657:20 Single Ambig)
&rst
ixpk= 657, nxpk= 20, iat=1464, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2=1468,1469,1468,1469,
&end
#
# 98 GLU HN 0 AMB 20-1:658 3.50 (# 658:20 Single Ambig)
&rst
ixpk= 658, nxpk= 20, iat=1486, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2=1468,1469,1468,1469,
&end
#
# 97 LYS HA 0 AMB 20-1:659 2.80 (# 659:20 Single Ambig)
&rst
ixpk= 659, nxpk= 20, iat=1466, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2=1468,1469,1468,1469,
&end
#
# 97 LYS HG- 0 AMB 20-1:660 2.80 (# 660:20 Single Ambig)
&rst
ixpk= 660, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1471,1472,
igr2=1468,1469,1468,1469,
&end
#
# 88 PRO HA 88 PRO HB- 2.80 (# 661:20 Unique 2.28, 2.52 A)
&rst
ixpk= 661, nxpk= 20, iat=1343, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1340,1341,
&end
#
# 0 AMB 20-2:662 88 PRO HB- 2.80 (# 662:20 Single Ambig)
&rst
ixpk= 662, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1337,1338,1382,
igr2=1340,1341,
&end
#
# 88 PRO HG- 88 PRO HB- 2.80 (# 663:20 Unique 2.36, 2.63 A)
&rst
ixpk= 663, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1337,1338,
igr2=1340,1341,
&end
#
# 104 MET ME 104 MET HG- 3.50 (# 665:20 Unique 2.46, 3.20 A)
&rst
ixpk= 665, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1591,1592,1593,
igr2=1587,1588,
&end
#
# 104 MET HB+ 104 MET HG- 3.50 (# 666:20 Unique 2.38, 2.68 A)
&rst
ixpk= 666, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1584,1585,
igr2=1587,1588,
&end
#
# 104 MET HB+ 104 MET HG+ 2.80 (# 668:20 Unique 2.38, 2.68 A)
&rst
ixpk= 668, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1584,1585,
igr2=1587,1588,
&end
#
# 53 VAL HA 53 VAL HB 3.50 (# 669:20 Unique 2.34, 2.64 A)
&rst
ixpk= 669, nxpk= 20, iat= 785, 787, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 53 VAL MGY 53 VAL HB 2.80 (# 670:20 Unique 2.35, 2.66 A)
&rst
ixpk= 670, nxpk= 20, iat= -1, 787, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 789, 790, 791, 793, 794, 795,
&end
#
# 50 VAL HA 50 VAL HB 2.80 (# 671:20 Unique 2.39, 2.49 A)
&rst
ixpk= 671, nxpk= 20, iat= 738, 740, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 20-2:672 50 VAL HB 2.80 (# 672:20 Single Ambig)
&rst
ixpk= 672, nxpk= 20, iat= -1, 740, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 742, 743, 744, 746, 747, 748, 742, 743, 744, 746,
747, 748,
&end
#
# 94 SER HA 0 AMB 20-1:673 3.50 (# 673:20 Single Ambig)
&rst
ixpk= 673, nxpk= 20, iat=1434, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2=1468,1469,1468,1469,
&end
#
# 84 TYR HN 83 GLU HB+ 2.80 (# 674:20 Unique 2.38, 2.98 A)
&rst
ixpk= 674, nxpk= 20, iat=1257, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1246,1247,
&end
#
# 83 GLU HN 83 GLU HB+ 2.80 (# 675:20 Unique 2.44, 3.10 A)
&rst
ixpk= 675, nxpk= 20, iat=1242, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1246,1247,
&end
#
# 84 TYR HE 83 GLU HB+ 3.50 (# 676:20 Unique 2.92, 3.98 A)
&rst
ixpk= 676, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1267,1272,
igr2=1246,1247,
&end
#
# 84 TYR HH 83 GLU HB+ 4.50 (# 677:20 Unique 3.65, 4.29 A)
&rst
ixpk= 677, nxpk= 20, iat=1270, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1246,1247,
&end
#
# 83 GLU HA 83 GLU HB+ 2.80 (# 678:20 Unique 2.45, 2.76 A)
&rst
ixpk= 678, nxpk= 20, iat=1244, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1246,1247,
&end
#
# 0 AMB 20-2:679 0 AMB 20-1:679 2.80 (# 679:20 Double Ambig)
&rst
ixpk= 679, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1249,1250,1249,1250,
igr2=1246,1247,1246,1247,
&end
#
# 80 LEU MDY 83 GLU HB+ 4.50 (# 680:20 Unique 3.13, 5.29 A)
&rst
ixpk= 680, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1203,1204,1205,1207,1208,1209,
igr2=1246,1247,
&end
#
# 91 VAL MGX 88 PRO HB- 3.50 (# 681:20 Unique 2.33, 5.47 A)
&rst
ixpk= 681, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1384,1385,1386,1388,1389,1390,
igr2=1340,1341,
&end
#
# 0 AMB 20-2:684 0 AMB 20-1:684 2.80 (# 684:20 Double Ambig)
&rst
ixpk= 684, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 789, 790, 791, 793, 794, 795,1384,1385,1386,1388,
1389,1390,
igr2= 672, 673,1382,
&end
#
# 62 ARG HD- 62 ARG HB- 3.50 (# 687:20 Unique 2.42, 3.12 A)
&rst
ixpk= 687, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 927, 928,
igr2= 921, 922,
&end
#
# 76 VAL HN 76 VAL HB 2.80 (# 688:20 Unique 2.45, 2.56 A)
&rst
ixpk= 688, nxpk= 20, iat=1139,1143, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 9 LYS HN 9 LYS HB+ 3.50 (# 689:20 Unique 2.39, 3.13 A)
&rst
ixpk= 689, nxpk= 20, iat= 119, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 123, 124,
&end
#
# 10 PRO HD- 9 LYS HB+ 2.80 (# 690:20 Unique 2.10, 3.45 A)
&rst
ixpk= 690, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 142, 143,
igr2= 123, 124,
&end
#
# 9 LYS HN 9 LYS HB- 3.50 (# 691:20 Unique 2.39, 3.13 A)
&rst
ixpk= 691, nxpk= 20, iat= 119, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 123, 124,
&end
#
# 91 VAL MGX 88 PRO HB+ 3.50 (# 694:20 Unique 2.33, 5.47 A)
&rst
ixpk= 694, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1384,1385,1386,1388,1389,1390,
igr2=1340,1341,
&end
#
# 69 VAL HN 68 VAL HB 3.50 (# 695:20 Unique 2.65, 2.78 A)
&rst
ixpk= 695, nxpk= 20, iat=1042,1030, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:696 68 VAL HB 2.80 (# 696:20 Single Ambig)
&rst
ixpk= 696, nxpk= 20, iat= -1,1030, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 982,1028,
&end
#
# 68 VAL HN 68 VAL HB 2.80 (# 697:20 Unique 2.32, 2.43 A)
&rst
ixpk= 697, nxpk= 20, iat=1026,1030, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 20-2:698 68 VAL HB 2.80 (# 698:20 Single Ambig)
&rst
ixpk= 698, nxpk= 20, iat= -1,1030, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
1037,1038, 515, 516, 517, 519, 520, 521,
&end
#
# 22 GLU HG+ 22 GLU HB+ 4.50 (# 699:20 Unique 2.24, 2.63 A)
&rst
ixpk= 699, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 344, 345,
igr2= 341, 342,
&end
#
# 100 VAL MGX 62 ARG HB+ 4.50 (# 701:20 Unique 2.20, 4.02 A)
&rst
ixpk= 701, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1524,1525,1526,1528,1529,1530,
igr2= 921, 922,
&end
#
# 62 ARG HG+ 62 ARG HB+ 2.80 (# 702:20 Unique 2.38, 2.77 A)
&rst
ixpk= 702, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 924, 925,
igr2= 921, 922,
&end
#
# 0 AMB 20-2:704 0 AMB 20-1:704 4.50 (# 704:20 Double Ambig)
&rst
ixpk= 704, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 666, 667, 622, 623,
igr2= 672, 673, 611, 612,
&end
#
# 0 AMB 20-2:705 0 AMB 20-1:705 3.50 (# 705:20 Double Ambig)
&rst
ixpk= 705, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 822, 823,1380,
igr2= 672, 673,1382,
&end
#
# 0 AMB 20-2:706 0 AMB 20-1:706 4.50 (# 706:20 Double Ambig)
&rst
ixpk= 706, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 679,1394,
igr2= 672, 673,1382,
&end
#
# 91 VAL HN 91 VAL HB 2.80 (# 707:20 Unique 2.50, 2.65 A)
&rst
ixpk= 707, nxpk= 20, iat=1378,1382, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 91 VAL MGX 91 VAL HB 2.80 (# 708:20 Unique 2.43, 2.67 A)
&rst
ixpk= 708, nxpk= 20, iat= -1,1382, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1384,1385,1386,1388,1389,1390,
&end
#
# 109 VAL HA 109 VAL HB 3.50 (# 709:20 Unique 2.35, 2.65 A)
&rst
ixpk= 709, nxpk= 20, iat=1672,1674, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 109 VAL MGX 109 VAL HB 2.80 (# 710:20 Unique 2.30, 2.65 A)
&rst
ixpk= 710, nxpk= 20, iat= -1,1674, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1676,1677,1678,1680,1681,1682,
&end
#
# 62 ARG HN 62 ARG HB- 3.50 (# 711:20 Unique 2.42, 2.76 A)
&rst
ixpk= 711, nxpk= 20, iat= 917, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 921, 922,
&end
#
# 0 AMB 20-2:712 0 AMB 20-1:712 4.50 (# 712:20 Double Ambig)
&rst
ixpk= 712, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 142, 143,1296,1297,
igr2= 148, 149,1302,1303,
&end
#
# 62 ARG HA 62 ARG HB- 4.50 (# 713:20 Unique 2.43, 2.77 A)
&rst
ixpk= 713, nxpk= 20, iat= 919, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 921, 922,
&end
#
# 62 ARG HG+ 62 ARG HB- 4.50 (# 715:20 Unique 2.38, 2.77 A)
&rst
ixpk= 715, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 924, 925,
igr2= 921, 922,
&end
#
# 0 AMB 20-2:716 0 AMB 20-1:716 2.80 (# 716:20 Double Ambig)
&rst
ixpk= 716, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1=1353,1354,1355,1357,1358,1359,1524,1525,1526,1528,
1529,1530,
igr2= 148, 149, 921, 922,
&end
#
# 86 PRO HA 86 PRO HB- 3.50 (# 717:20 Unique 2.27, 2.61 A)
&rst
ixpk= 717, nxpk= 20, iat=1305, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1302,1303,
&end
#
# 43 PRO HD+ 43 PRO HB+ 4.50 (# 718:20 Unique 2.77, 3.67 A)
&rst
ixpk= 718, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 666, 667,
igr2= 672, 673,
&end
#
# 76 VAL MGY 76 VAL HB 2.80 (# 719:20 Unique 2.41, 2.67 A)
&rst
ixpk= 719, nxpk= 20, iat= -1,1143, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1145,1146,1147,1149,1150,1151,
&end
#
# 89 VAL MGX 10 PRO HB- 5.50 (# 720:20 Unique 2.18, 4.51 A)
&rst
ixpk= 720, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1353,1354,1355,1357,1358,1359,
igr2= 148, 149,
&end
#
# 76 VAL MGX 76 VAL HB 2.80 (# 721:20 Unique 2.41, 2.67 A)
&rst
ixpk= 721, nxpk= 20, iat= -1,1143, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1145,1146,1147,1149,1150,1151,
&end
#
# 0 AMB 20-2:722 69 VAL HB 2.80 (# 722:20 Single Ambig)
&rst
ixpk= 722, nxpk= 20, iat= -1,1046, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1048,1049,1050,1052,1053,1054,1032,1033,1034,1036,
1037,1038,
&end
#
# 0 AMB 20-2:723 69 VAL HB 2.80 (# 723:20 Single Ambig)
&rst
ixpk= 723, nxpk= 20, iat= -1,1046, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 989, 990, 991, 993, 994, 995,1048,1049,1050,1052,
1053,1054,
&end
#
# 62 ARG HA 62 ARG HB+ 3.50 (# 725:20 Unique 2.43, 2.77 A)
&rst
ixpk= 725, nxpk= 20, iat= 919, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 921, 922,
&end
#
# 62 ARG HD- 62 ARG HB+ 4.50 (# 726:20 Unique 2.42, 3.12 A)
&rst
ixpk= 726, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 927, 928,
igr2= 921, 922,
&end
#
# 100 VAL MGY 62 ARG HB+ 5.50 (# 728:20 Unique 2.20, 4.02 A)
&rst
ixpk= 728, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1524,1525,1526,1528,1529,1530,
igr2= 921, 922,
&end
#
# 15 GLU HG- 15 GLU HB+ 4.50 (# 729:20 Unique 2.35, 2.76 A)
&rst
ixpk= 729, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 219, 220,
igr2= 216, 217,
&end
#
# 0 AMB 20-2:731 15 GLU HB- 3.50 (# 731:20 Single Ambig)
&rst
ixpk= 731, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 214,1159,1160,
igr2= 216, 217,
&end
#
# 0 AMB 20-2:733 0 AMB 20-1:733 2.80 (# 733:20 Double Ambig)
&rst
ixpk= 733, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1353,1354,1355,1357,1358,1359,1524,1525,1526,1528,
1529,1530,
igr2=1351,1522,
&end
#
# 90 GLU HN 89 VAL HB 4.50 (# 734:20 Unique 2.87, 3.45 A)
&rst
ixpk= 734, nxpk= 20, iat=1363,1351, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 89 VAL HN 89 VAL HB 2.80 (# 735:20 Unique 2.31, 2.37 A)
&rst
ixpk= 735, nxpk= 20, iat=1347,1351, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 89 VAL HA 89 VAL HB 3.50 (# 736:20 Unique 2.38, 2.76 A)
&rst
ixpk= 736, nxpk= 20, iat=1349,1351, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 89 VAL MGY 89 VAL HB 2.80 (# 737:20 Unique 2.39, 2.66 A)
&rst
ixpk= 737, nxpk= 20, iat= -1,1351, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1353,1354,1355,1357,1358,1359,
&end
#
# 10 PRO HA 10 PRO HB+ 2.80 (# 738:20 Unique 2.26, 2.67 A)
&rst
ixpk= 738, nxpk= 20, iat= 151, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 148, 149,
&end
#
# 89 VAL MGY 10 PRO HB+ 2.80 (# 739:20 Unique 2.18, 4.51 A)
&rst
ixpk= 739, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1353,1354,1355,1357,1358,1359,
igr2= 148, 149,
&end
#
# 10 PRO HA 10 PRO HB- 2.80 (# 740:20 Unique 2.26, 2.67 A)
&rst
ixpk= 740, nxpk= 20, iat= 151, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 148, 149,
&end
#
# 0 AMB 20-2:741 8 PRO HB- 3.50 (# 741:20 Single Ambig)
&rst
ixpk= 741, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 206, 207, 208, 989, 990, 991, 993, 994, 995,
igr2= 112, 113,
&end
#
# 8 PRO HG- 8 PRO HB- 4.50 (# 742:20 Unique 2.36, 2.64 A)
&rst
ixpk= 742, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 109, 110,
igr2= 112, 113,
&end
#
# 0 AMB 20-2:743 0 AMB 20-1:743 4.50 (# 743:20 Double Ambig)
&rst
ixpk= 743, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 426, 427, 106, 107,
igr2= 112, 113, 112, 113,
&end
#
# 100 VAL MGY 100 VAL HB 2.80 (# 744:20 Unique 2.39, 2.67 A)
&rst
ixpk= 744, nxpk= 20, iat= -1,1522, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1524,1525,1526,1528,1529,1530,
&end
#
# 100 VAL HN 100 VAL HB 2.80 (# 745:20 Unique 2.28, 2.59 A)
&rst
ixpk= 745, nxpk= 20, iat=1518,1522, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 100 VAL HA 100 VAL HB 3.50 (# 746:20 Unique 2.57, 3.01 A)
&rst
ixpk= 746, nxpk= 20, iat=1520,1522, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 9 LYS HN 8 PRO HB- 4.50 (# 747:20 Unique 2.72, 3.39 A)
&rst
ixpk= 747, nxpk= 20, iat= 119, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 112, 113,
&end
#
# 27 TYR HB+ 8 PRO HB- 5.50 (# 748:20 Unique 2.66, 3.65 A)
&rst
ixpk= 748, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 426, 427,
igr2= 112, 113,
&end
#
# 0 AMB 20-2:749 8 PRO HB- 4.50 (# 749:20 Single Ambig)
&rst
ixpk= 749, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 109, 110, 203, 204,
igr2= 112, 113,
&end
#
# 76 VAL MGX 8 PRO HB- 2.80 (# 750:20 Unique 2.36, 4.53 A)
&rst
ixpk= 750, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1145,1146,1147,1149,1150,1151,
igr2= 112, 113,
&end
#
# 8 PRO HA 8 PRO HB- 2.80 (# 752:20 Unique 2.30, 2.52 A)
&rst
ixpk= 752, nxpk= 20, iat= 115, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 112, 113,
&end
#
# 9 LYS HN 8 PRO HB+ 4.50 (# 753:20 Unique 2.72, 3.39 A)
&rst
ixpk= 753, nxpk= 20, iat= 119, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 112, 113,
&end
#
# 8 PRO HA 8 PRO HB+ 3.50 (# 754:20 Unique 2.30, 2.52 A)
&rst
ixpk= 754, nxpk= 20, iat= 115, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 112, 113,
&end
#
# 0 AMB 20-2:756 0 AMB 20-1:756 3.50 (# 756:20 Double Ambig)
&rst
ixpk= 756, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 109, 110, 203, 204,
igr2= 112, 113, 112, 113,
&end
#
# 8 PRO HG- 8 PRO HB+ 3.50 (# 757:20 Unique 2.36, 2.64 A)
&rst
ixpk= 757, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 109, 110,
igr2= 112, 113,
&end
#
# 60 VAL MGX 60 VAL HB 2.80 (# 758:20 Unique 2.39, 2.68 A)
&rst
ixpk= 758, nxpk= 20, iat= -1, 883, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 885, 886, 887, 889, 890, 891,
&end
#
# 101 GLY HN 60 VAL HB 3.50 (# 759:20 Unique 2.71, 2.81 A)
&rst
ixpk= 759, nxpk= 20, iat=1534, 883, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 60 VAL HN 60 VAL HB 3.50 (# 760:20 Unique 2.54, 2.59 A)
&rst
ixpk= 760, nxpk= 20, iat= 879, 883, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 102 GLN HN 60 VAL HB 3.50 (# 761:20 Unique 2.71, 2.80 A)
&rst
ixpk= 761, nxpk= 20, iat=1541, 883, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:762 60 VAL HB 4.50 (# 762:20 Single Ambig)
&rst
ixpk= 762, nxpk= 20, iat= -1, 883, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1545,1546,1522,
&end
#
# 60 VAL MGY 60 VAL HB 2.80 (# 763:20 Unique 2.39, 2.68 A)
&rst
ixpk= 763, nxpk= 20, iat= -1, 883, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 885, 886, 887, 889, 890, 891,
&end
#
# 5 HIS HA 5 HIS HB+ 2.80 (# 765:20 Unique 2.37, 2.67 A)
&rst
ixpk= 765, nxpk= 20, iat= 58, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 60, 61,
&end
#
# 5 HIS HA 5 HIS HB- 3.50 (# 766:20 Unique 2.37, 2.67 A)
&rst
ixpk= 766, nxpk= 20, iat= 58, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 60, 61,
&end
#
# 117 VAL HA 117 VAL HB 2.80 (# 767:20 Unique 2.36, 2.40 A)
&rst
ixpk= 767, nxpk= 20, iat=1800,1802, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 20-2:768 117 VAL HB 3.50 (# 768:20 Single Ambig)
&rst
ixpk= 768, nxpk= 20, iat= -1,1802, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1804,1805,1806,1808,1809,1810, 412, 413, 414, 416,
417, 418,
&end
#
# 117 VAL MGX 117 VAL HB 2.80 (# 769:20 Unique 2.38, 2.64 A)
&rst
ixpk= 769, nxpk= 20, iat= -1,1802, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1804,1805,1806,1808,1809,1810,
&end
#
# 13 LEU MDX 117 VAL HB 2.80 (# 770:20 Unique 2.19, 4.05 A)
&rst
ixpk= 770, nxpk= 20, iat= -1,1802, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 183, 184, 185, 187, 188, 189,
&end
#
# 41 GLU HG+ 41 GLU HB+ 2.80 (# 771:20 Unique 2.26, 2.72 A)
&rst
ixpk= 771, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 636, 637,
igr2= 633, 634,
&end
#
# 41 GLU HA 41 GLU HB- 3.50 (# 772:20 Unique 2.40, 2.78 A)
&rst
ixpk= 772, nxpk= 20, iat= 631, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 633, 634,
&end
#
# 41 GLU HG+ 41 GLU HB- 2.80 (# 773:20 Unique 2.26, 2.72 A)
&rst
ixpk= 773, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 636, 637,
igr2= 633, 634,
&end
#
# 38 PRO HA 38 PRO HB- 4.50 (# 774:20 Unique 2.28, 2.59 A)
&rst
ixpk= 774, nxpk= 20, iat= 600, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 597, 598,
&end
#
# 38 PRO HA 38 PRO HB+ 3.50 (# 775:20 Unique 2.28, 2.59 A)
&rst
ixpk= 775, nxpk= 20, iat= 600, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 597, 598,
&end
#
# 18 ARG HA 18 ARG HB- 4.50 (# 776:20 Unique 2.34, 2.75 A)
&rst
ixpk= 776, nxpk= 20, iat= 268, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 270, 271,
&end
#
# 121 ARG HN 121 ARG HB+ 3.50 (# 778:20 Unique 2.42, 2.64 A)
&rst
ixpk= 778, nxpk= 20, iat=1864, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1868,1869,
&end
#
# 115 HIS HN 115 HIS HB+ 4.50 (# 782:20 Unique 2.22, 2.76 A)
&rst
ixpk= 782, nxpk= 20, iat=1761, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1765,1766,
&end
#
# 7 GLU HA 7 GLU HB- 2.80 (# 783:20 Unique 2.37, 2.72 A)
&rst
ixpk= 783, nxpk= 20, iat= 92, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 94, 95,
&end
#
# 8 PRO HD+ 7 GLU HB- 4.50 (# 784:20 Unique 2.25, 4.23 A)
&rst
ixpk= 784, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 106, 107,
igr2= 94, 95,
&end
#
# 7 GLU HG- 7 GLU HB- 2.80 (# 785:20 Unique 2.43, 2.77 A)
&rst
ixpk= 785, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 97, 98,
igr2= 94, 95,
&end
#
# 6 GLN HA 6 GLN HB- 2.80 (# 787:20 Unique 2.45, 2.78 A)
&rst
ixpk= 787, nxpk= 20, iat= 75, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 77, 78,
&end
#
# 8 PRO HD- 7 GLU HB- 4.50 (# 788:20 Unique 2.25, 4.23 A)
&rst
ixpk= 788, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 106, 107,
igr2= 94, 95,
&end
#
# 7 GLU HA 7 GLU HB+ 2.80 (# 789:20 Unique 2.37, 2.72 A)
&rst
ixpk= 789, nxpk= 20, iat= 92, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 94, 95,
&end
#
# 6 GLN HA 6 GLN HB+ 2.80 (# 791:20 Unique 2.45, 2.78 A)
&rst
ixpk= 791, nxpk= 20, iat= 75, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 77, 78,
&end
#
# 7 GLU HG- 7 GLU HB+ 2.80 (# 792:20 Unique 2.43, 2.77 A)
&rst
ixpk= 792, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 97, 98,
igr2= 94, 95,
&end
#
# 0 AMB 20-2:793 114 GLU HB- 4.50 (# 793:20 Single Ambig)
&rst
ixpk= 793, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1753,1754,1820,1821,1822,
igr2=1750,1751,
&end
#
# 97 LYS HE+ 97 LYS HD+ 3.50 (# 795:20 Unique 2.48, 2.78 A)
&rst
ixpk= 795, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1477,1478,
igr2=1474,1475,
&end
#
# 97 LYS HN 97 LYS HD+ 4.50 (# 796:20 Unique 3.70, 4.16 A)
&rst
ixpk= 796, nxpk= 20, iat=1464, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1474,1475,
&end
#
# 94 SER HA 97 LYS HD+ 3.50 (# 797:20 Unique 2.56, 3.30 A)
&rst
ixpk= 797, nxpk= 20, iat=1434, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1474,1475,
&end
#
# 82 HIS HA 82 HIS HB+ 2.80 (# 800:20 Preassigned 2.20, 2.66 A)
&rst
ixpk= 800, nxpk= 20, iat=1227, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1229,1230,
&end
#
# 82 HIS HA 82 HIS HB- 2.80 (# 802:20 Unique 2.20, 2.66 A)
&rst
ixpk= 802, nxpk= 20, iat=1227, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1229,1230,
&end
#
# 98 GLU HN 0 AMB 20-1:803 2.80 (# 803:20 Single Ambig)
&rst
ixpk= 803, nxpk= 20, iat=1486, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2=1490,1491,1490,1491,
&end
#
# 99 MET HN 0 AMB 20-1:804 2.80 (# 804:20 Single Ambig)
&rst
ixpk= 804, nxpk= 20, iat=1501, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2=1490,1491,1490,1491,
&end
#
# 98 GLU HA 0 AMB 20-1:805 2.80 (# 805:20 Single Ambig)
&rst
ixpk= 805, nxpk= 20, iat=1488, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2=1490,1491,1490,1491,
&end
#
# 98 GLU HG- 0 AMB 20-1:806 2.80 (# 806:20 Single Ambig)
&rst
ixpk= 806, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1493,1494,
igr2=1490,1491,1490,1491,
&end
#
# 8 PRO HD+ 7 GLU HB+ 4.50 (# 807:20 Unique 2.25, 4.23 A)
&rst
ixpk= 807, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 106, 107,
igr2= 94, 95,
&end
#
# 0 AMB 20-2:808 0 AMB 20-1:808 4.50 (# 808:20 Double Ambig)
&rst
ixpk= 808, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1471,1472,1868,1869,
igr2= 535, 536,1313,1314,
&end
#
# 93 ILE QG2 97 LYS HD+ 2.80 (# 809:20 Unique 2.56, 4.05 A)
&rst
ixpk= 809, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1419,1420,1421,
igr2=1474,1475,
&end
#
# 97 LYS HA 97 LYS HD+ 4.50 (# 810:20 Unique 4.40, 4.52 A)
&rst
ixpk= 810, nxpk= 20, iat=1466, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1474,1475,
&end
#
# 97 LYS HE- 97 LYS HD+ 2.80 (# 811:20 Unique 2.48, 2.78 A)
&rst
ixpk= 811, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1477,1478,
igr2=1474,1475,
&end
#
# 0 AMB 20-2:812 0 AMB 20-1:812 2.80 (# 812:20 Double Ambig)
&rst
ixpk= 812, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1468,1469,1468,1469,
igr2=1474,1475,1474,1475,
&end
#
# 97 LYS HG- 97 LYS HD+ 2.80 (# 813:20 Unique 2.41, 2.76 A)
&rst
ixpk= 813, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1471,1472,
igr2=1474,1475,
&end
#
# 86 PRO HD- 85 GLN HB+ 3.50 (# 814:20 Unique 2.21, 3.59 A)
&rst
ixpk= 814, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1296,1297,
igr2=1282,1283,
&end
#
# 64 ARG HG- 64 ARG HB- 3.50 (# 815:20 Unique 2.32, 2.77 A)
&rst
ixpk= 815, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 963, 964,
igr2= 960, 961,
&end
#
# 64 ARG HA 64 ARG HB- 4.50 (# 816:20 Unique 2.44, 2.78 A)
&rst
ixpk= 816, nxpk= 20, iat= 958, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 960, 961,
&end
#
# 64 ARG HN 64 ARG HB+ 4.50 (# 817:20 Unique 2.31, 3.01 A)
&rst
ixpk= 817, nxpk= 20, iat= 956, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 960, 961,
&end
#
# 67 ASP HN 64 ARG HB+ 4.50 (# 818:20 Unique 2.32, 2.92 A)
&rst
ixpk= 818, nxpk= 20, iat=1014, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 960, 961,
&end
#
# 64 ARG HA 64 ARG HB+ 3.50 (# 819:20 Preassigned 2.44, 2.78 A)
&rst
ixpk= 819, nxpk= 20, iat= 958, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 960, 961,
&end
#
# 34 ILE QG2 34 ILE HG1+ 2.80 (# 821:20 Preassigned 2.60, 3.59 A)
&rst
ixpk= 821, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 531, 532, 533,
igr2= 535, 536,
&end
#
# 0 AMB 20-2:822 0 AMB 20-1:822 2.80 (# 822:20 Double Ambig)
&rst
ixpk= 822, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 449, 450, 451, 538, 539, 540,
igr2= 535, 536, 535, 536,
&end
#
# 61 LYS HE+ 61 LYS HD+ 2.80 (# 823:20 Unique 2.37, 2.65 A)
&rst
ixpk= 823, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 908, 909,
igr2= 905, 906,
&end
#
# 37 ALA MB 61 LYS HD+ 2.80 (# 824:20 Unique 2.19, 3.69 A)
&rst
ixpk= 824, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 584, 585, 586,
igr2= 905, 906,
&end
#
# 61 LYS HE+ 61 LYS HD- 2.80 (# 825:20 Unique 2.37, 2.65 A)
&rst
ixpk= 825, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 908, 909,
igr2= 905, 906,
&end
#
# 37 ALA MB 61 LYS HD- 2.80 (# 826:20 Unique 2.19, 3.69 A)
&rst
ixpk= 826, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 584, 585, 586,
igr2= 905, 906,
&end
#
# 34 ILE HA 34 ILE HG1- 3.50 (# 827:20 Unique 2.30, 2.60 A)
&rst
ixpk= 827, nxpk= 20, iat= 527, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 535, 536,
&end
#
# 0 AMB 20-2:829 34 ILE HG1- 2.80 (# 829:20 Single Ambig)
&rst
ixpk= 829, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 449, 450, 451, 538, 539, 540,
igr2= 535, 536,
&end
#
# 34 ILE QG2 34 ILE HG1- 3.50 (# 830:20 Unique 2.60, 3.59 A)
&rst
ixpk= 830, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 531, 532, 533,
igr2= 535, 536,
&end
#
# 73 CYS HN 72 CYS HB- 3.50 (# 831:20 Unique 2.07, 3.26 A)
&rst
ixpk= 831, nxpk= 20, iat=1083, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1076,1077,
&end
#
# 16 ILE QG2 72 CYS HB- 3.50 (# 833:20 Unique 2.29, 3.13 A)
&rst
ixpk= 833, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 233, 234, 235,
igr2=1076,1077,
&end
#
# 16 ILE QG2 72 CYS HB+ 3.50 (# 835:20 Unique 2.29, 3.13 A)
&rst
ixpk= 835, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 233, 234, 235,
igr2=1076,1077,
&end
#
# 72 CYS HN 72 CYS HB+ 3.50 (# 836:20 Unique 2.47, 3.11 A)
&rst
ixpk= 836, nxpk= 20, iat=1072, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1076,1077,
&end
#
# 72 CYS HA 72 CYS HB+ 3.50 (# 837:20 Unique 2.38, 2.75 A)
&rst
ixpk= 837, nxpk= 20, iat=1074, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1076,1077,
&end
#
# 85 GLN HN 85 GLN HB+ 2.80 (# 838:20 Unique 2.31, 2.98 A)
&rst
ixpk= 838, nxpk= 20, iat=1278, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1282,1283,
&end
#
# 85 GLN HA 85 GLN HB+ 2.80 (# 839:20 Unique 2.45, 2.80 A)
&rst
ixpk= 839, nxpk= 20, iat=1280, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1282,1283,
&end
#
# 66 GLU HN 66 GLU HB- 2.80 (# 840:20 Unique 2.68, 3.26 A)
&rst
ixpk= 840, nxpk= 20, iat= 999, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1003,1004,
&end
#
# 67 ASP HN 66 GLU HB- 3.50 (# 841:20 Unique 2.06, 2.99 A)
&rst
ixpk= 841, nxpk= 20, iat=1014, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1003,1004,
&end
#
# 66 GLU HA 66 GLU HB- 2.80 (# 842:20 Unique 2.34, 2.70 A)
&rst
ixpk= 842, nxpk= 20, iat=1001, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1003,1004,
&end
#
# 0 AMB 20-2:843 0 AMB 20-1:843 3.50 (# 843:20 Double Ambig)
&rst
ixpk= 843, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1599,1311,
igr2=1607,1608,1313,1314,
&end
#
# 0 AMB 20-2:844 0 AMB 20-1:844 2.80 (# 844:20 Double Ambig)
&rst
ixpk= 844, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1610,1611,1319,1320,
igr2=1607,1608,1313,1314,
&end
#
# 0 AMB 20-2:845 34 ILE HG1- 2.80 (# 845:20 Single Ambig)
&rst
ixpk= 845, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.11, r4= 4.86,
igr1= 529, 921, 922, 924, 925,
igr2= 535, 536,
&end
#
# 102 GLN HN 102 GLN HB- 2.80 (# 846:20 Unique 2.45, 3.07 A)
&rst
ixpk= 846, nxpk= 20, iat=1541, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1545,1546,
&end
#
# 102 GLN HA 102 GLN HB- 2.80 (# 847:20 Unique 2.44, 2.75 A)
&rst
ixpk= 847, nxpk= 20, iat=1543, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1545,1546,
&end
#
# 102 GLN HG+ 102 GLN HB- 2.80 (# 848:20 Unique 2.46, 2.78 A)
&rst
ixpk= 848, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1548,1549,
igr2=1545,1546,
&end
#
# 60 VAL MGY 102 GLN HB- 3.50 (# 849:20 Unique 2.86, 5.47 A)
&rst
ixpk= 849, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 885, 886, 887, 889, 890, 891,
igr2=1545,1546,
&end
#
# 9 LYS HE+ 9 LYS HD+ 2.80 (# 850:20 Unique 2.37, 2.74 A)
&rst
ixpk= 850, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 132, 133,
igr2= 129, 130,
&end
#
# 103 LYS HA 103 LYS HD+ 4.50 (# 851:20 Unique 3.80, 4.53 A)
&rst
ixpk= 851, nxpk= 20, iat=1560, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1568,1569,
&end
#
# 103 LYS HE+ 103 LYS HD+ 2.80 (# 852:20 Unique 2.29, 2.74 A)
&rst
ixpk= 852, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1571,1572,
igr2=1568,1569,
&end
#
# 103 LYS HG+ 103 LYS HD+ 2.80 (# 853:20 Unique 2.37, 2.72 A)
&rst
ixpk= 853, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1565,1566,
igr2=1568,1569,
&end
#
# 124 LYS HA 0 AMB 20-1:854 4.50 (# 854:20 Single Ambig)
&rst
ixpk= 854, nxpk= 20, iat=1918, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2=1926,1927,1926,1927,
&end
#
# 0 AMB 20-2:855 0 AMB 20-1:855 2.80 (# 855:20 Double Ambig)
&rst
ixpk= 855, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1929,1930,1929,1930,1929,1930,
igr2=1926,1927,1926,1927,1926,1927,
&end
#
# 10 PRO HD+ 9 LYS HD- 3.50 (# 858:20 Unique 2.33, 3.31 A)
&rst
ixpk= 858, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 142, 143,
igr2= 129, 130,
&end
#
# 10 PRO HD- 9 LYS HD- 2.80 (# 859:20 Unique 2.33, 3.31 A)
&rst
ixpk= 859, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 142, 143,
igr2= 129, 130,
&end
#
# 0 AMB 20-2:860 9 LYS HD- 2.80 (# 860:20 Single Ambig)
&rst
ixpk= 860, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 123, 124, 148, 149,
igr2= 129, 130,
&end
#
# 90 GLU HN 90 GLU HB- 2.80 (# 862:20 Unique 2.50, 3.09 A)
&rst
ixpk= 862, nxpk= 20, iat=1363, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1367,1368,
&end
#
# 91 VAL HN 90 GLU HB- 3.50 (# 863:20 Unique 3.75, 3.98 A)
&rst
ixpk= 863, nxpk= 20, iat=1378, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1367,1368,
&end
#
# 90 GLU HG+ 90 GLU HB- 2.80 (# 864:20 Unique 2.26, 2.75 A)
&rst
ixpk= 864, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1370,1371,
igr2=1367,1368,
&end
#
# 91 VAL MGX 90 GLU HB- 4.50 (# 865:20 Unique 4.40, 6.78 A)
&rst
ixpk= 865, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1384,1385,1386,1388,1389,1390,
igr2=1367,1368,
&end
#
# 90 GLU HA 90 GLU HB- 2.80 (# 866:20 Unique 2.34, 2.42 A)
&rst
ixpk= 866, nxpk= 20, iat=1365, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1367,1368,
&end
#
# 9 LYS HA 9 LYS HD+ 4.50 (# 867:20 Unique 2.12, 2.80 A)
&rst
ixpk= 867, nxpk= 20, iat= 121, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 129, 130,
&end
#
# 29 GLY HA- 9 LYS HD+ 5.50 (# 868:20 Unique 5.23, 6.37 A)
&rst
ixpk= 868, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 464, 465,
igr2= 129, 130,
&end
#
# 10 PRO HD+ 9 LYS HD+ 3.50 (# 869:20 Unique 2.33, 3.31 A)
&rst
ixpk= 869, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 142, 143,
igr2= 129, 130,
&end
#
# 10 PRO HD- 9 LYS HD+ 3.50 (# 870:20 Unique 2.33, 3.31 A)
&rst
ixpk= 870, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 142, 143,
igr2= 129, 130,
&end
#
# 124 LYS HG- 121 ARG HG+ 4.50 (# 872:20 Unique 4.51, 5.62 A)
&rst
ixpk= 872, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1923,1924,
igr2=1871,1872,
&end
#
# 88 PRO HA 88 PRO HG+ 4.50 (# 873:20 Unique 2.88, 3.94 A)
&rst
ixpk= 873, nxpk= 20, iat=1343, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1337,1338,
&end
#
# 88 PRO HD+ 88 PRO HG+ 2.80 (# 874:20 Unique 2.26, 2.59 A)
&rst
ixpk= 874, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1334,1335,
igr2=1337,1338,
&end
#
# 88 PRO HD- 88 PRO HG+ 3.50 (# 875:20 Unique 2.26, 2.59 A)
&rst
ixpk= 875, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1334,1335,
igr2=1337,1338,
&end
#
# 91 VAL MGX 88 PRO HG+ 3.50 (# 876:20 Unique 2.36, 4.26 A)
&rst
ixpk= 876, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1384,1385,1386,1388,1389,1390,
igr2=1337,1338,
&end
#
# 88 PRO HB- 88 PRO HG+ 2.80 (# 877:20 Unique 2.36, 2.63 A)
&rst
ixpk= 877, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1340,1341,
igr2=1337,1338,
&end
#
# 88 PRO HB+ 88 PRO HG+ 2.80 (# 878:20 Unique 2.36, 2.63 A)
&rst
ixpk= 878, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1340,1341,
igr2=1337,1338,
&end
#
# 88 PRO HD- 88 PRO HG- 3.50 (# 879:20 Unique 2.26, 2.59 A)
&rst
ixpk= 879, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1334,1335,
igr2=1337,1338,
&end
#
# 91 VAL MGX 88 PRO HG- 4.50 (# 880:20 Unique 2.36, 4.26 A)
&rst
ixpk= 880, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1384,1385,1386,1388,1389,1390,
igr2=1337,1338,
&end
#
# 88 PRO HA 88 PRO HG- 3.50 (# 881:20 Unique 2.88, 3.94 A)
&rst
ixpk= 881, nxpk= 20, iat=1343, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1337,1338,
&end
#
# 93 ILE HA 93 ILE HG1+ 4.50 (# 882:20 Unique 2.39, 2.74 A)
&rst
ixpk= 882, nxpk= 20, iat=1415, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1423,1424,
&end
#
# 93 ILE HB 93 ILE HG1+ 2.80 (# 883:20 Unique 2.09, 2.73 A)
&rst
ixpk= 883, nxpk= 20, iat=1417, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1423,1424,
&end
#
# 93 ILE HN 93 ILE HG1+ 2.80 (# 884:20 Unique 2.46, 3.21 A)
&rst
ixpk= 884, nxpk= 20, iat=1413, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1423,1424,
&end
#
# 93 ILE QG2 93 ILE HG1+ 2.80 (# 885:20 Preassigned 2.38, 3.48 A)
&rst
ixpk= 885, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1419,1420,1421,
igr2=1423,1424,
&end
#
# 0 AMB 20-2:886 0 AMB 20-1:886 2.80 (# 886:20 Double Ambig)
&rst
ixpk= 886, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 449, 450, 451,1426,1427,1428,
igr2=1423,1424,1423,1424,
&end
#
# 93 ILE HN 93 ILE HG1- 3.50 (# 888:20 Unique 2.46, 3.21 A)
&rst
ixpk= 888, nxpk= 20, iat=1413, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1423,1424,
&end
#
# 93 ILE HA 93 ILE HG1- 4.50 (# 889:20 Unique 2.39, 2.74 A)
&rst
ixpk= 889, nxpk= 20, iat=1415, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1423,1424,
&end
#
# 93 ILE QG2 93 ILE HG1- 2.80 (# 891:20 Preassigned 2.38, 3.48 A)
&rst
ixpk= 891, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1419,1420,1421,
igr2=1423,1424,
&end
#
# 0 AMB 20-2:893 93 ILE HG1- 2.80 (# 893:20 Single Ambig)
&rst
ixpk= 893, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 449, 450, 451,1426,1427,1428,
igr2=1423,1424,
&end
#
# 73 CYS HN 73 CYS HB+ 3.50 (# 894:20 Unique 2.38, 2.94 A)
&rst
ixpk= 894, nxpk= 20, iat=1083, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1087,1088,
&end
#
# 74 TYR HN 73 CYS HB+ 3.50 (# 895:20 Unique 2.46, 3.46 A)
&rst
ixpk= 895, nxpk= 20, iat=1094, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1087,1088,
&end
#
# 73 CYS HA 73 CYS HB+ 2.80 (# 896:20 Unique 2.49, 2.78 A)
&rst
ixpk= 896, nxpk= 20, iat=1085, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1087,1088,
&end
#
# 17 PHE HD 73 CYS HB+ 3.50 (# 897:20 Unique 2.49, 4.87 A)
&rst
ixpk= 897, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 254, 262,
igr2=1087,1088,
&end
#
# 64 ARG HN 64 ARG HG+ 3.50 (# 898:20 Unique 2.31, 3.09 A)
&rst
ixpk= 898, nxpk= 20, iat= 956, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 963, 964,
&end
#
# 64 ARG HA 64 ARG HG+ 3.50 (# 899:20 Unique 2.27, 2.74 A)
&rst
ixpk= 899, nxpk= 20, iat= 958, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 963, 964,
&end
#
# 64 ARG HD+ 64 ARG HG+ 3.50 (# 900:20 Unique 2.33, 2.68 A)
&rst
ixpk= 900, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 966, 967,
igr2= 963, 964,
&end
#
# 64 ARG HD- 64 ARG HG+ 3.50 (# 901:20 Unique 2.33, 2.68 A)
&rst
ixpk= 901, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 966, 967,
igr2= 963, 964,
&end
#
# 0 AMB 20-2:904 0 AMB 20-1:904 2.80 (# 904:20 Double Ambig)
&rst
ixpk= 904, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.61, r4= 5.36,
igr1= 233, 234, 235, 270, 271,
igr2= 273, 274, 273, 274,
&end
#
# 62 ARG HB- 62 ARG HG- 3.50 (# 905:20 Unique 2.38, 2.77 A)
&rst
ixpk= 905, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 921, 922,
igr2= 924, 925,
&end
#
# 0 AMB 20-2:906 62 ARG HG- 2.80 (# 906:20 Single Ambig)
&rst
ixpk= 906, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 927, 928, 492, 493,
igr2= 924, 925,
&end
#
# 28 ILE QD1 62 ARG HG- 3.50 (# 907:20 Unique 2.54, 4.08 A)
&rst
ixpk= 907, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 456, 457, 458,
igr2= 924, 925,
&end
#
# 32 TYR HD 62 ARG HG+ 4.50 (# 909:20 Unique 2.28, 4.68 A)
&rst
ixpk= 909, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 496, 505,
igr2= 924, 925,
&end
#
# 0 AMB 20-2:910 0 AMB 20-1:910 2.80 (# 910:20 Double Ambig)
&rst
ixpk= 910, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 927, 928, 492, 493,
igr2= 924, 925, 924, 925,
&end
#
# 62 ARG HB- 62 ARG HG+ 2.80 (# 911:20 Unique 2.38, 2.77 A)
&rst
ixpk= 911, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 921, 922,
igr2= 924, 925,
&end
#
# 64 ARG HN 64 ARG HG- 3.50 (# 912:20 Unique 2.31, 3.09 A)
&rst
ixpk= 912, nxpk= 20, iat= 956, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 963, 964,
&end
#
# 32 TYR HD 64 ARG HG- 4.50 (# 913:20 Unique 3.12, 4.48 A)
&rst
ixpk= 913, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 496, 505,
igr2= 963, 964,
&end
#
# 64 ARG HA 64 ARG HG- 3.50 (# 914:20 Unique 2.27, 2.74 A)
&rst
ixpk= 914, nxpk= 20, iat= 958, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 963, 964,
&end
#
# 64 ARG HD+ 64 ARG HG- 3.50 (# 915:20 Unique 2.33, 2.68 A)
&rst
ixpk= 915, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 966, 967,
igr2= 963, 964,
&end
#
# 64 ARG HD- 64 ARG HG- 3.50 (# 916:20 Unique 2.33, 2.68 A)
&rst
ixpk= 916, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 966, 967,
igr2= 963, 964,
&end
#
# 16 ILE QG2 16 ILE HG1- 3.50 (# 919:20 Unique 2.50, 3.56 A)
&rst
ixpk= 919, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 233, 234, 235,
igr2= 237, 238,
&end
#
# 85 GLN HA 86 PRO HG+ 4.50 (# 920:20 Unique 4.09, 4.57 A)
&rst
ixpk= 920, nxpk= 20, iat=1280, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1299,1300,
&end
#
# 86 PRO HA 86 PRO HG+ 3.50 (# 921:20 Preassigned 2.80, 3.63 A)
&rst
ixpk= 921, nxpk= 20, iat=1305, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1299,1300,
&end
#
# 86 PRO HD+ 86 PRO HG+ 2.80 (# 922:20 Unique 2.31, 2.60 A)
&rst
ixpk= 922, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1296,1297,
igr2=1299,1300,
&end
#
# 86 PRO HB+ 86 PRO HG+ 2.80 (# 923:20 Unique 2.38, 2.63 A)
&rst
ixpk= 923, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1302,1303,
igr2=1299,1300,
&end
#
# 86 PRO HD- 86 PRO HG+ 2.80 (# 924:20 Unique 2.31, 2.60 A)
&rst
ixpk= 924, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1296,1297,
igr2=1299,1300,
&end
#
# 119 GLN HN 119 GLN HB- 2.80 (# 925:20 Unique 2.33, 2.99 A)
&rst
ixpk= 925, nxpk= 20, iat=1828, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1832,1833,
&end
#
# 120 LEU HN 119 GLN HB- 4.50 (# 926:20 Unique 2.93, 3.47 A)
&rst
ixpk= 926, nxpk= 20, iat=1845, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1832,1833,
&end
#
# 119 GLN HG- 119 GLN HB- 2.80 (# 927:20 Unique 2.34, 2.69 A)
&rst
ixpk= 927, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1835,1836,
igr2=1832,1833,
&end
#
# 119 GLN HN 119 GLN HB+ 2.80 (# 928:20 Unique 2.33, 2.99 A)
&rst
ixpk= 928, nxpk= 20, iat=1828, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1832,1833,
&end
#
# 120 LEU HN 119 GLN HB+ 4.50 (# 929:20 Unique 2.93, 3.47 A)
&rst
ixpk= 929, nxpk= 20, iat=1845, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1832,1833,
&end
#
# 119 GLN HA 119 GLN HB+ 2.80 (# 930:20 Unique 2.46, 2.81 A)
&rst
ixpk= 930, nxpk= 20, iat=1830, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1832,1833,
&end
#
# 119 GLN HG- 119 GLN HB+ 2.80 (# 931:20 Unique 2.34, 2.69 A)
&rst
ixpk= 931, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1835,1836,
igr2=1832,1833,
&end
#
# 0 AMB 20-2:932 26 LEU HG 2.80 (# 932:20 Single Ambig)
&rst
ixpk= 932, nxpk= 20, iat= -1, 410, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 412, 413, 414, 416, 417, 418,1458,1459,1460,
&end
#
# 43 PRO HA 43 PRO HG- 3.50 (# 934:20 Preassigned 2.73, 3.87 A)
&rst
ixpk= 934, nxpk= 20, iat= 675, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 669, 670,
&end
#
# 43 PRO HD+ 43 PRO HG- 2.80 (# 935:20 Unique 2.30, 2.61 A)
&rst
ixpk= 935, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 666, 667,
igr2= 669, 670,
&end
#
# 43 PRO HD- 43 PRO HG- 2.80 (# 936:20 Unique 2.30, 2.61 A)
&rst
ixpk= 936, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 666, 667,
igr2= 669, 670,
&end
#
# 39 PRO HA 39 PRO HG+ 4.50 (# 937:20 Unique 2.72, 3.72 A)
&rst
ixpk= 937, nxpk= 20, iat= 614, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 608, 609,
&end
#
# 39 PRO HB- 39 PRO HG+ 2.80 (# 938:20 Unique 2.32, 2.62 A)
&rst
ixpk= 938, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 611, 612,
igr2= 608, 609,
&end
#
# 39 PRO HD- 39 PRO HG+ 3.50 (# 939:20 Unique 2.30, 2.61 A)
&rst
ixpk= 939, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 605, 606,
igr2= 608, 609,
&end
#
# 39 PRO HD+ 39 PRO HG+ 3.50 (# 940:20 Unique 2.30, 2.61 A)
&rst
ixpk= 940, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 605, 606,
igr2= 608, 609,
&end
#
# 39 PRO HA 39 PRO HG- 4.50 (# 941:20 Unique 2.72, 3.72 A)
&rst
ixpk= 941, nxpk= 20, iat= 614, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 608, 609,
&end
#
# 39 PRO HD- 39 PRO HG- 3.50 (# 942:20 Unique 2.30, 2.61 A)
&rst
ixpk= 942, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 605, 606,
igr2= 608, 609,
&end
#
# 0 AMB 20-2:944 0 AMB 20-1:944 3.50 (# 944:20 Double Ambig)
&rst
ixpk= 944, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1311,1699,
igr2=1316,1317,1704,1705,
&end
#
# 87 ARG HD- 87 ARG HG- 3.50 (# 945:20 Unique 2.28, 2.70 A)
&rst
ixpk= 945, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1319,1320,
igr2=1316,1317,
&end
#
# 121 ARG HA 87 ARG HG- 3.50 (# 948:20 Preassigned 2.83, 4.19 A)
&rst
ixpk= 948, nxpk= 20, iat=1866, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1316,1317,
&end
#
# 87 ARG HD- 87 ARG HG+ 4.50 (# 949:20 Unique 2.28, 2.70 A)
&rst
ixpk= 949, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1319,1320,
igr2=1316,1317,
&end
#
# 38 PRO HD+ 38 PRO HG- 3.50 (# 953:20 Unique 2.32, 2.61 A)
&rst
ixpk= 953, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 591, 592,
igr2= 594, 595,
&end
#
# 0 AMB 20-2:954 38 PRO HG- 3.50 (# 954:20 Single Ambig)
&rst
ixpk= 954, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 591, 592, 622, 623,
igr2= 594, 595,
&end
#
# 92 ILE QG2 92 ILE HG1+ 4.50 (# 955:20 Unique 2.50, 3.55 A)
&rst
ixpk= 955, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1400,1401,1402,
igr2=1404,1405,
&end
#
# 92 ILE HN 92 ILE HG1+ 3.50 (# 956:20 Unique 1.91, 2.58 A)
&rst
ixpk= 956, nxpk= 20, iat=1394, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1404,1405,
&end
#
# 0 AMB 20-2:957 0 AMB 20-1:957 2.80 (# 957:20 Double Ambig)
&rst
ixpk= 957, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1707,1708,1396,
igr2=1704,1705,1404,1405,
&end
#
# 0 AMB 20-2:959 0 AMB 20-1:959 3.50 (# 959:20 Double Ambig)
&rst
ixpk= 959, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1311, 292,
igr2=1316,1317, 297,
&end
#
# 0 AMB 20-2:960 0 AMB 20-1:960 4.50 (# 960:20 Double Ambig)
&rst
ixpk= 960, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 290, 799,
igr2= 297, 806,
&end
#
# 23 HIS HD2 38 PRO HG+ 4.50 (# 961:20 Unique 3.16, 4.69 A)
&rst
ixpk= 961, nxpk= 20, iat= 365, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 594, 595,
&end
#
# 0 AMB 20-2:962 0 AMB 20-1:962 4.50 (# 962:20 Double Ambig)
&rst
ixpk= 962, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 591, 592, 622, 623,
igr2= 594, 595, 594, 595,
&end
#
# 19 LEU MDY 19 LEU HG 2.80 (# 963:20 Preassigned 2.38, 2.66 A)
&rst
ixpk= 963, nxpk= 20, iat= -1, 297, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 299, 300, 301, 303, 304, 305,
&end
#
# 0 AMB 20-2:964 0 AMB 20-1:964 5.50 (# 964:20 Double Ambig)
&rst
ixpk= 964, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1404,1405,1868,1869,
igr2=1316,1317,1316,1317,
&end
#
# 26 LEU HA 26 LEU MDY 3.50 (# 965:20 Unique 2.22, 3.42 A)
&rst
ixpk= 965, nxpk= 20, iat= 405, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 412, 413, 414, 416, 417, 418,
&end
#
# 0 AMB 20-2:966 26 LEU MDY 4.50 (# 966:20 Single Ambig)
&rst
ixpk= 966, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 407, 408,1398,
igr2= 412, 413, 414, 416, 417, 418,
&end
#
# 92 ILE QD1 92 ILE HG1- 2.80 (# 968:20 Unique 2.33, 2.66 A)
&rst
ixpk= 968, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1407,1408,1409,
igr2=1404,1405,
&end
#
# 113 CYS HA 113 CYS HB+ 3.50 (# 970:20 Unique 2.35, 2.69 A)
&rst
ixpk= 970, nxpk= 20, iat=1737, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1739,1740,
&end
#
# 97 LYS HA 97 LYS HG+ 3.50 (# 971:20 Unique 2.54, 2.71 A)
&rst
ixpk= 971, nxpk= 20, iat=1466, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1471,1472,
&end
#
# 0 AMB 20-2:973 0 AMB 20-1:973 3.50 (# 973:20 Double Ambig)
&rst
ixpk= 973, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 538, 539, 540, 449, 450, 451,
igr2=1471,1472,1471,1472,
&end
#
# 97 LYS HN 97 LYS HG+ 2.80 (# 974:20 Unique 2.37, 3.05 A)
&rst
ixpk= 974, nxpk= 20, iat=1464, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1471,1472,
&end
#
# 80 LEU HA 80 LEU HG 3.50 (# 975:20 Unique 3.30, 3.36 A)
&rst
ixpk= 975, nxpk= 20, iat=1196,1201, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 80 LEU HN 80 LEU HG 3.50 (# 976:20 Unique 2.01, 2.13 A)
&rst
ixpk= 976, nxpk= 20, iat=1194,1201, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 80 LEU HB- 80 LEU HG 2.80 (# 977:20 Unique 2.39, 2.75 A)
&rst
ixpk= 977, nxpk= 20, iat= -1,1201, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1198,1199,
&end
#
# 0 AMB 20-2:978 80 LEU HG 2.80 (# 978:20 Single Ambig)
&rst
ixpk= 978, nxpk= 20, iat= -1,1201, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1203,1204,1205,1207,1208,1209,1203,1204,1205,1207,
1208,1209,
&end
#
# 8 PRO HA 8 PRO HG+ 3.50 (# 979:20 Unique 2.96, 3.94 A)
&rst
ixpk= 979, nxpk= 20, iat= 115, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 109, 110,
&end
#
# 8 PRO HD- 8 PRO HG+ 3.50 (# 980:20 Unique 2.32, 2.61 A)
&rst
ixpk= 980, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 106, 107,
igr2= 109, 110,
&end
#
# 8 PRO HD+ 8 PRO HG+ 2.80 (# 981:20 Preassigned 2.32, 2.61 A)
&rst
ixpk= 981, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 106, 107,
igr2= 109, 110,
&end
#
# 65 LEU MDX 0 AMB 20-1:982 4.50 (# 982:20 Single Ambig)
&rst
ixpk= 982, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 989, 990, 991, 993, 994, 995,
igr2= 109, 110, 203, 204,
&end
#
# 0 AMB 20-2:983 0 AMB 20-1:983 2.80 (# 983:20 Double Ambig)
&rst
ixpk= 983, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.37, r4= 6.12,
igr1= 112, 113, 197,1423,1424,
igr2= 109, 110, 203, 204, 412, 413, 414, 416, 417, 418,
&end
#
# 14 ILE QD1 14 ILE HG1- 2.80 (# 984:20 Preassigned 2.37, 2.66 A)
&rst
ixpk= 984, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 206, 207, 208,
igr2= 203, 204,
&end
#
# 14 ILE HN 14 ILE HG1- 4.50 (# 985:20 Unique 2.50, 3.36 A)
&rst
ixpk= 985, nxpk= 20, iat= 193, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 203, 204,
&end
#
# 14 ILE HA 14 ILE HG1- 5.50 (# 986:20 Unique 2.40, 2.95 A)
&rst
ixpk= 986, nxpk= 20, iat= 195, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 203, 204,
&end
#
# 0 AMB 20-2:987 0 AMB 20-1:987 2.80 (# 987:20 Double Ambig)
&rst
ixpk= 987, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.18, r4= 5.93,
igr1= 112, 113, 515, 516, 517, 519, 520, 521, 112, 113,
igr2= 109, 110, 203, 204,
&end
#
# 28 ILE HB 28 ILE HG1+ 3.50 (# 988:20 Unique 2.46, 2.79 A)
&rst
ixpk= 988, nxpk= 20, iat= 447, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 453, 454,
&end
#
# 121 ARG HD+ 13 LEU MDY 4.50 (# 989:20 Unique 2.50, 5.62 A)
&rst
ixpk= 989, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1874,1875,
igr2= 183, 184, 185, 187, 188, 189,
&end
#
# 78 ASN HA 13 LEU MDY 3.50 (# 991:20 Unique 2.19, 4.60 A)
&rst
ixpk= 991, nxpk= 20, iat=1171, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 183, 184, 185, 187, 188, 189,
&end
#
# 118 THR HA 13 LEU MDY 4.50 (# 992:20 Unique 2.50, 4.33 A)
&rst
ixpk= 992, nxpk= 20, iat=1816, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 183, 184, 185, 187, 188, 189,
&end
#
# 13 LEU HB- 13 LEU MDY 2.80 (# 994:20 Unique 2.41, 3.36 A)
&rst
ixpk= 994, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 178, 179,
igr2= 183, 184, 185, 187, 188, 189,
&end
#
# 13 LEU HG 13 LEU MDY 2.80 (# 995:20 Unique 2.38, 2.66 A)
&rst
ixpk= 995, nxpk= 20, iat= 181, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 183, 184, 185, 187, 188, 189,
&end
#
# 97 LYS HA 97 LYS HG- 3.50 (# 997:20 Unique 2.54, 2.71 A)
&rst
ixpk= 997, nxpk= 20, iat=1466, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1471,1472,
&end
#
# 0 AMB 20-2:998 97 LYS HG- 2.80 (# 998:20 Single Ambig)
&rst
ixpk= 998, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1468,1469,1468,1469,
igr2=1471,1472,
&end
#
# 0 AMB 20-2:1000 97 LYS HG- 3.50 (# 1000:20 Single Ambig)
&rst
ixpk= 1000, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 538, 539, 540, 449, 450, 451,
igr2=1471,1472,
&end
#
# 8 PRO HD- 8 PRO HG- 3.50 (# 1001:20 Unique 2.32, 2.61 A)
&rst
ixpk= 1001, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 106, 107,
igr2= 109, 110,
&end
#
# 0 AMB 20-2:1002 8 PRO HG- 2.80 (# 1002:20 Single Ambig)
&rst
ixpk= 1002, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 206, 207, 208, 989, 990, 991, 993, 994, 995,
igr2= 109, 110,
&end
#
# 8 PRO HD+ 8 PRO HG- 2.80 (# 1003:20 Unique 2.32, 2.61 A)
&rst
ixpk= 1003, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 106, 107,
igr2= 109, 110,
&end
#
# 8 PRO HB- 8 PRO HG- 2.80 (# 1004:20 Unique 2.36, 2.64 A)
&rst
ixpk= 1004, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 112, 113,
igr2= 109, 110,
&end
#
# 76 VAL MGX 8 PRO HG- 4.50 (# 1006:20 Unique 2.55, 6.24 A)
&rst
ixpk= 1006, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1145,1146,1147,1149,1150,1151,
igr2= 109, 110,
&end
#
# 8 PRO HB+ 8 PRO HG- 3.50 (# 1007:20 Unique 2.36, 2.64 A)
&rst
ixpk= 1007, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 112, 113,
igr2= 109, 110,
&end
#
# 28 ILE HN 28 ILE HG1- 4.50 (# 1008:20 Unique 2.15, 2.71 A)
&rst
ixpk= 1008, nxpk= 20, iat= 443, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 453, 454,
&end
#
# 0 AMB 20-2:1009 0 AMB 20-1:1009 4.50 (# 1009:20 Double Ambig)
&rst
ixpk= 1009, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 426, 427,1477,1478,
igr2= 203, 204,1471,1472,
&end
#
# 0 AMB 20-2:1010 0 AMB 20-1:1010 2.80 (# 1010:20 Double Ambig)
&rst
ixpk= 1010, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
igr1= 206, 207, 208, 989, 990, 991, 993, 994, 995, 199,
200, 201,
igr2= 203, 204, 203, 204, 203, 204,
&end
#
# 65 LEU HA 65 LEU HG 3.50 (# 1011:20 Unique 2.60, 3.35 A)
&rst
ixpk= 1011, nxpk= 20, iat= 982, 987, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:1012 65 LEU HG 2.80 (# 1012:20 Single Ambig)
&rst
ixpk= 1012, nxpk= 20, iat= -1, 987, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
igr1= 989, 990, 991, 993, 994, 995,1048,1049,1050,1052,
1053,1054, 206, 207, 208,
&end
#
# 65 LEU MDX 65 LEU HG 2.80 (# 1013:20 Unique 2.37, 2.66 A)
&rst
ixpk= 1013, nxpk= 20, iat= -1, 987, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 989, 990, 991, 993, 994, 995,
&end
#
# 13 LEU MDY 13 LEU HG 3.50 (# 1014:20 Unique 2.38, 2.66 A)
&rst
ixpk= 1014, nxpk= 20, iat= -1, 181, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 183, 184, 185, 187, 188, 189,
&end
#
# 13 LEU HN 13 LEU HG 4.50 (# 1016:20 Unique 2.56, 3.09 A)
&rst
ixpk= 1016, nxpk= 20, iat= 174, 181, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 13 LEU MDX 13 LEU HG 3.50 (# 1017:20 Unique 2.38, 2.66 A)
&rst
ixpk= 1017, nxpk= 20, iat= -1, 181, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 183, 184, 185, 187, 188, 189,
&end
#
# 0 AMB 20-2:1019 120 LEU HG 4.50 (# 1019:20 Single Ambig)
&rst
ixpk= 1019, nxpk= 20, iat= -1,1852, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1800,1847,
&end
#
# 120 LEU MDY 120 LEU HG 2.80 (# 1020:20 Unique 2.38, 2.65 A)
&rst
ixpk= 1020, nxpk= 20, iat= -1,1852, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1854,1855,1856,1858,1859,1860,
&end
#
# 120 LEU HN 120 LEU HG 4.50 (# 1021:20 Unique 2.05, 2.25 A)
&rst
ixpk= 1021, nxpk= 20, iat=1845,1852, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 116 PHE HE 120 LEU MDY 4.50 (# 1022:20 Unique 2.31, 4.51 A)
&rst
ixpk= 1022, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1788,1792,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 120 LEU HN 120 LEU MDY 4.50 (# 1023:20 Unique 3.32, 4.30 A)
&rst
ixpk= 1023, nxpk= 20, iat=1845, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 0 AMB 20-2:1024 120 LEU MDY 2.80 (# 1024:20 Single Ambig)
&rst
ixpk= 1024, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1800,1456,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 120 LEU HB- 120 LEU MDY 3.50 (# 1025:20 Unique 2.40, 3.32 A)
&rst
ixpk= 1025, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1849,1850,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 0 AMB 20-2:1026 120 LEU MDY 2.80 (# 1026:20 Single Ambig)
&rst
ixpk= 1026, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=1458,1459,1460,1852,1804,1805,1806,1808,1809,1810,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 117 VAL MGX 120 LEU MDY 3.50 (# 1027:20 Unique 2.62, 6.67 A)
&rst
ixpk= 1027, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1804,1805,1806,1808,1809,1810,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 0 AMB 20-2:1028 120 LEU MDY 2.80 (# 1028:20 Single Ambig)
&rst
ixpk= 1028, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=1849,1850, 531, 532, 533,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 26 LEU MDX 120 LEU MDY 3.50 (# 1029:20 Unique 2.57, 6.14 A)
&rst
ixpk= 1029, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 412, 413, 414, 416, 417, 418,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 120 LEU HB- 26 LEU MDX 5.50 (# 1031:20 Unique 2.77, 4.99 A)
&rst
ixpk= 1031, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1849,1850,
igr2= 412, 413, 414, 416, 417, 418,
&end
#
# 0 AMB 20-2:1033 75 ARG HG- 2.80 (# 1033:20 Single Ambig)
&rst
ixpk= 1033, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1119,1120, 77, 78,
igr2=1122,1123,
&end
#
# 104 MET HG+ 36 LEU MDY 5.50 (# 1034:20 Unique 2.26, 4.42 A)
&rst
ixpk= 1034, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1587,1588,
igr2= 570, 571, 572, 574, 575, 576,
&end
#
# 0 AMB 20-2:1035 65 LEU MDY 3.50 (# 1035:20 Single Ambig)
&rst
ixpk= 1035, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 430, 439,1102,1111,
igr2= 989, 990, 991, 993, 994, 995,
&end
#
# 74 TYR HE 65 LEU MDY 4.50 (# 1036:20 Unique 2.46, 5.47 A)
&rst
ixpk= 1036, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1104,1109,
igr2= 989, 990, 991, 993, 994, 995,
&end
#
# 65 LEU HB- 65 LEU MDY 2.80 (# 1037:20 Unique 2.40, 3.40 A)
&rst
ixpk= 1037, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 984, 985,
igr2= 989, 990, 991, 993, 994, 995,
&end
#
# 103 LYS HN 103 LYS HG- 3.50 (# 1038:20 Unique 2.70, 3.55 A)
&rst
ixpk= 1038, nxpk= 20, iat=1558, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1565,1566,
&end
#
# 103 LYS HA 103 LYS HG- 4.50 (# 1039:20 Unique 2.36, 2.72 A)
&rst
ixpk= 1039, nxpk= 20, iat=1560, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1565,1566,
&end
#
# 103 LYS HE+ 103 LYS HG- 2.80 (# 1040:20 Unique 2.12, 3.02 A)
&rst
ixpk= 1040, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1571,1572,
igr2=1565,1566,
&end
#
# 61 LYS HE+ 61 LYS HG+ 3.50 (# 1041:20 Unique 2.36, 3.25 A)
&rst
ixpk= 1041, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 908, 909,
igr2= 902, 903,
&end
#
# 103 LYS HA 103 LYS HG+ 3.50 (# 1042:20 Unique 2.36, 2.72 A)
&rst
ixpk= 1042, nxpk= 20, iat=1560, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1565,1566,
&end
#
# 59 GLU HA 103 LYS HG+ 4.50 (# 1043:20 Unique 2.34, 3.33 A)
&rst
ixpk= 1043, nxpk= 20, iat= 866, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1565,1566,
&end
#
# 103 LYS HE+ 103 LYS HG+ 3.50 (# 1044:20 Unique 2.12, 3.02 A)
&rst
ixpk= 1044, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1571,1572,
igr2=1565,1566,
&end
#
# 61 LYS HA 61 LYS HG- 2.80 (# 1045:20 Unique 2.35, 2.77 A)
&rst
ixpk= 1045, nxpk= 20, iat= 897, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 902, 903,
&end
#
# 61 LYS HE+ 61 LYS HG- 3.50 (# 1046:20 Unique 2.36, 3.25 A)
&rst
ixpk= 1046, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 908, 909,
igr2= 902, 903,
&end
#
# 80 LEU HG 80 LEU MDX 2.80 (# 1047:20 Unique 2.37, 2.66 A)
&rst
ixpk= 1047, nxpk= 20, iat=1201, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 84 TYR HE 80 LEU MDX 3.50 (# 1048:20 Unique 2.19, 5.49 A)
&rst
ixpk= 1048, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1267,1272,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 84 TYR HH 80 LEU MDX 3.50 (# 1049:20 Unique 3.16, 4.95 A)
&rst
ixpk= 1049, nxpk= 20, iat=1270, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 105 LYS HA 105 LYS HG+ 4.50 (# 1050:20 Unique 2.43, 3.20 A)
&rst
ixpk= 1050, nxpk= 20, iat=1599, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1604,1605,
&end
#
# 105 LYS HE+ 105 LYS HG- 4.50 (# 1051:20 Unique 2.42, 3.00 A)
&rst
ixpk= 1051, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1610,1611,
igr2=1604,1605,
&end
#
# 105 LYS HA 105 LYS HG- 4.50 (# 1052:20 Unique 2.43, 3.20 A)
&rst
ixpk= 1052, nxpk= 20, iat=1599, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1604,1605,
&end
#
# 0 AMB 20-2:1053 105 LYS HG- 2.80 (# 1053:20 Single Ambig)
&rst
ixpk= 1053, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1607,1608,1584,1585,
igr2=1604,1605,
&end
#
# 0 AMB 20-2:1054 54 LEU MDY 2.80 (# 1054:20 Single Ambig)
&rst
ixpk= 1054, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 803, 804, 806,
igr2= 808, 809, 810, 812, 813, 814,
&end
#
# 0 AMB 20-2:1059 19 LEU MDX 2.80 (# 1059:20 Single Ambig)
&rst
ixpk= 1059, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 297, 294, 295,
igr2= 299, 300, 301, 303, 304, 305,
&end
#
# 19 LEU HB- 19 LEU MDX 2.80 (# 1060:20 Unique 2.39, 3.35 A)
&rst
ixpk= 1060, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 294, 295,
igr2= 299, 300, 301, 303, 304, 305,
&end
#
# 0 AMB 20-2:1062 65 LEU MDX 3.50 (# 1062:20 Single Ambig)
&rst
ixpk= 1062, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 430, 439,1102,1111,
igr2= 989, 990, 991, 993, 994, 995,
&end
#
# 74 TYR HE 65 LEU MDX 3.50 (# 1063:20 Unique 2.46, 5.47 A)
&rst
ixpk= 1063, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1104,1109,
igr2= 989, 990, 991, 993, 994, 995,
&end
#
# 65 LEU HA 65 LEU MDX 2.80 (# 1064:20 Unique 2.21, 3.82 A)
&rst
ixpk= 1064, nxpk= 20, iat= 982, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 989, 990, 991, 993, 994, 995,
&end
#
# 65 LEU HB- 65 LEU MDX 3.50 (# 1065:20 Unique 2.40, 3.40 A)
&rst
ixpk= 1065, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 984, 985,
igr2= 989, 990, 991, 993, 994, 995,
&end
#
# 0 AMB 20-2:1066 65 LEU MDX 5.50 (# 1066:20 Single Ambig)
&rst
ixpk= 1066, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 109, 110, 203, 204,
igr2= 989, 990, 991, 993, 994, 995,
&end
#
# 0 AMB 20-2:1067 65 LEU MDX 2.80 (# 1067:20 Single Ambig)
&rst
ixpk= 1067, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 987, 984, 985,
igr2= 989, 990, 991, 993, 994, 995,
&end
#
# 33 VAL MGX 65 LEU MDX 2.80 (# 1068:20 Unique 2.23, 5.32 A)
&rst
ixpk= 1068, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 515, 516, 517, 519, 520, 521,
igr2= 989, 990, 991, 993, 994, 995,
&end
#
# 9 LYS HN 9 LYS HG+ 3.50 (# 1073:20 Unique 2.42, 3.68 A)
&rst
ixpk= 1073, nxpk= 20, iat= 119, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 126, 127,
&end
#
# 9 LYS HA 0 AMB 20-1:1074 3.50 (# 1074:20 Single Ambig)
&rst
ixpk= 1074, nxpk= 20, iat= 121, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 126, 127, 126, 127,
&end
#
# 9 LYS HN 0 AMB 20-1:1075 4.50 (# 1075:20 Single Ambig)
&rst
ixpk= 1075, nxpk= 20, iat= 119, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 126, 127, 126, 127,
&end
#
# 0 AMB 20-2:1076 0 AMB 20-1:1076 3.50 (# 1076:20 Double Ambig)
&rst
ixpk= 1076, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 132, 133, 132, 133,
igr2= 126, 127, 126, 127,
&end
#
# 101 GLY HN 100 VAL MGX 3.50 (# 1078:20 Unique 2.56, 4.07 A)
&rst
ixpk= 1078, nxpk= 20, iat=1534, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1524,1525,1526,1528,1529,1530,
&end
#
# 0 AMB 20-2:1079 100 VAL MGX 2.80 (# 1079:20 Single Ambig)
&rst
ixpk= 1079, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1466,1536,1537,
igr2=1524,1525,1526,1528,1529,1530,
&end
#
# 100 VAL HA 100 VAL MGX 2.80 (# 1080:20 Unique 2.33, 3.15 A)
&rst
ixpk= 1080, nxpk= 20, iat=1520, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1524,1525,1526,1528,1529,1530,
&end
#
# 100 VAL HB 100 VAL MGX 2.80 (# 1082:20 Unique 2.39, 2.67 A)
&rst
ixpk= 1082, nxpk= 20, iat=1522, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1524,1525,1526,1528,1529,1530,
&end
#
# 62 ARG HB- 100 VAL MGX 3.50 (# 1083:20 Unique 2.20, 4.02 A)
&rst
ixpk= 1083, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 921, 922,
igr2=1524,1525,1526,1528,1529,1530,
&end
#
# 0 AMB 20-2:1085 100 VAL MGX 3.50 (# 1085:20 Single Ambig)
&rst
ixpk= 1085, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.80, r4= 7.55,
igr1= 538, 539, 540, 885, 886, 887, 889, 890, 891,
igr2=1524,1525,1526,1528,1529,1530,
&end
#
# 0 AMB 20-2:1087 19 LEU MDY 2.80 (# 1087:20 Single Ambig)
&rst
ixpk= 1087, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 297, 294, 295,
igr2= 299, 300, 301, 303, 304, 305,
&end
#
# 26 LEU HN 117 VAL MGX 3.50 (# 1088:20 Unique 2.98, 4.80 A)
&rst
ixpk= 1088, nxpk= 20, iat= 403, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1804,1805,1806,1808,1809,1810,
&end
#
# 25 ALA HA 117 VAL MGX 3.50 (# 1089:20 Unique 2.24, 4.15 A)
&rst
ixpk= 1089, nxpk= 20, iat= 395, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1804,1805,1806,1808,1809,1810,
&end
#
# 117 VAL HB 117 VAL MGX 2.80 (# 1091:20 Unique 2.38, 2.64 A)
&rst
ixpk= 1091, nxpk= 20, iat=1802, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1804,1805,1806,1808,1809,1810,
&end
#
# 26 LEU HB- 117 VAL MGX 4.50 (# 1092:20 Unique 2.56, 5.10 A)
&rst
ixpk= 1092, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 407, 408,
igr2=1804,1805,1806,1808,1809,1810,
&end
#
# 120 LEU MDY 117 VAL MGX 4.50 (# 1093:20 Unique 2.62, 6.67 A)
&rst
ixpk= 1093, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1854,1855,1856,1858,1859,1860,
igr2=1804,1805,1806,1808,1809,1810,
&end
#
# 116 PHE HD 117 VAL MGX 2.80 (# 1094:20 Unique 2.24, 5.64 A)
&rst
ixpk= 1094, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1786,1794,
igr2=1804,1805,1806,1808,1809,1810,
&end
#
# 0 AMB 20-2:1095 117 VAL MGX 2.80 (# 1095:20 Single Ambig)
&rst
ixpk= 1095, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1798,1788,1792,
igr2=1804,1805,1806,1808,1809,1810,
&end
#
# 117 VAL HA 117 VAL MGX 2.80 (# 1096:20 Unique 2.35, 3.50 A)
&rst
ixpk= 1096, nxpk= 20, iat=1800, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1804,1805,1806,1808,1809,1810,
&end
#
# 114 GLU HA 117 VAL MGX 5.50 (# 1097:20 Unique 2.11, 4.08 A)
&rst
ixpk= 1097, nxpk= 20, iat=1748, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1804,1805,1806,1808,1809,1810,
&end
#
# 26 LEU MDX 117 VAL MGX 4.50 (# 1098:20 Unique 3.80, 7.06 A)
&rst
ixpk= 1098, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 412, 413, 414, 416, 417, 418,
igr2=1804,1805,1806,1808,1809,1810,
&end
#
# 97 LYS HB+ 100 VAL MGX 5.50 (# 1099:20 Preassigned 4.28, 6.86 A)
&rst
ixpk= 1099, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1468,1469,
igr2=1524,1525,1526,1528,1529,1530,
&end
#
# 62 ARG HB+ 100 VAL MGX 3.50 (# 1100:20 Unique 2.20, 4.02 A)
&rst
ixpk= 1100, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 921, 922,
igr2=1524,1525,1526,1528,1529,1530,
&end
#
# 19 LEU HB- 19 LEU MDY 2.80 (# 1101:20 Unique 2.39, 3.35 A)
&rst
ixpk= 1101, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 294, 295,
igr2= 299, 300, 301, 303, 304, 305,
&end
#
# 104 MET HG- 36 LEU MDX 5.50 (# 1103:20 Unique 2.26, 4.42 A)
&rst
ixpk= 1103, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1587,1588,
igr2= 570, 571, 572, 574, 575, 576,
&end
#
# 36 LEU HA 36 LEU MDX 2.80 (# 1104:20 Unique 2.15, 3.81 A)
&rst
ixpk= 1104, nxpk= 20, iat= 563, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 570, 571, 572, 574, 575, 576,
&end
#
# 104 MET ME 36 LEU MDX 5.50 (# 1105:20 Unique 2.70, 5.51 A)
&rst
ixpk= 1105, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1591,1592,1593,
igr2= 570, 571, 572, 574, 575, 576,
&end
#
# 36 LEU HB- 36 LEU MDX 5.50 (# 1106:20 Unique 2.39, 3.37 A)
&rst
ixpk= 1106, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 565, 566,
igr2= 570, 571, 572, 574, 575, 576,
&end
#
# 104 MET HB+ 36 LEU MDX 3.50 (# 1107:20 Unique 2.30, 4.45 A)
&rst
ixpk= 1107, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1584,1585,
igr2= 570, 571, 572, 574, 575, 576,
&end
#
# 58 ALA MB 36 LEU MDX 2.80 (# 1108:20 Unique 2.31, 4.26 A)
&rst
ixpk= 1108, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 858, 859, 860,
igr2= 570, 571, 572, 574, 575, 576,
&end
#
# 0 AMB 20-2:1109 36 LEU MDX 3.50 (# 1109:20 Single Ambig)
&rst
ixpk= 1109, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1580, 879, 854,
igr2= 570, 571, 572, 574, 575, 576,
&end
#
# 37 ALA HN 36 LEU MDX 3.50 (# 1110:20 Unique 2.33, 4.67 A)
&rst
ixpk= 1110, nxpk= 20, iat= 580, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 570, 571, 572, 574, 575, 576,
&end
#
# 113 CYS HA 36 LEU MDX 5.50 (# 1111:20 Unique 2.13, 4.51 A)
&rst
ixpk= 1111, nxpk= 20, iat=1737, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 570, 571, 572, 574, 575, 576,
&end
#
# 60 VAL HA 36 LEU MDX 4.50 (# 1112:20 Preassigned 2.36, 4.86 A)
&rst
ixpk= 1112, nxpk= 20, iat= 881, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 570, 571, 572, 574, 575, 576,
&end
#
# 104 MET HG+ 36 LEU MDX 4.50 (# 1113:20 Unique 2.26, 4.42 A)
&rst
ixpk= 1113, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1587,1588,
igr2= 570, 571, 572, 574, 575, 576,
&end
#
# 124 LYS HD- 124 LYS HG- 2.80 (# 1114:20 Unique 2.25, 2.72 A)
&rst
ixpk= 1114, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1926,1927,
igr2=1923,1924,
&end
#
# 124 LYS HB+ 124 LYS HG+ 5.50 (# 1116:20 Unique 2.28, 2.62 A)
&rst
ixpk= 1116, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1920,1921,
igr2=1923,1924,
&end
#
# 124 LYS HB+ 124 LYS HG- 3.50 (# 1117:20 Unique 2.28, 2.62 A)
&rst
ixpk= 1117, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1920,1921,
igr2=1923,1924,
&end
#
# 117 VAL HB 13 LEU MDX 2.80 (# 1120:20 Unique 2.19, 4.05 A)
&rst
ixpk= 1120, nxpk= 20, iat=1802, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 183, 184, 185, 187, 188, 189,
&end
#
# 13 LEU HG 13 LEU MDX 3.50 (# 1121:20 Unique 2.38, 2.66 A)
&rst
ixpk= 1121, nxpk= 20, iat= 181, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 183, 184, 185, 187, 188, 189,
&end
#
# 0 AMB 20-2:1123 54 LEU MDX 2.80 (# 1123:20 Single Ambig)
&rst
ixpk= 1123, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 803, 804, 806,
igr2= 808, 809, 810, 812, 813, 814,
&end
#
# 27 TYR HA 33 VAL MGX 2.80 (# 1126:20 Unique 2.12, 4.32 A)
&rst
ixpk= 1126, nxpk= 20, iat= 424, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 515, 516, 517, 519, 520, 521,
&end
#
# 14 ILE HG1- 33 VAL MGX 4.50 (# 1127:20 Unique 2.57, 6.50 A)
&rst
ixpk= 1127, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 203, 204,
igr2= 515, 516, 517, 519, 520, 521,
&end
#
# 33 VAL HB 33 VAL MGX 2.80 (# 1128:20 Unique 2.37, 2.64 A)
&rst
ixpk= 1128, nxpk= 20, iat= 513, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 515, 516, 517, 519, 520, 521,
&end
#
# 0 AMB 20-2:1130 33 VAL MGX 2.80 (# 1130:20 Single Ambig)
&rst
ixpk= 1130, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 984, 985, 987,
igr2= 515, 516, 517, 519, 520, 521,
&end
#
# 80 LEU HA 80 LEU MDY 2.80 (# 1137:20 Unique 2.31, 3.86 A)
&rst
ixpk= 1137, nxpk= 20, iat=1196, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 80 LEU HG 80 LEU MDY 2.80 (# 1138:20 Unique 2.37, 2.66 A)
&rst
ixpk= 1138, nxpk= 20, iat=1201, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 0 AMB 20-2:1144 0 AMB 20-1:1144 2.80 (# 1144:20 Double Ambig)
&rst
ixpk= 1144, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.85, r4= 5.60,
igr1=1349, 548, 549,
igr2=1353,1354,1355,1357,1358,1359, 397, 398, 399,
&end
#
# 25 ALA HA 25 ALA MB 2.80 (# 1145:20 Unique 2.39, 2.66 A)
&rst
ixpk= 1145, nxpk= 20, iat= 395, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 397, 398, 399,
&end
#
# 0 AMB 20-2:1146 25 ALA MB 4.50 (# 1146:20 Single Ambig)
&rst
ixpk= 1146, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.75, r4= 9.50,
igr1= 515, 516, 517, 519, 520, 521,1032,1033,1034,1036,
1037,1038,1032,1033,1034,1036,1037,1038,
igr2= 397, 398, 399,
&end
#
# 84 TYR HE 80 LEU MDY 3.50 (# 1149:20 Unique 2.19, 5.49 A)
&rst
ixpk= 1149, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1267,1272,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 0 AMB 20-2:1151 68 VAL MGY 2.80 (# 1151:20 Single Ambig)
&rst
ixpk= 1151, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 945, 946, 948, 949,
igr2=1032,1033,1034,1036,1037,1038,
&end
#
# 68 VAL HN 68 VAL MGY 2.80 (# 1152:20 Unique 2.24, 3.92 A)
&rst
ixpk= 1152, nxpk= 20, iat=1026, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1032,1033,1034,1036,1037,1038,
&end
#
# 68 VAL HA 68 VAL MGY 2.80 (# 1153:20 Unique 2.34, 3.15 A)
&rst
ixpk= 1153, nxpk= 20, iat=1028, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1032,1033,1034,1036,1037,1038,
&end
#
# 68 VAL HB 68 VAL MGY 2.80 (# 1154:20 Unique 2.41, 2.67 A)
&rst
ixpk= 1154, nxpk= 20, iat=1030, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1032,1033,1034,1036,1037,1038,
&end
#
# 118 THR HN 118 THR MG2 4.50 (# 1155:20 Unique 2.38, 3.67 A)
&rst
ixpk= 1155, nxpk= 20, iat=1814, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1820,1821,1822,
&end
#
# 118 THR HA 118 THR MG2 2.80 (# 1156:20 Unique 2.38, 3.11 A)
&rst
ixpk= 1156, nxpk= 20, iat=1816, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1820,1821,1822,
&end
#
# 0 AMB 20-2:1159 58 ALA MB 2.80 (# 1159:20 Single Ambig)
&rst
ixpk= 1159, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 854,1580,
igr2= 858, 859, 860,
&end
#
# 58 ALA HA 58 ALA MB 2.80 (# 1161:20 Unique 2.43, 2.67 A)
&rst
ixpk= 1161, nxpk= 20, iat= 856, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 858, 859, 860,
&end
#
# 11 GLY HA+ 89 VAL MGX 3.50 (# 1162:20 Unique 2.15, 4.42 A)
&rst
ixpk= 1162, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 157, 158,
igr2=1353,1354,1355,1357,1358,1359,
&end
#
# 0 AMB 20-2:1164 0 AMB 20-1:1164 4.50 (# 1164:20 Double Ambig)
&rst
ixpk= 1164, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.75, r4= 9.50,
igr1= 148, 149, 565, 566, 608, 609,
igr2=1353,1354,1355,1357,1358,1359, 858, 859, 860,
&end
#
# 69 VAL HA 69 VAL MGY 3.50 (# 1167:20 Unique 2.29, 3.49 A)
&rst
ixpk= 1167, nxpk= 20, iat=1044, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1048,1049,1050,1052,1053,1054,
&end
#
# 69 VAL HN 69 VAL MGY 3.50 (# 1168:20 Unique 2.20, 3.47 A)
&rst
ixpk= 1168, nxpk= 20, iat=1042, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1048,1049,1050,1052,1053,1054,
&end
#
# 70 GLY HN 69 VAL MGY 4.50 (# 1169:20 Unique 2.48, 4.32 A)
&rst
ixpk= 1169, nxpk= 20, iat=1058, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1048,1049,1050,1052,1053,1054,
&end
#
# 69 VAL HB 69 VAL MGY 2.80 (# 1172:20 Unique 2.36, 2.64 A)
&rst
ixpk= 1172, nxpk= 20, iat=1046, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1048,1049,1050,1052,1053,1054,
&end
#
# 0 AMB 20-2:1175 0 AMB 20-1:1175 2.80 (# 1175:20 Double Ambig)
&rst
ixpk= 1175, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1=1001,1847,1447,1448,
igr2=1048,1049,1050,1052,1053,1054,1854,1855,1856,1858,
1859,1860,
&end
#
# 99 MET HG- 120 LEU MDX 3.50 (# 1176:20 Unique 2.17, 4.51 A)
&rst
ixpk= 1176, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1508,1509,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 99 MET ME 120 LEU MDX 4.50 (# 1177:20 Unique 3.17, 5.84 A)
&rst
ixpk= 1177, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1512,1513,1514,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 120 LEU HG 120 LEU MDX 2.80 (# 1178:20 Preassigned 2.38, 2.65 A)
&rst
ixpk= 1178, nxpk= 20, iat=1852, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 96 ALA HN 120 LEU MDX 4.50 (# 1180:20 Unique 3.20, 4.64 A)
&rst
ixpk= 1180, nxpk= 20, iat=1454, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 0 AMB 20-2:1181 120 LEU MDX 7.00 (# 1181:20 Single Ambig)
&rst
ixpk= 1181, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.33, r4=12.08,
igr1=1505,1506,1802,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 0 AMB 20-2:1182 120 LEU MDX 3.50 (# 1182:20 Single Ambig)
&rst
ixpk= 1182, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1849,1850, 531, 532, 533,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 104 MET HG+ 60 VAL MGY 3.50 (# 1184:20 Unique 2.49, 5.95 A)
&rst
ixpk= 1184, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1587,1588,
igr2= 885, 886, 887, 889, 890, 891,
&end
#
# 69 VAL HN 68 VAL MGY 5.50 (# 1185:20 Unique 3.33, 4.62 A)
&rst
ixpk= 1185, nxpk= 20, iat=1042, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1032,1033,1034,1036,1037,1038,
&end
#
# 0 AMB 20-2:1190 118 THR MG2 5.50 (# 1190:20 Single Ambig)
&rst
ixpk= 1190, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1828,1183,
igr2=1820,1821,1822,
&end
#
# 118 THR HB 118 THR MG2 2.80 (# 1191:20 Unique 2.42, 2.66 A)
&rst
ixpk= 1191, nxpk= 20, iat=1818, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1820,1821,1822,
&end
#
# 59 GLU HN 58 ALA MB 2.80 (# 1192:20 Unique 2.55, 3.55 A)
&rst
ixpk= 1192, nxpk= 20, iat= 864, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 858, 859, 860,
&end
#
# 92 ILE HN 91 VAL MGX 4.50 (# 1194:20 Unique 3.73, 4.77 A)
&rst
ixpk= 1194, nxpk= 20, iat=1394, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1384,1385,1386,1388,1389,1390,
&end
#
# 72 CYS HN 69 VAL MGY 4.50 (# 1196:20 Unique 3.36, 5.55 A)
&rst
ixpk= 1196, nxpk= 20, iat=1072, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1048,1049,1050,1052,1053,1054,
&end
#
# 74 TYR HD 69 VAL MGY 2.80 (# 1197:20 Unique 2.19, 4.93 A)
&rst
ixpk= 1197, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1102,1111,
igr2=1048,1049,1050,1052,1053,1054,
&end
#
# 100 VAL HN 60 VAL MGY 4.50 (# 1198:20 Unique 3.07, 4.72 A)
&rst
ixpk= 1198, nxpk= 20, iat=1518, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 885, 886, 887, 889, 890, 891,
&end
#
# 61 LYS HN 60 VAL MGY 4.50 (# 1199:20 Unique 2.88, 4.31 A)
&rst
ixpk= 1199, nxpk= 20, iat= 895, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 885, 886, 887, 889, 890, 891,
&end
#
# 60 VAL HN 60 VAL MGY 2.80 (# 1200:20 Unique 2.30, 3.95 A)
&rst
ixpk= 1200, nxpk= 20, iat= 879, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 885, 886, 887, 889, 890, 891,
&end
#
# 0 AMB 20-2:1201 60 VAL MGY 4.50 (# 1201:20 Single Ambig)
&rst
ixpk= 1201, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1541, 864,
igr2= 885, 886, 887, 889, 890, 891,
&end
#
# 60 VAL HA 60 VAL MGY 3.50 (# 1203:20 Unique 2.48, 3.15 A)
&rst
ixpk= 1203, nxpk= 20, iat= 881, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 885, 886, 887, 889, 890, 891,
&end
#
# 0 AMB 20-2:1204 60 VAL MGY 2.80 (# 1204:20 Single Ambig)
&rst
ixpk= 1204, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=1505,1506, 883,1587,1588,
igr2= 885, 886, 887, 889, 890, 891,
&end
#
# 99 MET ME 60 VAL MGY 2.80 (# 1205:20 Preassigned 2.62, 5.50 A)
&rst
ixpk= 1205, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1512,1513,1514,
igr2= 885, 886, 887, 889, 890, 891,
&end
#
# 104 MET ME 60 VAL MGY 3.50 (# 1206:20 Unique 2.40, 5.23 A)
&rst
ixpk= 1206, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1591,1592,1593,
igr2= 885, 886, 887, 889, 890, 891,
&end
#
# 34 ILE QG2 60 VAL MGY 5.50 (# 1207:20 Unique 2.40, 4.85 A)
&rst
ixpk= 1207, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 531, 532, 533,
igr2= 885, 886, 887, 889, 890, 891,
&end
#
# 90 GLU HG+ 91 VAL MGX 3.50 (# 1209:20 Unique 2.36, 5.00 A)
&rst
ixpk= 1209, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1370,1371,
igr2=1384,1385,1386,1388,1389,1390,
&end
#
# 91 VAL HA 91 VAL MGX 2.80 (# 1211:20 Unique 2.43, 3.15 A)
&rst
ixpk= 1211, nxpk= 20, iat=1380, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1384,1385,1386,1388,1389,1390,
&end
#
# 88 PRO HD- 91 VAL MGX 3.50 (# 1212:20 Unique 4.23, 5.79 A)
&rst
ixpk= 1212, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1334,1335,
igr2=1384,1385,1386,1388,1389,1390,
&end
#
# 0 AMB 20-2:1213 91 VAL MGX 2.80 (# 1213:20 Single Ambig)
&rst
ixpk= 1213, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1337,1338,1382,
igr2=1384,1385,1386,1388,1389,1390,
&end
#
# 62 ARG HB- 100 VAL MGY 3.50 (# 1214:20 Unique 2.20, 4.02 A)
&rst
ixpk= 1214, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 921, 922,
igr2=1524,1525,1526,1528,1529,1530,
&end
#
# 61 LYS HA 100 VAL MGY 2.80 (# 1215:20 Unique 2.30, 3.85 A)
&rst
ixpk= 1215, nxpk= 20, iat= 897, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1524,1525,1526,1528,1529,1530,
&end
#
# 100 VAL HA 100 VAL MGY 2.80 (# 1216:20 Unique 2.33, 3.15 A)
&rst
ixpk= 1216, nxpk= 20, iat=1520, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1524,1525,1526,1528,1529,1530,
&end
#
# 100 VAL HB 100 VAL MGY 2.80 (# 1217:20 Unique 2.39, 2.67 A)
&rst
ixpk= 1217, nxpk= 20, iat=1522, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1524,1525,1526,1528,1529,1530,
&end
#
# 76 VAL HA 76 VAL MGX 3.50 (# 1220:20 Unique 2.36, 3.19 A)
&rst
ixpk= 1220, nxpk= 20, iat=1141, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1145,1146,1147,1149,1150,1151,
&end
#
# 8 PRO HA 76 VAL MGX 2.80 (# 1221:20 Unique 2.23, 3.82 A)
&rst
ixpk= 1221, nxpk= 20, iat= 115, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1145,1146,1147,1149,1150,1151,
&end
#
# 0 AMB 20-2:1224 76 VAL MGX 2.80 (# 1224:20 Single Ambig)
&rst
ixpk= 1224, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1143, 77, 78,
igr2=1145,1146,1147,1149,1150,1151,
&end
#
# 8 PRO HB- 76 VAL MGX 3.50 (# 1225:20 Unique 2.36, 4.53 A)
&rst
ixpk= 1225, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 112, 113,
igr2=1145,1146,1147,1149,1150,1151,
&end
#
# 69 VAL HN 69 VAL MGX 2.80 (# 1226:20 Unique 2.20, 3.47 A)
&rst
ixpk= 1226, nxpk= 20, iat=1042, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1048,1049,1050,1052,1053,1054,
&end
#
# 74 TYR HD 69 VAL MGX 3.50 (# 1227:20 Unique 2.19, 4.93 A)
&rst
ixpk= 1227, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1102,1111,
igr2=1048,1049,1050,1052,1053,1054,
&end
#
# 74 TYR HE 69 VAL MGX 3.50 (# 1228:20 Unique 2.66, 5.32 A)
&rst
ixpk= 1228, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1104,1109,
igr2=1048,1049,1050,1052,1053,1054,
&end
#
# 66 GLU HA 69 VAL MGX 4.50 (# 1229:20 Unique 2.17, 4.28 A)
&rst
ixpk= 1229, nxpk= 20, iat=1001, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1048,1049,1050,1052,1053,1054,
&end
#
# 109 VAL HA 109 VAL MGX 2.80 (# 1231:20 Unique 2.35, 3.41 A)
&rst
ixpk= 1231, nxpk= 20, iat=1672, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1676,1677,1678,1680,1681,1682,
&end
#
# 65 LEU HG 69 VAL MGX 5.50 (# 1237:20 Unique 2.87, 4.72 A)
&rst
ixpk= 1237, nxpk= 20, iat= 987, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1048,1049,1050,1052,1053,1054,
&end
#
# 69 VAL HA 69 VAL MGX 2.80 (# 1238:20 Unique 2.29, 3.49 A)
&rst
ixpk= 1238, nxpk= 20, iat=1044, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1048,1049,1050,1052,1053,1054,
&end
#
# 117 VAL HN 117 VAL MGY 2.80 (# 1240:20 Preassigned 2.22, 3.26 A)
&rst
ixpk= 1240, nxpk= 20, iat=1798, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1804,1805,1806,1808,1809,1810,
&end
#
# 24 TRP HB+ 117 VAL MGY 2.80 (# 1241:20 Unique 2.18, 3.81 A)
&rst
ixpk= 1241, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 373, 374,
igr2=1804,1805,1806,1808,1809,1810,
&end
#
# 68 VAL HB 68 VAL MGX 2.80 (# 1244:20 Unique 2.41, 2.67 A)
&rst
ixpk= 1244, nxpk= 20, iat=1030, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1032,1033,1034,1036,1037,1038,
&end
#
# 68 VAL HN 68 VAL MGX 4.50 (# 1246:20 Unique 2.24, 3.92 A)
&rst
ixpk= 1246, nxpk= 20, iat=1026, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1032,1033,1034,1036,1037,1038,
&end
#
# 68 VAL HA 68 VAL MGX 2.80 (# 1248:20 Unique 2.34, 3.15 A)
&rst
ixpk= 1248, nxpk= 20, iat=1028, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1032,1033,1034,1036,1037,1038,
&end
#
# 118 THR HN 117 VAL MGY 3.50 (# 1249:20 Unique 2.61, 4.33 A)
&rst
ixpk= 1249, nxpk= 20, iat=1814, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1804,1805,1806,1808,1809,1810,
&end
#
# 24 TRP HD1 117 VAL MGY 3.50 (# 1250:20 Unique 3.09, 5.32 A)
&rst
ixpk= 1250, nxpk= 20, iat= 377, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1804,1805,1806,1808,1809,1810,
&end
#
# 117 VAL HA 117 VAL MGY 3.50 (# 1251:20 Unique 2.35, 3.50 A)
&rst
ixpk= 1251, nxpk= 20, iat=1800, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1804,1805,1806,1808,1809,1810,
&end
#
# 114 GLU HA 117 VAL MGY 2.80 (# 1252:20 Unique 2.11, 4.08 A)
&rst
ixpk= 1252, nxpk= 20, iat=1748, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1804,1805,1806,1808,1809,1810,
&end
#
# 24 TRP HB- 117 VAL MGY 3.50 (# 1253:20 Unique 2.18, 3.81 A)
&rst
ixpk= 1253, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 373, 374,
igr2=1804,1805,1806,1808,1809,1810,
&end
#
# 117 VAL HB 117 VAL MGY 2.80 (# 1254:20 Unique 2.38, 2.64 A)
&rst
ixpk= 1254, nxpk= 20, iat=1802, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1804,1805,1806,1808,1809,1810,
&end
#
# 13 LEU MDX 117 VAL MGY 2.80 (# 1255:20 Unique 2.27, 5.52 A)
&rst
ixpk= 1255, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 183, 184, 185, 187, 188, 189,
igr2=1804,1805,1806,1808,1809,1810,
&end
#
# 76 VAL HA 76 VAL MGY 2.80 (# 1256:20 Unique 2.36, 3.19 A)
&rst
ixpk= 1256, nxpk= 20, iat=1141, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1145,1146,1147,1149,1150,1151,
&end
#
# 12 ASP HB- 76 VAL MGY 3.50 (# 1257:20 Unique 2.27, 4.14 A)
&rst
ixpk= 1257, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 166, 167,
igr2=1145,1146,1147,1149,1150,1151,
&end
#
# 12 ASP HB+ 76 VAL MGY 2.80 (# 1258:20 Unique 2.27, 4.14 A)
&rst
ixpk= 1258, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 166, 167,
igr2=1145,1146,1147,1149,1150,1151,
&end
#
# 78 ASN HD2+ 76 VAL MGY 3.50 (# 1264:20 Unique 3.15, 5.62 A)
&rst
ixpk= 1264, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1178,1179,
igr2=1145,1146,1147,1149,1150,1151,
&end
#
# 0 AMB 20-2:1265 76 VAL MGY 3.50 (# 1265:20 Single Ambig)
&rst
ixpk= 1265, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1143, 77, 78,
igr2=1145,1146,1147,1149,1150,1151,
&end
#
# 53 VAL HA 53 VAL MGY 3.50 (# 1266:20 Unique 2.39, 3.42 A)
&rst
ixpk= 1266, nxpk= 20, iat= 785, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 789, 790, 791, 793, 794, 795,
&end
#
# 49 SER HB+ 50 VAL MGY 4.50 (# 1273:20 Unique 3.71, 6.68 A)
&rst
ixpk= 1273, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 729, 730,
igr2= 742, 743, 744, 746, 747, 748,
&end
#
# 0 AMB 20-2:1275 50 VAL MGY 2.80 (# 1275:20 Single Ambig)
&rst
ixpk= 1275, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 669, 670, 740,
igr2= 742, 743, 744, 746, 747, 748,
&end
#
# 97 LYS HN 96 ALA MB 2.80 (# 1279:20 Unique 2.45, 3.32 A)
&rst
ixpk= 1279, nxpk= 20, iat=1464, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1458,1459,1460,
&end
#
# 96 ALA HN 96 ALA MB 2.80 (# 1280:20 Unique 2.26, 2.79 A)
&rst
ixpk= 1280, nxpk= 20, iat=1454, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1458,1459,1460,
&end
#
# 93 ILE HA 96 ALA MB 2.80 (# 1281:20 Unique 2.50, 3.26 A)
&rst
ixpk= 1281, nxpk= 20, iat=1415, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1458,1459,1460,
&end
#
# 0 AMB 20-2:1282 96 ALA MB 2.80 (# 1282:20 Single Ambig)
&rst
ixpk= 1282, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 538, 539, 540, 449, 450, 451,
igr2=1458,1459,1460,
&end
#
# 0 AMB 20-2:1283 96 ALA MB 2.80 (# 1283:20 Single Ambig)
&rst
ixpk= 1283, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.65, r4= 5.40,
igr1=1854,1855,1856,1858,1859,1860, 410,
igr2=1458,1459,1460,
&end
#
# 120 LEU MDY 96 ALA MB 2.80 (# 1284:20 Unique 2.23, 4.52 A)
&rst
ixpk= 1284, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1854,1855,1856,1858,1859,1860,
igr2=1458,1459,1460,
&end
#
# 45 ALA HA 45 ALA MB 2.80 (# 1285:20 Unique 2.41, 2.67 A)
&rst
ixpk= 1285, nxpk= 20, iat= 688, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 690, 691, 692,
&end
#
# 37 ALA HN 37 ALA MB 2.80 (# 1288:20 Unique 2.40, 2.93 A)
&rst
ixpk= 1288, nxpk= 20, iat= 580, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 584, 585, 586,
&end
#
# 37 ALA HA 37 ALA MB 2.80 (# 1289:20 Unique 2.42, 2.66 A)
&rst
ixpk= 1289, nxpk= 20, iat= 582, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 584, 585, 586,
&end
#
# 38 PRO HD+ 37 ALA MB 4.50 (# 1290:20 Unique 2.52, 4.27 A)
&rst
ixpk= 1290, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 591, 592,
igr2= 584, 585, 586,
&end
#
# 0 AMB 20-2:1291 37 ALA MB 4.50 (# 1291:20 Single Ambig)
&rst
ixpk= 1291, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 905, 906, 899, 900,
igr2= 584, 585, 586,
&end
#
# 33 VAL HN 33 VAL MGY 2.80 (# 1294:20 Unique 2.39, 3.59 A)
&rst
ixpk= 1294, nxpk= 20, iat= 509, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 515, 516, 517, 519, 520, 521,
&end
#
# 0 AMB 20-2:1295 33 VAL MGY 5.50 (# 1295:20 Single Ambig)
&rst
ixpk= 1295, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 525, 544,
igr2= 515, 516, 517, 519, 520, 521,
&end
#
# 63 GLU HN 33 VAL MGY 4.50 (# 1296:20 Unique 2.91, 5.05 A)
&rst
ixpk= 1296, nxpk= 20, iat= 941, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 515, 516, 517, 519, 520, 521,
&end
#
# 33 VAL HB 33 VAL MGY 2.80 (# 1297:20 Unique 2.37, 2.64 A)
&rst
ixpk= 1297, nxpk= 20, iat= 513, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 515, 516, 517, 519, 520, 521,
&end
#
# 25 ALA MB 33 VAL MGY 2.80 (# 1298:20 Unique 2.64, 4.37 A)
&rst
ixpk= 1298, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 397, 398, 399,
igr2= 515, 516, 517, 519, 520, 521,
&end
#
# 68 VAL HB 33 VAL MGY 3.50 (# 1300:20 Unique 2.56, 4.40 A)
&rst
ixpk= 1300, nxpk= 20, iat=1030, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 515, 516, 517, 519, 520, 521,
&end
#
# 72 CYS HB+ 16 ILE QG2 2.80 (# 1301:20 Unique 2.29, 3.13 A)
&rst
ixpk= 1301, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1076,1077,
igr2= 233, 234, 235,
&end
#
# 0 AMB 20-2:1302 16 ILE QG2 3.50 (# 1302:20 Single Ambig)
&rst
ixpk= 1302, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1098,1099, 356, 357,
igr2= 233, 234, 235,
&end
#
# 16 ILE HB 16 ILE QG2 2.80 (# 1303:20 Unique 2.42, 2.68 A)
&rst
ixpk= 1303, nxpk= 20, iat= 231, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 233, 234, 235,
&end
#
# 0 AMB 20-2:1304 16 ILE QG2 2.80 (# 1304:20 Single Ambig)
&rst
ixpk= 1304, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
igr1= 240, 241, 242,1048,1049,1050,1052,1053,1054,1032,
1033,1034,1036,1037,1038,
igr2= 233, 234, 235,
&end
#
# 28 ILE HB 28 ILE QG2 2.80 (# 1306:20 Unique 2.37, 2.66 A)
&rst
ixpk= 1306, nxpk= 20, iat= 447, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 449, 450, 451,
&end
#
# 34 ILE HG1+ 28 ILE QG2 2.80 (# 1307:20 Unique 2.31, 4.11 A)
&rst
ixpk= 1307, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 535, 536,
igr2= 449, 450, 451,
&end
#
# 93 ILE HG1- 28 ILE QG2 3.50 (# 1308:20 Unique 2.20, 4.22 A)
&rst
ixpk= 1308, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1423,1424,
igr2= 449, 450, 451,
&end
#
# 121 ARG HA 92 ILE QG2 2.80 (# 1312:20 Unique 2.66, 3.81 A)
&rst
ixpk= 1312, nxpk= 20, iat=1866, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1400,1401,1402,
&end
#
# 0 AMB 20-2:1313 92 ILE QG2 2.80 (# 1313:20 Single Ambig)
&rst
ixpk= 1313, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 157, 158,1396,
igr2=1400,1401,1402,
&end
#
# 92 ILE HB 92 ILE QG2 2.80 (# 1314:20 Unique 2.42, 2.68 A)
&rst
ixpk= 1314, nxpk= 20, iat=1398, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1400,1401,1402,
&end
#
# 92 ILE HG1+ 92 ILE QG2 3.50 (# 1316:20 Unique 2.50, 3.55 A)
&rst
ixpk= 1316, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1404,1405,
igr2=1400,1401,1402,
&end
#
# 0 AMB 20-2:1317 92 ILE QG2 3.50 (# 1317:20 Single Ambig)
&rst
ixpk= 1317, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
igr1=1868,1869,1458,1459,1460,
igr2=1400,1401,1402,
&end
#
# 92 ILE HG1- 92 ILE QG2 2.80 (# 1318:20 Unique 2.50, 3.55 A)
&rst
ixpk= 1318, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1404,1405,
igr2=1400,1401,1402,
&end
#
# 116 PHE HD 104 MET ME 3.50 (# 1320:20 Unique 2.25, 5.08 A)
&rst
ixpk= 1320, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1786,1794,
igr2=1591,1592,1593,
&end
#
# 0 AMB 20-2:1321 104 MET ME 3.50 (# 1321:20 Single Ambig)
&rst
ixpk= 1321, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1788,1792,1730,1731,
igr2=1591,1592,1593,
&end
#
# 60 VAL MGY 104 MET ME 2.80 (# 1322:20 Unique 2.40, 5.23 A)
&rst
ixpk= 1322, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 885, 886, 887, 889, 890, 891,
igr2=1591,1592,1593,
&end
#
# 93 ILE HA 93 ILE QG2 2.80 (# 1323:20 Unique 2.81, 3.41 A)
&rst
ixpk= 1323, nxpk= 20, iat=1415, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1419,1420,1421,
&end
#
# 93 ILE HB 93 ILE QG2 2.80 (# 1324:20 Unique 2.39, 2.64 A)
&rst
ixpk= 1324, nxpk= 20, iat=1417, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1419,1420,1421,
&end
#
# 0 AMB 20-2:1325 93 ILE QG2 2.80 (# 1325:20 Single Ambig)
&rst
ixpk= 1325, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1423,1424,1474,1475,
igr2=1419,1420,1421,
&end
#
# 35 HIS HN 34 ILE QG2 4.50 (# 1329:20 Unique 2.60, 3.41 A)
&rst
ixpk= 1329, nxpk= 20, iat= 544, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 531, 532, 533,
&end
#
# 0 AMB 20-2:1330 34 ILE QG2 2.80 (# 1330:20 Single Ambig)
&rst
ixpk= 1330, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1=1788,1792,1518,
igr2= 531, 532, 533,
&end
#
# 34 ILE HB 34 ILE QG2 2.80 (# 1331:20 Unique 2.44, 2.70 A)
&rst
ixpk= 1331, nxpk= 20, iat= 529, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 531, 532, 533,
&end
#
# 93 ILE HG1- 93 ILE QG2 2.80 (# 1332:20 Unique 2.38, 3.48 A)
&rst
ixpk= 1332, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1423,1424,
igr2=1419,1420,1421,
&end
#
# 0 AMB 20-2:1333 14 ILE QG2 4.50 (# 1333:20 Single Ambig)
&rst
ixpk= 1333, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
igr1= 397, 398, 399, 109, 110,
igr2= 199, 200, 201,
&end
#
# 15 GLU HN 14 ILE QG2 3.50 (# 1334:20 Unique 2.56, 3.38 A)
&rst
ixpk= 1334, nxpk= 20, iat= 212, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 199, 200, 201,
&end
#
# 14 ILE HA 14 ILE QG2 2.80 (# 1335:20 Unique 2.46, 3.13 A)
&rst
ixpk= 1335, nxpk= 20, iat= 195, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 199, 200, 201,
&end
#
# 74 TYR HB+ 14 ILE QG2 2.80 (# 1336:20 Unique 2.61, 3.74 A)
&rst
ixpk= 1336, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1098,1099,
igr2= 199, 200, 201,
&end
#
# 14 ILE HB 14 ILE QG2 2.80 (# 1337:20 Unique 2.44, 2.68 A)
&rst
ixpk= 1337, nxpk= 20, iat= 197, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 199, 200, 201,
&end
#
# 0 AMB 20-2:1338 14 ILE QG2 2.80 (# 1338:20 Single Ambig)
&rst
ixpk= 1338, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 237, 238, 203, 204,
igr2= 199, 200, 201,
&end
#
# 14 ILE HG1+ 14 ILE QG2 2.80 (# 1339:20 Unique 2.42, 3.58 A)
&rst
ixpk= 1339, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 203, 204,
igr2= 199, 200, 201,
&end
#
# 74 TYR HD 14 ILE QG2 2.80 (# 1340:20 Unique 2.16, 4.60 A)
&rst
ixpk= 1340, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1102,1111,
igr2= 199, 200, 201,
&end
#
# 16 ILE HN 16 ILE QD1 4.50 (# 1342:20 Unique 3.99, 4.88 A)
&rst
ixpk= 1342, nxpk= 20, iat= 227, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 240, 241, 242,
&end
#
# 69 VAL HA 16 ILE QD1 4.50 (# 1344:20 Unique 2.49, 4.14 A)
&rst
ixpk= 1344, nxpk= 20, iat=1044, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 240, 241, 242,
&end
#
# 23 HIS HB+ 16 ILE QD1 3.50 (# 1345:20 Unique 2.59, 4.90 A)
&rst
ixpk= 1345, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 356, 357,
igr2= 240, 241, 242,
&end
#
# 16 ILE HB 16 ILE QD1 2.80 (# 1346:20 Unique 2.44, 3.16 A)
&rst
ixpk= 1346, nxpk= 20, iat= 231, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 240, 241, 242,
&end
#
# 16 ILE HG1+ 16 ILE QD1 2.80 (# 1347:20 Unique 2.34, 2.65 A)
&rst
ixpk= 1347, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 237, 238,
igr2= 240, 241, 242,
&end
#
# 25 ALA MB 16 ILE QD1 2.80 (# 1348:20 Unique 2.88, 4.32 A)
&rst
ixpk= 1348, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 397, 398, 399,
igr2= 240, 241, 242,
&end
#
# 16 ILE QG2 16 ILE QD1 2.80 (# 1349:20 Unique 2.22, 3.77 A)
&rst
ixpk= 1349, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 233, 234, 235,
igr2= 240, 241, 242,
&end
#
# 121 ARG HA 92 ILE QD1 3.50 (# 1353:20 Preassigned 2.95, 4.15 A)
&rst
ixpk= 1353, nxpk= 20, iat=1866, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1407,1408,1409,
&end
#
# 89 VAL HA 92 ILE QD1 2.80 (# 1354:20 Unique 2.16, 3.12 A)
&rst
ixpk= 1354, nxpk= 20, iat=1349, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1407,1408,1409,
&end
#
# 0 AMB 20-2:1355 92 ILE QD1 4.50 (# 1355:20 Single Ambig)
&rst
ixpk= 1355, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1309,1413,
igr2=1407,1408,1409,
&end
#
# 92 ILE HN 92 ILE QD1 3.50 (# 1356:20 Unique 3.93, 4.33 A)
&rst
ixpk= 1356, nxpk= 20, iat=1394, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1407,1408,1409,
&end
#
# 11 GLY HA+ 92 ILE QD1 5.50 (# 1357:20 Unique 2.58, 4.45 A)
&rst
ixpk= 1357, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 157, 158,
igr2=1407,1408,1409,
&end
#
# 11 GLY HA- 92 ILE QD1 3.50 (# 1358:20 Unique 2.58, 4.45 A)
&rst
ixpk= 1358, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 157, 158,
igr2=1407,1408,1409,
&end
#
# 92 ILE HB 92 ILE QD1 2.80 (# 1359:20 Unique 2.38, 3.11 A)
&rst
ixpk= 1359, nxpk= 20, iat=1398, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1407,1408,1409,
&end
#
# 0 AMB 20-2:1360 92 ILE QD1 2.80 (# 1360:20 Single Ambig)
&rst
ixpk= 1360, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1313,1314,1404,1405,
igr2=1407,1408,1409,
&end
#
# 121 ARG HG+ 92 ILE QD1 3.50 (# 1361:20 Unique 2.26, 4.10 A)
&rst
ixpk= 1361, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1871,1872,
igr2=1407,1408,1409,
&end
#
# 121 ARG HG- 92 ILE QD1 4.50 (# 1362:20 Unique 2.26, 4.10 A)
&rst
ixpk= 1362, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1871,1872,
igr2=1407,1408,1409,
&end
#
# 62 ARG HA 34 ILE QD1 4.50 (# 1363:20 Unique 2.36, 5.10 A)
&rst
ixpk= 1363, nxpk= 20, iat= 919, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 538, 539, 540,
&end
#
# 97 LYS HN 34 ILE QD1 4.50 (# 1364:20 Unique 3.46, 3.82 A)
&rst
ixpk= 1364, nxpk= 20, iat=1464, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 538, 539, 540,
&end
#
# 0 AMB 20-2:1365 34 ILE QD1 4.50 (# 1365:20 Single Ambig)
&rst
ixpk= 1365, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 927, 928,1477,1478,
igr2= 538, 539, 540,
&end
#
# 100 VAL MGX 34 ILE QD1 2.80 (# 1366:20 Unique 2.21, 4.84 A)
&rst
ixpk= 1366, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1524,1525,1526,1528,1529,1530,
igr2= 538, 539, 540,
&end
#
# 34 ILE HA 34 ILE QD1 4.50 (# 1367:20 Unique 2.40, 4.49 A)
&rst
ixpk= 1367, nxpk= 20, iat= 527, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 538, 539, 540,
&end
#
# 97 LYS HA 34 ILE QD1 2.80 (# 1368:20 Unique 2.46, 3.14 A)
&rst
ixpk= 1368, nxpk= 20, iat=1466, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 538, 539, 540,
&end
#
# 100 VAL HB 34 ILE QD1 4.50 (# 1369:20 Unique 2.33, 4.66 A)
&rst
ixpk= 1369, nxpk= 20, iat=1522, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 538, 539, 540,
&end
#
# 0 AMB 20-2:1370 34 ILE QD1 4.50 (# 1370:20 Single Ambig)
&rst
ixpk= 1370, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1468,1469,1468,1469,
igr2= 538, 539, 540,
&end
#
# 0 AMB 20-2:1371 34 ILE QD1 2.80 (# 1371:20 Single Ambig)
&rst
ixpk= 1371, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 535, 536,1471,1472,
igr2= 538, 539, 540,
&end
#
# 96 ALA MB 34 ILE QD1 4.50 (# 1372:20 Unique 2.32, 3.74 A)
&rst
ixpk= 1372, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1458,1459,1460,
igr2= 538, 539, 540,
&end
#
# 97 LYS HG- 34 ILE QD1 2.80 (# 1373:20 Unique 2.75, 3.34 A)
&rst
ixpk= 1373, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1471,1472,
igr2= 538, 539, 540,
&end
#
# 0 AMB 20-2:1374 28 ILE QD1 2.80 (# 1374:20 Single Ambig)
&rst
ixpk= 1374, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 927, 928, 492, 493,1477,1478,
igr2= 456, 457, 458,
&end
#
# 32 TYR HB+ 28 ILE QD1 4.50 (# 1375:20 Unique 2.44, 3.64 A)
&rst
ixpk= 1375, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 492, 493,
igr2= 456, 457, 458,
&end
#
# 28 ILE HB 28 ILE QD1 2.80 (# 1376:20 Unique 2.44, 3.10 A)
&rst
ixpk= 1376, nxpk= 20, iat= 447, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 456, 457, 458,
&end
#
# 34 ILE HG1+ 28 ILE QD1 2.80 (# 1377:20 Unique 2.31, 4.04 A)
&rst
ixpk= 1377, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 535, 536,
igr2= 456, 457, 458,
&end
#
# 62 ARG HG- 28 ILE QD1 2.80 (# 1378:20 Unique 2.54, 4.08 A)
&rst
ixpk= 1378, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 924, 925,
igr2= 456, 457, 458,
&end
#
# 0 AMB 20-2:1379 28 ILE QD1 2.80 (# 1379:20 Single Ambig)
&rst
ixpk= 1379, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 453, 454, 924, 925,
igr2= 456, 457, 458,
&end
#
# 34 ILE HG1- 28 ILE QD1 2.80 (# 1380:20 Unique 2.31, 4.04 A)
&rst
ixpk= 1380, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 535, 536,
igr2= 456, 457, 458,
&end
#
# 11 GLY HN 93 ILE QD1 3.50 (# 1382:20 Unique 2.29, 3.61 A)
&rst
ixpk= 1382, nxpk= 20, iat= 155, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1426,1427,1428,
&end
#
# 10 PRO HA 93 ILE QD1 4.50 (# 1383:20 Unique 2.91, 3.89 A)
&rst
ixpk= 1383, nxpk= 20, iat= 151, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1426,1427,1428,
&end
#
# 93 ILE HN 93 ILE QD1 3.50 (# 1384:20 Unique 2.23, 4.15 A)
&rst
ixpk= 1384, nxpk= 20, iat=1413, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1426,1427,1428,
&end
#
# 28 ILE HA 93 ILE QD1 2.80 (# 1385:20 Unique 2.48, 3.26 A)
&rst
ixpk= 1385, nxpk= 20, iat= 445, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1426,1427,1428,
&end
#
# 90 GLU HA 93 ILE QD1 5.50 (# 1386:20 Unique 3.23, 4.60 A)
&rst
ixpk= 1386, nxpk= 20, iat=1365, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1426,1427,1428,
&end
#
# 93 ILE HA 93 ILE QD1 4.50 (# 1387:20 Unique 2.23, 4.26 A)
&rst
ixpk= 1387, nxpk= 20, iat=1415, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1426,1427,1428,
&end
#
# 28 ILE HB 93 ILE QD1 3.50 (# 1388:20 Preassigned 3.05, 4.23 A)
&rst
ixpk= 1388, nxpk= 20, iat= 447, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1426,1427,1428,
&end
#
# 0 AMB 20-2:1389 93 ILE QD1 2.80 (# 1389:20 Single Ambig)
&rst
ixpk= 1389, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 148, 149,1398,
igr2=1426,1427,1428,
&end
#
# 93 ILE HG1+ 93 ILE QD1 2.80 (# 1390:20 Unique 2.33, 2.64 A)
&rst
ixpk= 1390, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1423,1424,
igr2=1426,1427,1428,
&end
#
# 93 ILE HG1- 93 ILE QD1 2.80 (# 1391:20 Unique 2.33, 2.64 A)
&rst
ixpk= 1391, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1423,1424,
igr2=1426,1427,1428,
&end
#
# 76 VAL MGX 14 ILE QD1 3.50 (# 1393:20 Unique 2.29, 5.85 A)
&rst
ixpk= 1393, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1145,1146,1147,1149,1150,1151,
igr2= 206, 207, 208,
&end
#
# 74 TYR HE 14 ILE QD1 5.50 (# 1394:20 Unique 3.19, 6.65 A)
&rst
ixpk= 1394, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1104,1109,
igr2= 206, 207, 208,
&end
#
# 14 ILE HA 14 ILE QD1 4.50 (# 1395:20 Unique 2.38, 4.43 A)
&rst
ixpk= 1395, nxpk= 20, iat= 195, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 206, 207, 208,
&end
#
# 27 TYR HB+ 14 ILE QD1 4.50 (# 1396:20 Unique 2.19, 3.69 A)
&rst
ixpk= 1396, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 426, 427,
igr2= 206, 207, 208,
&end
#
# 27 TYR HB- 14 ILE QD1 3.50 (# 1397:20 Unique 2.19, 3.69 A)
&rst
ixpk= 1397, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 426, 427,
igr2= 206, 207, 208,
&end
#
# 0 AMB 20-2:1398 14 ILE QD1 2.80 (# 1398:20 Single Ambig)
&rst
ixpk= 1398, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 112, 113, 197,
igr2= 206, 207, 208,
&end
#
# 0 AMB 20-2:1400 14 ILE QD1 2.80 (# 1400:20 Single Ambig)
&rst
ixpk= 1400, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 109, 110, 203, 204,
igr2= 206, 207, 208,
&end
#
# 14 ILE HG1+ 14 ILE QD1 2.80 (# 1401:20 Unique 2.37, 2.66 A)
&rst
ixpk= 1401, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 203, 204,
igr2= 206, 207, 208,
&end
#
# 0 AMB 20-2:1402 14 ILE QD1 3.50 (# 1402:20 Single Ambig)
&rst
ixpk= 1402, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 430, 439,1102,1111,
igr2= 206, 207, 208,
&end
#
# 62 ARG HA 34 ILE HA 2.80 (# 1403:20 Unique 2.31, 2.38 A)
&rst
ixpk= 1403, nxpk= 20, iat= 919, 527, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 34 ILE QD1 34 ILE HA 4.50 (# 1404:20 Unique 2.40, 4.49 A)
&rst
ixpk= 1404, nxpk= 20, iat= -1, 527, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 538, 539, 540,
&end
#
# 34 ILE QG2 34 ILE HA 2.80 (# 1405:20 Unique 2.60, 3.29 A)
&rst
ixpk= 1405, nxpk= 20, iat= -1, 527, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 531, 532, 533,
&end
#
# 34 ILE HG1- 34 ILE HA 2.80 (# 1406:20 Unique 2.30, 2.60 A)
&rst
ixpk= 1406, nxpk= 20, iat= -1, 527, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 535, 536,
&end
#
# 0 AMB 20-2:1407 34 ILE HA 3.50 (# 1407:20 Single Ambig)
&rst
ixpk= 1407, nxpk= 20, iat= -1, 527, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1= 529, 924, 925, 921, 922,
&end
#
# 34 ILE HG1+ 34 ILE HA 4.50 (# 1408:20 Unique 2.30, 2.60 A)
&rst
ixpk= 1408, nxpk= 20, iat= -1, 527, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 535, 536,
&end
#
# 0 AMB 20-2:1409 34 ILE HA 2.80 (# 1409:20 Single Ambig)
&rst
ixpk= 1409, nxpk= 20, iat= -1, 527, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 544, 525,
&end
#
# 0 AMB 20-2:1410 33 VAL HA 3.50 (# 1410:20 Single Ambig)
&rst
ixpk= 1410, nxpk= 20, iat= -1, 511, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 515, 516, 517, 519, 520, 521, 449, 450, 451,
&end
#
# 33 VAL HB 33 VAL HA 2.80 (# 1411:20 Unique 2.45, 2.52 A)
&rst
ixpk= 1411, nxpk= 20, iat= 513, 511, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 33 VAL MGY 33 VAL HA 3.50 (# 1412:20 Unique 2.36, 3.51 A)
&rst
ixpk= 1412, nxpk= 20, iat= -1, 511, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 515, 516, 517, 519, 520, 521,
&end
#
# 0 AMB 20-2:1413 33 VAL HA 5.50 (# 1413:20 Single Ambig)
&rst
ixpk= 1413, nxpk= 20, iat= -1, 511, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 535, 536, 397, 398, 399,
&end
#
# 28 ILE HG1+ 33 VAL HA 5.50 (# 1414:20 Unique 2.86, 3.90 A)
&rst
ixpk= 1414, nxpk= 20, iat= -1, 511, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 453, 454,
&end
#
# 0 AMB 20-2:1416 33 VAL HA 4.50 (# 1416:20 Single Ambig)
&rst
ixpk= 1416, nxpk= 20, iat= -1, 511, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 456, 457, 458, 412, 413, 414, 416, 417, 418,
&end
#
# 27 TYR HA 33 VAL HA 3.50 (# 1417:20 Unique 2.19, 2.30 A)
&rst
ixpk= 1417, nxpk= 20, iat= 424, 511, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 28 ILE HN 33 VAL HA 3.50 (# 1418:20 Unique 2.63, 2.74 A)
&rst
ixpk= 1418, nxpk= 20, iat= 443, 511, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 34 ILE HN 33 VAL HA 2.80 (# 1419:20 Unique 2.19, 2.24 A)
&rst
ixpk= 1419, nxpk= 20, iat= 525, 511, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 33 VAL HN 33 VAL HA 4.50 (# 1420:20 Unique 2.99, 3.00 A)
&rst
ixpk= 1420, nxpk= 20, iat= 509, 511, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 120 LEU HN 119 GLN HA 5.50 (# 1421:20 Unique 3.50, 3.55 A)
&rst
ixpk= 1421, nxpk= 20, iat=1845,1830, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 24 TRP HB- 114 GLU HA 3.50 (# 1422:20 Unique 2.34, 2.99 A)
&rst
ixpk= 1422, nxpk= 20, iat= -1,1748, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 373, 374,
&end
#
# 74 TYR HB+ 74 TYR HA 2.80 (# 1423:20 Unique 2.29, 2.44 A)
&rst
ixpk= 1423, nxpk= 20, iat= -1,1096, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1098,1099,
&end
#
# 24 TRP HB- 24 TRP HA 4.50 (# 1424:20 Unique 2.46, 2.78 A)
&rst
ixpk= 1424, nxpk= 20, iat= -1, 371, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 373, 374,
&end
#
# 24 TRP HB+ 24 TRP HA 2.80 (# 1425:20 Unique 2.46, 2.78 A)
&rst
ixpk= 1425, nxpk= 20, iat= -1, 371, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 373, 374,
&end
#
# 16 ILE HA 74 TYR HA 2.80 (# 1426:20 Unique 2.26, 2.38 A)
&rst
ixpk= 1426, nxpk= 20, iat= 229,1096, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 63 GLU HN 62 ARG HA 2.80 (# 1427:20 Unique 2.28, 2.31 A)
&rst
ixpk= 1427, nxpk= 20, iat= 941, 919, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 34 ILE QD1 62 ARG HA 4.50 (# 1428:20 Preassigned 2.36, 5.10 A)
&rst
ixpk= 1428, nxpk= 20, iat= -1, 919, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 538, 539, 540,
&end
#
# 34 ILE HG1- 62 ARG HA 4.50 (# 1429:20 Unique 2.49, 3.16 A)
&rst
ixpk= 1429, nxpk= 20, iat= -1, 919, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 535, 536,
&end
#
# 62 ARG HG+ 62 ARG HA 3.50 (# 1430:20 Unique 2.52, 2.90 A)
&rst
ixpk= 1430, nxpk= 20, iat= -1, 919, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 924, 925,
&end
#
# 0 AMB 20-2:1431 62 ARG HA 2.80 (# 1431:20 Single Ambig)
&rst
ixpk= 1431, nxpk= 20, iat= -1, 919, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 921, 922, 924, 925,
&end
#
# 34 ILE HG1+ 62 ARG HA 5.50 (# 1432:20 Unique 2.49, 3.16 A)
&rst
ixpk= 1432, nxpk= 20, iat= -1, 919, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 535, 536,
&end
#
# 62 ARG HB- 62 ARG HA 3.50 (# 1433:20 Unique 2.43, 2.77 A)
&rst
ixpk= 1433, nxpk= 20, iat= -1, 919, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 921, 922,
&end
#
# 23 HIS HB- 23 HIS HA 3.50 (# 1434:20 Unique 2.43, 2.79 A)
&rst
ixpk= 1434, nxpk= 20, iat= -1, 354, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 356, 357,
&end
#
# 23 HIS HB+ 23 HIS HA 3.50 (# 1435:20 Unique 2.43, 2.79 A)
&rst
ixpk= 1435, nxpk= 20, iat= -1, 354, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 356, 357,
&end
#
# 24 TRP HN 23 HIS HA 2.80 (# 1436:20 Unique 2.19, 2.42 A)
&rst
ixpk= 1436, nxpk= 20, iat= 369, 354, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 62 ARG HN 62 ARG HA 4.50 (# 1438:20 Unique 2.99, 3.00 A)
&rst
ixpk= 1438, nxpk= 20, iat= 917, 919, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:1439 103 LYS HA 3.50 (# 1439:20 Single Ambig)
&rst
ixpk= 1439, nxpk= 20, iat= -1,1560, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1580, 879,
&end
#
# 0 AMB 20-2:1440 59 GLU HA 2.80 (# 1440:20 Single Ambig)
&rst
ixpk= 1440, nxpk= 20, iat= -1, 866, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 879,1580,
&end
#
# 14 ILE HN 13 LEU HA 2.80 (# 1441:20 Unique 2.07, 2.15 A)
&rst
ixpk= 1441, nxpk= 20, iat= 193, 176, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 20-2:1442 103 LYS HA 2.80 (# 1442:20 Single Ambig)
&rst
ixpk= 1442, nxpk= 20, iat= -1,1560, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1562,1563, 868, 869, 868, 869,
&end
#
# 59 GLU HA 103 LYS HA 2.80 (# 1444:20 Unique 2.07, 2.17 A)
&rst
ixpk= 1444, nxpk= 20, iat= 866,1560, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 26 LEU HB+ 26 LEU HA 2.80 (# 1445:20 Preassigned 2.48, 2.83 A)
&rst
ixpk= 1445, nxpk= 20, iat= -1, 405, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 407, 408,
&end
#
# 26 LEU MDX 26 LEU HA 3.50 (# 1446:20 Unique 2.22, 3.42 A)
&rst
ixpk= 1446, nxpk= 20, iat= -1, 405, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 412, 413, 414, 416, 417, 418,
&end
#
# 27 TYR HN 26 LEU HA 2.80 (# 1447:20 Unique 2.20, 2.22 A)
&rst
ixpk= 1447, nxpk= 20, iat= 422, 405, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 26 LEU HA 26 LEU HB- 4.50 (# 1448:20 Unique 2.48, 2.83 A)
&rst
ixpk= 1448, nxpk= 20, iat= 405, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 407, 408,
&end
#
# 117 VAL HB 26 LEU HB+ 5.50 (# 1449:20 Unique 2.66, 3.82 A)
&rst
ixpk= 1449, nxpk= 20, iat=1802, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 407, 408,
&end
#
# 29 GLY HN 31 GLY HA+ 5.50 (# 1450:20 Unique 5.25, 6.01 A)
&rst
ixpk= 1450, nxpk= 20, iat= 462, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 483, 484,
&end
#
# 29 GLY HN 31 GLY HA- 5.50 (# 1451:20 Unique 5.25, 6.01 A)
&rst
ixpk= 1451, nxpk= 20, iat= 462, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 483, 484,
&end
#
# 11 GLY HN 11 GLY HA- 3.50 (# 1452:20 Unique 2.32, 2.66 A)
&rst
ixpk= 1452, nxpk= 20, iat= 155, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 157, 158,
&end
#
# 31 GLY HN 31 GLY HA+ 3.50 (# 1453:20 Unique 2.33, 2.66 A)
&rst
ixpk= 1453, nxpk= 20, iat= 481, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 483, 484,
&end
#
# 72 CYS HN 72 CYS HB- 4.50 (# 1454:20 Unique 2.47, 3.11 A)
&rst
ixpk= 1454, nxpk= 20, iat=1072, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1076,1077,
&end
#
# 73 CYS HN 72 CYS HB+ 5.50 (# 1455:20 Unique 2.07, 3.26 A)
&rst
ixpk= 1455, nxpk= 20, iat=1083, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1076,1077,
&end
#
# 24 TRP HA 24 TRP HB+ 5.50 (# 1456:20 Unique 2.46, 2.78 A)
&rst
ixpk= 1456, nxpk= 20, iat= 371, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 373, 374,
&end
#
# 24 TRP HD1 24 TRP HB+ 4.50 (# 1457:20 Unique 2.53, 3.15 A)
&rst
ixpk= 1457, nxpk= 20, iat= 377, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 373, 374,
&end
#
# 25 ALA HN 24 TRP HB+ 5.50 (# 1458:20 Unique 2.42, 3.36 A)
&rst
ixpk= 1458, nxpk= 20, iat= 393, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 373, 374,
&end
#
# 78 ASN HN 78 ASN HB- 4.50 (# 1459:20 Unique 2.35, 3.01 A)
&rst
ixpk= 1459, nxpk= 20, iat=1169, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1173,1174,
&end
#
# 78 ASN HA 78 ASN HB+ 3.50 (# 1460:20 Unique 2.49, 2.78 A)
&rst
ixpk= 1460, nxpk= 20, iat=1171, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1173,1174,
&end
#
# 0 AMB 20-2:1461 116 PHE HB- 4.50 (# 1461:20 Single Ambig)
&rst
ixpk= 1461, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1798,1730,1731,
igr2=1782,1783,
&end
#
# 66 GLU HN 65 LEU HB+ 5.50 (# 1462:20 Unique 2.32, 3.16 A)
&rst
ixpk= 1462, nxpk= 20, iat= 999, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 984, 985,
&end
#
# 11 GLY HN 11 GLY HA+ 3.50 (# 1463:20 Unique 2.32, 2.66 A)
&rst
ixpk= 1463, nxpk= 20, iat= 155, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 157, 158,
&end
#
# 25 ALA HN 24 TRP HA 2.80 (# 1465:20 Unique 2.15, 2.25 A)
&rst
ixpk= 1465, nxpk= 20, iat= 393, 371, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 75 ARG HN 74 TYR HA 2.80 (# 1466:20 Unique 2.23, 2.34 A)
&rst
ixpk= 1466, nxpk= 20, iat=1115,1096, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 20-2:1467 15 GLU HA 3.50 (# 1467:20 Single Ambig)
&rst
ixpk= 1467, nxpk= 20, iat= -1, 214, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 216, 217, 237, 238,
&end
#
# 74 TYR HD 74 TYR HA 4.50 (# 1468:20 Unique 4.06, 4.24 A)
&rst
ixpk= 1468, nxpk= 20, iat= -1,1096, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1102,1111,
&end
#
# 17 PHE HD 74 TYR HA 4.50 (# 1469:20 Unique 2.33, 4.61 A)
&rst
ixpk= 1469, nxpk= 20, iat= -1,1096, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 254, 262,
&end
#
# 17 PHE HN 74 TYR HA 5.50 (# 1470:20 Unique 2.76, 3.07 A)
&rst
ixpk= 1470, nxpk= 20, iat= 246,1096, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 74 TYR HN 74 TYR HA 5.50 (# 1471:20 Unique 2.89, 2.91 A)
&rst
ixpk= 1471, nxpk= 20, iat=1094,1096, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:1472 64 ARG HA 2.80 (# 1472:20 Single Ambig)
&rst
ixpk= 1472, nxpk= 20, iat= -1, 958, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 956, 509,
&end
#
# 0 AMB 20-2:1473 118 THR HB 5.50 (# 1473:20 Single Ambig)
&rst
ixpk= 1473, nxpk= 20, iat= -1,1818, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1203,1204,1205,1207,1208,1209,1203,1204,1205,1207,
1208,1209,
&end
#
# 0 AMB 20-2:1474 118 THR HB 5.50 (# 1474:20 Single Ambig)
&rst
ixpk= 1474, nxpk= 20, iat= -1,1818, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
igr1=1804,1805,1806,1808,1809,1810,1852,
&end
#
# 119 GLN HN 118 THR HB 4.50 (# 1475:20 Unique 2.48, 3.21 A)
&rst
ixpk= 1475, nxpk= 20, iat=1828,1818, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 118 THR HN 118 THR HB 4.50 (# 1476:20 Unique 2.23, 3.24 A)
&rst
ixpk= 1476, nxpk= 20, iat=1814,1818, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 88 PRO HA 89 VAL HA 5.50 (# 1477:20 Unique 4.36, 4.40 A)
&rst
ixpk= 1477, nxpk= 20, iat=1343,1349, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 93 ILE HN 89 VAL HA 4.50 (# 1478:20 Unique 3.86, 3.98 A)
&rst
ixpk= 1478, nxpk= 20, iat=1413,1349, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 90 GLU HN 89 VAL HA 5.50 (# 1479:20 Unique 3.52, 3.56 A)
&rst
ixpk= 1479, nxpk= 20, iat=1363,1349, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 13 LEU MDX 118 THR HA 5.50 (# 1480:20 Unique 2.50, 4.33 A)
&rst
ixpk= 1480, nxpk= 20, iat= -1,1816, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 183, 184, 185, 187, 188, 189,
&end
#
# 0 AMB 20-2:1481 118 THR HA 4.50 (# 1481:20 Single Ambig)
&rst
ixpk= 1481, nxpk= 20, iat= -1,1816, r1= 0.00, r2= 1.80, r3= 6.99, r4= 7.74,
igr1=1868,1869,1804,1805,1806,1808,1809,1810, 412, 413,
414, 416, 417, 418,
&end
#
# 121 ARG HN 118 THR HA 7.00 (# 1482:20 Unique 3.39, 3.69 A)
&rst
ixpk= 1482, nxpk= 20, iat=1864,1816, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 0 AMB 20-2:1483 118 THR HA 5.50 (# 1483:20 Single Ambig)
&rst
ixpk= 1483, nxpk= 20, iat= -1,1816, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1828,1888,
&end
#
# 118 THR HN 118 THR HA 4.50 (# 1484:20 Unique 2.82, 2.89 A)
&rst
ixpk= 1484, nxpk= 20, iat=1814,1816, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 93 ILE HN 92 ILE HA 5.50 (# 1485:20 Unique 3.54, 3.59 A)
&rst
ixpk= 1485, nxpk= 20, iat=1413,1396, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 96 ALA HN 92 ILE HA 5.50 (# 1486:20 Unique 4.05, 4.13 A)
&rst
ixpk= 1486, nxpk= 20, iat=1454,1396, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 95 SER HB+ 92 ILE HA 4.50 (# 1488:20 Unique 2.49, 3.34 A)
&rst
ixpk= 1488, nxpk= 20, iat= -1,1396, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1447,1448,
&end
#
# 92 ILE HB 92 ILE HA 4.50 (# 1489:20 Unique 3.05, 3.06 A)
&rst
ixpk= 1489, nxpk= 20, iat=1398,1396, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 92 ILE HG1+ 92 ILE HA 4.50 (# 1490:20 Unique 2.63, 2.98 A)
&rst
ixpk= 1490, nxpk= 20, iat= -1,1396, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1404,1405,
&end
#
# 92 ILE HG1- 92 ILE HA 3.50 (# 1491:20 Unique 2.63, 2.98 A)
&rst
ixpk= 1491, nxpk= 20, iat= -1,1396, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1404,1405,
&end
#
# 0 AMB 20-2:1492 92 ILE HA 3.50 (# 1492:20 Single Ambig)
&rst
ixpk= 1492, nxpk= 20, iat= -1,1396, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1384,1385,1386,1388,1389,1390,1407,1408,1409,
&end
#
# 0 AMB 20-2:1493 92 ILE HA 5.50 (# 1493:20 Single Ambig)
&rst
ixpk= 1493, nxpk= 20, iat= -1,1396, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
igr1=1854,1855,1856,1858,1859,1860, 410,
&end
#
# 60 VAL MGY 100 VAL HA 5.50 (# 1494:20 Unique 2.12, 3.85 A)
&rst
ixpk= 1494, nxpk= 20, iat= -1,1520, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 885, 886, 887, 889, 890, 891,
&end
#
# 0 AMB 20-2:1495 100 VAL HA 5.50 (# 1495:20 Single Ambig)
&rst
ixpk= 1495, nxpk= 20, iat= -1,1520, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1536,1537,1503,
&end
#
# 70 GLY HN 69 VAL HA 5.50 (# 1496:20 Unique 3.34, 3.50 A)
&rst
ixpk= 1496, nxpk= 20, iat=1058,1044, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 26 LEU MDX 93 ILE HA 3.50 (# 1497:20 Unique 2.55, 5.01 A)
&rst
ixpk= 1497, nxpk= 20, iat= -1,1415, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 412, 413, 414, 416, 417, 418,
&end
#
# 93 ILE HG1+ 93 ILE HA 3.50 (# 1498:20 Unique 2.39, 2.74 A)
&rst
ixpk= 1498, nxpk= 20, iat= -1,1415, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1423,1424,
&end
#
# 68 VAL HB 68 VAL HA 3.50 (# 1499:20 Unique 3.02, 3.03 A)
&rst
ixpk= 1499, nxpk= 20, iat=1030,1028, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 68 VAL HN 68 VAL HA 2.80 (# 1500:20 Unique 2.83, 2.85 A)
&rst
ixpk= 1500, nxpk= 20, iat=1026,1028, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 94 SER HN 93 ILE HA 5.50 (# 1501:20 Unique 3.56, 3.58 A)
&rst
ixpk= 1501, nxpk= 20, iat=1432,1415, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 96 ALA HN 93 ILE HA 4.50 (# 1502:20 Unique 3.19, 3.29 A)
&rst
ixpk= 1502, nxpk= 20, iat=1454,1415, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 69 VAL HN 68 VAL HA 5.50 (# 1503:20 Unique 3.57, 3.63 A)
&rst
ixpk= 1503, nxpk= 20, iat=1042,1028, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 120 LEU MDY 117 VAL HA 2.80 (# 1504:20 Unique 2.31, 3.98 A)
&rst
ixpk= 1504, nxpk= 20, iat= -1,1800, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1854,1855,1856,1858,1859,1860,
&end
#
# 120 LEU MDX 117 VAL HA 7.00 (# 1505:20 Unique 2.31, 3.98 A)
&rst
ixpk= 1505, nxpk= 20, iat= -1,1800, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1=1854,1855,1856,1858,1859,1860,
&end
#
# 120 LEU HN 117 VAL HA 3.50 (# 1506:20 Unique 3.04, 3.28 A)
&rst
ixpk= 1506, nxpk= 20, iat=1845,1800, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:1507 117 VAL HA 3.50 (# 1507:20 Single Ambig)
&rst
ixpk= 1507, nxpk= 20, iat= -1,1800, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1798,1788,1792,
&end
#
# 12 ASP HN 10 PRO HA 5.50 (# 1508:20 Unique 3.44, 3.66 A)
&rst
ixpk= 1508, nxpk= 20, iat= 162, 151, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 27 TYR HD 10 PRO HA 3.50 (# 1509:20 Unique 2.51, 4.71 A)
&rst
ixpk= 1509, nxpk= 20, iat= -1, 151, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 430, 439,
&end
#
# 9 LYS HD- 10 PRO HA 5.50 (# 1510:20 Unique 4.46, 6.08 A)
&rst
ixpk= 1510, nxpk= 20, iat= -1, 151, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 129, 130,
&end
#
# 10 PRO HB- 10 PRO HA 3.50 (# 1511:20 Unique 2.26, 2.67 A)
&rst
ixpk= 1511, nxpk= 20, iat= -1, 151, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 148, 149,
&end
#
# 0 AMB 20-2:1512 10 PRO HA 5.50 (# 1512:20 Single Ambig)
&rst
ixpk= 1512, nxpk= 20, iat= -1, 151, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 129, 130, 123, 124,
&end
#
# 93 ILE QD1 10 PRO HA 2.80 (# 1513:20 Unique 2.91, 3.89 A)
&rst
ixpk= 1513, nxpk= 20, iat= -1, 151, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1426,1427,1428,
&end
#
# 43 PRO HD+ 43 PRO HA 3.50 (# 1515:20 Unique 3.47, 3.81 A)
&rst
ixpk= 1515, nxpk= 20, iat= -1, 675, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 666, 667,
&end
#
# 89 VAL MGX 88 PRO HA 5.50 (# 1516:20 Unique 3.94, 5.87 A)
&rst
ixpk= 1516, nxpk= 20, iat= -1,1343, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1353,1354,1355,1357,1358,1359,
&end
#
# 8 PRO HG- 8 PRO HA 7.00 (# 1517:20 Unique 2.96, 3.94 A)
&rst
ixpk= 1517, nxpk= 20, iat= -1, 115, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 109, 110,
&end
#
# 0 AMB 20-2:1518 8 PRO HA 5.50 (# 1518:20 Single Ambig)
&rst
ixpk= 1518, nxpk= 20, iat= -1, 115, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 126, 127, 126, 127,
&end
#
# 39 PRO HB- 39 PRO HA 2.80 (# 1519:20 Unique 2.28, 2.59 A)
&rst
ixpk= 1519, nxpk= 20, iat= -1, 614, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 611, 612,
&end
#
# 0 AMB 20-2:1520 8 PRO HA 5.50 (# 1520:20 Single Ambig)
&rst
ixpk= 1520, nxpk= 20, iat= -1, 115, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 206, 207, 208, 989, 990, 991, 993, 994, 995,
&end
#
# 98 GLU HG+ 95 SER HA 5.50 (# 1521:20 Unique 3.71, 4.20 A)
&rst
ixpk= 1521, nxpk= 20, iat= -1,1445, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1493,1494,
&end
#
# 98 GLU HG- 95 SER HA 5.50 (# 1522:20 Unique 3.71, 4.20 A)
&rst
ixpk= 1522, nxpk= 20, iat= -1,1445, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1493,1494,
&end
#
# 98 GLU HN 95 SER HA 5.50 (# 1523:20 Unique 3.37, 3.48 A)
&rst
ixpk= 1523, nxpk= 20, iat=1486,1445, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 116 PHE HB- 116 PHE HA 2.80 (# 1524:20 Unique 2.31, 2.69 A)
&rst
ixpk= 1524, nxpk= 20, iat= -1,1780, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1782,1783,
&end
#
# 116 PHE HB+ 116 PHE HA 3.50 (# 1525:20 Unique 2.31, 2.69 A)
&rst
ixpk= 1525, nxpk= 20, iat= -1,1780, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1782,1783,
&end
#
# 0 AMB 20-2:1526 116 PHE HA 5.50 (# 1526:20 Single Ambig)
&rst
ixpk= 1526, nxpk= 20, iat= -1,1780, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=1832,1833,1591,1592,1593,
&end
#
# 0 AMB 20-2:1527 116 PHE HA 4.50 (# 1527:20 Single Ambig)
&rst
ixpk= 1527, nxpk= 20, iat= -1,1780, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1774,1798,1730,1731,
&end
#
# 116 PHE HN 116 PHE HA 4.50 (# 1528:20 Unique 2.80, 2.84 A)
&rst
ixpk= 1528, nxpk= 20, iat=1778,1780, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 119 GLN HN 116 PHE HA 5.50 (# 1529:20 Unique 3.51, 3.92 A)
&rst
ixpk= 1529, nxpk= 20, iat=1828,1780, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 16 ILE HG1- 16 ILE HA 3.50 (# 1530:20 Unique 2.51, 2.90 A)
&rst
ixpk= 1530, nxpk= 20, iat= -1, 229, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 237, 238,
&end
#
# 16 ILE QG2 16 ILE HA 2.80 (# 1531:20 Unique 2.47, 3.10 A)
&rst
ixpk= 1531, nxpk= 20, iat= -1, 229, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 233, 234, 235,
&end
#
# 16 ILE HG1+ 16 ILE HA 7.00 (# 1532:20 Unique 2.51, 2.90 A)
&rst
ixpk= 1532, nxpk= 20, iat= -1, 229, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 237, 238,
&end
#
# 74 TYR HB+ 16 ILE HA 4.50 (# 1533:20 Unique 2.61, 2.91 A)
&rst
ixpk= 1533, nxpk= 20, iat= -1, 229, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1098,1099,
&end
#
# 74 TYR HB- 16 ILE HA 3.50 (# 1534:20 Unique 2.61, 2.91 A)
&rst
ixpk= 1534, nxpk= 20, iat= -1, 229, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1098,1099,
&end
#
# 73 CYS HN 72 CYS HA 2.80 (# 1535:20 Unique 2.25, 2.34 A)
&rst
ixpk= 1535, nxpk= 20, iat=1083,1074, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 72 CYS HN 72 CYS HA 3.50 (# 1536:20 Unique 2.89, 2.95 A)
&rst
ixpk= 1536, nxpk= 20, iat=1072,1074, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 72 CYS HB- 72 CYS HA 2.80 (# 1537:20 Unique 2.38, 2.75 A)
&rst
ixpk= 1537, nxpk= 20, iat= -1,1074, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1076,1077,
&end
#
# 72 CYS HB+ 72 CYS HA 2.80 (# 1538:20 Unique 2.38, 2.75 A)
&rst
ixpk= 1538, nxpk= 20, iat= -1,1074, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1076,1077,
&end
#
# 74 TYR HN 73 CYS HA 2.80 (# 1539:20 Unique 2.33, 2.41 A)
&rst
ixpk= 1539, nxpk= 20, iat=1094,1085, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 73 CYS HB+ 73 CYS HA 2.80 (# 1540:20 Unique 2.49, 2.78 A)
&rst
ixpk= 1540, nxpk= 20, iat= -1,1085, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1087,1088,
&end
#
# 93 ILE HG1- 90 GLU HA 5.50 (# 1544:20 Unique 3.10, 4.83 A)
&rst
ixpk= 1544, nxpk= 20, iat= -1,1365, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1423,1424,
&end
#
# 93 ILE HG1+ 90 GLU HA 5.50 (# 1545:20 Unique 3.10, 4.83 A)
&rst
ixpk= 1545, nxpk= 20, iat= -1,1365, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1423,1424,
&end
#
# 94 SER HN 90 GLU HA 5.50 (# 1546:20 Unique 3.80, 3.91 A)
&rst
ixpk= 1546, nxpk= 20, iat=1432,1365, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 93 ILE HN 90 GLU HA 4.50 (# 1547:20 Unique 3.59, 3.65 A)
&rst
ixpk= 1547, nxpk= 20, iat=1413,1365, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 93 ILE HA 90 GLU HA 7.00 (# 1548:20 Unique 5.52, 5.62 A)
&rst
ixpk= 1548, nxpk= 20, iat=1415,1365, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 35 HIS HD2 34 ILE HA 4.50 (# 1549:20 Unique 2.59, 2.73 A)
&rst
ixpk= 1549, nxpk= 20, iat= 557, 527, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 63 GLU HN 34 ILE HA 4.50 (# 1550:20 Unique 3.64, 3.76 A)
&rst
ixpk= 1550, nxpk= 20, iat= 941, 527, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 92 ILE HG1+ 121 ARG HA 4.50 (# 1551:20 Unique 2.28, 3.39 A)
&rst
ixpk= 1551, nxpk= 20, iat= -1,1866, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1404,1405,
&end
#
# 68 VAL HB 65 LEU HA 3.50 (# 1552:20 Unique 2.36, 2.55 A)
&rst
ixpk= 1552, nxpk= 20, iat=1030, 982, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 65 LEU HB- 65 LEU HA 3.50 (# 1553:20 Unique 2.42, 2.76 A)
&rst
ixpk= 1553, nxpk= 20, iat= -1, 982, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 984, 985,
&end
#
# 114 GLU HB- 114 GLU HA 3.50 (# 1554:20 Unique 2.18, 2.64 A)
&rst
ixpk= 1554, nxpk= 20, iat= -1,1748, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1750,1751,
&end
#
# 121 ARG HN 121 ARG HA 4.50 (# 1555:20 Unique 2.95, 2.98 A)
&rst
ixpk= 1555, nxpk= 20, iat=1864,1866, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 122 TYR HD 119 GLN HA 3.50 (# 1556:20 Unique 3.19, 4.73 A)
&rst
ixpk= 1556, nxpk= 20, iat= -1,1830, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1896,1905,
&end
#
# 68 VAL HN 65 LEU HA 5.50 (# 1557:20 Unique 3.38, 3.60 A)
&rst
ixpk= 1557, nxpk= 20, iat=1026, 982, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 65 LEU HN 65 LEU HA 3.50 (# 1558:20 Unique 2.74, 2.77 A)
&rst
ixpk= 1558, nxpk= 20, iat= 980, 982, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 66 GLU HN 65 LEU HA 7.00 (# 1559:20 Unique 3.57, 3.60 A)
&rst
ixpk= 1559, nxpk= 20, iat= 999, 982, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 114 GLU HN 114 GLU HA 5.50 (# 1561:20 Unique 2.84, 2.89 A)
&rst
ixpk= 1561, nxpk= 20, iat=1746,1748, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:1562 0 AMB 20-1:1562 4.50 (# 1562:20 Double Ambig)
&rst
ixpk= 1562, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 818,1761,
igr2= 820,1763,
&end
#
# 92 ILE QG2 120 LEU HA 5.50 (# 1563:20 Preassigned 4.24, 5.33 A)
&rst
ixpk= 1563, nxpk= 20, iat= -1,1847, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1400,1401,1402,
&end
#
# 120 LEU MDY 120 LEU HA 5.50 (# 1564:20 Unique 2.21, 3.84 A)
&rst
ixpk= 1564, nxpk= 20, iat= -1,1847, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1854,1855,1856,1858,1859,1860,
&end
#
# 120 LEU HN 120 LEU HA 3.50 (# 1566:20 Unique 2.86, 2.87 A)
&rst
ixpk= 1566, nxpk= 20, iat=1845,1847, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 105 LYS HG+ 105 LYS HA 4.50 (# 1567:20 Unique 2.43, 3.20 A)
&rst
ixpk= 1567, nxpk= 20, iat= -1,1599, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1604,1605,
&end
#
# 0 AMB 20-2:1568 0 AMB 20-1:1568 4.50 (# 1568:20 Double Ambig)
&rst
ixpk= 1568, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1604,1605,1750,1751,
igr2=1599,1699,
&end
#
# 105 LYS HN 105 LYS HA 5.50 (# 1569:20 Unique 2.83, 2.90 A)
&rst
ixpk= 1569, nxpk= 20, iat=1597,1599, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 58 ALA HN 105 LYS HA 7.00 (# 1570:20 Unique 3.25, 4.09 A)
&rst
ixpk= 1570, nxpk= 20, iat= 854,1599, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 84 TYR HN 83 GLU HA 4.50 (# 1571:20 Unique 3.54, 3.56 A)
&rst
ixpk= 1571, nxpk= 20, iat=1257,1244, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:1572 64 ARG HA 5.50 (# 1572:20 Single Ambig)
&rst
ixpk= 1572, nxpk= 20, iat= -1, 958, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 515, 516, 517, 519, 520, 521,1032,1033,1034,1036,
1037,1038,
&end
#
# 65 LEU HB+ 64 ARG HA 7.00 (# 1573:20 Unique 4.34, 4.54 A)
&rst
ixpk= 1573, nxpk= 20, iat= -1, 958, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 984, 985,
&end
#
# 64 ARG HG+ 64 ARG HA 3.50 (# 1574:20 Unique 2.27, 2.74 A)
&rst
ixpk= 1574, nxpk= 20, iat= -1, 958, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 963, 964,
&end
#
# 32 TYR HD 64 ARG HA 4.50 (# 1575:20 Unique 2.99, 4.24 A)
&rst
ixpk= 1575, nxpk= 20, iat= -1, 958, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 496, 505,
&end
#
# 42 TYR HN 41 GLU HA 3.50 (# 1576:20 Unique 2.08, 2.68 A)
&rst
ixpk= 1576, nxpk= 20, iat= 644, 631, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 25 ALA MB 24 TRP HA 4.50 (# 1577:20 Unique 4.13, 4.75 A)
&rst
ixpk= 1577, nxpk= 20, iat= -1, 371, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 397, 398, 399,
&end
#
# 0 AMB 20-2:1578 24 TRP HA 5.50 (# 1578:20 Single Ambig)
&rst
ixpk= 1578, nxpk= 20, iat= -1, 371, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 237, 238,1804,1805,1806,1808,1809,1810,
&end
#
# 0 AMB 20-2:1579 24 TRP HA 7.00 (# 1579:20 Single Ambig)
&rst
ixpk= 1579, nxpk= 20, iat= -1, 371, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1= 231, 178, 179,
&end
#
# 24 TRP HD1 24 TRP HA 5.50 (# 1580:20 Unique 3.17, 3.29 A)
&rst
ixpk= 1580, nxpk= 20, iat= 377, 371, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 14 ILE QG2 74 TYR HA 4.50 (# 1581:20 Unique 4.25, 5.01 A)
&rst
ixpk= 1581, nxpk= 20, iat= -1,1096, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 199, 200, 201,
&end
#
# 16 ILE QG2 74 TYR HA 5.50 (# 1582:20 Unique 3.73, 4.93 A)
&rst
ixpk= 1582, nxpk= 20, iat= -1,1096, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 233, 234, 235,
&end
#
# 0 AMB 20-2:1583 96 ALA HA 5.50 (# 1583:20 Single Ambig)
&rst
ixpk= 1583, nxpk= 20, iat= -1,1456, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 538, 539, 540, 885, 886, 887, 889, 890, 891,
&end
#
# 34 ILE QG2 96 ALA HA 4.50 (# 1584:20 Unique 2.80, 3.85 A)
&rst
ixpk= 1584, nxpk= 20, iat= -1,1456, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 531, 532, 533,
&end
#
# 99 MET HB- 96 ALA HA 4.50 (# 1585:20 Unique 2.64, 3.53 A)
&rst
ixpk= 1585, nxpk= 20, iat= -1,1456, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1505,1506,
&end
#
# 99 MET HG+ 96 ALA HA 7.00 (# 1586:20 Unique 3.62, 3.97 A)
&rst
ixpk= 1586, nxpk= 20, iat= -1,1456, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1508,1509,
&end
#
# 99 MET HG- 96 ALA HA 7.00 (# 1587:20 Unique 3.62, 3.97 A)
&rst
ixpk= 1587, nxpk= 20, iat= -1,1456, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1508,1509,
&end
#
# 97 LYS HN 96 ALA HA 5.50 (# 1588:20 Unique 3.60, 3.61 A)
&rst
ixpk= 1588, nxpk= 20, iat=1464,1456, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 99 MET HN 96 ALA HA 5.50 (# 1589:20 Unique 3.50, 3.53 A)
&rst
ixpk= 1589, nxpk= 20, iat=1501,1456, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 124 LYS HN 124 LYS HA 4.50 (# 1591:20 Unique 2.28, 2.78 A)
&rst
ixpk= 1591, nxpk= 20, iat=1916,1918, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:1592 124 LYS HA 5.50 (# 1592:20 Single Ambig)
&rst
ixpk= 1592, nxpk= 20, iat= -1,1918, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1382,1337,1338,
&end
#
# 124 LYS HG- 124 LYS HA 5.50 (# 1593:20 Unique 2.60, 3.97 A)
&rst
ixpk= 1593, nxpk= 20, iat= -1,1918, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1923,1924,
&end
#
# 76 VAL MGX 6 GLN HA 5.50 (# 1594:20 Unique 4.53, 7.15 A)
&rst
ixpk= 1594, nxpk= 20, iat= -1, 75, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1145,1146,1147,1149,1150,1151,
&end
#
# 103 LYS HN 103 LYS HA 4.50 (# 1595:20 Unique 2.97, 2.98 A)
&rst
ixpk= 1595, nxpk= 20, iat=1558,1560, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 103 LYS HG+ 103 LYS HA 4.50 (# 1596:20 Unique 2.36, 2.72 A)
&rst
ixpk= 1596, nxpk= 20, iat= -1,1560, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1565,1566,
&end
#
# 103 LYS HG- 103 LYS HA 5.50 (# 1597:20 Unique 2.36, 2.72 A)
&rst
ixpk= 1597, nxpk= 20, iat= -1,1560, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1565,1566,
&end
#
# 34 ILE QG2 62 ARG HA 7.00 (# 1599:20 Unique 4.08, 5.02 A)
&rst
ixpk= 1599, nxpk= 20, iat= -1, 919, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1= 531, 532, 533,
&end
#
# 0 AMB 20-2:1601 62 ARG HA 7.00 (# 1601:20 Single Ambig)
&rst
ixpk= 1601, nxpk= 20, iat= -1, 919, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 927, 928, 492, 493,
&end
#
# 0 AMB 20-2:1602 62 ARG HA 4.50 (# 1602:20 Single Ambig)
&rst
ixpk= 1602, nxpk= 20, iat= -1, 919, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 544, 525,
&end
#
# 0 AMB 20-2:1603 15 GLU HA 7.00 (# 1603:20 Single Ambig)
&rst
ixpk= 1603, nxpk= 20, iat= -1, 214, r1= 0.00, r2= 1.80, r3= 9.15, r4= 9.90,
igr1= 231,1122,1123, 178, 179,
&end
#
# 15 GLU HG+ 15 GLU HA 3.50 (# 1604:20 Unique 2.46, 3.08 A)
&rst
ixpk= 1604, nxpk= 20, iat= -1, 214, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 219, 220,
&end
#
# 15 GLU HB- 15 GLU HA 4.50 (# 1605:20 Unique 2.32, 2.71 A)
&rst
ixpk= 1605, nxpk= 20, iat= -1, 214, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 216, 217,
&end
#
# 8 PRO HG+ 7 GLU HA 5.50 (# 1606:20 Unique 4.30, 4.51 A)
&rst
ixpk= 1606, nxpk= 20, iat= -1, 92, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 109, 110,
&end
#
# 7 GLU HG+ 7 GLU HA 5.50 (# 1607:20 Unique 2.29, 2.89 A)
&rst
ixpk= 1607, nxpk= 20, iat= -1, 92, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 97, 98,
&end
#
# 59 GLU HG+ 59 GLU HA 2.80 (# 1608:20 Unique 2.35, 2.72 A)
&rst
ixpk= 1608, nxpk= 20, iat= -1, 866, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 871, 872,
&end
#
# 59 GLU HB+ 59 GLU HA 2.80 (# 1609:20 Unique 2.41, 2.79 A)
&rst
ixpk= 1609, nxpk= 20, iat= -1, 866, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 868, 869,
&end
#
# 13 LEU MDY 13 LEU HA 4.50 (# 1610:20 Unique 2.09, 3.79 A)
&rst
ixpk= 1610, nxpk= 20, iat= -1, 176, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 183, 184, 185, 187, 188, 189,
&end
#
# 103 LYS HA 59 GLU HA 2.80 (# 1611:20 Unique 2.07, 2.17 A)
&rst
ixpk= 1611, nxpk= 20, iat=1560, 866, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 26 LEU HA 13 LEU HA 4.50 (# 1612:20 Unique 2.84, 2.93 A)
&rst
ixpk= 1612, nxpk= 20, iat= 405, 176, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 59 GLU HN 59 GLU HA 4.50 (# 1613:20 Unique 2.96, 2.99 A)
&rst
ixpk= 1613, nxpk= 20, iat= 864, 866, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 36 LEU MDY 36 LEU HA 5.50 (# 1614:20 Unique 2.15, 3.81 A)
&rst
ixpk= 1614, nxpk= 20, iat= -1, 563, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 570, 571, 572, 574, 575, 576,
&end
#
# 0 AMB 20-2:1615 36 LEU HA 3.50 (# 1615:20 Single Ambig)
&rst
ixpk= 1615, nxpk= 20, iat= -1, 563, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 565, 566, 885, 886, 887, 889, 890, 891,
&end
#
# 36 LEU HG 36 LEU HA 5.50 (# 1616:20 Unique 2.52, 3.24 A)
&rst
ixpk= 1616, nxpk= 20, iat= 568, 563, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 36 LEU HB- 36 LEU HA 5.50 (# 1617:20 Unique 2.40, 2.78 A)
&rst
ixpk= 1617, nxpk= 20, iat= -1, 563, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 565, 566,
&end
#
# 61 LYS HN 36 LEU HA 4.50 (# 1618:20 Unique 3.11, 3.31 A)
&rst
ixpk= 1618, nxpk= 20, iat= 895, 563, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 13 LEU MDX 26 LEU HA 5.50 (# 1619:20 Unique 2.69, 5.28 A)
&rst
ixpk= 1619, nxpk= 20, iat= -1, 405, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 183, 184, 185, 187, 188, 189,
&end
#
# 13 LEU HA 26 LEU HA 5.50 (# 1620:20 Unique 2.84, 2.93 A)
&rst
ixpk= 1620, nxpk= 20, iat= 176, 405, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 14 ILE HN 26 LEU HA 7.00 (# 1621:20 Unique 3.69, 3.76 A)
&rst
ixpk= 1621, nxpk= 20, iat= 193, 405, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 0 AMB 20-2:1622 58 ALA HA 5.50 (# 1622:20 Single Ambig)
&rst
ixpk= 1622, nxpk= 20, iat= -1, 856, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 868, 869,1584,1585,1562,1563, 597, 598,
&end
#
# 39 PRO HD- 58 ALA HA 5.50 (# 1623:20 Unique 2.19, 4.34 A)
&rst
ixpk= 1623, nxpk= 20, iat= -1, 856, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 605, 606,
&end
#
# 38 PRO HA 58 ALA HA 5.50 (# 1624:20 Unique 3.17, 4.09 A)
&rst
ixpk= 1624, nxpk= 20, iat= 600, 856, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 85 GLN HG+ 86 PRO HD- 4.50 (# 1625:20 Unique 3.91, 4.83 A)
&rst
ixpk= 1625, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1285,1286,
igr2=1296,1297,
&end
#
# 85 GLN HG+ 86 PRO HD+ 5.50 (# 1626:20 Unique 3.91, 4.83 A)
&rst
ixpk= 1626, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1285,1286,
igr2=1296,1297,
&end
#
# 86 PRO HB+ 86 PRO HD+ 4.50 (# 1627:20 Unique 2.80, 3.67 A)
&rst
ixpk= 1627, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1302,1303,
igr2=1296,1297,
&end
#
# 86 PRO HB- 86 PRO HD+ 5.50 (# 1628:20 Unique 2.80, 3.67 A)
&rst
ixpk= 1628, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1302,1303,
igr2=1296,1297,
&end
#
# 86 PRO HB- 86 PRO HD- 5.50 (# 1629:20 Unique 2.80, 3.67 A)
&rst
ixpk= 1629, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1302,1303,
igr2=1296,1297,
&end
#
# 86 PRO HB+ 86 PRO HD- 7.00 (# 1630:20 Unique 2.80, 3.67 A)
&rst
ixpk= 1630, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1302,1303,
igr2=1296,1297,
&end
#
# 81 ASP HA 86 PRO HD+ 5.50 (# 1631:20 Unique 4.56, 6.20 A)
&rst
ixpk= 1631, nxpk= 20, iat=1215, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1296,1297,
&end
#
# 81 ASP HA 86 PRO HD- 7.00 (# 1632:20 Unique 4.56, 6.20 A)
&rst
ixpk= 1632, nxpk= 20, iat=1215, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1296,1297,
&end
#
# 0 AMB 20-2:1633 0 AMB 20-1:1633 7.00 (# 1633:20 Double Ambig)
&rst
ixpk= 1633, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
igr1=1278,1309,
igr2=1296,1297,1296,1297,
&end
#
# 85 GLN HN 86 PRO HD- 7.00 (# 1634:20 Unique 4.82, 5.08 A)
&rst
ixpk= 1634, nxpk= 20, iat=1278, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1296,1297,
&end
#
# 42 TYR HB+ 43 PRO HD+ 7.00 (# 1635:20 Unique 2.19, 3.94 A)
&rst
ixpk= 1635, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 648, 649,
igr2= 666, 667,
&end
#
# 43 PRO HB- 43 PRO HD+ 4.50 (# 1637:20 Unique 2.77, 3.67 A)
&rst
ixpk= 1637, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 672, 673,
igr2= 666, 667,
&end
#
# 42 TYR HD 43 PRO HD- 4.50 (# 1639:20 Unique 2.39, 4.66 A)
&rst
ixpk= 1639, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 652, 661,
igr2= 666, 667,
&end
#
# 43 PRO HB- 43 PRO HD- 7.00 (# 1640:20 Unique 2.77, 3.67 A)
&rst
ixpk= 1640, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 672, 673,
igr2= 666, 667,
&end
#
# 0 AMB 20-2:1641 0 AMB 20-1:1641 5.50 (# 1641:20 Double Ambig)
&rst
ixpk= 1641, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 126, 127, 126, 127,
igr2= 142, 143, 142, 143,
&end
#
# 29 GLY HN 10 PRO HD+ 5.50 (# 1642:20 Unique 4.13, 5.40 A)
&rst
ixpk= 1642, nxpk= 20, iat= 462, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 142, 143,
&end
#
# 0 AMB 20-2:1643 8 PRO HD- 5.50 (# 1643:20 Single Ambig)
&rst
ixpk= 1643, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 989, 990, 991, 993, 994, 995, 206, 207, 208,
igr2= 106, 107,
&end
#
# 76 VAL MGX 8 PRO HD- 7.00 (# 1644:20 Unique 2.91, 6.06 A)
&rst
ixpk= 1644, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1=1145,1146,1147,1149,1150,1151,
igr2= 106, 107,
&end
#
# 7 GLU HG+ 8 PRO HD- 3.50 (# 1645:20 Unique 2.33, 3.98 A)
&rst
ixpk= 1645, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 97, 98,
igr2= 106, 107,
&end
#
# 0 AMB 20-2:1646 0 AMB 20-1:1646 5.50 (# 1646:20 Double Ambig)
&rst
ixpk= 1646, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 989, 990, 991, 993, 994, 995, 206, 207, 208,
igr2= 106, 107, 106, 107,
&end
#
# 8 PRO HB+ 8 PRO HD+ 5.50 (# 1647:20 Unique 2.83, 3.69 A)
&rst
ixpk= 1647, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 112, 113,
igr2= 106, 107,
&end
#
# 8 PRO HB- 8 PRO HD+ 7.00 (# 1648:20 Unique 2.83, 3.69 A)
&rst
ixpk= 1648, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 112, 113,
igr2= 106, 107,
&end
#
# 7 GLU HG+ 8 PRO HD+ 4.50 (# 1649:20 Unique 2.33, 3.98 A)
&rst
ixpk= 1649, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 97, 98,
igr2= 106, 107,
&end
#
# 8 PRO HA 8 PRO HD+ 5.50 (# 1650:20 Unique 3.57, 3.85 A)
&rst
ixpk= 1650, nxpk= 20, iat= 115, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 106, 107,
&end
#
# 91 VAL MGX 88 PRO HD+ 4.50 (# 1651:20 Unique 4.23, 5.79 A)
&rst
ixpk= 1651, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1384,1385,1386,1388,1389,1390,
igr2=1334,1335,
&end
#
# 91 VAL MGY 88 PRO HD+ 7.00 (# 1652:20 Unique 4.23, 5.79 A)
&rst
ixpk= 1652, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1=1384,1385,1386,1388,1389,1390,
igr2=1334,1335,
&end
#
# 88 PRO HG- 88 PRO HD+ 2.80 (# 1654:20 Unique 2.26, 2.59 A)
&rst
ixpk= 1654, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1337,1338,
igr2=1334,1335,
&end
#
# 88 PRO HB- 88 PRO HD+ 5.50 (# 1655:20 Unique 2.77, 3.71 A)
&rst
ixpk= 1655, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1340,1341,
igr2=1334,1335,
&end
#
# 121 ARG HG+ 88 PRO HD- 5.50 (# 1656:20 Unique 5.90, 7.15 A)
&rst
ixpk= 1656, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1871,1872,
igr2=1334,1335,
&end
#
# 91 VAL MGY 88 PRO HD- 4.50 (# 1657:20 Unique 4.23, 5.79 A)
&rst
ixpk= 1657, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1384,1385,1386,1388,1389,1390,
igr2=1334,1335,
&end
#
# 88 PRO HB- 88 PRO HD- 5.50 (# 1658:20 Unique 2.77, 3.71 A)
&rst
ixpk= 1658, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1340,1341,
igr2=1334,1335,
&end
#
# 37 ALA HN 37 ALA HA 4.50 (# 1659:20 Unique 2.87, 2.95 A)
&rst
ixpk= 1659, nxpk= 20, iat= 580, 582, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:1660 0 AMB 20-1:1660 3.50 (# 1660:20 Double Ambig)
&rst
ixpk= 1660, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 316,1916,
igr2= 311, 312,1911,1912,
&end
#
# 20 GLY HN 20 GLY HA+ 3.50 (# 1662:20 Unique 2.30, 2.64 A)
&rst
ixpk= 1662, nxpk= 20, iat= 309, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 311, 312,
&end
#
# 32 TYR HN 31 GLY HA+ 5.50 (# 1663:20 Unique 3.16, 3.32 A)
&rst
ixpk= 1663, nxpk= 20, iat= 488, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 483, 484,
&end
#
# 19 LEU HG 20 GLY HA+ 7.00 (# 1664:20 Unique 3.67, 5.62 A)
&rst
ixpk= 1664, nxpk= 20, iat= 297, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 311, 312,
&end
#
# 120 LEU MDY 26 LEU HB- 7.00 (# 1667:20 Unique 2.19, 4.75 A)
&rst
ixpk= 1667, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1=1854,1855,1856,1858,1859,1860,
igr2= 407, 408,
&end
#
# 0 AMB 20-2:1668 26 LEU HB- 7.00 (# 1668:20 Single Ambig)
&rst
ixpk= 1668, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.27, r4=11.02,
igr1= 535, 536, 397, 398, 399,
igr2= 407, 408,
&end
#
# 117 VAL HB 26 LEU HB- 7.00 (# 1669:20 Unique 2.66, 3.82 A)
&rst
ixpk= 1669, nxpk= 20, iat=1802, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 407, 408,
&end
#
# 13 LEU MDX 26 LEU HB+ 5.50 (# 1670:20 Unique 3.33, 6.49 A)
&rst
ixpk= 1670, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 183, 184, 185, 187, 188, 189,
igr2= 407, 408,
&end
#
# 26 LEU HG 11 GLY HA- 5.50 (# 1671:20 Unique 4.38, 5.57 A)
&rst
ixpk= 1671, nxpk= 20, iat= 410, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 157, 158,
&end
#
# 0 AMB 20-2:1672 11 GLY HA- 3.50 (# 1672:20 Single Ambig)
&rst
ixpk= 1672, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1353,1354,1355,1357,1358,1359,1407,1408,1409,
igr2= 157, 158,
&end
#
# 89 VAL MGX 11 GLY HA- 5.50 (# 1673:20 Unique 2.15, 4.42 A)
&rst
ixpk= 1673, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1353,1354,1355,1357,1358,1359,
igr2= 157, 158,
&end
#
# 0 AMB 20-2:1674 11 GLY HA- 5.50 (# 1674:20 Single Ambig)
&rst
ixpk= 1674, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 151,1866,
igr2= 157, 158,
&end
#
# 0 AMB 20-2:1675 0 AMB 20-1:1675 5.50 (# 1675:20 Double Ambig)
&rst
ixpk= 1675, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 162,1413,
igr2= 157, 158, 157, 158,
&end
#
# 89 VAL MGX 11 GLY HA+ 4.50 (# 1676:20 Unique 2.15, 4.42 A)
&rst
ixpk= 1676, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1353,1354,1355,1357,1358,1359,
igr2= 157, 158,
&end
#
# 0 AMB 20-2:1677 0 AMB 20-1:1677 3.50 (# 1677:20 Double Ambig)
&rst
ixpk= 1677, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1353,1354,1355,1357,1358,1359,1407,1408,1409,
igr2= 157, 158, 157, 158,
&end
#
# 26 LEU HG 11 GLY HA+ 7.00 (# 1678:20 Unique 4.38, 5.57 A)
&rst
ixpk= 1678, nxpk= 20, iat= 410, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 157, 158,
&end
#
# 100 VAL MGY 101 GLY HA- 5.50 (# 1679:20 Unique 3.66, 5.63 A)
&rst
ixpk= 1679, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1524,1525,1526,1528,1529,1530,
igr2=1536,1537,
&end
#
# 100 VAL HA 101 GLY HA- 5.50 (# 1680:20 Unique 4.35, 4.42 A)
&rst
ixpk= 1680, nxpk= 20, iat=1520, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1536,1537,
&end
#
# 102 GLN HN 101 GLY HA+ 4.50 (# 1681:20 Unique 3.20, 3.36 A)
&rst
ixpk= 1681, nxpk= 20, iat=1541, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1536,1537,
&end
#
# 100 VAL HA 101 GLY HA+ 5.50 (# 1682:20 Unique 4.35, 4.42 A)
&rst
ixpk= 1682, nxpk= 20, iat=1520, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1536,1537,
&end
#
# 59 GLU HG+ 101 GLY HA+ 4.50 (# 1683:20 Unique 3.25, 4.62 A)
&rst
ixpk= 1683, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 871, 872,
igr2=1536,1537,
&end
#
# 60 VAL HB 101 GLY HA+ 5.50 (# 1684:20 Unique 4.74, 5.03 A)
&rst
ixpk= 1684, nxpk= 20, iat= 883, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1536,1537,
&end
#
# 100 VAL MGY 101 GLY HA+ 4.50 (# 1685:20 Unique 3.66, 5.63 A)
&rst
ixpk= 1685, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1524,1525,1526,1528,1529,1530,
igr2=1536,1537,
&end
#
# 0 AMB 20-2:1687 0 AMB 20-1:1687 4.50 (# 1687:20 Double Ambig)
&rst
ixpk= 1687, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 129, 130, 123, 124,
igr2= 464, 465, 464, 465,
&end
#
# 9 LYS HD- 29 GLY HA+ 5.50 (# 1688:20 Unique 5.23, 6.37 A)
&rst
ixpk= 1688, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 129, 130,
igr2= 464, 465,
&end
#
# 0 AMB 20-2:1689 18 ARG HD- 4.50 (# 1689:20 Single Ambig)
&rst
ixpk= 1689, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 270, 271, 233, 234, 235,
igr2= 276, 277,
&end
#
# 18 ARG HB+ 18 ARG HD+ 4.50 (# 1691:20 Unique 2.40, 2.99 A)
&rst
ixpk= 1691, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 270, 271,
igr2= 276, 277,
&end
#
# 18 ARG HG- 18 ARG HD+ 4.50 (# 1692:20 Unique 2.33, 2.70 A)
&rst
ixpk= 1692, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 273, 274,
igr2= 276, 277,
&end
#
# 23 HIS HD2 18 ARG HD+ 5.50 (# 1695:20 Unique 2.74, 4.80 A)
&rst
ixpk= 1695, nxpk= 20, iat= 365, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 276, 277,
&end
#
# 111 ARG HB+ 111 ARG HD+ 4.50 (# 1698:20 Unique 2.37, 3.20 A)
&rst
ixpk= 1698, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1701,1702,
igr2=1707,1708,
&end
#
# 111 ARG HB+ 111 ARG HD- 4.50 (# 1699:20 Unique 2.37, 3.20 A)
&rst
ixpk= 1699, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1701,1702,
igr2=1707,1708,
&end
#
# 111 ARG HA 111 ARG HD+ 5.50 (# 1700:20 Unique 2.14, 4.24 A)
&rst
ixpk= 1700, nxpk= 20, iat=1699, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1707,1708,
&end
#
# 111 ARG HA 111 ARG HD- 7.00 (# 1701:20 Unique 2.14, 4.24 A)
&rst
ixpk= 1701, nxpk= 20, iat=1699, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1707,1708,
&end
#
# 75 ARG HG+ 75 ARG HD- 4.50 (# 1702:20 Unique 2.31, 2.69 A)
&rst
ixpk= 1702, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1122,1123,
igr2=1125,1126,
&end
#
# 62 ARG HB- 62 ARG HD- 2.80 (# 1703:20 Unique 2.42, 3.12 A)
&rst
ixpk= 1703, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 921, 922,
igr2= 927, 928,
&end
#
# 62 ARG HB- 62 ARG HD+ 3.50 (# 1704:20 Unique 2.42, 3.12 A)
&rst
ixpk= 1704, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 921, 922,
igr2= 927, 928,
&end
#
# 14 ILE QD1 12 ASP HB+ 5.50 (# 1705:20 Unique 3.17, 5.24 A)
&rst
ixpk= 1705, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 206, 207, 208,
igr2= 166, 167,
&end
#
# 8 PRO HB+ 12 ASP HB+ 7.00 (# 1706:20 Unique 2.57, 3.73 A)
&rst
ixpk= 1706, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 112, 113,
igr2= 166, 167,
&end
#
# 12 ASP HA 12 ASP HB+ 3.50 (# 1707:20 Unique 2.49, 2.79 A)
&rst
ixpk= 1707, nxpk= 20, iat= 164, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 166, 167,
&end
#
# 13 LEU HN 12 ASP HB+ 5.50 (# 1708:20 Unique 2.56, 3.43 A)
&rst
ixpk= 1708, nxpk= 20, iat= 174, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 166, 167,
&end
#
# 9 LYS HN 12 ASP HB+ 7.00 (# 1709:20 Unique 2.42, 3.26 A)
&rst
ixpk= 1709, nxpk= 20, iat= 119, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 166, 167,
&end
#
# 0 AMB 20-2:1710 64 ARG HD- 4.50 (# 1710:20 Single Ambig)
&rst
ixpk= 1710, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 958, 483, 484,
igr2= 966, 967,
&end
#
# 0 AMB 20-2:1711 0 AMB 20-1:1711 4.50 (# 1711:20 Double Ambig)
&rst
ixpk= 1711, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 958, 483, 484,
igr2= 966, 967, 966, 967,
&end
#
# 67 ASP HN 64 ARG HD- 4.50 (# 1713:20 Unique 4.32, 5.13 A)
&rst
ixpk= 1713, nxpk= 20, iat=1014, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 966, 967,
&end
#
# 0 AMB 20-2:1714 0 AMB 20-1:1714 4.50 (# 1714:20 Double Ambig)
&rst
ixpk= 1714, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1014, 496, 505,
igr2= 966, 967, 966, 967,
&end
#
# 121 ARG HN 120 LEU HB- 7.00 (# 1715:20 Unique 2.76, 3.38 A)
&rst
ixpk= 1715, nxpk= 20, iat=1864, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1849,1850,
&end
#
# 59 GLU HA 103 LYS HE+ 5.50 (# 1717:20 Unique 4.15, 5.44 A)
&rst
ixpk= 1717, nxpk= 20, iat= 866, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1571,1572,
&end
#
# 0 AMB 20-2:1720 54 LEU HB- 5.50 (# 1720:20 Single Ambig)
&rst
ixpk= 1720, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 818, 799,
igr2= 803, 804,
&end
#
# 0 AMB 20-2:1721 0 AMB 20-1:1721 5.50 (# 1721:20 Double Ambig)
&rst
ixpk= 1721, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 818, 799,
igr2= 803, 804, 803, 804,
&end
#
# 120 LEU HN 120 LEU HB+ 5.50 (# 1722:20 Unique 2.49, 3.10 A)
&rst
ixpk= 1722, nxpk= 20, iat=1845, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1849,1850,
&end
#
# 75 ARG HN 74 TYR HB+ 4.50 (# 1723:20 Unique 2.39, 3.16 A)
&rst
ixpk= 1723, nxpk= 20, iat=1115, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1098,1099,
&end
#
# 33 VAL HN 32 TYR HB+ 4.50 (# 1724:20 Unique 2.65, 3.37 A)
&rst
ixpk= 1724, nxpk= 20, iat= 509, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 492, 493,
&end
#
# 94 SER HA 97 LYS HE+ 7.00 (# 1725:20 Unique 4.80, 5.33 A)
&rst
ixpk= 1725, nxpk= 20, iat=1434, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1477,1478,
&end
#
# 33 VAL HN 32 TYR HB- 5.50 (# 1726:20 Unique 2.65, 3.37 A)
&rst
ixpk= 1726, nxpk= 20, iat= 509, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 492, 493,
&end
#
# 36 LEU MDX 36 LEU HB- 5.50 (# 1727:20 Unique 2.39, 3.37 A)
&rst
ixpk= 1727, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 570, 571, 572, 574, 575, 576,
igr2= 565, 566,
&end
#
# 36 LEU HA 36 LEU HB- 7.00 (# 1728:20 Unique 2.40, 2.78 A)
&rst
ixpk= 1728, nxpk= 20, iat= 563, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 565, 566,
&end
#
# 33 VAL MGX 65 LEU HB- 4.50 (# 1729:20 Unique 2.23, 4.46 A)
&rst
ixpk= 1729, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 515, 516, 517, 519, 520, 521,
igr2= 984, 985,
&end
#
# 36 LEU HG 36 LEU HB+ 5.50 (# 1730:20 Unique 2.27, 2.69 A)
&rst
ixpk= 1730, nxpk= 20, iat= 568, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 565, 566,
&end
#
# 36 LEU HA 36 LEU HB+ 5.50 (# 1731:20 Unique 2.40, 2.78 A)
&rst
ixpk= 1731, nxpk= 20, iat= 563, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 565, 566,
&end
#
# 36 LEU HN 36 LEU HB+ 7.00 (# 1732:20 Unique 2.29, 2.73 A)
&rst
ixpk= 1732, nxpk= 20, iat= 561, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 565, 566,
&end
#
# 0 AMB 20-2:1733 0 AMB 20-1:1733 7.00 (# 1733:20 Double Ambig)
&rst
ixpk= 1733, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 483, 484, 958,
igr2= 984, 985, 984, 985,
&end
#
# 80 LEU HN 80 LEU HB- 4.50 (# 1734:20 Unique 2.56, 3.15 A)
&rst
ixpk= 1734, nxpk= 20, iat=1194, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1198,1199,
&end
#
# 84 TYR HE 80 LEU HB- 5.50 (# 1735:20 Unique 2.26, 5.39 A)
&rst
ixpk= 1735, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1267,1272,
igr2=1198,1199,
&end
#
# 13 LEU HG 13 LEU HB+ 7.00 (# 1736:20 Unique 2.26, 2.71 A)
&rst
ixpk= 1736, nxpk= 20, iat= 181, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 178, 179,
&end
#
# 13 LEU HA 13 LEU HB+ 5.50 (# 1737:20 Unique 2.47, 2.80 A)
&rst
ixpk= 1737, nxpk= 20, iat= 176, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 178, 179,
&end
#
# 24 TRP HD1 13 LEU HB+ 4.50 (# 1738:20 Unique 3.11, 4.70 A)
&rst
ixpk= 1738, nxpk= 20, iat= 377, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 178, 179,
&end
#
# 13 LEU HN 13 LEU HB+ 5.50 (# 1740:20 Unique 2.19, 3.00 A)
&rst
ixpk= 1740, nxpk= 20, iat= 174, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 178, 179,
&end
#
# 24 TRP HD1 13 LEU HB- 4.50 (# 1742:20 Unique 3.11, 4.70 A)
&rst
ixpk= 1742, nxpk= 20, iat= 377, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 178, 179,
&end
#
# 13 LEU HA 13 LEU HB- 5.50 (# 1743:20 Unique 2.47, 2.80 A)
&rst
ixpk= 1743, nxpk= 20, iat= 176, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 178, 179,
&end
#
# 13 LEU HG 13 LEU HB- 5.50 (# 1744:20 Unique 2.26, 2.71 A)
&rst
ixpk= 1744, nxpk= 20, iat= 181, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 178, 179,
&end
#
# 0 AMB 20-2:1746 34 ILE HB 4.50 (# 1746:20 Single Ambig)
&rst
ixpk= 1746, nxpk= 20, iat= -1, 529, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1=1854,1855,1856,1858,1859,1860, 410,
&end
#
# 34 ILE HA 34 ILE HB 4.50 (# 1747:20 Unique 3.03, 3.04 A)
&rst
ixpk= 1747, nxpk= 20, iat= 527, 529, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 26 LEU HB- 34 ILE HB 5.50 (# 1748:20 Unique 2.36, 3.46 A)
&rst
ixpk= 1748, nxpk= 20, iat= -1, 529, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 407, 408,
&end
#
# 13 LEU MDY 13 LEU HB- 3.50 (# 1749:20 Unique 2.41, 3.36 A)
&rst
ixpk= 1749, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 183, 184, 185, 187, 188, 189,
igr2= 178, 179,
&end
#
# 13 LEU MDX 13 LEU HB- 4.50 (# 1750:20 Unique 2.41, 3.36 A)
&rst
ixpk= 1750, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 183, 184, 185, 187, 188, 189,
igr2= 178, 179,
&end
#
# 13 LEU HN 13 LEU HB- 5.50 (# 1751:20 Unique 2.19, 3.00 A)
&rst
ixpk= 1751, nxpk= 20, iat= 174, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 178, 179,
&end
#
# 0 AMB 20-2:1752 0 AMB 20-1:1752 5.50 (# 1752:20 Double Ambig)
&rst
ixpk= 1752, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
1037,1038,
igr2=1018,1019,1018,1019,
&end
#
# 0 AMB 20-2:1753 67 ASP HB- 5.50 (# 1753:20 Single Ambig)
&rst
ixpk= 1753, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
1037,1038,
igr2=1018,1019,
&end
#
# 0 AMB 20-2:1754 30 ASP HB- 2.80 (# 1754:20 Single Ambig)
&rst
ixpk= 1754, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 496, 505, 469,
igr2= 473, 474,
&end
#
# 67 ASP HN 67 ASP HB+ 2.80 (# 1755:20 Unique 2.19, 2.63 A)
&rst
ixpk= 1755, nxpk= 20, iat=1014, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1018,1019,
&end
#
# 67 ASP HN 67 ASP HB- 2.80 (# 1756:20 Unique 2.19, 2.63 A)
&rst
ixpk= 1756, nxpk= 20, iat=1014, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1018,1019,
&end
#
# 64 ARG HB- 67 ASP HB+ 5.50 (# 1757:20 Unique 2.24, 3.57 A)
&rst
ixpk= 1757, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 960, 961,
igr2=1018,1019,
&end
#
# 67 ASP HA 67 ASP HB+ 2.80 (# 1758:20 Unique 2.46, 2.77 A)
&rst
ixpk= 1758, nxpk= 20, iat=1016, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1018,1019,
&end
#
# 67 ASP HA 67 ASP HB- 2.80 (# 1759:20 Unique 2.46, 2.77 A)
&rst
ixpk= 1759, nxpk= 20, iat=1016, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1018,1019,
&end
#
# 81 ASP HA 81 ASP HB+ 3.50 (# 1760:20 Unique 2.51, 2.81 A)
&rst
ixpk= 1760, nxpk= 20, iat=1215, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1217,1218,
&end
#
# 113 CYS HA 116 PHE HB- 7.00 (# 1761:20 Unique 2.17, 3.01 A)
&rst
ixpk= 1761, nxpk= 20, iat=1737, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1782,1783,
&end
#
# 117 VAL MGX 116 PHE HB- 7.00 (# 1762:20 Unique 3.32, 5.82 A)
&rst
ixpk= 1762, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1=1804,1805,1806,1808,1809,1810,
igr2=1782,1783,
&end
#
# 36 LEU MDY 116 PHE HB- 5.50 (# 1763:20 Unique 2.39, 4.66 A)
&rst
ixpk= 1763, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 570, 571, 572, 574, 575, 576,
igr2=1782,1783,
&end
#
# 64 ARG HN 63 GLU HG- 5.50 (# 1764:20 Unique 2.14, 3.94 A)
&rst
ixpk= 1764, nxpk= 20, iat= 956, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 948, 949,
&end
#
# 63 GLU HN 63 GLU HG- 5.50 (# 1765:20 Unique 3.48, 4.52 A)
&rst
ixpk= 1765, nxpk= 20, iat= 941, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 948, 949,
&end
#
# 25 ALA HN 14 ILE HB 4.50 (# 1766:20 Unique 2.74, 3.16 A)
&rst
ixpk= 1766, nxpk= 20, iat= 393, 197, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 14 ILE HA 14 ILE HB 5.50 (# 1767:20 Unique 3.04, 3.05 A)
&rst
ixpk= 1767, nxpk= 20, iat= 195, 197, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:1768 14 ILE HB 5.50 (# 1768:20 Single Ambig)
&rst
ixpk= 1768, nxpk= 20, iat= -1, 197, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 240, 241, 242, 515, 516, 517, 519, 520, 521,
&end
#
# 56 ASN HD2- 56 ASN HB- 5.50 (# 1769:20 Unique 2.20, 3.44 A)
&rst
ixpk= 1769, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 838, 839,
igr2= 833, 834,
&end
#
# 28 ILE HN 28 ILE HB 7.00 (# 1772:20 Unique 3.74, 3.81 A)
&rst
ixpk= 1772, nxpk= 20, iat= 443, 447, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 18 ARG HB+ 21 TYR HB- 5.50 (# 1773:20 Unique 2.25, 5.91 A)
&rst
ixpk= 1773, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 270, 271,
igr2= 320, 321,
&end
#
# 23 HIS HD2 21 TYR HB- 7.00 (# 1774:20 Unique 5.28, 7.14 A)
&rst
ixpk= 1774, nxpk= 20, iat= 365, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 320, 321,
&end
#
# 22 GLU HN 21 TYR HB- 4.50 (# 1775:20 Unique 2.20, 3.50 A)
&rst
ixpk= 1775, nxpk= 20, iat= 337, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 320, 321,
&end
#
# 14 ILE QD1 27 TYR HB+ 4.50 (# 1776:20 Unique 2.19, 3.69 A)
&rst
ixpk= 1776, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 206, 207, 208,
igr2= 426, 427,
&end
#
# 0 AMB 20-2:1777 0 AMB 20-1:1777 5.50 (# 1777:20 Double Ambig)
&rst
ixpk= 1777, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.80, r4=10.55,
igr1= 515, 516, 517, 519, 520, 521, 112, 113,
igr2= 426, 427, 426, 427,
&end
#
# 14 ILE HG1- 27 TYR HB+ 5.50 (# 1778:20 Preassigned 2.31, 3.80 A)
&rst
ixpk= 1778, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 203, 204,
igr2= 426, 427,
&end
#
# 27 TYR HA 27 TYR HB+ 4.50 (# 1780:20 Unique 2.43, 2.75 A)
&rst
ixpk= 1780, nxpk= 20, iat= 424, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 426, 427,
&end
#
# 77 ASN HA 77 ASN HB- 4.50 (# 1781:20 Unique 2.46, 2.76 A)
&rst
ixpk= 1781, nxpk= 20, iat=1157, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1159,1160,
&end
#
# 43 PRO HD+ 42 TYR HB- 5.50 (# 1782:20 Unique 2.19, 3.94 A)
&rst
ixpk= 1782, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 666, 667,
igr2= 648, 649,
&end
#
# 14 ILE HG1- 27 TYR HB- 5.50 (# 1783:20 Preassigned 2.31, 3.80 A)
&rst
ixpk= 1783, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 203, 204,
igr2= 426, 427,
&end
#
# 14 ILE HG1+ 27 TYR HB- 5.50 (# 1784:20 Unique 2.31, 3.80 A)
&rst
ixpk= 1784, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 203, 204,
igr2= 426, 427,
&end
#
# 42 TYR HN 42 TYR HB- 5.50 (# 1786:20 Unique 2.27, 2.95 A)
&rst
ixpk= 1786, nxpk= 20, iat= 644, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 648, 649,
&end
#
# 17 PHE HA 22 GLU HG+ 5.50 (# 1788:20 Unique 2.14, 3.67 A)
&rst
ixpk= 1788, nxpk= 20, iat= 248, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 344, 345,
&end
#
# 22 GLU HA 22 GLU HG+ 4.50 (# 1789:20 Unique 2.41, 3.20 A)
&rst
ixpk= 1789, nxpk= 20, iat= 339, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 344, 345,
&end
#
# 17 PHE HE 22 GLU HG+ 7.00 (# 1790:20 Unique 2.69, 5.64 A)
&rst
ixpk= 1790, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 256, 260,
igr2= 344, 345,
&end
#
# 17 PHE HD 22 GLU HG+ 5.50 (# 1791:20 Unique 2.31, 4.98 A)
&rst
ixpk= 1791, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 254, 262,
igr2= 344, 345,
&end
#
# 77 ASN HD2+ 77 ASN HB+ 5.50 (# 1792:20 Unique 2.41, 3.14 A)
&rst
ixpk= 1792, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1164,1165,
igr2=1159,1160,
&end
#
# 89 VAL MGX 92 ILE HB 5.50 (# 1794:20 Unique 2.95, 4.97 A)
&rst
ixpk= 1794, nxpk= 20, iat= -1,1398, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1353,1354,1355,1357,1358,1359,
&end
#
# 92 ILE HG1- 92 ILE HB 5.50 (# 1795:20 Unique 2.47, 2.77 A)
&rst
ixpk= 1795, nxpk= 20, iat= -1,1398, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1404,1405,
&end
#
# 0 AMB 20-2:1796 92 ILE HB 5.50 (# 1796:20 Single Ambig)
&rst
ixpk= 1796, nxpk= 20, iat= -1,1398, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1396, 157, 158,
&end
#
# 17 PHE HA 22 GLU HG- 5.50 (# 1797:20 Unique 2.14, 3.67 A)
&rst
ixpk= 1797, nxpk= 20, iat= 248, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 344, 345,
&end
#
# 22 GLU HA 22 GLU HG- 4.50 (# 1798:20 Unique 2.41, 3.20 A)
&rst
ixpk= 1798, nxpk= 20, iat= 339, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 344, 345,
&end
#
# 37 ALA MB 61 LYS HB- 4.50 (# 1799:20 Unique 2.61, 4.68 A)
&rst
ixpk= 1799, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 584, 585, 586,
igr2= 899, 900,
&end
#
# 0 AMB 20-2:1800 0 AMB 20-1:1800 5.50 (# 1800:20 Double Ambig)
&rst
ixpk= 1800, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 948, 949, 945, 946,
igr2= 899, 900, 899, 900,
&end
#
# 61 LYS HE+ 61 LYS HB- 7.00 (# 1801:20 Unique 2.17, 4.38 A)
&rst
ixpk= 1801, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 908, 909,
igr2= 899, 900,
&end
#
# 62 ARG HN 61 LYS HB- 4.50 (# 1802:20 Unique 2.45, 3.21 A)
&rst
ixpk= 1802, nxpk= 20, iat= 917, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 899, 900,
&end
#
# 61 LYS HN 61 LYS HB- 5.50 (# 1803:20 Unique 2.45, 3.18 A)
&rst
ixpk= 1803, nxpk= 20, iat= 895, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 899, 900,
&end
#
# 61 LYS HN 61 LYS HB+ 4.50 (# 1804:20 Unique 2.45, 3.18 A)
&rst
ixpk= 1804, nxpk= 20, iat= 895, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 899, 900,
&end
#
# 62 ARG HN 61 LYS HB+ 7.00 (# 1805:20 Unique 2.45, 3.21 A)
&rst
ixpk= 1805, nxpk= 20, iat= 917, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 899, 900,
&end
#
# 17 PHE HA 17 PHE HB+ 4.50 (# 1806:20 Unique 2.37, 2.73 A)
&rst
ixpk= 1806, nxpk= 20, iat= 248, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 250, 251,
&end
#
# 93 ILE HG1+ 93 ILE HB 2.80 (# 1807:20 Unique 2.09, 2.73 A)
&rst
ixpk= 1807, nxpk= 20, iat= -1,1417, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1423,1424,
&end
#
# 67 ASP HB- 63 GLU HB- 7.00 (# 1808:20 Unique 2.79, 5.08 A)
&rst
ixpk= 1808, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1018,1019,
igr2= 945, 946,
&end
#
# 63 GLU HN 63 GLU HB+ 5.50 (# 1811:20 Unique 2.80, 3.32 A)
&rst
ixpk= 1811, nxpk= 20, iat= 941, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 945, 946,
&end
#
# 0 AMB 20-2:1812 0 AMB 20-1:1812 5.50 (# 1812:20 Double Ambig)
&rst
ixpk= 1812, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1580, 854,
igr2=1584,1585,1584,1585,
&end
#
# 104 MET ME 104 MET HB+ 5.50 (# 1813:20 Unique 4.47, 5.01 A)
&rst
ixpk= 1813, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1591,1592,1593,
igr2=1584,1585,
&end
#
# 58 ALA MB 104 MET HB+ 7.00 (# 1814:20 Unique 2.17, 4.23 A)
&rst
ixpk= 1814, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 858, 859, 860,
igr2=1584,1585,
&end
#
# 36 LEU MDY 104 MET HB+ 5.50 (# 1815:20 Unique 2.30, 4.45 A)
&rst
ixpk= 1815, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 570, 571, 572, 574, 575, 576,
igr2=1584,1585,
&end
#
# 36 LEU MDX 104 MET HB+ 2.80 (# 1816:20 Unique 2.30, 4.45 A)
&rst
ixpk= 1816, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 570, 571, 572, 574, 575, 576,
igr2=1584,1585,
&end
#
# 36 LEU MDX 104 MET HB- 3.50 (# 1817:20 Unique 2.30, 4.45 A)
&rst
ixpk= 1817, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 570, 571, 572, 574, 575, 576,
igr2=1584,1585,
&end
#
# 121 ARG HE 78 ASN HB- 7.00 (# 1818:20 Unique 4.28, 6.80 A)
&rst
ixpk= 1818, nxpk= 20, iat=1877, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1173,1174,
&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= 7.78, r4= 8.53,
igr1=1541, 864,
igr2= 871, 872, 871, 872,
&end
#
# 101 GLY HA- 59 GLU HG+ 4.50 (# 1820:20 Unique 3.25, 4.62 A)
&rst
ixpk= 1820, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1536,1537,
igr2= 871, 872,
&end
#
# 101 GLY HA+ 59 GLU HG+ 4.50 (# 1821:20 Unique 3.25, 4.62 A)
&rst
ixpk= 1821, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1536,1537,
igr2= 871, 872,
&end
#
# 67 ASP HN 66 GLU HG+ 3.50 (# 1822:20 Unique 3.68, 4.18 A)
&rst
ixpk= 1822, nxpk= 20, iat=1014, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1006,1007,
&end
#
# 65 LEU MDY 66 GLU HG+ 4.50 (# 1824:20 Unique 2.81, 6.18 A)
&rst
ixpk= 1824, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 989, 990, 991, 993, 994, 995,
igr2=1006,1007,
&end
#
# 64 ARG HG- 66 GLU HG+ 7.00 (# 1825:20 Unique 4.29, 6.59 A)
&rst
ixpk= 1825, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 963, 964,
igr2=1006,1007,
&end
#
# 8 PRO HD- 7 GLU HG- 5.50 (# 1826:20 Unique 2.33, 3.98 A)
&rst
ixpk= 1826, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 106, 107,
igr2= 97, 98,
&end
#
# 8 PRO HD- 7 GLU HG+ 5.50 (# 1827:20 Unique 2.33, 3.98 A)
&rst
ixpk= 1827, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 106, 107,
igr2= 97, 98,
&end
#
# 83 GLU HN 83 GLU HG+ 5.50 (# 1829:20 Unique 2.64, 3.42 A)
&rst
ixpk= 1829, nxpk= 20, iat=1242, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1249,1250,
&end
#
# 0 AMB 20-2:1830 83 GLU HG- 7.00 (# 1830:20 Single Ambig)
&rst
ixpk= 1830, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.89, r4=12.64,
igr1=1203,1204,1205,1207,1208,1209,1203,1204,1205,1207,
1208,1209,
igr2=1249,1250,
&end
#
# 83 GLU HB+ 83 GLU HG- 2.80 (# 1833:20 Unique 2.32, 2.60 A)
&rst
ixpk= 1833, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1246,1247,
igr2=1249,1250,
&end
#
# 83 GLU HA 0 AMB 20-1:1834 3.50 (# 1834:20 Single Ambig)
&rst
ixpk= 1834, nxpk= 20, iat=1244, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2=1249,1250,1249,1250,
&end
#
# 84 TYR HH 0 AMB 20-1:1835 5.50 (# 1835:20 Single Ambig)
&rst
ixpk= 1835, nxpk= 20, iat=1270, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1249,1250,1249,1250,
&end
#
# 83 GLU HN 83 GLU HG- 5.50 (# 1836:20 Unique 2.64, 3.42 A)
&rst
ixpk= 1836, nxpk= 20, iat=1242, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1249,1250,
&end
#
# 26 LEU HN 33 VAL HB 4.50 (# 1837:20 Unique 3.43, 3.65 A)
&rst
ixpk= 1837, nxpk= 20, iat= 403, 513, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:1838 35 HIS HB- 5.50 (# 1838:20 Single Ambig)
&rst
ixpk= 1838, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
1037,1038, 515, 516, 517, 519, 520, 521,
igr2= 548, 549,
&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=12.00, r4=12.75,
igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
1037,1038, 515, 516, 517, 519, 520, 521,
igr2= 548, 549, 548, 549, 548, 549,
&end
#
# 25 ALA HA 35 HIS HB- 4.50 (# 1842:20 Unique 2.64, 3.28 A)
&rst
ixpk= 1842, nxpk= 20, iat= 395, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 548, 549,
&end
#
# 25 ALA HA 35 HIS HB+ 4.50 (# 1843:20 Unique 2.64, 3.28 A)
&rst
ixpk= 1843, nxpk= 20, iat= 395, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 548, 549,
&end
#
# 36 LEU HN 35 HIS HB+ 5.50 (# 1844:20 Unique 2.31, 3.28 A)
&rst
ixpk= 1844, nxpk= 20, iat= 561, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 548, 549,
&end
#
# 36 LEU HN 35 HIS HB- 7.00 (# 1845:20 Unique 2.31, 3.28 A)
&rst
ixpk= 1845, nxpk= 20, iat= 561, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 548, 549,
&end
#
# 60 VAL MGY 102 GLN HG- 7.00 (# 1846:20 Unique 4.90, 6.86 A)
&rst
ixpk= 1846, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 885, 886, 887, 889, 890, 891,
igr2=1548,1549,
&end
#
# 60 VAL MGY 102 GLN HG+ 7.00 (# 1847:20 Unique 4.90, 6.86 A)
&rst
ixpk= 1847, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 885, 886, 887, 889, 890, 891,
igr2=1548,1549,
&end
#
# 102 GLN HE2- 102 GLN HG- 7.00 (# 1848:20 Unique 2.26, 3.25 A)
&rst
ixpk= 1848, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1553,1554,
igr2=1548,1549,
&end
#
# 102 GLN HE2- 102 GLN HG+ 7.00 (# 1849:20 Unique 2.26, 3.25 A)
&rst
ixpk= 1849, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1553,1554,
igr2=1548,1549,
&end
#
# 102 GLN HE2+ 102 GLN HG- 5.50 (# 1850:20 Unique 2.26, 3.25 A)
&rst
ixpk= 1850, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1553,1554,
igr2=1548,1549,
&end
#
# 103 LYS HN 102 GLN HG- 5.50 (# 1851:20 Unique 4.08, 4.56 A)
&rst
ixpk= 1851, nxpk= 20, iat=1558, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1548,1549,
&end
#
# 103 LYS HN 102 GLN HG+ 4.50 (# 1852:20 Unique 4.08, 4.56 A)
&rst
ixpk= 1852, nxpk= 20, iat=1558, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1548,1549,
&end
#
# 23 HIS HN 23 HIS HB- 7.00 (# 1853:20 Unique 2.44, 3.08 A)
&rst
ixpk= 1853, nxpk= 20, iat= 352, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 356, 357,
&end
#
# 23 HIS HD2 23 HIS HB- 5.50 (# 1854:20 Unique 2.57, 3.16 A)
&rst
ixpk= 1854, nxpk= 20, iat= 365, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 356, 357,
&end
#
# 0 AMB 20-2:1855 23 HIS HB- 4.50 (# 1855:20 Single Ambig)
&rst
ixpk= 1855, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 231, 594, 595,
igr2= 356, 357,
&end
#
# 16 ILE QD1 23 HIS HB- 5.50 (# 1856:20 Unique 2.59, 4.90 A)
&rst
ixpk= 1856, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 240, 241, 242,
igr2= 356, 357,
&end
#
# 16 ILE QD1 23 HIS HB+ 4.50 (# 1857:20 Unique 2.59, 4.90 A)
&rst
ixpk= 1857, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 240, 241, 242,
igr2= 356, 357,
&end
#
# 0 AMB 20-2:1858 0 AMB 20-1:1858 4.50 (# 1858:20 Double Ambig)
&rst
ixpk= 1858, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 231, 594, 595,
igr2= 356, 357, 356, 357,
&end
#
# 23 HIS HA 23 HIS HB+ 5.50 (# 1859:20 Unique 2.43, 2.79 A)
&rst
ixpk= 1859, nxpk= 20, iat= 354, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 356, 357,
&end
#
# 23 HIS HN 23 HIS HB+ 5.50 (# 1860:20 Unique 2.44, 3.08 A)
&rst
ixpk= 1860, nxpk= 20, iat= 352, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 356, 357,
&end
#
# 102 GLN HA 0 AMB 20-1:1861 5.50 (# 1861:20 Single Ambig)
&rst
ixpk= 1861, nxpk= 20, iat=1543, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1562,1563, 868, 869,
&end
#
# 114 GLU HB- 114 GLU HG- 5.50 (# 1862:20 Unique 2.23, 2.70 A)
&rst
ixpk= 1862, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1750,1751,
igr2=1753,1754,
&end
#
# 114 GLU HA 114 GLU HG- 5.50 (# 1863:20 Unique 2.33, 3.23 A)
&rst
ixpk= 1863, nxpk= 20, iat=1748, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1753,1754,
&end
#
# 0 AMB 20-2:1864 0 AMB 20-1:1864 7.00 (# 1864:20 Double Ambig)
&rst
ixpk= 1864, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.11, r4=11.86,
igr1=1929,1930,1929,1930,
igr2=1920,1921,1920,1921,
&end
#
# 87 ARG HD- 124 LYS HB+ 7.00 (# 1865:20 Unique 2.89, 5.43 A)
&rst
ixpk= 1865, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1319,1320,
igr2=1920,1921,
&end
#
# 124 LYS HN 124 LYS HB+ 5.50 (# 1866:20 Unique 2.35, 3.02 A)
&rst
ixpk= 1866, nxpk= 20, iat=1916, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1920,1921,
&end
#
# 124 LYS HN 124 LYS HB- 7.00 (# 1867:20 Unique 2.35, 3.02 A)
&rst
ixpk= 1867, nxpk= 20, iat=1916, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1920,1921,
&end
#
# 125 SER HN 124 LYS HB- 5.50 (# 1868:20 Unique 1.87, 3.29 A)
&rst
ixpk= 1868, nxpk= 20, iat=1938, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1920,1921,
&end
#
# 60 VAL MGX 99 MET HB- 4.50 (# 1869:20 Unique 2.33, 3.96 A)
&rst
ixpk= 1869, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 885, 886, 887, 889, 890, 891,
igr2=1505,1506,
&end
#
# 114 GLU HA 24 TRP HB- 5.50 (# 1871:20 Unique 2.34, 2.99 A)
&rst
ixpk= 1871, nxpk= 20, iat=1748, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 373, 374,
&end
#
# 24 TRP HA 24 TRP HB- 5.50 (# 1872:20 Unique 2.46, 2.78 A)
&rst
ixpk= 1872, nxpk= 20, iat= 371, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 373, 374,
&end
#
# 24 TRP HD1 24 TRP HB- 5.50 (# 1873:20 Unique 2.53, 3.15 A)
&rst
ixpk= 1873, nxpk= 20, iat= 377, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 373, 374,
&end
#
# 25 ALA HN 24 TRP HB- 7.00 (# 1874:20 Unique 2.42, 3.36 A)
&rst
ixpk= 1874, nxpk= 20, iat= 393, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 373, 374,
&end
#
# 117 VAL MGX 24 TRP HB+ 5.50 (# 1875:20 Unique 2.18, 3.81 A)
&rst
ixpk= 1875, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1804,1805,1806,1808,1809,1810,
igr2= 373, 374,
&end
#
# 114 GLU HA 24 TRP HB+ 5.50 (# 1876:20 Unique 2.34, 2.99 A)
&rst
ixpk= 1876, nxpk= 20, iat=1748, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 373, 374,
&end
#
# 105 LYS HE+ 105 LYS HB+ 7.00 (# 1877:20 Unique 2.17, 4.04 A)
&rst
ixpk= 1877, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1610,1611,
igr2=1601,1602,
&end
#
# 106 TYR HN 105 LYS HB+ 5.50 (# 1878:20 Unique 2.01, 3.23 A)
&rst
ixpk= 1878, nxpk= 20, iat=1619, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1601,1602,
&end
#
# 120 LEU MDX 99 MET HG- 3.50 (# 1879:20 Unique 2.17, 4.51 A)
&rst
ixpk= 1879, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1854,1855,1856,1858,1859,1860,
igr2=1508,1509,
&end
#
# 120 LEU MDY 99 MET HG- 7.00 (# 1880:20 Unique 2.17, 4.51 A)
&rst
ixpk= 1880, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1=1854,1855,1856,1858,1859,1860,
igr2=1508,1509,
&end
#
# 60 VAL MGX 99 MET HG- 5.50 (# 1881:20 Unique 4.55, 6.02 A)
&rst
ixpk= 1881, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 885, 886, 887, 889, 890, 891,
igr2=1508,1509,
&end
#
# 96 ALA HA 99 MET HG- 5.50 (# 1882:20 Unique 3.62, 3.97 A)
&rst
ixpk= 1882, nxpk= 20, iat=1456, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1508,1509,
&end
#
# 80 LEU HA 83 GLU HB+ 5.50 (# 1883:20 Unique 2.16, 3.15 A)
&rst
ixpk= 1883, nxpk= 20, iat=1196, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1246,1247,
&end
#
# 84 TYR HA 83 GLU HB+ 5.50 (# 1884:20 Unique 4.55, 4.72 A)
&rst
ixpk= 1884, nxpk= 20, iat=1259, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1246,1247,
&end
#
# 88 PRO HD- 88 PRO HB- 5.50 (# 1886:20 Unique 2.77, 3.71 A)
&rst
ixpk= 1886, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1334,1335,
igr2=1340,1341,
&end
#
# 88 PRO HD+ 88 PRO HB- 7.00 (# 1887:20 Unique 2.77, 3.71 A)
&rst
ixpk= 1887, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1334,1335,
igr2=1340,1341,
&end
#
# 89 VAL HN 88 PRO HB- 5.50 (# 1888:20 Unique 3.70, 4.04 A)
&rst
ixpk= 1888, nxpk= 20, iat=1347, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1340,1341,
&end
#
# 9 LYS HA 9 LYS HB+ 3.50 (# 1889:20 Unique 2.21, 2.77 A)
&rst
ixpk= 1889, nxpk= 20, iat= 121, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 123, 124,
&end
#
# 9 LYS HA 9 LYS HB- 3.50 (# 1890:20 Unique 2.21, 2.77 A)
&rst
ixpk= 1890, nxpk= 20, iat= 121, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 123, 124,
&end
#
# 0 AMB 20-2:1891 0 AMB 20-1:1891 3.50 (# 1891:20 Double Ambig)
&rst
ixpk= 1891, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 464, 465,1141,
igr2= 148, 149,1143,
&end
#
# 69 VAL HA 69 VAL HB 4.50 (# 1892:20 Unique 2.34, 2.44 A)
&rst
ixpk= 1892, nxpk= 20, iat=1044,1046, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 36 LEU MDX 104 MET HG+ 3.50 (# 1893:20 Unique 2.26, 4.42 A)
&rst
ixpk= 1893, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 570, 571, 572, 574, 575, 576,
igr2=1587,1588,
&end
#
# 36 LEU MDX 104 MET HG- 4.50 (# 1894:20 Unique 2.26, 4.42 A)
&rst
ixpk= 1894, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 570, 571, 572, 574, 575, 576,
igr2=1587,1588,
&end
#
# 0 AMB 20-2:1895 104 MET HG- 5.50 (# 1895:20 Single Ambig)
&rst
ixpk= 1895, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1580, 879,
igr2=1587,1588,
&end
#
# 0 AMB 20-2:1897 0 AMB 20-1:1897 5.50 (# 1897:20 Double Ambig)
&rst
ixpk= 1897, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1580, 879,
igr2=1587,1588,1587,1588,
&end
#
# 34 ILE QD1 62 ARG HB+ 4.50 (# 1898:20 Unique 2.47, 4.94 A)
&rst
ixpk= 1898, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 538, 539, 540,
igr2= 921, 922,
&end
#
# 0 AMB 20-2:1899 0 AMB 20-1:1899 4.50 (# 1899:20 Double Ambig)
&rst
ixpk= 1899, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 214,1159,1160,
igr2= 216, 217, 216, 217,
&end
#
# 15 GLU HN 15 GLU HB+ 4.50 (# 1900:20 Unique 2.31, 2.97 A)
&rst
ixpk= 1900, nxpk= 20, iat= 212, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 216, 217,
&end
#
# 15 GLU HN 15 GLU HB- 4.50 (# 1901:20 Unique 2.31, 2.97 A)
&rst
ixpk= 1901, nxpk= 20, iat= 212, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 216, 217,
&end
#
# 15 GLU HG+ 15 GLU HB- 5.50 (# 1902:20 Unique 2.35, 2.76 A)
&rst
ixpk= 1902, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 219, 220,
igr2= 216, 217,
&end
#
# 0 AMB 20-2:1903 0 AMB 20-1:1903 3.50 (# 1903:20 Double Ambig)
&rst
ixpk= 1903, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 206, 207, 208, 989, 990, 991, 993, 994, 995,
igr2= 112, 113, 112, 113,
&end
#
# 8 PRO HD- 8 PRO HB+ 7.00 (# 1904:20 Unique 2.83, 3.69 A)
&rst
ixpk= 1904, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 106, 107,
igr2= 112, 113,
&end
#
# 27 TYR HD 8 PRO HB+ 4.50 (# 1905:20 Unique 2.46, 4.25 A)
&rst
ixpk= 1905, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 430, 439,
igr2= 112, 113,
&end
#
# 12 ASP HB- 8 PRO HB- 7.00 (# 1906:20 Unique 2.57, 3.73 A)
&rst
ixpk= 1906, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 166, 167,
igr2= 112, 113,
&end
#
# 38 PRO HD+ 38 PRO HB+ 5.50 (# 1907:20 Unique 2.78, 3.67 A)
&rst
ixpk= 1907, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 591, 592,
igr2= 597, 598,
&end
#
# 23 HIS HD2 38 PRO HB- 5.50 (# 1909:20 Unique 4.18, 5.88 A)
&rst
ixpk= 1909, nxpk= 20, iat= 365, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 597, 598,
&end
#
# 100 VAL MGY 60 VAL HB 7.00 (# 1910:20 Unique 3.96, 5.21 A)
&rst
ixpk= 1910, nxpk= 20, iat= -1, 883, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1=1524,1525,1526,1528,1529,1530,
&end
#
# 0 AMB 20-2:1911 117 VAL HB 7.00 (# 1911:20 Single Ambig)
&rst
ixpk= 1911, nxpk= 20, iat= -1,1802, r1= 0.00, r2= 1.80, r3= 9.68, r4=10.43,
igr1=1854,1855,1856,1858,1859,1860, 410,
&end
#
# 5 HIS HN 5 HIS HB+ 4.50 (# 1913:20 Unique 2.35, 3.22 A)
&rst
ixpk= 1913, nxpk= 20, iat= 56, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 60, 61,
&end
#
# 5 HIS HN 5 HIS HB- 5.50 (# 1914:20 Unique 2.35, 3.22 A)
&rst
ixpk= 1914, nxpk= 20, iat= 56, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 60, 61,
&end
#
# 114 GLU HG- 114 GLU HB- 4.50 (# 1915:20 Unique 2.23, 2.70 A)
&rst
ixpk= 1915, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1753,1754,
igr2=1750,1751,
&end
#
# 13 LEU MDX 121 ARG HB+ 5.50 (# 1916:20 Unique 2.81, 5.24 A)
&rst
ixpk= 1916, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 183, 184, 185, 187, 188, 189,
igr2=1868,1869,
&end
#
# 0 AMB 20-2:1917 0 AMB 20-1:1917 7.00 (# 1917:20 Double Ambig)
&rst
ixpk= 1917, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=12.72, r4=13.47,
igr1=1400,1401,1402, 412, 413, 414, 416, 417, 418,
igr2=1868,1869,1868,1869,
&end
#
# 121 ARG HA 121 ARG HB+ 5.50 (# 1918:20 Unique 2.43, 2.76 A)
&rst
ixpk= 1918, nxpk= 20, iat=1866, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1868,1869,
&end
#
# 18 ARG HD- 18 ARG HB- 7.00 (# 1919:20 Unique 2.40, 2.99 A)
&rst
ixpk= 1919, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 276, 277,
igr2= 270, 271,
&end
#
# 19 LEU HN 18 ARG HB- 5.50 (# 1920:20 Unique 2.25, 3.59 A)
&rst
ixpk= 1920, nxpk= 20, iat= 290, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 270, 271,
&end
#
# 7 GLU HN 0 AMB 20-1:1921 7.00 (# 1921:20 Single Ambig)
&rst
ixpk= 1921, nxpk= 20, iat= 90, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr2= 94, 95, 77, 78,
&end
#
# 116 PHE HN 115 HIS HB+ 4.50 (# 1922:20 Unique 2.59, 3.35 A)
&rst
ixpk= 1922, nxpk= 20, iat=1778, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1765,1766,
&end
#
# 0 AMB 20-2:1923 0 AMB 20-1:1923 5.50 (# 1923:20 Double Ambig)
&rst
ixpk= 1923, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1=1447,1448,1447,1448,1436,1437,1436,1437,
igr2=1490,1491,1490,1491,1490,1491,
&end
#
# 82 HIS HD2 82 HIS HB+ 5.50 (# 1924:20 Unique 2.52, 3.17 A)
&rst
ixpk= 1924, nxpk= 20, iat=1238, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1229,1230,
&end
#
# 82 HIS HD2 82 HIS HB- 5.50 (# 1925:20 Unique 2.52, 3.17 A)
&rst
ixpk= 1925, nxpk= 20, iat=1238, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1229,1230,
&end
#
# 62 ARG HA 34 ILE HG1- 4.50 (# 1926:20 Unique 2.49, 3.16 A)
&rst
ixpk= 1926, nxpk= 20, iat= 919, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 535, 536,
&end
#
# 0 AMB 20-2:1927 34 ILE HG1- 5.50 (# 1927:20 Single Ambig)
&rst
ixpk= 1927, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 525, 544,
igr2= 535, 536,
&end
#
# 62 ARG HA 34 ILE HG1+ 5.50 (# 1928:20 Unique 2.49, 3.16 A)
&rst
ixpk= 1928, nxpk= 20, iat= 919, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 535, 536,
&end
#
# 34 ILE HA 34 ILE HG1+ 4.50 (# 1929:20 Unique 2.30, 2.60 A)
&rst
ixpk= 1929, nxpk= 20, iat= 527, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 535, 536,
&end
#
# 0 AMB 20-2:1930 0 AMB 20-1:1930 5.50 (# 1930:20 Double Ambig)
&rst
ixpk= 1930, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 525, 544,
igr2= 535, 536, 535, 536,
&end
#
# 0 AMB 20-2:1933 0 AMB 20-1:1933 7.00 (# 1933:20 Double Ambig)
&rst
ixpk= 1933, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.11, r4=11.86,
igr1=1319,1320,1261,1262,
igr2=1282,1283,1282,1283,
&end
#
# 69 VAL MGY 72 CYS HB+ 5.50 (# 1935:20 Unique 2.30, 5.66 A)
&rst
ixpk= 1935, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1048,1049,1050,1052,1053,1054,
igr2=1076,1077,
&end
#
# 0 AMB 20-2:1936 90 GLU HB- 5.50 (# 1936:20 Single Ambig)
&rst
ixpk= 1936, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1353,1354,1355,1357,1358,1359,1384,1385,1386,1388,
1389,1390,
igr2=1367,1368,
&end
#
# 60 VAL MGX 102 GLN HB- 7.00 (# 1937:20 Unique 2.86, 5.47 A)
&rst
ixpk= 1937, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 885, 886, 887, 889, 890, 891,
igr2=1545,1546,
&end
#
# 103 LYS HN 102 GLN HB- 2.80 (# 1939:20 Unique 2.39, 3.21 A)
&rst
ixpk= 1939, nxpk= 20, iat=1558, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1545,1546,
&end
#
# 28 ILE QD1 62 ARG HG+ 3.50 (# 1940:20 Unique 2.54, 4.08 A)
&rst
ixpk= 1940, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 456, 457, 458,
igr2= 924, 925,
&end
#
# 93 ILE HB 93 ILE HG1- 3.50 (# 1941:20 Unique 2.09, 2.73 A)
&rst
ixpk= 1941, nxpk= 20, iat=1417, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1423,1424,
&end
#
# 90 GLU HA 93 ILE HG1- 5.50 (# 1942:20 Unique 3.10, 4.83 A)
&rst
ixpk= 1942, nxpk= 20, iat=1365, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1423,1424,
&end
#
# 94 SER HN 93 ILE HG1+ 5.50 (# 1943:20 Unique 4.60, 4.90 A)
&rst
ixpk= 1943, nxpk= 20, iat=1432, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1423,1424,
&end
#
# 64 ARG HB- 64 ARG HG- 2.80 (# 1945:20 Unique 2.32, 2.77 A)
&rst
ixpk= 1945, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 960, 961,
igr2= 963, 964,
&end
#
# 26 LEU HB- 26 LEU HG 2.80 (# 1946:20 Unique 2.34, 2.40 A)
&rst
ixpk= 1946, nxpk= 20, iat= -1, 410, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 407, 408,
&end
#
# 0 AMB 20-2:1947 26 LEU HG 5.50 (# 1947:20 Single Ambig)
&rst
ixpk= 1947, nxpk= 20, iat= -1, 410, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 157, 158,1396,
&end
#
# 93 ILE HA 26 LEU HG 5.50 (# 1948:20 Unique 4.16, 4.41 A)
&rst
ixpk= 1948, nxpk= 20, iat=1415, 410, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:1949 26 LEU HG 4.50 (# 1949:20 Single Ambig)
&rst
ixpk= 1949, nxpk= 20, iat= -1, 410, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1456,1800,
&end
#
# 26 LEU HA 26 LEU HG 4.50 (# 1950:20 Unique 3.81, 3.83 A)
&rst
ixpk= 1950, nxpk= 20, iat= 405, 410, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 57 SER HB- 39 PRO HG+ 5.50 (# 1952:20 Unique 4.99, 6.76 A)
&rst
ixpk= 1952, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 847, 848,
igr2= 608, 609,
&end
#
# 7 GLU HA 8 PRO HG+ 5.50 (# 1953:20 Unique 4.30, 4.51 A)
&rst
ixpk= 1953, nxpk= 20, iat= 92, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 109, 110,
&end
#
# 74 TYR HE 0 AMB 20-1:1954 5.50 (# 1954:20 Single Ambig)
&rst
ixpk= 1954, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1104,1109,
igr2= 109, 110, 203, 204,
&end
#
# 0 AMB 20-2:1955 0 AMB 20-1:1955 5.50 (# 1955:20 Double Ambig)
&rst
ixpk= 1955, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.70, r4=10.45,
igr1= 155, 393, 119,
igr2= 412, 413, 414, 416, 417, 418, 203, 204, 109, 110,
&end
#
# 28 ILE HN 28 ILE HG1+ 4.50 (# 1956:20 Unique 2.15, 2.71 A)
&rst
ixpk= 1956, nxpk= 20, iat= 443, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 453, 454,
&end
#
# 97 LYS HN 97 LYS HG- 4.50 (# 1957:20 Unique 2.37, 3.05 A)
&rst
ixpk= 1957, nxpk= 20, iat=1464, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1471,1472,
&end
#
# 79 SER HN 13 LEU MDY 7.00 (# 1958:20 Unique 2.38, 5.60 A)
&rst
ixpk= 1958, nxpk= 20, iat=1183, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr2= 183, 184, 185, 187, 188, 189,
&end
#
# 24 TRP HD1 13 LEU MDY 4.50 (# 1959:20 Unique 4.54, 6.26 A)
&rst
ixpk= 1959, nxpk= 20, iat= 377, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 183, 184, 185, 187, 188, 189,
&end
#
# 13 LEU HN 13 LEU MDY 5.50 (# 1960:20 Unique 2.35, 4.45 A)
&rst
ixpk= 1960, nxpk= 20, iat= 174, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 183, 184, 185, 187, 188, 189,
&end
#
# 8 PRO HA 8 PRO HG- 5.50 (# 1963:20 Unique 2.96, 3.94 A)
&rst
ixpk= 1963, nxpk= 20, iat= 115, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 109, 110,
&end
#
# 7 GLU HA 8 PRO HG- 5.50 (# 1964:20 Unique 4.30, 4.51 A)
&rst
ixpk= 1964, nxpk= 20, iat= 92, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 109, 110,
&end
#
# 97 LYS HE- 97 LYS HG+ 5.50 (# 1966:20 Unique 2.42, 2.81 A)
&rst
ixpk= 1966, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1477,1478,
igr2=1471,1472,
&end
#
# 99 MET ME 120 LEU MDY 7.00 (# 1967:20 Unique 3.17, 5.84 A)
&rst
ixpk= 1967, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.33, r4=12.08,
igr1=1512,1513,1514,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 0 AMB 20-2:1968 120 LEU MDY 5.50 (# 1968:20 Single Ambig)
&rst
ixpk= 1968, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1505,1506,1802,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 26 LEU HB- 120 LEU MDY 7.00 (# 1969:20 Unique 2.19, 4.75 A)
&rst
ixpk= 1969, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 407, 408,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 116 PHE HD 120 LEU MDY 7.00 (# 1970:20 Unique 3.74, 5.67 A)
&rst
ixpk= 1970, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1=1786,1794,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 121 ARG HN 120 LEU MDY 7.00 (# 1971:20 Unique 5.06, 5.84 A)
&rst
ixpk= 1971, nxpk= 20, iat=1864, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 96 ALA HN 120 LEU MDY 5.50 (# 1972:20 Unique 3.20, 4.64 A)
&rst
ixpk= 1972, nxpk= 20, iat=1454, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 117 VAL HB 26 LEU MDX 4.50 (# 1973:20 Unique 2.67, 5.23 A)
&rst
ixpk= 1973, nxpk= 20, iat=1802, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 412, 413, 414, 416, 417, 418,
&end
#
# 11 GLY HA- 26 LEU MDX 3.50 (# 1974:20 Unique 2.32, 4.40 A)
&rst
ixpk= 1974, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 157, 158,
igr2= 412, 413, 414, 416, 417, 418,
&end
#
# 0 AMB 20-2:1975 26 LEU MDX 5.50 (# 1975:20 Single Ambig)
&rst
ixpk= 1975, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1800,1456,
igr2= 412, 413, 414, 416, 417, 418,
&end
#
# 11 GLY HA+ 26 LEU MDX 3.50 (# 1976:20 Unique 2.32, 4.40 A)
&rst
ixpk= 1976, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 157, 158,
igr2= 412, 413, 414, 416, 417, 418,
&end
#
# 26 LEU HA 26 LEU MDX 2.80 (# 1977:20 Unique 2.22, 3.42 A)
&rst
ixpk= 1977, nxpk= 20, iat= 405, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 412, 413, 414, 416, 417, 418,
&end
#
# 13 LEU HA 26 LEU MDX 5.50 (# 1978:20 Unique 3.22, 5.22 A)
&rst
ixpk= 1978, nxpk= 20, iat= 176, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 412, 413, 414, 416, 417, 418,
&end
#
# 116 PHE HB- 36 LEU MDY 5.50 (# 1979:20 Unique 2.39, 4.66 A)
&rst
ixpk= 1979, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1782,1783,
igr2= 570, 571, 572, 574, 575, 576,
&end
#
# 60 VAL HA 36 LEU MDY 4.50 (# 1980:20 Unique 2.36, 4.86 A)
&rst
ixpk= 1980, nxpk= 20, iat= 881, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 570, 571, 572, 574, 575, 576,
&end
#
# 113 CYS HA 36 LEU MDY 3.50 (# 1981:20 Preassigned 2.13, 4.51 A)
&rst
ixpk= 1981, nxpk= 20, iat=1737, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 570, 571, 572, 574, 575, 576,
&end
#
# 103 LYS HN 103 LYS HG+ 4.50 (# 1983:20 Unique 2.70, 3.55 A)
&rst
ixpk= 1983, nxpk= 20, iat=1558, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1565,1566,
&end
#
# 0 AMB 20-2:1984 0 AMB 20-1:1984 4.50 (# 1984:20 Double Ambig)
&rst
ixpk= 1984, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 879,1580,
igr2=1565,1566,1565,1566,
&end
#
# 59 GLU HA 103 LYS HG- 5.50 (# 1985:20 Unique 2.34, 3.33 A)
&rst
ixpk= 1985, nxpk= 20, iat= 866, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1565,1566,
&end
#
# 62 ARG HN 61 LYS HG- 7.00 (# 1987:20 Unique 3.16, 4.35 A)
&rst
ixpk= 1987, nxpk= 20, iat= 917, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 902, 903,
&end
#
# 27 TYR HB- 65 LEU MDX 7.00 (# 1990:20 Unique 3.68, 6.52 A)
&rst
ixpk= 1990, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 426, 427,
igr2= 989, 990, 991, 993, 994, 995,
&end
#
# 0 AMB 20-2:1991 65 LEU MDX 7.00 (# 1991:20 Single Ambig)
&rst
ixpk= 1991, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.89, r4=12.64,
igr1= 106, 107, 426, 427,
igr2= 989, 990, 991, 993, 994, 995,
&end
#
# 68 VAL HB 65 LEU MDX 5.50 (# 1992:20 Unique 2.85, 5.56 A)
&rst
ixpk= 1992, nxpk= 20, iat=1030, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 989, 990, 991, 993, 994, 995,
&end
#
# 61 LYS HA 100 VAL MGX 4.50 (# 1993:20 Unique 2.30, 3.85 A)
&rst
ixpk= 1993, nxpk= 20, iat= 897, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1524,1525,1526,1528,1529,1530,
&end
#
# 100 VAL HN 100 VAL MGX 3.50 (# 1994:20 Unique 2.16, 3.93 A)
&rst
ixpk= 1994, nxpk= 20, iat=1518, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1524,1525,1526,1528,1529,1530,
&end
#
# 99 MET HN 100 VAL MGX 5.50 (# 1995:20 Unique 4.34, 6.44 A)
&rst
ixpk= 1995, nxpk= 20, iat=1501, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1524,1525,1526,1528,1529,1530,
&end
#
# 24 TRP HB+ 117 VAL MGX 5.50 (# 1996:20 Unique 2.18, 3.81 A)
&rst
ixpk= 1996, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 373, 374,
igr2=1804,1805,1806,1808,1809,1810,
&end
#
# 120 LEU MDX 117 VAL MGX 7.00 (# 1997:20 Unique 2.62, 6.67 A)
&rst
ixpk= 1997, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=12.72, r4=13.47,
igr1=1854,1855,1856,1858,1859,1860,
igr2=1804,1805,1806,1808,1809,1810,
&end
#
# 35 HIS HA 117 VAL MGX 4.50 (# 1998:20 Unique 3.16, 5.25 A)
&rst
ixpk= 1998, nxpk= 20, iat= 546, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1804,1805,1806,1808,1809,1810,
&end
#
# 26 LEU HA 117 VAL MGX 4.50 (# 1999:20 Unique 3.89, 5.38 A)
&rst
ixpk= 1999, nxpk= 20, iat= 405, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1804,1805,1806,1808,1809,1810,
&end
#
# 0 AMB 20-2:2002 124 LYS HG- 4.50 (# 2002:20 Single Ambig)
&rst
ixpk= 2002, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1929,1930,1929,1930,
igr2=1923,1924,
&end
#
# 89 VAL HN 89 VAL MGX 4.50 (# 2003:20 Unique 2.26, 3.90 A)
&rst
ixpk= 2003, nxpk= 20, iat=1347, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1353,1354,1355,1357,1358,1359,
&end
#
# 26 LEU HN 25 ALA MB 2.80 (# 2004:20 Unique 2.66, 3.52 A)
&rst
ixpk= 2004, nxpk= 20, iat= 403, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 397, 398, 399,
&end
#
# 0 AMB 20-2:2005 0 AMB 20-1:2005 3.50 (# 2005:20 Double Ambig)
&rst
ixpk= 2005, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1363, 393,
igr2=1353,1354,1355,1357,1358,1359, 397, 398, 399,
&end
#
# 14 ILE HN 25 ALA MB 5.50 (# 2006:20 Unique 3.63, 4.70 A)
&rst
ixpk= 2006, nxpk= 20, iat= 193, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 397, 398, 399,
&end
#
# 35 HIS HA 25 ALA MB 4.50 (# 2007:20 Unique 3.83, 4.62 A)
&rst
ixpk= 2007, nxpk= 20, iat= 546, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 397, 398, 399,
&end
#
# 88 PRO HB- 91 VAL MGX 5.50 (# 2009:20 Unique 2.33, 5.47 A)
&rst
ixpk= 2009, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1340,1341,
igr2=1384,1385,1386,1388,1389,1390,
&end
#
# 67 ASP HB+ 68 VAL MGY 5.50 (# 2010:20 Unique 3.17, 6.29 A)
&rst
ixpk= 2010, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1018,1019,
igr2=1032,1033,1034,1036,1037,1038,
&end
#
# 0 AMB 20-2:2011 25 ALA MB 5.50 (# 2011:20 Single Ambig)
&rst
ixpk= 2011, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 525, 544,
igr2= 397, 398, 399,
&end
#
# 80 LEU MDX 118 THR MG2 2.80 (# 2013:20 Unique 2.20, 4.47 A)
&rst
ixpk= 2013, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1203,1204,1205,1207,1208,1209,
igr2=1820,1821,1822,
&end
#
# 91 VAL HN 91 VAL MGX 2.80 (# 2014:20 Unique 2.17, 3.89 A)
&rst
ixpk= 2014, nxpk= 20, iat=1378, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1384,1385,1386,1388,1389,1390,
&end
#
# 77 ASN HN 76 VAL MGY 3.50 (# 2015:20 Unique 2.70, 4.15 A)
&rst
ixpk= 2015, nxpk= 20, iat=1155, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1145,1146,1147,1149,1150,1151,
&end
#
# 78 ASN HN 76 VAL MGY 4.50 (# 2016:20 Unique 2.66, 5.38 A)
&rst
ixpk= 2016, nxpk= 20, iat=1169, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1145,1146,1147,1149,1150,1151,
&end
#
# 0 AMB 20-2:2017 76 VAL MGY 4.50 (# 2017:20 Single Ambig)
&rst
ixpk= 2017, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1157, 164,
igr2=1145,1146,1147,1149,1150,1151,
&end
#
# 61 LYS HE+ 37 ALA MB 3.50 (# 2020:20 Unique 1.95, 3.98 A)
&rst
ixpk= 2020, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 908, 909,
igr2= 584, 585, 586,
&end
#
# 59 GLU HB- 37 ALA MB 3.50 (# 2021:20 Preassigned 2.50, 4.72 A)
&rst
ixpk= 2021, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 868, 869,
igr2= 584, 585, 586,
&end
#
# 65 LEU HA 33 VAL MGY 3.50 (# 2022:20 Unique 2.42, 3.46 A)
&rst
ixpk= 2022, nxpk= 20, iat= 982, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 515, 516, 517, 519, 520, 521,
&end
#
# 32 TYR HA 33 VAL MGY 3.50 (# 2023:20 Unique 3.62, 4.90 A)
&rst
ixpk= 2023, nxpk= 20, iat= 490, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 515, 516, 517, 519, 520, 521,
&end
#
# 33 VAL HA 33 VAL MGY 3.50 (# 2024:20 Unique 2.36, 3.51 A)
&rst
ixpk= 2024, nxpk= 20, iat= 511, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 515, 516, 517, 519, 520, 521,
&end
#
# 0 AMB 20-2:2025 0 AMB 20-1:2025 2.80 (# 2025:20 Double Ambig)
&rst
ixpk= 2025, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1044,1415,
igr2= 233, 234, 235, 449, 450, 451,
&end
#
# 16 ILE HA 16 ILE QG2 3.50 (# 2026:20 Unique 2.47, 3.10 A)
&rst
ixpk= 2026, nxpk= 20, iat= 229, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 233, 234, 235,
&end
#
# 0 AMB 20-2:2027 92 ILE QG2 4.50 (# 2027:20 Single Ambig)
&rst
ixpk= 2027, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1415,1349,
igr2=1400,1401,1402,
&end
#
# 11 GLY HA+ 92 ILE QG2 4.50 (# 2028:20 Unique 2.44, 4.43 A)
&rst
ixpk= 2028, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 157, 158,
igr2=1400,1401,1402,
&end
#
# 0 AMB 20-2:2029 92 ILE QG2 4.50 (# 2029:20 Single Ambig)
&rst
ixpk= 2029, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1413, 162,
igr2=1400,1401,1402,
&end
#
# 28 ILE HB 93 ILE QG2 3.50 (# 2031:20 Unique 2.70, 3.73 A)
&rst
ixpk= 2031, nxpk= 20, iat= 447, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1419,1420,1421,
&end
#
# 75 ARG HN 14 ILE QG2 5.50 (# 2032:20 Unique 3.02, 3.86 A)
&rst
ixpk= 2032, nxpk= 20, iat=1115, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 199, 200, 201,
&end
#
# 74 TYR HE 14 ILE QG2 4.50 (# 2033:20 Unique 3.58, 6.08 A)
&rst
ixpk= 2033, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1104,1109,
igr2= 199, 200, 201,
&end
#
# 0 AMB 20-2:2034 14 ILE QG2 7.00 (# 2034:20 Single Ambig)
&rst
ixpk= 2034, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.99, r4=11.74,
igr1= 214, 426, 427, 106, 107,
igr2= 199, 200, 201,
&end
#
# 25 ALA HN 16 ILE QD1 5.50 (# 2035:20 Unique 4.09, 5.20 A)
&rst
ixpk= 2035, nxpk= 20, iat= 393, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 240, 241, 242,
&end
#
# 14 ILE HG1+ 16 ILE QD1 5.50 (# 2036:20 Unique 4.39, 6.94 A)
&rst
ixpk= 2036, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 203, 204,
igr2= 240, 241, 242,
&end
#
# 69 VAL HB 16 ILE QD1 5.50 (# 2037:20 Unique 2.93, 4.82 A)
&rst
ixpk= 2037, nxpk= 20, iat=1046, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 240, 241, 242,
&end
#
# 23 HIS HB- 16 ILE QD1 5.50 (# 2038:20 Unique 2.59, 4.90 A)
&rst
ixpk= 2038, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 356, 357,
igr2= 240, 241, 242,
&end
#
# 16 ILE HA 16 ILE QD1 5.50 (# 2039:20 Unique 4.44, 4.75 A)
&rst
ixpk= 2039, nxpk= 20, iat= 229, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 240, 241, 242,
&end
#
# 0 AMB 20-2:2040 92 ILE QD1 5.50 (# 2040:20 Single Ambig)
&rst
ixpk= 2040, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1311,1343,1305,
igr2=1407,1408,1409,
&end
#
# 0 AMB 20-2:2042 28 ILE QD1 5.50 (# 2042:20 Single Ambig)
&rst
ixpk= 2042, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1468,1469,1468,1469,
igr2= 456, 457, 458,
&end
#
# 0 AMB 20-2:2043 28 ILE QD1 4.50 (# 2043:20 Single Ambig)
&rst
ixpk= 2043, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 445, 464, 465,
igr2= 456, 457, 458,
&end
#
# 0 AMB 20-2:2045 28 ILE QD1 4.50 (# 2045:20 Single Ambig)
&rst
ixpk= 2045, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 496, 505, 469,
igr2= 456, 457, 458,
&end
#
# 0 AMB 20-2:2046 28 ILE QD1 5.50 (# 2046:20 Single Ambig)
&rst
ixpk= 2046, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 443,1464,
igr2= 456, 457, 458,
&end
#
# 0 AMB 20-2:2047 34 ILE QD1 4.50 (# 2047:20 Single Ambig)
&rst
ixpk= 2047, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 544, 525,
igr2= 538, 539, 540,
&end
#
# 100 VAL HN 34 ILE QD1 5.50 (# 2048:20 Unique 3.72, 4.91 A)
&rst
ixpk= 2048, nxpk= 20, iat=1518, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 538, 539, 540,
&end
#
# 96 ALA HA 34 ILE QD1 4.50 (# 2049:20 Unique 3.96, 4.73 A)
&rst
ixpk= 2049, nxpk= 20, iat=1456, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 538, 539, 540,
&end
#
# 11 GLY HA- 93 ILE QD1 5.50 (# 2051:20 Unique 2.83, 4.53 A)
&rst
ixpk= 2051, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 157, 158,
igr2=1426,1427,1428,
&end
#
# 12 ASP HB- 14 ILE QD1 5.50 (# 2052:20 Unique 3.17, 5.24 A)
&rst
ixpk= 2052, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 166, 167,
igr2= 206, 207, 208,
&end
#
# 8 PRO HA 14 ILE QD1 4.50 (# 2053:20 Unique 4.00, 5.47 A)
&rst
ixpk= 2053, nxpk= 20, iat= 115, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 206, 207, 208,
&end
#
# 27 TYR HA 14 ILE QD1 5.50 (# 2054:20 Unique 4.13, 4.96 A)
&rst
ixpk= 2054, nxpk= 20, iat= 424, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 206, 207, 208,
&end
#
# 15 GLU HN 14 ILE QD1 5.50 (# 2055:20 Unique 4.44, 5.98 A)
&rst
ixpk= 2055, nxpk= 20, iat= 212, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 206, 207, 208,
&end
#
# 14 ILE HN 14 ILE QD1 7.00 (# 2056:20 Unique 3.59, 4.94 A)
&rst
ixpk= 2056, nxpk= 20, iat= 193, -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr2= 206, 207, 208,
&end
#
# 6 GLN HG+ 6 GLN HB+ 2.80 (# 2059:20 Unique 2.32, 2.76 A)
&rst
ixpk= 2059, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 80, 81,
igr2= 77, 78,
&end
#
# 6 GLN HA 6 GLN HG+ 2.80 (# 2060:20 Unique 2.52, 2.91 A)
&rst
ixpk= 2060, nxpk= 20, iat= 75, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 80, 81,
&end
#
# 7 GLU HN 7 GLU HA 7.00 (# 2061:20 Unique 2.86, 2.94 A)
&rst
ixpk= 2061, nxpk= 20, iat= 90, 92, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 7 GLU HB- 7 GLU HG- 2.80 (# 2062:20 Unique 2.43, 2.77 A)
&rst
ixpk= 2062, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 94, 95,
igr2= 97, 98,
&end
#
# 7 GLU HB- 7 GLU HG+ 2.80 (# 2063:20 Unique 2.43, 2.77 A)
&rst
ixpk= 2063, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 94, 95,
igr2= 97, 98,
&end
#
# 8 PRO HB+ 8 PRO HD- 7.00 (# 2065:20 Unique 2.83, 3.69 A)
&rst
ixpk= 2065, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 112, 113,
igr2= 106, 107,
&end
#
# 8 PRO HB- 8 PRO HD- 4.50 (# 2066:20 Unique 2.83, 3.69 A)
&rst
ixpk= 2066, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 112, 113,
igr2= 106, 107,
&end
#
# 10 PRO HA 9 LYS HD- 5.50 (# 2067:20 Unique 4.46, 6.08 A)
&rst
ixpk= 2067, nxpk= 20, iat= 151, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 129, 130,
&end
#
# 9 LYS HA 9 LYS HD- 4.50 (# 2069:20 Unique 2.12, 2.80 A)
&rst
ixpk= 2069, nxpk= 20, iat= 121, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 129, 130,
&end
#
# 0 AMB 20-2:2071 9 LYS HA 3.50 (# 2071:20 Single Ambig)
&rst
ixpk= 2071, nxpk= 20, iat= -1, 121, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 126, 127, 126, 127,
&end
#
# 9 LYS HB- 9 LYS HA 3.50 (# 2072:20 Unique 2.21, 2.77 A)
&rst
ixpk= 2072, nxpk= 20, iat= -1, 121, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 123, 124,
&end
#
# 0 AMB 20-2:2073 0 AMB 20-1:2073 2.80 (# 2073:20 Double Ambig)
&rst
ixpk= 2073, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 126, 127, 126, 127,
igr2= 123, 124, 123, 124,
&end
#
# 0 AMB 20-2:2074 9 LYS HB- 2.80 (# 2074:20 Single Ambig)
&rst
ixpk= 2074, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 126, 127, 126, 127,
igr2= 123, 124,
&end
#
# 10 PRO HD- 10 PRO HB- 3.50 (# 2075:20 Unique 2.76, 3.66 A)
&rst
ixpk= 2075, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 142, 143,
igr2= 148, 149,
&end
#
# 0 AMB 20-2:2076 0 AMB 20-1:2076 4.50 (# 2076:20 Double Ambig)
&rst
ixpk= 2076, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 142, 143,1296,1297,
igr2= 148, 149,1302,1303,
&end
#
# 86 PRO HA 86 PRO HB+ 2.80 (# 2077:20 Unique 2.27, 2.61 A)
&rst
ixpk= 2077, nxpk= 20, iat=1305, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1302,1303,
&end
#
# 14 ILE QD1 12 ASP HB- 7.00 (# 2079:20 Unique 3.17, 5.24 A)
&rst
ixpk= 2079, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 206, 207, 208,
igr2= 166, 167,
&end
#
# 8 PRO HB+ 12 ASP HB- 7.00 (# 2080:20 Unique 2.57, 3.73 A)
&rst
ixpk= 2080, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 112, 113,
igr2= 166, 167,
&end
#
# 13 LEU MDX 13 LEU HA 3.50 (# 2082:20 Unique 2.09, 3.79 A)
&rst
ixpk= 2082, nxpk= 20, iat= -1, 176, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 183, 184, 185, 187, 188, 189,
&end
#
# 13 LEU HA 13 LEU MDX 3.50 (# 2083:20 Unique 2.09, 3.79 A)
&rst
ixpk= 2083, nxpk= 20, iat= 176, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 183, 184, 185, 187, 188, 189,
&end
#
# 0 AMB 20-2:2086 15 GLU HG- 4.50 (# 2086:20 Single Ambig)
&rst
ixpk= 2086, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1159,1160, 214,
igr2= 219, 220,
&end
#
# 0 AMB 20-2:2087 0 AMB 20-1:2087 4.50 (# 2087:20 Double Ambig)
&rst
ixpk= 2087, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1159,1160, 214,
igr2= 219, 220, 219, 220,
&end
#
# 16 ILE HN 15 GLU HG- 7.00 (# 2088:20 Unique 2.98, 4.24 A)
&rst
ixpk= 2088, nxpk= 20, iat= 227, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 219, 220,
&end
#
# 16 ILE HN 15 GLU HG+ 5.50 (# 2089:20 Unique 2.98, 4.24 A)
&rst
ixpk= 2089, nxpk= 20, iat= 227, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 219, 220,
&end
#
# 15 GLU HB+ 15 GLU HG- 4.50 (# 2090:20 Unique 2.35, 2.76 A)
&rst
ixpk= 2090, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 216, 217,
igr2= 219, 220,
&end
#
# 15 GLU HB+ 15 GLU HG+ 4.50 (# 2091:20 Unique 2.35, 2.76 A)
&rst
ixpk= 2091, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 216, 217,
igr2= 219, 220,
&end
#
# 17 PHE HD 16 ILE HA 5.50 (# 2092:20 Unique 3.09, 4.84 A)
&rst
ixpk= 2092, nxpk= 20, iat= -1, 229, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 254, 262,
&end
#
# 23 HIS HB+ 16 ILE HB 4.50 (# 2093:20 Unique 2.29, 3.06 A)
&rst
ixpk= 2093, nxpk= 20, iat= -1, 231, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 356, 357,
&end
#
# 23 HIS HB- 16 ILE HB 5.50 (# 2094:20 Unique 2.29, 3.06 A)
&rst
ixpk= 2094, nxpk= 20, iat= -1, 231, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 356, 357,
&end
#
# 19 LEU HA 19 LEU HB+ 3.50 (# 2095:20 Unique 2.45, 2.79 A)
&rst
ixpk= 2095, nxpk= 20, iat= 292, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 294, 295,
&end
#
# 19 LEU HN 19 LEU HB+ 4.50 (# 2097:20 Unique 2.30, 2.76 A)
&rst
ixpk= 2097, nxpk= 20, iat= 290, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 294, 295,
&end
#
# 23 HIS HN 16 ILE HB 5.50 (# 2098:20 Unique 2.72, 3.16 A)
&rst
ixpk= 2098, nxpk= 20, iat= 352, 231, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 16 ILE HN 16 ILE HG1+ 5.50 (# 2099:20 Unique 2.44, 3.34 A)
&rst
ixpk= 2099, nxpk= 20, iat= 227, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 237, 238,
&end
#
# 16 ILE HA 16 ILE HG1+ 5.50 (# 2100:20 Unique 2.51, 2.90 A)
&rst
ixpk= 2100, nxpk= 20, iat= 229, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 237, 238,
&end
#
# 17 PHE HD 17 PHE HB+ 3.50 (# 2101:20 Unique 2.35, 3.09 A)
&rst
ixpk= 2101, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 254, 262,
igr2= 250, 251,
&end
#
# 18 ARG HG- 18 ARG HB+ 5.50 (# 2102:20 Unique 2.38, 2.77 A)
&rst
ixpk= 2102, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 273, 274,
igr2= 270, 271,
&end
#
# 19 LEU HN 18 ARG HB+ 5.50 (# 2103:20 Unique 2.25, 3.59 A)
&rst
ixpk= 2103, nxpk= 20, iat= 290, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 270, 271,
&end
#
# 18 ARG HN 18 ARG HB+ 7.00 (# 2104:20 Unique 2.28, 2.73 A)
&rst
ixpk= 2104, nxpk= 20, iat= 266, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 270, 271,
&end
#
# 121 ARG HN 121 ARG HB- 4.50 (# 2105:20 Unique 2.42, 2.64 A)
&rst
ixpk= 2105, nxpk= 20, iat=1864, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1868,1869,
&end
#
# 18 ARG HA 18 ARG HB+ 5.50 (# 2106:20 Unique 2.34, 2.75 A)
&rst
ixpk= 2106, nxpk= 20, iat= 268, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 270, 271,
&end
#
# 32 TYR HD 62 ARG HG- 4.50 (# 2108:20 Unique 2.28, 4.68 A)
&rst
ixpk= 2108, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 496, 505,
igr2= 924, 925,
&end
#
# 32 TYR HD 62 ARG HG+ 4.50 (# 2109:20 Unique 2.28, 4.68 A)
&rst
ixpk= 2109, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 496, 505,
igr2= 924, 925,
&end
#
# 19 LEU HN 19 LEU HA 3.50 (# 2111:20 Unique 2.81, 2.85 A)
&rst
ixpk= 2111, nxpk= 20, iat= 290, 292, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 22 GLU HA 22 GLU HB- 4.50 (# 2112:20 Unique 2.33, 2.70 A)
&rst
ixpk= 2112, nxpk= 20, iat= 339, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 341, 342,
&end
#
# 22 GLU HB- 22 GLU HG+ 2.80 (# 2113:20 Unique 2.24, 2.63 A)
&rst
ixpk= 2113, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 341, 342,
igr2= 344, 345,
&end
#
# 23 HIS HN 23 HIS HA 4.50 (# 2114:20 Unique 2.95, 2.98 A)
&rst
ixpk= 2114, nxpk= 20, iat= 352, 354, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 117 VAL MGX 24 TRP HB- 5.50 (# 2115:20 Unique 2.18, 3.81 A)
&rst
ixpk= 2115, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1804,1805,1806,1808,1809,1810,
igr2= 373, 374,
&end
#
# 0 AMB 20-2:2116 99 MET HG- 3.50 (# 2116:20 Single Ambig)
&rst
ixpk= 2116, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
igr1=1512,1513,1514,1490,1491,
igr2=1508,1509,
&end
#
# 99 MET HB- 99 MET HG- 2.80 (# 2117:20 Unique 2.37, 2.65 A)
&rst
ixpk= 2117, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1505,1506,
igr2=1508,1509,
&end
#
# 120 LEU MDY 26 LEU HG 3.50 (# 2118:20 Unique 2.28, 4.12 A)
&rst
ixpk= 2118, nxpk= 20, iat= -1, 410, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1854,1855,1856,1858,1859,1860,
&end
#
# 26 LEU HB- 26 LEU MDX 3.50 (# 2119:20 Unique 2.41, 3.55 A)
&rst
ixpk= 2119, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 407, 408,
igr2= 412, 413, 414, 416, 417, 418,
&end
#
# 11 GLY HN 26 LEU MDX 4.50 (# 2121:20 Unique 2.89, 4.67 A)
&rst
ixpk= 2121, nxpk= 20, iat= 155, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 412, 413, 414, 416, 417, 418,
&end
#
# 6 GLN HE2- 77 ASN HB- 5.50 (# 2122:20 Unique 4.99, 7.33 A)
&rst
ixpk= 2122, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 85, 86,
igr2=1159,1160,
&end
#
# 28 ILE HB 28 ILE HA 3.50 (# 2123:20 Unique 2.35, 2.39 A)
&rst
ixpk= 2123, nxpk= 20, iat= 447, 445, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 93 ILE HG1- 28 ILE HA 5.50 (# 2124:20 Unique 2.36, 3.25 A)
&rst
ixpk= 2124, nxpk= 20, iat= -1, 445, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1423,1424,
&end
#
# 0 AMB 20-2:2126 28 ILE HA 2.80 (# 2126:20 Single Ambig)
&rst
ixpk= 2126, nxpk= 20, iat= -1, 445, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 449, 450, 451,1426,1427,1428,
&end
#
# 0 AMB 20-2:2127 28 ILE HA 5.50 (# 2127:20 Single Ambig)
&rst
ixpk= 2127, nxpk= 20, iat= -1, 445, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 453, 454, 456, 457, 458,
&end
#
# 10 PRO HB+ 28 ILE HA 5.50 (# 2128:20 Unique 3.16, 4.51 A)
&rst
ixpk= 2128, nxpk= 20, iat= -1, 445, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 148, 149,
&end
#
# 28 ILE HN 28 ILE HA 5.50 (# 2129:20 Unique 3.00, 3.01 A)
&rst
ixpk= 2129, nxpk= 20, iat= 443, 445, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 11 GLY HN 28 ILE HA 4.50 (# 2130:20 Unique 2.93, 3.13 A)
&rst
ixpk= 2130, nxpk= 20, iat= 155, 445, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 28 ILE HB 28 ILE HG1- 4.50 (# 2132:20 Unique 2.46, 2.79 A)
&rst
ixpk= 2132, nxpk= 20, iat= 447, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 453, 454,
&end
#
# 32 TYR HN 32 TYR HB+ 5.50 (# 2134:20 Unique 2.27, 2.97 A)
&rst
ixpk= 2134, nxpk= 20, iat= 488, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 492, 493,
&end
#
# 27 TYR HD 33 VAL HA 5.50 (# 2135:20 Unique 3.10, 5.12 A)
&rst
ixpk= 2135, nxpk= 20, iat= -1, 511, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 430, 439,
&end
#
# 65 LEU HB- 33 VAL MGY 7.00 (# 2136:20 Unique 2.23, 4.46 A)
&rst
ixpk= 2136, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 984, 985,
igr2= 515, 516, 517, 519, 520, 521,
&end
#
# 33 VAL MGY 34 ILE HA 5.50 (# 2137:20 Unique 3.88, 5.82 A)
&rst
ixpk= 2137, nxpk= 20, iat= -1, 527, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 515, 516, 517, 519, 520, 521,
&end
#
# 26 LEU HB+ 34 ILE HB 5.50 (# 2138:20 Unique 2.36, 3.46 A)
&rst
ixpk= 2138, nxpk= 20, iat= -1, 529, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 407, 408,
&end
#
# 35 HIS HB- 35 HIS HA 2.80 (# 2139:20 Unique 2.38, 2.48 A)
&rst
ixpk= 2139, nxpk= 20, iat= -1, 546, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 548, 549,
&end
#
# 35 HIS HB+ 35 HIS HA 2.80 (# 2140:20 Unique 2.38, 2.48 A)
&rst
ixpk= 2140, nxpk= 20, iat= -1, 546, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 548, 549,
&end
#
# 25 ALA HA 35 HIS HA 4.50 (# 2141:20 Unique 2.59, 2.86 A)
&rst
ixpk= 2141, nxpk= 20, iat= 395, 546, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 116 PHE HE 35 HIS HA 3.50 (# 2142:20 Unique 2.30, 4.59 A)
&rst
ixpk= 2142, nxpk= 20, iat= -1, 546, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1788,1792,
&end
#
# 36 LEU HN 36 LEU HA 5.50 (# 2143:20 Unique 2.95, 2.98 A)
&rst
ixpk= 2143, nxpk= 20, iat= 561, 563, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 41 GLU HA 41 GLU HB+ 2.80 (# 2144:20 Unique 2.40, 2.78 A)
&rst
ixpk= 2144, nxpk= 20, iat= 631, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 633, 634,
&end
#
# 116 PHE HA 119 GLN HB- 4.50 (# 2146:20 Unique 2.68, 3.90 A)
&rst
ixpk= 2146, nxpk= 20, iat=1780, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1832,1833,
&end
#
# 42 TYR HA 43 PRO HG- 5.50 (# 2149:20 Unique 4.21, 4.75 A)
&rst
ixpk= 2149, nxpk= 20, iat= 646, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 669, 670,
&end
#
# 119 GLN HA 119 GLN HB- 2.80 (# 2150:20 Unique 2.46, 2.81 A)
&rst
ixpk= 2150, nxpk= 20, iat=1830, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1832,1833,
&end
#
# 116 PHE HA 119 GLN HB+ 3.50 (# 2151:20 Unique 2.68, 3.90 A)
&rst
ixpk= 2151, nxpk= 20, iat=1780, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1832,1833,
&end
#
# 37 ALA MB 38 PRO HD- 3.50 (# 2157:20 Unique 2.52, 4.27 A)
&rst
ixpk= 2157, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 584, 585, 586,
igr2= 591, 592,
&end
#
# 32 TYR HN 31 GLY HA- 5.50 (# 2159:20 Unique 3.16, 3.32 A)
&rst
ixpk= 2159, nxpk= 20, iat= 488, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 483, 484,
&end
#
# 45 ALA MB 46 GLY HA+ 5.50 (# 2160:20 Unique 4.27, 5.40 A)
&rst
ixpk= 2160, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 690, 691, 692,
igr2= 698, 699,
&end
#
# 45 ALA MB 46 GLY HA- 7.00 (# 2161:20 Unique 4.27, 5.40 A)
&rst
ixpk= 2161, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 690, 691, 692,
igr2= 698, 699,
&end
#
# 122 TYR HB- 123 GLY HA- 4.50 (# 2162:20 Preassigned 4.27, 5.27 A)
&rst
ixpk= 2162, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1892,1893,
igr2=1911,1912,
&end
#
# 44 GLY HN 46 GLY HA+ 7.00 (# 2164:20 Unique 5.54, 7.23 A)
&rst
ixpk= 2164, nxpk= 20, iat= 679, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 698, 699,
&end
#
# 52 SER HN 50 VAL HA 5.50 (# 2170:20 Preassigned 3.15, 3.85 A)
&rst
ixpk= 2170, nxpk= 20, iat= 772, 738, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 51 PHE HB- 51 PHE HA 3.50 (# 2171:20 Unique 2.29, 2.71 A)
&rst
ixpk= 2171, nxpk= 20, iat= -1, 754, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 756, 757,
&end
#
# 51 PHE HB+ 51 PHE HA 4.50 (# 2172:20 Unique 2.29, 2.71 A)
&rst
ixpk= 2172, nxpk= 20, iat= -1, 754, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 756, 757,
&end
#
# 51 PHE HD 51 PHE HA 4.50 (# 2173:20 Unique 2.16, 3.62 A)
&rst
ixpk= 2173, nxpk= 20, iat= -1, 754, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 760, 768,
&end
#
# 82 HIS HB+ 82 HIS HA 2.80 (# 2174:20 Unique 2.20, 2.66 A)
&rst
ixpk= 2174, nxpk= 20, iat= -1,1227, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1229,1230,
&end
#
# 83 GLU HN 82 HIS HA 5.50 (# 2175:20 Unique 3.18, 3.34 A)
&rst
ixpk= 2175, nxpk= 20, iat=1242,1227, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 103 LYS HB- 57 SER HB+ 3.50 (# 2176:20 Unique 2.50, 4.28 A)
&rst
ixpk= 2176, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1562,1563,
igr2= 847, 848,
&end
#
# 103 LYS HD+ 57 SER HB+ 5.50 (# 2177:20 Unique 2.86, 4.83 A)
&rst
ixpk= 2177, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1568,1569,
igr2= 847, 848,
&end
#
# 103 LYS HD+ 57 SER HB- 5.50 (# 2178:20 Unique 2.86, 4.83 A)
&rst
ixpk= 2178, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1568,1569,
igr2= 847, 848,
&end
#
# 103 LYS HB- 57 SER HB- 3.50 (# 2179:20 Unique 2.50, 4.28 A)
&rst
ixpk= 2179, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1562,1563,
igr2= 847, 848,
&end
#
# 0 AMB 20-2:2180 0 AMB 20-1:2180 3.50 (# 2180:20 Double Ambig)
&rst
ixpk= 2180, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 854,1580,
igr2= 847, 848, 847, 848,
&end
#
# 0 AMB 20-2:2181 57 SER HB- 3.50 (# 2181:20 Single Ambig)
&rst
ixpk= 2181, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 854,1580,
igr2= 847, 848,
&end
#
# 54 LEU HA 54 LEU MDX 2.80 (# 2182:20 Preassigned 2.20, 3.87 A)
&rst
ixpk= 2182, nxpk= 20, iat= 801, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 808, 809, 810, 812, 813, 814,
&end
#
# 58 ALA HN 58 ALA HA 4.50 (# 2184:20 Unique 2.93, 2.97 A)
&rst
ixpk= 2184, nxpk= 20, iat= 854, 856, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 59 GLU HG+ 59 GLU HB+ 2.80 (# 2185:20 Unique 2.36, 2.77 A)
&rst
ixpk= 2185, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 871, 872,
igr2= 868, 869,
&end
#
# 60 VAL HN 60 VAL HA 5.50 (# 2187:20 Unique 2.93, 2.95 A)
&rst
ixpk= 2187, nxpk= 20, iat= 879, 881, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 60 VAL HA 60 VAL HB 7.00 (# 2188:20 Unique 3.02, 3.02 A)
&rst
ixpk= 2188, nxpk= 20, iat= 881, 883, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 0 AMB 20-2:2189 60 VAL MGY 5.50 (# 2189:20 Single Ambig)
&rst
ixpk= 2189, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.25, r4=11.00,
igr1=1524,1525,1526,1528,1529,1530, 568,
igr2= 885, 886, 887, 889, 890, 891,
&end
#
# 36 LEU HB- 60 VAL MGY 7.00 (# 2190:20 Unique 2.69, 5.83 A)
&rst
ixpk= 2190, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 565, 566,
igr2= 885, 886, 887, 889, 890, 891,
&end
#
# 100 VAL HA 60 VAL MGY 7.00 (# 2191:20 Unique 2.12, 3.85 A)
&rst
ixpk= 2191, nxpk= 20, iat=1520, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr2= 885, 886, 887, 889, 890, 891,
&end
#
# 36 LEU HA 60 VAL MGY 4.50 (# 2192:20 Unique 3.23, 4.58 A)
&rst
ixpk= 2192, nxpk= 20, iat= 563, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 885, 886, 887, 889, 890, 891,
&end
#
# 59 GLU HA 60 VAL MGY 4.50 (# 2193:20 Unique 3.92, 5.85 A)
&rst
ixpk= 2193, nxpk= 20, iat= 866, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 885, 886, 887, 889, 890, 891,
&end
#
# 63 GLU HG+ 61 LYS HB- 5.50 (# 2194:20 Unique 2.76, 5.34 A)
&rst
ixpk= 2194, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 948, 949,
igr2= 899, 900,
&end
#
# 37 ALA MB 61 LYS HG- 4.50 (# 2195:20 Unique 2.68, 4.62 A)
&rst
ixpk= 2195, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 584, 585, 586,
igr2= 902, 903,
&end
#
# 61 LYS HA 61 LYS HG+ 4.50 (# 2196:20 Unique 2.35, 2.77 A)
&rst
ixpk= 2196, nxpk= 20, iat= 897, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 902, 903,
&end
#
# 61 LYS HN 61 LYS HG+ 7.00 (# 2197:20 Unique 3.00, 3.73 A)
&rst
ixpk= 2197, nxpk= 20, iat= 895, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 902, 903,
&end
#
# 61 LYS HG- 61 LYS HD+ 2.80 (# 2198:20 Unique 2.36, 2.74 A)
&rst
ixpk= 2198, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 902, 903,
igr2= 905, 906,
&end
#
# 61 LYS HG- 61 LYS HD- 2.80 (# 2199:20 Unique 2.36, 2.74 A)
&rst
ixpk= 2199, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 902, 903,
igr2= 905, 906,
&end
#
# 0 AMB 20-2:2201 0 AMB 20-1:2201 7.00 (# 2201:20 Double Ambig)
&rst
ixpk= 2201, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.11, r4=11.86,
igr1= 948, 949, 945, 946,
igr2= 905, 906, 905, 906,
&end
#
# 0 AMB 20-2:2202 61 LYS HD- 5.50 (# 2202:20 Single Ambig)
&rst
ixpk= 2202, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 948, 949, 945, 946,
igr2= 905, 906,
&end
#
# 61 LYS HA 61 LYS HD+ 5.50 (# 2205:20 Unique 4.13, 4.49 A)
&rst
ixpk= 2205, nxpk= 20, iat= 897, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 905, 906,
&end
#
# 61 LYS HA 61 LYS HD- 7.00 (# 2206:20 Unique 4.13, 4.49 A)
&rst
ixpk= 2206, nxpk= 20, iat= 897, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 905, 906,
&end
#
# 34 ILE HA 62 ARG HA 2.80 (# 2208:20 Unique 2.31, 2.38 A)
&rst
ixpk= 2208, nxpk= 20, iat= 527, 919, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 87 ARG HN 86 PRO HB- 4.50 (# 2209:20 Preassigned 2.57, 3.50 A)
&rst
ixpk= 2209, nxpk= 20, iat=1309, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1302,1303,
&end
#
# 62 ARG HN 62 ARG HB+ 4.50 (# 2210:20 Unique 2.42, 2.76 A)
&rst
ixpk= 2210, nxpk= 20, iat= 917, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 921, 922,
&end
#
# 62 ARG HA 62 ARG HG- 4.50 (# 2211:20 Unique 2.52, 2.90 A)
&rst
ixpk= 2211, nxpk= 20, iat= 919, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 924, 925,
&end
#
# 62 ARG HA 62 ARG HG+ 5.50 (# 2212:20 Unique 2.52, 2.90 A)
&rst
ixpk= 2212, nxpk= 20, iat= 919, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 924, 925,
&end
#
# 62 ARG HA 62 ARG HD+ 7.00 (# 2213:20 Unique 4.33, 4.64 A)
&rst
ixpk= 2213, nxpk= 20, iat= 919, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 927, 928,
&end
#
# 62 ARG HA 62 ARG HD- 7.00 (# 2214:20 Unique 4.33, 4.64 A)
&rst
ixpk= 2214, nxpk= 20, iat= 919, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 927, 928,
&end
#
# 61 LYS HB+ 63 GLU HB+ 5.50 (# 2215:20 Unique 3.35, 5.58 A)
&rst
ixpk= 2215, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 899, 900,
igr2= 945, 946,
&end
#
# 61 LYS HB+ 63 GLU HB- 5.50 (# 2216:20 Unique 3.35, 5.58 A)
&rst
ixpk= 2216, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 899, 900,
igr2= 945, 946,
&end
#
# 7 GLU HN 0 AMB 20-1:2217 5.50 (# 2217:20 Single Ambig)
&rst
ixpk= 2217, nxpk= 20, iat= 90, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 94, 95, 77, 78,
&end
#
# 6 GLN HB+ 6 GLN HG+ 2.80 (# 2218:20 Unique 2.32, 2.76 A)
&rst
ixpk= 2218, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 77, 78,
igr2= 80, 81,
&end
#
# 6 GLN HB- 6 GLN HG+ 2.80 (# 2219:20 Unique 2.32, 2.76 A)
&rst
ixpk= 2219, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 77, 78,
igr2= 80, 81,
&end
#
# 6 GLN HA 7 GLU HA 4.50 (# 2220:20 Unique 4.37, 4.50 A)
&rst
ixpk= 2220, nxpk= 20, iat= 75, 92, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 8 PRO HD- 7 GLU HB+ 4.50 (# 2221:20 Unique 2.25, 4.23 A)
&rst
ixpk= 2221, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 106, 107,
igr2= 94, 95,
&end
#
# 8 PRO HA 8 PRO HD- 3.50 (# 2222:20 Unique 3.57, 3.85 A)
&rst
ixpk= 2222, nxpk= 20, iat= 115, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 106, 107,
&end
#
# 10 PRO HD- 9 LYS HB- 3.50 (# 2223:20 Unique 2.10, 3.45 A)
&rst
ixpk= 2223, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 142, 143,
igr2= 123, 124,
&end
#
# 10 PRO HD+ 9 LYS HB- 4.50 (# 2224:20 Unique 2.10, 3.45 A)
&rst
ixpk= 2224, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 142, 143,
igr2= 123, 124,
&end
#
# 10 PRO HD+ 9 LYS HB+ 4.50 (# 2225:20 Unique 2.10, 3.45 A)
&rst
ixpk= 2225, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 142, 143,
igr2= 123, 124,
&end
#
# 9 LYS HA 0 AMB 20-1:2226 3.50 (# 2226:20 Single Ambig)
&rst
ixpk= 2226, nxpk= 20, iat= 121, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 126, 127, 126, 127,
&end
#
# 0 AMB 20-2:2227 100 VAL HB 3.50 (# 2227:20 Single Ambig)
&rst
ixpk= 2227, nxpk= 20, iat= -1,1522, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 538, 539, 540, 885, 886, 887, 889, 890, 891,
&end
#
# 93 ILE QD1 10 PRO HB+ 2.80 (# 2228:20 Unique 2.20, 3.52 A)
&rst
ixpk= 2228, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1426,1427,1428,
igr2= 148, 149,
&end
#
# 93 ILE QD1 10 PRO HB- 2.80 (# 2229:20 Unique 2.20, 3.52 A)
&rst
ixpk= 2229, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1426,1427,1428,
igr2= 148, 149,
&end
#
# 9 LYS HA 10 PRO HD- 2.80 (# 2232:20 Unique 2.12, 2.58 A)
&rst
ixpk= 2232, nxpk= 20, iat= 121, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 142, 143,
&end
#
# 13 LEU HN 13 LEU MDX 4.50 (# 2233:20 Unique 2.35, 4.45 A)
&rst
ixpk= 2233, nxpk= 20, iat= 174, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 183, 184, 185, 187, 188, 189,
&end
#
# 27 TYR HN 0 AMB 20-1:2234 5.50 (# 2234:20 Single Ambig)
&rst
ixpk= 2234, nxpk= 20, iat= 422, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr2= 412, 413, 414, 416, 417, 418, 203, 204,
&end
#
# 14 ILE HN 14 ILE HG1+ 5.50 (# 2235:20 Unique 2.50, 3.36 A)
&rst
ixpk= 2235, nxpk= 20, iat= 193, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 203, 204,
&end
#
# 14 ILE HN 14 ILE QG2 7.00 (# 2236:20 Unique 4.37, 4.71 A)
&rst
ixpk= 2236, nxpk= 20, iat= 193, -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr2= 199, 200, 201,
&end
#
# 15 GLU HN 15 GLU HA 3.50 (# 2237:20 Unique 2.98, 2.99 A)
&rst
ixpk= 2237, nxpk= 20, iat= 212, 214, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 16 ILE HN 16 ILE HA 3.50 (# 2238:20 Unique 2.99, 3.00 A)
&rst
ixpk= 2238, nxpk= 20, iat= 227, 229, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 16 ILE HG1- 16 ILE HB 3.50 (# 2239:20 Unique 2.45, 2.78 A)
&rst
ixpk= 2239, nxpk= 20, iat= -1, 231, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 237, 238,
&end
#
# 16 ILE HG1- 16 ILE HA 3.50 (# 2240:20 Unique 2.51, 2.90 A)
&rst
ixpk= 2240, nxpk= 20, iat= -1, 229, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 237, 238,
&end
#
# 0 AMB 20-2:2241 16 ILE QD1 7.00 (# 2241:20 Single Ambig)
&rst
ixpk= 2241, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.10, r4=10.85,
igr1=1076,1077, 214,
igr2= 240, 241, 242,
&end
#
# 72 CYS HB- 16 ILE QG2 4.50 (# 2242:20 Unique 2.29, 3.13 A)
&rst
ixpk= 2242, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1076,1077,
igr2= 233, 234, 235,
&end
#
# 17 PHE HN 16 ILE QG2 3.50 (# 2243:20 Unique 2.78, 3.61 A)
&rst
ixpk= 2243, nxpk= 20, iat= 246, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 233, 234, 235,
&end
#
# 18 ARG HN 17 PHE HA 3.50 (# 2244:20 Unique 2.08, 2.36 A)
&rst
ixpk= 2244, nxpk= 20, iat= 266, 248, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 17 PHE HD 17 PHE HA 4.50 (# 2245:20 Unique 2.37, 3.56 A)
&rst
ixpk= 2245, nxpk= 20, iat= -1, 248, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 254, 262,
&end
#
# 17 PHE HB- 17 PHE HA 4.50 (# 2246:20 Unique 2.37, 2.73 A)
&rst
ixpk= 2246, nxpk= 20, iat= -1, 248, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 250, 251,
&end
#
# 18 ARG HG- 18 ARG HB- 3.50 (# 2247:20 Unique 2.38, 2.77 A)
&rst
ixpk= 2247, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 273, 274,
igr2= 270, 271,
&end
#
# 18 ARG HN 18 ARG HG- 7.00 (# 2249:20 Unique 2.39, 3.94 A)
&rst
ixpk= 2249, nxpk= 20, iat= 266, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 273, 274,
&end
#
# 18 ARG HN 18 ARG HG+ 5.50 (# 2250:20 Unique 2.39, 3.94 A)
&rst
ixpk= 2250, nxpk= 20, iat= 266, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 273, 274,
&end
#
# 0 AMB 20-2:2251 0 AMB 20-1:2251 4.50 (# 2251:20 Double Ambig)
&rst
ixpk= 2251, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 276, 277,1076,1077,
igr2= 273, 274, 273, 274,
&end
#
# 18 ARG HD- 18 ARG HG+ 4.50 (# 2252:20 Unique 2.33, 2.70 A)
&rst
ixpk= 2252, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 276, 277,
igr2= 273, 274,
&end
#
# 18 ARG HA 18 ARG HG+ 2.80 (# 2253:20 Unique 2.45, 2.97 A)
&rst
ixpk= 2253, nxpk= 20, iat= 268, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 273, 274,
&end
#
# 19 LEU HA 19 LEU HB- 3.50 (# 2254:20 Unique 2.45, 2.79 A)
&rst
ixpk= 2254, nxpk= 20, iat= 292, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 294, 295,
&end
#
# 19 LEU HA 19 LEU MDX 3.50 (# 2257:20 Unique 2.22, 3.91 A)
&rst
ixpk= 2257, nxpk= 20, iat= 292, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 299, 300, 301, 303, 304, 305,
&end
#
# 19 LEU HA 19 LEU MDY 2.80 (# 2258:20 Unique 2.22, 3.91 A)
&rst
ixpk= 2258, nxpk= 20, iat= 292, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 299, 300, 301, 303, 304, 305,
&end
#
# 20 GLY HN 20 GLY HA- 7.00 (# 2259:20 Unique 2.30, 2.64 A)
&rst
ixpk= 2259, nxpk= 20, iat= 309, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 311, 312,
&end
#
# 22 GLU HA 22 GLU HB+ 4.50 (# 2260:20 Unique 2.33, 2.70 A)
&rst
ixpk= 2260, nxpk= 20, iat= 339, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 341, 342,
&end
#
# 22 GLU HG- 22 GLU HA 4.50 (# 2261:20 Unique 2.41, 3.20 A)
&rst
ixpk= 2261, nxpk= 20, iat= -1, 339, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 344, 345,
&end
#
# 23 HIS HD2 23 HIS HA 4.50 (# 2262:20 Unique 2.57, 3.72 A)
&rst
ixpk= 2262, nxpk= 20, iat= 365, 354, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 24 TRP HN 24 TRP HA 7.00 (# 2263:20 Unique 2.96, 2.98 A)
&rst
ixpk= 2263, nxpk= 20, iat= 369, 371, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 26 LEU HN 26 LEU HA 5.50 (# 2264:20 Unique 2.98, 2.99 A)
&rst
ixpk= 2264, nxpk= 20, iat= 403, 405, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 120 LEU HB- 26 LEU HG 7.00 (# 2265:20 Unique 3.04, 3.46 A)
&rst
ixpk= 2265, nxpk= 20, iat= -1, 410, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1849,1850,
&end
#
# 28 ILE HG1- 28 ILE HB 2.80 (# 2266:20 Unique 2.46, 2.79 A)
&rst
ixpk= 2266, nxpk= 20, iat= -1, 447, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 453, 454,
&end
#
# 0 AMB 20-2:2267 0 AMB 20-1:2267 4.50 (# 2267:20 Double Ambig)
&rst
ixpk= 2267, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 426, 427, 473, 474,
igr2= 203, 204, 453, 454,
&end
#
# 28 ILE HA 28 ILE QG2 2.80 (# 2268:20 Unique 2.33, 3.09 A)
&rst
ixpk= 2268, nxpk= 20, iat= 445, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 449, 450, 451,
&end
#
# 28 ILE HN 28 ILE QG2 3.50 (# 2269:20 Unique 2.70, 3.58 A)
&rst
ixpk= 2269, nxpk= 20, iat= 443, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 449, 450, 451,
&end
#
# 29 GLY HN 29 GLY HA- 4.50 (# 2270:20 Unique 2.35, 2.70 A)
&rst
ixpk= 2270, nxpk= 20, iat= 462, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 464, 465,
&end
#
# 0 AMB 20-2:2274 29 GLY HA- 4.50 (# 2274:20 Single Ambig)
&rst
ixpk= 2274, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 129, 130, 123, 124,
igr2= 464, 465,
&end
#
# 31 GLY HN 30 ASP HA 3.50 (# 2275:20 Unique 2.78, 3.05 A)
&rst
ixpk= 2275, nxpk= 20, iat= 481, 471, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 32 TYR HA 32 TYR HB- 4.50 (# 2277:20 Unique 2.51, 2.80 A)
&rst
ixpk= 2277, nxpk= 20, iat= 490, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 492, 493,
&end
#
# 65 LEU HA 33 VAL MGX 3.50 (# 2279:20 Unique 2.42, 3.46 A)
&rst
ixpk= 2279, nxpk= 20, iat= 982, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 515, 516, 517, 519, 520, 521,
&end
#
# 33 VAL HA 33 VAL MGX 2.80 (# 2280:20 Unique 2.36, 3.51 A)
&rst
ixpk= 2280, nxpk= 20, iat= 511, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 515, 516, 517, 519, 520, 521,
&end
#
# 27 TYR HD 33 VAL MGX 2.80 (# 2281:20 Unique 2.23, 5.89 A)
&rst
ixpk= 2281, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 430, 439,
igr2= 515, 516, 517, 519, 520, 521,
&end
#
# 0 AMB 20-2:2282 33 VAL MGX 3.50 (# 2282:20 Single Ambig)
&rst
ixpk= 2282, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 525, 544,
igr2= 515, 516, 517, 519, 520, 521,
&end
#
# 33 VAL HN 33 VAL MGX 4.50 (# 2283:20 Unique 2.39, 3.59 A)
&rst
ixpk= 2283, nxpk= 20, iat= 509, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 515, 516, 517, 519, 520, 521,
&end
#
# 0 AMB 20-2:2284 0 AMB 20-1:2284 4.50 (# 2284:20 Double Ambig)
&rst
ixpk= 2284, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 456, 457, 458, 453, 454,
igr2= 535, 536, 535, 536,
&end
#
# 0 AMB 20-2:2285 34 ILE HG1- 4.50 (# 2285:20 Single Ambig)
&rst
ixpk= 2285, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 456, 457, 458, 453, 454,
igr2= 535, 536,
&end
#
# 34 ILE HA 34 ILE QG2 2.80 (# 2286:20 Unique 2.60, 3.29 A)
&rst
ixpk= 2286, nxpk= 20, iat= 527, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 531, 532, 533,
&end
#
# 36 LEU HN 35 HIS HA 3.50 (# 2287:20 Unique 2.29, 2.44 A)
&rst
ixpk= 2287, nxpk= 20, iat= 561, 546, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 35 HIS HN 35 HIS HA 4.50 (# 2288:20 Unique 2.92, 2.96 A)
&rst
ixpk= 2288, nxpk= 20, iat= 544, 546, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 41 GLU HB+ 41 GLU HG+ 2.80 (# 2291:20 Unique 2.26, 2.72 A)
&rst
ixpk= 2291, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 633, 634,
igr2= 636, 637,
&end
#
# 41 GLU HB- 41 GLU HG+ 2.80 (# 2292:20 Unique 2.26, 2.72 A)
&rst
ixpk= 2292, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 633, 634,
igr2= 636, 637,
&end
#
# 86 PRO HB- 86 PRO HD+ 5.50 (# 2293:20 Unique 2.80, 3.67 A)
&rst
ixpk= 2293, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1302,1303,
igr2=1296,1297,
&end
#
# 76 VAL MGY 14 ILE QD1 4.50 (# 2294:20 Unique 2.29, 5.85 A)
&rst
ixpk= 2294, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1145,1146,1147,1149,1150,1151,
igr2= 206, 207, 208,
&end
#
# 24 TRP HN 24 TRP HB- 7.00 (# 2297:20 Unique 2.40, 3.25 A)
&rst
ixpk= 2297, nxpk= 20, iat= 369, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 373, 374,
&end
#
# 24 TRP HN 24 TRP HB+ 7.00 (# 2298:20 Unique 2.40, 3.25 A)
&rst
ixpk= 2298, nxpk= 20, iat= 369, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 373, 374,
&end
#
# 35 HIS HN 35 HIS HB+ 7.00 (# 2300:20 Unique 3.29, 3.65 A)
&rst
ixpk= 2300, nxpk= 20, iat= 544, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 548, 549,
&end
#
# 0 AMB 20-2:2301 35 HIS HB- 7.00 (# 2301:20 Single Ambig)
&rst
ixpk= 2301, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 544, 525,
igr2= 548, 549,
&end
#
# 0 AMB 20-2:2302 0 AMB 20-1:2302 4.50 (# 2302:20 Double Ambig)
&rst
ixpk= 2302, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 132, 133, 132, 133,
igr2= 126, 127, 126, 127,
&end
#
# 0 AMB 20-2:2303 0 AMB 20-1:2303 2.80 (# 2303:20 Double Ambig)
&rst
ixpk= 2303, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 123, 124, 129, 130, 129, 130,
igr2= 126, 127, 126, 127, 126, 127,
&end
#
# 0 AMB 20-2:2304 9 LYS HG- 2.80 (# 2304:20 Single Ambig)
&rst
ixpk= 2304, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 123, 124, 129, 130,
igr2= 126, 127,
&end
#
# 65 LEU MDX 14 ILE QD1 2.80 (# 2305:20 Unique 2.35, 4.17 A)
&rst
ixpk= 2305, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 989, 990, 991, 993, 994, 995,
igr2= 206, 207, 208,
&end
#
# 0 AMB 20-2:2306 14 ILE QD1 3.50 (# 2306:20 Single Ambig)
&rst
ixpk= 2306, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
igr1= 109, 110, 397, 398, 399,
igr2= 206, 207, 208,
&end
#
# 0 AMB 20-2:2307 14 ILE HA 3.50 (# 2307:20 Single Ambig)
&rst
ixpk= 2307, nxpk= 20, iat= -1, 195, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 206, 207, 208, 199, 200, 201,
&end
#
# 0 AMB 20-2:2308 14 ILE HA 3.50 (# 2308:20 Single Ambig)
&rst
ixpk= 2308, nxpk= 20, iat= -1, 195, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 206, 207, 208, 199, 200, 201,
&end
#
# 16 ILE HG1+ 14 ILE HA 5.50 (# 2309:20 Unique 4.84, 5.37 A)
&rst
ixpk= 2309, nxpk= 20, iat= -1, 195, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 237, 238,
&end
#
# 15 GLU HN 14 ILE HA 4.50 (# 2310:20 Unique 2.10, 2.14 A)
&rst
ixpk= 2310, nxpk= 20, iat= 212, 195, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 14 ILE HN 14 ILE HA 7.00 (# 2311:20 Unique 2.99, 3.01 A)
&rst
ixpk= 2311, nxpk= 20, iat= 193, 195, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 14 ILE HN 24 TRP HA 4.50 (# 2312:20 Unique 4.56, 4.60 A)
&rst
ixpk= 2312, nxpk= 20, iat= 193, 371, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 36 LEU HN 35 HIS HB+ 5.50 (# 2313:20 Unique 2.31, 3.28 A)
&rst
ixpk= 2313, nxpk= 20, iat= 561, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 548, 549,
&end
#
# 36 LEU HN 35 HIS HB- 5.50 (# 2314:20 Unique 2.31, 3.28 A)
&rst
ixpk= 2314, nxpk= 20, iat= 561, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 548, 549,
&end
#
# 37 ALA MB 36 LEU HA 5.50 (# 2315:20 Unique 4.35, 4.91 A)
&rst
ixpk= 2315, nxpk= 20, iat= -1, 563, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 584, 585, 586,
&end
#
# 36 LEU HN 38 PRO HD+ 7.00 (# 2320:20 Unique 5.41, 6.52 A)
&rst
ixpk= 2320, nxpk= 20, iat= 561, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 591, 592,
&end
#
# 36 LEU HN 38 PRO HD- 7.00 (# 2321:20 Unique 5.41, 6.52 A)
&rst
ixpk= 2321, nxpk= 20, iat= 561, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 591, 592,
&end
#
# 90 GLU HN 88 PRO HA 5.50 (# 2322:20 Unique 3.93, 4.15 A)
&rst
ixpk= 2322, nxpk= 20, iat=1363,1343, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 122 TYR HN 123 GLY HA- 5.50 (# 2323:20 Unique 4.65, 5.28 A)
&rst
ixpk= 2323, nxpk= 20, iat=1888, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1911,1912,
&end
#
# 0 AMB 20-2:2324 123 GLY HA- 5.50 (# 2324:20 Single Ambig)
&rst
ixpk= 2324, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1916,1896,1905,
igr2=1911,1912,
&end
#
# 122 TYR HB- 123 GLY HA+ 5.50 (# 2326:20 Preassigned 4.27, 5.27 A)
&rst
ixpk= 2326, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1892,1893,
igr2=1911,1912,
&end
#
# 44 GLY HA+ 45 ALA HA 5.50 (# 2329:20 Unique 4.29, 4.72 A)
&rst
ixpk= 2329, nxpk= 20, iat= -1, 688, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 681, 682,
&end
#
# 50 VAL HA 50 VAL MGX 2.80 (# 2341:20 Unique 2.34, 3.49 A)
&rst
ixpk= 2341, nxpk= 20, iat= 738, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 742, 743, 744, 746, 747, 748,
&end
#
# 51 PHE HA 51 PHE HB+ 3.50 (# 2345:20 Unique 2.29, 2.71 A)
&rst
ixpk= 2345, nxpk= 20, iat= 754, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 756, 757,
&end
#
# 51 PHE HA 51 PHE HB- 3.50 (# 2348:20 Unique 2.29, 2.71 A)
&rst
ixpk= 2348, nxpk= 20, iat= 754, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 756, 757,
&end
#
# 51 PHE HD 51 PHE HB- 2.80 (# 2350:20 Unique 2.32, 3.09 A)
&rst
ixpk= 2350, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 760, 768,
igr2= 756, 757,
&end
#
# 40 SER HB+ 40 SER HA 2.80 (# 2351:20 Unique 2.35, 2.66 A)
&rst
ixpk= 2351, nxpk= 20, iat= -1, 620, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 622, 623,
&end
#
# 0 AMB 20-2:2352 115 HIS HA 5.50 (# 2352:20 Single Ambig)
&rst
ixpk= 2352, nxpk= 20, iat= -1,1763, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=1753,1754,1820,1821,1822,
&end
#
# 118 THR HN 115 HIS HA 7.00 (# 2353:20 Unique 3.35, 3.60 A)
&rst
ixpk= 2353, nxpk= 20, iat=1814,1763, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 53 VAL MGY 52 SER HB+ 4.50 (# 2354:20 Unique 2.75, 6.18 A)
&rst
ixpk= 2354, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 789, 790, 791, 793, 794, 795,
igr2= 776, 777,
&end
#
# 40 SER HA 40 SER HB+ 2.80 (# 2356:20 Unique 2.35, 2.66 A)
&rst
ixpk= 2356, nxpk= 20, iat= 620, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 622, 623,
&end
#
# 109 VAL MGX 109 VAL HA 3.50 (# 2358:20 Unique 2.35, 3.41 A)
&rst
ixpk= 2358, nxpk= 20, iat= -1,1672, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1676,1677,1678,1680,1681,1682,
&end
#
# 89 VAL HB 89 VAL MGY 2.80 (# 2359:20 Unique 2.39, 2.66 A)
&rst
ixpk= 2359, nxpk= 20, iat=1351, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1353,1354,1355,1357,1358,1359,
&end
#
# 0 AMB 20-2:2360 0 AMB 20-1:2360 2.80 (# 2360:20 Double Ambig)
&rst
ixpk= 2360, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1674, 787,
igr2=1676,1677,1678,1680,1681,1682, 789, 790, 791, 793,
794, 795,
&end
#
# 124 LYS HG+ 124 LYS HA 5.50 (# 2362:20 Unique 2.60, 3.97 A)
&rst
ixpk= 2362, nxpk= 20, iat= -1,1918, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1923,1924,
&end
#
# 0 AMB 20-2:2363 54 LEU HA 5.50 (# 2363:20 Single Ambig)
&rst
ixpk= 2363, nxpk= 20, iat= -1, 801, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 818, 799,
&end
#
# 55 SER HB+ 54 LEU HA 5.50 (# 2364:20 Unique 4.19, 5.47 A)
&rst
ixpk= 2364, nxpk= 20, iat= -1, 801, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 822, 823,
&end
#
# 0 AMB 20-2:2365 87 ARG HA 3.50 (# 2365:20 Single Ambig)
&rst
ixpk= 2365, nxpk= 20, iat= -1,1311, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1316,1317,1313,1314,
&end
#
# 54 LEU HA 54 LEU MDY 5.50 (# 2367:20 Unique 2.20, 3.87 A)
&rst
ixpk= 2367, nxpk= 20, iat= 801, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 808, 809, 810, 812, 813, 814,
&end
#
# 115 HIS HD2 115 HIS HA 7.00 (# 2368:20 Unique 2.56, 3.65 A)
&rst
ixpk= 2368, nxpk= 20, iat=1774,1763, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 0 AMB 20-2:2373 56 ASN HA 2.80 (# 2373:20 Single Ambig)
&rst
ixpk= 2373, nxpk= 20, iat= -1, 831, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 833, 834, 648, 649,
&end
#
# 125 SER HN 125 SER HB+ 4.50 (# 2381:20 Unique 2.44, 3.10 A)
&rst
ixpk= 2381, nxpk= 20, iat=1938, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1942,1943,
&end
#
# 40 SER HA 40 SER HB- 2.80 (# 2382:20 Unique 2.35, 2.66 A)
&rst
ixpk= 2382, nxpk= 20, iat= 620, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 622, 623,
&end
#
# 0 AMB 20-2:2383 58 ALA HA 4.50 (# 2383:20 Single Ambig)
&rst
ixpk= 2383, nxpk= 20, iat= -1, 856, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 580,1640,
&end
#
# 59 GLU HA 59 GLU HB- 2.80 (# 2386:20 Unique 2.41, 2.79 A)
&rst
ixpk= 2386, nxpk= 20, iat= 866, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 868, 869,
&end
#
# 61 LYS HE+ 59 GLU HB- 5.50 (# 2387:20 Unique 2.06, 3.98 A)
&rst
ixpk= 2387, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 908, 909,
igr2= 868, 869,
&end
#
# 59 GLU HG+ 59 GLU HB- 2.80 (# 2388:20 Unique 2.36, 2.77 A)
&rst
ixpk= 2388, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 871, 872,
igr2= 868, 869,
&end
#
# 61 LYS HE+ 59 GLU HG+ 7.00 (# 2389:20 Unique 3.60, 5.14 A)
&rst
ixpk= 2389, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 908, 909,
igr2= 871, 872,
&end
#
# 103 LYS HE+ 59 GLU HG+ 7.00 (# 2390:20 Unique 2.79, 5.20 A)
&rst
ixpk= 2390, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1571,1572,
igr2= 871, 872,
&end
#
# 36 LEU HA 60 VAL HA 3.50 (# 2391:20 Unique 2.10, 2.25 A)
&rst
ixpk= 2391, nxpk= 20, iat= 563, 881, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 116 PHE HD 60 VAL MGY 7.00 (# 2392:20 Unique 3.79, 5.45 A)
&rst
ixpk= 2392, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1=1786,1794,
igr2= 885, 886, 887, 889, 890, 891,
&end
#
# 62 ARG HN 61 LYS HA 2.80 (# 2393:20 Unique 2.20, 2.31 A)
&rst
ixpk= 2393, nxpk= 20, iat= 917, 897, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 61 LYS HN 61 LYS HA 3.50 (# 2394:20 Unique 2.99, 3.00 A)
&rst
ixpk= 2394, nxpk= 20, iat= 895, 897, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 37 ALA MB 61 LYS HG+ 4.50 (# 2395:20 Unique 2.68, 4.62 A)
&rst
ixpk= 2395, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 584, 585, 586,
igr2= 902, 903,
&end
#
# 0 AMB 20-2:2396 0 AMB 20-1:2396 2.80 (# 2396:20 Double Ambig)
&rst
ixpk= 2396, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.99, r4= 5.74,
igr1=1562,1563,1607,1608, 868, 869, 868, 869,
igr2=1565,1566,1604,1605,
&end
#
# 61 LYS HB- 61 LYS HG- 4.50 (# 2398:20 Unique 2.38, 2.77 A)
&rst
ixpk= 2398, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 899, 900,
igr2= 902, 903,
&end
#
# 59 GLU HG+ 103 LYS HG- 3.50 (# 2399:20 Unique 2.35, 3.60 A)
&rst
ixpk= 2399, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 871, 872,
igr2=1565,1566,
&end
#
# 59 GLU HB- 61 LYS HD- 3.50 (# 2400:20 Unique 3.03, 5.05 A)
&rst
ixpk= 2400, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 868, 869,
igr2= 905, 906,
&end
#
# 61 LYS HB- 61 LYS HD+ 2.80 (# 2401:20 Unique 2.41, 2.87 A)
&rst
ixpk= 2401, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 899, 900,
igr2= 905, 906,
&end
#
# 61 LYS HB- 61 LYS HD- 3.50 (# 2402:20 Unique 2.41, 2.87 A)
&rst
ixpk= 2402, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 899, 900,
igr2= 905, 906,
&end
#
# 59 GLU HG+ 61 LYS HE+ 4.50 (# 2403:20 Unique 3.60, 5.14 A)
&rst
ixpk= 2403, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 871, 872,
igr2= 908, 909,
&end
#
# 61 LYS HA 62 ARG HA 7.00 (# 2404:20 Unique 4.49, 4.53 A)
&rst
ixpk= 2404, nxpk= 20, iat= 897, 919, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 62 ARG HD+ 62 ARG HB+ 4.50 (# 2405:20 Unique 2.42, 3.12 A)
&rst
ixpk= 2405, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 927, 928,
igr2= 921, 922,
&end
#
# 63 GLU HN 62 ARG HG+ 7.00 (# 2406:20 Unique 2.79, 3.19 A)
&rst
ixpk= 2406, nxpk= 20, iat= 941, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 924, 925,
&end
#
# 63 GLU HN 62 ARG HG- 7.00 (# 2407:20 Unique 2.79, 3.19 A)
&rst
ixpk= 2407, nxpk= 20, iat= 941, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 924, 925,
&end
#
# 0 AMB 20-2:2408 62 ARG HD- 4.50 (# 2408:20 Single Ambig)
&rst
ixpk= 2408, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 535, 536,1524,1525,1526,1528,1529,1530,
igr2= 927, 928,
&end
#
# 100 VAL MGX 62 ARG HD+ 4.50 (# 2409:20 Unique 3.48, 5.80 A)
&rst
ixpk= 2409, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1524,1525,1526,1528,1529,1530,
igr2= 927, 928,
&end
#
# 0 AMB 20-2:2412 63 GLU HA 2.80 (# 2412:20 Single Ambig)
&rst
ixpk= 2412, nxpk= 20, iat= -1, 943, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 948, 949, 945, 946,
&end
#
# 63 GLU HG+ 63 GLU HA 2.80 (# 2413:20 Unique 2.32, 3.10 A)
&rst
ixpk= 2413, nxpk= 20, iat= -1, 943, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 948, 949,
&end
#
# 63 GLU HB+ 63 GLU HA 3.50 (# 2414:20 Unique 2.49, 2.83 A)
&rst
ixpk= 2414, nxpk= 20, iat= -1, 943, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 945, 946,
&end
#
# 64 ARG HN 63 GLU HA 2.80 (# 2415:20 Unique 2.37, 2.49 A)
&rst
ixpk= 2415, nxpk= 20, iat= 956, 943, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 63 GLU HN 63 GLU HA 5.50 (# 2416:20 Unique 2.86, 2.91 A)
&rst
ixpk= 2416, nxpk= 20, iat= 941, 943, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 63 GLU HN 63 GLU HG+ 7.00 (# 2417:20 Unique 3.48, 4.52 A)
&rst
ixpk= 2417, nxpk= 20, iat= 941, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 948, 949,
&end
#
# 64 ARG HN 63 GLU HG+ 5.50 (# 2418:20 Unique 2.14, 3.94 A)
&rst
ixpk= 2418, nxpk= 20, iat= 956, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 948, 949,
&end
#
# 66 GLU HN 64 ARG HA 5.50 (# 2419:20 Unique 4.07, 4.30 A)
&rst
ixpk= 2419, nxpk= 20, iat= 999, 958, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 67 ASP HN 64 ARG HB- 4.50 (# 2420:20 Unique 2.32, 2.92 A)
&rst
ixpk= 2420, nxpk= 20, iat=1014, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 960, 961,
&end
#
# 65 LEU HN 64 ARG HB- 5.50 (# 2421:20 Unique 3.15, 3.76 A)
&rst
ixpk= 2421, nxpk= 20, iat= 980, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 960, 961,
&end
#
# 65 LEU HN 64 ARG HB+ 5.50 (# 2422:20 Unique 3.15, 3.76 A)
&rst
ixpk= 2422, nxpk= 20, iat= 980, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 960, 961,
&end
#
# 64 ARG HN 64 ARG HB- 3.50 (# 2423:20 Unique 2.31, 3.01 A)
&rst
ixpk= 2423, nxpk= 20, iat= 956, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 960, 961,
&end
#
# 64 ARG HD- 64 ARG HB- 4.50 (# 2424:20 Unique 2.40, 3.08 A)
&rst
ixpk= 2424, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 966, 967,
igr2= 960, 961,
&end
#
# 32 TYR HD 64 ARG HG+ 4.50 (# 2425:20 Unique 3.12, 4.48 A)
&rst
ixpk= 2425, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 496, 505,
igr2= 963, 964,
&end
#
# 64 ARG HN 64 ARG HD+ 4.50 (# 2426:20 Unique 4.02, 4.60 A)
&rst
ixpk= 2426, nxpk= 20, iat= 956, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 966, 967,
&end
#
# 64 ARG HN 64 ARG HD- 5.50 (# 2427:20 Unique 4.02, 4.60 A)
&rst
ixpk= 2427, nxpk= 20, iat= 956, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 966, 967,
&end
#
# 0 AMB 20-2:2428 65 LEU HA 7.00 (# 2428:20 Single Ambig)
&rst
ixpk= 2428, nxpk= 20, iat= -1, 982, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1= 430, 439,1014,
&end
#
# 66 GLU HB- 65 LEU HA 7.00 (# 2431:20 Unique 5.86, 6.37 A)
&rst
ixpk= 2431, nxpk= 20, iat= -1, 982, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1003,1004,
&end
#
# 65 LEU MDY 65 LEU HB+ 2.80 (# 2432:20 Unique 2.40, 3.40 A)
&rst
ixpk= 2432, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 989, 990, 991, 993, 994, 995,
igr2= 984, 985,
&end
#
# 0 AMB 20-2:2433 0 AMB 20-1:2433 5.50 (# 2433:20 Double Ambig)
&rst
ixpk= 2433, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.64, r4=12.39,
igr1=1048,1049,1050,1052,1053,1054, 240, 241, 242,1032,
1033,1034,1036,1037,1038,
igr2= 984, 985, 984, 985, 984, 985,
&end
#
# 0 AMB 20-2:2434 65 LEU HB- 7.00 (# 2434:20 Single Ambig)
&rst
ixpk= 2434, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
igr1= 203, 204, 109, 110,
igr2= 984, 985,
&end
#
# 66 GLU HB- 65 LEU HB+ 5.50 (# 2435:20 Unique 5.12, 6.29 A)
&rst
ixpk= 2435, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1003,1004,
igr2= 984, 985,
&end
#
# 65 LEU HB- 65 LEU HG 3.50 (# 2436:20 Unique 2.25, 2.67 A)
&rst
ixpk= 2436, nxpk= 20, iat= -1, 987, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 984, 985,
&end
#
# 65 LEU HN 65 LEU HG 7.00 (# 2437:20 Unique 4.30, 4.52 A)
&rst
ixpk= 2437, nxpk= 20, iat= 980, 987, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 65 LEU HN 65 LEU MDX 7.00 (# 2439:20 Unique 4.58, 5.20 A)
&rst
ixpk= 2439, nxpk= 20, iat= 980, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr2= 989, 990, 991, 993, 994, 995,
&end
#
# 0 AMB 20-2:2441 65 LEU MDY 2.80 (# 2441:20 Single Ambig)
&rst
ixpk= 2441, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 987, 984, 985,
igr2= 989, 990, 991, 993, 994, 995,
&end
#
# 0 AMB 20-2:2442 65 LEU MDY 4.50 (# 2442:20 Single Ambig)
&rst
ixpk= 2442, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 109, 110, 203, 204,
igr2= 989, 990, 991, 993, 994, 995,
&end
#
# 65 LEU HA 65 LEU MDY 4.50 (# 2443:20 Unique 2.21, 3.82 A)
&rst
ixpk= 2443, nxpk= 20, iat= 982, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 989, 990, 991, 993, 994, 995,
&end
#
# 65 LEU HN 65 LEU MDY 5.50 (# 2444:20 Unique 4.58, 5.20 A)
&rst
ixpk= 2444, nxpk= 20, iat= 980, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 989, 990, 991, 993, 994, 995,
&end
#
# 0 AMB 20-2:2445 66 GLU HA 4.50 (# 2445:20 Single Ambig)
&rst
ixpk= 2445, nxpk= 20, iat= -1,1001, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 987, 984, 985,
&end
#
# 69 VAL HN 66 GLU HA 4.50 (# 2447:20 Unique 3.64, 3.77 A)
&rst
ixpk= 2447, nxpk= 20, iat=1042,1001, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 66 GLU HG+ 66 GLU HB- 2.80 (# 2449:20 Unique 2.30, 2.73 A)
&rst
ixpk= 2449, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1006,1007,
igr2=1003,1004,
&end
#
# 67 ASP HA 66 GLU HB- 4.50 (# 2450:20 Unique 3.91, 4.28 A)
&rst
ixpk= 2450, nxpk= 20, iat=1016, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1003,1004,
&end
#
# 0 AMB 20-2:2451 0 AMB 20-1:2451 3.50 (# 2451:20 Double Ambig)
&rst
ixpk= 2451, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 960, 961, 984, 985,
igr2=1006,1007,1006,1007,
&end
#
# 67 ASP HB- 67 ASP HA 2.80 (# 2453:20 Unique 2.46, 2.77 A)
&rst
ixpk= 2453, nxpk= 20, iat= -1,1016, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1018,1019,
&end
#
# 66 GLU HG+ 67 ASP HA 5.50 (# 2454:20 Preassigned 6.05, 6.31 A)
&rst
ixpk= 2454, nxpk= 20, iat= -1,1016, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1006,1007,
&end
#
# 0 AMB 20-2:2456 106 TYR HA 3.50 (# 2456:20 Single Ambig)
&rst
ixpk= 2456, nxpk= 20, iat= -1,1621, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1623,1624, 833, 834,
&end
#
# 64 ARG HB- 67 ASP HB- 5.50 (# 2458:20 Unique 2.24, 3.57 A)
&rst
ixpk= 2458, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 960, 961,
igr2=1018,1019,
&end
#
# 69 VAL MGY 68 VAL HA 5.50 (# 2459:20 Unique 5.27, 6.66 A)
&rst
ixpk= 2459, nxpk= 20, iat= -1,1028, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1048,1049,1050,1052,1053,1054,
&end
#
# 0 AMB 20-2:2462 68 VAL HB 7.00 (# 2462:20 Single Ambig)
&rst
ixpk= 2462, nxpk= 20, iat= -1,1030, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 989, 990, 991, 993, 994, 995,1048,1049,1050,1052,
1053,1054,
&end
#
# 35 HIS HD2 68 VAL MGY 5.50 (# 2463:20 Unique 2.98, 4.81 A)
&rst
ixpk= 2463, nxpk= 20, iat= 557, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1032,1033,1034,1036,1037,1038,
&end
#
# 67 ASP HN 68 VAL MGY 5.50 (# 2464:20 Unique 4.48, 6.42 A)
&rst
ixpk= 2464, nxpk= 20, iat=1014, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1032,1033,1034,1036,1037,1038,
&end
#
# 63 GLU HA 68 VAL MGY 4.50 (# 2465:20 Unique 4.55, 6.67 A)
&rst
ixpk= 2465, nxpk= 20, iat= 943, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1032,1033,1034,1036,1037,1038,
&end
#
# 25 ALA MB 68 VAL MGY 5.50 (# 2466:20 Unique 2.94, 5.69 A)
&rst
ixpk= 2466, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 397, 398, 399,
igr2=1032,1033,1034,1036,1037,1038,
&end
#
# 16 ILE QG2 69 VAL HA 2.80 (# 2467:20 Unique 2.56, 3.46 A)
&rst
ixpk= 2467, nxpk= 20, iat= -1,1044, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 233, 234, 235,
&end
#
# 93 ILE HN 93 ILE HA 2.80 (# 2468:20 Unique 2.84, 2.86 A)
&rst
ixpk= 2468, nxpk= 20, iat=1413,1415, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 69 VAL HN 69 VAL HA 2.80 (# 2469:20 Unique 2.85, 2.87 A)
&rst
ixpk= 2469, nxpk= 20, iat=1042,1044, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 87 ARG HN 86 PRO HB+ 4.50 (# 2470:20 Preassigned 2.57, 3.50 A)
&rst
ixpk= 2470, nxpk= 20, iat=1309, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1302,1303,
&end
#
# 70 GLY HN 69 VAL HB 4.50 (# 2471:20 Preassigned 3.80, 4.08 A)
&rst
ixpk= 2471, nxpk= 20, iat=1058,1046, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 69 VAL HB 69 VAL MGX 2.80 (# 2472:20 Unique 2.36, 2.64 A)
&rst
ixpk= 2472, nxpk= 20, iat=1046, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1048,1049,1050,1052,1053,1054,
&end
#
# 18 ARG HA 72 CYS HA 3.50 (# 2473:20 Unique 3.43, 3.56 A)
&rst
ixpk= 2473, nxpk= 20, iat= 268,1074, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 69 VAL MGY 72 CYS HB- 5.50 (# 2474:20 Unique 2.30, 5.66 A)
&rst
ixpk= 2474, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1048,1049,1050,1052,1053,1054,
igr2=1076,1077,
&end
#
# 72 CYS HA 72 CYS HB- 2.80 (# 2475:20 Unique 2.38, 2.75 A)
&rst
ixpk= 2475, nxpk= 20, iat=1074, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1076,1077,
&end
#
# 72 CYS HA 72 CYS HB+ 4.50 (# 2476:20 Unique 2.38, 2.75 A)
&rst
ixpk= 2476, nxpk= 20, iat=1074, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1076,1077,
&end
#
# 17 PHE HE 73 CYS HB+ 7.00 (# 2479:20 Unique 3.17, 6.42 A)
&rst
ixpk= 2479, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 256, 260,
igr2=1087,1088,
&end
#
# 17 PHE HN 73 CYS HB+ 5.50 (# 2480:20 Unique 3.64, 4.32 A)
&rst
ixpk= 2480, nxpk= 20, iat= 246, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1087,1088,
&end
#
# 74 TYR HB- 74 TYR HA 2.80 (# 2481:20 Unique 2.29, 2.44 A)
&rst
ixpk= 2481, nxpk= 20, iat= -1,1096, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1098,1099,
&end
#
# 74 TYR HE 74 TYR HB- 5.50 (# 2482:20 Unique 4.67, 5.10 A)
&rst
ixpk= 2482, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1104,1109,
igr2=1098,1099,
&end
#
# 0 AMB 20-2:2483 0 AMB 20-1:2483 7.00 (# 2483:20 Double Ambig)
&rst
ixpk= 2483, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 462,1104,1109,
igr2= 492, 493,1098,1099,
&end
#
# 75 ARG HN 74 TYR HB- 5.50 (# 2484:20 Unique 2.39, 3.16 A)
&rst
ixpk= 2484, nxpk= 20, iat=1115, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1098,1099,
&end
#
# 16 ILE HA 74 TYR HB+ 5.50 (# 2485:20 Unique 2.61, 2.91 A)
&rst
ixpk= 2485, nxpk= 20, iat= 229, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1098,1099,
&end
#
# 16 ILE HG1- 74 TYR HB+ 4.50 (# 2486:20 Unique 2.31, 3.25 A)
&rst
ixpk= 2486, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 237, 238,
igr2=1098,1099,
&end
#
# 121 ARG HE 121 ARG HD+ 5.50 (# 2487:20 Unique 2.30, 2.78 A)
&rst
ixpk= 2487, nxpk= 20, iat=1877, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1874,1875,
&end
#
# 121 ARG HE 121 ARG HD- 5.50 (# 2488:20 Unique 2.30, 2.78 A)
&rst
ixpk= 2488, nxpk= 20, iat=1877, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1874,1875,
&end
#
# 121 ARG HG- 121 ARG HD+ 7.00 (# 2491:20 Unique 2.32, 2.71 A)
&rst
ixpk= 2491, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1871,1872,
igr2=1874,1875,
&end
#
# 121 ARG HG- 121 ARG HD- 4.50 (# 2492:20 Unique 2.32, 2.71 A)
&rst
ixpk= 2492, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1871,1872,
igr2=1874,1875,
&end
#
# 13 LEU MDY 121 ARG HD+ 3.50 (# 2493:20 Unique 2.50, 5.62 A)
&rst
ixpk= 2493, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 183, 184, 185, 187, 188, 189,
igr2=1874,1875,
&end
#
# 0 AMB 20-2:2494 0 AMB 20-1:2494 7.00 (# 2494:20 Double Ambig)
&rst
ixpk= 2494, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 181, 80, 81,
igr2=1874,1875,1125,1126,
&end
#
# 13 LEU HG 121 ARG HD- 5.50 (# 2495:20 Unique 3.33, 5.36 A)
&rst
ixpk= 2495, nxpk= 20, iat= 181, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1874,1875,
&end
#
# 75 ARG HN 75 ARG HB- 7.00 (# 2496:20 Unique 2.80, 3.61 A)
&rst
ixpk= 2496, nxpk= 20, iat=1115, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1119,1120,
&end
#
# 0 AMB 20-2:2497 0 AMB 20-1:2497 4.50 (# 2497:20 Double Ambig)
&rst
ixpk= 2497, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 538, 539, 540, 449, 450, 451,
igr2=1468,1469,1468,1469,1468,1469,
&end
#
# 100 VAL MGX 0 AMB 20-1:2498 7.00 (# 2498:20 Single Ambig)
&rst
ixpk= 2498, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.89, r4=12.64,
igr1=1524,1525,1526,1528,1529,1530,
igr2=1468,1469,1468,1469,
&end
#
# 96 ALA MB 0 AMB 20-1:2499 5.50 (# 2499:20 Single Ambig)
&rst
ixpk= 2499, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1458,1459,1460,
igr2=1468,1469,1468,1469,
&end
#
# 6 GLN HG+ 75 ARG HB- 5.50 (# 2500:20 Unique 3.96, 6.21 A)
&rst
ixpk= 2500, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 80, 81,
igr2=1119,1120,
&end
#
# 120 LEU MDX 120 LEU HG 2.80 (# 2501:20 Unique 2.38, 2.65 A)
&rst
ixpk= 2501, nxpk= 20, iat= -1,1852, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1854,1855,1856,1858,1859,1860,
&end
#
# 75 ARG HD- 75 ARG HG+ 4.50 (# 2502:20 Unique 2.31, 2.69 A)
&rst
ixpk= 2502, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1125,1126,
igr2=1122,1123,
&end
#
# 75 ARG HD- 75 ARG HG- 4.50 (# 2503:20 Unique 2.31, 2.69 A)
&rst
ixpk= 2503, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1125,1126,
igr2=1122,1123,
&end
#
# 75 ARG HD+ 75 ARG HG+ 5.50 (# 2504:20 Unique 2.31, 2.69 A)
&rst
ixpk= 2504, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1125,1126,
igr2=1122,1123,
&end
#
# 17 PHE HE 75 ARG HG+ 5.50 (# 2506:20 Unique 2.26, 5.11 A)
&rst
ixpk= 2506, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 256, 260,
igr2=1122,1123,
&end
#
# 75 ARG HN 75 ARG HG+ 7.00 (# 2508:20 Unique 2.65, 3.40 A)
&rst
ixpk= 2508, nxpk= 20, iat=1115, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1122,1123,
&end
#
# 0 AMB 20-2:2509 0 AMB 20-1:2509 2.80 (# 2509:20 Double Ambig)
&rst
ixpk= 2509, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1562,1563, 868, 869, 868, 869,
igr2=1565,1566,1565,1566,1565,1566,
&end
#
# 75 ARG HG- 75 ARG HD+ 5.50 (# 2510:20 Unique 2.31, 2.69 A)
&rst
ixpk= 2510, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1122,1123,
igr2=1125,1126,
&end
#
# 75 ARG HG+ 75 ARG HD+ 5.50 (# 2511:20 Unique 2.31, 2.69 A)
&rst
ixpk= 2511, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1122,1123,
igr2=1125,1126,
&end
#
# 0 AMB 20-2:2513 0 AMB 20-1:2513 3.50 (# 2513:20 Double Ambig)
&rst
ixpk= 2513, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1119,1120, 77, 78,
igr2=1122,1123,1122,1123,
&end
#
# 75 ARG HD+ 75 ARG HG- 5.50 (# 2514:20 Unique 2.31, 2.69 A)
&rst
ixpk= 2514, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1125,1126,
igr2=1122,1123,
&end
#
# 0 AMB 20-2:2515 76 VAL HA 4.50 (# 2515:20 Single Ambig)
&rst
ixpk= 2515, nxpk= 20, iat= -1,1141, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 206, 207, 208, 199, 200, 201,
&end
#
# 76 VAL MGX 76 VAL HA 3.50 (# 2516:20 Unique 2.36, 3.19 A)
&rst
ixpk= 2516, nxpk= 20, iat= -1,1141, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1145,1146,1147,1149,1150,1151,
&end
#
# 76 VAL MGY 76 VAL HA 2.80 (# 2517:20 Unique 2.36, 3.19 A)
&rst
ixpk= 2517, nxpk= 20, iat= -1,1141, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1145,1146,1147,1149,1150,1151,
&end
#
# 76 VAL HB 76 VAL HA 5.50 (# 2518:20 Unique 2.46, 2.99 A)
&rst
ixpk= 2518, nxpk= 20, iat=1143,1141, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 15 GLU HN 76 VAL HA 5.50 (# 2519:20 Unique 3.21, 3.50 A)
&rst
ixpk= 2519, nxpk= 20, iat= 212,1141, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 77 ASN HN 76 VAL HA 2.80 (# 2520:20 Unique 2.19, 2.22 A)
&rst
ixpk= 2520, nxpk= 20, iat=1155,1141, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 86 PRO HG+ 86 PRO HB+ 2.80 (# 2522:20 Unique 2.38, 2.63 A)
&rst
ixpk= 2522, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1299,1300,
igr2=1302,1303,
&end
#
# 74 TYR HD 69 VAL HB 5.50 (# 2523:20 Unique 2.53, 4.82 A)
&rst
ixpk= 2523, nxpk= 20, iat= -1,1046, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1102,1111,
&end
#
# 76 VAL HN 76 VAL MGX 2.80 (# 2524:20 Unique 2.27, 4.04 A)
&rst
ixpk= 2524, nxpk= 20, iat=1139, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1145,1146,1147,1149,1150,1151,
&end
#
# 77 ASN HN 76 VAL MGX 5.50 (# 2525:20 Unique 2.70, 4.15 A)
&rst
ixpk= 2525, nxpk= 20, iat=1155, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1145,1146,1147,1149,1150,1151,
&end
#
# 9 LYS HN 76 VAL MGX 3.50 (# 2526:20 Unique 3.56, 5.01 A)
&rst
ixpk= 2526, nxpk= 20, iat= 119, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1145,1146,1147,1149,1150,1151,
&end
#
# 0 AMB 20-2:2527 76 VAL MGX 3.50 (# 2527:20 Single Ambig)
&rst
ixpk= 2527, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 203, 204, 109, 110,
igr2=1145,1146,1147,1149,1150,1151,
&end
#
# 0 AMB 20-2:2528 76 VAL MGX 3.50 (# 2528:20 Single Ambig)
&rst
ixpk= 2528, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 206, 207, 208, 199, 200, 201,
igr2=1145,1146,1147,1149,1150,1151,
&end
#
# 76 VAL HN 76 VAL MGY 4.50 (# 2530:20 Unique 2.27, 4.04 A)
&rst
ixpk= 2530, nxpk= 20, iat=1139, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1145,1146,1147,1149,1150,1151,
&end
#
# 13 LEU HN 76 VAL MGY 5.50 (# 2531:20 Unique 3.20, 5.28 A)
&rst
ixpk= 2531, nxpk= 20, iat= 174, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1145,1146,1147,1149,1150,1151,
&end
#
# 77 ASN HD2- 77 ASN HB+ 5.50 (# 2532:20 Unique 2.41, 3.14 A)
&rst
ixpk= 2532, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1164,1165,
igr2=1159,1160,
&end
#
# 77 ASN HN 77 ASN HB- 7.00 (# 2533:20 Unique 2.87, 3.14 A)
&rst
ixpk= 2533, nxpk= 20, iat=1155, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1159,1160,
&end
#
# 13 LEU MDY 78 ASN HA 2.80 (# 2534:20 Unique 2.19, 4.60 A)
&rst
ixpk= 2534, nxpk= 20, iat= -1,1171, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 183, 184, 185, 187, 188, 189,
&end
#
# 80 LEU HG 78 ASN HA 5.50 (# 2535:20 Unique 4.26, 4.91 A)
&rst
ixpk= 2535, nxpk= 20, iat=1201,1171, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 13 LEU HG 78 ASN HA 5.50 (# 2536:20 Unique 3.23, 3.84 A)
&rst
ixpk= 2536, nxpk= 20, iat= 181,1171, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 78 ASN HB+ 78 ASN HA 3.50 (# 2537:20 Unique 2.49, 2.78 A)
&rst
ixpk= 2537, nxpk= 20, iat= -1,1171, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1173,1174,
&end
#
# 13 LEU HB- 78 ASN HA 4.50 (# 2538:20 Unique 2.54, 3.50 A)
&rst
ixpk= 2538, nxpk= 20, iat= -1,1171, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 178, 179,
&end
#
# 78 ASN HB- 78 ASN HA 2.80 (# 2539:20 Unique 2.49, 2.78 A)
&rst
ixpk= 2539, nxpk= 20, iat= -1,1171, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1173,1174,
&end
#
# 79 SER HN 78 ASN HA 2.80 (# 2541:20 Unique 2.27, 2.55 A)
&rst
ixpk= 2541, nxpk= 20, iat=1183,1171, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 78 ASN HN 78 ASN HA 4.50 (# 2542:20 Unique 2.91, 2.93 A)
&rst
ixpk= 2542, nxpk= 20, iat=1169,1171, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:2543 79 SER HA 7.00 (# 2543:20 Single Ambig)
&rst
ixpk= 2543, nxpk= 20, iat= -1,1185, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1=1238,1164,1165,
&end
#
# 79 SER HN 79 SER HB- 3.50 (# 2544:20 Unique 2.54, 3.07 A)
&rst
ixpk= 2544, nxpk= 20, iat=1183, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1187,1188,
&end
#
# 80 LEU HB+ 80 LEU HA 2.80 (# 2545:20 Unique 2.34, 2.71 A)
&rst
ixpk= 2545, nxpk= 20, iat= -1,1196, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1198,1199,
&end
#
# 80 LEU HN 80 LEU HA 4.50 (# 2546:20 Unique 2.82, 2.84 A)
&rst
ixpk= 2546, nxpk= 20, iat=1194,1196, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 99 MET HN 99 MET HA 2.80 (# 2547:20 Unique 2.86, 2.86 A)
&rst
ixpk= 2547, nxpk= 20, iat=1501,1503, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 100 VAL HN 99 MET HA 4.50 (# 2549:20 Unique 3.51, 3.58 A)
&rst
ixpk= 2549, nxpk= 20, iat=1518,1503, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 84 TYR HE 80 LEU HG 7.00 (# 2551:20 Unique 4.48, 6.76 A)
&rst
ixpk= 2551, nxpk= 20, iat= -1,1201, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1267,1272,
&end
#
# 80 LEU HN 80 LEU MDX 7.00 (# 2554:20 Unique 2.98, 4.14 A)
&rst
ixpk= 2554, nxpk= 20, iat=1194, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 79 SER HB+ 80 LEU MDY 5.50 (# 2556:20 Unique 3.02, 6.36 A)
&rst
ixpk= 2556, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1187,1188,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 118 THR HB 80 LEU MDY 5.50 (# 2558:20 Unique 2.11, 4.14 A)
&rst
ixpk= 2558, nxpk= 20, iat=1818, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 80 LEU HN 80 LEU MDY 5.50 (# 2560:20 Unique 2.98, 4.14 A)
&rst
ixpk= 2560, nxpk= 20, iat=1194, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 0 AMB 20-2:2561 80 LEU MDY 4.50 (# 2561:20 Single Ambig)
&rst
ixpk= 2561, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1828,1909,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 84 TYR HH 80 LEU MDY 3.50 (# 2562:20 Unique 3.16, 4.95 A)
&rst
ixpk= 2562, nxpk= 20, iat=1270, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 81 ASP HB+ 81 ASP HA 3.50 (# 2563:20 Unique 2.51, 2.81 A)
&rst
ixpk= 2563, nxpk= 20, iat= -1,1215, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1217,1218,
&end
#
# 81 ASP HB- 81 ASP HA 3.50 (# 2564:20 Unique 2.51, 2.81 A)
&rst
ixpk= 2564, nxpk= 20, iat= -1,1215, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1217,1218,
&end
#
# 81 ASP HN 81 ASP HA 3.50 (# 2565:20 Unique 2.81, 2.86 A)
&rst
ixpk= 2565, nxpk= 20, iat=1213,1215, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 81 ASP HA 81 ASP HB- 3.50 (# 2566:20 Unique 2.51, 2.81 A)
&rst
ixpk= 2566, nxpk= 20, iat=1215, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1217,1218,
&end
#
# 82 HIS HB- 81 ASP HB- 4.50 (# 2568:20 Unique 3.69, 5.13 A)
&rst
ixpk= 2568, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1229,1230,
igr2=1217,1218,
&end
#
# 82 HIS HB- 81 ASP HB+ 4.50 (# 2569:20 Unique 3.69, 5.13 A)
&rst
ixpk= 2569, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1229,1230,
igr2=1217,1218,
&end
#
# 82 HIS HB- 82 HIS HA 2.80 (# 2570:20 Unique 2.20, 2.66 A)
&rst
ixpk= 2570, nxpk= 20, iat= -1,1227, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1229,1230,
&end
#
# 81 ASP HB- 82 HIS HB- 3.50 (# 2571:20 Unique 3.69, 5.13 A)
&rst
ixpk= 2571, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1217,1218,
igr2=1229,1230,
&end
#
# 81 ASP HB- 82 HIS HB+ 4.50 (# 2572:20 Unique 3.69, 5.13 A)
&rst
ixpk= 2572, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1217,1218,
igr2=1229,1230,
&end
#
# 80 LEU HB- 83 GLU HB+ 2.80 (# 2573:20 Unique 2.89, 4.46 A)
&rst
ixpk= 2573, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1198,1199,
igr2=1246,1247,
&end
#
# 85 GLN HB+ 85 GLN HA 2.80 (# 2574:20 Unique 2.45, 2.80 A)
&rst
ixpk= 2574, nxpk= 20, iat= -1,1280, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1282,1283,
&end
#
# 85 GLN HG+ 85 GLN HA 2.80 (# 2575:20 Unique 2.40, 3.31 A)
&rst
ixpk= 2575, nxpk= 20, iat= -1,1280, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1285,1286,
&end
#
# 86 PRO HD- 85 GLN HA 2.80 (# 2576:20 Unique 2.04, 2.53 A)
&rst
ixpk= 2576, nxpk= 20, iat= -1,1280, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1296,1297,
&end
#
# 86 PRO HD+ 85 GLN HA 2.80 (# 2577:20 Unique 2.04, 2.53 A)
&rst
ixpk= 2577, nxpk= 20, iat= -1,1280, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1296,1297,
&end
#
# 85 GLN HN 85 GLN HA 5.50 (# 2578:20 Unique 2.84, 2.88 A)
&rst
ixpk= 2578, nxpk= 20, iat=1278,1280, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 88 PRO HD+ 88 PRO HG- 2.80 (# 2580:20 Unique 2.26, 2.59 A)
&rst
ixpk= 2580, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1334,1335,
igr2=1337,1338,
&end
#
# 59 GLU HA 103 LYS HD+ 5.50 (# 2581:20 Unique 4.63, 5.45 A)
&rst
ixpk= 2581, nxpk= 20, iat= 866, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1568,1569,
&end
#
# 66 GLU HN 64 ARG HB- 3.50 (# 2582:20 Unique 2.87, 3.69 A)
&rst
ixpk= 2582, nxpk= 20, iat= 999, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 960, 961,
&end
#
# 88 PRO HA 89 VAL HB 4.50 (# 2583:20 Unique 4.40, 4.47 A)
&rst
ixpk= 2583, nxpk= 20, iat=1343,1351, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 62 ARG HG+ 62 ARG HB- 2.80 (# 2584:20 Unique 2.38, 2.77 A)
&rst
ixpk= 2584, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 924, 925,
igr2= 921, 922,
&end
#
# 85 GLN HG+ 86 PRO HG+ 5.50 (# 2587:20 Unique 5.94, 6.90 A)
&rst
ixpk= 2587, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1285,1286,
igr2=1299,1300,
&end
#
# 23 HIS HD2 38 PRO HB+ 7.00 (# 2591:20 Unique 4.18, 5.88 A)
&rst
ixpk= 2591, nxpk= 20, iat= 365, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 597, 598,
&end
#
# 0 AMB 20-2:2592 0 AMB 20-1:2592 5.50 (# 2592:20 Double Ambig)
&rst
ixpk= 2592, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 591, 592, 622, 623,
igr2= 597, 598, 597, 598,
&end
#
# 87 ARG HN 87 ARG HG- 4.50 (# 2593:20 Unique 2.47, 3.59 A)
&rst
ixpk= 2593, nxpk= 20, iat=1309, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1316,1317,
&end
#
# 87 ARG HN 87 ARG HG+ 4.50 (# 2594:20 Unique 2.47, 3.59 A)
&rst
ixpk= 2594, nxpk= 20, iat=1309, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1316,1317,
&end
#
# 87 ARG HB+ 87 ARG HD- 3.50 (# 2595:20 Unique 2.43, 3.46 A)
&rst
ixpk= 2595, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1313,1314,
igr2=1319,1320,
&end
#
# 0 AMB 20-2:2596 0 AMB 20-1:2596 3.50 (# 2596:20 Double Ambig)
&rst
ixpk= 2596, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1316,1317,1313,1314,
igr2=1319,1320,1319,1320,
&end
#
# 88 PRO HD+ 88 PRO HB+ 7.00 (# 2597:20 Unique 2.77, 3.71 A)
&rst
ixpk= 2597, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1334,1335,
igr2=1340,1341,
&end
#
# 91 VAL HN 88 PRO HB- 5.50 (# 2598:20 Unique 2.84, 4.02 A)
&rst
ixpk= 2598, nxpk= 20, iat=1378, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1340,1341,
&end
#
# 91 VAL HN 88 PRO HB+ 4.50 (# 2599:20 Unique 2.84, 4.02 A)
&rst
ixpk= 2599, nxpk= 20, iat=1378, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1340,1341,
&end
#
# 89 VAL HN 88 PRO HB+ 7.00 (# 2600:20 Unique 3.70, 4.04 A)
&rst
ixpk= 2600, nxpk= 20, iat=1347, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1340,1341,
&end
#
# 90 GLU HN 88 PRO HB- 7.00 (# 2601:20 Unique 3.53, 4.32 A)
&rst
ixpk= 2601, nxpk= 20, iat=1363, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1340,1341,
&end
#
# 90 GLU HG+ 88 PRO HB- 7.00 (# 2602:20 Unique 2.46, 4.01 A)
&rst
ixpk= 2602, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1370,1371,
igr2=1340,1341,
&end
#
# 0 AMB 20-2:2603 0 AMB 20-1:2603 7.00 (# 2603:20 Double Ambig)
&rst
ixpk= 2603, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.11, r4=11.86,
igr1= 129, 130,1370,1371,
igr2= 123, 124,1340,1341,
&end
#
# 88 PRO HD- 88 PRO HB+ 7.00 (# 2604:20 Unique 2.77, 3.71 A)
&rst
ixpk= 2604, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1334,1335,
igr2=1340,1341,
&end
#
# 88 PRO HA 88 PRO HB+ 3.50 (# 2605:20 Unique 2.28, 2.52 A)
&rst
ixpk= 2605, nxpk= 20, iat=1343, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1340,1341,
&end
#
# 88 PRO HB+ 88 PRO HG- 2.80 (# 2606:20 Unique 2.36, 2.63 A)
&rst
ixpk= 2606, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1340,1341,
igr2=1337,1338,
&end
#
# 88 PRO HB- 88 PRO HG- 2.80 (# 2607:20 Unique 2.36, 2.63 A)
&rst
ixpk= 2607, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1340,1341,
igr2=1337,1338,
&end
#
# 0 AMB 20-2:2611 89 VAL HA 4.50 (# 2611:20 Single Ambig)
&rst
ixpk= 2611, nxpk= 20, iat= -1,1349, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 157, 158,1396,
&end
#
# 91 VAL HN 89 VAL HA 7.00 (# 2613:20 Unique 3.94, 4.12 A)
&rst
ixpk= 2613, nxpk= 20, iat=1378,1349, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 0 AMB 20-2:2614 0 AMB 20-1:2614 2.80 (# 2614:20 Double Ambig)
&rst
ixpk= 2614, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 513,1351,
igr2= 397, 398, 399,1353,1354,1355,1357,1358,1359,
&end
#
# 89 VAL HA 89 VAL MGY 2.80 (# 2615:20 Unique 2.35, 3.33 A)
&rst
ixpk= 2615, nxpk= 20, iat=1349, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1353,1354,1355,1357,1358,1359,
&end
#
# 90 GLU HN 89 VAL MGY 4.50 (# 2616:20 Unique 2.46, 4.33 A)
&rst
ixpk= 2616, nxpk= 20, iat=1363, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1353,1354,1355,1357,1358,1359,
&end
#
# 11 GLY HA- 89 VAL MGY 7.00 (# 2619:20 Unique 2.15, 4.42 A)
&rst
ixpk= 2619, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 157, 158,
igr2=1353,1354,1355,1357,1358,1359,
&end
#
# 91 VAL HA 90 GLU HA 5.50 (# 2620:20 Unique 4.69, 4.74 A)
&rst
ixpk= 2620, nxpk= 20, iat=1380,1365, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 90 GLU HB- 90 GLU HG+ 2.80 (# 2623:20 Unique 2.26, 2.75 A)
&rst
ixpk= 2623, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1367,1368,
igr2=1370,1371,
&end
#
# 92 ILE HG1+ 90 GLU HG+ 5.50 (# 2625:20 Unique 5.93, 7.31 A)
&rst
ixpk= 2625, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1404,1405,
igr2=1370,1371,
&end
#
# 91 VAL HB 91 VAL HA 3.50 (# 2626:20 Unique 3.02, 3.03 A)
&rst
ixpk= 2626, nxpk= 20, iat=1382,1380, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 91 VAL HN 91 VAL HA 3.50 (# 2627:20 Unique 2.88, 2.89 A)
&rst
ixpk= 2627, nxpk= 20, iat=1378,1380, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 94 SER HN 91 VAL HA 5.50 (# 2628:20 Unique 3.10, 3.29 A)
&rst
ixpk= 2628, nxpk= 20, iat=1432,1380, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 92 ILE HN 91 VAL HA 5.50 (# 2629:20 Unique 3.58, 3.60 A)
&rst
ixpk= 2629, nxpk= 20, iat=1394,1380, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 88 PRO HD- 91 VAL HB 4.50 (# 2630:20 Unique 3.48, 4.35 A)
&rst
ixpk= 2630, nxpk= 20, iat= -1,1382, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1334,1335,
&end
#
# 101 GLY HN 100 VAL MGY 2.80 (# 2632:20 Unique 2.56, 4.07 A)
&rst
ixpk= 2632, nxpk= 20, iat=1534, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1524,1525,1526,1528,1529,1530,
&end
#
# 62 ARG HN 100 VAL MGY 3.50 (# 2633:20 Unique 3.23, 4.18 A)
&rst
ixpk= 2633, nxpk= 20, iat= 917, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1524,1525,1526,1528,1529,1530,
&end
#
# 88 PRO HB+ 91 VAL MGX 3.50 (# 2634:20 Unique 2.33, 5.47 A)
&rst
ixpk= 2634, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1340,1341,
igr2=1384,1385,1386,1388,1389,1390,
&end
#
# 34 ILE HG1+ 100 VAL MGY 4.50 (# 2635:20 Unique 2.35, 4.88 A)
&rst
ixpk= 2635, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 535, 536,
igr2=1524,1525,1526,1528,1529,1530,
&end
#
# 124 LYS HA 91 VAL MGY 5.50 (# 2637:20 Unique 2.44, 5.75 A)
&rst
ixpk= 2637, nxpk= 20, iat=1918, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1384,1385,1386,1388,1389,1390,
&end
#
# 89 VAL HA 92 ILE HA 5.50 (# 2638:20 Unique 4.99, 5.21 A)
&rst
ixpk= 2638, nxpk= 20, iat=1349,1396, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 95 SER HB- 92 ILE HA 4.50 (# 2639:20 Unique 2.49, 3.34 A)
&rst
ixpk= 2639, nxpk= 20, iat= -1,1396, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1447,1448,
&end
#
# 93 ILE QD1 92 ILE HB 5.50 (# 2640:20 Unique 2.53, 5.08 A)
&rst
ixpk= 2640, nxpk= 20, iat= -1,1398, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1426,1427,1428,
&end
#
# 92 ILE HN 92 ILE HG1- 4.50 (# 2641:20 Unique 1.91, 2.58 A)
&rst
ixpk= 2641, nxpk= 20, iat=1394, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1404,1405,
&end
#
# 92 ILE HN 92 ILE QG2 4.50 (# 2642:20 Unique 4.46, 4.59 A)
&rst
ixpk= 2642, nxpk= 20, iat=1394, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1400,1401,1402,
&end
#
# 91 VAL HN 92 ILE QD1 5.50 (# 2643:20 Unique 5.79, 6.26 A)
&rst
ixpk= 2643, nxpk= 20, iat=1378, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1407,1408,1409,
&end
#
# 89 VAL HB 92 ILE QD1 4.50 (# 2644:20 Unique 3.46, 5.22 A)
&rst
ixpk= 2644, nxpk= 20, iat=1351, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1407,1408,1409,
&end
#
# 0 AMB 20-2:2645 92 ILE QD1 5.50 (# 2645:20 Single Ambig)
&rst
ixpk= 2645, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1302,1303,1417,
igr2=1407,1408,1409,
&end
#
# 92 ILE HG1- 92 ILE QD1 2.80 (# 2646:20 Unique 2.33, 2.66 A)
&rst
ixpk= 2646, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1404,1405,
igr2=1407,1408,1409,
&end
#
# 92 ILE QG2 92 ILE QD1 3.50 (# 2647:20 Preassigned 2.21, 3.68 A)
&rst
ixpk= 2647, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1400,1401,1402,
igr2=1407,1408,1409,
&end
#
# 93 ILE HG1- 93 ILE HA 3.50 (# 2648:20 Unique 2.39, 2.74 A)
&rst
ixpk= 2648, nxpk= 20, iat= -1,1415, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1423,1424,
&end
#
# 97 LYS HN 93 ILE HA 4.50 (# 2649:20 Unique 3.88, 3.94 A)
&rst
ixpk= 2649, nxpk= 20, iat=1464,1415, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 89 VAL MGX 93 ILE HG1- 2.80 (# 2650:20 Unique 2.80, 5.57 A)
&rst
ixpk= 2650, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1353,1354,1355,1357,1358,1359,
igr2=1423,1424,
&end
#
# 90 GLU HA 93 ILE HG1+ 5.50 (# 2651:20 Unique 3.10, 4.83 A)
&rst
ixpk= 2651, nxpk= 20, iat=1365, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1423,1424,
&end
#
# 28 ILE HA 93 ILE HG1+ 7.00 (# 2652:20 Unique 2.36, 3.25 A)
&rst
ixpk= 2652, nxpk= 20, iat= 445, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1423,1424,
&end
#
# 28 ILE HA 93 ILE HG1- 7.00 (# 2653:20 Unique 2.36, 3.25 A)
&rst
ixpk= 2653, nxpk= 20, iat= 445, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1423,1424,
&end
#
# 94 SER HN 93 ILE HG1- 7.00 (# 2654:20 Unique 4.60, 4.90 A)
&rst
ixpk= 2654, nxpk= 20, iat=1432, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1423,1424,
&end
#
# 96 ALA MB 34 ILE QG2 2.80 (# 2655:20 Unique 2.24, 4.12 A)
&rst
ixpk= 2655, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1=1458,1459,1460,
igr2= 531, 532, 533,
&end
#
# 97 LYS HE+ 93 ILE QG2 3.50 (# 2656:20 Unique 2.28, 3.70 A)
&rst
ixpk= 2656, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1477,1478,
igr2=1419,1420,1421,
&end
#
# 93 ILE HN 93 ILE QG2 4.50 (# 2657:20 Unique 4.12, 4.40 A)
&rst
ixpk= 2657, nxpk= 20, iat=1413, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1419,1420,1421,
&end
#
# 93 ILE HB 93 ILE QD1 2.80 (# 2659:20 Unique 2.48, 3.23 A)
&rst
ixpk= 2659, nxpk= 20, iat=1417, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1426,1427,1428,
&end
#
# 94 SER HN 93 ILE QD1 5.50 (# 2660:20 Unique 4.84, 5.77 A)
&rst
ixpk= 2660, nxpk= 20, iat=1432, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1426,1427,1428,
&end
#
# 0 AMB 20-2:2661 93 ILE QD1 7.00 (# 2661:20 Single Ambig)
&rst
ixpk= 2661, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 443,1464,
igr2=1426,1427,1428,
&end
#
# 93 ILE HN 94 SER HA 5.50 (# 2662:20 Unique 5.40, 5.43 A)
&rst
ixpk= 2662, nxpk= 20, iat=1413,1434, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 95 SER HB+ 95 SER HA 2.80 (# 2663:20 Unique 2.31, 2.77 A)
&rst
ixpk= 2663, nxpk= 20, iat= -1,1445, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1447,1448,
&end
#
# 0 AMB 20-2:2664 94 SER HA 5.50 (# 2664:20 Single Ambig)
&rst
ixpk= 2664, nxpk= 20, iat= -1,1434, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1380,1447,1448,
&end
#
# 92 ILE HA 95 SER HB+ 5.50 (# 2665:20 Unique 2.49, 3.34 A)
&rst
ixpk= 2665, nxpk= 20, iat=1396, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1447,1448,
&end
#
# 92 ILE HA 95 SER HB- 7.00 (# 2666:20 Unique 2.49, 3.34 A)
&rst
ixpk= 2666, nxpk= 20, iat=1396, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1447,1448,
&end
#
# 96 ALA HN 95 SER HB+ 4.50 (# 2668:20 Unique 2.52, 3.15 A)
&rst
ixpk= 2668, nxpk= 20, iat=1454, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1447,1448,
&end
#
# 96 ALA HN 95 SER HB- 4.50 (# 2669:20 Unique 2.52, 3.15 A)
&rst
ixpk= 2669, nxpk= 20, iat=1454, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1447,1448,
&end
#
# 100 VAL HN 96 ALA HA 7.00 (# 2672:20 Unique 3.88, 4.15 A)
&rst
ixpk= 2672, nxpk= 20, iat=1518,1456, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 34 ILE QG2 96 ALA MB 3.50 (# 2673:20 Unique 2.24, 4.12 A)
&rst
ixpk= 2673, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 531, 532, 533,
igr2=1458,1459,1460,
&end
#
# 96 ALA HA 96 ALA MB 2.80 (# 2674:20 Unique 2.41, 2.68 A)
&rst
ixpk= 2674, nxpk= 20, iat=1456, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1458,1459,1460,
&end
#
# 97 LYS HD+ 97 LYS HA 4.50 (# 2675:20 Unique 4.40, 4.52 A)
&rst
ixpk= 2675, nxpk= 20, iat= -1,1466, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1474,1475,
&end
#
# 100 VAL MGY 97 LYS HA 5.50 (# 2676:20 Unique 2.62, 4.41 A)
&rst
ixpk= 2676, nxpk= 20, iat= -1,1466, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1524,1525,1526,1528,1529,1530,
&end
#
# 96 ALA MB 97 LYS HA 7.00 (# 2677:20 Unique 4.30, 4.98 A)
&rst
ixpk= 2677, nxpk= 20, iat= -1,1466, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1=1458,1459,1460,
&end
#
# 0 AMB 20-2:2678 97 LYS HA 2.80 (# 2678:20 Single Ambig)
&rst
ixpk= 2678, nxpk= 20, iat= -1,1466, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1468,1469,1468,1469,
&end
#
# 97 LYS HE- 97 LYS HG- 4.50 (# 2680:20 Unique 2.42, 2.81 A)
&rst
ixpk= 2680, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1477,1478,
igr2=1471,1472,
&end
#
# 0 AMB 20-2:2681 0 AMB 20-1:2681 2.80 (# 2681:20 Double Ambig)
&rst
ixpk= 2681, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1468,1469,1468,1469,
igr2=1471,1472,1471,1472,
&end
#
# 28 ILE QD1 97 LYS HD+ 5.50 (# 2683:20 Unique 4.94, 6.13 A)
&rst
ixpk= 2683, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 456, 457, 458,
igr2=1474,1475,
&end
#
# 0 AMB 20-2:2684 0 AMB 20-1:2684 3.50 (# 2684:20 Double Ambig)
&rst
ixpk= 2684, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.80, r4= 7.55,
igr1= 538, 539, 540, 449, 450, 451,1426,1427,1428,
igr2=1474,1475,1474,1475,1474,1475,
&end
#
# 0 AMB 20-2:2686 0 AMB 20-1:2686 2.80 (# 2686:20 Double Ambig)
&rst
ixpk= 2686, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1493,1494,1493,1494,
igr2=1490,1491,1490,1491,
&end
#
# 0 AMB 20-2:2687 0 AMB 20-1:2687 5.50 (# 2687:20 Double Ambig)
&rst
ixpk= 2687, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1508,1509,1508,1509,
igr2=1490,1491,1490,1491,
&end
#
# 0 AMB 20-2:2688 0 AMB 20-1:2688 7.00 (# 2688:20 Double Ambig)
&rst
ixpk= 2688, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.11, r4=11.86,
igr1=1471,1472,1471,1472,
igr2=1490,1491,1490,1491,
&end
#
# 0 AMB 20-2:2689 98 GLU HG- 2.80 (# 2689:20 Single Ambig)
&rst
ixpk= 2689, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1490,1491,1490,1491,
igr2=1493,1494,
&end
#
# 0 AMB 20-2:2690 0 AMB 20-1:2690 2.80 (# 2690:20 Double Ambig)
&rst
ixpk= 2690, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1490,1491,1490,1491,
igr2=1493,1494,1493,1494,
&end
#
# 96 ALA HA 99 MET HG+ 4.50 (# 2691:20 Unique 3.62, 3.97 A)
&rst
ixpk= 2691, nxpk= 20, iat=1456, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1508,1509,
&end
#
# 116 PHE HE 99 MET HG+ 4.50 (# 2692:20 Unique 2.40, 5.28 A)
&rst
ixpk= 2692, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1788,1792,
igr2=1508,1509,
&end
#
# 99 MET HN 99 MET ME 5.50 (# 2693:20 Unique 5.51, 5.99 A)
&rst
ixpk= 2693, nxpk= 20, iat=1501, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1512,1513,1514,
&end
#
# 116 PHE HD 99 MET ME 4.50 (# 2694:20 Unique 2.53, 5.06 A)
&rst
ixpk= 2694, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1786,1794,
igr2=1512,1513,1514,
&end
#
# 116 PHE HE 99 MET ME 3.50 (# 2695:20 Unique 2.22, 4.96 A)
&rst
ixpk= 2695, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1788,1792,
igr2=1512,1513,1514,
&end
#
# 99 MET HA 99 MET ME 4.50 (# 2696:20 Unique 3.72, 4.53 A)
&rst
ixpk= 2696, nxpk= 20, iat=1503, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1512,1513,1514,
&end
#
# 99 MET HG+ 99 MET ME 3.50 (# 2697:20 Unique 2.37, 3.59 A)
&rst
ixpk= 2697, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1508,1509,
igr2=1512,1513,1514,
&end
#
# 99 MET HG- 99 MET ME 5.50 (# 2698:20 Unique 2.37, 3.59 A)
&rst
ixpk= 2698, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1508,1509,
igr2=1512,1513,1514,
&end
#
# 60 VAL MGY 99 MET ME 2.80 (# 2699:20 Unique 2.62, 5.50 A)
&rst
ixpk= 2699, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 885, 886, 887, 889, 890, 891,
igr2=1512,1513,1514,
&end
#
# 120 LEU MDX 99 MET ME 2.80 (# 2700:20 Unique 3.17, 5.84 A)
&rst
ixpk= 2700, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1854,1855,1856,1858,1859,1860,
igr2=1512,1513,1514,
&end
#
# 34 ILE QG2 100 VAL HA 5.50 (# 2701:20 Unique 3.82, 4.83 A)
&rst
ixpk= 2701, nxpk= 20, iat= -1,1520, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 531, 532, 533,
&end
#
# 0 AMB 20-2:2702 100 VAL HA 5.50 (# 2702:20 Single Ambig)
&rst
ixpk= 2702, nxpk= 20, iat= -1,1520, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1536,1537,1466,
&end
#
# 101 GLY HA- 100 VAL MGX 5.50 (# 2703:20 Unique 3.66, 5.63 A)
&rst
ixpk= 2703, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1536,1537,
igr2=1524,1525,1526,1528,1529,1530,
&end
#
# 61 LYS HN 100 VAL MGX 5.50 (# 2704:20 Unique 3.61, 5.33 A)
&rst
ixpk= 2704, nxpk= 20, iat= 895, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1524,1525,1526,1528,1529,1530,
&end
#
# 62 ARG HN 100 VAL MGX 7.00 (# 2705:20 Unique 3.23, 4.18 A)
&rst
ixpk= 2705, nxpk= 20, iat= 917, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr2=1524,1525,1526,1528,1529,1530,
&end
#
# 100 VAL HN 100 VAL MGY 3.50 (# 2707:20 Unique 2.16, 3.93 A)
&rst
ixpk= 2707, nxpk= 20, iat=1518, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1524,1525,1526,1528,1529,1530,
&end
#
# 101 GLY HA- 100 VAL MGY 4.50 (# 2708:20 Unique 3.66, 5.63 A)
&rst
ixpk= 2708, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1536,1537,
igr2=1524,1525,1526,1528,1529,1530,
&end
#
# 59 GLU HG+ 101 GLY HA- 7.00 (# 2709:20 Unique 3.25, 4.62 A)
&rst
ixpk= 2709, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 871, 872,
igr2=1536,1537,
&end
#
# 103 LYS HN 102 GLN HA 2.80 (# 2711:20 Unique 2.17, 2.29 A)
&rst
ixpk= 2711, nxpk= 20, iat=1558,1543, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 101 GLY HN 102 GLN HA 7.00 (# 2712:20 Unique 5.09, 5.13 A)
&rst
ixpk= 2712, nxpk= 20, iat=1534,1543, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 99 MET HA 102 GLN HB- 5.50 (# 2714:20 Unique 3.20, 4.05 A)
&rst
ixpk= 2714, nxpk= 20, iat=1503, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1545,1546,
&end
#
# 102 GLN HE2+ 102 GLN HA 7.00 (# 2715:20 Unique 5.26, 5.71 A)
&rst
ixpk= 2715, nxpk= 20, iat= -1,1543, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1553,1554,
&end
#
# 57 SER HB- 103 LYS HD+ 5.50 (# 2716:20 Unique 2.86, 4.83 A)
&rst
ixpk= 2716, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 847, 848,
igr2=1568,1569,
&end
#
# 103 LYS HN 103 LYS HD+ 4.50 (# 2717:20 Unique 2.64, 4.74 A)
&rst
ixpk= 2717, nxpk= 20, iat=1558, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1568,1569,
&end
#
# 103 LYS HA 103 LYS HE+ 4.50 (# 2719:20 Unique 4.27, 5.04 A)
&rst
ixpk= 2719, nxpk= 20, iat=1560, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1571,1572,
&end
#
# 0 AMB 20-2:2720 104 MET HB- 7.00 (# 2720:20 Single Ambig)
&rst
ixpk= 2720, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1580, 854,
igr2=1584,1585,
&end
#
# 104 MET HA 104 MET ME 5.50 (# 2721:20 Unique 4.19, 5.29 A)
&rst
ixpk= 2721, nxpk= 20, iat=1582, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1591,1592,1593,
&end
#
# 105 LYS HE+ 105 LYS HG+ 3.50 (# 2724:20 Unique 2.42, 3.00 A)
&rst
ixpk= 2724, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1610,1611,
igr2=1604,1605,
&end
#
# 103 LYS HA 103 LYS HG- 4.50 (# 2725:20 Unique 2.36, 2.72 A)
&rst
ixpk= 2725, nxpk= 20, iat=1560, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1565,1566,
&end
#
# 87 ARG HN 87 ARG HB+ 5.50 (# 2726:20 Unique 2.15, 3.10 A)
&rst
ixpk= 2726, nxpk= 20, iat=1309, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1313,1314,
&end
#
# 0 AMB 20-2:2727 0 AMB 20-1:2727 3.50 (# 2727:20 Double Ambig)
&rst
ixpk= 2727, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.53, r4= 7.28,
igr1=1604,1605,1458,1459,1460,1920,1921,
igr2=1607,1608, 535, 536,1313,1314,
&end
#
# 40 SER HN 40 SER HA 5.50 (# 2728:20 Unique 2.28, 2.88 A)
&rst
ixpk= 2728, nxpk= 20, iat= 618, 620, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 42 TYR HB+ 42 TYR HA 4.50 (# 2730:20 Unique 2.31, 2.70 A)
&rst
ixpk= 2730, nxpk= 20, iat= -1, 646, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 648, 649,
&end
#
# 43 PRO HD+ 42 TYR HA 3.50 (# 2731:20 Unique 2.01, 2.63 A)
&rst
ixpk= 2731, nxpk= 20, iat= -1, 646, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 666, 667,
&end
#
# 42 TYR HD 42 TYR HA 4.50 (# 2732:20 Unique 2.33, 3.63 A)
&rst
ixpk= 2732, nxpk= 20, iat= -1, 646, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 652, 661,
&end
#
# 42 TYR HN 42 TYR HA 3.50 (# 2733:20 Unique 2.19, 2.81 A)
&rst
ixpk= 2733, nxpk= 20, iat= 644, 646, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:2734 42 TYR HA 7.00 (# 2734:20 Single Ambig)
&rst
ixpk= 2734, nxpk= 20, iat= -1, 646, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 648, 649, 833, 834,
&end
#
# 36 LEU MDY 113 CYS HA 3.50 (# 2735:20 Unique 2.13, 4.51 A)
&rst
ixpk= 2735, nxpk= 20, iat= -1,1737, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 570, 571, 572, 574, 575, 576,
&end
#
# 113 CYS HB- 113 CYS HA 3.50 (# 2736:20 Unique 2.35, 2.69 A)
&rst
ixpk= 2736, nxpk= 20, iat= -1,1737, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1739,1740,
&end
#
# 36 LEU HN 113 CYS HB- 5.50 (# 2741:20 Unique 3.01, 4.41 A)
&rst
ixpk= 2741, nxpk= 20, iat= 561, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1739,1740,
&end
#
# 36 LEU HN 113 CYS HB+ 7.00 (# 2742:20 Unique 3.01, 4.41 A)
&rst
ixpk= 2742, nxpk= 20, iat= 561, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1739,1740,
&end
#
# 114 GLU HG- 114 GLU HA 3.50 (# 2743:20 Unique 2.33, 3.23 A)
&rst
ixpk= 2743, nxpk= 20, iat= -1,1748, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1753,1754,
&end
#
# 24 TRP HB+ 114 GLU HA 3.50 (# 2744:20 Unique 2.34, 2.99 A)
&rst
ixpk= 2744, nxpk= 20, iat= -1,1748, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 373, 374,
&end
#
# 114 GLU HN 114 GLU HB- 5.50 (# 2745:20 Unique 2.38, 2.84 A)
&rst
ixpk= 2745, nxpk= 20, iat=1746, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1750,1751,
&end
#
# 114 GLU HA 114 GLU HB- 5.50 (# 2746:20 Unique 2.18, 2.64 A)
&rst
ixpk= 2746, nxpk= 20, iat=1748, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1750,1751,
&end
#
# 114 GLU HA 114 GLU HB+ 5.50 (# 2747:20 Unique 2.18, 2.64 A)
&rst
ixpk= 2747, nxpk= 20, iat=1748, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1750,1751,
&end
#
# 114 GLU HN 114 GLU HB+ 4.50 (# 2748:20 Unique 2.38, 2.84 A)
&rst
ixpk= 2748, nxpk= 20, iat=1746, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1750,1751,
&end
#
# 114 GLU HA 114 GLU HG+ 5.50 (# 2749:20 Unique 2.33, 3.23 A)
&rst
ixpk= 2749, nxpk= 20, iat=1748, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1753,1754,
&end
#
# 53 VAL HN 0 AMB 20-1:2751 5.50 (# 2751:20 Single Ambig)
&rst
ixpk= 2751, nxpk= 20, iat= 783, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 774, 727,
&end
#
# 49 SER HA 0 AMB 20-1:2752 2.80 (# 2752:20 Single Ambig)
&rst
ixpk= 2752, nxpk= 20, iat= 727, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2= 729, 730, 776, 777,
&end
#
# 116 PHE HN 115 HIS HB- 4.50 (# 2753:20 Unique 2.59, 3.35 A)
&rst
ixpk= 2753, nxpk= 20, iat=1778, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1765,1766,
&end
#
# 115 HIS HN 115 HIS HB- 4.50 (# 2754:20 Unique 2.22, 2.76 A)
&rst
ixpk= 2754, nxpk= 20, iat=1761, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1765,1766,
&end
#
# 115 HIS HD2 115 HIS HB+ 4.50 (# 2755:20 Unique 2.54, 3.25 A)
&rst
ixpk= 2755, nxpk= 20, iat=1774, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1765,1766,
&end
#
# 116 PHE HN 116 PHE HB+ 3.50 (# 2757:20 Unique 2.20, 2.52 A)
&rst
ixpk= 2757, nxpk= 20, iat=1778, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1782,1783,
&end
#
# 100 VAL HA 60 VAL HB 2.80 (# 2759:20 Unique 2.25, 2.38 A)
&rst
ixpk= 2759, nxpk= 20, iat=1520, 883, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 20-2:2760 0 AMB 20-1:2760 7.00 (# 2760:20 Double Ambig)
&rst
ixpk= 2760, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 405,1560,
igr2=1802, 883,
&end
#
# 0 AMB 20-2:2761 0 AMB 20-1:2761 7.00 (# 2761:20 Double Ambig)
&rst
ixpk= 2761, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
igr1=1798,1518,1788,1792,
igr2=1802, 883,
&end
#
# 116 PHE HD 117 VAL MGY 5.50 (# 2763:20 Unique 2.24, 5.64 A)
&rst
ixpk= 2763, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1786,1794,
igr2=1804,1805,1806,1808,1809,1810,
&end
#
# 25 ALA HN 117 VAL MGY 5.50 (# 2764:20 Unique 3.09, 4.56 A)
&rst
ixpk= 2764, nxpk= 20, iat= 393, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1804,1805,1806,1808,1809,1810,
&end
#
# 121 ARG HN 120 LEU HA 7.00 (# 2768:20 Unique 3.50, 3.53 A)
&rst
ixpk= 2768, nxpk= 20, iat=1864,1847, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 119 GLN HG- 119 GLN HA 4.50 (# 2769:20 Unique 2.39, 3.01 A)
&rst
ixpk= 2769, nxpk= 20, iat= -1,1830, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1835,1836,
&end
#
# 0 AMB 20-2:2770 119 GLN HA 5.50 (# 2770:20 Single Ambig)
&rst
ixpk= 2770, nxpk= 20, iat= -1,1830, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1818,1780,
&end
#
# 119 GLN HN 119 GLN HA 2.80 (# 2771:20 Unique 2.82, 2.83 A)
&rst
ixpk= 2771, nxpk= 20, iat=1828,1830, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 121 ARG HG- 121 ARG HA 5.50 (# 2772:20 Unique 2.31, 2.80 A)
&rst
ixpk= 2772, nxpk= 20, iat= -1,1866, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1871,1872,
&end
#
# 0 AMB 20-2:2773 121 ARG HB- 7.00 (# 2773:20 Single Ambig)
&rst
ixpk= 2773, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.33, r4=12.08,
igr1=1400,1401,1402, 412, 413, 414, 416, 417, 418,
igr2=1868,1869,
&end
#
# 13 LEU MDX 121 ARG HB- 7.00 (# 2774:20 Unique 2.81, 5.24 A)
&rst
ixpk= 2774, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 183, 184, 185, 187, 188, 189,
igr2=1868,1869,
&end
#
# 121 ARG HA 121 ARG HB- 5.50 (# 2775:20 Unique 2.43, 2.76 A)
&rst
ixpk= 2775, nxpk= 20, iat=1866, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1868,1869,
&end
#
# 92 ILE QD1 121 ARG HG- 5.50 (# 2778:20 Unique 2.26, 4.10 A)
&rst
ixpk= 2778, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1407,1408,1409,
igr2=1871,1872,
&end
#
# 121 ARG HB- 121 ARG HG- 5.50 (# 2779:20 Unique 2.42, 2.77 A)
&rst
ixpk= 2779, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1868,1869,
igr2=1871,1872,
&end
#
# 121 ARG HB+ 121 ARG HG- 4.50 (# 2780:20 Unique 2.42, 2.77 A)
&rst
ixpk= 2780, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1868,1869,
igr2=1871,1872,
&end
#
# 121 ARG HA 121 ARG HG- 7.00 (# 2782:20 Unique 2.31, 2.80 A)
&rst
ixpk= 2782, nxpk= 20, iat=1866, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1871,1872,
&end
#
# 121 ARG HA 121 ARG HG+ 4.50 (# 2783:20 Unique 2.31, 2.80 A)
&rst
ixpk= 2783, nxpk= 20, iat=1866, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1871,1872,
&end
#
# 92 ILE QD1 121 ARG HG+ 2.80 (# 2784:20 Unique 2.26, 4.10 A)
&rst
ixpk= 2784, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1407,1408,1409,
igr2=1871,1872,
&end
#
# 64 ARG HB- 64 ARG HD- 2.80 (# 2785:20 Unique 2.40, 3.08 A)
&rst
ixpk= 2785, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 960, 961,
igr2= 966, 967,
&end
#
# 64 ARG HG+ 64 ARG HD+ 2.80 (# 2786:20 Unique 2.33, 2.68 A)
&rst
ixpk= 2786, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 963, 964,
igr2= 966, 967,
&end
#
# 64 ARG HB- 64 ARG HD+ 2.80 (# 2787:20 Unique 2.40, 3.08 A)
&rst
ixpk= 2787, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 960, 961,
igr2= 966, 967,
&end
#
# 64 ARG HG+ 64 ARG HD- 2.80 (# 2788:20 Unique 2.33, 2.68 A)
&rst
ixpk= 2788, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 963, 964,
igr2= 966, 967,
&end
#
# 66 GLU HB- 64 ARG HD- 7.00 (# 2789:20 Unique 3.60, 5.96 A)
&rst
ixpk= 2789, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1003,1004,
igr2= 966, 967,
&end
#
# 122 TYR HN 122 TYR HB+ 4.50 (# 2791:20 Unique 2.33, 2.50 A)
&rst
ixpk= 2791, nxpk= 20, iat=1888, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1892,1893,
&end
#
# 124 LYS HE+ 124 LYS HG+ 4.50 (# 2793:20 Unique 2.28, 3.00 A)
&rst
ixpk= 2793, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1929,1930,
igr2=1923,1924,
&end
#
# 124 LYS HD- 124 LYS HG+ 2.80 (# 2794:20 Unique 2.25, 2.72 A)
&rst
ixpk= 2794, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1926,1927,
igr2=1923,1924,
&end
#
# 124 LYS HA 124 LYS HG+ 5.50 (# 2795:20 Unique 2.60, 3.97 A)
&rst
ixpk= 2795, nxpk= 20, iat=1918, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1923,1924,
&end
#
# 124 LYS HN 124 LYS HG+ 7.00 (# 2796:20 Unique 2.03, 2.97 A)
&rst
ixpk= 2796, nxpk= 20, iat=1916, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1923,1924,
&end
#
# 124 LYS HN 124 LYS HG- 7.00 (# 2797:20 Unique 2.03, 2.97 A)
&rst
ixpk= 2797, nxpk= 20, iat=1916, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1923,1924,
&end
#
# 124 LYS HA 0 AMB 20-1:2798 5.50 (# 2798:20 Single Ambig)
&rst
ixpk= 2798, nxpk= 20, iat=1918, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1926,1927,1926,1927,
&end
#
# 124 LYS HG- 124 LYS HE- 5.50 (# 2799:20 Unique 2.28, 3.00 A)
&rst
ixpk= 2799, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1923,1924,
igr2=1929,1930,
&end
#
# 124 LYS HG+ 124 LYS HE- 5.50 (# 2800:20 Unique 2.28, 3.00 A)
&rst
ixpk= 2800, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1923,1924,
igr2=1929,1930,
&end
#
# 124 LYS HG+ 124 LYS HE+ 5.50 (# 2801:20 Unique 2.28, 3.00 A)
&rst
ixpk= 2801, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1923,1924,
igr2=1929,1930,
&end
#
# 16 ILE HA 74 TYR HB- 5.50 (# 2802:20 Unique 2.61, 2.91 A)
&rst
ixpk= 2802, nxpk= 20, iat= 229, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1098,1099,
&end
#
# 57 SER HN 57 SER HB+ 7.00 (# 2804:20 Unique 2.42, 3.25 A)
&rst
ixpk= 2804, nxpk= 20, iat= 843, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 847, 848,
&end
#
# 0 AMB 20-2:2806 124 LYS HB- 3.50 (# 2806:20 Single Ambig)
&rst
ixpk= 2806, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1926,1927,1926,1927,
igr2=1920,1921,
&end
#
# 35 HIS HD2 33 VAL MGX 4.50 (# 2808:20 Unique 2.31, 4.72 A)
&rst
ixpk= 2808, nxpk= 20, iat= 557, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 515, 516, 517, 519, 520, 521,
&end
#
# 74 TYR HE 69 VAL MGY 4.50 (# 2809:20 Unique 2.66, 5.32 A)
&rst
ixpk= 2809, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1104,1109,
igr2=1048,1049,1050,1052,1053,1054,
&end
#
# 0 AMB 20-2:2810 28 ILE QD1 4.50 (# 2810:20 Single Ambig)
&rst
ixpk= 2810, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1477,1478, 473, 474,
igr2= 456, 457, 458,
&end
#
# 93 ILE QD1 11 GLY HA- 5.50 (# 2811:20 Unique 2.83, 4.53 A)
&rst
ixpk= 2811, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1426,1427,1428,
igr2= 157, 158,
&end
#
# 95 SER HN 92 ILE HA 7.00 (# 2814:20 Unique 3.51, 3.61 A)
&rst
ixpk= 2814, nxpk= 20, iat=1443,1396, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 116 PHE HN 115 HIS HA 7.00 (# 2815:20 Unique 3.42, 3.58 A)
&rst
ixpk= 2815, nxpk= 20, iat=1778,1763, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 73 CYS HN 73 CYS HA 4.50 (# 2820:20 Unique 2.92, 2.97 A)
&rst
ixpk= 2820, nxpk= 20, iat=1083,1085, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 87 ARG HN 87 ARG HA 4.50 (# 2821:20 Unique 2.91, 2.98 A)
&rst
ixpk= 2821, nxpk= 20, iat=1309,1311, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 43 PRO HD- 43 PRO HB+ 7.00 (# 2824:20 Unique 2.77, 3.67 A)
&rst
ixpk= 2824, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 666, 667,
igr2= 672, 673,
&end
#
# 96 ALA HN 94 SER HA 4.50 (# 2825:20 Unique 4.47, 4.51 A)
&rst
ixpk= 2825, nxpk= 20, iat=1454,1434, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 96 ALA HN 95 SER HA 4.50 (# 2827:20 Unique 3.59, 3.62 A)
&rst
ixpk= 2827, nxpk= 20, iat=1454,1445, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 21 TYR HD 21 TYR HB+ 3.50 (# 2828:20 Unique 2.33, 3.08 A)
&rst
ixpk= 2828, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 324, 333,
igr2= 320, 321,
&end
#
# 43 PRO HD+ 42 TYR HB+ 7.00 (# 2829:20 Unique 2.19, 3.94 A)
&rst
ixpk= 2829, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 666, 667,
igr2= 648, 649,
&end
#
# 57 SER HA 106 TYR HB- 5.50 (# 2830:20 Unique 2.80, 4.81 A)
&rst
ixpk= 2830, nxpk= 20, iat= 845, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1623,1624,
&end
#
# 43 PRO HD- 42 TYR HB+ 3.50 (# 2831:20 Unique 2.19, 3.94 A)
&rst
ixpk= 2831, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 666, 667,
igr2= 648, 649,
&end
#
# 42 TYR HA 42 TYR HB+ 2.80 (# 2832:20 Preassigned 2.31, 2.70 A)
&rst
ixpk= 2832, nxpk= 20, iat= 646, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 648, 649,
&end
#
# 106 TYR HA 106 TYR HB+ 5.50 (# 2833:20 Unique 2.30, 2.56 A)
&rst
ixpk= 2833, nxpk= 20, iat=1621, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1623,1624,
&end
#
# 57 SER HA 106 TYR HB+ 5.50 (# 2834:20 Unique 2.80, 4.81 A)
&rst
ixpk= 2834, nxpk= 20, iat= 845, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1623,1624,
&end
#
# 108 ILE QG2 106 TYR HB+ 7.00 (# 2835:20 Unique 2.29, 5.68 A)
&rst
ixpk= 2835, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1=1657,1658,1659,
igr2=1623,1624,
&end
#
# 13 LEU MDX 121 ARG HD+ 7.00 (# 2839:20 Unique 2.50, 5.62 A)
&rst
ixpk= 2839, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 183, 184, 185, 187, 188, 189,
igr2=1874,1875,
&end
#
# 13 LEU MDX 121 ARG HD- 4.50 (# 2840:20 Unique 2.50, 5.62 A)
&rst
ixpk= 2840, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 183, 184, 185, 187, 188, 189,
igr2=1874,1875,
&end
#
# 84 TYR HH 84 TYR HB- 7.00 (# 2841:20 Unique 6.43, 6.59 A)
&rst
ixpk= 2841, nxpk= 20, iat=1270, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1261,1262,
&end
#
# 84 TYR HH 84 TYR HB+ 7.00 (# 2842:20 Unique 6.43, 6.59 A)
&rst
ixpk= 2842, nxpk= 20, iat=1270, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1261,1262,
&end
#
# 21 TYR HN 20 GLY HA+ 4.50 (# 2845:20 Unique 2.11, 3.10 A)
&rst
ixpk= 2845, nxpk= 20, iat= 316, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 311, 312,
&end
#
# 88 PRO HB+ 88 PRO HD+ 4.50 (# 2846:20 Unique 2.77, 3.71 A)
&rst
ixpk= 2846, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1340,1341,
igr2=1334,1335,
&end
#
# 88 PRO HB+ 88 PRO HD- 4.50 (# 2847:20 Unique 2.77, 3.71 A)
&rst
ixpk= 2847, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1340,1341,
igr2=1334,1335,
&end
#
# 36 LEU HN 37 ALA MB 5.50 (# 2848:20 Unique 5.62, 6.59 A)
&rst
ixpk= 2848, nxpk= 20, iat= 561, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 584, 585, 586,
&end
#
# 36 LEU HA 37 ALA MB 5.50 (# 2849:20 Unique 4.35, 4.91 A)
&rst
ixpk= 2849, nxpk= 20, iat= 563, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 584, 585, 586,
&end
#
# 0 AMB 20-2:2850 0 AMB 20-1:2850 2.80 (# 2850:20 Double Ambig)
&rst
ixpk= 2850, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1=1145,1146,1147,1149,1150,1151, 183, 184, 185, 187,
188, 189,
igr2= 203, 204, 412, 413, 414, 416, 417, 418, 109, 110,
&end
#
# 0 AMB 20-2:2851 0 AMB 20-1:2851 2.80 (# 2851:20 Double Ambig)
&rst
ixpk= 2851, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.68, r4= 6.43,
igr1= 989, 990, 991, 993, 994, 995, 410,
igr2= 109, 110, 412, 413, 414, 416, 417, 418, 203, 204,
&end
#
# 43 PRO HB+ 43 PRO HA 2.80 (# 2852:20 Unique 2.29, 2.55 A)
&rst
ixpk= 2852, nxpk= 20, iat= -1, 675, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 672, 673,
&end
#
# 44 GLY HN 43 PRO HA 7.00 (# 2853:20 Unique 2.09, 2.51 A)
&rst
ixpk= 2853, nxpk= 20, iat= 679, 675, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 0 AMB 20-2:2854 39 PRO HA 3.50 (# 2854:20 Single Ambig)
&rst
ixpk= 2854, nxpk= 20, iat= -1, 614, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 608, 609, 633, 634,
&end
#
# 122 TYR HN 123 GLY HA+ 5.50 (# 2855:20 Unique 4.65, 5.28 A)
&rst
ixpk= 2855, nxpk= 20, iat=1888, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1911,1912,
&end
#
# 116 PHE HE 120 LEU MDX 5.50 (# 2856:20 Unique 2.31, 4.51 A)
&rst
ixpk= 2856, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1788,1792,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 120 LEU HB- 120 LEU MDX 3.50 (# 2857:20 Unique 2.40, 3.32 A)
&rst
ixpk= 2857, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1849,1850,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 72 CYS HB+ 69 VAL MGY 5.50 (# 2858:20 Unique 2.30, 5.66 A)
&rst
ixpk= 2858, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1076,1077,
igr2=1048,1049,1050,1052,1053,1054,
&end
#
# 120 LEU HN 120 LEU MDX 4.50 (# 2859:20 Unique 3.32, 4.30 A)
&rst
ixpk= 2859, nxpk= 20, iat=1845, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 7 GLU HB- 8 PRO HD- 3.50 (# 2860:20 Unique 2.25, 4.23 A)
&rst
ixpk= 2860, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 94, 95,
igr2= 106, 107,
&end
#
# 0 AMB 20-2:2863 0 AMB 20-1:2863 7.00 (# 2863:20 Double Ambig)
&rst
ixpk= 2863, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.11, r4=11.86,
igr1= 648, 649, 833, 834,
igr2= 666, 667, 666, 667,
&end
#
# 0 AMB 20-2:2865 0 AMB 20-1:2865 5.50 (# 2865:20 Double Ambig)
&rst
ixpk= 2865, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1141, 445,
igr2= 203, 204, 453, 454,
&end
#
# 32 TYR HB- 28 ILE HG1+ 4.50 (# 2866:20 Unique 2.39, 3.00 A)
&rst
ixpk= 2866, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 492, 493,
igr2= 453, 454,
&end
#
# 33 VAL HA 28 ILE HG1+ 5.50 (# 2867:20 Unique 2.86, 3.90 A)
&rst
ixpk= 2867, nxpk= 20, iat= 511, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 453, 454,
&end
#
# 33 VAL HA 28 ILE HG1- 5.50 (# 2868:20 Unique 2.86, 3.90 A)
&rst
ixpk= 2868, nxpk= 20, iat= 511, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 453, 454,
&end
#
# 28 ILE HN 28 ILE HG1- 5.50 (# 2869:20 Unique 2.15, 2.71 A)
&rst
ixpk= 2869, nxpk= 20, iat= 443, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 453, 454,
&end
#
# 65 LEU MDX 8 PRO HG- 4.50 (# 2871:20 Unique 2.28, 4.67 A)
&rst
ixpk= 2871, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 989, 990, 991, 993, 994, 995,
igr2= 109, 110,
&end
#
# 92 ILE HB 92 ILE HG1- 4.50 (# 2872:20 Unique 2.47, 2.77 A)
&rst
ixpk= 2872, nxpk= 20, iat=1398, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1404,1405,
&end
#
# 74 TYR HE 8 PRO HG- 5.50 (# 2873:20 Unique 3.07, 6.49 A)
&rst
ixpk= 2873, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1104,1109,
igr2= 109, 110,
&end
#
# 0 AMB 20-2:2875 38 PRO HD- 3.50 (# 2875:20 Single Ambig)
&rst
ixpk= 2875, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 594, 595, 597, 598,
igr2= 591, 592,
&end
#
# 0 AMB 20-2:2876 0 AMB 20-1:2876 3.50 (# 2876:20 Double Ambig)
&rst
ixpk= 2876, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 594, 595, 597, 598,
igr2= 591, 592, 591, 592,
&end
#
# 121 ARG HG- 121 ARG HB- 7.00 (# 2878:20 Unique 2.42, 2.77 A)
&rst
ixpk= 2878, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1871,1872,
igr2=1868,1869,
&end
#
# 87 ARG HD+ 87 ARG HG- 4.50 (# 2879:20 Unique 2.28, 2.70 A)
&rst
ixpk= 2879, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1319,1320,
igr2=1316,1317,
&end
#
# 97 LYS HN 95 SER HA 5.50 (# 2880:20 Unique 4.59, 4.64 A)
&rst
ixpk= 2880, nxpk= 20, iat=1464,1445, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:2881 89 VAL MGY 4.50 (# 2881:20 Single Ambig)
&rst
ixpk= 2881, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1413, 162,
igr2=1353,1354,1355,1357,1358,1359,
&end
#
# 50 VAL HN 50 VAL HA 5.50 (# 2883:20 Unique 2.24, 2.86 A)
&rst
ixpk= 2883, nxpk= 20, iat= 736, 738, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:2884 10 PRO HD- 2.80 (# 2884:20 Single Ambig)
&rst
ixpk= 2884, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 123, 124, 148, 149,
igr2= 142, 143,
&end
#
# 0 AMB 20-2:2885 10 PRO HD- 2.80 (# 2885:20 Single Ambig)
&rst
ixpk= 2885, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 123, 124, 148, 149,
igr2= 142, 143,
&end
#
# 0 AMB 20-2:2886 54 LEU HG 2.80 (# 2886:20 Single Ambig)
&rst
ixpk= 2886, nxpk= 20, iat= -1, 806, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 808, 809, 810, 812, 813, 814, 808, 809, 810, 812,
813, 814,
&end
#
# 54 LEU HB+ 54 LEU HA 2.80 (# 2887:20 Unique 2.41, 2.77 A)
&rst
ixpk= 2887, nxpk= 20, iat= -1, 801, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 803, 804,
&end
#
# 10 PRO HA 9 LYS HD+ 5.50 (# 2890:20 Unique 4.46, 6.08 A)
&rst
ixpk= 2890, nxpk= 20, iat= 151, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 129, 130,
&end
#
# 87 ARG HN 87 ARG HG- 4.50 (# 2891:20 Unique 2.47, 3.59 A)
&rst
ixpk= 2891, nxpk= 20, iat=1309, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1316,1317,
&end
#
# 92 ILE QG2 92 ILE HG1- 3.50 (# 2893:20 Unique 2.50, 3.55 A)
&rst
ixpk= 2893, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1400,1401,1402,
igr2=1404,1405,
&end
#
# 80 LEU MDX 83 GLU HB+ 3.50 (# 2895:20 Unique 3.13, 5.29 A)
&rst
ixpk= 2895, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1203,1204,1205,1207,1208,1209,
igr2=1246,1247,
&end
#
# 76 VAL MGX 8 PRO HD+ 7.00 (# 2898:20 Unique 2.91, 6.06 A)
&rst
ixpk= 2898, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1=1145,1146,1147,1149,1150,1151,
igr2= 106, 107,
&end
#
# 0 AMB 20-2:2900 10 PRO HD- 4.50 (# 2900:20 Single Ambig)
&rst
ixpk= 2900, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 126, 127, 126, 127,
igr2= 142, 143,
&end
#
# 0 AMB 20-2:2901 0 AMB 20-1:2901 3.50 (# 2901:20 Double Ambig)
&rst
ixpk= 2901, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 123, 124, 148, 149,
igr2= 142, 143, 142, 143,
&end
#
# 0 AMB 20-2:2904 43 PRO HD- 7.00 (# 2904:20 Single Ambig)
&rst
ixpk= 2904, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 675, 820,
igr2= 666, 667,
&end
#
# 0 AMB 20-2:2905 0 AMB 20-1:2905 3.50 (# 2905:20 Double Ambig)
&rst
ixpk= 2905, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 675, 820,
igr2= 666, 667, 666, 667,
&end
#
# 29 GLY HN 10 PRO HD- 5.50 (# 2906:20 Unique 4.13, 5.40 A)
&rst
ixpk= 2906, nxpk= 20, iat= 462, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 142, 143,
&end
#
# 93 ILE QD1 90 GLU HA 5.50 (# 2907:20 Unique 3.23, 4.60 A)
&rst
ixpk= 2907, nxpk= 20, iat= -1,1365, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1426,1427,1428,
&end
#
# 0 AMB 20-2:2909 0 AMB 20-1:2909 4.50 (# 2909:20 Double Ambig)
&rst
ixpk= 2909, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1926,1927,1926,1927,
igr2=1929,1930,1929,1930,
&end
#
# 0 AMB 20-2:2910 124 LYS HE- 4.50 (# 2910:20 Single Ambig)
&rst
ixpk= 2910, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1926,1927,1926,1927,
igr2=1929,1930,
&end
#
# 36 LEU HA 36 LEU MDY 4.50 (# 2911:20 Unique 2.15, 3.81 A)
&rst
ixpk= 2911, nxpk= 20, iat= 563, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 570, 571, 572, 574, 575, 576,
&end
#
# 0 AMB 20-2:2912 65 LEU HA 4.50 (# 2912:20 Single Ambig)
&rst
ixpk= 2912, nxpk= 20, iat= -1, 982, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
1037,1038,1048,1049,1050,1052,1053,1054,
&end
#
# 87 ARG HA 88 PRO HG+ 4.50 (# 2913:20 Unique 4.21, 4.61 A)
&rst
ixpk= 2913, nxpk= 20, iat=1311, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1337,1338,
&end
#
# 87 ARG HA 88 PRO HG- 4.50 (# 2914:20 Unique 4.21, 4.61 A)
&rst
ixpk= 2914, nxpk= 20, iat=1311, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1337,1338,
&end
#
# 0 AMB 20-2:2915 0 AMB 20-1:2915 5.50 (# 2915:20 Double Ambig)
&rst
ixpk= 2915, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 77, 78,1143,
igr2= 80, 81, 80, 81,
&end
#
# 0 AMB 20-2:2916 0 AMB 20-1:2916 2.80 (# 2916:20 Double Ambig)
&rst
ixpk= 2916, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 675, 820,
igr2= 672, 673, 672, 673,
&end
#
# 0 AMB 20-2:2917 121 ARG HA 3.50 (# 2917:20 Single Ambig)
&rst
ixpk= 2917, nxpk= 20, iat= -1,1866, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1871,1872,1920,1921,
&end
#
# 34 ILE HG1+ 100 VAL MGX 4.50 (# 2918:20 Unique 2.35, 4.88 A)
&rst
ixpk= 2918, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 535, 536,
igr2=1524,1525,1526,1528,1529,1530,
&end
#
# 34 ILE QG2 100 VAL MGX 3.50 (# 2920:20 Unique 2.38, 4.90 A)
&rst
ixpk= 2920, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 531, 532, 533,
igr2=1524,1525,1526,1528,1529,1530,
&end
#
# 0 AMB 20-2:2922 124 LYS HG- 5.50 (# 2922:20 Single Ambig)
&rst
ixpk= 2922, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1316,1317,1920,1921,
igr2=1923,1924,
&end
#
# 0 AMB 20-2:2923 0 AMB 20-1:2923 5.50 (# 2923:20 Double Ambig)
&rst
ixpk= 2923, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1316,1317,1920,1921,
igr2=1923,1924,1923,1924,
&end
#
# 0 AMB 20-2:2924 0 AMB 20-1:2924 2.80 (# 2924:20 Double Ambig)
&rst
ixpk= 2924, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1704,1705,1750,1751,
igr2=1707,1708,1707,1708,
&end
#
# 0 AMB 20-2:2925 111 ARG HD- 2.80 (# 2925:20 Single Ambig)
&rst
ixpk= 2925, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1704,1705,1750,1751,
igr2=1707,1708,
&end
#
# 50 VAL HB 50 VAL MGX 2.80 (# 2926:20 Preassigned 2.38, 2.65 A)
&rst
ixpk= 2926, nxpk= 20, iat= 740, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 742, 743, 744, 746, 747, 748,
&end
#
# 50 VAL HA 50 VAL MGY 3.50 (# 2927:20 Unique 2.34, 3.49 A)
&rst
ixpk= 2927, nxpk= 20, iat= 738, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 742, 743, 744, 746, 747, 748,
&end
#
# 39 PRO HB- 39 PRO HG- 3.50 (# 2928:20 Unique 2.32, 2.62 A)
&rst
ixpk= 2928, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 611, 612,
igr2= 608, 609,
&end
#
# 0 AMB 20-2:2929 0 AMB 20-1:2929 4.50 (# 2929:20 Double Ambig)
&rst
ixpk= 2929, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 622, 623, 847, 848,
igr2= 608, 609, 608, 609,
&end
#
# 0 AMB 20-2:2930 38 PRO HA 4.50 (# 2930:20 Single Ambig)
&rst
ixpk= 2930, nxpk= 20, iat= -1, 600, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 597, 598, 594, 595,
&end
#
# 0 AMB 20-2:2931 38 PRO HA 4.50 (# 2931:20 Single Ambig)
&rst
ixpk= 2931, nxpk= 20, iat= -1, 600, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 597, 598, 594, 595,
&end
#
# 111 ARG HG- 111 ARG HA 2.80 (# 2934:20 Unique 2.28, 2.86 A)
&rst
ixpk= 2934, nxpk= 20, iat= -1,1699, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1704,1705,
&end
#
# 0 AMB 20-2:2935 102 GLN HA 5.50 (# 2935:20 Single Ambig)
&rst
ixpk= 2935, nxpk= 20, iat= -1,1543, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1562,1563, 868, 869,
&end
#
# 103 LYS HG+ 102 GLN HA 4.50 (# 2936:20 Unique 3.30, 4.42 A)
&rst
ixpk= 2936, nxpk= 20, iat= -1,1543, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1565,1566,
&end
#
# 7 GLU HB+ 8 PRO HD- 3.50 (# 2938:20 Unique 2.25, 4.23 A)
&rst
ixpk= 2938, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 94, 95,
igr2= 106, 107,
&end
#
# 0 AMB 20-2:2939 45 ALA MB 4.50 (# 2939:20 Single Ambig)
&rst
ixpk= 2939, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 698, 699, 698, 699,
igr2= 690, 691, 692,
&end
#
# 45 ALA HN 45 ALA MB 2.80 (# 2940:20 Unique 2.43, 3.10 A)
&rst
ixpk= 2940, nxpk= 20, iat= 686, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 690, 691, 692,
&end
#
# 106 TYR HB+ 106 TYR HA 3.50 (# 2941:20 Unique 2.30, 2.56 A)
&rst
ixpk= 2941, nxpk= 20, iat= -1,1621, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1623,1624,
&end
#
# 107 SER HN 106 TYR HA 5.50 (# 2942:20 Unique 2.16, 2.88 A)
&rst
ixpk= 2942, nxpk= 20, iat=1640,1621, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 106 TYR HB+ 105 LYS HA 5.50 (# 2943:20 Unique 3.92, 5.01 A)
&rst
ixpk= 2943, nxpk= 20, iat= -1,1599, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1623,1624,
&end
#
# 0 AMB 20-2:2945 0 AMB 20-1:2945 5.50 (# 2945:20 Double Ambig)
&rst
ixpk= 2945, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1761,1640,
igr2=1699,1599,
&end
#
# 43 PRO HD- 42 TYR HA 5.50 (# 2948:20 Unique 2.01, 2.63 A)
&rst
ixpk= 2948, nxpk= 20, iat= -1, 646, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 666, 667,
&end
#
# 115 HIS HA 115 HIS HB+ 2.80 (# 2949:20 Unique 2.38, 2.76 A)
&rst
ixpk= 2949, nxpk= 20, iat=1763, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1765,1766,
&end
#
# 115 HIS HA 115 HIS HB- 2.80 (# 2950:20 Unique 2.38, 2.76 A)
&rst
ixpk= 2950, nxpk= 20, iat=1763, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1765,1766,
&end
#
# 0 AMB 20-2:2951 0 AMB 20-1:2951 2.80 (# 2951:20 Double Ambig)
&rst
ixpk= 2951, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 123, 124, 594, 595, 129, 130,
igr2= 142, 143, 591, 592,
&end
#
# 113 CYS HA 113 CYS HB- 3.50 (# 2952:20 Unique 2.35, 2.69 A)
&rst
ixpk= 2952, nxpk= 20, iat=1737, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1739,1740,
&end
#
# 0 AMB 20-2:2953 0 AMB 20-1:2953 4.50 (# 2953:20 Double Ambig)
&rst
ixpk= 2953, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1672, 738,
igr2=1676,1677,1678,1680,1681,1682, 789, 790, 791, 793,
794, 795,
&end
#
# 4 PRO HA 4 PRO HB+ 2.80 (# 2957:20 Unique 2.30, 2.55 A)
&rst
ixpk= 2957, nxpk= 20, iat= 52, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 49, 50,
&end
#
# 19 LEU HB- 19 LEU HG 2.80 (# 2958:20 Unique 2.30, 2.73 A)
&rst
ixpk= 2958, nxpk= 20, iat= -1, 297, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 294, 295,
&end
#
# 109 VAL HB 109 VAL MGX 2.80 (# 2961:20 Unique 2.30, 2.65 A)
&rst
ixpk= 2961, nxpk= 20, iat=1674, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1676,1677,1678,1680,1681,1682,
&end
#
# 109 VAL HB 109 VAL HA 7.00 (# 2963:20 Unique 2.35, 2.65 A)
&rst
ixpk= 2963, nxpk= 20, iat=1674,1672, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 34 ILE HG1+ 34 ILE QG2 2.80 (# 2964:20 Unique 2.60, 3.59 A)
&rst
ixpk= 2964, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 535, 536,
igr2= 531, 532, 533,
&end
#
# 0 AMB 20-2:2965 34 ILE QG2 2.80 (# 2965:20 Single Ambig)
&rst
ixpk= 2965, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.85, r4= 5.60,
igr1= 538, 539, 540, 885, 886, 887, 889, 890, 891,
igr2= 531, 532, 533,
&end
#
# 100 VAL MGX 34 ILE QG2 3.50 (# 2966:20 Unique 2.38, 4.90 A)
&rst
ixpk= 2966, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1524,1525,1526,1528,1529,1530,
igr2= 531, 532, 533,
&end
#
# 15 GLU HG- 15 GLU HB- 5.50 (# 2967:20 Unique 2.35, 2.76 A)
&rst
ixpk= 2967, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 219, 220,
igr2= 216, 217,
&end
#
# 43 PRO HB- 43 PRO HG- 2.80 (# 2968:20 Unique 2.36, 2.63 A)
&rst
ixpk= 2968, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 672, 673,
igr2= 669, 670,
&end
#
# 69 VAL HN 69 VAL HB 3.50 (# 2973:20 Unique 2.36, 3.14 A)
&rst
ixpk= 2973, nxpk= 20, iat=1042,1046, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 63 GLU HB+ 68 VAL MGY 2.80 (# 2975:20 Unique 2.18, 4.46 A)
&rst
ixpk= 2975, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 945, 946,
igr2=1032,1033,1034,1036,1037,1038,
&end
#
# 120 LEU HG 117 VAL HA 4.50 (# 2976:20 Preassigned 2.31, 2.42 A)
&rst
ixpk= 2976, nxpk= 20, iat=1852,1800, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 120 LEU HB- 120 LEU HG 5.50 (# 2977:20 Unique 2.45, 2.76 A)
&rst
ixpk= 2977, nxpk= 20, iat= -1,1852, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1849,1850,
&end
#
# 120 LEU HB+ 120 LEU HG 7.00 (# 2978:20 Unique 2.45, 2.76 A)
&rst
ixpk= 2978, nxpk= 20, iat= -1,1852, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1849,1850,
&end
#
# 59 GLU HG+ 61 LYS HG+ 4.50 (# 2979:20 Unique 2.23, 4.00 A)
&rst
ixpk= 2979, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 871, 872,
igr2= 902, 903,
&end
#
# 61 LYS HB- 61 LYS HG+ 2.80 (# 2980:20 Unique 2.38, 2.77 A)
&rst
ixpk= 2980, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 899, 900,
igr2= 902, 903,
&end
#
# 57 SER HB+ 103 LYS HB- 7.00 (# 2983:20 Unique 2.50, 4.28 A)
&rst
ixpk= 2983, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 847, 848,
igr2=1562,1563,
&end
#
# 24 TRP HZ3 23 HIS HB- 7.00 (# 2984:20 Unique 5.33, 6.21 A)
&rst
ixpk= 2984, nxpk= 20, iat= 386, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 356, 357,
&end
#
# 24 TRP HZ3 23 HIS HB+ 7.00 (# 2985:20 Unique 5.33, 6.21 A)
&rst
ixpk= 2985, nxpk= 20, iat= 386, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 356, 357,
&end
#
# 16 ILE QG2 23 HIS HB- 7.00 (# 2986:20 Unique 3.28, 4.75 A)
&rst
ixpk= 2986, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 233, 234, 235,
igr2= 356, 357,
&end
#
# 16 ILE QG2 23 HIS HB+ 5.50 (# 2987:20 Unique 3.28, 4.75 A)
&rst
ixpk= 2987, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 233, 234, 235,
igr2= 356, 357,
&end
#
# 88 PRO HD+ 87 ARG HB+ 3.50 (# 2988:20 Unique 2.19, 3.69 A)
&rst
ixpk= 2988, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1334,1335,
igr2=1313,1314,
&end
#
# 83 GLU HN 80 LEU HA 5.50 (# 2989:20 Unique 2.68, 2.99 A)
&rst
ixpk= 2989, nxpk= 20, iat=1242,1196, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:2990 0 AMB 20-1:2990 5.50 (# 2990:20 Double Ambig)
&rst
ixpk= 2990, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 119, 155,
igr2= 129, 130, 129, 130,
&end
#
# 27 TYR HD 9 LYS HD+ 5.50 (# 2991:20 Unique 4.97, 7.58 A)
&rst
ixpk= 2991, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 430, 439,
igr2= 129, 130,
&end
#
# 0 AMB 20-2:2992 0 AMB 20-1:2992 5.50 (# 2992:20 Double Ambig)
&rst
ixpk= 2992, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 843,1828, 799,
igr2= 820,1763,
&end
#
# 25 ALA MB 68 VAL MGX 4.50 (# 2994:20 Preassigned 2.94, 5.69 A)
&rst
ixpk= 2994, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 397, 398, 399,
igr2=1032,1033,1034,1036,1037,1038,
&end
#
# 61 LYS HN 61 LYS HG- 7.00 (# 2995:20 Unique 3.00, 3.73 A)
&rst
ixpk= 2995, nxpk= 20, iat= 895, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 902, 903,
&end
#
# 39 PRO HD+ 39 PRO HG- 4.50 (# 2996:20 Unique 2.30, 2.61 A)
&rst
ixpk= 2996, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 605, 606,
igr2= 608, 609,
&end
#
# 39 PRO HG+ 39 PRO HD+ 7.00 (# 2999:20 Unique 2.30, 2.61 A)
&rst
ixpk= 2999, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 608, 609,
igr2= 605, 606,
&end
#
# 39 PRO HG+ 39 PRO HD- 4.50 (# 3000:20 Unique 2.30, 2.61 A)
&rst
ixpk= 3000, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 608, 609,
igr2= 605, 606,
&end
#
# 40 SER HB- 40 SER HA 2.80 (# 3001:20 Unique 2.35, 2.66 A)
&rst
ixpk= 3001, nxpk= 20, iat= -1, 620, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 622, 623,
&end
#
# 84 TYR HN 84 TYR HA 3.50 (# 3003:20 Unique 2.98, 3.00 A)
&rst
ixpk= 3003, nxpk= 20, iat=1257,1259, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 85 GLN HN 84 TYR HA 3.50 (# 3004:20 Unique 2.26, 2.42 A)
&rst
ixpk= 3004, nxpk= 20, iat=1278,1259, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:3005 36 LEU MDY 5.50 (# 3005:20 Single Ambig)
&rst
ixpk= 3005, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1730,1731,1788,1792,
igr2= 570, 571, 572, 574, 575, 576,
&end
#
# 10 PRO HD- 10 PRO HB+ 5.50 (# 3006:20 Unique 2.76, 3.66 A)
&rst
ixpk= 3006, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 142, 143,
igr2= 148, 149,
&end
#
# 64 ARG HB+ 67 ASP HB+ 7.00 (# 3009:20 Unique 2.24, 3.57 A)
&rst
ixpk= 3009, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 960, 961,
igr2=1018,1019,
&end
#
# 64 ARG HB+ 67 ASP HB- 5.50 (# 3010:20 Unique 2.24, 3.57 A)
&rst
ixpk= 3010, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 960, 961,
igr2=1018,1019,
&end
#
# 17 PHE HB+ 17 PHE HA 4.50 (# 3011:20 Unique 2.37, 2.73 A)
&rst
ixpk= 3011, nxpk= 20, iat= -1, 248, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 250, 251,
&end
#
# 89 VAL MGY 10 PRO HA 5.50 (# 3012:20 Preassigned 4.23, 5.82 A)
&rst
ixpk= 3012, nxpk= 20, iat= -1, 151, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1353,1354,1355,1357,1358,1359,
&end
#
# 29 GLY HN 10 PRO HA 7.00 (# 3013:20 Unique 3.05, 3.50 A)
&rst
ixpk= 3013, nxpk= 20, iat= 462, 151, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 0 AMB 20-2:3014 100 VAL MGY 4.50 (# 3014:20 Single Ambig)
&rst
ixpk= 3014, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 883,1505,1506,
igr2=1524,1525,1526,1528,1529,1530,
&end
#
# 105 LYS HA 105 LYS HD- 5.50 (# 3015:20 Unique 2.26, 4.42 A)
&rst
ixpk= 3015, nxpk= 20, iat=1599, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1607,1608,
&end
#
# 64 ARG HN 68 VAL MGY 7.00 (# 3016:20 Unique 3.48, 6.17 A)
&rst
ixpk= 3016, nxpk= 20, iat= 956, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr2=1032,1033,1034,1036,1037,1038,
&end
#
# 89 VAL MGY 92 ILE HB 4.50 (# 3017:20 Unique 2.95, 4.97 A)
&rst
ixpk= 3017, nxpk= 20, iat= -1,1398, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1353,1354,1355,1357,1358,1359,
&end
#
# 63 GLU HB+ 68 VAL MGX 3.50 (# 3018:20 Unique 2.18, 4.46 A)
&rst
ixpk= 3018, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 945, 946,
igr2=1032,1033,1034,1036,1037,1038,
&end
#
# 63 GLU HB+ 33 VAL MGY 4.50 (# 3019:20 Unique 2.66, 6.16 A)
&rst
ixpk= 3019, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 945, 946,
igr2= 515, 516, 517, 519, 520, 521,
&end
#
# 0 AMB 20-2:3020 33 VAL HB 4.50 (# 3020:20 Single Ambig)
&rst
ixpk= 3020, nxpk= 20, iat= -1, 513, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
1037,1038, 240, 241, 242,
&end
#
# 26 LEU HG 96 ALA HA 4.50 (# 3021:20 Unique 4.53, 4.57 A)
&rst
ixpk= 3021, nxpk= 20, iat= 410,1456, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 89 VAL HA 92 ILE HG1+ 5.50 (# 3022:20 Unique 2.42, 3.38 A)
&rst
ixpk= 3022, nxpk= 20, iat=1349, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1404,1405,
&end
#
# 80 LEU HA 80 LEU MDX 4.50 (# 3023:20 Unique 2.31, 3.86 A)
&rst
ixpk= 3023, nxpk= 20, iat=1196, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 80 LEU HB- 80 LEU MDX 2.80 (# 3024:20 Unique 2.33, 3.33 A)
&rst
ixpk= 3024, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1198,1199,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 0 AMB 20-2:3025 80 LEU MDX 2.80 (# 3025:20 Single Ambig)
&rst
ixpk= 3025, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.22, r4= 5.97,
igr1=1820,1821,1822,1198,1199,1868,1869,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 36 LEU HG 36 LEU MDY 2.80 (# 3026:20 Unique 2.39, 2.66 A)
&rst
ixpk= 3026, nxpk= 20, iat= 568, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 570, 571, 572, 574, 575, 576,
&end
#
# 121 ARG HB+ 92 ILE QD1 4.50 (# 3027:20 Unique 2.57, 4.89 A)
&rst
ixpk= 3027, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1868,1869,
igr2=1407,1408,1409,
&end
#
# 124 LYS HB+ 92 ILE QD1 4.50 (# 3028:20 Unique 5.16, 6.28 A)
&rst
ixpk= 3028, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1920,1921,
igr2=1407,1408,1409,
&end
#
# 95 SER HN 94 SER HA 5.50 (# 3029:20 Unique 3.53, 3.55 A)
&rst
ixpk= 3029, nxpk= 20, iat=1443,1434, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 36 LEU HN 36 LEU HB- 7.00 (# 3030:20 Unique 2.29, 2.73 A)
&rst
ixpk= 3030, nxpk= 20, iat= 561, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 565, 566,
&end
#
# 93 ILE HA 92 ILE HB 5.50 (# 3031:20 Unique 4.22, 4.35 A)
&rst
ixpk= 3031, nxpk= 20, iat=1415,1398, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 53 VAL HN 53 VAL HA 4.50 (# 3032:20 Unique 2.79, 2.93 A)
&rst
ixpk= 3032, nxpk= 20, iat= 783, 785, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 54 LEU HN 53 VAL HA 4.50 (# 3033:20 Unique 2.13, 2.57 A)
&rst
ixpk= 3033, nxpk= 20, iat= 799, 785, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:3036 34 ILE HB 3.50 (# 3036:20 Single Ambig)
&rst
ixpk= 3036, nxpk= 20, iat= -1, 529, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 538, 539, 540, 412, 413, 414, 416, 417, 418,
&end
#
# 59 GLU HB+ 37 ALA MB 5.50 (# 3037:20 Preassigned 2.50, 4.72 A)
&rst
ixpk= 3037, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 868, 869,
igr2= 584, 585, 586,
&end
#
# 85 GLN HG+ 84 TYR HA 5.50 (# 3038:20 Unique 3.83, 4.89 A)
&rst
ixpk= 3038, nxpk= 20, iat= -1,1259, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1285,1286,
&end
#
# 84 TYR HA 85 GLN HG+ 4.50 (# 3039:20 Unique 3.83, 4.89 A)
&rst
ixpk= 3039, nxpk= 20, iat=1259, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1285,1286,
&end
#
# 63 GLU HN 33 VAL MGX 5.50 (# 3040:20 Unique 2.91, 5.05 A)
&rst
ixpk= 3040, nxpk= 20, iat= 941, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 515, 516, 517, 519, 520, 521,
&end
#
# 12 ASP HN 11 GLY HA- 7.00 (# 3042:20 Unique 3.21, 3.36 A)
&rst
ixpk= 3042, nxpk= 20, iat= 162, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 157, 158,
&end
#
# 0 AMB 20-2:3043 96 ALA MB 5.50 (# 3043:20 Single Ambig)
&rst
ixpk= 3043, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1447,1448,1466,
igr2=1458,1459,1460,
&end
#
# 0 AMB 20-2:3044 0 AMB 20-1:3044 2.80 (# 3044:20 Double Ambig)
&rst
ixpk= 3044, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1423,1424, 273, 274, 453, 454,
igr2= 449, 450, 451, 233, 234, 235,
&end
#
# 0 AMB 20-2:3045 0 AMB 20-1:3045 2.80 (# 3045:20 Double Ambig)
&rst
ixpk= 3045, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1= 237, 238,1458,1459,1460,
igr2= 233, 234, 235, 449, 450, 451,
&end
#
# 75 ARG HA 14 ILE QG2 5.50 (# 3046:20 Unique 3.91, 5.35 A)
&rst
ixpk= 3046, nxpk= 20, iat=1117, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 199, 200, 201,
&end
#
# 28 ILE QD1 93 ILE HG1- 4.50 (# 3049:20 Unique 5.04, 6.65 A)
&rst
ixpk= 3049, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 456, 457, 458,
igr2=1423,1424,
&end
#
# 111 ARG HD- 111 ARG HB+ 5.50 (# 3050:20 Unique 2.37, 3.20 A)
&rst
ixpk= 3050, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1707,1708,
igr2=1701,1702,
&end
#
# 111 ARG HD+ 111 ARG HB+ 5.50 (# 3051:20 Unique 2.37, 3.20 A)
&rst
ixpk= 3051, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1707,1708,
igr2=1701,1702,
&end
#
# 111 ARG HA 111 ARG HB+ 5.50 (# 3052:20 Unique 2.44, 2.78 A)
&rst
ixpk= 3052, nxpk= 20, iat=1699, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1701,1702,
&end
#
# 121 ARG HG+ 121 ARG HD+ 5.50 (# 3053:20 Unique 2.32, 2.71 A)
&rst
ixpk= 3053, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1871,1872,
igr2=1874,1875,
&end
#
# 121 ARG HB+ 121 ARG HD+ 4.50 (# 3054:20 Unique 2.37, 3.00 A)
&rst
ixpk= 3054, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1868,1869,
igr2=1874,1875,
&end
#
# 0 AMB 20-2:3055 0 AMB 20-1:3055 2.80 (# 3055:20 Double Ambig)
&rst
ixpk= 3055, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1407,1408,1409,1419,1420,1421,
igr2=1404,1405,1471,1472,1316,1317,
&end
#
# 54 LEU HA 54 LEU HG 3.50 (# 3056:20 Unique 2.45, 3.14 A)
&rst
ixpk= 3056, nxpk= 20, iat= 801, 806, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 54 LEU HB+ 54 LEU MDX 2.80 (# 3057:20 Unique 2.39, 3.34 A)
&rst
ixpk= 3057, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 803, 804,
igr2= 808, 809, 810, 812, 813, 814,
&end
#
# 80 LEU HN 79 SER HA 4.50 (# 3058:20 Unique 3.53, 3.56 A)
&rst
ixpk= 3058, nxpk= 20, iat=1194,1185, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 69 VAL MGX 72 CYS HB+ 7.00 (# 3060:20 Unique 2.30, 5.66 A)
&rst
ixpk= 3060, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1=1048,1049,1050,1052,1053,1054,
igr2=1076,1077,
&end
#
# 116 PHE HE 60 VAL MGY 5.50 (# 3061:20 Unique 2.68, 4.27 A)
&rst
ixpk= 3061, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1788,1792,
igr2= 885, 886, 887, 889, 890, 891,
&end
#
# 95 SER HN 96 ALA HA 7.00 (# 3062:20 Unique 5.34, 5.40 A)
&rst
ixpk= 3062, nxpk= 20, iat=1443,1456, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 80 LEU MDX 80 LEU HA 3.50 (# 3063:20 Unique 2.31, 3.86 A)
&rst
ixpk= 3063, nxpk= 20, iat= -1,1196, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1203,1204,1205,1207,1208,1209,
&end
#
# 64 ARG HG+ 63 GLU HA 4.50 (# 3066:20 Unique 3.84, 4.64 A)
&rst
ixpk= 3066, nxpk= 20, iat= -1, 943, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 963, 964,
&end
#
# 76 VAL HA 14 ILE HG1- 5.50 (# 3067:20 Unique 2.65, 3.93 A)
&rst
ixpk= 3067, nxpk= 20, iat=1141, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 203, 204,
&end
#
# 0 AMB 20-2:3070 0 AMB 20-1:3070 2.80 (# 3070:20 Double Ambig)
&rst
ixpk= 3070, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1701,1702,1398,
igr2=1704,1705,1404,1405,
&end
#
# 74 TYR HB+ 16 ILE QD1 7.00 (# 3071:20 Unique 4.02, 4.96 A)
&rst
ixpk= 3071, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1=1098,1099,
igr2= 240, 241, 242,
&end
#
# 74 TYR HB- 16 ILE QD1 5.50 (# 3072:20 Unique 4.02, 4.96 A)
&rst
ixpk= 3072, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1098,1099,
igr2= 240, 241, 242,
&end
#
# 0 AMB 20-2:3073 18 ARG HG- 4.50 (# 3073:20 Single Ambig)
&rst
ixpk= 3073, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 276, 277,1076,1077,
igr2= 273, 274,
&end
#
# 0 AMB 20-2:3074 59 GLU HA 3.50 (# 3074:20 Single Ambig)
&rst
ixpk= 3074, nxpk= 20, iat= -1, 866, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 868, 869,1562,1563,
&end
#
# 0 AMB 20-2:3075 72 CYS HA 5.50 (# 3075:20 Single Ambig)
&rst
ixpk= 3075, nxpk= 20, iat= -1,1074, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 250, 251, 276, 277,
&end
#
# 86 PRO HD- 86 PRO HB- 3.50 (# 3076:20 Unique 2.80, 3.67 A)
&rst
ixpk= 3076, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1296,1297,
igr2=1302,1303,
&end
#
# 86 PRO HD- 86 PRO HB+ 3.50 (# 3077:20 Unique 2.80, 3.67 A)
&rst
ixpk= 3077, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1296,1297,
igr2=1302,1303,
&end
#
# 0 AMB 20-2:3078 0 AMB 20-1:3078 4.50 (# 3078:20 Double Ambig)
&rst
ixpk= 3078, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 142, 143,1296,1297,
igr2= 123, 124,1302,1303,
&end
#
# 66 GLU HA 69 VAL MGY 2.80 (# 3079:20 Unique 2.17, 4.28 A)
&rst
ixpk= 3079, nxpk= 20, iat=1001, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1048,1049,1050,1052,1053,1054,
&end
#
# 0 AMB 20-2:3080 120 LEU MDX 3.50 (# 3080:20 Single Ambig)
&rst
ixpk= 3080, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1800,1456,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 38 PRO HA 38 PRO HG+ 7.00 (# 3081:20 Unique 2.79, 3.73 A)
&rst
ixpk= 3081, nxpk= 20, iat= 600, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 594, 595,
&end
#
# 38 PRO HD+ 38 PRO HG+ 7.00 (# 3082:20 Unique 2.32, 2.61 A)
&rst
ixpk= 3082, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 591, 592,
igr2= 594, 595,
&end
#
# 0 AMB 20-2:3084 0 AMB 20-1:3084 2.80 (# 3084:20 Double Ambig)
&rst
ixpk= 3084, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.68, r4= 6.43,
igr1= 989, 990, 991, 993, 994, 995, 410,
igr2= 109, 110, 412, 413, 414, 416, 417, 418, 203, 204,
&end
#
# 61 LYS HD- 61 LYS HE+ 2.80 (# 3087:20 Preassigned 2.37, 2.65 A)
&rst
ixpk= 3087, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 905, 906,
igr2= 908, 909,
&end
#
# 61 LYS HG+ 61 LYS HE+ 2.80 (# 3088:20 Unique 2.36, 3.25 A)
&rst
ixpk= 3088, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 902, 903,
igr2= 908, 909,
&end
#
# 85 GLN HG+ 85 GLN HB+ 2.80 (# 3089:20 Unique 2.31, 2.62 A)
&rst
ixpk= 3089, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1285,1286,
igr2=1282,1283,
&end
#
# 86 PRO HD+ 85 GLN HB+ 2.80 (# 3090:20 Unique 2.21, 3.59 A)
&rst
ixpk= 3090, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1296,1297,
igr2=1282,1283,
&end
#
# 19 LEU MDX 19 LEU HG 2.80 (# 3091:20 Preassigned 2.38, 2.66 A)
&rst
ixpk= 3091, nxpk= 20, iat= -1, 297, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 299, 300, 301, 303, 304, 305,
&end
#
# 80 LEU MDY 118 THR MG2 4.50 (# 3092:20 Unique 2.20, 4.47 A)
&rst
ixpk= 3092, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1203,1204,1205,1207,1208,1209,
igr2=1820,1821,1822,
&end
#
# 26 LEU HB+ 93 ILE HA 5.50 (# 3093:20 Unique 5.35, 6.08 A)
&rst
ixpk= 3093, nxpk= 20, iat= -1,1415, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 407, 408,
&end
#
# 42 TYR HA 42 TYR HB+ 4.50 (# 3094:20 Unique 2.31, 2.70 A)
&rst
ixpk= 3094, nxpk= 20, iat= 646, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 648, 649,
&end
#
# 70 GLY HN 68 VAL HA 5.50 (# 3095:20 Unique 3.81, 4.45 A)
&rst
ixpk= 3095, nxpk= 20, iat=1058,1028, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 56 ASN HD2+ 55 SER HB+ 4.50 (# 3096:20 Unique 3.04, 5.78 A)
&rst
ixpk= 3096, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 838, 839,
igr2= 822, 823,
&end
#
# 93 ILE QD1 28 ILE HB 3.50 (# 3097:20 Preassigned 3.05, 4.23 A)
&rst
ixpk= 3097, nxpk= 20, iat= -1, 447, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1426,1427,1428,
&end
#
# 34 ILE HN 33 VAL HB 4.50 (# 3098:20 Unique 2.38, 2.55 A)
&rst
ixpk= 3098, nxpk= 20, iat= 525, 513, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 21 TYR HA 21 TYR HB+ 2.80 (# 3099:20 Unique 2.36, 2.72 A)
&rst
ixpk= 3099, nxpk= 20, iat= 318, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 320, 321,
&end
#
# 0 AMB 20-2:3100 34 ILE QD1 3.50 (# 3100:20 Single Ambig)
&rst
ixpk= 3100, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
igr1= 921, 922, 529, 924, 925,
igr2= 538, 539, 540,
&end
#
# 59 GLU HN 37 ALA MB 4.50 (# 3101:20 Unique 2.42, 3.83 A)
&rst
ixpk= 3101, nxpk= 20, iat= 864, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 584, 585, 586,
&end
#
# 77 ASN HN 77 ASN HB+ 7.00 (# 3102:20 Unique 2.87, 3.14 A)
&rst
ixpk= 3102, nxpk= 20, iat=1155, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1159,1160,
&end
#
# 77 ASN HD2+ 77 ASN HB- 7.00 (# 3103:20 Unique 2.41, 3.14 A)
&rst
ixpk= 3103, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1164,1165,
igr2=1159,1160,
&end
#
# 22 GLU HB- 24 TRP HE1 5.50 (# 0:10 Unique 4.93, 5.88 A)
&rst
ixpk= 0, nxpk= 10, iat= -1, 379, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 341, 342,
&end
#
# 22 GLU HB+ 24 TRP HE1 5.50 (# 1:10 Unique 4.93, 5.88 A)
&rst
ixpk= 1, nxpk= 10, iat= -1, 379, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 341, 342,
&end
#
# 114 GLU HB+ 24 TRP HE1 7.00 (# 5:10 Unique 3.06, 4.90 A)
&rst
ixpk= 5, nxpk= 10, iat= -1, 379, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1750,1751,
&end
#
# 114 GLU HG+ 24 TRP HE1 7.00 (# 7:10 Unique 3.20, 5.03 A)
&rst
ixpk= 7, nxpk= 10, iat= -1, 379, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1753,1754,
&end
#
# 15 GLU HG+ 24 TRP HE1 7.00 (# 8:10 Unique 2.09, 3.36 A)
&rst
ixpk= 8, nxpk= 10, iat= -1, 379, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 219, 220,
&end
#
# 61 LYS HN 37 ALA HN 7.00 (# 10:10 Unique 3.59, 3.98 A)
&rst
ixpk= 10, nxpk= 10, iat= 895, 580, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 0 AMB 10-2:11 37 ALA HN 3.50 (# 11:10 Single Ambig)
&rst
ixpk= 11, nxpk= 10, iat= -1, 580, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 582, 881,
&end
#
# 36 LEU HA 37 ALA HN 2.80 (# 12:10 Unique 2.13, 2.20 A)
&rst
ixpk= 12, nxpk= 10, iat= 563, 580, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 37 ALA MB 37 ALA HN 2.80 (# 13:10 Unique 2.40, 2.93 A)
&rst
ixpk= 13, nxpk= 10, iat= -1, 580, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 584, 585, 586,
&end
#
# 36 LEU HB+ 37 ALA HN 7.00 (# 14:10 Unique 2.74, 4.14 A)
&rst
ixpk= 14, nxpk= 10, iat= -1, 580, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 565, 566,
&end
#
# 36 LEU MDX 37 ALA HN 4.50 (# 15:10 Unique 2.33, 4.67 A)
&rst
ixpk= 15, nxpk= 10, iat= -1, 580, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 570, 571, 572, 574, 575, 576,
&end
#
# 37 ALA HN 61 LYS HN 7.00 (# 16:10 Unique 3.59, 3.98 A)
&rst
ixpk= 16, nxpk= 10, iat= 580, 895, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 35 HIS HD2 61 LYS HN 7.00 (# 17:10 Unique 4.25, 4.83 A)
&rst
ixpk= 17, nxpk= 10, iat= 557, 895, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 60 VAL HA 61 LYS HN 2.80 (# 18:10 Unique 2.13, 2.16 A)
&rst
ixpk= 18, nxpk= 10, iat= 881, 895, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 36 LEU HA 61 LYS HN 5.50 (# 19:10 Unique 3.11, 3.31 A)
&rst
ixpk= 19, nxpk= 10, iat= 563, 895, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 60 VAL HB 61 LYS HN 7.00 (# 20:10 Unique 4.11, 4.16 A)
&rst
ixpk= 20, nxpk= 10, iat= 883, 895, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 61 LYS HB+ 61 LYS HN 3.50 (# 21:10 Unique 2.45, 3.18 A)
&rst
ixpk= 21, nxpk= 10, iat= -1, 895, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 899, 900,
&end
#
# 61 LYS HG- 61 LYS HN 5.50 (# 22:10 Unique 3.00, 3.73 A)
&rst
ixpk= 22, nxpk= 10, iat= -1, 895, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 902, 903,
&end
#
# 0 AMB 10-2:23 61 LYS HN 4.50 (# 23:10 Single Ambig)
&rst
ixpk= 23, nxpk= 10, iat= -1, 895, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1524,1525,1526,1528,1529,1530, 584, 585, 586,
&end
#
# 34 ILE QG2 61 LYS HN 5.50 (# 24:10 Unique 3.87, 4.92 A)
&rst
ixpk= 24, nxpk= 10, iat= -1, 895, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 531, 532, 533,
&end
#
# 60 VAL MGX 61 LYS HN 2.80 (# 25:10 Preassigned 2.88, 4.31 A)
&rst
ixpk= 25, nxpk= 10, iat= -1, 895, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 885, 886, 887, 889, 890, 891,
&end
#
# 61 LYS HA 61 LYS HN 4.50 (# 26:10 Unique 2.99, 3.00 A)
&rst
ixpk= 26, nxpk= 10, iat= 897, 895, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 61 LYS HB- 61 LYS HN 5.50 (# 27:10 Unique 2.45, 3.18 A)
&rst
ixpk= 27, nxpk= 10, iat= -1, 895, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 899, 900,
&end
#
# 60 VAL MGY 61 LYS HN 4.50 (# 28:10 Unique 2.88, 4.31 A)
&rst
ixpk= 28, nxpk= 10, iat= -1, 895, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 885, 886, 887, 889, 890, 891,
&end
#
# 75 ARG HN 15 GLU HN 4.50 (# 29:10 Unique 2.86, 2.98 A)
&rst
ixpk= 29, nxpk= 10, iat=1115, 212, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 77 ASN HN 15 GLU HN 7.00 (# 30:10 Unique 3.75, 4.13 A)
&rst
ixpk= 30, nxpk= 10, iat=1155, 212, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 14 ILE HA 15 GLU HN 2.80 (# 31:10 Unique 2.10, 2.14 A)
&rst
ixpk= 31, nxpk= 10, iat= 195, 212, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:32 15 GLU HN 4.50 (# 32:10 Single Ambig)
&rst
ixpk= 32, nxpk= 10, iat= -1, 212, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 214,1159,1160,
&end
#
# 0 AMB 10-2:33 15 GLU HN 5.50 (# 33:10 Single Ambig)
&rst
ixpk= 33, nxpk= 10, iat= -1, 212, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1122,1123, 197,
&end
#
# 15 GLU HB+ 15 GLU HN 3.50 (# 34:10 Unique 2.31, 2.97 A)
&rst
ixpk= 34, nxpk= 10, iat= -1, 212, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 216, 217,
&end
#
# 14 ILE QG2 15 GLU HN 2.80 (# 35:10 Unique 2.56, 3.38 A)
&rst
ixpk= 35, nxpk= 10, iat= -1, 212, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 199, 200, 201,
&end
#
# 15 GLU HB- 15 GLU HN 4.50 (# 36:10 Unique 2.31, 2.97 A)
&rst
ixpk= 36, nxpk= 10, iat= -1, 212, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 216, 217,
&end
#
# 36 LEU MDY 61 LYS HN 7.00 (# 37:10 Unique 3.94, 6.62 A)
&rst
ixpk= 37, nxpk= 10, iat= -1, 895, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 570, 571, 572, 574, 575, 576,
&end
#
# 12 ASP HN 27 TYR HN 7.00 (# 39:10 Unique 3.77, 3.99 A)
&rst
ixpk= 39, nxpk= 10, iat= 162, 422, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 27 TYR HD 27 TYR HN 4.50 (# 40:10 Unique 4.53, 4.74 A)
&rst
ixpk= 40, nxpk= 10, iat= -1, 422, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 430, 439,
&end
#
# 26 LEU HA 27 TYR HN 2.80 (# 41:10 Unique 2.20, 2.22 A)
&rst
ixpk= 41, nxpk= 10, iat= 405, 422, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 27 TYR HA 27 TYR HN 4.50 (# 42:10 Unique 2.92, 2.94 A)
&rst
ixpk= 42, nxpk= 10, iat= 424, 422, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 27 TYR HB+ 27 TYR HN 2.80 (# 43:10 Unique 2.39, 2.53 A)
&rst
ixpk= 43, nxpk= 10, iat= -1, 422, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 426, 427,
&end
#
# 27 TYR HB- 27 TYR HN 2.80 (# 44:10 Unique 2.39, 2.53 A)
&rst
ixpk= 44, nxpk= 10, iat= -1, 422, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 426, 427,
&end
#
# 26 LEU HB- 27 TYR HN 7.00 (# 45:10 Unique 4.30, 4.46 A)
&rst
ixpk= 45, nxpk= 10, iat= -1, 422, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 407, 408,
&end
#
# 14 ILE HG1- 27 TYR HN 3.50 (# 46:10 Preassigned 3.13, 4.30 A)
&rst
ixpk= 46, nxpk= 10, iat= -1, 422, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 203, 204,
&end
#
# 13 LEU MDX 27 TYR HN 5.50 (# 47:10 Preassigned 4.11, 6.70 A)
&rst
ixpk= 47, nxpk= 10, iat= -1, 422, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 183, 184, 185, 187, 188, 189,
&end
#
# 26 LEU MDX 27 TYR HN 2.80 (# 48:10 Unique 2.63, 4.08 A)
&rst
ixpk= 48, nxpk= 10, iat= -1, 422, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 412, 413, 414, 416, 417, 418,
&end
#
# 14 ILE QD1 27 TYR HN 4.50 (# 49:10 Unique 4.14, 4.99 A)
&rst
ixpk= 49, nxpk= 10, iat= -1, 422, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 206, 207, 208,
&end
#
# 13 LEU HA 27 TYR HN 7.00 (# 50:10 Unique 3.64, 3.81 A)
&rst
ixpk= 50, nxpk= 10, iat= 176, 422, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 0 AMB 10-2:51 27 TYR HN 7.00 (# 51:10 Single Ambig)
&rst
ixpk= 51, nxpk= 10, iat= -1, 422, r1= 0.00, r2= 1.80, r3= 9.68, r4=10.43,
igr1= 397, 398, 399, 109, 110, 535, 536,
&end
#
# 17 PHE HD 17 PHE HN 4.50 (# 54:10 Unique 2.27, 3.64 A)
&rst
ixpk= 54, nxpk= 10, iat= -1, 246, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 254, 262,
&end
#
# 17 PHE HA 17 PHE HN 4.50 (# 55:10 Unique 2.92, 2.96 A)
&rst
ixpk= 55, nxpk= 10, iat= 248, 246, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 16 ILE HA 17 PHE HN 2.80 (# 56:10 Unique 2.07, 2.13 A)
&rst
ixpk= 56, nxpk= 10, iat= 229, 246, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 17 PHE HB- 17 PHE HN 2.80 (# 57:10 Unique 2.38, 3.09 A)
&rst
ixpk= 57, nxpk= 10, iat= -1, 246, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 250, 251,
&end
#
# 0 AMB 10-2:58 17 PHE HN 2.80 (# 58:10 Single Ambig)
&rst
ixpk= 58, nxpk= 10, iat= -1, 246, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 250, 251,1076,1077,
&end
#
# 74 TYR HB- 17 PHE HN 5.50 (# 59:10 Unique 3.74, 4.28 A)
&rst
ixpk= 59, nxpk= 10, iat= -1, 246, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1098,1099,
&end
#
# 16 ILE QG2 17 PHE HN 2.80 (# 60:10 Unique 2.78, 3.61 A)
&rst
ixpk= 60, nxpk= 10, iat= -1, 246, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 233, 234, 235,
&end
#
# 0 AMB 10-2:61 17 PHE HN 5.50 (# 61:10 Single Ambig)
&rst
ixpk= 61, nxpk= 10, iat= -1, 246, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 237, 238, 240, 241, 242,
&end
#
# 73 CYS HN 17 PHE HN 7.00 (# 62:10 Unique 3.13, 3.70 A)
&rst
ixpk= 62, nxpk= 10, iat=1083, 246, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 74 TYR HA 17 PHE HN 4.50 (# 63:10 Unique 2.76, 3.07 A)
&rst
ixpk= 63, nxpk= 10, iat=1096, 246, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:64 17 PHE HN 7.00 (# 64:10 Single Ambig)
&rst
ixpk= 64, nxpk= 10, iat= -1, 246, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1= 231,1122,1123,
&end
#
# 13 LEU HB+ 77 ASN HN 7.00 (# 65:10 Unique 3.25, 3.84 A)
&rst
ixpk= 65, nxpk= 10, iat= -1,1155, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 178, 179,
&end
#
# 0 AMB 10-2:66 77 ASN HN 5.50 (# 66:10 Single Ambig)
&rst
ixpk= 66, nxpk= 10, iat= -1,1155, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1143,1119,1120,
&end
#
# 76 VAL MGX 77 ASN HN 4.50 (# 67:10 Unique 2.70, 4.15 A)
&rst
ixpk= 67, nxpk= 10, iat= -1,1155, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1145,1146,1147,1149,1150,1151,
&end
#
# 77 ASN HA 77 ASN HN 3.50 (# 68:10 Unique 2.93, 2.96 A)
&rst
ixpk= 68, nxpk= 10, iat=1157,1155, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 76 VAL HA 77 ASN HN 2.80 (# 69:10 Unique 2.19, 2.22 A)
&rst
ixpk= 69, nxpk= 10, iat=1141,1155, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 77 ASN HB- 77 ASN HN 4.50 (# 70:10 Unique 2.87, 3.14 A)
&rst
ixpk= 70, nxpk= 10, iat= -1,1155, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1159,1160,
&end
#
# 13 LEU HB- 77 ASN HN 7.00 (# 71:10 Unique 3.25, 3.84 A)
&rst
ixpk= 71, nxpk= 10, iat= -1,1155, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 178, 179,
&end
#
# 77 ASN HB+ 77 ASN HN 5.50 (# 72:10 Unique 2.87, 3.14 A)
&rst
ixpk= 72, nxpk= 10, iat= -1,1155, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1159,1160,
&end
#
# 76 VAL MGY 77 ASN HN 2.80 (# 73:10 Unique 2.70, 4.15 A)
&rst
ixpk= 73, nxpk= 10, iat= -1,1155, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1145,1146,1147,1149,1150,1151,
&end
#
# 0 AMB 10-2:74 77 ASN HN 7.00 (# 74:10 Single Ambig)
&rst
ixpk= 74, nxpk= 10, iat= -1,1155, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 206, 207, 208, 199, 200, 201,
&end
#
# 0 AMB 10-2:76 89 VAL HN 7.00 (# 76:10 Single Ambig)
&rst
ixpk= 76, nxpk= 10, iat= -1,1347, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1423,1424,1316,1317,
&end
#
# 90 GLU HN 89 VAL HN 3.50 (# 77:10 Unique 2.87, 3.02 A)
&rst
ixpk= 77, nxpk= 10, iat=1363,1347, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 91 VAL HN 89 VAL HN 7.00 (# 78:10 Unique 4.32, 4.49 A)
&rst
ixpk= 78, nxpk= 10, iat=1378,1347, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 88 PRO HA 89 VAL HN 2.80 (# 79:10 Unique 2.11, 2.16 A)
&rst
ixpk= 79, nxpk= 10, iat=1343,1347, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 89 VAL HA 89 VAL HN 2.80 (# 80:10 Unique 2.72, 2.77 A)
&rst
ixpk= 80, nxpk= 10, iat=1349,1347, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 88 PRO HB- 89 VAL HN 4.50 (# 81:10 Unique 3.70, 4.04 A)
&rst
ixpk= 81, nxpk= 10, iat= -1,1347, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1340,1341,
&end
#
# 0 AMB 10-2:82 89 VAL HN 7.00 (# 82:10 Single Ambig)
&rst
ixpk= 82, nxpk= 10, iat= -1,1347, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1=1337,1338,1382,
&end
#
# 89 VAL HB 89 VAL HN 2.80 (# 83:10 Unique 2.31, 2.37 A)
&rst
ixpk= 83, nxpk= 10, iat=1351,1347, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 88 PRO HB+ 89 VAL HN 4.50 (# 84:10 Unique 3.70, 4.04 A)
&rst
ixpk= 84, nxpk= 10, iat= -1,1347, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1340,1341,
&end
#
# 89 VAL MGX 89 VAL HN 4.50 (# 85:10 Unique 2.26, 3.90 A)
&rst
ixpk= 85, nxpk= 10, iat= -1,1347, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1353,1354,1355,1357,1358,1359,
&end
#
# 89 VAL MGY 89 VAL HN 2.80 (# 86:10 Unique 2.26, 3.90 A)
&rst
ixpk= 86, nxpk= 10, iat= -1,1347, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1353,1354,1355,1357,1358,1359,
&end
#
# 57 SER HB+ 58 ALA HN 4.50 (# 89:10 Unique 2.18, 3.30 A)
&rst
ixpk= 89, nxpk= 10, iat= -1, 854, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 847, 848,
&end
#
# 57 SER HA 58 ALA HN 2.80 (# 90:10 Unique 2.04, 2.30 A)
&rst
ixpk= 90, nxpk= 10, iat= 845, 854, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 58 ALA MB 58 ALA HN 2.80 (# 91:10 Unique 2.30, 2.93 A)
&rst
ixpk= 91, nxpk= 10, iat= -1, 854, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 858, 859, 860,
&end
#
# 58 ALA HA 58 ALA HN 4.50 (# 92:10 Unique 2.93, 2.97 A)
&rst
ixpk= 92, nxpk= 10, iat= 856, 854, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 59 GLU HN 58 ALA HN 5.50 (# 93:10 Unique 4.46, 4.61 A)
&rst
ixpk= 93, nxpk= 10, iat= 864, 854, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 103 LYS HA 60 VAL HN 5.50 (# 94:10 Unique 3.13, 3.32 A)
&rst
ixpk= 94, nxpk= 10, iat=1560, 879, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:95 58 ALA HN 5.50 (# 95:10 Single Ambig)
&rst
ixpk= 95, nxpk= 10, iat= -1, 854, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 614,1599,
&end
#
# 0 AMB 10-2:97 0 AMB 10-1:97 2.80 (# 97:10 Double Ambig)
&rst
ixpk= 97, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 885, 886, 887, 889, 890, 891, 237, 238,
igr2= 879, 227,
&end
#
# 59 GLU HA 60 VAL HN 2.80 (# 98:10 Unique 2.21, 2.24 A)
&rst
ixpk= 98, nxpk= 10, iat= 866, 879, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:99 0 AMB 10-1:99 3.50 (# 99:10 Double Ambig)
&rst
ixpk= 99, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 871, 872, 608, 609,
igr2= 879, 854,
&end
#
# 60 VAL HB 60 VAL HN 2.80 (# 100:10 Unique 2.54, 2.59 A)
&rst
ixpk= 100, nxpk= 10, iat= 883, 879, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:101 0 AMB 10-1:101 4.50 (# 101:10 Double Ambig)
&rst
ixpk= 101, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 352,1534,
igr2= 227, 879,
&end
#
# 15 GLU HA 16 ILE HN 2.80 (# 102:10 Unique 2.15, 2.20 A)
&rst
ixpk= 102, nxpk= 10, iat= 214, 227, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 16 ILE HB 16 ILE HN 2.80 (# 103:10 Unique 2.52, 2.64 A)
&rst
ixpk= 103, nxpk= 10, iat= 231, 227, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 16 ILE HG1+ 16 ILE HN 3.50 (# 104:10 Preassigned 2.44, 3.34 A)
&rst
ixpk= 104, nxpk= 10, iat= -1, 227, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 237, 238,
&end
#
# 16 ILE QG2 16 ILE HN 4.50 (# 105:10 Unique 4.31, 4.69 A)
&rst
ixpk= 105, nxpk= 10, iat= -1, 227, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 233, 234, 235,
&end
#
# 0 AMB 10-2:106 0 AMB 10-1:106 5.50 (# 106:10 Double Ambig)
&rst
ixpk= 106, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 219, 220, 570, 571, 572, 574, 575, 576,
igr2= 227, 879,
&end
#
# 34 ILE HA 63 GLU HN 4.50 (# 107:10 Unique 3.64, 3.76 A)
&rst
ixpk= 107, nxpk= 10, iat= 527, 941, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 33 VAL HN 63 GLU HN 3.50 (# 108:10 Unique 2.80, 2.90 A)
&rst
ixpk= 108, nxpk= 10, iat= 509, 941, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 32 TYR HD 63 GLU HN 5.50 (# 109:10 Unique 3.17, 5.39 A)
&rst
ixpk= 109, nxpk= 10, iat= -1, 941, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 496, 505,
&end
#
# 62 ARG HA 63 GLU HN 2.80 (# 110:10 Unique 2.28, 2.31 A)
&rst
ixpk= 110, nxpk= 10, iat= 919, 941, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 63 GLU HA 63 GLU HN 3.50 (# 111:10 Unique 2.86, 2.91 A)
&rst
ixpk= 111, nxpk= 10, iat= 943, 941, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:112 63 GLU HN 5.50 (# 112:10 Single Ambig)
&rst
ixpk= 112, nxpk= 10, iat= -1, 941, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 492, 493, 927, 928,
&end
#
# 32 TYR HB+ 63 GLU HN 7.00 (# 113:10 Unique 3.61, 4.99 A)
&rst
ixpk= 113, nxpk= 10, iat= -1, 941, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 492, 493,
&end
#
# 63 GLU HG+ 63 GLU HN 5.50 (# 114:10 Unique 3.48, 4.52 A)
&rst
ixpk= 114, nxpk= 10, iat= -1, 941, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 948, 949,
&end
#
# 0 AMB 10-2:115 63 GLU HN 3.50 (# 115:10 Single Ambig)
&rst
ixpk= 115, nxpk= 10, iat= -1, 941, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 945, 946, 948, 949,
&end
#
# 62 ARG HB- 63 GLU HN 5.50 (# 116:10 Unique 4.14, 4.32 A)
&rst
ixpk= 116, nxpk= 10, iat= -1, 941, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 921, 922,
&end
#
# 63 GLU HB+ 63 GLU HN 3.50 (# 117:10 Unique 2.80, 3.32 A)
&rst
ixpk= 117, nxpk= 10, iat= -1, 941, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 945, 946,
&end
#
# 62 ARG HG- 63 GLU HN 3.50 (# 118:10 Unique 2.79, 3.19 A)
&rst
ixpk= 118, nxpk= 10, iat= -1, 941, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 924, 925,
&end
#
# 62 ARG HG+ 63 GLU HN 4.50 (# 119:10 Unique 2.79, 3.19 A)
&rst
ixpk= 119, nxpk= 10, iat= -1, 941, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 924, 925,
&end
#
# 0 AMB 10-2:120 63 GLU HN 5.50 (# 120:10 Single Ambig)
&rst
ixpk= 120, nxpk= 10, iat= -1, 941, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 535, 536, 963, 964,
&end
#
# 33 VAL MGX 63 GLU HN 5.50 (# 121:10 Unique 2.91, 5.05 A)
&rst
ixpk= 121, nxpk= 10, iat= -1, 941, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 515, 516, 517, 519, 520, 521,
&end
#
# 33 VAL MGY 63 GLU HN 2.80 (# 122:10 Preassigned 2.91, 5.05 A)
&rst
ixpk= 122, nxpk= 10, iat= -1, 941, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 515, 516, 517, 519, 520, 521,
&end
#
# 16 ILE HA 16 ILE HN 7.00 (# 123:10 Unique 2.99, 3.00 A)
&rst
ixpk= 123, nxpk= 10, iat= 229, 227, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 32 TYR HN 31 GLY HN 3.50 (# 125:10 Unique 2.43, 2.60 A)
&rst
ixpk= 125, nxpk= 10, iat= 488, 481, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 29 GLY HN 31 GLY HN 5.50 (# 126:10 Unique 3.67, 3.99 A)
&rst
ixpk= 126, nxpk= 10, iat= 462, 481, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 30 ASP HA 31 GLY HN 4.50 (# 129:10 Unique 2.78, 3.05 A)
&rst
ixpk= 129, nxpk= 10, iat= 471, 481, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 31 GLY HA+ 31 GLY HN 3.50 (# 130:10 Unique 2.33, 2.66 A)
&rst
ixpk= 130, nxpk= 10, iat= -1, 481, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 483, 484,
&end
#
# 31 GLY HA- 31 GLY HN 2.80 (# 131:10 Unique 2.33, 2.66 A)
&rst
ixpk= 131, nxpk= 10, iat= -1, 481, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 483, 484,
&end
#
# 29 GLY HA+ 31 GLY HN 7.00 (# 132:10 Unique 3.30, 4.06 A)
&rst
ixpk= 132, nxpk= 10, iat= -1, 481, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 464, 465,
&end
#
# 33 VAL MGX 65 LEU HN 5.50 (# 133:10 Unique 2.64, 4.28 A)
&rst
ixpk= 133, nxpk= 10, iat= -1, 980, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 515, 516, 517, 519, 520, 521,
&end
#
# 66 GLU HN 65 LEU HN 3.50 (# 134:10 Unique 2.96, 3.14 A)
&rst
ixpk= 134, nxpk= 10, iat= 999, 980, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:135 65 LEU HN 4.50 (# 135:10 Single Ambig)
&rst
ixpk= 135, nxpk= 10, iat= -1, 980, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 509, 956,
&end
#
# 0 AMB 10-2:136 65 LEU HN 7.00 (# 136:10 Single Ambig)
&rst
ixpk= 136, nxpk= 10, iat= -1, 980, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1=1014, 496, 505,
&end
#
# 32 TYR HA 65 LEU HN 2.80 (# 137:10 Unique 2.33, 2.71 A)
&rst
ixpk= 137, nxpk= 10, iat= 490, 980, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 64 ARG HA 65 LEU HN 2.80 (# 138:10 Unique 2.09, 2.14 A)
&rst
ixpk= 138, nxpk= 10, iat= 958, 980, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 65 LEU HA 65 LEU HN 3.50 (# 139:10 Unique 2.74, 2.77 A)
&rst
ixpk= 139, nxpk= 10, iat= 982, 980, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 66 GLU HB- 65 LEU HN 7.00 (# 140:10 Unique 5.29, 6.12 A)
&rst
ixpk= 140, nxpk= 10, iat= -1, 980, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1003,1004,
&end
#
# 0 AMB 10-2:141 65 LEU HN 2.80 (# 141:10 Single Ambig)
&rst
ixpk= 141, nxpk= 10, iat= -1, 980, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 984, 985, 960, 961,
&end
#
# 65 LEU HB+ 65 LEU HN 2.80 (# 142:10 Unique 2.25, 2.50 A)
&rst
ixpk= 142, nxpk= 10, iat= -1, 980, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 984, 985,
&end
#
# 65 LEU MDY 65 LEU HN 5.50 (# 143:10 Preassigned 4.58, 5.20 A)
&rst
ixpk= 143, nxpk= 10, iat= -1, 980, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 989, 990, 991, 993, 994, 995,
&end
#
# 17 PHE HB- 18 ARG HN 5.50 (# 144:10 Unique 2.91, 4.27 A)
&rst
ixpk= 144, nxpk= 10, iat= -1, 266, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 250, 251,
&end
#
# 65 LEU MDX 65 LEU HN 4.50 (# 145:10 Unique 4.58, 5.20 A)
&rst
ixpk= 145, nxpk= 10, iat= -1, 980, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 989, 990, 991, 993, 994, 995,
&end
#
# 0 AMB 10-2:148 7 GLU HN 7.00 (# 148:10 Single Ambig)
&rst
ixpk= 148, nxpk= 10, iat= -1, 90, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 58,1141,
&end
#
# 7 GLU HA 7 GLU HN 5.50 (# 149:10 Unique 2.86, 2.94 A)
&rst
ixpk= 149, nxpk= 10, iat= 92, 90, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 6 GLN HA 7 GLU HN 2.80 (# 150:10 Unique 2.20, 2.28 A)
&rst
ixpk= 150, nxpk= 10, iat= 75, 90, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 7 GLU HG- 7 GLU HN 7.00 (# 151:10 Unique 2.44, 4.10 A)
&rst
ixpk= 151, nxpk= 10, iat= -1, 90, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 97, 98,
&end
#
# 0 AMB 10-2:152 7 GLU HN 4.50 (# 152:10 Single Ambig)
&rst
ixpk= 152, nxpk= 10, iat= -1, 90, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 94, 95, 77, 78,
&end
#
# 0 AMB 10-2:153 7 GLU HN 3.50 (# 153:10 Single Ambig)
&rst
ixpk= 153, nxpk= 10, iat= -1, 90, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 94, 95, 77, 78,
&end
#
# 18 ARG HA 18 ARG HN 5.50 (# 154:10 Unique 2.82, 2.91 A)
&rst
ixpk= 154, nxpk= 10, iat= 268, 266, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 22 GLU HA 18 ARG HN 3.50 (# 155:10 Unique 2.30, 2.76 A)
&rst
ixpk= 155, nxpk= 10, iat= 339, 266, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 17 PHE HA 18 ARG HN 2.80 (# 156:10 Unique 2.08, 2.36 A)
&rst
ixpk= 156, nxpk= 10, iat= 248, 266, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:157 18 ARG HN 7.00 (# 157:10 Single Ambig)
&rst
ixpk= 157, nxpk= 10, iat= -1, 266, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 250, 251,1076,1077,
&end
#
# 0 AMB 10-2:158 18 ARG HN 3.50 (# 158:10 Single Ambig)
&rst
ixpk= 158, nxpk= 10, iat= -1, 266, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 270, 271, 273, 274,
&end
#
# 18 ARG HG- 18 ARG HN 5.50 (# 159:10 Unique 2.39, 3.94 A)
&rst
ixpk= 159, nxpk= 10, iat= -1, 266, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 273, 274,
&end
#
# 0 AMB 10-2:160 18 ARG HN 4.50 (# 160:10 Single Ambig)
&rst
ixpk= 160, nxpk= 10, iat= -1, 266, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 270, 271, 233, 234, 235,
&end
#
# 22 GLU HG- 18 ARG HN 7.00 (# 161:10 Unique 3.38, 5.04 A)
&rst
ixpk= 161, nxpk= 10, iat= -1, 266, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 344, 345,
&end
#
# 79 SER HN 78 ASN HN 4.50 (# 162:10 Unique 3.50, 3.75 A)
&rst
ixpk= 162, nxpk= 10, iat=1183,1169, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 78 ASN HD2+ 78 ASN HN 5.50 (# 163:10 Unique 3.14, 4.31 A)
&rst
ixpk= 163, nxpk= 10, iat= -1,1169, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1178,1179,
&end
#
# 78 ASN HA 78 ASN HN 4.50 (# 164:10 Unique 2.91, 2.93 A)
&rst
ixpk= 164, nxpk= 10, iat=1171,1169, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 77 ASN HA 78 ASN HN 2.80 (# 165:10 Unique 2.21, 2.30 A)
&rst
ixpk= 165, nxpk= 10, iat=1157,1169, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 78 ASN HB- 78 ASN HN 3.50 (# 166:10 Unique 2.35, 3.01 A)
&rst
ixpk= 166, nxpk= 10, iat= -1,1169, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1173,1174,
&end
#
# 78 ASN HB+ 78 ASN HN 2.80 (# 167:10 Unique 2.35, 3.01 A)
&rst
ixpk= 167, nxpk= 10, iat= -1,1169, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1173,1174,
&end
#
# 76 VAL MGY 78 ASN HN 3.50 (# 168:10 Unique 2.66, 5.38 A)
&rst
ixpk= 168, nxpk= 10, iat= -1,1169, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1145,1146,1147,1149,1150,1151,
&end
#
# 77 ASN HB+ 78 ASN HN 5.50 (# 169:10 Unique 4.52, 4.58 A)
&rst
ixpk= 169, nxpk= 10, iat= -1,1169, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1159,1160,
&end
#
# 93 ILE HA 96 ALA HN 4.50 (# 173:10 Unique 3.19, 3.29 A)
&rst
ixpk= 173, nxpk= 10, iat=1415,1454, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:174 0 AMB 10-1:174 2.80 (# 174:10 Double Ambig)
&rst
ixpk= 174, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1456, 822, 823,
igr2=1454, 799,
&end
#
# 0 AMB 10-2:175 96 ALA HN 5.50 (# 175:10 Single Ambig)
&rst
ixpk= 175, nxpk= 10, iat= -1,1454, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=1468,1469,1468,1469,1417,
&end
#
# 96 ALA MB 96 ALA HN 2.80 (# 176:10 Unique 2.26, 2.79 A)
&rst
ixpk= 176, nxpk= 10, iat= -1,1454, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1458,1459,1460,
&end
#
# 120 LEU MDX 96 ALA HN 3.50 (# 177:10 Preassigned 3.20, 4.64 A)
&rst
ixpk= 177, nxpk= 10, iat= -1,1454, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1854,1855,1856,1858,1859,1860,
&end
#
# 120 LEU MDY 96 ALA HN 5.50 (# 178:10 Unique 3.20, 4.64 A)
&rst
ixpk= 178, nxpk= 10, iat= -1,1454, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1854,1855,1856,1858,1859,1860,
&end
#
# 98 GLU HN 96 ALA HN 7.00 (# 179:10 Unique 4.15, 4.27 A)
&rst
ixpk= 179, nxpk= 10, iat=1486,1454, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 36 LEU HB+ 36 LEU HN 5.50 (# 180:10 Unique 2.29, 2.73 A)
&rst
ixpk= 180, nxpk= 10, iat= -1, 561, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 565, 566,
&end
#
# 35 HIS HB+ 36 LEU HN 5.50 (# 181:10 Unique 2.31, 3.28 A)
&rst
ixpk= 181, nxpk= 10, iat= -1, 561, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 548, 549,
&end
#
# 35 HIS HA 36 LEU HN 3.50 (# 182:10 Unique 2.29, 2.44 A)
&rst
ixpk= 182, nxpk= 10, iat= 546, 561, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 36 LEU HB- 36 LEU HN 7.00 (# 183:10 Unique 2.29, 2.73 A)
&rst
ixpk= 183, nxpk= 10, iat= -1, 561, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 565, 566,
&end
#
# 36 LEU MDY 36 LEU HN 7.00 (# 184:10 Unique 2.90, 5.10 A)
&rst
ixpk= 184, nxpk= 10, iat= -1, 561, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 570, 571, 572, 574, 575, 576,
&end
#
# 116 PHE HD 36 LEU HN 7.00 (# 185:10 Unique 2.70, 5.08 A)
&rst
ixpk= 185, nxpk= 10, iat= -1, 561, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1786,1794,
&end
#
# 62 ARG HA 62 ARG HN 4.50 (# 187:10 Unique 2.99, 3.00 A)
&rst
ixpk= 187, nxpk= 10, iat= 919, 917, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:188 62 ARG HN 5.50 (# 188:10 Single Ambig)
&rst
ixpk= 188, nxpk= 10, iat= -1, 917, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 948, 949, 945, 946,
&end
#
# 0 AMB 10-2:190 62 ARG HN 5.50 (# 190:10 Single Ambig)
&rst
ixpk= 190, nxpk= 10, iat= -1, 917, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 941,1534,
&end
#
# 61 LYS HA 62 ARG HN 2.80 (# 191:10 Unique 2.20, 2.31 A)
&rst
ixpk= 191, nxpk= 10, iat= 897, 917, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 62 ARG HB- 62 ARG HN 2.80 (# 192:10 Unique 2.42, 2.76 A)
&rst
ixpk= 192, nxpk= 10, iat= -1, 917, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 921, 922,
&end
#
# 61 LYS HB- 62 ARG HN 3.50 (# 193:10 Unique 2.45, 3.21 A)
&rst
ixpk= 193, nxpk= 10, iat= -1, 917, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 899, 900,
&end
#
# 62 ARG HB+ 62 ARG HN 2.80 (# 194:10 Preassigned 2.42, 2.76 A)
&rst
ixpk= 194, nxpk= 10, iat= -1, 917, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 921, 922,
&end
#
# 61 LYS HG- 62 ARG HN 4.50 (# 195:10 Unique 3.16, 4.35 A)
&rst
ixpk= 195, nxpk= 10, iat= -1, 917, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 902, 903,
&end
#
# 100 VAL MGX 62 ARG HN 4.50 (# 196:10 Unique 3.23, 4.18 A)
&rst
ixpk= 196, nxpk= 10, iat= -1, 917, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1524,1525,1526,1528,1529,1530,
&end
#
# 100 VAL MGY 62 ARG HN 2.80 (# 197:10 Unique 3.23, 4.18 A)
&rst
ixpk= 197, nxpk= 10, iat= -1, 917, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1524,1525,1526,1528,1529,1530,
&end
#
# 0 AMB 10-2:198 62 ARG HN 7.00 (# 198:10 Single Ambig)
&rst
ixpk= 198, nxpk= 10, iat= -1, 917, r1= 0.00, r2= 1.80, r3=10.10, r4=10.85,
igr1= 538, 539, 540, 885, 886, 887, 889, 890, 891,
&end
#
# 95 SER HA 96 ALA HN 4.50 (# 199:10 Unique 3.59, 3.62 A)
&rst
ixpk= 199, nxpk= 10, iat=1445,1454, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:200 96 ALA HN 4.50 (# 200:10 Single Ambig)
&rst
ixpk= 200, nxpk= 10, iat= -1,1454, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 538, 539, 540,1426,1427,1428, 449, 450, 451,
&end
#
# 53 VAL MGY 54 LEU HN 3.50 (# 201:10 Unique 2.47, 4.45 A)
&rst
ixpk= 201, nxpk= 10, iat= -1, 799, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 789, 790, 791, 793, 794, 795,
&end
#
# 0 AMB 10-2:203 62 ARG HN 7.00 (# 203:10 Single Ambig)
&rst
ixpk= 203, nxpk= 10, iat= -1, 917, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 908, 909, 927, 928,
&end
#
# 63 GLU HG+ 62 ARG HN 7.00 (# 204:10 Unique 3.63, 5.51 A)
&rst
ixpk= 204, nxpk= 10, iat= -1, 917, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 948, 949,
&end
#
# 53 VAL HB 54 LEU HN 7.00 (# 207:10 Unique 1.99, 3.37 A)
&rst
ixpk= 207, nxpk= 10, iat= 787, 799, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 54 LEU HA 54 LEU HN 5.50 (# 208:10 Unique 2.22, 2.81 A)
&rst
ixpk= 208, nxpk= 10, iat= 801, 799, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 54 LEU HB+ 54 LEU HN 3.50 (# 209:10 Unique 2.25, 3.03 A)
&rst
ixpk= 209, nxpk= 10, iat= -1, 799, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 803, 804,
&end
#
# 34 ILE HG1+ 35 HIS HN 5.50 (# 210:10 Unique 3.94, 4.49 A)
&rst
ixpk= 210, nxpk= 10, iat= -1, 544, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 535, 536,
&end
#
# 35 HIS HD2 35 HIS HN 2.80 (# 211:10 Unique 2.48, 2.73 A)
&rst
ixpk= 211, nxpk= 10, iat= 557, 544, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 62 ARG HA 35 HIS HN 4.50 (# 212:10 Unique 3.61, 3.76 A)
&rst
ixpk= 212, nxpk= 10, iat= 919, 544, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 34 ILE HA 35 HIS HN 2.80 (# 213:10 Unique 2.17, 2.22 A)
&rst
ixpk= 213, nxpk= 10, iat= 527, 544, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 35 HIS HB- 35 HIS HN 7.00 (# 214:10 Unique 3.29, 3.65 A)
&rst
ixpk= 214, nxpk= 10, iat= -1, 544, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 548, 549,
&end
#
# 34 ILE HB 35 HIS HN 4.50 (# 215:10 Preassigned 4.28, 4.32 A)
&rst
ixpk= 215, nxpk= 10, iat= 529, 544, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:216 35 HIS HN 5.50 (# 216:10 Single Ambig)
&rst
ixpk= 216, nxpk= 10, iat= -1, 544, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 535, 536, 397, 398, 399,
&end
#
# 34 ILE QG2 35 HIS HN 2.80 (# 217:10 Unique 2.60, 3.41 A)
&rst
ixpk= 217, nxpk= 10, iat= -1, 544, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 531, 532, 533,
&end
#
# 0 AMB 10-2:218 35 HIS HN 5.50 (# 218:10 Single Ambig)
&rst
ixpk= 218, nxpk= 10, iat= -1, 544, r1= 0.00, r2= 1.80, r3= 8.64, r4= 9.39,
igr1= 885, 886, 887, 889, 890, 891, 538, 539, 540, 515,
516, 517, 519, 520, 521,
&end
#
# 33 VAL MGY 35 HIS HN 5.50 (# 219:10 Preassigned 4.75, 6.80 A)
&rst
ixpk= 219, nxpk= 10, iat= -1, 544, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 515, 516, 517, 519, 520, 521,
&end
#
# 35 HIS HA 35 HIS HN 4.50 (# 220:10 Unique 2.92, 2.96 A)
&rst
ixpk= 220, nxpk= 10, iat= 546, 544, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:222 76 VAL HN 3.50 (# 222:10 Single Ambig)
&rst
ixpk= 222, nxpk= 10, iat= -1,1139, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1=1119,1120,1143, 77, 78,
&end
#
# 75 ARG HG+ 76 VAL HN 5.50 (# 223:10 Unique 2.49, 4.23 A)
&rst
ixpk= 223, nxpk= 10, iat= -1,1139, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1122,1123,
&end
#
# 76 VAL MGY 76 VAL HN 4.50 (# 224:10 Unique 2.27, 4.04 A)
&rst
ixpk= 224, nxpk= 10, iat= -1,1139, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1145,1146,1147,1149,1150,1151,
&end
#
# 76 VAL MGX 76 VAL HN 2.80 (# 225:10 Unique 2.27, 4.04 A)
&rst
ixpk= 225, nxpk= 10, iat= -1,1139, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1145,1146,1147,1149,1150,1151,
&end
#
# 90 GLU HN 92 ILE HN 7.00 (# 227:10 Unique 4.24, 4.29 A)
&rst
ixpk= 227, nxpk= 10, iat=1363,1394, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 93 ILE HN 92 ILE HN 3.50 (# 228:10 Unique 2.68, 2.78 A)
&rst
ixpk= 228, nxpk= 10, iat=1413,1394, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 91 VAL HN 92 ILE HN 2.80 (# 229:10 Unique 2.54, 2.59 A)
&rst
ixpk= 229, nxpk= 10, iat=1378,1394, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 90 GLU HA 92 ILE HN 7.00 (# 230:10 Unique 4.43, 4.52 A)
&rst
ixpk= 230, nxpk= 10, iat=1365,1394, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 91 VAL HA 92 ILE HN 4.50 (# 231:10 Unique 3.58, 3.60 A)
&rst
ixpk= 231, nxpk= 10, iat=1380,1394, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 89 VAL HA 92 ILE HN 4.50 (# 232:10 Unique 2.93, 3.14 A)
&rst
ixpk= 232, nxpk= 10, iat=1349,1394, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 92 ILE HA 92 ILE HN 3.50 (# 233:10 Unique 2.87, 2.89 A)
&rst
ixpk= 233, nxpk= 10, iat=1396,1394, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 91 VAL HB 92 ILE HN 3.50 (# 234:10 Preassigned 2.71, 2.86 A)
&rst
ixpk= 234, nxpk= 10, iat=1382,1394, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 92 ILE HB 92 ILE HN 2.80 (# 235:10 Unique 2.59, 2.67 A)
&rst
ixpk= 235, nxpk= 10, iat=1398,1394, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 92 ILE HG1+ 92 ILE HN 2.80 (# 236:10 Unique 1.91, 2.58 A)
&rst
ixpk= 236, nxpk= 10, iat= -1,1394, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1404,1405,
&end
#
# 92 ILE HG1- 92 ILE HN 3.50 (# 238:10 Unique 1.91, 2.58 A)
&rst
ixpk= 238, nxpk= 10, iat= -1,1394, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1404,1405,
&end
#
# 91 VAL MGX 92 ILE HN 4.50 (# 239:10 Unique 3.73, 4.77 A)
&rst
ixpk= 239, nxpk= 10, iat= -1,1394, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1384,1385,1386,1388,1389,1390,
&end
#
# 0 AMB 10-2:240 92 ILE HN 3.50 (# 240:10 Single Ambig)
&rst
ixpk= 240, nxpk= 10, iat= -1,1394, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
igr1=1384,1385,1386,1388,1389,1390,1407,1408,1409,1353,
1354,1355,1357,1358,1359,
&end
#
# 92 ILE QG2 92 ILE HN 5.50 (# 241:10 Preassigned 4.46, 4.59 A)
&rst
ixpk= 241, nxpk= 10, iat= -1,1394, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1400,1401,1402,
&end
#
# 0 AMB 10-2:242 92 ILE HN 7.00 (# 242:10 Single Ambig)
&rst
ixpk= 242, nxpk= 10, iat= -1,1394, r1= 0.00, r2= 1.80, r3=10.73, r4=11.48,
igr1=1926,1927, 412, 413, 414, 416, 417, 418,1868,1869,
1458,1459,1460,
&end
#
# 27 TYR HD 9 LYS HN 7.00 (# 243:10 Unique 3.23, 5.33 A)
&rst
ixpk= 243, nxpk= 10, iat= -1, 119, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 430, 439,
&end
#
# 0 AMB 10-2:244 26 LEU HN 7.00 (# 244:10 Single Ambig)
&rst
ixpk= 244, nxpk= 10, iat= -1, 403, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 193, 509,
&end
#
# 34 ILE HN 26 LEU HN 3.50 (# 245:10 Unique 2.91, 3.03 A)
&rst
ixpk= 245, nxpk= 10, iat= 525, 403, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 35 HIS HA 26 LEU HN 5.50 (# 246:10 Unique 3.54, 3.65 A)
&rst
ixpk= 246, nxpk= 10, iat= 546, 403, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 26 LEU HA 26 LEU HN 4.50 (# 247:10 Unique 2.98, 2.99 A)
&rst
ixpk= 247, nxpk= 10, iat= 405, 403, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 25 ALA HA 26 LEU HN 2.80 (# 248:10 Unique 2.20, 2.26 A)
&rst
ixpk= 248, nxpk= 10, iat= 395, 403, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 35 HIS HB+ 26 LEU HN 7.00 (# 249:10 Unique 3.60, 4.51 A)
&rst
ixpk= 249, nxpk= 10, iat= -1, 403, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 548, 549,
&end
#
# 35 HIS HB- 26 LEU HN 5.50 (# 250:10 Unique 3.60, 4.51 A)
&rst
ixpk= 250, nxpk= 10, iat= -1, 403, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 548, 549,
&end
#
# 26 LEU HB- 26 LEU HN 2.80 (# 251:10 Unique 2.39, 2.63 A)
&rst
ixpk= 251, nxpk= 10, iat= -1, 403, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 407, 408,
&end
#
# 117 VAL MGX 26 LEU HN 2.80 (# 253:10 Unique 2.98, 4.80 A)
&rst
ixpk= 253, nxpk= 10, iat= -1, 403, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1804,1805,1806,1808,1809,1810,
&end
#
# 25 ALA MB 26 LEU HN 2.80 (# 254:10 Unique 2.66, 3.52 A)
&rst
ixpk= 254, nxpk= 10, iat= -1, 403, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 397, 398, 399,
&end
#
# 0 AMB 10-2:255 26 LEU HN 4.50 (# 255:10 Single Ambig)
&rst
ixpk= 255, nxpk= 10, iat= -1, 403, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 515, 516, 517, 519, 520, 521, 449, 450, 451,
&end
#
# 33 VAL MGY 26 LEU HN 5.50 (# 256:10 Unique 4.39, 5.72 A)
&rst
ixpk= 256, nxpk= 10, iat= -1, 403, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 515, 516, 517, 519, 520, 521,
&end
#
# 117 VAL HB 26 LEU HN 7.00 (# 257:10 Unique 4.13, 4.43 A)
&rst
ixpk= 257, nxpk= 10, iat=1802, 403, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 0 AMB 10-2:258 9 LYS HN 7.00 (# 258:10 Single Ambig)
&rst
ixpk= 258, nxpk= 10, iat= -1, 119, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 109, 110, 203, 204,
&end
#
# 8 PRO HA 9 LYS HN 2.80 (# 259:10 Unique 2.12, 2.21 A)
&rst
ixpk= 259, nxpk= 10, iat= 115, 119, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 12 ASP HB+ 9 LYS HN 5.50 (# 260:10 Unique 2.42, 3.26 A)
&rst
ixpk= 260, nxpk= 10, iat= -1, 119, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 166, 167,
&end
#
# 9 LYS HB- 9 LYS HN 3.50 (# 261:10 Unique 2.39, 3.13 A)
&rst
ixpk= 261, nxpk= 10, iat= -1, 119, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 123, 124,
&end
#
# 8 PRO HB- 9 LYS HN 4.50 (# 262:10 Unique 2.72, 3.39 A)
&rst
ixpk= 262, nxpk= 10, iat= -1, 119, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 112, 113,
&end
#
# 0 AMB 10-2:263 9 LYS HN 2.80 (# 263:10 Single Ambig)
&rst
ixpk= 263, nxpk= 10, iat= -1, 119, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 126, 127, 126, 127,
&end
#
# 8 PRO HG- 9 LYS HN 7.00 (# 264:10 Unique 4.38, 4.99 A)
&rst
ixpk= 264, nxpk= 10, iat= -1, 119, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 109, 110,
&end
#
# 76 VAL MGY 9 LYS HN 5.50 (# 265:10 Unique 3.56, 5.01 A)
&rst
ixpk= 265, nxpk= 10, iat= -1, 119, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1145,1146,1147,1149,1150,1151,
&end
#
# 76 VAL MGX 9 LYS HN 3.50 (# 266:10 Unique 3.56, 5.01 A)
&rst
ixpk= 266, nxpk= 10, iat= -1, 119, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1145,1146,1147,1149,1150,1151,
&end
#
# 8 PRO HB+ 9 LYS HN 4.50 (# 267:10 Unique 2.72, 3.39 A)
&rst
ixpk= 267, nxpk= 10, iat= -1, 119, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 112, 113,
&end
#
# 14 ILE QD1 9 LYS HN 7.00 (# 268:10 Unique 4.78, 6.37 A)
&rst
ixpk= 268, nxpk= 10, iat= -1, 119, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1= 206, 207, 208,
&end
#
# 9 LYS HA 9 LYS HN 3.50 (# 269:10 Unique 2.97, 2.98 A)
&rst
ixpk= 269, nxpk= 10, iat= 121, 119, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 12 ASP HB- 9 LYS HN 4.50 (# 270:10 Unique 2.42, 3.26 A)
&rst
ixpk= 270, nxpk= 10, iat= -1, 119, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 166, 167,
&end
#
# 0 AMB 10-2:271 9 LYS HN 7.00 (# 271:10 Single Ambig)
&rst
ixpk= 271, nxpk= 10, iat= -1, 119, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 94, 95, 148, 149,
&end
#
# 22 GLU HG- 23 HIS HN 7.00 (# 272:10 Unique 3.71, 4.44 A)
&rst
ixpk= 272, nxpk= 10, iat= -1, 352, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 344, 345,
&end
#
# 26 LEU HG 26 LEU HN 5.50 (# 273:10 Preassigned 4.63, 4.69 A)
&rst
ixpk= 273, nxpk= 10, iat= 410, 403, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 18 ARG HN 23 HIS HN 7.00 (# 275:10 Unique 3.00, 3.63 A)
&rst
ixpk= 275, nxpk= 10, iat= 266, 352, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 16 ILE HN 23 HIS HN 5.50 (# 276:10 Unique 2.84, 3.04 A)
&rst
ixpk= 276, nxpk= 10, iat= 227, 352, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 23 HIS HA 23 HIS HN 5.50 (# 277:10 Unique 2.95, 2.98 A)
&rst
ixpk= 277, nxpk= 10, iat= 354, 352, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 22 GLU HA 23 HIS HN 2.80 (# 278:10 Unique 2.20, 2.32 A)
&rst
ixpk= 278, nxpk= 10, iat= 339, 352, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 23 HIS HB- 23 HIS HN 5.50 (# 279:10 Unique 2.44, 3.08 A)
&rst
ixpk= 279, nxpk= 10, iat= -1, 352, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 356, 357,
&end
#
# 23 HIS HB+ 23 HIS HN 5.50 (# 280:10 Unique 2.44, 3.08 A)
&rst
ixpk= 280, nxpk= 10, iat= -1, 352, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 356, 357,
&end
#
# 22 GLU HB- 23 HIS HN 7.00 (# 281:10 Unique 2.33, 3.19 A)
&rst
ixpk= 281, nxpk= 10, iat= -1, 352, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 341, 342,
&end
#
# 16 ILE HB 23 HIS HN 4.50 (# 282:10 Unique 2.72, 3.16 A)
&rst
ixpk= 282, nxpk= 10, iat= 231, 352, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:283 23 HIS HN 4.50 (# 283:10 Single Ambig)
&rst
ixpk= 283, nxpk= 10, iat= -1, 352, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 341, 342, 270, 271,
&end
#
# 16 ILE QD1 23 HIS HN 7.00 (# 284:10 Unique 4.58, 6.11 A)
&rst
ixpk= 284, nxpk= 10, iat= -1, 352, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1= 240, 241, 242,
&end
#
# 64 ARG HD+ 64 ARG HN 7.00 (# 287:10 Unique 4.02, 4.60 A)
&rst
ixpk= 287, nxpk= 10, iat= -1, 956, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 966, 967,
&end
#
# 32 TYR HD 64 ARG HN 7.00 (# 288:10 Unique 3.69, 5.41 A)
&rst
ixpk= 288, nxpk= 10, iat= -1, 956, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 496, 505,
&end
#
# 63 GLU HA 64 ARG HN 2.80 (# 289:10 Unique 2.37, 2.49 A)
&rst
ixpk= 289, nxpk= 10, iat= 943, 956, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 64 ARG HA 64 ARG HN 4.50 (# 290:10 Unique 2.87, 2.91 A)
&rst
ixpk= 290, nxpk= 10, iat= 958, 956, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 64 ARG HD- 64 ARG HN 7.00 (# 291:10 Unique 4.02, 4.60 A)
&rst
ixpk= 291, nxpk= 10, iat= -1, 956, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 966, 967,
&end
#
# 67 ASP HB- 64 ARG HN 4.50 (# 292:10 Unique 3.00, 3.79 A)
&rst
ixpk= 292, nxpk= 10, iat= -1, 956, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1018,1019,
&end
#
# 63 GLU HG+ 64 ARG HN 4.50 (# 293:10 Unique 2.14, 3.94 A)
&rst
ixpk= 293, nxpk= 10, iat= -1, 956, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 948, 949,
&end
#
# 0 AMB 10-2:294 64 ARG HN 2.80 (# 294:10 Single Ambig)
&rst
ixpk= 294, nxpk= 10, iat= -1, 956, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 948, 949, 945, 946,
&end
#
# 64 ARG HG- 64 ARG HN 2.80 (# 295:10 Unique 2.31, 3.09 A)
&rst
ixpk= 295, nxpk= 10, iat= -1, 956, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 963, 964,
&end
#
# 65 LEU HN 64 ARG HN 7.00 (# 296:10 Unique 4.52, 4.56 A)
&rst
ixpk= 296, nxpk= 10, iat= 980, 956, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 119 GLN HG- 119 GLN HN 3.50 (# 298:10 Unique 2.06, 3.07 A)
&rst
ixpk= 298, nxpk= 10, iat= -1,1828, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1835,1836,
&end
#
# 119 GLN HG+ 119 GLN HN 2.80 (# 299:10 Unique 2.06, 3.07 A)
&rst
ixpk= 299, nxpk= 10, iat= -1,1828, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1835,1836,
&end
#
# 119 GLN HB+ 119 GLN HN 2.80 (# 300:10 Unique 2.33, 2.99 A)
&rst
ixpk= 300, nxpk= 10, iat= -1,1828, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1832,1833,
&end
#
# 117 VAL MGY 119 GLN HN 5.50 (# 301:10 Preassigned 5.17, 6.46 A)
&rst
ixpk= 301, nxpk= 10, iat= -1,1828, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1804,1805,1806,1808,1809,1810,
&end
#
# 118 THR MG2 119 GLN HN 5.50 (# 302:10 Unique 3.21, 4.63 A)
&rst
ixpk= 302, nxpk= 10, iat= -1,1828, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1820,1821,1822,
&end
#
# 118 THR HN 119 GLN HN 2.80 (# 303:10 Unique 2.58, 2.67 A)
&rst
ixpk= 303, nxpk= 10, iat=1814,1828, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 120 LEU HN 119 GLN HN 3.50 (# 304:10 Unique 2.78, 2.86 A)
&rst
ixpk= 304, nxpk= 10, iat=1845,1828, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 119 GLN HA 119 GLN HN 2.80 (# 305:10 Unique 2.82, 2.83 A)
&rst
ixpk= 305, nxpk= 10, iat=1830,1828, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 119 GLN HB- 119 GLN HN 2.80 (# 306:10 Unique 2.33, 2.99 A)
&rst
ixpk= 306, nxpk= 10, iat= -1,1828, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1832,1833,
&end
#
# 68 VAL MGY 64 ARG HN 4.50 (# 307:10 Preassigned 3.48, 6.17 A)
&rst
ixpk= 307, nxpk= 10, iat= -1, 956, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1032,1033,1034,1036,1037,1038,
&end
#
# 81 ASP HA 81 ASP HN 3.50 (# 308:10 Unique 2.81, 2.86 A)
&rst
ixpk= 308, nxpk= 10, iat=1215,1213, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 79 SER HA 81 ASP HN 5.50 (# 309:10 Unique 3.74, 3.94 A)
&rst
ixpk= 309, nxpk= 10, iat=1185,1213, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 80 LEU HB+ 81 ASP HN 5.50 (# 310:10 Unique 3.19, 3.80 A)
&rst
ixpk= 310, nxpk= 10, iat= -1,1213, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1198,1199,
&end
#
# 80 LEU HN 81 ASP HN 2.80 (# 311:10 Unique 2.80, 2.82 A)
&rst
ixpk= 311, nxpk= 10, iat=1194,1213, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 81 ASP HB- 81 ASP HN 2.80 (# 313:10 Unique 2.22, 2.51 A)
&rst
ixpk= 313, nxpk= 10, iat= -1,1213, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1217,1218,
&end
#
# 0 AMB 10-2:314 81 ASP HN 2.80 (# 314:10 Single Ambig)
&rst
ixpk= 314, nxpk= 10, iat= -1,1213, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1217,1218,1874,1875,
&end
#
# 0 AMB 10-2:317 14 ILE HN 4.50 (# 317:10 Single Ambig)
&rst
ixpk= 317, nxpk= 10, iat= -1, 193, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 178, 179, 426, 427,
&end
#
# 14 ILE HB 14 ILE HN 2.80 (# 318:10 Unique 2.59, 2.65 A)
&rst
ixpk= 318, nxpk= 10, iat= 197, 193, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 14 ILE HA 14 ILE HN 5.50 (# 320:10 Unique 2.99, 3.01 A)
&rst
ixpk= 320, nxpk= 10, iat= 195, 193, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 49 SER HA 51 PHE HN 4.50 (# 322:10 Unique 3.41, 4.00 A)
&rst
ixpk= 322, nxpk= 10, iat= 727, 752, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:323 51 PHE HN 7.00 (# 323:10 Single Ambig)
&rst
ixpk= 323, nxpk= 10, iat= -1, 752, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 742, 743, 744, 746, 747, 748, 742, 743, 744, 746,
747, 748,
&end
#
# 51 PHE HA 51 PHE HN 4.50 (# 324:10 Unique 2.24, 2.83 A)
&rst
ixpk= 324, nxpk= 10, iat= 754, 752, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 50 VAL HA 51 PHE HN 3.50 (# 325:10 Unique 2.72, 3.29 A)
&rst
ixpk= 325, nxpk= 10, iat= 738, 752, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 51 PHE HB+ 51 PHE HN 7.00 (# 326:10 Unique 2.27, 2.93 A)
&rst
ixpk= 326, nxpk= 10, iat= -1, 752, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 756, 757,
&end
#
# 51 PHE HB- 51 PHE HN 5.50 (# 327:10 Unique 2.27, 2.93 A)
&rst
ixpk= 327, nxpk= 10, iat= -1, 752, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 756, 757,
&end
#
# 124 LYS HN 125 SER HN 7.00 (# 328:10 Unique 2.88, 4.60 A)
&rst
ixpk= 328, nxpk= 10, iat=1916,1938, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 124 LYS HG- 125 SER HN 5.50 (# 329:10 Unique 3.76, 4.85 A)
&rst
ixpk= 329, nxpk= 10, iat= -1,1938, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1923,1924,
&end
#
# 0 AMB 10-2:330 125 SER HN 7.00 (# 330:10 Single Ambig)
&rst
ixpk= 330, nxpk= 10, iat= -1,1938, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1=1382,1337,1338,
&end
#
# 25 ALA MB 14 ILE HN 4.50 (# 331:10 Unique 3.63, 4.70 A)
&rst
ixpk= 331, nxpk= 10, iat= -1, 193, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 397, 398, 399,
&end
#
# 26 LEU HA 14 ILE HN 4.50 (# 332:10 Unique 3.69, 3.76 A)
&rst
ixpk= 332, nxpk= 10, iat= 405, 193, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 13 LEU HA 14 ILE HN 2.80 (# 333:10 Unique 2.07, 2.15 A)
&rst
ixpk= 333, nxpk= 10, iat= 176, 193, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 14 ILE HG1- 14 ILE HN 3.50 (# 334:10 Unique 2.50, 3.36 A)
&rst
ixpk= 334, nxpk= 10, iat= -1, 193, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 203, 204,
&end
#
# 14 ILE HG1+ 14 ILE HN 4.50 (# 335:10 Unique 2.50, 3.36 A)
&rst
ixpk= 335, nxpk= 10, iat= -1, 193, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 203, 204,
&end
#
# 13 LEU MDX 14 ILE HN 3.50 (# 336:10 Preassigned 3.80, 5.42 A)
&rst
ixpk= 336, nxpk= 10, iat= -1, 193, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 183, 184, 185, 187, 188, 189,
&end
#
# 0 AMB 10-2:337 14 ILE HN 4.50 (# 337:10 Single Ambig)
&rst
ixpk= 337, nxpk= 10, iat= -1, 193, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 206, 207, 208, 199, 200, 201,
&end
#
# 80 LEU HG 80 LEU HN 2.80 (# 338:10 Unique 2.01, 2.13 A)
&rst
ixpk= 338, nxpk= 10, iat=1201,1194, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 80 LEU MDY 80 LEU HN 2.80 (# 339:10 Preassigned 2.98, 4.14 A)
&rst
ixpk= 339, nxpk= 10, iat= -1,1194, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1203,1204,1205,1207,1208,1209,
&end
#
# 81 ASP HN 80 LEU HN 2.80 (# 340:10 Unique 2.80, 2.82 A)
&rst
ixpk= 340, nxpk= 10, iat=1213,1194, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 80 LEU HA 80 LEU HN 2.80 (# 341:10 Unique 2.82, 2.84 A)
&rst
ixpk= 341, nxpk= 10, iat=1196,1194, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 80 LEU HB- 80 LEU HN 2.80 (# 343:10 Unique 2.56, 3.15 A)
&rst
ixpk= 343, nxpk= 10, iat= -1,1194, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1198,1199,
&end
#
# 0 AMB 10-2:344 125 SER HN 5.50 (# 344:10 Single Ambig)
&rst
ixpk= 344, nxpk= 10, iat= -1,1938, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1926,1927,1926,1927,
&end
#
# 124 LYS HA 125 SER HN 3.50 (# 346:10 Unique 2.22, 2.40 A)
&rst
ixpk= 346, nxpk= 10, iat=1918,1938, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:347 125 SER HN 2.80 (# 347:10 Single Ambig)
&rst
ixpk= 347, nxpk= 10, iat= -1,1938, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1940,1445,
&end
#
# 125 SER HB+ 125 SER HN 2.80 (# 348:10 Unique 2.44, 3.10 A)
&rst
ixpk= 348, nxpk= 10, iat= -1,1938, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1942,1943,
&end
#
# 124 LYS HB- 125 SER HN 4.50 (# 349:10 Unique 1.87, 3.29 A)
&rst
ixpk= 349, nxpk= 10, iat= -1,1938, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1920,1921,
&end
#
# 124 LYS HB+ 125 SER HN 2.80 (# 350:10 Unique 1.87, 3.29 A)
&rst
ixpk= 350, nxpk= 10, iat= -1,1938, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1920,1921,
&end
#
# 124 LYS HG+ 125 SER HN 7.00 (# 351:10 Unique 3.76, 4.85 A)
&rst
ixpk= 351, nxpk= 10, iat= -1,1938, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1923,1924,
&end
#
# 24 TRP HA 25 ALA HN 2.80 (# 352:10 Unique 2.15, 2.25 A)
&rst
ixpk= 352, nxpk= 10, iat= 371, 393, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:353 25 ALA HN 4.50 (# 353:10 Single Ambig)
&rst
ixpk= 353, nxpk= 10, iat= -1, 393, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1804,1805,1806,1808,1809,1810, 203, 204,
&end
#
# 16 ILE QD1 25 ALA HN 4.50 (# 354:10 Unique 4.09, 5.20 A)
&rst
ixpk= 354, nxpk= 10, iat= -1, 393, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 240, 241, 242,
&end
#
# 26 LEU HN 25 ALA HN 7.00 (# 355:10 Unique 4.37, 4.45 A)
&rst
ixpk= 355, nxpk= 10, iat= 403, 393, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 24 TRP HD1 25 ALA HN 7.00 (# 356:10 Unique 3.59, 3.94 A)
&rst
ixpk= 356, nxpk= 10, iat= 377, 393, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 25 ALA HA 25 ALA HN 5.50 (# 357:10 Unique 2.93, 2.98 A)
&rst
ixpk= 357, nxpk= 10, iat= 395, 393, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 24 TRP HB+ 25 ALA HN 4.50 (# 358:10 Unique 2.42, 3.36 A)
&rst
ixpk= 358, nxpk= 10, iat= -1, 393, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 373, 374,
&end
#
# 14 ILE HB 25 ALA HN 4.50 (# 359:10 Unique 2.74, 3.16 A)
&rst
ixpk= 359, nxpk= 10, iat= 197, 393, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:360 25 ALA HN 4.50 (# 360:10 Single Ambig)
&rst
ixpk= 360, nxpk= 10, iat= -1, 393, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1804,1805,1806,1808,1809,1810, 203, 204,
&end
#
# 25 ALA MB 25 ALA HN 2.80 (# 361:10 Unique 2.68, 3.35 A)
&rst
ixpk= 361, nxpk= 10, iat= -1, 393, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 397, 398, 399,
&end
#
# 14 ILE QG2 25 ALA HN 4.50 (# 362:10 Preassigned 4.13, 5.13 A)
&rst
ixpk= 362, nxpk= 10, iat= -1, 393, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 199, 200, 201,
&end
#
# 0 AMB 10-2:363 25 ALA HN 7.00 (# 363:10 Single Ambig)
&rst
ixpk= 363, nxpk= 10, iat= -1, 393, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1= 548, 549,1748,
&end
#
# 24 TRP HB- 25 ALA HN 5.50 (# 364:10 Unique 2.42, 3.36 A)
&rst
ixpk= 364, nxpk= 10, iat= -1, 393, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 373, 374,
&end
#
# 0 AMB 10-2:365 87 ARG HN 5.50 (# 365:10 Single Ambig)
&rst
ixpk= 365, nxpk= 10, iat= -1,1309, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1404,1405,1868,1869,1198,1199,
&end
#
# 0 AMB 10-2:366 87 ARG HN 2.80 (# 366:10 Single Ambig)
&rst
ixpk= 366, nxpk= 10, iat= -1,1309, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1305,1311,
&end
#
# 86 PRO HB- 87 ARG HN 4.50 (# 367:10 Unique 2.57, 3.50 A)
&rst
ixpk= 367, nxpk= 10, iat= -1,1309, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1302,1303,
&end
#
# 86 PRO HB+ 87 ARG HN 4.50 (# 368:10 Unique 2.57, 3.50 A)
&rst
ixpk= 368, nxpk= 10, iat= -1,1309, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1302,1303,
&end
#
# 105 LYS HG+ 105 LYS HN 2.80 (# 369:10 Unique 2.09, 2.93 A)
&rst
ixpk= 369, nxpk= 10, iat= -1,1597, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1604,1605,
&end
#
# 92 ILE QD1 87 ARG HN 4.50 (# 370:10 Unique 3.39, 4.81 A)
&rst
ixpk= 370, nxpk= 10, iat= -1,1309, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1407,1408,1409,
&end
#
# 104 MET HB- 105 LYS HN 3.50 (# 371:10 Unique 2.03, 3.30 A)
&rst
ixpk= 371, nxpk= 10, iat= -1,1597, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1584,1585,
&end
#
# 0 AMB 10-2:372 0 AMB 10-1:372 2.80 (# 372:10 Double Ambig)
&rst
ixpk= 372, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1584,1585,1313,1314,1316,1317,
igr2=1597,1309,
&end
#
# 18 ARG HG- 19 LEU HN 7.00 (# 373:10 Unique 2.32, 3.33 A)
&rst
ixpk= 373, nxpk= 10, iat= -1, 290, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 273, 274,
&end
#
# 19 LEU HB- 19 LEU HN 2.80 (# 374:10 Unique 2.30, 2.76 A)
&rst
ixpk= 374, nxpk= 10, iat= -1, 290, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 294, 295,
&end
#
# 0 AMB 10-2:375 19 LEU HN 2.80 (# 375:10 Single Ambig)
&rst
ixpk= 375, nxpk= 10, iat= -1, 290, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 297, 294, 295,
&end
#
# 18 ARG HB+ 19 LEU HN 3.50 (# 376:10 Unique 2.25, 3.59 A)
&rst
ixpk= 376, nxpk= 10, iat= -1, 290, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 270, 271,
&end
#
# 19 LEU HA 19 LEU HN 2.80 (# 377:10 Unique 2.81, 2.85 A)
&rst
ixpk= 377, nxpk= 10, iat= 292, 290, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:378 19 LEU HN 4.50 (# 378:10 Single Ambig)
&rst
ixpk= 378, nxpk= 10, iat= -1, 290, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 299, 300, 301, 303, 304, 305, 299, 300, 301, 303,
304, 305,
&end
#
# 0 AMB 10-2:379 12 ASP HN 4.50 (# 379:10 Single Ambig)
&rst
ixpk= 379, nxpk= 10, iat= -1, 162, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1145,1146,1147,1149,1150,1151,1407,1408,1409,
&end
#
# 11 GLY HN 12 ASP HN 2.80 (# 380:10 Unique 2.53, 2.71 A)
&rst
ixpk= 380, nxpk= 10, iat= 155, 162, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 12 ASP HA 12 ASP HN 2.80 (# 381:10 Unique 2.81, 2.84 A)
&rst
ixpk= 381, nxpk= 10, iat= 164, 162, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 11 GLY HA+ 12 ASP HN 3.50 (# 382:10 Unique 3.21, 3.36 A)
&rst
ixpk= 382, nxpk= 10, iat= -1, 162, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 157, 158,
&end
#
# 10 PRO HA 12 ASP HN 4.50 (# 383:10 Unique 3.44, 3.66 A)
&rst
ixpk= 383, nxpk= 10, iat= 151, 162, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 12 ASP HB- 12 ASP HN 2.80 (# 384:10 Unique 2.35, 2.99 A)
&rst
ixpk= 384, nxpk= 10, iat= -1, 162, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 166, 167,
&end
#
# 12 ASP HB+ 12 ASP HN 2.80 (# 385:10 Unique 2.35, 2.99 A)
&rst
ixpk= 385, nxpk= 10, iat= -1, 162, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 166, 167,
&end
#
# 27 TYR HB- 12 ASP HN 3.50 (# 387:10 Unique 2.97, 3.98 A)
&rst
ixpk= 387, nxpk= 10, iat= -1, 162, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 426, 427,
&end
#
# 0 AMB 10-2:388 12 ASP HN 4.50 (# 388:10 Single Ambig)
&rst
ixpk= 388, nxpk= 10, iat= -1, 162, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 412, 413, 414, 416, 417, 418, 112, 113,
&end
#
# 27 TYR HD 12 ASP HN 7.00 (# 389:10 Unique 3.53, 5.31 A)
&rst
ixpk= 389, nxpk= 10, iat= -1, 162, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 430, 439,
&end
#
# 0 AMB 10-2:390 12 ASP HN 7.00 (# 390:10 Single Ambig)
&rst
ixpk= 390, nxpk= 10, iat= -1, 162, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 206, 207, 208, 410,
&end
#
# 13 LEU HN 12 ASP HN 7.00 (# 391:10 Unique 4.58, 4.61 A)
&rst
ixpk= 391, nxpk= 10, iat= 174, 162, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 27 TYR HB+ 12 ASP HN 4.50 (# 392:10 Unique 2.97, 3.98 A)
&rst
ixpk= 392, nxpk= 10, iat= -1, 162, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 426, 427,
&end
#
# 0 AMB 10-2:395 73 CYS HN 2.80 (# 395:10 Single Ambig)
&rst
ixpk= 395, nxpk= 10, iat= -1,1083, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1074,1085,
&end
#
# 72 CYS HB- 73 CYS HN 2.80 (# 396:10 Unique 2.07, 3.26 A)
&rst
ixpk= 396, nxpk= 10, iat= -1,1083, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1076,1077,
&end
#
# 0 AMB 10-2:397 73 CYS HN 3.50 (# 397:10 Single Ambig)
&rst
ixpk= 397, nxpk= 10, iat= -1,1083, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1076,1077,1087,1088,
&end
#
# 102 GLN HA 103 LYS HN 2.80 (# 398:10 Unique 2.17, 2.29 A)
&rst
ixpk= 398, nxpk= 10, iat=1543,1558, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 102 GLN HG+ 103 LYS HN 4.50 (# 399:10 Unique 4.08, 4.56 A)
&rst
ixpk= 399, nxpk= 10, iat= -1,1558, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1548,1549,
&end
#
# 103 LYS HB- 103 LYS HN 2.80 (# 400:10 Unique 2.35, 3.08 A)
&rst
ixpk= 400, nxpk= 10, iat= -1,1558, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1562,1563,
&end
#
# 103 LYS HD+ 103 LYS HN 4.50 (# 401:10 Unique 2.64, 4.74 A)
&rst
ixpk= 401, nxpk= 10, iat= -1,1558, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1568,1569,
&end
#
# 0 AMB 10-2:402 103 LYS HN 3.50 (# 402:10 Single Ambig)
&rst
ixpk= 402, nxpk= 10, iat= -1,1558, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1568,1569,1565,1566,
&end
#
# 103 LYS HA 103 LYS HN 3.50 (# 403:10 Unique 2.97, 2.98 A)
&rst
ixpk= 403, nxpk= 10, iat=1560,1558, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 59 GLU HA 103 LYS HN 7.00 (# 404:10 Unique 4.65, 4.77 A)
&rst
ixpk= 404, nxpk= 10, iat= 866,1558, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 104 MET ME 103 LYS HN 5.50 (# 405:10 Unique 3.75, 6.34 A)
&rst
ixpk= 405, nxpk= 10, iat= -1,1558, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1591,1592,1593,
&end
#
# 103 LYS HG+ 103 LYS HN 3.50 (# 406:10 Unique 2.70, 3.55 A)
&rst
ixpk= 406, nxpk= 10, iat= -1,1558, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1565,1566,
&end
#
# 58 ALA MB 59 GLU HN 2.80 (# 407:10 Unique 2.55, 3.55 A)
&rst
ixpk= 407, nxpk= 10, iat= -1, 864, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 858, 859, 860,
&end
#
# 59 GLU HA 59 GLU HN 4.50 (# 408:10 Unique 2.96, 2.99 A)
&rst
ixpk= 408, nxpk= 10, iat= 866, 864, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:409 0 AMB 10-1:409 2.80 (# 409:10 Double Ambig)
&rst
ixpk= 409, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 856,1536,1537,
igr2= 864,1541,
&end
#
# 0 AMB 10-2:410 59 GLU HN 2.80 (# 410:10 Single Ambig)
&rst
ixpk= 410, nxpk= 10, iat= -1, 864, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 868, 869, 868, 869,
&end
#
# 0 AMB 10-2:412 0 AMB 10-1:412 4.50 (# 412:10 Double Ambig)
&rst
ixpk= 412, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 879, 854,1580,
igr2=1541, 864,
&end
#
# 0 AMB 10-2:413 0 AMB 10-1:413 5.50 (# 413:10 Double Ambig)
&rst
ixpk= 413, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 565, 566, 871, 872, 871, 872,
igr2= 864,1541,
&end
#
# 29 GLY HN 32 TYR HN 5.50 (# 414:10 Unique 3.80, 4.16 A)
&rst
ixpk= 414, nxpk= 10, iat= 462, 488, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 65 LEU HN 32 TYR HN 7.00 (# 415:10 Unique 4.48, 4.65 A)
&rst
ixpk= 415, nxpk= 10, iat= 980, 488, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 0 AMB 10-2:416 32 TYR HN 4.50 (# 416:10 Single Ambig)
&rst
ixpk= 416, nxpk= 10, iat= -1, 488, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 496, 505, 469,
&end
#
# 32 TYR HA 32 TYR HN 3.50 (# 418:10 Unique 2.94, 2.95 A)
&rst
ixpk= 418, nxpk= 10, iat= 490, 488, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 31 GLY HA+ 32 TYR HN 4.50 (# 419:10 Unique 3.16, 3.32 A)
&rst
ixpk= 419, nxpk= 10, iat= -1, 488, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 483, 484,
&end
#
# 0 AMB 10-2:420 32 TYR HN 3.50 (# 420:10 Single Ambig)
&rst
ixpk= 420, nxpk= 10, iat= -1, 488, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 483, 484, 958,
&end
#
# 30 ASP HB+ 32 TYR HN 5.50 (# 421:10 Unique 2.53, 4.00 A)
&rst
ixpk= 421, nxpk= 10, iat= -1, 488, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 473, 474,
&end
#
# 32 TYR HB- 32 TYR HN 2.80 (# 422:10 Unique 2.27, 2.97 A)
&rst
ixpk= 422, nxpk= 10, iat= -1, 488, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 492, 493,
&end
#
# 32 TYR HB+ 32 TYR HN 2.80 (# 423:10 Unique 2.27, 2.97 A)
&rst
ixpk= 423, nxpk= 10, iat= -1, 488, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 492, 493,
&end
#
# 28 ILE HG1+ 32 TYR HN 5.50 (# 424:10 Preassigned 3.53, 4.08 A)
&rst
ixpk= 424, nxpk= 10, iat= -1, 488, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 453, 454,
&end
#
# 0 AMB 10-2:425 32 TYR HN 5.50 (# 425:10 Single Ambig)
&rst
ixpk= 425, nxpk= 10, iat= -1, 488, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 515, 516, 517, 519, 520, 521, 449, 450, 451,
&end
#
# 33 VAL HN 32 TYR HN 5.50 (# 427:10 Unique 4.53, 4.60 A)
&rst
ixpk= 427, nxpk= 10, iat= 509, 488, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 28 ILE HG1- 32 TYR HN 4.50 (# 428:10 Preassigned 3.53, 4.08 A)
&rst
ixpk= 428, nxpk= 10, iat= -1, 488, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 453, 454,
&end
#
# 66 GLU HB- 68 VAL HN 5.50 (# 429:10 Unique 4.69, 5.34 A)
&rst
ixpk= 429, nxpk= 10, iat= -1,1026, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1003,1004,
&end
#
# 67 ASP HA 68 VAL HN 5.50 (# 430:10 Unique 3.53, 3.55 A)
&rst
ixpk= 430, nxpk= 10, iat=1016,1026, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 64 ARG HB+ 68 VAL HN 5.50 (# 431:10 Unique 3.97, 4.51 A)
&rst
ixpk= 431, nxpk= 10, iat= -1,1026, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 960, 961,
&end
#
# 103 LYS HA 104 MET HN 2.80 (# 432:10 Unique 2.21, 2.27 A)
&rst
ixpk= 432, nxpk= 10, iat=1560,1580, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:433 104 MET HN 3.50 (# 433:10 Single Ambig)
&rst
ixpk= 433, nxpk= 10, iat= -1,1580, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1562,1563,1584,1585,
&end
#
# 101 GLY HN 102 GLN HN 2.80 (# 435:10 Unique 2.66, 2.71 A)
&rst
ixpk= 435, nxpk= 10, iat=1534,1541, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:436 0 AMB 10-1:436 7.00 (# 436:10 Double Ambig)
&rst
ixpk= 436, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 582, 881, 614,
igr2= 864,1541,
&end
#
# 60 VAL HB 102 GLN HN 2.80 (# 437:10 Unique 2.71, 2.80 A)
&rst
ixpk= 437, nxpk= 10, iat= 883,1541, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 102 GLN HB- 102 GLN HN 2.80 (# 438:10 Unique 2.45, 3.07 A)
&rst
ixpk= 438, nxpk= 10, iat= -1,1541, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1545,1546,
&end
#
# 60 VAL MGX 102 GLN HN 4.50 (# 439:10 Unique 3.95, 4.87 A)
&rst
ixpk= 439, nxpk= 10, iat= -1,1541, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 885, 886, 887, 889, 890, 891,
&end
#
# 102 GLN HA 102 GLN HN 2.80 (# 440:10 Unique 2.89, 2.90 A)
&rst
ixpk= 440, nxpk= 10, iat=1543,1541, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 101 GLY HA+ 102 GLN HN 4.50 (# 441:10 Unique 3.20, 3.36 A)
&rst
ixpk= 441, nxpk= 10, iat= -1,1541, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1536,1537,
&end
#
# 100 VAL HA 102 GLN HN 3.50 (# 442:10 Unique 3.32, 3.44 A)
&rst
ixpk= 442, nxpk= 10, iat=1520,1541, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 102 GLN HG- 102 GLN HN 2.80 (# 443:10 Unique 2.43, 3.01 A)
&rst
ixpk= 443, nxpk= 10, iat= -1,1541, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1548,1549,
&end
#
# 60 VAL MGY 102 GLN HN 3.50 (# 444:10 Preassigned 3.95, 4.87 A)
&rst
ixpk= 444, nxpk= 10, iat= -1,1541, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 885, 886, 887, 889, 890, 891,
&end
#
# 69 VAL HN 68 VAL HN 2.80 (# 445:10 Unique 2.79, 2.83 A)
&rst
ixpk= 445, nxpk= 10, iat=1042,1026, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 67 ASP HN 68 VAL HN 2.80 (# 446:10 Unique 2.62, 2.74 A)
&rst
ixpk= 446, nxpk= 10, iat=1014,1026, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 66 GLU HA 68 VAL HN 7.00 (# 447:10 Unique 4.51, 4.64 A)
&rst
ixpk= 447, nxpk= 10, iat=1001,1026, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 68 VAL HA 68 VAL HN 2.80 (# 448:10 Unique 2.83, 2.85 A)
&rst
ixpk= 448, nxpk= 10, iat=1028,1026, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 67 ASP HB- 68 VAL HN 3.50 (# 449:10 Unique 2.47, 3.23 A)
&rst
ixpk= 449, nxpk= 10, iat= -1,1026, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1018,1019,
&end
#
# 69 VAL HB 68 VAL HN 7.00 (# 450:10 Unique 4.87, 5.86 A)
&rst
ixpk= 450, nxpk= 10, iat=1046,1026, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 68 VAL HB 68 VAL HN 2.80 (# 451:10 Unique 2.32, 2.43 A)
&rst
ixpk= 451, nxpk= 10, iat=1030,1026, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:452 68 VAL HN 5.50 (# 452:10 Single Ambig)
&rst
ixpk= 452, nxpk= 10, iat= -1,1026, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1048,1049,1050,1052,1053,1054, 989, 990, 991, 993,
994, 995,
&end
#
# 0 AMB 10-2:453 68 VAL HN 4.50 (# 453:10 Single Ambig)
&rst
ixpk= 453, nxpk= 10, iat= -1,1026, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
1037,1038,
&end
#
# 92 ILE HN 91 VAL HN 2.80 (# 455:10 Unique 2.54, 2.59 A)
&rst
ixpk= 455, nxpk= 10, iat=1394,1378, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 88 PRO HA 91 VAL HN 5.50 (# 456:10 Unique 4.53, 4.77 A)
&rst
ixpk= 456, nxpk= 10, iat=1343,1378, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 90 GLU HA 91 VAL HN 4.50 (# 457:10 Preassigned 3.53, 3.55 A)
&rst
ixpk= 457, nxpk= 10, iat=1365,1378, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 91 VAL HA 91 VAL HN 2.80 (# 458:10 Unique 2.88, 2.89 A)
&rst
ixpk= 458, nxpk= 10, iat=1380,1378, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 89 VAL HA 91 VAL HN 7.00 (# 459:10 Unique 3.94, 4.12 A)
&rst
ixpk= 459, nxpk= 10, iat=1349,1378, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 0 AMB 10-2:460 91 VAL HN 7.00 (# 460:10 Single Ambig)
&rst
ixpk= 460, nxpk= 10, iat= -1,1378, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1=1396, 157, 158,
&end
#
# 90 GLU HG+ 91 VAL HN 3.50 (# 461:10 Unique 2.18, 2.73 A)
&rst
ixpk= 461, nxpk= 10, iat= -1,1378, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1370,1371,
&end
#
# 0 AMB 10-2:462 91 VAL HN 2.80 (# 462:10 Single Ambig)
&rst
ixpk= 462, nxpk= 10, iat= -1,1378, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1382,1337,1338,
&end
#
# 90 GLU HB- 91 VAL HN 3.50 (# 463:10 Unique 3.75, 3.98 A)
&rst
ixpk= 463, nxpk= 10, iat= -1,1378, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1367,1368,
&end
#
# 88 PRO HB+ 91 VAL HN 3.50 (# 464:10 Unique 2.84, 4.02 A)
&rst
ixpk= 464, nxpk= 10, iat= -1,1378, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1340,1341,
&end
#
# 91 VAL MGX 91 VAL HN 2.80 (# 465:10 Unique 2.17, 3.89 A)
&rst
ixpk= 465, nxpk= 10, iat= -1,1378, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1384,1385,1386,1388,1389,1390,
&end
#
# 91 VAL MGY 91 VAL HN 3.50 (# 466:10 Unique 2.17, 3.89 A)
&rst
ixpk= 466, nxpk= 10, iat= -1,1378, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1384,1385,1386,1388,1389,1390,
&end
#
# 92 ILE QG2 91 VAL HN 7.00 (# 467:10 Unique 6.99, 7.11 A)
&rst
ixpk= 467, nxpk= 10, iat= -1,1378, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1=1400,1401,1402,
&end
#
# 90 GLU HN 91 VAL HN 2.80 (# 468:10 Unique 2.76, 2.81 A)
&rst
ixpk= 468, nxpk= 10, iat=1363,1378, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 88 PRO HB- 91 VAL HN 4.50 (# 469:10 Unique 2.84, 4.02 A)
&rst
ixpk= 469, nxpk= 10, iat= -1,1378, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1340,1341,
&end
#
# 0 AMB 10-2:470 13 LEU HN 7.00 (# 470:10 Single Ambig)
&rst
ixpk= 470, nxpk= 10, iat= -1, 174, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1173,1174,1874,1875,
&end
#
# 103 LYS HN 104 MET HN 7.00 (# 471:10 Unique 4.47, 4.55 A)
&rst
ixpk= 471, nxpk= 10, iat=1558,1580, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 59 GLU HA 104 MET HN 5.50 (# 472:10 Unique 3.14, 3.51 A)
&rst
ixpk= 472, nxpk= 10, iat= 866,1580, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 33 VAL HA 28 ILE HN 3.50 (# 473:10 Unique 2.63, 2.74 A)
&rst
ixpk= 473, nxpk= 10, iat= 511, 443, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 28 ILE HA 28 ILE HN 3.50 (# 475:10 Preassigned 3.00, 3.01 A)
&rst
ixpk= 475, nxpk= 10, iat= 445, 443, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 28 ILE QG2 28 ILE HN 3.50 (# 476:10 Preassigned 2.70, 3.58 A)
&rst
ixpk= 476, nxpk= 10, iat= -1, 443, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 449, 450, 451,
&end
#
# 28 ILE HG1- 28 ILE HN 2.80 (# 477:10 Unique 2.15, 2.71 A)
&rst
ixpk= 477, nxpk= 10, iat= -1, 443, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 453, 454,
&end
#
# 93 ILE HN 91 VAL HN 7.00 (# 478:10 Unique 4.15, 4.23 A)
&rst
ixpk= 478, nxpk= 10, iat=1413,1378, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 78 ASN HD2+ 13 LEU HN 5.50 (# 479:10 Unique 3.34, 4.23 A)
&rst
ixpk= 479, nxpk= 10, iat= -1, 174, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1178,1179,
&end
#
# 13 LEU HA 13 LEU HN 3.50 (# 480:10 Unique 2.96, 2.97 A)
&rst
ixpk= 480, nxpk= 10, iat= 176, 174, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 12 ASP HB- 13 LEU HN 5.50 (# 481:10 Unique 2.56, 3.43 A)
&rst
ixpk= 481, nxpk= 10, iat= -1, 174, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 166, 167,
&end
#
# 13 LEU HB- 13 LEU HN 2.80 (# 482:10 Unique 2.19, 3.00 A)
&rst
ixpk= 482, nxpk= 10, iat= -1, 174, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 178, 179,
&end
#
# 13 LEU HG 13 LEU HN 4.50 (# 483:10 Unique 2.56, 3.09 A)
&rst
ixpk= 483, nxpk= 10, iat= 181, 174, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 13 LEU HB+ 13 LEU HN 4.50 (# 484:10 Unique 2.19, 3.00 A)
&rst
ixpk= 484, nxpk= 10, iat= -1, 174, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 178, 179,
&end
#
# 0 AMB 10-2:485 0 AMB 10-1:485 4.50 (# 485:10 Double Ambig)
&rst
ixpk= 485, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 183, 184, 185, 187, 188, 189, 407, 408,
igr2= 174, 525,
&end
#
# 85 GLN HA 85 GLN HN 2.80 (# 487:10 Unique 2.84, 2.88 A)
&rst
ixpk= 487, nxpk= 10, iat=1280,1278, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 84 TYR HB- 85 GLN HN 2.80 (# 488:10 Unique 2.30, 2.95 A)
&rst
ixpk= 488, nxpk= 10, iat= -1,1278, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1261,1262,
&end
#
# 85 GLN HG+ 85 GLN HN 2.80 (# 489:10 Unique 2.24, 3.14 A)
&rst
ixpk= 489, nxpk= 10, iat= -1,1278, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1285,1286,
&end
#
# 85 GLN HB+ 85 GLN HN 2.80 (# 490:10 Unique 2.31, 2.98 A)
&rst
ixpk= 490, nxpk= 10, iat= -1,1278, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1282,1283,
&end
#
# 27 TYR HA 28 ILE HN 2.80 (# 491:10 Unique 2.13, 2.18 A)
&rst
ixpk= 491, nxpk= 10, iat= 424, 443, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 34 ILE QG2 34 ILE HN 4.50 (# 492:10 Unique 4.15, 4.58 A)
&rst
ixpk= 492, nxpk= 10, iat= -1, 525, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 531, 532, 533,
&end
#
# 33 VAL HA 34 ILE HN 2.80 (# 493:10 Unique 2.19, 2.24 A)
&rst
ixpk= 493, nxpk= 10, iat= 511, 525, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 33 VAL HB 34 ILE HN 2.80 (# 494:10 Unique 2.38, 2.55 A)
&rst
ixpk= 494, nxpk= 10, iat= 513, 525, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 34 ILE HB 34 ILE HN 2.80 (# 495:10 Unique 2.46, 2.51 A)
&rst
ixpk= 495, nxpk= 10, iat= 529, 525, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:496 34 ILE HN 3.50 (# 496:10 Single Ambig)
&rst
ixpk= 496, nxpk= 10, iat= -1, 525, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1= 535, 536, 397, 398, 399,
&end
#
# 0 AMB 10-2:497 34 ILE HN 3.50 (# 497:10 Single Ambig)
&rst
ixpk= 497, nxpk= 10, iat= -1, 525, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 449, 450, 451, 515, 516, 517, 519, 520, 521,
&end
#
# 28 ILE QD1 34 ILE HN 4.50 (# 498:10 Unique 4.79, 5.71 A)
&rst
ixpk= 498, nxpk= 10, iat= -1, 525, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 456, 457, 458,
&end
#
# 26 LEU HG 34 ILE HN 7.00 (# 499:10 Preassigned 5.37, 5.52 A)
&rst
ixpk= 499, nxpk= 10, iat= 410, 525, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 33 VAL MGY 34 ILE HN 4.50 (# 500:10 Unique 3.62, 4.53 A)
&rst
ixpk= 500, nxpk= 10, iat= -1, 525, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 515, 516, 517, 519, 520, 521,
&end
#
# 80 LEU HB+ 84 TYR HN 4.50 (# 501:10 Unique 3.58, 4.39 A)
&rst
ixpk= 501, nxpk= 10, iat= -1,1257, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1198,1199,
&end
#
# 84 TYR HE 84 TYR HN 4.50 (# 502:10 Unique 4.68, 5.23 A)
&rst
ixpk= 502, nxpk= 10, iat= -1,1257, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1267,1272,
&end
#
# 81 ASP HA 84 TYR HN 5.50 (# 503:10 Unique 3.72, 3.97 A)
&rst
ixpk= 503, nxpk= 10, iat=1215,1257, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:504 84 TYR HN 4.50 (# 504:10 Single Ambig)
&rst
ixpk= 504, nxpk= 10, iat= -1,1257, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1196,1227,
&end
#
# 84 TYR HB- 84 TYR HN 2.80 (# 505:10 Unique 2.70, 3.30 A)
&rst
ixpk= 505, nxpk= 10, iat= -1,1257, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1261,1262,
&end
#
# 84 TYR HB+ 84 TYR HN 2.80 (# 506:10 Unique 2.70, 3.30 A)
&rst
ixpk= 506, nxpk= 10, iat= -1,1257, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1261,1262,
&end
#
# 0 AMB 10-2:507 84 TYR HN 5.50 (# 507:10 Single Ambig)
&rst
ixpk= 507, nxpk= 10, iat= -1,1257, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1249,1250,1249,1250,
&end
#
# 83 GLU HN 84 TYR HN 2.80 (# 508:10 Unique 2.11, 2.22 A)
&rst
ixpk= 508, nxpk= 10, iat=1242,1257, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 83 GLU HA 84 TYR HN 3.50 (# 509:10 Unique 3.54, 3.56 A)
&rst
ixpk= 509, nxpk= 10, iat=1244,1257, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 83 GLU HB+ 84 TYR HN 2.80 (# 510:10 Unique 2.38, 2.98 A)
&rst
ixpk= 510, nxpk= 10, iat= -1,1257, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1246,1247,
&end
#
# 99 MET HB- 100 VAL HN 3.50 (# 511:10 Unique 2.76, 3.26 A)
&rst
ixpk= 511, nxpk= 10, iat= -1,1518, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1505,1506,
&end
#
# 101 GLY HN 100 VAL HN 7.00 (# 512:10 Unique 4.56, 4.58 A)
&rst
ixpk= 512, nxpk= 10, iat=1534,1518, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 98 GLU HN 100 VAL HN 5.50 (# 513:10 Unique 4.17, 4.34 A)
&rst
ixpk= 513, nxpk= 10, iat=1486,1518, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 100 VAL HA 100 VAL HN 2.80 (# 514:10 Unique 2.75, 2.79 A)
&rst
ixpk= 514, nxpk= 10, iat=1520,1518, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 100 VAL MGY 100 VAL HN 3.50 (# 515:10 Unique 2.16, 3.93 A)
&rst
ixpk= 515, nxpk= 10, iat= -1,1518, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1524,1525,1526,1528,1529,1530,
&end
#
# 60 VAL MGX 100 VAL HN 2.80 (# 516:10 Preassigned 3.07, 4.72 A)
&rst
ixpk= 516, nxpk= 10, iat= -1,1518, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 885, 886, 887, 889, 890, 891,
&end
#
# 74 TYR HE 74 TYR HN 5.50 (# 517:10 Unique 4.65, 5.47 A)
&rst
ixpk= 517, nxpk= 10, iat= -1,1094, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1104,1109,
&end
#
# 0 AMB 10-2:518 74 TYR HN 5.50 (# 518:10 Single Ambig)
&rst
ixpk= 518, nxpk= 10, iat= -1,1094, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1115,1083,
&end
#
# 74 TYR HD 74 TYR HN 3.50 (# 519:10 Unique 2.71, 3.95 A)
&rst
ixpk= 519, nxpk= 10, iat= -1,1094, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1102,1111,
&end
#
# 74 TYR HA 74 TYR HN 4.50 (# 520:10 Unique 2.89, 2.91 A)
&rst
ixpk= 520, nxpk= 10, iat=1096,1094, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 73 CYS HA 74 TYR HN 2.80 (# 521:10 Unique 2.33, 2.41 A)
&rst
ixpk= 521, nxpk= 10, iat=1085,1094, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 73 CYS HB+ 74 TYR HN 3.50 (# 522:10 Unique 2.46, 3.46 A)
&rst
ixpk= 522, nxpk= 10, iat= -1,1094, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1087,1088,
&end
#
# 0 AMB 10-2:525 115 HIS HN 3.50 (# 525:10 Single Ambig)
&rst
ixpk= 525, nxpk= 10, iat= -1,1761, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1763,1699,
&end
#
# 0 AMB 10-2:526 115 HIS HN 2.80 (# 526:10 Single Ambig)
&rst
ixpk= 526, nxpk= 10, iat= -1,1761, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1765,1766,1765,1766,
&end
#
# 114 GLU HB- 115 HIS HN 4.50 (# 527:10 Unique 2.23, 3.32 A)
&rst
ixpk= 527, nxpk= 10, iat= -1,1761, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1750,1751,
&end
#
# 117 VAL MGY 115 HIS HN 5.50 (# 528:10 Unique 5.04, 6.72 A)
&rst
ixpk= 528, nxpk= 10, iat= -1,1761, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1804,1805,1806,1808,1809,1810,
&end
#
# 114 GLU HG+ 115 HIS HN 5.50 (# 529:10 Unique 2.09, 3.88 A)
&rst
ixpk= 529, nxpk= 10, iat= -1,1761, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1753,1754,
&end
#
# 0 AMB 10-2:531 83 GLU HN 5.50 (# 531:10 Single Ambig)
&rst
ixpk= 531, nxpk= 10, iat= -1,1242, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1203,1204,1205,1207,1208,1209,1203,1204,1205,1207,
1208,1209,
&end
#
# 84 TYR HN 83 GLU HN 2.80 (# 532:10 Unique 2.11, 2.22 A)
&rst
ixpk= 532, nxpk= 10, iat=1257,1242, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:534 83 GLU HN 3.50 (# 534:10 Single Ambig)
&rst
ixpk= 534, nxpk= 10, iat= -1,1242, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1196,1227,
&end
#
# 82 HIS HB+ 83 GLU HN 4.50 (# 535:10 Unique 3.26, 4.06 A)
&rst
ixpk= 535, nxpk= 10, iat= -1,1242, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1229,1230,
&end
#
# 0 AMB 10-2:536 83 GLU HN 2.80 (# 536:10 Single Ambig)
&rst
ixpk= 536, nxpk= 10, iat= -1,1242, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1249,1250,1249,1250,
&end
#
# 84 TYR HB- 83 GLU HN 7.00 (# 537:10 Unique 4.64, 5.46 A)
&rst
ixpk= 537, nxpk= 10, iat= -1,1242, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1261,1262,
&end
#
# 96 ALA MB 100 VAL HN 7.00 (# 538:10 Unique 5.01, 5.75 A)
&rst
ixpk= 538, nxpk= 10, iat= -1,1518, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1=1458,1459,1460,
&end
#
# 99 MET HN 100 VAL HN 2.80 (# 539:10 Unique 2.73, 2.76 A)
&rst
ixpk= 539, nxpk= 10, iat=1501,1518, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 99 MET HA 100 VAL HN 4.50 (# 540:10 Unique 3.51, 3.58 A)
&rst
ixpk= 540, nxpk= 10, iat=1503,1518, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 97 LYS HA 100 VAL HN 4.50 (# 541:10 Unique 3.35, 3.43 A)
&rst
ixpk= 541, nxpk= 10, iat=1466,1518, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 100 VAL HB 100 VAL HN 2.80 (# 542:10 Unique 2.28, 2.59 A)
&rst
ixpk= 542, nxpk= 10, iat=1522,1518, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:543 100 VAL HN 5.50 (# 543:10 Single Ambig)
&rst
ixpk= 543, nxpk= 10, iat= -1,1518, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1468,1469,1468,1469,
&end
#
# 100 VAL MGX 100 VAL HN 3.50 (# 544:10 Unique 2.16, 3.93 A)
&rst
ixpk= 544, nxpk= 10, iat= -1,1518, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1524,1525,1526,1528,1529,1530,
&end
#
# 98 GLU HA 100 VAL HN 7.00 (# 545:10 Unique 4.20, 4.62 A)
&rst
ixpk= 545, nxpk= 10, iat=1488,1518, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 70 GLY HA- 72 CYS HN 5.50 (# 546:10 Unique 3.33, 4.02 A)
&rst
ixpk= 546, nxpk= 10, iat= -1,1072, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1060,1061,
&end
#
# 70 GLY HA+ 72 CYS HN 7.00 (# 547:10 Unique 3.33, 4.02 A)
&rst
ixpk= 547, nxpk= 10, iat= -1,1072, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1060,1061,
&end
#
# 73 CYS HN 72 CYS HN 7.00 (# 548:10 Unique 4.34, 4.60 A)
&rst
ixpk= 548, nxpk= 10, iat=1083,1072, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 72 CYS HA 72 CYS HN 3.50 (# 550:10 Unique 2.89, 2.95 A)
&rst
ixpk= 550, nxpk= 10, iat=1074,1072, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 72 CYS HB- 72 CYS HN 3.50 (# 552:10 Unique 2.47, 3.11 A)
&rst
ixpk= 552, nxpk= 10, iat= -1,1072, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1076,1077,
&end
#
# 72 CYS HB+ 72 CYS HN 2.80 (# 553:10 Unique 2.47, 3.11 A)
&rst
ixpk= 553, nxpk= 10, iat= -1,1072, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1076,1077,
&end
#
# 16 ILE QG2 72 CYS HN 5.50 (# 554:10 Unique 4.89, 5.52 A)
&rst
ixpk= 554, nxpk= 10, iat= -1,1072, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 233, 234, 235,
&end
#
# 69 VAL MGY 72 CYS HN 4.50 (# 555:10 Unique 3.36, 5.55 A)
&rst
ixpk= 555, nxpk= 10, iat= -1,1072, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1048,1049,1050,1052,1053,1054,
&end
#
# 69 VAL MGX 72 CYS HN 7.00 (# 556:10 Unique 3.36, 5.55 A)
&rst
ixpk= 556, nxpk= 10, iat= -1,1072, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1=1048,1049,1050,1052,1053,1054,
&end
#
# 84 TYR HE 83 GLU HN 5.50 (# 557:10 Unique 5.30, 6.32 A)
&rst
ixpk= 557, nxpk= 10, iat= -1,1242, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1267,1272,
&end
#
# 83 GLU HA 83 GLU HN 3.50 (# 558:10 Unique 2.96, 2.98 A)
&rst
ixpk= 558, nxpk= 10, iat=1244,1242, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 84 TYR HB+ 83 GLU HN 7.00 (# 559:10 Unique 4.64, 5.46 A)
&rst
ixpk= 559, nxpk= 10, iat= -1,1242, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1261,1262,
&end
#
# 83 GLU HB+ 83 GLU HN 2.80 (# 560:10 Unique 2.44, 3.10 A)
&rst
ixpk= 560, nxpk= 10, iat= -1,1242, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1246,1247,
&end
#
# 66 GLU HN 67 ASP HN 3.50 (# 563:10 Unique 2.91, 2.97 A)
&rst
ixpk= 563, nxpk= 10, iat= 999,1014, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 68 VAL HN 67 ASP HN 2.80 (# 564:10 Unique 2.62, 2.74 A)
&rst
ixpk= 564, nxpk= 10, iat=1026,1014, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 67 ASP HA 67 ASP HN 2.80 (# 565:10 Unique 2.79, 2.82 A)
&rst
ixpk= 565, nxpk= 10, iat=1016,1014, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:566 67 ASP HN 5.50 (# 566:10 Single Ambig)
&rst
ixpk= 566, nxpk= 10, iat= -1,1014, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 982,1028,
&end
#
# 67 ASP HB+ 67 ASP HN 2.80 (# 567:10 Unique 2.19, 2.63 A)
&rst
ixpk= 567, nxpk= 10, iat= -1,1014, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1018,1019,
&end
#
# 0 AMB 10-2:568 67 ASP HN 3.50 (# 568:10 Single Ambig)
&rst
ixpk= 568, nxpk= 10, iat= -1,1014, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1006,1007, 948, 949, 945, 946,
&end
#
# 66 GLU HB- 67 ASP HN 2.80 (# 569:10 Unique 2.06, 2.99 A)
&rst
ixpk= 569, nxpk= 10, iat= -1,1014, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1003,1004,
&end
#
# 64 ARG HB+ 67 ASP HN 2.80 (# 570:10 Unique 2.32, 2.92 A)
&rst
ixpk= 570, nxpk= 10, iat= -1,1014, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 960, 961,
&end
#
# 68 VAL HB 67 ASP HN 7.00 (# 571:10 Unique 4.69, 4.85 A)
&rst
ixpk= 571, nxpk= 10, iat=1030,1014, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 68 VAL MGY 67 ASP HN 4.50 (# 572:10 Preassigned 4.48, 6.42 A)
&rst
ixpk= 572, nxpk= 10, iat= -1,1014, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1032,1033,1034,1036,1037,1038,
&end
#
# 69 VAL HN 67 ASP HN 7.00 (# 573:10 Unique 4.20, 4.38 A)
&rst
ixpk= 573, nxpk= 10, iat=1042,1014, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 120 LEU MDX 95 SER HN 5.50 (# 576:10 Unique 5.06, 6.78 A)
&rst
ixpk= 576, nxpk= 10, iat= -1,1443, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1854,1855,1856,1858,1859,1860,
&end
#
# 78 ASN HA 79 SER HN 2.80 (# 578:10 Unique 2.27, 2.55 A)
&rst
ixpk= 578, nxpk= 10, iat=1171,1183, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 79 SER HA 79 SER HN 2.80 (# 579:10 Unique 2.79, 2.83 A)
&rst
ixpk= 579, nxpk= 10, iat=1185,1183, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 13 LEU MDY 79 SER HN 3.50 (# 580:10 Unique 2.38, 5.60 A)
&rst
ixpk= 580, nxpk= 10, iat= -1,1183, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 183, 184, 185, 187, 188, 189,
&end
#
# 77 ASN HA 79 SER HN 5.50 (# 581:10 Unique 3.98, 4.32 A)
&rst
ixpk= 581, nxpk= 10, iat=1157,1183, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 124 LYS HG- 124 LYS HN 5.50 (# 582:10 Unique 2.03, 2.97 A)
&rst
ixpk= 582, nxpk= 10, iat= -1,1916, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1923,1924,
&end
#
# 123 GLY HN 124 LYS HN 4.50 (# 583:10 Unique 2.62, 2.92 A)
&rst
ixpk= 583, nxpk= 10, iat=1909,1916, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 124 LYS HA 124 LYS HN 2.80 (# 584:10 Unique 2.28, 2.78 A)
&rst
ixpk= 584, nxpk= 10, iat=1918,1916, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 123 GLY HA- 124 LYS HN 4.50 (# 585:10 Unique 2.70, 3.26 A)
&rst
ixpk= 585, nxpk= 10, iat= -1,1916, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1911,1912,
&end
#
# 123 GLY HA+ 124 LYS HN 3.50 (# 587:10 Unique 2.70, 3.26 A)
&rst
ixpk= 587, nxpk= 10, iat= -1,1916, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1911,1912,
&end
#
# 122 TYR HB- 124 LYS HN 5.50 (# 588:10 Preassigned 5.03, 5.52 A)
&rst
ixpk= 588, nxpk= 10, iat= -1,1916, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1892,1893,
&end
#
# 0 AMB 10-2:589 124 LYS HN 4.50 (# 589:10 Single Ambig)
&rst
ixpk= 589, nxpk= 10, iat= -1,1916, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1929,1930,1929,1930,1892,1893,
&end
#
# 124 LYS HB- 124 LYS HN 4.50 (# 590:10 Unique 2.35, 3.02 A)
&rst
ixpk= 590, nxpk= 10, iat= -1,1916, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1920,1921,
&end
#
# 124 LYS HB+ 124 LYS HN 3.50 (# 591:10 Unique 2.35, 3.02 A)
&rst
ixpk= 591, nxpk= 10, iat= -1,1916, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1920,1921,
&end
#
# 124 LYS HG+ 124 LYS HN 5.50 (# 592:10 Unique 2.03, 2.97 A)
&rst
ixpk= 592, nxpk= 10, iat= -1,1916, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1923,1924,
&end
#
# 92 ILE QG2 120 LEU HN 5.50 (# 593:10 Preassigned 5.07, 6.18 A)
&rst
ixpk= 593, nxpk= 10, iat= -1,1845, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1400,1401,1402,
&end
#
# 94 SER HN 95 SER HN 2.80 (# 594:10 Unique 2.74, 2.80 A)
&rst
ixpk= 594, nxpk= 10, iat=1432,1443, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 95 SER HA 95 SER HN 2.80 (# 595:10 Unique 2.83, 2.86 A)
&rst
ixpk= 595, nxpk= 10, iat=1445,1443, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 94 SER HA 95 SER HN 3.50 (# 596:10 Unique 3.53, 3.55 A)
&rst
ixpk= 596, nxpk= 10, iat=1434,1443, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:597 95 SER HN 2.80 (# 597:10 Single Ambig)
&rst
ixpk= 597, nxpk= 10, iat= -1,1443, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1447,1448,1436,1437,
&end
#
# 95 SER HB- 95 SER HN 2.80 (# 598:10 Unique 2.25, 2.82 A)
&rst
ixpk= 598, nxpk= 10, iat= -1,1443, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1447,1448,
&end
#
# 0 AMB 10-2:599 95 SER HN 7.00 (# 599:10 Single Ambig)
&rst
ixpk= 599, nxpk= 10, iat= -1,1443, r1= 0.00, r2= 1.80, r3= 9.15, r4= 9.90,
igr1=1468,1469,1468,1469,1417,
&end
#
# 96 ALA MB 95 SER HN 4.50 (# 600:10 Unique 4.83, 5.38 A)
&rst
ixpk= 600, nxpk= 10, iat= -1,1443, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1458,1459,1460,
&end
#
# 0 AMB 10-2:601 95 SER HN 5.50 (# 601:10 Single Ambig)
&rst
ixpk= 601, nxpk= 10, iat= -1,1443, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1384,1385,1386,1388,1389,1390,1419,1420,1421,
&end
#
# 78 ASN HN 79 SER HN 4.50 (# 602:10 Unique 3.50, 3.75 A)
&rst
ixpk= 602, nxpk= 10, iat=1169,1183, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:603 79 SER HN 2.80 (# 603:10 Single Ambig)
&rst
ixpk= 603, nxpk= 10, iat= -1,1183, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1187,1188,1187,1188,
&end
#
# 0 AMB 10-2:606 120 LEU HN 5.50 (# 606:10 Single Ambig)
&rst
ixpk= 606, nxpk= 10, iat= -1,1845, r1= 0.00, r2= 1.80, r3= 8.20, r4= 8.95,
igr1=1868,1869,1820,1821,1822,1804,1805,1806,1808,1809,
1810,
&end
#
# 120 LEU HB+ 120 LEU HN 2.80 (# 607:10 Unique 2.49, 3.10 A)
&rst
ixpk= 607, nxpk= 10, iat= -1,1845, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1849,1850,
&end
#
# 119 GLN HN 120 LEU HN 2.80 (# 608:10 Unique 2.78, 2.86 A)
&rst
ixpk= 608, nxpk= 10, iat=1828,1845, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 121 ARG HN 120 LEU HN 3.50 (# 609:10 Unique 2.67, 2.76 A)
&rst
ixpk= 609, nxpk= 10, iat=1864,1845, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:610 120 LEU HN 3.50 (# 610:10 Single Ambig)
&rst
ixpk= 610, nxpk= 10, iat= -1,1845, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1847,1800,
&end
#
# 0 AMB 10-2:611 120 LEU HN 7.00 (# 611:10 Single Ambig)
&rst
ixpk= 611, nxpk= 10, iat= -1,1845, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1=1835,1836,1802,
&end
#
# 119 GLN HG+ 120 LEU HN 7.00 (# 612:10 Unique 4.44, 5.05 A)
&rst
ixpk= 612, nxpk= 10, iat= -1,1845, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1835,1836,
&end
#
# 119 GLN HB- 120 LEU HN 4.50 (# 613:10 Unique 2.93, 3.47 A)
&rst
ixpk= 613, nxpk= 10, iat= -1,1845, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1832,1833,
&end
#
# 119 GLN HB+ 120 LEU HN 3.50 (# 614:10 Preassigned 2.93, 3.47 A)
&rst
ixpk= 614, nxpk= 10, iat= -1,1845, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1832,1833,
&end
#
# 120 LEU HB- 120 LEU HN 2.80 (# 615:10 Unique 2.49, 3.10 A)
&rst
ixpk= 615, nxpk= 10, iat= -1,1845, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1849,1850,
&end
#
# 120 LEU HG 120 LEU HN 3.50 (# 616:10 Preassigned 2.05, 2.25 A)
&rst
ixpk= 616, nxpk= 10, iat=1852,1845, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 13 LEU MDX 120 LEU HN 7.00 (# 617:10 Unique 4.93, 6.77 A)
&rst
ixpk= 617, nxpk= 10, iat= -1,1845, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 183, 184, 185, 187, 188, 189,
&end
#
# 120 LEU MDX 120 LEU HN 3.50 (# 618:10 Unique 3.32, 4.30 A)
&rst
ixpk= 618, nxpk= 10, iat= -1,1845, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1854,1855,1856,1858,1859,1860,
&end
#
# 120 LEU MDY 120 LEU HN 3.50 (# 619:10 Unique 3.32, 4.30 A)
&rst
ixpk= 619, nxpk= 10, iat= -1,1845, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1854,1855,1856,1858,1859,1860,
&end
#
# 119 GLN HN 118 THR HN 3.50 (# 620:10 Unique 2.58, 2.67 A)
&rst
ixpk= 620, nxpk= 10, iat=1828,1814, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 117 VAL HN 118 THR HN 3.50 (# 621:10 Unique 2.45, 2.75 A)
&rst
ixpk= 621, nxpk= 10, iat=1798,1814, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 118 THR HB 118 THR HN 4.50 (# 623:10 Unique 2.23, 3.24 A)
&rst
ixpk= 623, nxpk= 10, iat=1818,1814, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 117 VAL HA 118 THR HN 7.00 (# 624:10 Unique 3.47, 3.54 A)
&rst
ixpk= 624, nxpk= 10, iat=1800,1814, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 117 VAL MGY 118 THR HN 2.80 (# 625:10 Unique 2.61, 4.33 A)
&rst
ixpk= 625, nxpk= 10, iat= -1,1814, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1804,1805,1806,1808,1809,1810,
&end
#
# 0 AMB 10-2:626 118 THR HN 3.50 (# 626:10 Single Ambig)
&rst
ixpk= 626, nxpk= 10, iat= -1,1814, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1820,1821,1822,1804,1805,1806,1808,1809,1810,
&end
#
# 88 PRO HG+ 90 GLU HN 5.50 (# 629:10 Unique 5.00, 5.70 A)
&rst
ixpk= 629, nxpk= 10, iat= -1,1363, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1337,1338,
&end
#
# 118 THR HA 118 THR HN 4.50 (# 630:10 Unique 2.82, 2.89 A)
&rst
ixpk= 630, nxpk= 10, iat=1816,1814, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 122 TYR HN 121 ARG HN 2.80 (# 632:10 Unique 2.35, 2.44 A)
&rst
ixpk= 632, nxpk= 10, iat=1888,1864, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 120 LEU HN 121 ARG HN 2.80 (# 633:10 Unique 2.67, 2.76 A)
&rst
ixpk= 633, nxpk= 10, iat=1845,1864, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 118 THR HA 121 ARG HN 5.50 (# 634:10 Unique 3.39, 3.69 A)
&rst
ixpk= 634, nxpk= 10, iat=1816,1864, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 120 LEU HB- 121 ARG HN 4.50 (# 635:10 Unique 2.76, 3.38 A)
&rst
ixpk= 635, nxpk= 10, iat= -1,1864, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1849,1850,
&end
#
# 13 LEU MDX 121 ARG HN 4.50 (# 636:10 Unique 4.38, 5.97 A)
&rst
ixpk= 636, nxpk= 10, iat= -1,1864, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 183, 184, 185, 187, 188, 189,
&end
#
# 120 LEU MDY 121 ARG HN 5.50 (# 637:10 Unique 5.06, 5.84 A)
&rst
ixpk= 637, nxpk= 10, iat= -1,1864, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1854,1855,1856,1858,1859,1860,
&end
#
# 121 ARG HB+ 121 ARG HN 2.80 (# 638:10 Unique 2.42, 2.64 A)
&rst
ixpk= 638, nxpk= 10, iat= -1,1864, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1868,1869,
&end
#
# 120 LEU HB+ 121 ARG HN 4.50 (# 639:10 Unique 2.76, 3.38 A)
&rst
ixpk= 639, nxpk= 10, iat= -1,1864, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1849,1850,
&end
#
# 92 ILE QG2 121 ARG HN 4.50 (# 640:10 Preassigned 3.55, 4.74 A)
&rst
ixpk= 640, nxpk= 10, iat= -1,1864, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1400,1401,1402,
&end
#
# 0 AMB 10-2:641 121 ARG HN 7.00 (# 641:10 Single Ambig)
&rst
ixpk= 641, nxpk= 10, iat= -1,1864, r1= 0.00, r2= 1.80, r3= 9.68, r4=10.43,
igr1=1854,1855,1856,1858,1859,1860, 410,
&end
#
# 89 VAL HN 90 GLU HN 3.50 (# 642:10 Unique 2.87, 3.02 A)
&rst
ixpk= 642, nxpk= 10, iat=1347,1363, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 93 ILE HN 90 GLU HN 7.00 (# 643:10 Unique 4.87, 4.91 A)
&rst
ixpk= 643, nxpk= 10, iat=1413,1363, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 92 ILE HN 90 GLU HN 7.00 (# 644:10 Unique 4.24, 4.29 A)
&rst
ixpk= 644, nxpk= 10, iat=1394,1363, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 91 VAL HN 90 GLU HN 3.50 (# 645:10 Unique 2.76, 2.81 A)
&rst
ixpk= 645, nxpk= 10, iat=1378,1363, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 88 PRO HA 90 GLU HN 7.00 (# 647:10 Unique 3.93, 4.15 A)
&rst
ixpk= 647, nxpk= 10, iat=1343,1363, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 90 GLU HA 90 GLU HN 2.80 (# 648:10 Unique 2.82, 2.82 A)
&rst
ixpk= 648, nxpk= 10, iat=1365,1363, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 89 VAL HA 90 GLU HN 5.50 (# 649:10 Unique 3.52, 3.56 A)
&rst
ixpk= 649, nxpk= 10, iat=1349,1363, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 90 GLU HG+ 90 GLU HN 2.80 (# 650:10 Unique 2.23, 2.94 A)
&rst
ixpk= 650, nxpk= 10, iat= -1,1363, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1370,1371,
&end
#
# 90 GLU HB- 90 GLU HN 2.80 (# 651:10 Unique 2.50, 3.09 A)
&rst
ixpk= 651, nxpk= 10, iat= -1,1363, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1367,1368,
&end
#
# 88 PRO HB+ 90 GLU HN 4.50 (# 652:10 Unique 3.53, 4.32 A)
&rst
ixpk= 652, nxpk= 10, iat= -1,1363, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1340,1341,
&end
#
# 89 VAL MGX 90 GLU HN 4.50 (# 653:10 Unique 2.46, 4.33 A)
&rst
ixpk= 653, nxpk= 10, iat= -1,1363, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1353,1354,1355,1357,1358,1359,
&end
#
# 89 VAL MGY 90 GLU HN 4.50 (# 654:10 Unique 2.46, 4.33 A)
&rst
ixpk= 654, nxpk= 10, iat= -1,1363, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1353,1354,1355,1357,1358,1359,
&end
#
# 88 PRO HB- 90 GLU HN 5.50 (# 655:10 Unique 3.53, 4.32 A)
&rst
ixpk= 655, nxpk= 10, iat= -1,1363, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1340,1341,
&end
#
# 70 GLY HA- 69 VAL HN 7.00 (# 656:10 Unique 4.87, 5.03 A)
&rst
ixpk= 656, nxpk= 10, iat= -1,1042, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1060,1061,
&end
#
# 66 GLU HA 69 VAL HN 5.50 (# 657:10 Unique 3.64, 3.77 A)
&rst
ixpk= 657, nxpk= 10, iat=1001,1042, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 68 VAL HA 69 VAL HN 4.50 (# 658:10 Unique 3.57, 3.63 A)
&rst
ixpk= 658, nxpk= 10, iat=1028,1042, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 69 VAL HA 69 VAL HN 3.50 (# 659:10 Unique 2.85, 2.87 A)
&rst
ixpk= 659, nxpk= 10, iat=1044,1042, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 69 VAL HB 69 VAL HN 3.50 (# 660:10 Unique 2.36, 3.14 A)
&rst
ixpk= 660, nxpk= 10, iat=1046,1042, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 64 ARG HB- 69 VAL HN 7.00 (# 661:10 Unique 6.26, 6.67 A)
&rst
ixpk= 661, nxpk= 10, iat= -1,1042, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 960, 961,
&end
#
# 68 VAL HB 69 VAL HN 2.80 (# 662:10 Unique 2.65, 2.78 A)
&rst
ixpk= 662, nxpk= 10, iat=1030,1042, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 69 VAL MGX 69 VAL HN 2.80 (# 663:10 Preassigned 2.20, 3.47 A)
&rst
ixpk= 663, nxpk= 10, iat= -1,1042, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1048,1049,1050,1052,1053,1054,
&end
#
# 0 AMB 10-2:664 69 VAL HN 2.80 (# 664:10 Single Ambig)
&rst
ixpk= 664, nxpk= 10, iat= -1,1042, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1058,1026,
&end
#
# 116 PHE HB- 116 PHE HN 2.80 (# 665:10 Unique 2.20, 2.52 A)
&rst
ixpk= 665, nxpk= 10, iat= -1,1778, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1782,1783,
&end
#
# 116 PHE HD 116 PHE HN 5.50 (# 666:10 Unique 4.27, 4.66 A)
&rst
ixpk= 666, nxpk= 10, iat= -1,1778, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1786,1794,
&end
#
# 116 PHE HA 116 PHE HN 2.80 (# 667:10 Unique 2.80, 2.84 A)
&rst
ixpk= 667, nxpk= 10, iat=1780,1778, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 116 PHE HB+ 116 PHE HN 2.80 (# 668:10 Unique 2.20, 2.52 A)
&rst
ixpk= 668, nxpk= 10, iat= -1,1778, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1782,1783,
&end
#
# 36 LEU MDY 116 PHE HN 7.00 (# 669:10 Unique 4.00, 6.34 A)
&rst
ixpk= 669, nxpk= 10, iat= -1,1778, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 570, 571, 572, 574, 575, 576,
&end
#
# 121 ARG HA 121 ARG HN 3.50 (# 670:10 Unique 2.95, 2.98 A)
&rst
ixpk= 670, nxpk= 10, iat=1866,1864, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 121 ARG HB- 121 ARG HN 2.80 (# 671:10 Unique 2.42, 2.64 A)
&rst
ixpk= 671, nxpk= 10, iat= -1,1864, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1868,1869,
&end
#
# 97 LYS HA 98 GLU HN 3.50 (# 673:10 Preassigned 3.53, 3.57 A)
&rst
ixpk= 673, nxpk= 10, iat=1466,1486, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:674 98 GLU HN 7.00 (# 674:10 Single Ambig)
&rst
ixpk= 674, nxpk= 10, iat= -1,1486, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1471,1472, 535, 536,
&end
#
# 100 VAL MGX 98 GLU HN 7.00 (# 675:10 Unique 4.86, 7.15 A)
&rst
ixpk= 675, nxpk= 10, iat= -1,1486, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1=1524,1525,1526,1528,1529,1530,
&end
#
# 34 ILE QD1 98 GLU HN 7.00 (# 676:10 Unique 5.29, 5.92 A)
&rst
ixpk= 676, nxpk= 10, iat= -1,1486, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1= 538, 539, 540,
&end
#
# 97 LYS HN 98 GLU HN 2.80 (# 677:10 Unique 2.81, 2.82 A)
&rst
ixpk= 677, nxpk= 10, iat=1464,1486, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 96 ALA HN 98 GLU HN 4.50 (# 678:10 Unique 4.15, 4.27 A)
&rst
ixpk= 678, nxpk= 10, iat=1454,1486, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 100 VAL HN 98 GLU HN 5.50 (# 679:10 Unique 4.17, 4.34 A)
&rst
ixpk= 679, nxpk= 10, iat=1518,1486, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 98 GLU HA 98 GLU HN 2.80 (# 680:10 Unique 2.84, 2.86 A)
&rst
ixpk= 680, nxpk= 10, iat=1488,1486, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 98 GLU HG- 98 GLU HN 2.80 (# 681:10 Unique 2.57, 3.19 A)
&rst
ixpk= 681, nxpk= 10, iat= -1,1486, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1493,1494,
&end
#
# 98 GLU HG+ 98 GLU HN 2.80 (# 682:10 Unique 2.57, 3.19 A)
&rst
ixpk= 682, nxpk= 10, iat= -1,1486, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1493,1494,
&end
#
# 0 AMB 10-2:684 98 GLU HN 2.80 (# 684:10 Single Ambig)
&rst
ixpk= 684, nxpk= 10, iat= -1,1486, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1490,1491,1490,1491,
&end
#
# 0 AMB 10-2:685 98 GLU HN 2.80 (# 685:10 Single Ambig)
&rst
ixpk= 685, nxpk= 10, iat= -1,1486, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1468,1469,1468,1469,
&end
#
# 99 MET HG+ 98 GLU HN 7.00 (# 686:10 Unique 4.41, 5.27 A)
&rst
ixpk= 686, nxpk= 10, iat= -1,1486, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1508,1509,
&end
#
# 96 ALA MB 98 GLU HN 5.50 (# 687:10 Unique 5.02, 5.61 A)
&rst
ixpk= 687, nxpk= 10, iat= -1,1486, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1458,1459,1460,
&end
#
# 102 GLN HN 101 GLY HN 2.80 (# 688:10 Unique 2.66, 2.71 A)
&rst
ixpk= 688, nxpk= 10, iat=1541,1534, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 101 GLY HA- 101 GLY HN 2.80 (# 689:10 Unique 2.35, 2.67 A)
&rst
ixpk= 689, nxpk= 10, iat= -1,1534, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1536,1537,
&end
#
# 100 VAL HA 101 GLY HN 2.80 (# 690:10 Unique 2.06, 2.08 A)
&rst
ixpk= 690, nxpk= 10, iat=1520,1534, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 60 VAL HB 101 GLY HN 2.80 (# 691:10 Unique 2.71, 2.81 A)
&rst
ixpk= 691, nxpk= 10, iat= 883,1534, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:692 101 GLY HN 4.50 (# 692:10 Single Ambig)
&rst
ixpk= 692, nxpk= 10, iat= -1,1534, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1522,1545,1546,
&end
#
# 100 VAL MGY 101 GLY HN 3.50 (# 693:10 Unique 2.56, 4.07 A)
&rst
ixpk= 693, nxpk= 10, iat= -1,1534, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1524,1525,1526,1528,1529,1530,
&end
#
# 60 VAL MGX 101 GLY HN 3.50 (# 694:10 Preassigned 3.70, 4.93 A)
&rst
ixpk= 694, nxpk= 10, iat= -1,1534, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 885, 886, 887, 889, 890, 891,
&end
#
# 100 VAL MGX 101 GLY HN 3.50 (# 695:10 Unique 2.56, 4.07 A)
&rst
ixpk= 695, nxpk= 10, iat= -1,1534, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1524,1525,1526,1528,1529,1530,
&end
#
# 0 AMB 10-2:696 69 VAL HN 7.00 (# 696:10 Single Ambig)
&rst
ixpk= 696, nxpk= 10, iat= -1,1042, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1=1014,1102,1111,
&end
#
# 69 VAL MGY 69 VAL HN 2.80 (# 697:10 Unique 2.20, 3.47 A)
&rst
ixpk= 697, nxpk= 10, iat= -1,1042, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1048,1049,1050,1052,1053,1054,
&end
#
# 36 LEU HB+ 116 PHE HN 7.00 (# 698:10 Unique 4.77, 5.98 A)
&rst
ixpk= 698, nxpk= 10, iat= -1,1778, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 565, 566,
&end
#
# 117 VAL HN 116 PHE HN 3.50 (# 699:10 Unique 2.48, 2.93 A)
&rst
ixpk= 699, nxpk= 10, iat=1798,1778, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 21 TYR HB- 22 GLU HN 3.50 (# 700:10 Unique 2.20, 3.50 A)
&rst
ixpk= 700, nxpk= 10, iat= -1, 337, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 320, 321,
&end
#
# 22 GLU HB- 22 GLU HN 4.50 (# 701:10 Unique 2.32, 3.13 A)
&rst
ixpk= 701, nxpk= 10, iat= -1, 337, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 341, 342,
&end
#
# 101 GLY HA+ 101 GLY HN 2.80 (# 702:10 Unique 2.35, 2.67 A)
&rst
ixpk= 702, nxpk= 10, iat= -1,1534, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1536,1537,
&end
#
# 60 VAL MGY 101 GLY HN 5.50 (# 703:10 Unique 3.70, 4.93 A)
&rst
ixpk= 703, nxpk= 10, iat= -1,1534, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 885, 886, 887, 889, 890, 891,
&end
#
# 21 TYR HA 22 GLU HN 2.80 (# 704:10 Unique 2.06, 2.24 A)
&rst
ixpk= 704, nxpk= 10, iat= 318, 337, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 22 GLU HA 22 GLU HN 7.00 (# 705:10 Unique 2.79, 2.89 A)
&rst
ixpk= 705, nxpk= 10, iat= 339, 337, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 22 GLU HB+ 22 GLU HN 5.50 (# 706:10 Unique 2.32, 3.13 A)
&rst
ixpk= 706, nxpk= 10, iat= -1, 337, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 341, 342,
&end
#
# 28 ILE QD1 97 LYS HN 7.00 (# 709:10 Unique 5.38, 6.67 A)
&rst
ixpk= 709, nxpk= 10, iat= -1,1464, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1= 456, 457, 458,
&end
#
# 98 GLU HN 97 LYS HN 2.80 (# 710:10 Unique 2.81, 2.82 A)
&rst
ixpk= 710, nxpk= 10, iat=1486,1464, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:711 97 LYS HN 2.80 (# 711:10 Single Ambig)
&rst
ixpk= 711, nxpk= 10, iat= -1,1464, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1468,1469,1468,1469,
&end
#
# 97 LYS HG+ 97 LYS HN 3.50 (# 712:10 Unique 2.37, 3.05 A)
&rst
ixpk= 712, nxpk= 10, iat= -1,1464, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1471,1472,
&end
#
# 96 ALA MB 97 LYS HN 2.80 (# 713:10 Unique 2.45, 3.32 A)
&rst
ixpk= 713, nxpk= 10, iat= -1,1464, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1458,1459,1460,
&end
#
# 34 ILE QG2 97 LYS HN 4.50 (# 714:10 Unique 4.43, 5.66 A)
&rst
ixpk= 714, nxpk= 10, iat= -1,1464, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 531, 532, 533,
&end
#
# 99 MET HN 97 LYS HN 7.00 (# 715:10 Unique 4.16, 4.20 A)
&rst
ixpk= 715, nxpk= 10, iat=1501,1464, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 94 SER HA 97 LYS HN 4.50 (# 716:10 Unique 3.26, 3.38 A)
&rst
ixpk= 716, nxpk= 10, iat=1434,1464, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 97 LYS HA 97 LYS HN 2.80 (# 717:10 Unique 2.85, 2.85 A)
&rst
ixpk= 717, nxpk= 10, iat=1466,1464, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:718 97 LYS HN 5.50 (# 718:10 Single Ambig)
&rst
ixpk= 718, nxpk= 10, iat= -1,1464, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1490,1491,1490,1491,
&end
#
# 97 LYS HG- 97 LYS HN 3.50 (# 719:10 Unique 2.37, 3.05 A)
&rst
ixpk= 719, nxpk= 10, iat= -1,1464, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1471,1472,
&end
#
# 100 VAL MGX 97 LYS HN 7.00 (# 720:10 Unique 4.87, 6.76 A)
&rst
ixpk= 720, nxpk= 10, iat= -1,1464, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1=1524,1525,1526,1528,1529,1530,
&end
#
# 0 AMB 10-2:721 97 LYS HN 4.50 (# 721:10 Single Ambig)
&rst
ixpk= 721, nxpk= 10, iat= -1,1464, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 538, 539, 540, 449, 450, 451,
&end
#
# 20 GLY HN 21 TYR HN 4.50 (# 722:10 Unique 2.71, 3.43 A)
&rst
ixpk= 722, nxpk= 10, iat= 309, 316, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 21 TYR HD 21 TYR HN 4.50 (# 723:10 Unique 2.57, 4.31 A)
&rst
ixpk= 723, nxpk= 10, iat= -1, 316, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 324, 333,
&end
#
# 21 TYR HA 21 TYR HN 2.80 (# 724:10 Unique 2.25, 2.87 A)
&rst
ixpk= 724, nxpk= 10, iat= 318, 316, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 20 GLY HA+ 21 TYR HN 5.50 (# 726:10 Unique 2.11, 3.10 A)
&rst
ixpk= 726, nxpk= 10, iat= -1, 316, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 311, 312,
&end
#
# 21 TYR HB- 21 TYR HN 5.50 (# 727:10 Unique 2.43, 3.38 A)
&rst
ixpk= 727, nxpk= 10, iat= -1, 316, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 320, 321,
&end
#
# 21 TYR HB+ 21 TYR HN 5.50 (# 728:10 Unique 2.43, 3.38 A)
&rst
ixpk= 728, nxpk= 10, iat= -1, 316, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 320, 321,
&end
#
# 18 ARG HB+ 21 TYR HN 7.00 (# 729:10 Unique 3.14, 4.95 A)
&rst
ixpk= 729, nxpk= 10, iat= -1, 316, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 270, 271,
&end
#
# 22 GLU HN 21 TYR HN 7.00 (# 730:10 Unique 3.95, 4.37 A)
&rst
ixpk= 730, nxpk= 10, iat= 337, 316, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 0 AMB 10-2:733 20 GLY HN 5.50 (# 733:10 Single Ambig)
&rst
ixpk= 733, nxpk= 10, iat= -1, 309, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 299, 300, 301, 303, 304, 305, 299, 300, 301, 303,
304, 305,
&end
#
# 19 LEU HA 20 GLY HN 2.80 (# 735:10 Unique 2.13, 2.24 A)
&rst
ixpk= 735, nxpk= 10, iat= 292, 309, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 20 GLY HA+ 20 GLY HN 3.50 (# 736:10 Unique 2.30, 2.64 A)
&rst
ixpk= 736, nxpk= 10, iat= -1, 309, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 311, 312,
&end
#
# 21 TYR HN 20 GLY HN 4.50 (# 738:10 Unique 2.71, 3.43 A)
&rst
ixpk= 738, nxpk= 10, iat= 316, 309, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:739 20 GLY HN 5.50 (# 739:10 Single Ambig)
&rst
ixpk= 739, nxpk= 10, iat= -1, 309, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 294, 295, 297,
&end
#
# 74 TYR HA 75 ARG HN 2.80 (# 742:10 Unique 2.23, 2.34 A)
&rst
ixpk= 742, nxpk= 10, iat=1096,1115, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 74 TYR HB+ 75 ARG HN 4.50 (# 743:10 Unique 2.39, 3.16 A)
&rst
ixpk= 743, nxpk= 10, iat= -1,1115, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1098,1099,
&end
#
# 75 ARG HG- 75 ARG HN 5.50 (# 744:10 Unique 2.65, 3.40 A)
&rst
ixpk= 744, nxpk= 10, iat= -1,1115, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1122,1123,
&end
#
# 14 ILE QG2 75 ARG HN 4.50 (# 745:10 Unique 3.02, 3.86 A)
&rst
ixpk= 745, nxpk= 10, iat= -1,1115, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 199, 200, 201,
&end
#
# 74 TYR HD 75 ARG HN 5.50 (# 746:10 Unique 2.93, 4.39 A)
&rst
ixpk= 746, nxpk= 10, iat= -1,1115, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1102,1111,
&end
#
# 75 ARG HA 75 ARG HN 4.50 (# 747:10 Unique 2.89, 2.94 A)
&rst
ixpk= 747, nxpk= 10, iat=1117,1115, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 75 ARG HB- 75 ARG HN 5.50 (# 748:10 Unique 2.80, 3.61 A)
&rst
ixpk= 748, nxpk= 10, iat= -1,1115, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1119,1120,
&end
#
# 75 ARG HG+ 75 ARG HN 5.50 (# 749:10 Unique 2.65, 3.40 A)
&rst
ixpk= 749, nxpk= 10, iat= -1,1115, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1122,1123,
&end
#
# 0 AMB 10-2:750 75 ARG HN 5.50 (# 750:10 Single Ambig)
&rst
ixpk= 750, nxpk= 10, iat= -1,1115, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1048,1049,1050,1052,1053,1054, 240, 241, 242,
&end
#
# 15 GLU HN 75 ARG HN 5.50 (# 751:10 Unique 2.86, 2.98 A)
&rst
ixpk= 751, nxpk= 10, iat= 212,1115, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 66 GLU HG+ 66 GLU HN 2.80 (# 752:10 Unique 1.78, 2.31 A)
&rst
ixpk= 752, nxpk= 10, iat= -1, 999, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1006,1007,
&end
#
# 0 AMB 10-2:753 66 GLU HN 5.50 (# 753:10 Single Ambig)
&rst
ixpk= 753, nxpk= 10, iat= -1, 999, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1048,1049,1050,1052,1053,1054, 515, 516, 517, 519,
520, 521,1032,1033,1034,1036,1037,1038,
&end
#
# 90 GLU HG+ 93 ILE HN 7.00 (# 754:10 Unique 5.85, 6.24 A)
&rst
ixpk= 754, nxpk= 10, iat= -1,1413, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1370,1371,
&end
#
# 94 SER HA 94 SER HN 2.80 (# 755:10 Unique 2.83, 2.84 A)
&rst
ixpk= 755, nxpk= 10, iat=1434,1432, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 94 SER HB+ 94 SER HN 2.80 (# 756:10 Unique 2.41, 2.91 A)
&rst
ixpk= 756, nxpk= 10, iat= -1,1432, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1436,1437,
&end
#
# 93 ILE HA 94 SER HN 4.50 (# 757:10 Unique 3.56, 3.58 A)
&rst
ixpk= 757, nxpk= 10, iat=1415,1432, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 93 ILE QG2 94 SER HN 3.50 (# 758:10 Unique 2.98, 3.88 A)
&rst
ixpk= 758, nxpk= 10, iat= -1,1432, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1419,1420,1421,
&end
#
# 67 ASP HN 66 GLU HN 3.50 (# 759:10 Unique 2.91, 2.97 A)
&rst
ixpk= 759, nxpk= 10, iat=1014, 999, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 65 LEU HN 66 GLU HN 4.50 (# 760:10 Unique 2.96, 3.14 A)
&rst
ixpk= 760, nxpk= 10, iat= 980, 999, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 66 GLU HA 66 GLU HN 2.80 (# 761:10 Unique 2.75, 2.79 A)
&rst
ixpk= 761, nxpk= 10, iat=1001, 999, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 65 LEU HA 66 GLU HN 5.50 (# 762:10 Unique 3.57, 3.60 A)
&rst
ixpk= 762, nxpk= 10, iat= 982, 999, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 66 GLU HB- 66 GLU HN 2.80 (# 764:10 Unique 2.68, 3.26 A)
&rst
ixpk= 764, nxpk= 10, iat= -1, 999, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1003,1004,
&end
#
# 0 AMB 10-2:765 66 GLU HN 3.50 (# 765:10 Single Ambig)
&rst
ixpk= 765, nxpk= 10, iat= -1, 999, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 984, 985, 960, 961,
&end
#
# 0 AMB 10-2:766 66 GLU HN 2.80 (# 766:10 Single Ambig)
&rst
ixpk= 766, nxpk= 10, iat= -1, 999, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 984, 985, 987,
&end
#
# 33 VAL MGX 66 GLU HN 7.00 (# 767:10 Unique 5.22, 6.47 A)
&rst
ixpk= 767, nxpk= 10, iat= -1, 999, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 515, 516, 517, 519, 520, 521,
&end
#
# 0 AMB 10-2:768 66 GLU HN 4.50 (# 768:10 Single Ambig)
&rst
ixpk= 768, nxpk= 10, iat= -1, 999, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 989, 990, 991, 993, 994, 995,1048,1049,1050,1052,
1053,1054,
&end
#
# 89 VAL MGX 93 ILE HN 5.50 (# 769:10 Unique 3.89, 5.51 A)
&rst
ixpk= 769, nxpk= 10, iat= -1,1413, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1353,1354,1355,1357,1358,1359,
&end
#
# 92 ILE HN 93 ILE HN 2.80 (# 770:10 Unique 2.68, 2.78 A)
&rst
ixpk= 770, nxpk= 10, iat=1394,1413, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 94 SER HN 93 ILE HN 2.80 (# 771:10 Unique 2.80, 2.82 A)
&rst
ixpk= 771, nxpk= 10, iat=1432,1413, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 90 GLU HA 93 ILE HN 4.50 (# 772:10 Unique 3.59, 3.65 A)
&rst
ixpk= 772, nxpk= 10, iat=1365,1413, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 93 ILE HA 93 ILE HN 2.80 (# 773:10 Unique 2.84, 2.86 A)
&rst
ixpk= 773, nxpk= 10, iat=1415,1413, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:774 93 ILE HN 5.50 (# 774:10 Single Ambig)
&rst
ixpk= 774, nxpk= 10, iat= -1,1413, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1396, 157, 158,
&end
#
# 93 ILE HG1+ 93 ILE HN 2.80 (# 775:10 Unique 2.46, 3.21 A)
&rst
ixpk= 775, nxpk= 10, iat= -1,1413, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1423,1424,
&end
#
# 93 ILE HG1- 93 ILE HN 2.80 (# 776:10 Unique 2.46, 3.21 A)
&rst
ixpk= 776, nxpk= 10, iat= -1,1413, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1423,1424,
&end
#
# 0 AMB 10-2:777 93 ILE HN 4.50 (# 777:10 Single Ambig)
&rst
ixpk= 777, nxpk= 10, iat= -1,1413, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1353,1354,1355,1357,1358,1359,1419,1420,1421,1407,
1408,1409,
&end
#
# 93 ILE QD1 93 ILE HN 3.50 (# 778:10 Unique 2.23, 4.15 A)
&rst
ixpk= 778, nxpk= 10, iat= -1,1413, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1426,1427,1428,
&end
#
# 95 SER HN 94 SER HN 2.80 (# 779:10 Unique 2.74, 2.80 A)
&rst
ixpk= 779, nxpk= 10, iat=1443,1432, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 92 ILE HA 94 SER HN 7.00 (# 780:10 Unique 4.53, 4.71 A)
&rst
ixpk= 780, nxpk= 10, iat=1396,1432, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 0 AMB 10-2:781 94 SER HN 4.50 (# 781:10 Single Ambig)
&rst
ixpk= 781, nxpk= 10, iat= -1,1432, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1474,1475,1423,1424,
&end
#
# 0 AMB 10-2:782 94 SER HN 5.50 (# 782:10 Single Ambig)
&rst
ixpk= 782, nxpk= 10, iat= -1,1432, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1426,1427,1428, 449, 450, 451,
&end
#
# 93 ILE HN 94 SER HN 2.80 (# 783:10 Unique 2.80, 2.82 A)
&rst
ixpk= 783, nxpk= 10, iat=1413,1432, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 91 VAL HA 94 SER HN 3.50 (# 784:10 Unique 3.10, 3.29 A)
&rst
ixpk= 784, nxpk= 10, iat=1380,1432, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 93 ILE HB 94 SER HN 2.80 (# 785:10 Unique 2.56, 2.76 A)
&rst
ixpk= 785, nxpk= 10, iat=1417,1432, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 93 ILE HG1- 94 SER HN 4.50 (# 786:10 Unique 4.60, 4.90 A)
&rst
ixpk= 786, nxpk= 10, iat= -1,1432, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1423,1424,
&end
#
# 93 ILE HB 93 ILE HN 2.80 (# 788:10 Unique 2.08, 2.17 A)
&rst
ixpk= 788, nxpk= 10, iat=1417,1413, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 92 ILE QG2 93 ILE HN 3.50 (# 789:10 Preassigned 3.75, 4.40 A)
&rst
ixpk= 789, nxpk= 10, iat= -1,1413, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1400,1401,1402,
&end
#
# 91 VAL HN 93 ILE HN 7.00 (# 790:10 Unique 4.15, 4.23 A)
&rst
ixpk= 790, nxpk= 10, iat=1378,1413, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 0 AMB 10-2:797 99 MET HN 7.00 (# 797:10 Single Ambig)
&rst
ixpk= 797, nxpk= 10, iat= -1,1501, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1464,1443,
&end
#
# 100 VAL HN 99 MET HN 2.80 (# 799:10 Unique 2.73, 2.76 A)
&rst
ixpk= 799, nxpk= 10, iat=1518,1501, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 99 MET HA 99 MET HN 2.80 (# 800:10 Unique 2.86, 2.86 A)
&rst
ixpk= 800, nxpk= 10, iat=1503,1501, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 98 GLU HA 99 MET HN 4.50 (# 801:10 Unique 3.55, 3.56 A)
&rst
ixpk= 801, nxpk= 10, iat=1488,1501, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 96 ALA HA 99 MET HN 3.50 (# 802:10 Unique 3.50, 3.53 A)
&rst
ixpk= 802, nxpk= 10, iat=1456,1501, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 99 MET HG- 99 MET HN 2.80 (# 803:10 Unique 2.35, 3.00 A)
&rst
ixpk= 803, nxpk= 10, iat= -1,1501, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1508,1509,
&end
#
# 99 MET HG+ 99 MET HN 2.80 (# 804:10 Unique 2.35, 3.00 A)
&rst
ixpk= 804, nxpk= 10, iat= -1,1501, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1508,1509,
&end
#
# 99 MET HB- 99 MET HN 2.80 (# 805:10 Unique 2.36, 2.98 A)
&rst
ixpk= 805, nxpk= 10, iat= -1,1501, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1505,1506,
&end
#
# 0 AMB 10-2:806 99 MET HN 2.80 (# 806:10 Single Ambig)
&rst
ixpk= 806, nxpk= 10, iat= -1,1501, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1490,1491,1490,1491,
&end
#
# 0 AMB 10-2:807 99 MET HN 7.00 (# 807:10 Single Ambig)
&rst
ixpk= 807, nxpk= 10, iat= -1,1501, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1468,1469,1468,1469,
&end
#
# 0 AMB 10-2:808 99 MET HN 7.00 (# 808:10 Single Ambig)
&rst
ixpk= 808, nxpk= 10, iat= -1,1501, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1458,1459,1460,1852,
&end
#
# 100 VAL MGX 99 MET HN 5.50 (# 809:10 Unique 4.34, 6.44 A)
&rst
ixpk= 809, nxpk= 10, iat= -1,1501, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1524,1525,1526,1528,1529,1530,
&end
#
# 0 AMB 10-2:810 99 MET HN 4.50 (# 810:10 Single Ambig)
&rst
ixpk= 810, nxpk= 10, iat= -1,1501, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 885, 886, 887, 889, 890, 891, 538, 539, 540,
&end
#
# 89 VAL MGY 11 GLY HN 4.50 (# 812:10 Unique 3.63, 5.39 A)
&rst
ixpk= 812, nxpk= 10, iat= -1, 155, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1353,1354,1355,1357,1358,1359,
&end
#
# 26 LEU HG 11 GLY HN 7.00 (# 813:10 Unique 5.58, 5.97 A)
&rst
ixpk= 813, nxpk= 10, iat= 410, 155, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 12 ASP HN 11 GLY HN 3.50 (# 814:10 Unique 2.53, 2.71 A)
&rst
ixpk= 814, nxpk= 10, iat= 162, 155, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 27 TYR HD 11 GLY HN 5.50 (# 815:10 Unique 3.49, 5.38 A)
&rst
ixpk= 815, nxpk= 10, iat= -1, 155, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 430, 439,
&end
#
# 11 GLY HA+ 11 GLY HN 3.50 (# 816:10 Unique 2.32, 2.66 A)
&rst
ixpk= 816, nxpk= 10, iat= -1, 155, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 157, 158,
&end
#
# 10 PRO HA 11 GLY HN 2.80 (# 817:10 Unique 2.13, 2.16 A)
&rst
ixpk= 817, nxpk= 10, iat= 151, 155, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 11 GLY HA- 11 GLY HN 2.80 (# 818:10 Unique 2.32, 2.66 A)
&rst
ixpk= 818, nxpk= 10, iat= -1, 155, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 157, 158,
&end
#
# 0 AMB 10-2:819 11 GLY HN 5.50 (# 819:10 Single Ambig)
&rst
ixpk= 819, nxpk= 10, iat= -1, 155, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 148, 149,1398,
&end
#
# 10 PRO HB- 11 GLY HN 7.00 (# 820:10 Unique 3.51, 3.87 A)
&rst
ixpk= 820, nxpk= 10, iat= -1, 155, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 148, 149,
&end
#
# 93 ILE QD1 11 GLY HN 3.50 (# 821:10 Unique 2.29, 3.61 A)
&rst
ixpk= 821, nxpk= 10, iat= -1, 155, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1426,1427,1428,
&end
#
# 28 ILE HA 11 GLY HN 4.50 (# 822:10 Preassigned 2.93, 3.13 A)
&rst
ixpk= 822, nxpk= 10, iat= 445, 155, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 93 ILE HG1- 11 GLY HN 5.50 (# 823:10 Unique 3.48, 3.91 A)
&rst
ixpk= 823, nxpk= 10, iat= -1, 155, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1423,1424,
&end
#
# 26 LEU MDX 11 GLY HN 4.50 (# 824:10 Unique 2.89, 4.67 A)
&rst
ixpk= 824, nxpk= 10, iat= -1, 155, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 412, 413, 414, 416, 417, 418,
&end
#
# 85 GLN HA 85 GLN HE2- 3.50 (# 826:10 Unique 2.94, 3.79 A)
&rst
ixpk= 826, nxpk= 10, iat=1280, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1290,1291,
&end
#
# 85 GLN HG+ 85 GLN HE2- 4.50 (# 828:10 Unique 2.24, 3.25 A)
&rst
ixpk= 828, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1285,1286,
igr2=1290,1291,
&end
#
# 85 GLN HA 85 GLN HE2+ 3.50 (# 830:10 Unique 2.94, 3.79 A)
&rst
ixpk= 830, nxpk= 10, iat=1280, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1290,1291,
&end
#
# 85 GLN HB+ 85 GLN HE2+ 7.00 (# 831:10 Unique 2.61, 4.76 A)
&rst
ixpk= 831, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1282,1283,
igr2=1290,1291,
&end
#
# 102 GLN HG- 102 GLN HE2+ 4.50 (# 834:10 Unique 2.26, 3.25 A)
&rst
ixpk= 834, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1548,1549,
igr2=1553,1554,
&end
#
# 42 TYR HA 56 ASN HD2- 3.50 (# 835:10 Unique 2.23, 3.86 A)
&rst
ixpk= 835, nxpk= 10, iat= 646, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 838, 839,
&end
#
# 43 PRO HB- 56 ASN HD2- 4.50 (# 836:10 Unique 3.31, 5.63 A)
&rst
ixpk= 836, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 672, 673,
igr2= 838, 839,
&end
#
# 102 GLN HG- 102 GLN HE2- 5.50 (# 837:10 Unique 2.26, 3.25 A)
&rst
ixpk= 837, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1548,1549,
igr2=1553,1554,
&end
#
# 42 TYR HA 56 ASN HD2+ 3.50 (# 841:10 Unique 2.23, 3.86 A)
&rst
ixpk= 841, nxpk= 10, iat= 646, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 838, 839,
&end
#
# 0 AMB 10-2:843 0 AMB 10-1:843 4.50 (# 843:10 Double Ambig)
&rst
ixpk= 843, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1490,1491,1490,1491, 636, 637,
igr2=1553,1554, 838, 839,
&end
#
# 0 AMB 10-2:844 0 AMB 10-1:844 4.50 (# 844:10 Double Ambig)
&rst
ixpk= 844, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1545,1546,1512,1513,1514,
igr2=1553,1554,1553,1554,
&end
#
# 99 MET HA 102 GLN HE2+ 3.50 (# 845:10 Unique 2.30, 2.69 A)
&rst
ixpk= 845, nxpk= 10, iat=1503, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1553,1554,
&end
#
# 102 GLN HG+ 102 GLN HE2+ 4.50 (# 846:10 Unique 2.26, 3.25 A)
&rst
ixpk= 846, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1548,1549,
igr2=1553,1554,
&end
#
# 99 MET HA 102 GLN HE2- 3.50 (# 850:10 Unique 2.30, 2.69 A)
&rst
ixpk= 850, nxpk= 10, iat=1503, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1553,1554,
&end
#
# 99 MET HG+ 102 GLN HE2- 7.00 (# 851:10 Unique 4.03, 4.87 A)
&rst
ixpk= 851, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1508,1509,
igr2=1553,1554,
&end
#
# 102 GLN HG+ 102 GLN HE2- 4.50 (# 854:10 Unique 2.26, 3.25 A)
&rst
ixpk= 854, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1548,1549,
igr2=1553,1554,
&end
#
# 77 ASN HB- 77 ASN HD2+ 5.50 (# 856:10 Unique 2.41, 3.14 A)
&rst
ixpk= 856, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1159,1160,
igr2=1164,1165,
&end
#
# 77 ASN HB- 77 ASN HD2- 5.50 (# 860:10 Unique 2.41, 3.14 A)
&rst
ixpk= 860, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1159,1160,
igr2=1164,1165,
&end
#
# 77 ASN HB+ 77 ASN HD2- 4.50 (# 861:10 Unique 2.41, 3.14 A)
&rst
ixpk= 861, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1159,1160,
igr2=1164,1165,
&end
#
# 77 ASN HB+ 77 ASN HD2+ 5.50 (# 864:10 Unique 2.41, 3.14 A)
&rst
ixpk= 864, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1159,1160,
igr2=1164,1165,
&end
#
# 122 TYR HA 122 TYR HN 4.50 (# 865:10 Unique 2.84, 2.87 A)
&rst
ixpk= 865, nxpk= 10, iat=1890,1888, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 122 TYR HB+ 122 TYR HN 4.50 (# 866:10 Unique 2.33, 2.50 A)
&rst
ixpk= 866, nxpk= 10, iat= -1,1888, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1892,1893,
&end
#
# 121 ARG HB- 122 TYR HN 4.50 (# 867:10 Unique 2.36, 3.25 A)
&rst
ixpk= 867, nxpk= 10, iat= -1,1888, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1868,1869,
&end
#
# 92 ILE QD1 122 TYR HN 7.00 (# 868:10 Unique 6.06, 7.37 A)
&rst
ixpk= 868, nxpk= 10, iat= -1,1888, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1=1407,1408,1409,
&end
#
# 120 LEU HN 122 TYR HN 7.00 (# 869:10 Unique 3.96, 4.35 A)
&rst
ixpk= 869, nxpk= 10, iat=1845,1888, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 0 AMB 10-2:870 122 TYR HN 5.50 (# 870:10 Single Ambig)
&rst
ixpk= 870, nxpk= 10, iat= -1,1888, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1816,1911,1912,
&end
#
# 122 TYR HB- 122 TYR HN 4.50 (# 871:10 Unique 2.33, 2.50 A)
&rst
ixpk= 871, nxpk= 10, iat= -1,1888, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1892,1893,
&end
#
# 121 ARG HB+ 122 TYR HN 5.50 (# 872:10 Unique 2.36, 3.25 A)
&rst
ixpk= 872, nxpk= 10, iat= -1,1888, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1868,1869,
&end
#
# 123 GLY HA+ 122 TYR HN 7.00 (# 873:10 Unique 4.65, 5.28 A)
&rst
ixpk= 873, nxpk= 10, iat= -1,1888, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1911,1912,
&end
#
# 0 AMB 10-2:874 122 TYR HN 4.50 (# 874:10 Single Ambig)
&rst
ixpk= 874, nxpk= 10, iat= -1,1888, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1830,1866,
&end
#
# 121 ARG HN 122 TYR HN 4.50 (# 875:10 Unique 2.35, 2.44 A)
&rst
ixpk= 875, nxpk= 10, iat=1864,1888, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 116 PHE HD 112 ASN HD2+ 7.00 (# 877:10 Unique 5.17, 7.68 A)
&rst
ixpk= 877, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1786,1794,
igr2=1730,1731,
&end
#
# 0 AMB 10-2:884 112 ASN HD2- 7.00 (# 884:10 Single Ambig)
&rst
ixpk= 884, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1780,1599,
igr2=1730,1731,
&end
#
# 119 GLN HG- 119 GLN HE2+ 7.00 (# 887:10 Unique 2.27, 3.29 A)
&rst
ixpk= 887, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1835,1836,
igr2=1840,1841,
&end
#
# 119 GLN HG+ 119 GLN HE2+ 5.50 (# 888:10 Unique 2.27, 3.29 A)
&rst
ixpk= 888, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1835,1836,
igr2=1840,1841,
&end
#
# 12 ASP HA 78 ASN HD2+ 2.80 (# 890:10 Unique 2.51, 3.43 A)
&rst
ixpk= 890, nxpk= 10, iat= 164, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1178,1179,
&end
#
# 78 ASN HB- 78 ASN HD2+ 3.50 (# 891:10 Unique 2.26, 3.15 A)
&rst
ixpk= 891, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1173,1174,
igr2=1178,1179,
&end
#
# 0 AMB 10-2:892 0 AMB 10-1:892 2.80 (# 892:10 Double Ambig)
&rst
ixpk= 892, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1173,1174, 166, 167,
igr2=1178,1179,1178,1179,
&end
#
# 76 VAL MGY 78 ASN HD2+ 3.50 (# 893:10 Unique 3.15, 5.62 A)
&rst
ixpk= 893, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1145,1146,1147,1149,1150,1151,
igr2=1178,1179,
&end
#
# 0 AMB 10-2:894 33 VAL HN 7.00 (# 894:10 Single Ambig)
&rst
ixpk= 894, nxpk= 10, iat= -1, 509, r1= 0.00, r2= 1.80, r3= 9.68, r4=10.43,
igr1= 535, 536, 963, 964, 397, 398, 399,
&end
#
# 0 AMB 10-2:895 33 VAL HN 7.00 (# 895:10 Single Ambig)
&rst
ixpk= 895, nxpk= 10, iat= -1, 509, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 924, 925, 921, 922,
&end
#
# 0 AMB 10-2:896 33 VAL HN 7.00 (# 896:10 Single Ambig)
&rst
ixpk= 896, nxpk= 10, iat= -1, 509, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 453, 454, 924, 925,
&end
#
# 65 LEU HN 33 VAL HN 5.50 (# 897:10 Unique 3.45, 3.53 A)
&rst
ixpk= 897, nxpk= 10, iat= 980, 509, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 13 LEU HN 78 ASN HD2+ 5.50 (# 898:10 Unique 3.34, 4.23 A)
&rst
ixpk= 898, nxpk= 10, iat= 174, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1178,1179,
&end
#
# 32 TYR HN 33 VAL HN 7.00 (# 899:10 Unique 4.53, 4.60 A)
&rst
ixpk= 899, nxpk= 10, iat= 488, 509, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 32 TYR HD 33 VAL HN 4.50 (# 900:10 Unique 3.24, 4.52 A)
&rst
ixpk= 900, nxpk= 10, iat= -1, 509, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 496, 505,
&end
#
# 33 VAL HA 33 VAL HN 5.50 (# 901:10 Unique 2.99, 3.00 A)
&rst
ixpk= 901, nxpk= 10, iat= 511, 509, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 32 TYR HA 33 VAL HN 2.80 (# 902:10 Unique 2.15, 2.20 A)
&rst
ixpk= 902, nxpk= 10, iat= 490, 509, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 64 ARG HA 33 VAL HN 4.50 (# 903:10 Unique 3.18, 3.42 A)
&rst
ixpk= 903, nxpk= 10, iat= 958, 509, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 32 TYR HB- 33 VAL HN 4.50 (# 904:10 Unique 2.65, 3.37 A)
&rst
ixpk= 904, nxpk= 10, iat= -1, 509, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 492, 493,
&end
#
# 32 TYR HB+ 33 VAL HN 3.50 (# 905:10 Unique 2.65, 3.37 A)
&rst
ixpk= 905, nxpk= 10, iat= -1, 509, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 492, 493,
&end
#
# 33 VAL MGX 33 VAL HN 3.50 (# 906:10 Unique 2.39, 3.59 A)
&rst
ixpk= 906, nxpk= 10, iat= -1, 509, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 515, 516, 517, 519, 520, 521,
&end
#
# 28 ILE QD1 33 VAL HN 4.50 (# 907:10 Unique 4.64, 5.48 A)
&rst
ixpk= 907, nxpk= 10, iat= -1, 509, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 456, 457, 458,
&end
#
# 33 VAL MGY 33 VAL HN 2.80 (# 908:10 Unique 2.39, 3.59 A)
&rst
ixpk= 908, nxpk= 10, iat= -1, 509, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 515, 516, 517, 519, 520, 521,
&end
#
# 63 GLU HN 33 VAL HN 3.50 (# 909:10 Unique 2.80, 2.90 A)
&rst
ixpk= 909, nxpk= 10, iat= 941, 509, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 33 VAL HB 33 VAL HN 7.00 (# 910:10 Unique 3.76, 3.80 A)
&rst
ixpk= 910, nxpk= 10, iat= 513, 509, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 0 AMB 10-2:911 123 GLY HN 4.50 (# 911:10 Single Ambig)
&rst
ixpk= 911, nxpk= 10, iat= -1,1909, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1916,1896,1905,
&end
#
# 123 GLY HA- 123 GLY HN 2.80 (# 912:10 Unique 2.29, 2.67 A)
&rst
ixpk= 912, nxpk= 10, iat= -1,1909, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1911,1912,
&end
#
# 123 GLY HA+ 123 GLY HN 2.80 (# 914:10 Unique 2.29, 2.67 A)
&rst
ixpk= 914, nxpk= 10, iat= -1,1909, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1911,1912,
&end
#
# 122 TYR HB- 123 GLY HN 4.50 (# 915:10 Preassigned 2.48, 3.40 A)
&rst
ixpk= 915, nxpk= 10, iat= -1,1909, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1892,1893,
&end
#
# 122 TYR HB+ 123 GLY HN 7.00 (# 916:10 Unique 2.48, 3.40 A)
&rst
ixpk= 916, nxpk= 10, iat= -1,1909, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1892,1893,
&end
#
# 121 ARG HD+ 121 ARG HE 5.50 (# 917:10 Unique 2.30, 2.78 A)
&rst
ixpk= 917, nxpk= 10, iat= -1,1877, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1874,1875,
&end
#
# 0 AMB 10-2:918 121 ARG HE 5.50 (# 918:10 Single Ambig)
&rst
ixpk= 918, nxpk= 10, iat= -1,1877, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1874,1875,1217,1218,
&end
#
# 117 VAL MGY 117 VAL HN 2.80 (# 919:10 Unique 2.22, 3.26 A)
&rst
ixpk= 919, nxpk= 10, iat= -1,1798, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1804,1805,1806,1808,1809,1810,
&end
#
# 117 VAL MGX 117 VAL HN 3.50 (# 920:10 Unique 2.22, 3.26 A)
&rst
ixpk= 920, nxpk= 10, iat= -1,1798, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1804,1805,1806,1808,1809,1810,
&end
#
# 118 THR HN 117 VAL HN 5.50 (# 921:10 Unique 2.45, 2.75 A)
&rst
ixpk= 921, nxpk= 10, iat=1814,1798, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 68 VAL HA 70 GLY HN 7.00 (# 922:10 Unique 3.81, 4.45 A)
&rst
ixpk= 922, nxpk= 10, iat=1028,1058, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 70 GLY HA- 70 GLY HN 2.80 (# 923:10 Unique 2.29, 2.56 A)
&rst
ixpk= 923, nxpk= 10, iat= -1,1058, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1060,1061,
&end
#
# 70 GLY HA+ 70 GLY HN 2.80 (# 924:10 Unique 2.29, 2.56 A)
&rst
ixpk= 924, nxpk= 10, iat= -1,1058, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1060,1061,
&end
#
# 69 VAL HB 70 GLY HN 4.50 (# 925:10 Unique 3.80, 4.08 A)
&rst
ixpk= 925, nxpk= 10, iat=1046,1058, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 69 VAL MGY 70 GLY HN 4.50 (# 926:10 Unique 2.48, 4.32 A)
&rst
ixpk= 926, nxpk= 10, iat= -1,1058, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1048,1049,1050,1052,1053,1054,
&end
#
# 69 VAL HN 70 GLY HN 2.80 (# 927:10 Unique 2.62, 2.68 A)
&rst
ixpk= 927, nxpk= 10, iat=1042,1058, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 67 ASP HA 70 GLY HN 5.50 (# 928:10 Unique 3.50, 3.74 A)
&rst
ixpk= 928, nxpk= 10, iat=1016,1058, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 69 VAL HA 70 GLY HN 5.50 (# 929:10 Unique 3.34, 3.50 A)
&rst
ixpk= 929, nxpk= 10, iat=1044,1058, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 69 VAL MGX 70 GLY HN 4.50 (# 930:10 Unique 2.48, 4.32 A)
&rst
ixpk= 930, nxpk= 10, iat= -1,1058, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1048,1049,1050,1052,1053,1054,
&end
#
# 12 ASP HB- 27 TYR HN 7.00 (# 931:10 Unique 3.81, 4.38 A)
&rst
ixpk= 931, nxpk= 10, iat= -1, 422, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 166, 167,
&end
#
# 22 GLU HB- 24 TRP HE1 5.50 (# 932:10 Unique 4.93, 5.88 A)
&rst
ixpk= 932, nxpk= 10, iat= -1, 379, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 341, 342,
&end
#
# 13 LEU MDX 25 ALA HN 7.00 (# 933:10 Unique 4.72, 6.79 A)
&rst
ixpk= 933, nxpk= 10, iat= -1, 393, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 183, 184, 185, 187, 188, 189,
&end
#
# 60 VAL HN 101 GLY HN 7.00 (# 934:10 Unique 3.71, 3.84 A)
&rst
ixpk= 934, nxpk= 10, iat= 879,1534, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 100 VAL HN 101 GLY HN 7.00 (# 935:10 Unique 4.56, 4.58 A)
&rst
ixpk= 935, nxpk= 10, iat=1518,1534, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 0 AMB 10-2:936 66 GLU HN 5.50 (# 936:10 Single Ambig)
&rst
ixpk= 936, nxpk= 10, iat= -1, 999, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 958, 483, 484,
&end
#
# 69 VAL HA 17 PHE HN 7.00 (# 937:10 Unique 5.99, 6.43 A)
&rst
ixpk= 937, nxpk= 10, iat=1044, 246, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 32 TYR HA 63 GLU HN 5.50 (# 938:10 Preassigned 4.34, 4.51 A)
&rst
ixpk= 938, nxpk= 10, iat= 490, 941, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 64 ARG HG- 65 LEU HN 4.50 (# 939:10 Unique 3.93, 4.62 A)
&rst
ixpk= 939, nxpk= 10, iat= -1, 980, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 963, 964,
&end
#
# 0 AMB 10-2:941 87 ARG HN 5.50 (# 941:10 Single Ambig)
&rst
ixpk= 941, nxpk= 10, iat= -1,1309, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=1334,1335,1296,1297,1866,
&end
#
# 102 GLN HB- 103 LYS HN 2.80 (# 942:10 Unique 2.39, 3.21 A)
&rst
ixpk= 942, nxpk= 10, iat= -1,1558, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1545,1546,
&end
#
# 102 GLN HG- 103 LYS HN 5.50 (# 943:10 Unique 4.08, 4.56 A)
&rst
ixpk= 943, nxpk= 10, iat= -1,1558, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1548,1549,
&end
#
# 105 LYS HG- 105 LYS HN 5.50 (# 944:10 Unique 2.09, 2.93 A)
&rst
ixpk= 944, nxpk= 10, iat= -1,1597, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1604,1605,
&end
#
# 115 HIS HA 118 THR HN 7.00 (# 946:10 Unique 3.35, 3.60 A)
&rst
ixpk= 946, nxpk= 10, iat=1763,1814, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 91 VAL MGX 90 GLU HN 5.50 (# 947:10 Unique 4.27, 6.43 A)
&rst
ixpk= 947, nxpk= 10, iat= -1,1363, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1384,1385,1386,1388,1389,1390,
&end
#
# 62 ARG HA 33 VAL HN 7.00 (# 949:10 Unique 4.38, 4.53 A)
&rst
ixpk= 949, nxpk= 10, iat= 919, 509, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 66 GLU HA 67 ASP HN 4.50 (# 950:10 Unique 3.54, 3.59 A)
&rst
ixpk= 950, nxpk= 10, iat=1001,1014, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 58 ALA MB 37 ALA HN 7.00 (# 952:10 Unique 3.38, 4.83 A)
&rst
ixpk= 952, nxpk= 10, iat= -1, 580, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1= 858, 859, 860,
&end
#
# 14 ILE HG1+ 15 GLU HN 7.00 (# 953:10 Unique 4.16, 4.83 A)
&rst
ixpk= 953, nxpk= 10, iat= -1, 212, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 203, 204,
&end
#
# 14 ILE HN 15 GLU HN 7.00 (# 954:10 Unique 4.37, 4.41 A)
&rst
ixpk= 954, nxpk= 10, iat= 193, 212, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 36 LEU MDX 61 LYS HN 5.50 (# 955:10 Unique 3.94, 6.62 A)
&rst
ixpk= 955, nxpk= 10, iat= -1, 895, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 570, 571, 572, 574, 575, 576,
&end
#
# 61 LYS HG+ 61 LYS HN 3.50 (# 956:10 Unique 3.00, 3.73 A)
&rst
ixpk= 956, nxpk= 10, iat= -1, 895, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 902, 903,
&end
#
# 100 VAL MGX 61 LYS HN 7.00 (# 957:10 Unique 3.61, 5.33 A)
&rst
ixpk= 957, nxpk= 10, iat= -1, 895, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1=1524,1525,1526,1528,1529,1530,
&end
#
# 76 VAL MGY 15 GLU HN 7.00 (# 958:10 Unique 5.04, 6.32 A)
&rst
ixpk= 958, nxpk= 10, iat= -1, 212, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1=1145,1146,1147,1149,1150,1151,
&end
#
# 77 ASN HB+ 15 GLU HN 7.00 (# 959:10 Unique 3.92, 4.43 A)
&rst
ixpk= 959, nxpk= 10, iat= -1, 212, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1159,1160,
&end
#
# 14 ILE HG1+ 27 TYR HN 4.50 (# 964:10 Unique 3.13, 4.30 A)
&rst
ixpk= 964, nxpk= 10, iat= -1, 422, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 203, 204,
&end
#
# 17 PHE HE 17 PHE HN 7.00 (# 965:10 Unique 4.36, 5.28 A)
&rst
ixpk= 965, nxpk= 10, iat= -1, 246, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 256, 260,
&end
#
# 92 ILE HB 89 VAL HN 7.00 (# 967:10 Preassigned 5.37, 5.53 A)
&rst
ixpk= 967, nxpk= 10, iat=1398,1347, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 0 AMB 10-2:968 0 AMB 10-1:968 2.80 (# 968:10 Double Ambig)
&rst
ixpk= 968, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 885, 886, 887, 889, 890, 891, 237, 238,
igr2= 879, 227,
&end
#
# 34 ILE QG2 63 GLU HN 7.00 (# 970:10 Unique 6.05, 6.89 A)
&rst
ixpk= 970, nxpk= 10, iat= -1, 941, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1= 531, 532, 533,
&end
#
# 64 ARG HG+ 64 ARG HN 2.80 (# 971:10 Unique 2.31, 3.09 A)
&rst
ixpk= 971, nxpk= 10, iat= -1, 956, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 963, 964,
&end
#
# 64 ARG HB- 64 ARG HN 2.80 (# 972:10 Unique 2.31, 3.01 A)
&rst
ixpk= 972, nxpk= 10, iat= -1, 956, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 960, 961,
&end
#
# 25 ALA HA 14 ILE HN 5.50 (# 973:10 Preassigned 4.70, 4.75 A)
&rst
ixpk= 973, nxpk= 10, iat= 395, 193, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 13 LEU MDX 13 LEU HN 3.50 (# 974:10 Preassigned 2.35, 4.45 A)
&rst
ixpk= 974, nxpk= 10, iat= -1, 174, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 183, 184, 185, 187, 188, 189,
&end
#
# 0 AMB 10-2:975 0 AMB 10-1:975 3.50 (# 975:10 Double Ambig)
&rst
ixpk= 975, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 183, 184, 185, 187, 188, 189, 407, 408,
igr2= 174, 525,
&end
#
# 78 ASN HD2+ 13 LEU HN 5.50 (# 976:10 Unique 3.34, 4.23 A)
&rst
ixpk= 976, nxpk= 10, iat= -1, 174, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1178,1179,
&end
#
# 34 ILE HG1+ 34 ILE HN 5.50 (# 977:10 Unique 2.99, 3.66 A)
&rst
ixpk= 977, nxpk= 10, iat= -1, 525, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 535, 536,
&end
#
# 26 LEU HA 0 AMB 10-1:978 7.00 (# 978:10 Single Ambig)
&rst
ixpk= 978, nxpk= 10, iat= 405, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 525, 174,
&end
#
# 0 AMB 10-2:980 66 GLU HN 5.50 (# 980:10 Single Ambig)
&rst
ixpk= 980, nxpk= 10, iat= -1, 999, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1026,1058,
&end
#
# 64 ARG HG- 66 GLU HN 5.50 (# 981:10 Unique 4.78, 5.69 A)
&rst
ixpk= 981, nxpk= 10, iat= -1, 999, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 963, 964,
&end
#
# 34 ILE HA 34 ILE HN 4.50 (# 983:10 Unique 2.99, 3.00 A)
&rst
ixpk= 983, nxpk= 10, iat= 527, 525, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:984 0 AMB 10-1:984 3.50 (# 984:10 Double Ambig)
&rst
ixpk= 984, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 403,1155,
igr2= 525, 174,
&end
#
# 80 LEU HA 81 ASP HN 3.50 (# 986:10 Unique 3.31, 3.41 A)
&rst
ixpk= 986, nxpk= 10, iat=1196,1213, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 14 ILE QG2 17 PHE HN 7.00 (# 987:10 Unique 6.10, 6.98 A)
&rst
ixpk= 987, nxpk= 10, iat= -1, 246, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1= 199, 200, 201,
&end
#
# 74 TYR HB+ 17 PHE HN 7.00 (# 988:10 Unique 3.74, 4.28 A)
&rst
ixpk= 988, nxpk= 10, iat= -1, 246, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1098,1099,
&end
#
# 58 ALA HA 37 ALA HN 7.00 (# 989:10 Unique 4.44, 4.68 A)
&rst
ixpk= 989, nxpk= 10, iat= 856, 580, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 0 AMB 10-2:991 18 ARG HN 7.00 (# 991:10 Single Ambig)
&rst
ixpk= 991, nxpk= 10, iat= -1, 266, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 356, 357, 320, 321,
&end
#
# 34 ILE QG2 100 VAL HN 5.50 (# 995:10 Unique 3.55, 4.39 A)
&rst
ixpk= 995, nxpk= 10, iat= -1,1518, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 531, 532, 533,
&end
#
# 80 LEU HB+ 83 GLU HN 7.00 (# 996:10 Unique 4.16, 4.63 A)
&rst
ixpk= 996, nxpk= 10, iat= -1,1242, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1198,1199,
&end
#
# 64 ARG HN 67 ASP HN 5.50 (# 997:10 Unique 4.24, 4.57 A)
&rst
ixpk= 997, nxpk= 10, iat= 956,1014, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 122 TYR HN 124 LYS HN 5.50 (# 998:10 Unique 4.32, 4.49 A)
&rst
ixpk= 998, nxpk= 10, iat=1888,1916, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 100 VAL HB 98 GLU HN 5.50 (# 999:10 Unique 5.16, 5.34 A)
&rst
ixpk= 999, nxpk= 10, iat=1522,1486, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 95 SER HA 98 GLU HN 4.50 (# 1000:10 Unique 3.37, 3.48 A)
&rst
ixpk= 1000, nxpk= 10, iat=1445,1486, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 117 VAL HA 117 VAL HN 5.50 (# 1001:10 Unique 2.87, 2.90 A)
&rst
ixpk= 1001, nxpk= 10, iat=1800,1798, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 119 GLN HG+ 119 GLN HE2- 5.50 (# 1002:10 Unique 2.27, 3.29 A)
&rst
ixpk= 1002, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1835,1836,
igr2=1840,1841,
&end
#
# 119 GLN HG- 119 GLN HE2- 5.50 (# 1003:10 Unique 2.27, 3.29 A)
&rst
ixpk= 1003, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1835,1836,
igr2=1840,1841,
&end
#
# 119 GLN HB- 119 GLN HE2- 7.00 (# 1006:10 Unique 2.38, 4.23 A)
&rst
ixpk= 1006, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1832,1833,
igr2=1840,1841,
&end
#
# 12 ASP HA 13 LEU HN 2.80 (# 1007:10 Unique 2.07, 2.15 A)
&rst
ixpk= 1007, nxpk= 10, iat= 164, 174, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 20 GLY HA- 20 GLY HN 2.80 (# 1008:10 Unique 2.30, 2.64 A)
&rst
ixpk= 1008, nxpk= 10, iat= -1, 309, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 311, 312,
&end
#
# 23 HIS HA 24 TRP HN 4.50 (# 1009:10 Unique 2.19, 2.42 A)
&rst
ixpk= 1009, nxpk= 10, iat= 354, 369, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 24 TRP HB- 24 TRP HN 7.00 (# 1010:10 Unique 2.40, 3.25 A)
&rst
ixpk= 1010, nxpk= 10, iat= -1, 369, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 373, 374,
&end
#
# 28 ILE HG1+ 28 ILE HN 3.50 (# 1011:10 Unique 2.15, 2.71 A)
&rst
ixpk= 1011, nxpk= 10, iat= -1, 443, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 453, 454,
&end
#
# 27 TYR HD 32 TYR HN 5.50 (# 1012:10 Unique 4.76, 5.96 A)
&rst
ixpk= 1012, nxpk= 10, iat= -1, 488, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 430, 439,
&end
#
# 16 ILE QD1 14 ILE HN 5.50 (# 1013:10 Unique 5.75, 6.83 A)
&rst
ixpk= 1013, nxpk= 10, iat= -1, 193, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 240, 241, 242,
&end
#
# 35 HIS HB- 36 LEU HN 5.50 (# 1014:10 Unique 2.31, 3.28 A)
&rst
ixpk= 1014, nxpk= 10, iat= -1, 561, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 548, 549,
&end
#
# 15 GLU HG+ 24 TRP HE1 7.00 (# 1016:10 Unique 2.09, 3.36 A)
&rst
ixpk= 1016, nxpk= 10, iat= -1, 379, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 219, 220,
&end
#
# 122 TYR HN 123 GLY HN 2.80 (# 1019:10 Unique 2.38, 2.75 A)
&rst
ixpk= 1019, nxpk= 10, iat=1888,1909, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 45 ALA MB 45 ALA HN 3.50 (# 1020:10 Unique 2.43, 3.10 A)
&rst
ixpk= 1020, nxpk= 10, iat= -1, 686, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 690, 691, 692,
&end
#
# 53 VAL HA 54 LEU HN 4.50 (# 1022:10 Unique 2.13, 2.57 A)
&rst
ixpk= 1022, nxpk= 10, iat= 785, 799, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 49 SER HA 45 ALA HN 7.00 (# 1023:10 Unique 4.10, 5.88 A)
&rst
ixpk= 1023, nxpk= 10, iat= 727, 686, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 0 AMB 10-2:1025 50 VAL HN 5.50 (# 1025:10 Single Ambig)
&rst
ixpk= 1025, nxpk= 10, iat= -1, 736, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 742, 743, 744, 746, 747, 748, 742, 743, 744, 746,
747, 748,
&end
#
# 50 VAL HB 50 VAL HN 7.00 (# 1026:10 Unique 2.27, 3.22 A)
&rst
ixpk= 1026, nxpk= 10, iat= 740, 736, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 44 GLY HA+ 50 VAL HN 7.00 (# 1027:10 Unique 2.80, 6.38 A)
&rst
ixpk= 1027, nxpk= 10, iat= -1, 736, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 681, 682,
&end
#
# 31 GLY HN 32 TYR HN 2.80 (# 1030:10 Unique 2.43, 2.60 A)
&rst
ixpk= 1030, nxpk= 10, iat= 481, 488, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 53 VAL MGY 53 VAL HN 7.00 (# 1034:10 Unique 2.00, 3.75 A)
&rst
ixpk= 1034, nxpk= 10, iat= -1, 783, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 789, 790, 791, 793, 794, 795,
&end
#
# 26 LEU HB+ 96 ALA HN 5.50 (# 1035:10 Unique 5.95, 6.29 A)
&rst
ixpk= 1035, nxpk= 10, iat= -1,1454, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 407, 408,
&end
#
# 0 AMB 10-2:1036 54 LEU HN 3.50 (# 1036:10 Single Ambig)
&rst
ixpk= 1036, nxpk= 10, iat= -1, 799, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 803, 804, 806,
&end
#
# 53 VAL HN 54 LEU HN 7.00 (# 1037:10 Unique 2.21, 3.98 A)
&rst
ixpk= 1037, nxpk= 10, iat= 783, 799, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 60 VAL MGX 60 VAL HN 4.50 (# 1038:10 Unique 2.30, 3.95 A)
&rst
ixpk= 1038, nxpk= 10, iat= -1, 879, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 885, 886, 887, 889, 890, 891,
&end
#
# 101 GLY HA- 61 LYS HN 7.00 (# 1039:10 Unique 6.60, 7.28 A)
&rst
ixpk= 1039, nxpk= 10, iat= -1, 895, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1536,1537,
&end
#
# 62 ARG HN 61 LYS HN 7.00 (# 1040:10 Unique 4.48, 4.49 A)
&rst
ixpk= 1040, nxpk= 10, iat= 917, 895, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 62 ARG HN 63 GLU HN 7.00 (# 1041:10 Unique 4.37, 4.49 A)
&rst
ixpk= 1041, nxpk= 10, iat= 917, 941, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 35 HIS HN 63 GLU HN 7.00 (# 1042:10 Unique 4.95, 5.09 A)
&rst
ixpk= 1042, nxpk= 10, iat= 544, 941, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 67 ASP HB+ 64 ARG HN 7.00 (# 1043:10 Unique 3.00, 3.79 A)
&rst
ixpk= 1043, nxpk= 10, iat= -1, 956, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1018,1019,
&end
#
# 67 ASP HN 64 ARG HN 5.50 (# 1044:10 Unique 4.24, 4.57 A)
&rst
ixpk= 1044, nxpk= 10, iat=1014, 956, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 63 GLU HN 64 ARG HN 7.00 (# 1045:10 Unique 4.30, 4.38 A)
&rst
ixpk= 1045, nxpk= 10, iat= 941, 956, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 0 AMB 10-2:1046 65 LEU HN 7.00 (# 1046:10 Single Ambig)
&rst
ixpk= 1046, nxpk= 10, iat= -1, 980, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 453, 454, 924, 925,
&end
#
# 64 ARG HG+ 65 LEU HN 4.50 (# 1047:10 Unique 3.93, 4.62 A)
&rst
ixpk= 1047, nxpk= 10, iat= -1, 980, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 963, 964,
&end
#
# 63 GLU HN 65 LEU HN 7.00 (# 1048:10 Unique 5.61, 5.66 A)
&rst
ixpk= 1048, nxpk= 10, iat= 941, 980, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 64 ARG HG+ 66 GLU HN 5.50 (# 1049:10 Unique 4.78, 5.69 A)
&rst
ixpk= 1049, nxpk= 10, iat= -1, 999, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 963, 964,
&end
#
# 67 ASP HB- 67 ASP HN 2.80 (# 1050:10 Unique 2.19, 2.63 A)
&rst
ixpk= 1050, nxpk= 10, iat= -1,1014, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1018,1019,
&end
#
# 67 ASP HB+ 68 VAL HN 3.50 (# 1051:10 Unique 2.47, 3.23 A)
&rst
ixpk= 1051, nxpk= 10, iat= -1,1026, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1018,1019,
&end
#
# 65 LEU MDX 69 VAL HN 3.50 (# 1053:10 Unique 3.37, 5.54 A)
&rst
ixpk= 1053, nxpk= 10, iat= -1,1042, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 989, 990, 991, 993, 994, 995,
&end
#
# 69 VAL HA 72 CYS HN 7.00 (# 1055:10 Unique 3.93, 4.28 A)
&rst
ixpk= 1055, nxpk= 10, iat=1044,1072, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 74 TYR HB- 74 TYR HN 5.50 (# 1056:10 Unique 3.29, 3.73 A)
&rst
ixpk= 1056, nxpk= 10, iat= -1,1094, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1098,1099,
&end
#
# 74 TYR HB+ 74 TYR HN 5.50 (# 1057:10 Unique 3.29, 3.73 A)
&rst
ixpk= 1057, nxpk= 10, iat= -1,1094, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1098,1099,
&end
#
# 74 TYR HB- 75 ARG HN 4.50 (# 1058:10 Unique 2.39, 3.16 A)
&rst
ixpk= 1058, nxpk= 10, iat= -1,1115, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1098,1099,
&end
#
# 0 AMB 10-2:1059 76 VAL HN 7.00 (# 1059:10 Single Ambig)
&rst
ixpk= 1059, nxpk= 10, iat= -1,1139, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 199, 200, 201, 206, 207, 208,
&end
#
# 8 PRO HB+ 76 VAL HN 7.00 (# 1060:10 Unique 5.28, 6.61 A)
&rst
ixpk= 1060, nxpk= 10, iat= -1,1139, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 112, 113,
&end
#
# 75 ARG HA 76 VAL HN 2.80 (# 1061:10 Unique 2.25, 2.34 A)
&rst
ixpk= 1061, nxpk= 10, iat=1117,1139, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 76 VAL HN 77 ASN HN 7.00 (# 1062:10 Unique 4.51, 4.57 A)
&rst
ixpk= 1062, nxpk= 10, iat=1139,1155, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 78 ASN HN 77 ASN HN 4.50 (# 1063:10 Unique 3.23, 3.43 A)
&rst
ixpk= 1063, nxpk= 10, iat=1169,1155, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 76 VAL MGX 78 ASN HN 7.00 (# 1064:10 Unique 2.66, 5.38 A)
&rst
ixpk= 1064, nxpk= 10, iat= -1,1169, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1=1145,1146,1147,1149,1150,1151,
&end
#
# 77 ASN HN 78 ASN HN 3.50 (# 1065:10 Unique 3.23, 3.43 A)
&rst
ixpk= 1065, nxpk= 10, iat=1155,1169, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:1066 79 SER HN 5.50 (# 1066:10 Single Ambig)
&rst
ixpk= 1066, nxpk= 10, iat= -1,1183, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1173,1174,1874,1875,
&end
#
# 80 LEU HN 79 SER HN 4.50 (# 1067:10 Unique 2.76, 2.82 A)
&rst
ixpk= 1067, nxpk= 10, iat=1194,1183, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 80 LEU HB+ 80 LEU HN 2.80 (# 1068:10 Unique 2.56, 3.15 A)
&rst
ixpk= 1068, nxpk= 10, iat= -1,1194, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1198,1199,
&end
#
# 79 SER HB- 80 LEU HN 5.50 (# 1070:10 Unique 2.78, 3.83 A)
&rst
ixpk= 1070, nxpk= 10, iat= -1,1194, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1187,1188,
&end
#
# 79 SER HA 80 LEU HN 7.00 (# 1071:10 Unique 3.53, 3.56 A)
&rst
ixpk= 1071, nxpk= 10, iat=1185,1194, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 79 SER HN 80 LEU HN 2.80 (# 1072:10 Unique 2.76, 2.82 A)
&rst
ixpk= 1072, nxpk= 10, iat=1183,1194, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 84 TYR HA 84 TYR HN 3.50 (# 1074:10 Unique 2.98, 3.00 A)
&rst
ixpk= 1074, nxpk= 10, iat=1259,1257, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 85 GLN HG+ 85 GLN HE2+ 5.50 (# 1077:10 Unique 2.24, 3.25 A)
&rst
ixpk= 1077, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1285,1286,
igr2=1290,1291,
&end
#
# 95 SER HN 92 ILE HN 5.50 (# 1081:10 Unique 4.62, 4.68 A)
&rst
ixpk= 1081, nxpk= 10, iat=1443,1394, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 91 VAL HA 93 ILE HN 7.00 (# 1082:10 Unique 4.45, 4.56 A)
&rst
ixpk= 1082, nxpk= 10, iat=1380,1413, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 96 ALA HN 93 ILE HN 7.00 (# 1083:10 Unique 4.61, 4.68 A)
&rst
ixpk= 1083, nxpk= 10, iat=1454,1413, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 96 ALA HN 94 SER HN 4.50 (# 1084:10 Unique 4.19, 4.26 A)
&rst
ixpk= 1084, nxpk= 10, iat=1454,1432, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 93 ILE HG1- 97 LYS HN 7.00 (# 1085:10 Unique 5.76, 6.35 A)
&rst
ixpk= 1085, nxpk= 10, iat= -1,1464, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1423,1424,
&end
#
# 96 ALA HA 97 LYS HN 4.50 (# 1086:10 Unique 3.60, 3.61 A)
&rst
ixpk= 1086, nxpk= 10, iat=1456,1464, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:1087 97 LYS HN 7.00 (# 1087:10 Single Ambig)
&rst
ixpk= 1087, nxpk= 10, iat= -1,1464, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1447,1448,1436,1437,
&end
#
# 96 ALA HN 97 LYS HN 2.80 (# 1088:10 Unique 2.81, 2.84 A)
&rst
ixpk= 1088, nxpk= 10, iat=1454,1464, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 99 MET HA 98 GLU HN 7.00 (# 1089:10 Unique 5.19, 5.35 A)
&rst
ixpk= 1089, nxpk= 10, iat=1503,1486, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 99 MET HN 98 GLU HN 2.80 (# 1091:10 Unique 2.53, 2.73 A)
&rst
ixpk= 1091, nxpk= 10, iat=1501,1486, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 120 LEU MDY 99 MET HN 7.00 (# 1092:10 Unique 4.41, 5.83 A)
&rst
ixpk= 1092, nxpk= 10, iat= -1,1501, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1=1854,1855,1856,1858,1859,1860,
&end
#
# 100 VAL MGY 99 MET HN 7.00 (# 1093:10 Unique 4.34, 6.44 A)
&rst
ixpk= 1093, nxpk= 10, iat= -1,1501, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1=1524,1525,1526,1528,1529,1530,
&end
#
# 98 GLU HN 99 MET HN 2.80 (# 1094:10 Unique 2.53, 2.73 A)
&rst
ixpk= 1094, nxpk= 10, iat=1486,1501, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 102 GLN HG+ 102 GLN HN 2.80 (# 1095:10 Unique 2.43, 3.01 A)
&rst
ixpk= 1095, nxpk= 10, iat= -1,1541, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1548,1549,
&end
#
# 37 ALA MB 59 GLU HN 3.50 (# 1096:10 Unique 2.42, 3.83 A)
&rst
ixpk= 1096, nxpk= 10, iat= -1, 864, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 584, 585, 586,
&end
#
# 103 LYS HN 102 GLN HN 4.50 (# 1097:10 Unique 4.55, 4.57 A)
&rst
ixpk= 1097, nxpk= 10, iat=1558,1541, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 102 GLN HN 103 LYS HN 5.50 (# 1098:10 Unique 4.55, 4.57 A)
&rst
ixpk= 1098, nxpk= 10, iat=1541,1558, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 104 MET HN 103 LYS HN 5.50 (# 1099:10 Unique 4.47, 4.55 A)
&rst
ixpk= 1099, nxpk= 10, iat=1580,1558, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 87 ARG HD- 87 ARG HN 4.50 (# 1101:10 Unique 2.39, 4.28 A)
&rst
ixpk= 1101, nxpk= 10, iat= -1,1309, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1319,1320,
&end
#
# 118 THR HA 119 GLN HN 5.50 (# 1105:10 Unique 3.51, 3.55 A)
&rst
ixpk= 1105, nxpk= 10, iat=1816,1828, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 118 THR HB 119 GLN HN 3.50 (# 1106:10 Unique 2.48, 3.21 A)
&rst
ixpk= 1106, nxpk= 10, iat=1818,1828, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 114 GLU HB- 114 GLU HN 5.50 (# 1108:10 Unique 2.38, 2.84 A)
&rst
ixpk= 1108, nxpk= 10, iat= -1,1746, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1750,1751,
&end
#
# 114 GLU HA 114 GLU HN 7.00 (# 1109:10 Unique 2.84, 2.89 A)
&rst
ixpk= 1109, nxpk= 10, iat=1748,1746, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 117 VAL MGY 116 PHE HN 7.00 (# 1110:10 Unique 4.16, 5.80 A)
&rst
ixpk= 1110, nxpk= 10, iat= -1,1778, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1=1804,1805,1806,1808,1809,1810,
&end
#
# 115 HIS HB+ 116 PHE HN 4.50 (# 1111:10 Unique 2.59, 3.35 A)
&rst
ixpk= 1111, nxpk= 10, iat= -1,1778, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1765,1766,
&end
#
# 116 PHE HB+ 117 VAL HN 7.00 (# 1112:10 Unique 2.55, 3.34 A)
&rst
ixpk= 1112, nxpk= 10, iat= -1,1798, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1782,1783,
&end
#
# 116 PHE HN 117 VAL HN 7.00 (# 1113:10 Unique 2.48, 2.93 A)
&rst
ixpk= 1113, nxpk= 10, iat=1778,1798, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 123 GLY HA- 120 LEU HN 7.00 (# 1115:10 Unique 5.88, 6.77 A)
&rst
ixpk= 1115, nxpk= 10, iat= -1,1845, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1911,1912,
&end
#
# 0 AMB 10-2:1116 120 LEU HN 7.00 (# 1116:10 Single Ambig)
&rst
ixpk= 1116, nxpk= 10, iat= -1,1845, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1=1798,1788,1792,
&end
#
# 97 LYS HD+ 97 LYS HN 3.50 (# 1121:10 Unique 3.70, 4.16 A)
&rst
ixpk= 1121, nxpk= 10, iat= -1,1464, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1474,1475,
&end
#
# 0 AMB 10-2:1126 100 VAL HN 7.00 (# 1126:10 Single Ambig)
&rst
ixpk= 1126, nxpk= 10, iat= -1,1518, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1541,1454,
&end
#
# 82 HIS HA 85 GLN HE2- 7.00 (# 1128:10 Unique 6.48, 7.61 A)
&rst
ixpk= 1128, nxpk= 10, iat=1227, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1290,1291,
&end
#
# 76 VAL HA 6 GLN HE2+ 5.50 (# 1129:10 Unique 5.11, 6.27 A)
&rst
ixpk= 1129, nxpk= 10, iat=1141, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 85, 86,
&end
#
# 0 AMB 10-2:1131 102 GLN HE2- 5.50 (# 1131:10 Single Ambig)
&rst
ixpk= 1131, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
igr1=1545,1546,1512,1513,1514,
igr2=1553,1554,
&end
#
# 39 PRO HA 40 SER HN 5.50 (# 1134:10 Unique 2.17, 2.60 A)
&rst
ixpk= 1134, nxpk= 10, iat= 614, 618, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 66 GLU HA 70 GLY HN 4.50 (# 1137:10 Unique 3.84, 4.18 A)
&rst
ixpk= 1137, nxpk= 10, iat=1001,1058, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 65 LEU MDX 66 GLU HN 5.50 (# 1139:10 Unique 3.07, 5.03 A)
&rst
ixpk= 1139, nxpk= 10, iat= -1, 999, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 989, 990, 991, 993, 994, 995,
&end
#
# 33 VAL MGY 65 LEU HN 4.50 (# 1140:10 Preassigned 2.64, 4.28 A)
&rst
ixpk= 1140, nxpk= 10, iat= -1, 980, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 515, 516, 517, 519, 520, 521,
&end
#
# 64 ARG HB- 67 ASP HN 2.80 (# 1141:10 Unique 2.32, 2.92 A)
&rst
ixpk= 1141, nxpk= 10, iat= -1,1014, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 960, 961,
&end
#
# 87 ARG HG+ 87 ARG HN 3.50 (# 1143:10 Unique 2.47, 3.59 A)
&rst
ixpk= 1143, nxpk= 10, iat= -1,1309, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1316,1317,
&end
#
# 105 LYS HB+ 105 LYS HN 2.80 (# 1144:10 Unique 2.35, 3.04 A)
&rst
ixpk= 1144, nxpk= 10, iat= -1,1597, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1601,1602,
&end
#
# 62 ARG HB- 100 VAL HN 7.00 (# 1145:10 Unique 5.92, 6.79 A)
&rst
ixpk= 1145, nxpk= 10, iat= -1,1518, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 921, 922,
&end
#
# 53 VAL HA 53 VAL HN 7.00 (# 1147:10 Unique 2.79, 2.93 A)
&rst
ixpk= 1147, nxpk= 10, iat= 785, 783, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 53 VAL HB 53 VAL HN 7.00 (# 1148:10 Unique 2.33, 3.30 A)
&rst
ixpk= 1148, nxpk= 10, iat= 787, 783, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 104 MET HG+ 105 LYS HN 7.00 (# 1149:10 Unique 4.05, 4.82 A)
&rst
ixpk= 1149, nxpk= 10, iat= -1,1597, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1587,1588,
&end
#
# 68 VAL MGX 69 VAL HN 4.50 (# 1150:10 Preassigned 3.33, 4.62 A)
&rst
ixpk= 1150, nxpk= 10, iat= -1,1042, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1032,1033,1034,1036,1037,1038,
&end
#
# 60 VAL MGY 59 GLU HN 5.50 (# 1153:10 Preassigned 5.45, 7.17 A)
&rst
ixpk= 1153, nxpk= 10, iat= -1, 864, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 885, 886, 887, 889, 890, 891,
&end
#
# 0 AMB 10-2:1154 23 HIS HN 7.00 (# 1154:10 Single Ambig)
&rst
ixpk= 1154, nxpk= 10, iat= -1, 352, r1= 0.00, r2= 1.80, r3= 9.15, r4= 9.90,
igr1= 270, 271, 233, 234, 235,
&end
#
# 15 GLU HB+ 16 ILE HN 7.00 (# 1155:10 Unique 3.04, 3.97 A)
&rst
ixpk= 1155, nxpk= 10, iat= -1, 227, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 216, 217,
&end
#
# 116 PHE HA 119 GLN HN 4.50 (# 1156:10 Unique 3.51, 3.92 A)
&rst
ixpk= 1156, nxpk= 10, iat=1780,1828, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 9 LYS HB- 9 LYS HN 3.50 (# 1157:10 Unique 2.39, 3.13 A)
&rst
ixpk= 1157, nxpk= 10, iat= -1, 119, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 123, 124,
&end
#
# 9 LYS HB+ 9 LYS HN 3.50 (# 1158:10 Unique 2.39, 3.13 A)
&rst
ixpk= 1158, nxpk= 10, iat= -1, 119, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 123, 124,
&end
#
# 91 VAL HA 95 SER HN 4.50 (# 1160:10 Unique 3.66, 3.74 A)
&rst
ixpk= 1160, nxpk= 10, iat=1380,1443, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 76 VAL MGY 13 LEU HN 4.50 (# 1161:10 Unique 3.20, 5.28 A)
&rst
ixpk= 1161, nxpk= 10, iat= -1, 174, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1145,1146,1147,1149,1150,1151,
&end
#
# 84 TYR HA 85 GLN HE2+ 5.50 (# 1162:10 Unique 3.26, 5.71 A)
&rst
ixpk= 1162, nxpk= 10, iat=1259, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1290,1291,
&end
#
# 84 TYR HA 85 GLN HE2- 5.50 (# 1163:10 Unique 3.26, 5.71 A)
&rst
ixpk= 1163, nxpk= 10, iat=1259, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1290,1291,
&end
#
# 64 ARG HN 63 GLU HN 7.00 (# 1164:10 Unique 4.30, 4.38 A)
&rst
ixpk= 1164, nxpk= 10, iat= 956, 941, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 0 AMB 10-2:1165 121 ARG HN 5.50 (# 1165:10 Single Ambig)
&rst
ixpk= 1165, nxpk= 10, iat= -1,1864, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1830,1800,
&end
#
# 44 GLY HA+ 45 ALA HN 4.50 (# 1166:10 Unique 2.15, 3.05 A)
&rst
ixpk= 1166, nxpk= 10, iat= -1, 686, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 681, 682,
&end
#
# 0 AMB 10-2:1167 65 LEU HN 7.00 (# 1167:10 Single Ambig)
&rst
ixpk= 1167, nxpk= 10, iat= -1, 980, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
1037,1038,
&end
#
# 84 TYR HA 85 GLN HN 2.80 (# 1168:10 Unique 2.26, 2.42 A)
&rst
ixpk= 1168, nxpk= 10, iat=1259,1278, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:1171 28 ILE HN 3.50 (# 1171:10 Single Ambig)
&rst
ixpk= 1171, nxpk= 10, iat= -1, 443, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 515, 516, 517, 519, 520, 521, 538, 539, 540,
&end
#
# 68 VAL MGY 69 VAL HN 4.50 (# 1174:10 Preassigned 3.33, 4.62 A)
&rst
ixpk= 1174, nxpk= 10, iat= -1,1042, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1032,1033,1034,1036,1037,1038,
&end
#
# 11 GLY HA- 12 ASP HN 5.50 (# 1177:10 Unique 3.21, 3.36 A)
&rst
ixpk= 1177, nxpk= 10, iat= -1, 162, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 157, 158,
&end
#
# 120 LEU HG 120 LEU HN 5.50 (# 1178:10 Unique 2.05, 2.25 A)
&rst
ixpk= 1178, nxpk= 10, iat=1852,1845, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1179 96 ALA HN 5.50 (# 1179:10 Single Ambig)
&rst
ixpk= 1179, nxpk= 10, iat= -1,1454, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1400,1401,1402, 412, 413, 414, 416, 417, 418,
&end
#
# 59 GLU HG+ 102 GLN HN 5.50 (# 1180:10 Unique 4.11, 4.75 A)
&rst
ixpk= 1180, nxpk= 10, iat= -1,1541, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 871, 872,
&end
#
# 64 ARG HB- 65 LEU HN 3.50 (# 1181:10 Unique 3.15, 3.76 A)
&rst
ixpk= 1181, nxpk= 10, iat= -1, 980, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 960, 961,
&end
#
# 64 ARG HB+ 65 LEU HN 4.50 (# 1182:10 Unique 3.15, 3.76 A)
&rst
ixpk= 1182, nxpk= 10, iat= -1, 980, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 960, 961,
&end
#
# 34 ILE QD1 100 VAL HN 4.50 (# 1183:10 Preassigned 3.72, 4.91 A)
&rst
ixpk= 1183, nxpk= 10, iat= -1,1518, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 538, 539, 540,
&end
#
# 0 AMB 10-2:1184 95 SER HN 7.00 (# 1184:10 Single Ambig)
&rst
ixpk= 1184, nxpk= 10, iat= -1,1443, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1456,1866,
&end
#
# 86 PRO HG+ 87 ARG HN 5.50 (# 1185:10 Preassigned 4.50, 5.15 A)
&rst
ixpk= 1185, nxpk= 10, iat= -1,1309, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1299,1300,
&end
#
# 26 LEU MDY 26 LEU HN 4.50 (# 1186:10 Preassigned 4.52, 5.22 A)
&rst
ixpk= 1186, nxpk= 10, iat= -1, 403, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 412, 413, 414, 416, 417, 418,
&end
#
# 26 LEU HB+ 26 LEU HN 4.50 (# 1187:10 Unique 2.39, 2.63 A)
&rst
ixpk= 1187, nxpk= 10, iat= -1, 403, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 407, 408,
&end
#
# 0 AMB 10-2:1188 27 TYR HN 4.50 (# 1188:10 Single Ambig)
&rst
ixpk= 1188, nxpk= 10, iat= -1, 422, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 515, 516, 517, 519, 520, 521, 449, 450, 451,
&end
#
# 12 ASP HB+ 13 LEU HN 5.50 (# 1189:10 Unique 2.56, 3.43 A)
&rst
ixpk= 1189, nxpk= 10, iat= -1, 174, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 166, 167,
&end
#
# 92 ILE HG1+ 91 VAL HN 5.50 (# 1190:10 Unique 3.89, 4.76 A)
&rst
ixpk= 1190, nxpk= 10, iat= -1,1378, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1404,1405,
&end
#
# 117 VAL MGX 14 ILE HN 5.50 (# 1191:10 Unique 3.72, 5.55 A)
&rst
ixpk= 1191, nxpk= 10, iat= -1, 193, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1804,1805,1806,1808,1809,1810,
&end
#
# 68 VAL MGY 63 GLU HN 5.50 (# 1192:10 Preassigned 3.51, 5.83 A)
&rst
ixpk= 1192, nxpk= 10, iat= -1, 941, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1032,1033,1034,1036,1037,1038,
&end
#
# 26 LEU MDY 27 TYR HN 5.50 (# 1193:10 Preassigned 2.63, 4.08 A)
&rst
ixpk= 1193, nxpk= 10, iat= -1, 422, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 412, 413, 414, 416, 417, 418,
&end
#
# 62 ARG HG- 62 ARG HN 4.50 (# 1194:10 Preassigned 4.29, 4.57 A)
&rst
ixpk= 1194, nxpk= 10, iat= -1, 917, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 924, 925,
&end
#
# 89 VAL HA 93 ILE HN 4.50 (# 1195:10 Unique 3.86, 3.98 A)
&rst
ixpk= 1195, nxpk= 10, iat=1349,1413, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 98 GLU HA 97 LYS HN 7.00 (# 1196:10 Unique 5.42, 5.44 A)
&rst
ixpk= 1196, nxpk= 10, iat=1488,1464, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
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