NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
487312 |
2kml   |
cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 115 THR HG1 58 LEU HN 3.50 (# 0:10 Unique 3.53, 3.64 A)
&rst
ixpk= 0, nxpk= 10, iat=1802, 886, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 57 HIS HA 58 LEU HN 2.80 (# 1:10 Unique 2.14, 2.14 A)
&rst
ixpk= 1, nxpk= 10, iat= 871, 886, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 58 LEU HB+ 58 LEU HN 3.50 (# 2:10 Unique 2.54, 2.83 A)
&rst
ixpk= 2, nxpk= 10, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 890, 891,
&end
#
# 51 ASP HN 50 GLY HN 3.50 (# 3:10 Unique 2.60, 2.75 A)
&rst
ixpk= 3, nxpk= 10, iat= 780, 773, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:4 50 GLY HN 2.80 (# 4:10 Single Ambig)
&rst
ixpk= 4, nxpk= 10, iat= -1, 773, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 775, 776, 775, 776,
&end
#
# 49 LEU HB+ 50 GLY HN 3.50 (# 5:10 Unique 1.98, 2.78 A)
&rst
ixpk= 5, nxpk= 10, iat= -1, 773, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 758, 759,
&end
#
# 0 AMB 10-2:6 120 ILE HN 2.80 (# 6:10 Single Ambig)
&rst
ixpk= 6, nxpk= 10, iat= -1,1864, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1850,1866,
&end
#
# 120 ILE HB 120 ILE HN 3.50 (# 7:10 Unique 2.63, 2.76 A)
&rst
ixpk= 7, nxpk= 10, iat=1868,1864, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:8 120 ILE HN 2.80 (# 8:10 Single Ambig)
&rst
ixpk= 8, nxpk= 10, iat= -1,1864, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1874,1875,1874,1875,
&end
#
# 0 AMB 10-2:9 120 ILE HN 2.80 (# 9:10 Single Ambig)
&rst
ixpk= 9, nxpk= 10, iat= -1,1864, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1854,1855,1856,1858,1859,1860,1877,1878,1879,
&end
#
# 61 ALA MB 61 ALA HN 2.80 (# 10:10 Unique 2.44, 3.19 A)
&rst
ixpk= 10, nxpk= 10, iat= -1, 943, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 947, 948, 949,
&end
#
# 60 ILE MG2 61 ALA HN 2.80 (# 11:10 Unique 1.93, 3.05 A)
&rst
ixpk= 11, nxpk= 10, iat= -1, 943, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 930, 931, 932,
&end
#
# 60 ILE HA 61 ALA HN 2.80 (# 12:10 Unique 2.16, 2.21 A)
&rst
ixpk= 12, nxpk= 10, iat= 926, 943, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 32 LEU HA 32 LEU HN 4.50 (# 13:10 Unique 2.87, 2.89 A)
&rst
ixpk= 13, nxpk= 10, iat= 513, 511, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 ILE HA 32 LEU HN 2.80 (# 14:10 Unique 2.15, 2.16 A)
&rst
ixpk= 14, nxpk= 10, iat= 494, 511, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 32 LEU HB+ 32 LEU HN 2.80 (# 15:10 Unique 2.41, 3.01 A)
&rst
ixpk= 15, nxpk= 10, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 515, 516,
&end
#
# 0 AMB 10-2:16 32 LEU HN 4.50 (# 16:10 Single Ambig)
&rst
ixpk= 16, nxpk= 10, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 518,2424,2425,
&end
#
# 32 LEU HB- 32 LEU HN 3.50 (# 17:10 Unique 2.41, 3.01 A)
&rst
ixpk= 17, nxpk= 10, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 515, 516,
&end
#
# 0 AMB 10-2:18 32 LEU HN 2.80 (# 18:10 Single Ambig)
&rst
ixpk= 18, nxpk= 10, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 498, 499, 500, 505, 506, 507,
&end
#
# 0 AMB 10-2:19 32 LEU HN 3.50 (# 19:10 Single Ambig)
&rst
ixpk= 19, nxpk= 10, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 520, 521, 522, 524, 525, 526, 520, 521, 522, 524,
525, 526,
&end
#
# 58 LEU HA 59 ILE HN 2.80 (# 20:10 Unique 2.16, 2.25 A)
&rst
ixpk= 20, nxpk= 10, iat= 888, 905, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:21 59 ILE HN 3.50 (# 21:10 Single Ambig)
&rst
ixpk= 21, nxpk= 10, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 893, 909,
&end
#
# 58 LEU MDX 59 ILE HN 2.80 (# 22:10 Unique 2.20, 4.21 A)
&rst
ixpk= 22, nxpk= 10, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 895, 896, 897, 899, 900, 901,
&end
#
# 5 VAL HA 6 LEU HN 2.80 (# 23:10 Unique 2.14, 2.16 A)
&rst
ixpk= 23, nxpk= 10, iat= 85, 99, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 6 LEU HB+ 6 LEU HN 3.50 (# 24:10 Unique 2.08, 2.77 A)
&rst
ixpk= 24, nxpk= 10, iat= -1, 99, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 103, 104,
&end
#
# 0 AMB 10-2:25 0 AMB 10-1:25 2.80 (# 25:10 Double Ambig)
&rst
ixpk= 25, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 101,1202,
igr2= 99,1806,
&end
#
# 115 THR HA 116 LEU HN 2.80 (# 26:10 Unique 2.15, 2.25 A)
&rst
ixpk= 26, nxpk= 10, iat=1794,1806, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:27 0 AMB 10-1:27 3.50 (# 27:10 Double Ambig)
&rst
ixpk= 27, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1810,1811, 934, 935,
igr2=1806, 99,
&end
#
# 0 AMB 10-2:28 0 AMB 10-1:28 3.50 (# 28:10 Double Ambig)
&rst
ixpk= 28, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1185,1186,1780, 909,1813,
igr2=1806, 99,
&end
#
# 0 AMB 10-2:29 0 AMB 10-1:29 3.50 (# 29:10 Double Ambig)
&rst
ixpk= 29, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 89, 90, 91, 93, 94, 95, 911, 912, 913,
igr2= 99,1806,
&end
#
# 0 AMB 10-2:30 0 AMB 10-1:30 3.50 (# 30:10 Double Ambig)
&rst
ixpk= 30, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.68, r4= 8.18,
igr1=1815,1816,1817,1819,1820,1821,1168,1169,1170, 915,
916, 937, 938, 939, 744, 745, 746, 748, 749, 750,
744, 745, 746, 748, 749, 750,1190,1191,1192,1194,
1195,1196,1190,1191,1192,1194,1195,1196,2248,2249,
2250,2252,2253,2254, 636, 637, 638, 640, 641, 642,
131, 132, 133, 135, 136, 137,
igr2=1806, 99,
&end
#
# 115 THR MG2 116 LEU HN 2.80 (# 31:10 Unique 2.39, 3.36 A)
&rst
ixpk= 31, nxpk= 10, iat= -1,1806, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1798,1799,1800,
&end
#
# 6 LEU HA 39 LEU HN 3.50 (# 32:10 Unique 3.17, 3.32 A)
&rst
ixpk= 32, nxpk= 10, iat= 101, 627, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 38 ILE HA 39 LEU HN 2.80 (# 33:10 Unique 2.14, 2.14 A)
&rst
ixpk= 33, nxpk= 10, iat= 610, 627, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 39 LEU HA 39 LEU HN 4.50 (# 34:10 Unique 2.93, 2.94 A)
&rst
ixpk= 34, nxpk= 10, iat= 629, 627, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:35 39 LEU HN 3.50 (# 35:10 Single Ambig)
&rst
ixpk= 35, nxpk= 10, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 631, 632, 612,
&end
#
# 39 LEU HB- 39 LEU HN 3.50 (# 36:10 Unique 2.43, 2.68 A)
&rst
ixpk= 36, nxpk= 10, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 631, 632,
&end
#
# 0 AMB 10-2:37 39 LEU HN 3.50 (# 37:10 Single Ambig)
&rst
ixpk= 37, nxpk= 10, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 361, 362, 363, 365, 366, 367, 636, 637, 638, 640,
641, 642, 108, 109, 110, 112, 113, 114,
&end
#
# 0 AMB 10-2:38 39 LEU HN 2.80 (# 38:10 Single Ambig)
&rst
ixpk= 38, nxpk= 10, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 73, 74, 75, 77, 78, 79, 614, 615, 616, 636,
637, 638, 640, 641, 642,
&end
#
# 113 LYS HA 114 LEU HN 2.80 (# 39:10 Unique 2.14, 2.15 A)
&rst
ixpk= 39, nxpk= 10, iat=1753,1773, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 114 LEU HB+ 114 LEU HN 3.50 (# 40:10 Unique 2.24, 2.84 A)
&rst
ixpk= 40, nxpk= 10, iat= -1,1773, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1777,1778,
&end
#
# 0 AMB 10-2:41 114 LEU HN 3.50 (# 41:10 Single Ambig)
&rst
ixpk= 41, nxpk= 10, iat= -1,1773, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1777,1778,1758,1759,
&end
#
# 125 GLU HN 124 LEU HN 2.80 (# 42:10 Unique 2.70, 2.87 A)
&rst
ixpk= 42, nxpk= 10, iat=1942,1923, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 124 LEU HA 124 LEU HN 3.50 (# 43:10 Unique 2.27, 2.34 A)
&rst
ixpk= 43, nxpk= 10, iat=1925,1923, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:44 124 LEU HN 3.50 (# 44:10 Single Ambig)
&rst
ixpk= 44, nxpk= 10, iat= -1,1923, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1927,1928,1890,1891,
&end
#
# 0 AMB 10-2:45 124 LEU HN 2.80 (# 45:10 Single Ambig)
&rst
ixpk= 45, nxpk= 10, iat= -1,1923, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1=1927,1928,2039,2040,2041,
&end
#
# 0 AMB 10-2:46 124 LEU HN 3.50 (# 46:10 Single Ambig)
&rst
ixpk= 46, nxpk= 10, iat= -1,1923, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1932,1933,1934,1936,1937,1938,1932,1933,1934,1936,
1937,1938,2081,2082,2083,2085,2086,2087,2081,2082,
2083,2085,2086,2087,
&end
#
# 76 ILE HA 77 LEU HN 2.80 (# 47:10 Unique 2.14, 2.16 A)
&rst
ixpk= 47, nxpk= 10, iat=1164,1181, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 77 LEU HB+ 77 LEU HN 3.50 (# 48:10 Unique 2.17, 2.92 A)
&rst
ixpk= 48, nxpk= 10, iat= -1,1181, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1185,1186,
&end
#
# 0 AMB 10-2:49 77 LEU HN 2.80 (# 49:10 Single Ambig)
&rst
ixpk= 49, nxpk= 10, iat= -1,1181, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1168,1169,1170,1190,1191,1192,1194,1195,1196,1190,
1191,1192,1194,1195,1196,
&end
#
# 155 GLU HA 155 GLU HN 3.50 (# 50:10 Unique 2.85, 2.86 A)
&rst
ixpk= 50, nxpk= 10, iat=2391,2389, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 154 VAL HA 155 GLU HN 2.80 (# 51:10 Unique 2.18, 2.32 A)
&rst
ixpk= 51, nxpk= 10, iat=2375,2389, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 155 GLU HB+ 155 GLU HN 3.50 (# 52:10 Unique 2.26, 2.71 A)
&rst
ixpk= 52, nxpk= 10, iat= -1,2389, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2393,2394,
&end
#
# 0 AMB 10-2:53 155 GLU HN 2.80 (# 53:10 Single Ambig)
&rst
ixpk= 53, nxpk= 10, iat= -1,2389, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=2377,2393,2394,
&end
#
# 154 VAL MGX 155 GLU HN 2.80 (# 54:10 Unique 1.87, 4.46 A)
&rst
ixpk= 54, nxpk= 10, iat= -1,2389, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=2379,2380,2381,2383,2384,2385,
&end
#
# 154 VAL MGY 155 GLU HN 4.50 (# 55:10 Unique 1.87, 4.46 A)
&rst
ixpk= 55, nxpk= 10, iat= -1,2389, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2379,2380,2381,2383,2384,2385,
&end
#
# 0 AMB 10-2:56 4 LEU HN 3.50 (# 56:10 Single Ambig)
&rst
ixpk= 56, nxpk= 10, iat= -1, 64, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 51, 52, 53, 895, 896, 897, 899, 900, 901,
&end
#
# 3 ILE HA 4 LEU HN 2.80 (# 57:10 Unique 2.16, 2.19 A)
&rst
ixpk= 57, nxpk= 10, iat= 47, 64, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 61 ALA HA 117 VAL HN 4.50 (# 58:10 Unique 2.76, 2.86 A)
&rst
ixpk= 58, nxpk= 10, iat= 945,1825, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 116 LEU HA 117 VAL HN 2.80 (# 59:10 Unique 2.14, 2.15 A)
&rst
ixpk= 59, nxpk= 10, iat=1808,1825, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 117 VAL HB 117 VAL HN 3.50 (# 60:10 Unique 2.30, 2.34 A)
&rst
ixpk= 60, nxpk= 10, iat=1829,1825, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:61 117 VAL HN 4.50 (# 61:10 Single Ambig)
&rst
ixpk= 61, nxpk= 10, iat= -1,1825, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1813,1185,1186, 909,
&end
#
# 0 AMB 10-2:62 117 VAL HN 2.80 (# 62:10 Single Ambig)
&rst
ixpk= 62, nxpk= 10, iat= -1,1825, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1815,1816,1817,1819,1820,1821,1831,1832,1833,1835,
1836,1837,
&end
#
# 0 AMB 10-2:63 117 VAL HN 2.80 (# 63:10 Single Ambig)
&rst
ixpk= 63, nxpk= 10, iat= -1,1825, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1815,1816,1817,1819,1820,1821,1831,1832,1833,1835,
1836,1837,
&end
#
# 4 LEU HA 5 VAL HN 2.80 (# 64:10 Unique 2.14, 2.14 A)
&rst
ixpk= 64, nxpk= 10, iat= 66, 83, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 38 ILE HA 5 VAL HN 4.50 (# 65:10 Unique 2.64, 2.84 A)
&rst
ixpk= 65, nxpk= 10, iat= 610, 83, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:66 5 VAL HN 3.50 (# 66:10 Single Ambig)
&rst
ixpk= 66, nxpk= 10, iat= -1, 83, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 87, 597, 598, 597, 598,
&end
#
# 0 AMB 10-2:67 5 VAL HN 2.80 (# 67:10 Single Ambig)
&rst
ixpk= 67, nxpk= 10, iat= -1, 83, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 73, 74, 75, 77, 78, 79, 614, 615, 616,
&end
#
# 5 VAL MGX 5 VAL HN 2.80 (# 68:10 Unique 1.74, 3.17 A)
&rst
ixpk= 68, nxpk= 10, iat= -1, 83, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 89, 90, 91, 93, 94, 95,
&end
#
# 155 GLU HA 156 ALA HN 2.80 (# 69:10 Unique 2.19, 2.24 A)
&rst
ixpk= 69, nxpk= 10, iat=2391,2404, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 155 GLU HB+ 156 ALA HN 4.50 (# 70:10 Unique 4.38, 4.49 A)
&rst
ixpk= 70, nxpk= 10, iat= -1,2404, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2393,2394,
&end
#
# 150 ARG HG- 156 ALA HN 4.50 (# 71:10 Unique 1.86, 4.99 A)
&rst
ixpk= 71, nxpk= 10, iat= -1,2404, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2323,2324,
&end
#
# 156 ALA MB 156 ALA HN 2.80 (# 72:10 Unique 2.22, 2.90 A)
&rst
ixpk= 72, nxpk= 10, iat= -1,2404, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=2408,2409,2410,
&end
#
# 4 LEU HA 37 GLU HN 4.50 (# 73:10 Unique 2.56, 2.66 A)
&rst
ixpk= 73, nxpk= 10, iat= 66, 593, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 37 GLU HA 37 GLU HN 4.50 (# 74:10 Unique 2.92, 2.94 A)
&rst
ixpk= 74, nxpk= 10, iat= 595, 593, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 36 VAL HA 37 GLU HN 2.80 (# 75:10 Unique 2.14, 2.15 A)
&rst
ixpk= 75, nxpk= 10, iat= 579, 593, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:76 37 GLU HN 2.80 (# 76:10 Single Ambig)
&rst
ixpk= 76, nxpk= 10, iat= -1, 593, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 597, 598, 597, 598,
&end
#
# 4 LEU MDX 37 GLU HN 3.50 (# 77:10 Unique 2.11, 4.07 A)
&rst
ixpk= 77, nxpk= 10, iat= -1, 593, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 73, 74, 75, 77, 78, 79,
&end
#
# 0 AMB 10-2:78 37 GLU HN 2.80 (# 78:10 Single Ambig)
&rst
ixpk= 78, nxpk= 10, iat= -1, 593, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 583, 584, 585, 587, 588, 589, 583, 584, 585, 587,
588, 589,
&end
#
# 116 LEU HA 60 ILE HN 3.50 (# 79:10 Unique 2.44, 2.53 A)
&rst
ixpk= 79, nxpk= 10, iat=1808, 924, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 59 ILE HA 60 ILE HN 2.80 (# 80:10 Unique 2.14, 2.16 A)
&rst
ixpk= 80, nxpk= 10, iat= 907, 924, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:81 60 ILE HN 3.50 (# 81:10 Single Ambig)
&rst
ixpk= 81, nxpk= 10, iat= -1, 924, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 928, 893,
&end
#
# 0 AMB 10-2:82 60 ILE HN 2.80 (# 82:10 Single Ambig)
&rst
ixpk= 82, nxpk= 10, iat= -1, 924, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1782,1783,1784,1786,1787,1788,1782,1783,1784,1786,
1787,1788,1815,1816,1817,1819,1820,1821, 930, 931,
932, 915, 916,
&end
#
# 59 ILE MG2 60 ILE HN 3.50 (# 83:10 Unique 2.98, 4.02 A)
&rst
ixpk= 83, nxpk= 10, iat= -1, 924, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 911, 912, 913,
&end
#
# 62 ASP HA 63 ALA HN 2.80 (# 84:10 Unique 2.21, 2.38 A)
&rst
ixpk= 84, nxpk= 10, iat= 955, 965, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 63 ALA MB 63 ALA HN 2.80 (# 85:10 Unique 2.10, 2.98 A)
&rst
ixpk= 85, nxpk= 10, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 969, 970, 971,
&end
#
# 0 AMB 10-2:86 63 ALA HN 4.50 (# 86:10 Single Ambig)
&rst
ixpk= 86, nxpk= 10, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 276, 277, 278, 985, 986,
&end
#
# 16 GLU HN 15 ASP HN 3.50 (# 87:10 Unique 2.63, 2.81 A)
&rst
ixpk= 87, nxpk= 10, iat= 245, 233, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 14 THR HB 15 ASP HN 2.80 (# 88:10 Unique 1.64, 1.75 A)
&rst
ixpk= 88, nxpk= 10, iat= 223, 233, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 15 ASP HB+ 15 ASP HN 3.50 (# 89:10 Unique 2.64, 3.18 A)
&rst
ixpk= 89, nxpk= 10, iat= -1, 233, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 237, 238,
&end
#
# 0 AMB 10-2:90 15 ASP HN 2.80 (# 90:10 Single Ambig)
&rst
ixpk= 90, nxpk= 10, iat= -1, 233, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 225, 226, 227,2039,2040,2041,
&end
#
# 0 AMB 10-2:91 15 ASP HN 3.50 (# 91:10 Single Ambig)
&rst
ixpk= 91, nxpk= 10, iat= -1, 233, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1932,1933,1934,1936,1937,1938,1932,1933,1934,1936,
1937,1938,2023,2024,2025,2027,2028,2029,2081,2082,
2083,2085,2086,2087,2081,2082,2083,2085,2086,2087,
&end
#
# 74 MET HA 74 MET HN 4.50 (# 92:10 Unique 2.89, 2.91 A)
&rst
ixpk= 92, nxpk= 10, iat=1130,1128, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 73 THR HA 74 MET HN 2.80 (# 93:10 Unique 2.15, 2.20 A)
&rst
ixpk= 93, nxpk= 10, iat=1116,1128, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 73 THR HB 74 MET HN 4.50 (# 94:10 Unique 4.24, 4.33 A)
&rst
ixpk= 94, nxpk= 10, iat=1118,1128, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:95 74 MET HN 2.80 (# 95:10 Single Ambig)
&rst
ixpk= 95, nxpk= 10, iat= -1,1128, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1=2127,2128,2129,1132,1133,
&end
#
# 74 MET HB- 74 MET HN 3.50 (# 96:10 Unique 2.21, 2.67 A)
&rst
ixpk= 96, nxpk= 10, iat= -1,1128, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1132,1133,
&end
#
# 73 THR MG2 74 MET HN 2.80 (# 97:10 Unique 2.65, 3.73 A)
&rst
ixpk= 97, nxpk= 10, iat= -1,1128, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1120,1121,1122,
&end
#
# 104 LEU HN 103 ALA HN 3.50 (# 98:10 Unique 2.39, 2.55 A)
&rst
ixpk= 98, nxpk= 10, iat=1596,1586, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 102 SER HN 103 ALA HN 2.80 (# 99:10 Unique 2.48, 2.71 A)
&rst
ixpk= 99, nxpk= 10, iat=1575,1586, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 103 ALA HA 103 ALA HN 2.80 (# 100:10 Unique 2.82, 2.85 A)
&rst
ixpk= 100, nxpk= 10, iat=1588,1586, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 102 SER HB- 103 ALA HN 3.50 (# 101:10 Unique 2.73, 3.12 A)
&rst
ixpk= 101, nxpk= 10, iat= -1,1586, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1579,1580,
&end
#
# 103 ALA MB 103 ALA HN 2.80 (# 102:10 Unique 2.08, 2.89 A)
&rst
ixpk= 102, nxpk= 10, iat= -1,1586, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1590,1591,1592,
&end
#
# 109 GLU HN 110 PHE HN 2.80 (# 104:10 Unique 1.93, 2.63 A)
&rst
ixpk= 104, nxpk= 10, iat=1680,1695, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 110 PHE HD 110 PHE HN 4.50 (# 105:10 Unique 2.85, 4.28 A)
&rst
ixpk= 105, nxpk= 10, iat= -1,1695, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1703,1711,
&end
#
# 109 GLU HA 110 PHE HN 4.50 (# 106:10 Unique 2.60, 3.28 A)
&rst
ixpk= 106, nxpk= 10, iat=1682,1695, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:107 110 PHE HN 2.80 (# 107:10 Single Ambig)
&rst
ixpk= 107, nxpk= 10, iat= -1,1695, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1697,1675,1676,
&end
#
# 110 PHE HB- 110 PHE HN 2.80 (# 108:10 Unique 2.08, 2.74 A)
&rst
ixpk= 108, nxpk= 10, iat= -1,1695, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1699,1700,
&end
#
# 110 PHE HB+ 110 PHE HN 2.80 (# 109:10 Unique 2.08, 2.74 A)
&rst
ixpk= 109, nxpk= 10, iat= -1,1695, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1699,1700,
&end
#
# 0 AMB 10-2:110 110 PHE HN 4.50 (# 110:10 Single Ambig)
&rst
ixpk= 110, nxpk= 10, iat= -1,1695, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1684,1685,1600,1601,1687,1688,
&end
#
# 2 ARG HA 3 ILE HN 2.80 (# 112:10 Unique 2.15, 2.19 A)
&rst
ixpk= 112, nxpk= 10, iat= 23, 45, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:113 3 ILE HN 2.80 (# 113:10 Single Ambig)
&rst
ixpk= 113, nxpk= 10, iat= -1, 45, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 49, 25, 26,
&end
#
# 0 AMB 10-2:114 3 ILE HN 3.50 (# 114:10 Single Ambig)
&rst
ixpk= 114, nxpk= 10, iat= -1, 45, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 55, 56, 840, 841,
&end
#
# 43 THR HN 44 ALA HN 2.80 (# 115:10 Unique 2.59, 2.67 A)
&rst
ixpk= 115, nxpk= 10, iat= 672, 686, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 43 THR HA 44 ALA HN 3.50 (# 116:10 Unique 2.75, 2.85 A)
&rst
ixpk= 116, nxpk= 10, iat= 674, 686, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:117 44 ALA HN 2.80 (# 117:10 Single Ambig)
&rst
ixpk= 117, nxpk= 10, iat= -1, 686, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 688, 660, 661,
&end
#
# 42 GLY HA- 44 ALA HN 4.50 (# 118:10 Unique 3.81, 4.40 A)
&rst
ixpk= 118, nxpk= 10, iat= -1, 686, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 667, 668,
&end
#
# 44 ALA MB 44 ALA HN 2.80 (# 119:10 Unique 2.15, 2.96 A)
&rst
ixpk= 119, nxpk= 10, iat= -1, 686, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 690, 691, 692,
&end
#
# 0 AMB 10-2:120 44 ALA HN 3.50 (# 120:10 Single Ambig)
&rst
ixpk= 120, nxpk= 10, iat= -1, 686, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 131, 132, 133, 135, 136, 137, 131, 132, 133, 135,
136, 137,
&end
#
# 35 TYR HN 36 VAL HN 2.80 (# 121:10 Unique 2.54, 2.66 A)
&rst
ixpk= 121, nxpk= 10, iat= 556, 577, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:122 36 VAL HN 3.50 (# 122:10 Single Ambig)
&rst
ixpk= 122, nxpk= 10, iat= -1, 577, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 579, 546,
&end
#
# 36 VAL HB 36 VAL HN 2.80 (# 123:10 Unique 2.41, 2.46 A)
&rst
ixpk= 123, nxpk= 10, iat= 581, 577, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 36 VAL MGY 36 VAL HN 2.80 (# 124:10 Unique 2.70, 4.02 A)
&rst
ixpk= 124, nxpk= 10, iat= -1, 577, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 583, 584, 585, 587, 588, 589,
&end
#
# 39 LEU HA 40 ASP HN 2.80 (# 125:10 Unique 2.14, 2.15 A)
&rst
ixpk= 125, nxpk= 10, iat= 629, 646, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 40 ASP HB+ 40 ASP HN 2.80 (# 126:10 Unique 2.34, 3.25 A)
&rst
ixpk= 126, nxpk= 10, iat= -1, 646, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 650, 651,
&end
#
# 0 AMB 10-2:127 128 ILE HN 2.80 (# 127:10 Single Ambig)
&rst
ixpk= 127, nxpk= 10, iat= -1,1988, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1973,1990,
&end
#
# 0 AMB 10-2:128 128 ILE HN 2.80 (# 128:10 Single Ambig)
&rst
ixpk= 128, nxpk= 10, iat= -1,1988, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1998,1999,1992,
&end
#
# 128 ILE HG1- 128 ILE HN 3.50 (# 129:10 Unique 1.98, 3.18 A)
&rst
ixpk= 129, nxpk= 10, iat= -1,1988, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1998,1999,
&end
#
# 0 AMB 10-2:130 128 ILE HN 3.50 (# 130:10 Single Ambig)
&rst
ixpk= 130, nxpk= 10, iat= -1,1988, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1994,1995,1996, 209, 210, 211, 213, 214, 215,
&end
#
# 114 LEU HA 115 THR HN 2.80 (# 131:10 Unique 2.14, 2.17 A)
&rst
ixpk= 131, nxpk= 10, iat=1775,1792, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:132 115 THR HN 3.50 (# 132:10 Single Ambig)
&rst
ixpk= 132, nxpk= 10, iat= -1,1792, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1782,1783,1784,1786,1787,1788,1782,1783,1784,1786,
1787,1788,
&end
#
# 40 ASP HB- 40 ASP HN 2.80 (# 133:10 Unique 2.34, 3.25 A)
&rst
ixpk= 133, nxpk= 10, iat= -1, 646, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 650, 651,
&end
#
# 39 LEU MDX 40 ASP HN 2.80 (# 134:10 Unique 2.01, 3.64 A)
&rst
ixpk= 134, nxpk= 10, iat= -1, 646, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 636, 637, 638, 640, 641, 642,
&end
#
# 118 GLY HN 75 MET HN 3.50 (# 135:10 Unique 2.75, 3.16 A)
&rst
ixpk= 135, nxpk= 10, iat=1841,1145, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 119 VAL HA 75 MET HN 4.50 (# 136:10 Unique 2.92, 3.30 A)
&rst
ixpk= 136, nxpk= 10, iat=1850,1145, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 146 LEU HN 145 VAL HN 2.80 (# 137:10 Unique 2.85, 2.89 A)
&rst
ixpk= 137, nxpk= 10, iat=2258,2242, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 142 LEU HA 145 VAL HN 3.50 (# 138:10 Unique 3.37, 3.63 A)
&rst
ixpk= 138, nxpk= 10, iat=2193,2242, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 145 VAL HA 145 VAL HN 3.50 (# 139:10 Unique 2.75, 2.76 A)
&rst
ixpk= 139, nxpk= 10, iat=2244,2242, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 145 VAL HB 145 VAL HN 2.80 (# 140:10 Unique 2.65, 2.72 A)
&rst
ixpk= 140, nxpk= 10, iat=2246,2242, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 144 GLN HN 145 VAL HN 3.50 (# 141:10 Unique 2.70, 2.80 A)
&rst
ixpk= 141, nxpk= 10, iat=2225,2242, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 144 GLN HB- 145 VAL HN 3.50 (# 142:10 Unique 2.23, 2.95 A)
&rst
ixpk= 142, nxpk= 10, iat= -1,2242, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2229,2230,
&end
#
# 145 VAL MGX 145 VAL HN 3.50 (# 143:10 Unique 2.04, 3.63 A)
&rst
ixpk= 143, nxpk= 10, iat= -1,2242, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2248,2249,2250,2252,2253,2254,
&end
#
# 145 VAL MGY 145 VAL HN 2.80 (# 144:10 Unique 2.04, 3.63 A)
&rst
ixpk= 144, nxpk= 10, iat= -1,2242, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=2248,2249,2250,2252,2253,2254,
&end
#
# 74 MET HA 75 MET HN 2.80 (# 145:10 Unique 2.15, 2.23 A)
&rst
ixpk= 145, nxpk= 10, iat=1130,1145, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 75 MET HA 75 MET HN 4.50 (# 146:10 Unique 2.92, 2.94 A)
&rst
ixpk= 146, nxpk= 10, iat=1147,1145, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 74 MET HG- 75 MET HN 3.50 (# 147:10 Unique 2.18, 2.89 A)
&rst
ixpk= 147, nxpk= 10, iat= -1,1145, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1135,1136,
&end
#
# 74 MET HG+ 75 MET HN 3.50 (# 148:10 Unique 2.18, 2.89 A)
&rst
ixpk= 148, nxpk= 10, iat= -1,1145, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1135,1136,
&end
#
# 0 AMB 10-2:149 75 MET HN 3.50 (# 149:10 Single Ambig)
&rst
ixpk= 149, nxpk= 10, iat= -1,1145, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=2127,2128,2129,1152,1153,
&end
#
# 75 MET HB+ 75 MET HN 4.50 (# 150:10 Unique 2.42, 3.01 A)
&rst
ixpk= 150, nxpk= 10, iat= -1,1145, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1149,1150,
&end
#
# 75 MET HB- 75 MET HN 3.50 (# 151:10 Unique 2.42, 3.01 A)
&rst
ixpk= 151, nxpk= 10, iat= -1,1145, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1149,1150,
&end
#
# 0 AMB 10-2:152 75 MET HN 3.50 (# 152:10 Single Ambig)
&rst
ixpk= 152, nxpk= 10, iat= -1,1145, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 988, 989, 990,1854,1855,1856,1858,1859,1860,
&end
#
# 47 GLU HN 46 MET HN 4.50 (# 153:10 Unique 2.16, 2.48 A)
&rst
ixpk= 153, nxpk= 10, iat= 720, 703, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 46 MET HA 46 MET HN 3.50 (# 154:10 Unique 2.27, 2.77 A)
&rst
ixpk= 154, nxpk= 10, iat= 705, 703, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:155 46 MET HN 2.80 (# 155:10 Single Ambig)
&rst
ixpk= 155, nxpk= 10, iat= -1, 703, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 698, 699,1494,1495,
&end
#
# 45 GLY HA- 46 MET HN 2.80 (# 156:10 Unique 2.16, 2.84 A)
&rst
ixpk= 156, nxpk= 10, iat= -1, 703, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 698, 699,
&end
#
# 46 MET HG- 46 MET HN 4.50 (# 157:10 Unique 2.42, 3.45 A)
&rst
ixpk= 157, nxpk= 10, iat= -1, 703, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 710, 711,
&end
#
# 0 AMB 10-2:158 46 MET HN 2.80 (# 158:10 Single Ambig)
&rst
ixpk= 158, nxpk= 10, iat= -1, 703, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 707, 708, 707, 708,
&end
#
# 135 GLU HA 135 GLU HN 3.50 (# 159:10 Unique 2.77, 2.78 A)
&rst
ixpk= 159, nxpk= 10, iat=2093,2091, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:160 135 GLU HN 4.50 (# 160:10 Single Ambig)
&rst
ixpk= 160, nxpk= 10, iat= -1,2091, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=2018,2019,2039,2040,2041,
&end
#
# 0 AMB 10-2:161 135 GLU HN 3.50 (# 161:10 Single Ambig)
&rst
ixpk= 161, nxpk= 10, iat= -1,2091, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2081,2082,2083,2085,2086,2087,2081,2082,2083,2085,
2086,2087,2023,2024,2025,2027,2028,2029,
&end
#
# 0 AMB 10-2:162 135 GLU HN 4.50 (# 162:10 Single Ambig)
&rst
ixpk= 162, nxpk= 10, iat= -1,2091, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=2023,2024,2025,2027,2028,2029, 283, 284, 285,
&end
#
# 38 ILE HA 38 ILE HN 3.50 (# 163:10 Unique 2.94, 2.94 A)
&rst
ixpk= 163, nxpk= 10, iat= 610, 608, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 37 GLU HA 38 ILE HN 2.80 (# 164:10 Unique 2.23, 2.29 A)
&rst
ixpk= 164, nxpk= 10, iat= 595, 608, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:165 38 ILE HN 3.50 (# 165:10 Single Ambig)
&rst
ixpk= 165, nxpk= 10, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 597, 598, 597, 598,
&end
#
# 38 ILE HB 38 ILE HN 3.50 (# 166:10 Unique 3.44, 3.57 A)
&rst
ixpk= 166, nxpk= 10, iat= 612, 608, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 38 ILE HG1- 38 ILE HN 3.50 (# 167:10 Unique 1.83, 2.64 A)
&rst
ixpk= 167, nxpk= 10, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 618, 619,
&end
#
# 38 ILE MD1 38 ILE HN 2.80 (# 168:10 Unique 1.91, 2.96 A)
&rst
ixpk= 168, nxpk= 10, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 621, 622, 623,
&end
#
# 136 ALA HN 135 GLU HN 3.50 (# 169:10 Unique 2.64, 2.70 A)
&rst
ixpk= 169, nxpk= 10, iat=2106,2091, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 134 VAL HN 135 GLU HN 2.80 (# 170:10 Unique 2.11, 2.20 A)
&rst
ixpk= 170, nxpk= 10, iat=2075,2091, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:171 135 GLU HN 2.80 (# 171:10 Single Ambig)
&rst
ixpk= 171, nxpk= 10, iat= -1,2091, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=2079,2098,2099,
&end
#
# 0 AMB 10-2:172 135 GLU HN 2.80 (# 172:10 Single Ambig)
&rst
ixpk= 172, nxpk= 10, iat= -1,2091, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2095,2096,2095,2096,
&end
#
# 57 HIS HN 56 ASP HN 3.50 (# 173:10 Unique 2.15, 2.47 A)
&rst
ixpk= 173, nxpk= 10, iat= 869, 857, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 55 ARG HA 56 ASP HN 2.80 (# 174:10 Unique 2.17, 2.35 A)
&rst
ixpk= 174, nxpk= 10, iat= 835, 857, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 56 ASP HA 56 ASP HN 3.50 (# 175:10 Unique 2.63, 2.89 A)
&rst
ixpk= 175, nxpk= 10, iat= 859, 857, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 56 ASP HB+ 56 ASP HN 4.50 (# 176:10 Unique 2.12, 2.75 A)
&rst
ixpk= 176, nxpk= 10, iat= -1, 857, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 861, 862,
&end
#
# 56 ASP HB- 56 ASP HN 3.50 (# 177:10 Unique 2.12, 2.75 A)
&rst
ixpk= 177, nxpk= 10, iat= -1, 857, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 861, 862,
&end
#
# 30 TYR HA 159 ARG HN 3.50 (# 178:10 Unique 1.84, 1.90 A)
&rst
ixpk= 178, nxpk= 10, iat= 473,2447, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 158 PRO HA 159 ARG HN 2.80 (# 179:10 Unique 2.45, 2.51 A)
&rst
ixpk= 179, nxpk= 10, iat=2443,2447, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 159 ARG HA 159 ARG HN 3.50 (# 180:10 Unique 2.27, 2.27 A)
&rst
ixpk= 180, nxpk= 10, iat=2449,2447, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:181 159 ARG HN 4.50 (# 181:10 Single Ambig)
&rst
ixpk= 181, nxpk= 10, iat= -1,2447, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2440,2441,2437,2438,
&end
#
# 0 AMB 10-2:182 159 ARG HN 3.50 (# 182:10 Single Ambig)
&rst
ixpk= 182, nxpk= 10, iat= -1,2447, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=2451,2452, 496,
&end
#
# 0 AMB 10-2:183 159 ARG HN 4.50 (# 183:10 Single Ambig)
&rst
ixpk= 183, nxpk= 10, iat= -1,2447, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 502, 503,2454,2455,
&end
#
# 0 AMB 10-2:184 159 ARG HN 2.80 (# 184:10 Single Ambig)
&rst
ixpk= 184, nxpk= 10, iat= -1,2447, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2451,2452,2454,2455,
&end
#
# 0 AMB 10-2:185 157 ILE HN 4.50 (# 185:10 Single Ambig)
&rst
ixpk= 185, nxpk= 10, iat= -1,2414, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 496, 515, 516,
&end
#
# 156 ALA HA 157 ILE HN 2.80 (# 186:10 Unique 2.14, 2.16 A)
&rst
ixpk= 186, nxpk= 10, iat=2406,2414, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 157 ILE HB 157 ILE HN 2.80 (# 187:10 Unique 2.50, 2.63 A)
&rst
ixpk= 187, nxpk= 10, iat=2418,2414, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 157 ILE HG1+ 157 ILE HN 3.50 (# 188:10 Unique 1.97, 3.00 A)
&rst
ixpk= 188, nxpk= 10, iat= -1,2414, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2424,2425,
&end
#
# 0 AMB 10-2:189 157 ILE HN 2.80 (# 189:10 Single Ambig)
&rst
ixpk= 189, nxpk= 10, iat= -1,2414, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=2408,2409,2410,2420,2421,2422,
&end
#
# 157 ILE MD1 157 ILE HN 3.50 (# 190:10 Unique 1.90, 3.96 A)
&rst
ixpk= 190, nxpk= 10, iat= -1,2414, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=2427,2428,2429,
&end
#
# 149 LEU HN 148 ALA HN 2.80 (# 192:10 Unique 2.72, 2.77 A)
&rst
ixpk= 192, nxpk= 10, iat=2297,2287, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 148 ALA HA 148 ALA HN 2.80 (# 193:10 Unique 2.76, 2.78 A)
&rst
ixpk= 193, nxpk= 10, iat=2289,2287, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 147 ALA HA 148 ALA HN 4.50 (# 194:10 Unique 3.53, 3.55 A)
&rst
ixpk= 194, nxpk= 10, iat=2279,2287, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 145 VAL HA 148 ALA HN 4.50 (# 195:10 Unique 3.55, 3.65 A)
&rst
ixpk= 195, nxpk= 10, iat=2244,2287, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 148 ALA MB 148 ALA HN 2.80 (# 196:10 Unique 2.08, 2.88 A)
&rst
ixpk= 196, nxpk= 10, iat= -1,2287, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=2291,2292,2293,
&end
#
# 160 SER HA 161 ASP HN 3.50 (# 197:10 Unique 2.30, 2.72 A)
&rst
ixpk= 197, nxpk= 10, iat=2473,2482, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:198 100 VAL HN 2.80 (# 198:10 Single Ambig)
&rst
ixpk= 198, nxpk= 10, iat= -1,1540, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1556,1518,
&end
#
# 0 AMB 10-2:199 100 VAL HN 3.50 (# 199:10 Single Ambig)
&rst
ixpk= 199, nxpk= 10, iat= -1,1540, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1501,1494,1495,1494,1495,
&end
#
# 100 VAL HA 100 VAL HN 3.50 (# 200:10 Unique 2.81, 2.82 A)
&rst
ixpk= 200, nxpk= 10, iat=1542,1540, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 99 ASP HB+ 100 VAL HN 3.50 (# 201:10 Unique 2.69, 3.23 A)
&rst
ixpk= 201, nxpk= 10, iat= -1,1540, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1532,1533,
&end
#
# 99 ASP HB- 100 VAL HN 4.50 (# 202:10 Unique 2.69, 3.23 A)
&rst
ixpk= 202, nxpk= 10, iat= -1,1540, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1532,1533,
&end
#
# 0 AMB 10-2:203 100 VAL HN 2.80 (# 203:10 Single Ambig)
&rst
ixpk= 203, nxpk= 10, iat= -1,1540, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1=1544, 707, 708, 707, 708,
&end
#
# 0 AMB 10-2:204 100 VAL HN 2.80 (# 204:10 Single Ambig)
&rst
ixpk= 204, nxpk= 10, iat= -1,1540, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1546,1547,1548,1550,1551,1552,1546,1547,1548,1550,
1551,1552,
&end
#
# 146 LEU HN 147 ALA HN 3.50 (# 205:10 Unique 2.66, 2.74 A)
&rst
ixpk= 205, nxpk= 10, iat=2258,2277, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 148 ALA HN 147 ALA HN 2.80 (# 206:10 Unique 2.74, 2.83 A)
&rst
ixpk= 206, nxpk= 10, iat=2287,2277, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 144 GLN HA 147 ALA HN 3.50 (# 207:10 Unique 3.42, 3.54 A)
&rst
ixpk= 207, nxpk= 10, iat=2227,2277, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 147 ALA HA 147 ALA HN 3.50 (# 208:10 Unique 2.76, 2.77 A)
&rst
ixpk= 208, nxpk= 10, iat=2279,2277, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 146 LEU HB+ 147 ALA HN 3.50 (# 209:10 Unique 2.51, 3.16 A)
&rst
ixpk= 209, nxpk= 10, iat= -1,2277, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2262,2263,
&end
#
# 147 ALA MB 147 ALA HN 2.80 (# 210:10 Unique 2.07, 2.88 A)
&rst
ixpk= 210, nxpk= 10, iat= -1,2277, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=2281,2282,2283,
&end
#
# 146 LEU HB- 147 ALA HN 4.50 (# 211:10 Unique 2.51, 3.16 A)
&rst
ixpk= 211, nxpk= 10, iat= -1,2277, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2262,2263,
&end
#
# 15 ASP HN 16 GLU HN 3.50 (# 212:10 Unique 2.63, 2.81 A)
&rst
ixpk= 212, nxpk= 10, iat= 233, 245, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 ALA HN 16 GLU HN 2.80 (# 213:10 Unique 2.70, 2.75 A)
&rst
ixpk= 213, nxpk= 10, iat= 260, 245, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 16 GLU HA 16 GLU HN 3.50 (# 214:10 Unique 2.73, 2.77 A)
&rst
ixpk= 214, nxpk= 10, iat= 247, 245, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:215 16 GLU HN 2.80 (# 215:10 Single Ambig)
&rst
ixpk= 215, nxpk= 10, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 249, 250, 252, 253, 252, 253,
&end
#
# 16 GLU HB+ 16 GLU HN 2.80 (# 216:10 Unique 2.07, 2.73 A)
&rst
ixpk= 216, nxpk= 10, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 249, 250,
&end
#
# 0 AMB 10-2:217 16 GLU HN 3.50 (# 217:10 Single Ambig)
&rst
ixpk= 217, nxpk= 10, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 204, 205,1930,
&end
#
# 124 LEU MDX 16 GLU HN 2.80 (# 218:10 Unique 1.92, 4.65 A)
&rst
ixpk= 218, nxpk= 10, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1932,1933,1934,1936,1937,1938,
&end
#
# 75 MET HB- 76 ILE HN 4.50 (# 219:10 Unique 2.99, 3.89 A)
&rst
ixpk= 219, nxpk= 10, iat= -1,1162, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1149,1150,
&end
#
# 0 AMB 10-2:220 76 ILE HN 3.50 (# 220:10 Single Ambig)
&rst
ixpk= 220, nxpk= 10, iat= -1,1162, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1172,1173,1172,1173,
&end
#
# 76 ILE HA 76 ILE HN 3.50 (# 221:10 Unique 2.86, 2.92 A)
&rst
ixpk= 221, nxpk= 10, iat=1164,1162, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 75 MET HA 76 ILE HN 2.80 (# 222:10 Unique 2.14, 2.20 A)
&rst
ixpk= 222, nxpk= 10, iat=1147,1162, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:223 76 ILE HN 2.80 (# 223:10 Single Ambig)
&rst
ixpk= 223, nxpk= 10, iat= -1,1162, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1166,1149,1150,
&end
#
# 0 AMB 10-2:224 76 ILE HN 3.50 (# 224:10 Single Ambig)
&rst
ixpk= 224, nxpk= 10, iat= -1,1162, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1190,1191,1192,1194,1195,1196,1190,1191,1192,1194,
1195,1196,1168,1169,1170,
&end
#
# 24 GLU HB- 24 GLU HN 2.80 (# 225:10 Unique 2.22, 2.97 A)
&rst
ixpk= 225, nxpk= 10, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 375, 376,
&end
#
# 25 ALA HN 24 GLU HN 3.50 (# 226:10 Unique 2.55, 2.76 A)
&rst
ixpk= 226, nxpk= 10, iat= 386, 371, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 VAL HN 24 GLU HN 3.50 (# 227:10 Unique 2.74, 2.80 A)
&rst
ixpk= 227, nxpk= 10, iat= 355, 371, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:228 24 GLU HN 2.80 (# 228:10 Single Ambig)
&rst
ixpk= 228, nxpk= 10, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 373, 314,
&end
#
# 24 GLU HG+ 24 GLU HN 2.80 (# 229:10 Unique 2.21, 2.99 A)
&rst
ixpk= 229, nxpk= 10, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 378, 379,
&end
#
# 0 AMB 10-2:230 24 GLU HN 2.80 (# 230:10 Single Ambig)
&rst
ixpk= 230, nxpk= 10, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 378, 379, 375, 376,
&end
#
# 23 VAL MGY 24 GLU HN 3.50 (# 231:10 Unique 1.90, 3.75 A)
&rst
ixpk= 231, nxpk= 10, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 361, 362, 363, 365, 366, 367,
&end
#
# 23 VAL MGX 24 GLU HN 4.50 (# 232:10 Unique 1.90, 3.75 A)
&rst
ixpk= 232, nxpk= 10, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 361, 362, 363, 365, 366, 367,
&end
#
# 142 LEU HN 141 ALA HN 2.80 (# 233:10 Unique 2.76, 2.81 A)
&rst
ixpk= 233, nxpk= 10, iat=2191,2181, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 139 GLU HN 141 ALA HN 4.50 (# 234:10 Unique 3.97, 4.09 A)
&rst
ixpk= 234, nxpk= 10, iat=2152,2181, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 141 ALA HA 141 ALA HN 3.50 (# 235:10 Unique 2.77, 2.80 A)
&rst
ixpk= 235, nxpk= 10, iat=2183,2181, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 140 PRO HD+ 141 ALA HN 3.50 (# 236:10 Unique 2.67, 3.27 A)
&rst
ixpk= 236, nxpk= 10, iat= -1,2181, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2168,2169,
&end
#
# 140 PRO HG+ 141 ALA HN 3.50 (# 237:10 Unique 1.94, 2.86 A)
&rst
ixpk= 237, nxpk= 10, iat= -1,2181, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2171,2172,
&end
#
# 0 AMB 10-2:238 141 ALA HN 3.50 (# 238:10 Single Ambig)
&rst
ixpk= 238, nxpk= 10, iat= -1,2181, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=2171,2172,2127,2128,2129,
&end
#
# 0 AMB 10-2:239 141 ALA HN 2.80 (# 239:10 Single Ambig)
&rst
ixpk= 239, nxpk= 10, iat= -1,2181, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=2174,2175,2195,2196,2195,2196,
&end
#
# 141 ALA MB 141 ALA HN 2.80 (# 240:10 Unique 2.35, 2.88 A)
&rst
ixpk= 240, nxpk= 10, iat= -1,2181, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=2185,2186,2187,
&end
#
# 151 GLU HN 150 ARG HN 3.50 (# 241:10 Unique 2.67, 2.70 A)
&rst
ixpk= 241, nxpk= 10, iat=2340,2316, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 149 LEU HN 150 ARG HN 4.50 (# 242:10 Unique 2.57, 2.69 A)
&rst
ixpk= 242, nxpk= 10, iat=2297,2316, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:243 150 ARG HN 2.80 (# 243:10 Single Ambig)
&rst
ixpk= 243, nxpk= 10, iat= -1,2316, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2320,2321,2301,2302,
&end
#
# 95 LEU HA 95 LEU HN 3.50 (# 244:10 Unique 2.70, 2.73 A)
&rst
ixpk= 244, nxpk= 10, iat=1475,1473, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:245 95 LEU HN 2.80 (# 245:10 Single Ambig)
&rst
ixpk= 245, nxpk= 10, iat= -1,1473, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1480,1477,1478,
&end
#
# 150 ARG HN 151 GLU HN 3.50 (# 246:10 Unique 2.67, 2.70 A)
&rst
ixpk= 246, nxpk= 10, iat=2316,2340, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 152 SER HN 151 GLU HN 2.80 (# 247:10 Unique 2.11, 2.29 A)
&rst
ixpk= 247, nxpk= 10, iat=2355,2340, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 150 ARG HB+ 151 GLU HN 3.50 (# 248:10 Unique 2.92, 3.82 A)
&rst
ixpk= 248, nxpk= 10, iat= -1,2340, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2320,2321,
&end
#
# 26 LEU HN 25 ALA HN 2.80 (# 249:10 Unique 2.59, 2.63 A)
&rst
ixpk= 249, nxpk= 10, iat= 396, 386, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:250 25 ALA HN 2.80 (# 250:10 Single Ambig)
&rst
ixpk= 250, nxpk= 10, iat= -1, 386, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 388, 314, 373,
&end
#
# 24 GLU HB+ 25 ALA HN 2.80 (# 251:10 Unique 2.18, 2.77 A)
&rst
ixpk= 251, nxpk= 10, iat= -1, 386, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 375, 376,
&end
#
# 25 ALA MB 25 ALA HN 2.80 (# 252:10 Unique 2.15, 2.88 A)
&rst
ixpk= 252, nxpk= 10, iat= -1, 386, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 390, 391, 392,
&end
#
# 24 GLU HN 25 ALA HN 3.50 (# 253:10 Unique 2.55, 2.76 A)
&rst
ixpk= 253, nxpk= 10, iat= 371, 386, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 24 GLU HB- 25 ALA HN 3.50 (# 254:10 Unique 2.18, 2.77 A)
&rst
ixpk= 254, nxpk= 10, iat= -1, 386, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 375, 376,
&end
#
# 141 ALA HN 142 LEU HN 2.80 (# 255:10 Unique 2.76, 2.81 A)
&rst
ixpk= 255, nxpk= 10, iat=2181,2191, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 143 GLU HN 142 LEU HN 2.80 (# 256:10 Unique 2.79, 2.84 A)
&rst
ixpk= 256, nxpk= 10, iat=2210,2191, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:257 142 LEU HN 3.50 (# 257:10 Single Ambig)
&rst
ixpk= 257, nxpk= 10, iat= -1,2191, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2183,2154,
&end
#
# 142 LEU HA 142 LEU HN 3.50 (# 258:10 Unique 2.77, 2.80 A)
&rst
ixpk= 258, nxpk= 10, iat=2193,2191, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:259 142 LEU HN 2.80 (# 259:10 Single Ambig)
&rst
ixpk= 259, nxpk= 10, iat= -1,2191, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2195,2196,2195,2196,
&end
#
# 141 ALA MB 142 LEU HN 2.80 (# 260:10 Unique 2.26, 3.24 A)
&rst
ixpk= 260, nxpk= 10, iat= -1,2191, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=2185,2186,2187,
&end
#
# 0 AMB 10-2:261 142 LEU HN 3.50 (# 261:10 Single Ambig)
&rst
ixpk= 261, nxpk= 10, iat= -1,2191, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 346, 347,2200,2201,2202,2204,2205,2206,2200,2201,
2202,2204,2205,2206,
&end
#
# 98 ALA HA 98 ALA HN 4.50 (# 262:10 Unique 2.74, 2.76 A)
&rst
ixpk= 262, nxpk= 10, iat=1520,1518, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 98 ALA MB 98 ALA HN 2.80 (# 263:10 Unique 2.12, 2.88 A)
&rst
ixpk= 263, nxpk= 10, iat= -1,1518, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1522,1523,1524,
&end
#
# 148 ALA HA 151 GLU HN 4.50 (# 264:10 Unique 3.60, 3.72 A)
&rst
ixpk= 264, nxpk= 10, iat=2289,2340, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:265 151 GLU HN 2.80 (# 265:10 Single Ambig)
&rst
ixpk= 265, nxpk= 10, iat= -1,2340, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2342,2318,
&end
#
# 151 GLU HG+ 151 GLU HN 2.80 (# 266:10 Unique 2.47, 3.15 A)
&rst
ixpk= 266, nxpk= 10, iat= -1,2340, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2347,2348,
&end
#
# 151 GLU HB+ 151 GLU HN 2.80 (# 267:10 Unique 2.24, 3.00 A)
&rst
ixpk= 267, nxpk= 10, iat= -1,2340, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2344,2345,
&end
#
# 151 GLU HG- 151 GLU HN 3.50 (# 268:10 Unique 2.47, 3.15 A)
&rst
ixpk= 268, nxpk= 10, iat= -1,2340, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2347,2348,
&end
#
# 151 GLU HB- 151 GLU HN 3.50 (# 269:10 Unique 2.24, 3.00 A)
&rst
ixpk= 269, nxpk= 10, iat= -1,2340, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2344,2345,
&end
#
# 150 ARG HB- 151 GLU HN 3.50 (# 270:10 Unique 2.92, 3.82 A)
&rst
ixpk= 270, nxpk= 10, iat= -1,2340, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2320,2321,
&end
#
# 139 GLU HN 138 ILE HN 3.50 (# 271:10 Unique 2.61, 2.65 A)
&rst
ixpk= 271, nxpk= 10, iat=2152,2133, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 137 MET HN 138 ILE HN 2.80 (# 272:10 Unique 2.54, 2.62 A)
&rst
ixpk= 272, nxpk= 10, iat=2116,2133, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 138 ILE HA 138 ILE HN 3.50 (# 273:10 Unique 2.78, 2.81 A)
&rst
ixpk= 273, nxpk= 10, iat=2135,2133, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:274 138 ILE HN 3.50 (# 274:10 Single Ambig)
&rst
ixpk= 274, nxpk= 10, iat= -1,2133, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2120,2121,2120,2121,2156,2157,
&end
#
# 138 ILE HB 138 ILE HN 2.80 (# 275:10 Unique 2.36, 2.43 A)
&rst
ixpk= 275, nxpk= 10, iat=2137,2133, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:276 138 ILE HN 2.80 (# 276:10 Single Ambig)
&rst
ixpk= 276, nxpk= 10, iat= -1,2133, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 283, 284, 285,2146,2147,2148,
&end
#
# 138 ILE HG1- 138 ILE HN 2.80 (# 277:10 Unique 2.05, 2.97 A)
&rst
ixpk= 277, nxpk= 10, iat= -1,2133, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2143,2144,
&end
#
# 81 GLU HN 80 GLU HN 3.50 (# 278:10 Unique 2.32, 2.41 A)
&rst
ixpk= 278, nxpk= 10, iat=1251,1236, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 79 ASP HA 80 GLU HN 4.50 (# 279:10 Unique 3.49, 3.52 A)
&rst
ixpk= 279, nxpk= 10, iat=1226,1236, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 80 GLU HA 80 GLU HN 3.50 (# 280:10 Unique 2.89, 2.90 A)
&rst
ixpk= 280, nxpk= 10, iat=1238,1236, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 79 ASP HB+ 80 GLU HN 2.80 (# 281:10 Unique 2.89, 3.54 A)
&rst
ixpk= 281, nxpk= 10, iat= -1,1236, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1228,1229,
&end
#
# 79 ASP HB- 80 GLU HN 2.80 (# 282:10 Unique 2.89, 3.54 A)
&rst
ixpk= 282, nxpk= 10, iat= -1,1236, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1228,1229,
&end
#
# 80 GLU HG- 80 GLU HN 3.50 (# 283:10 Unique 2.19, 2.55 A)
&rst
ixpk= 283, nxpk= 10, iat= -1,1236, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1243,1244,
&end
#
# 80 GLU HB+ 80 GLU HN 3.50 (# 284:10 Unique 2.17, 3.17 A)
&rst
ixpk= 284, nxpk= 10, iat= -1,1236, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1240,1241,
&end
#
# 80 GLU HB- 80 GLU HN 3.50 (# 285:10 Unique 2.17, 3.17 A)
&rst
ixpk= 285, nxpk= 10, iat= -1,1236, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1240,1241,
&end
#
# 0 AMB 10-2:286 97 LEU HN 3.50 (# 286:10 Single Ambig)
&rst
ixpk= 286, nxpk= 10, iat= -1,1499, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1518,1492,
&end
#
# 97 LEU HB- 97 LEU HN 3.50 (# 287:10 Unique 2.05, 2.62 A)
&rst
ixpk= 287, nxpk= 10, iat= -1,1499, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1503,1504,
&end
#
# 50 GLY HN 49 LEU HN 3.50 (# 288:10 Unique 2.60, 3.03 A)
&rst
ixpk= 288, nxpk= 10, iat= 773, 754, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 48 LEU HN 49 LEU HN 3.50 (# 289:10 Unique 2.37, 2.48 A)
&rst
ixpk= 289, nxpk= 10, iat= 735, 754, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 48 LEU HA 49 LEU HN 4.50 (# 290:10 Unique 3.18, 3.23 A)
&rst
ixpk= 290, nxpk= 10, iat= 737, 754, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:291 49 LEU HN 4.50 (# 291:10 Single Ambig)
&rst
ixpk= 291, nxpk= 10, iat= -1, 754, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 722, 705,
&end
#
# 49 LEU HA 49 LEU HN 2.80 (# 292:10 Unique 2.70, 2.75 A)
&rst
ixpk= 292, nxpk= 10, iat= 756, 754, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 49 LEU HB+ 49 LEU HN 2.80 (# 293:10 Unique 2.07, 2.58 A)
&rst
ixpk= 293, nxpk= 10, iat= -1, 754, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 758, 759,
&end
#
# 49 LEU HB- 49 LEU HN 2.80 (# 294:10 Unique 2.07, 2.58 A)
&rst
ixpk= 294, nxpk= 10, iat= -1, 754, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 758, 759,
&end
#
# 49 LEU HG 49 LEU HN 4.50 (# 295:10 Unique 1.80, 4.09 A)
&rst
ixpk= 295, nxpk= 10, iat= 761, 754, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:296 49 LEU HN 3.50 (# 296:10 Single Ambig)
&rst
ixpk= 296, nxpk= 10, iat= -1, 754, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1546,1547,1548,1550,1551,1552,1546,1547,1548,1550,
1551,1552,
&end
#
# 0 AMB 10-2:297 49 LEU HN 3.50 (# 297:10 Single Ambig)
&rst
ixpk= 297, nxpk= 10, iat= -1, 754, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 763, 764, 765, 767, 768, 769, 744, 745, 746, 748,
749, 750,
&end
#
# 30 TYR HA 31 ILE HN 2.80 (# 298:10 Unique 2.19, 2.21 A)
&rst
ixpk= 298, nxpk= 10, iat= 473, 492, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 31 ILE HA 31 ILE HN 4.50 (# 299:10 Unique 2.90, 2.91 A)
&rst
ixpk= 299, nxpk= 10, iat= 494, 492, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 TYR HB- 31 ILE HN 3.50 (# 300:10 Unique 2.67, 3.50 A)
&rst
ixpk= 300, nxpk= 10, iat= -1, 492, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 475, 476,
&end
#
# 31 ILE HB 31 ILE HN 2.80 (# 301:10 Unique 2.53, 2.57 A)
&rst
ixpk= 301, nxpk= 10, iat= 496, 492, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 31 ILE HG1+ 31 ILE HN 3.50 (# 302:10 Unique 2.26, 3.03 A)
&rst
ixpk= 302, nxpk= 10, iat= -1, 492, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 502, 503,
&end
#
# 0 AMB 10-2:303 31 ILE HN 3.50 (# 303:10 Single Ambig)
&rst
ixpk= 303, nxpk= 10, iat= -1, 492, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 502, 503,2420,2421,2422,
&end
#
# 0 AMB 10-2:304 31 ILE HN 3.50 (# 304:10 Single Ambig)
&rst
ixpk= 304, nxpk= 10, iat= -1, 492, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 505, 506, 507,2427,2428,2429, 498, 499, 500,
&end
#
# 0 AMB 10-2:305 97 LEU HN 2.80 (# 305:10 Single Ambig)
&rst
ixpk= 305, nxpk= 10, iat= -1,1499, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1=1494,1495,1494,1495,1501,
&end
#
# 0 AMB 10-2:306 154 VAL HN 2.80 (# 306:10 Single Ambig)
&rst
ixpk= 306, nxpk= 10, iat= -1,2373, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=2318,2368,2369,
&end
#
# 0 AMB 10-2:307 154 VAL HN 3.50 (# 307:10 Single Ambig)
&rst
ixpk= 307, nxpk= 10, iat= -1,2373, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=2375,2359,2360,
&end
#
# 0 AMB 10-2:308 154 VAL HN 3.50 (# 308:10 Single Ambig)
&rst
ixpk= 308, nxpk= 10, iat= -1,2373, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=2368,2369,2299,
&end
#
# 154 VAL HB 154 VAL HN 2.80 (# 309:10 Unique 2.67, 2.82 A)
&rst
ixpk= 309, nxpk= 10, iat=2377,2373, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 154 VAL MGY 154 VAL HN 2.80 (# 310:10 Unique 2.16, 4.13 A)
&rst
ixpk= 310, nxpk= 10, iat= -1,2373, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=2379,2380,2381,2383,2384,2385,
&end
#
# 154 VAL MGX 154 VAL HN 3.50 (# 311:10 Unique 2.16, 4.13 A)
&rst
ixpk= 311, nxpk= 10, iat= -1,2373, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2379,2380,2381,2383,2384,2385,
&end
#
# 48 LEU HN 47 GLU HN 3.50 (# 312:10 Unique 2.12, 2.33 A)
&rst
ixpk= 312, nxpk= 10, iat= 735, 720, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:313 47 GLU HN 3.50 (# 313:10 Single Ambig)
&rst
ixpk= 313, nxpk= 10, iat= -1, 720, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 722, 688,
&end
#
# 0 AMB 10-2:314 47 GLU HN 3.50 (# 314:10 Single Ambig)
&rst
ixpk= 314, nxpk= 10, iat= -1, 720, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 727, 728, 727, 728,
&end
#
# 47 GLU HB+ 47 GLU HN 3.50 (# 315:10 Unique 2.18, 2.85 A)
&rst
ixpk= 315, nxpk= 10, iat= -1, 720, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 724, 725,
&end
#
# 47 GLU HB- 47 GLU HN 3.50 (# 316:10 Unique 2.18, 2.85 A)
&rst
ixpk= 316, nxpk= 10, iat= -1, 720, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 724, 725,
&end
#
# 66 SER HN 65 VAL HN 3.50 (# 317:10 Unique 2.80, 3.02 A)
&rst
ixpk= 317, nxpk= 10, iat=1010, 994, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 64 ILE HA 65 VAL HN 3.50 (# 318:10 Unique 2.56, 3.47 A)
&rst
ixpk= 318, nxpk= 10, iat= 977, 994, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 65 VAL HA 65 VAL HN 3.50 (# 319:10 Unique 2.28, 2.32 A)
&rst
ixpk= 319, nxpk= 10, iat= 996, 994, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 65 VAL HB 65 VAL HN 3.50 (# 320:10 Unique 2.85, 3.58 A)
&rst
ixpk= 320, nxpk= 10, iat= 998, 994, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:321 65 VAL HN 2.80 (# 321:10 Single Ambig)
&rst
ixpk= 321, nxpk= 10, iat= -1, 994, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1000,1001,1002,1004,1005,1006,1000,1001,1002,1004,
1005,1006,
&end
#
# 135 GLU HN 134 VAL HN 2.80 (# 322:10 Unique 2.11, 2.20 A)
&rst
ixpk= 322, nxpk= 10, iat=2091,2075, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 133 THR HN 134 VAL HN 3.50 (# 323:10 Unique 1.71, 1.88 A)
&rst
ixpk= 323, nxpk= 10, iat=2061,2075, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:324 134 VAL HN 2.80 (# 324:10 Single Ambig)
&rst
ixpk= 324, nxpk= 10, iat= -1,2075, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=2065,2048,2049,
&end
#
# 134 VAL HA 134 VAL HN 3.50 (# 325:10 Unique 2.90, 2.92 A)
&rst
ixpk= 325, nxpk= 10, iat=2077,2075, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 134 VAL HB 134 VAL HN 2.80 (# 326:10 Unique 2.38, 2.52 A)
&rst
ixpk= 326, nxpk= 10, iat=2079,2075, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:327 134 VAL HN 2.80 (# 327:10 Single Ambig)
&rst
ixpk= 327, nxpk= 10, iat= -1,2075, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2081,2082,2083,2085,2086,2087,2081,2082,2083,2085,
2086,2087,
&end
#
# 161 ASP HA 162 SER HN 4.50 (# 328:10 Unique 2.20, 3.05 A)
&rst
ixpk= 328, nxpk= 10, iat=2484,2494, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:329 162 SER HN 4.50 (# 329:10 Single Ambig)
&rst
ixpk= 329, nxpk= 10, iat= -1,2494, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2498,2499,2498,2499,2475,2476,
&end
#
# 0 AMB 10-2:330 129 GLY HN 2.80 (# 330:10 Single Ambig)
&rst
ixpk= 330, nxpk= 10, iat= -1,2007, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1990,2009,2010,
&end
#
# 129 GLY HA- 129 GLY HN 3.50 (# 331:10 Unique 2.30, 2.71 A)
&rst
ixpk= 331, nxpk= 10, iat= -1,2007, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2009,2010,
&end
#
# 121 PRO HA 122 GLU HN 3.50 (# 332:10 Unique 2.19, 2.51 A)
&rst
ixpk= 332, nxpk= 10, iat=1893,1897, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 122 GLU HB+ 122 GLU HN 3.50 (# 333:10 Unique 2.18, 2.84 A)
&rst
ixpk= 333, nxpk= 10, iat= -1,1897, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1901,1902,
&end
#
# 0 AMB 10-2:334 122 GLU HN 3.50 (# 334:10 Single Ambig)
&rst
ixpk= 334, nxpk= 10, iat= -1,1897, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1890,1891,1901,1902,
&end
#
# 0 AMB 10-2:335 122 GLU HN 3.50 (# 335:10 Single Ambig)
&rst
ixpk= 335, nxpk= 10, iat= -1,1897, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2081,2082,2083,2085,2086,2087,2081,2082,2083,2085,
2086,2087,
&end
#
# 123 SER HN 122 GLU HN 2.80 (# 336:10 Unique 1.89, 2.15 A)
&rst
ixpk= 336, nxpk= 10, iat=1912,1897, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 128 ILE MG2 129 GLY HN 3.50 (# 337:10 Unique 1.93, 3.68 A)
&rst
ixpk= 337, nxpk= 10, iat= -1,2007, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1994,1995,1996,
&end
#
# 21 ARG HN 22 ILE HN 3.50 (# 338:10 Unique 2.67, 2.73 A)
&rst
ixpk= 338, nxpk= 10, iat= 312, 336, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 VAL HN 22 ILE HN 3.50 (# 339:10 Unique 2.89, 3.02 A)
&rst
ixpk= 339, nxpk= 10, iat= 355, 336, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 22 ILE HB 22 ILE HN 2.80 (# 340:10 Unique 2.27, 2.52 A)
&rst
ixpk= 340, nxpk= 10, iat= 340, 336, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 22 ILE HG1- 22 ILE HN 2.80 (# 341:10 Unique 1.95, 3.04 A)
&rst
ixpk= 341, nxpk= 10, iat= -1, 336, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 346, 347,
&end
#
# 22 ILE MD1 22 ILE HN 2.80 (# 342:10 Unique 2.50, 3.74 A)
&rst
ixpk= 342, nxpk= 10, iat= -1, 336, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 349, 350, 351,
&end
#
# 22 ILE HA 22 ILE HN 3.50 (# 343:10 Unique 2.80, 2.82 A)
&rst
ixpk= 343, nxpk= 10, iat= 338, 336, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 129 GLY HA+ 130 LEU HN 2.80 (# 344:10 Unique 2.14, 2.87 A)
&rst
ixpk= 344, nxpk= 10, iat= -1,2014, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2009,2010,
&end
#
# 129 GLY HA- 130 LEU HN 2.80 (# 345:10 Unique 2.14, 2.87 A)
&rst
ixpk= 345, nxpk= 10, iat= -1,2014, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2009,2010,
&end
#
# 130 LEU HG 130 LEU HN 3.50 (# 346:10 Unique 3.66, 3.76 A)
&rst
ixpk= 346, nxpk= 10, iat=2021,2014, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 130 LEU HB+ 130 LEU HN 2.80 (# 347:10 Unique 2.41, 3.12 A)
&rst
ixpk= 347, nxpk= 10, iat= -1,2014, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2018,2019,
&end
#
# 0 AMB 10-2:348 130 LEU HN 3.50 (# 348:10 Single Ambig)
&rst
ixpk= 348, nxpk= 10, iat= -1,2014, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=2018,2019, 225, 226, 227,
&end
#
# 130 LEU MDX 130 LEU HN 3.50 (# 349:10 Unique 1.88, 3.01 A)
&rst
ixpk= 349, nxpk= 10, iat= -1,2014, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2023,2024,2025,2027,2028,2029,
&end
#
# 130 LEU MDY 130 LEU HN 3.50 (# 350:10 Unique 1.88, 3.01 A)
&rst
ixpk= 350, nxpk= 10, iat= -1,2014, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2023,2024,2025,2027,2028,2029,
&end
#
# 84 ALA HN 85 LEU HN 3.50 (# 351:10 Unique 2.18, 2.54 A)
&rst
ixpk= 351, nxpk= 10, iat=1296,1306, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 85 LEU HA 85 LEU HN 2.80 (# 352:10 Unique 2.88, 2.90 A)
&rst
ixpk= 352, nxpk= 10, iat=1308,1306, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:353 85 LEU HN 4.50 (# 353:10 Single Ambig)
&rst
ixpk= 353, nxpk= 10, iat= -1,1306, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1268,1283,1284,1329,1330,
&end
#
# 85 LEU HB+ 85 LEU HN 2.80 (# 354:10 Unique 2.25, 2.58 A)
&rst
ixpk= 354, nxpk= 10, iat= -1,1306, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1310,1311,
&end
#
# 0 AMB 10-2:355 85 LEU HN 2.80 (# 355:10 Single Ambig)
&rst
ixpk= 355, nxpk= 10, iat= -1,1306, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1=1310,1311,1300,1301,1302,
&end
#
# 0 AMB 10-2:356 85 LEU HN 3.50 (# 356:10 Single Ambig)
&rst
ixpk= 356, nxpk= 10, iat= -1,1306, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1190,1191,1192,1194,1195,1196,1190,1191,1192,1194,
1195,1196,1315,1316,1317,1319,1320,1321,
&end
#
# 0 AMB 10-2:357 85 LEU HN 4.50 (# 357:10 Single Ambig)
&rst
ixpk= 357, nxpk= 10, iat= -1,1306, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1315,1316,1317,1319,1320,1321,1272,1273,1274,1276,
1277,1278,
&end
#
# 91 SER HN 90 ILE HN 3.50 (# 358:10 Unique 1.88, 2.41 A)
&rst
ixpk= 358, nxpk= 10, iat=1414,1395, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 89 LYS HA 90 ILE HN 3.50 (# 359:10 Unique 2.15, 2.71 A)
&rst
ixpk= 359, nxpk= 10, iat=1375,1395, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 90 ILE HB 90 ILE HN 3.50 (# 360:10 Unique 2.33, 2.81 A)
&rst
ixpk= 360, nxpk= 10, iat=1399,1395, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 113 LYS HN 112 LYS HN 3.50 (# 361:10 Unique 2.18, 2.84 A)
&rst
ixpk= 361, nxpk= 10, iat=1751,1729, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 112 LYS HA 112 LYS HN 3.50 (# 362:10 Unique 2.73, 2.77 A)
&rst
ixpk= 362, nxpk= 10, iat=1731,1729, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 112 LYS HB+ 112 LYS HN 3.50 (# 363:10 Unique 2.19, 2.93 A)
&rst
ixpk= 363, nxpk= 10, iat= -1,1729, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1733,1734,
&end
#
# 0 AMB 10-2:364 112 LYS HN 3.50 (# 364:10 Single Ambig)
&rst
ixpk= 364, nxpk= 10, iat= -1,1729, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1722,1723,1733,1734,
&end
#
# 112 LYS HG+ 112 LYS HN 2.80 (# 365:10 Unique 2.41, 3.06 A)
&rst
ixpk= 365, nxpk= 10, iat= -1,1729, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1736,1737,
&end
#
# 112 LYS HG- 112 LYS HN 3.50 (# 366:10 Unique 2.41, 3.06 A)
&rst
ixpk= 366, nxpk= 10, iat= -1,1729, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1736,1737,
&end
#
# 111 PRO HA 112 LYS HN 2.80 (# 367:10 Unique 2.25, 2.33 A)
&rst
ixpk= 367, nxpk= 10, iat=1725,1729, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 52 MET HN 53 ALA HN 2.80 (# 368:10 Unique 1.79, 2.34 A)
&rst
ixpk= 368, nxpk= 10, iat= 792, 809, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 53 ALA HA 53 ALA HN 3.50 (# 369:10 Unique 2.73, 2.86 A)
&rst
ixpk= 369, nxpk= 10, iat= 811, 809, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:370 53 ALA HN 3.50 (# 370:10 Single Ambig)
&rst
ixpk= 370, nxpk= 10, iat= -1, 809, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 794, 775, 776,
&end
#
# 0 AMB 10-2:371 53 ALA HN 3.50 (# 371:10 Single Ambig)
&rst
ixpk= 371, nxpk= 10, iat= -1, 809, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 796, 797,1684,1685,
&end
#
# 53 ALA MB 53 ALA HN 2.80 (# 372:10 Unique 2.07, 2.97 A)
&rst
ixpk= 372, nxpk= 10, iat= -1, 809, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 813, 814, 815,
&end
#
# 104 LEU MDX 53 ALA HN 3.50 (# 373:10 Unique 2.82, 4.61 A)
&rst
ixpk= 373, nxpk= 10, iat= -1, 809, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1605,1606,1607,1609,1610,1611,
&end
#
# 87 THR HA 88 ASN HN 4.50 (# 374:10 Unique 2.14, 2.91 A)
&rst
ixpk= 374, nxpk= 10, iat=1347,1359, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 63 ALA HA 64 ILE HN 2.80 (# 375:10 Unique 2.19, 2.26 A)
&rst
ixpk= 375, nxpk= 10, iat= 967, 975, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 121 PRO HD- 64 ILE HN 3.50 (# 376:10 Unique 2.58, 3.82 A)
&rst
ixpk= 376, nxpk= 10, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1884,1885,
&end
#
# 64 ILE HB 64 ILE HN 3.50 (# 377:10 Unique 2.32, 2.50 A)
&rst
ixpk= 377, nxpk= 10, iat= 979, 975, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:378 64 ILE HN 2.80 (# 378:10 Single Ambig)
&rst
ixpk= 378, nxpk= 10, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1= 985, 986, 969, 970, 971,
&end
#
# 12 LEU HN 13 LEU HN 2.80 (# 379:10 Unique 1.62, 1.84 A)
&rst
ixpk= 379, nxpk= 10, iat= 181, 200, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:380 13 LEU HN 3.50 (# 380:10 Single Ambig)
&rst
ixpk= 380, nxpk= 10, iat= -1, 200, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 202,1967,
&end
#
# 0 AMB 10-2:381 13 LEU HN 2.80 (# 381:10 Single Ambig)
&rst
ixpk= 381, nxpk= 10, iat= -1, 200, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 204, 205, 185, 186, 185, 186, 264, 265, 266,
&end
#
# 13 LEU HG 13 LEU HN 4.50 (# 382:10 Unique 4.35, 4.62 A)
&rst
ixpk= 382, nxpk= 10, iat= 207, 200, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:383 13 LEU HN 3.50 (# 383:10 Single Ambig)
&rst
ixpk= 383, nxpk= 10, iat= -1, 200, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 209, 210, 211, 213, 214, 215,1998,1999,
&end
#
# 13 LEU MDX 13 LEU HN 3.50 (# 384:10 Unique 2.57, 4.38 A)
&rst
ixpk= 384, nxpk= 10, iat= -1, 200, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 209, 210, 211, 213, 214, 215,
&end
#
# 64 ILE HG1- 64 ILE HN 3.50 (# 385:10 Unique 2.37, 3.32 A)
&rst
ixpk= 385, nxpk= 10, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 985, 986,
&end
#
# 0 AMB 10-2:386 131 THR HN 2.80 (# 386:10 Single Ambig)
&rst
ixpk= 386, nxpk= 10, iat= -1,2033, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 225, 226, 227,2039,2040,2041,2018,2019,
&end
#
# 0 AMB 10-2:387 131 THR HN 3.50 (# 387:10 Single Ambig)
&rst
ixpk= 387, nxpk= 10, iat= -1,2033, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2023,2024,2025,2027,2028,2029,2081,2082,2083,2085,
2086,2087,2081,2082,2083,2085,2086,2087,
&end
#
# 145 VAL HN 146 LEU HN 2.80 (# 388:10 Unique 2.85, 2.89 A)
&rst
ixpk= 388, nxpk= 10, iat=2242,2258, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 147 ALA HN 146 LEU HN 3.50 (# 389:10 Unique 2.66, 2.74 A)
&rst
ixpk= 389, nxpk= 10, iat=2277,2258, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 146 LEU HA 146 LEU HN 3.50 (# 390:10 Unique 2.77, 2.79 A)
&rst
ixpk= 390, nxpk= 10, iat=2260,2258, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 145 VAL HB 146 LEU HN 3.50 (# 391:10 Unique 2.33, 2.39 A)
&rst
ixpk= 391, nxpk= 10, iat=2246,2258, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 146 LEU HB+ 146 LEU HN 2.80 (# 392:10 Unique 2.52, 3.10 A)
&rst
ixpk= 392, nxpk= 10, iat= -1,2258, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2262,2263,
&end
#
# 146 LEU HG 146 LEU HN 2.80 (# 393:10 Unique 1.95, 2.07 A)
&rst
ixpk= 393, nxpk= 10, iat=2265,2258, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 146 LEU HB- 146 LEU HN 3.50 (# 394:10 Unique 2.52, 3.10 A)
&rst
ixpk= 394, nxpk= 10, iat= -1,2258, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2262,2263,
&end
#
# 0 AMB 10-2:395 146 LEU HN 4.50 (# 395:10 Single Ambig)
&rst
ixpk= 395, nxpk= 10, iat= -1,2258, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2248,2249,2250,2252,2253,2254,2200,2201,2202,2204,
2205,2206,2200,2201,2202,2204,2205,2206, 915, 916,
&end
#
# 0 AMB 10-2:396 146 LEU HN 3.50 (# 396:10 Single Ambig)
&rst
ixpk= 396, nxpk= 10, iat= -1,2258, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2248,2249,2250,2252,2253,2254, 520, 521, 522, 524,
525, 526,
&end
#
# 146 LEU MDX 146 LEU HN 3.50 (# 397:10 Unique 2.06, 4.10 A)
&rst
ixpk= 397, nxpk= 10, iat= -1,2258, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2267,2268,2269,2271,2272,2273,
&end
#
# 146 LEU MDY 146 LEU HN 4.50 (# 398:10 Unique 2.06, 4.10 A)
&rst
ixpk= 398, nxpk= 10, iat= -1,2258, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2267,2268,2269,2271,2272,2273,
&end
#
# 77 LEU HA 78 ARG HN 2.80 (# 399:10 Unique 2.14, 2.16 A)
&rst
ixpk= 399, nxpk= 10, iat=1183,1200, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 81 GLU HB+ 78 ARG HN 3.50 (# 400:10 Unique 1.67, 2.48 A)
&rst
ixpk= 400, nxpk= 10, iat= -1,1200, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1255,1256,
&end
#
# 81 GLU HB- 78 ARG HN 3.50 (# 401:10 Unique 1.67, 2.48 A)
&rst
ixpk= 401, nxpk= 10, iat= -1,1200, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1255,1256,
&end
#
# 78 ARG HB- 78 ARG HN 2.80 (# 402:10 Unique 2.21, 2.88 A)
&rst
ixpk= 402, nxpk= 10, iat= -1,1200, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1204,1205,
&end
#
# 77 LEU HB- 78 ARG HN 3.50 (# 403:10 Unique 3.17, 3.93 A)
&rst
ixpk= 403, nxpk= 10, iat= -1,1200, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1185,1186,
&end
#
# 0 AMB 10-2:404 78 ARG HN 4.50 (# 404:10 Single Ambig)
&rst
ixpk= 404, nxpk= 10, iat= -1,1200, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1190,1191,1192,1194,1195,1196,1190,1191,1192,1194,
1195,1196,
&end
#
# 0 AMB 10-2:405 99 ASP HN 2.80 (# 405:10 Single Ambig)
&rst
ixpk= 405, nxpk= 10, iat= -1,1528, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1518,1556,
&end
#
# 0 AMB 10-2:406 101 LEU HN 2.80 (# 406:10 Single Ambig)
&rst
ixpk= 406, nxpk= 10, iat= -1,1556, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1540,1586,
&end
#
# 101 LEU HA 101 LEU HN 3.50 (# 407:10 Unique 2.80, 2.82 A)
&rst
ixpk= 407, nxpk= 10, iat=1558,1556, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 101 LEU HB+ 101 LEU HN 2.80 (# 408:10 Unique 2.10, 2.79 A)
&rst
ixpk= 408, nxpk= 10, iat= -1,1556, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1560,1561,
&end
#
# 0 AMB 10-2:409 101 LEU HN 3.50 (# 409:10 Single Ambig)
&rst
ixpk= 409, nxpk= 10, iat= -1,1556, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1544, 714, 715, 716,1289,1290,
&end
#
# 0 AMB 10-2:410 101 LEU HN 3.50 (# 410:10 Single Ambig)
&rst
ixpk= 410, nxpk= 10, iat= -1,1556, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1563, 758, 759,
&end
#
# 101 LEU HB- 101 LEU HN 3.50 (# 411:10 Unique 2.10, 2.79 A)
&rst
ixpk= 411, nxpk= 10, iat= -1,1556, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1560,1561,
&end
#
# 0 AMB 10-2:412 101 LEU HN 3.50 (# 412:10 Single Ambig)
&rst
ixpk= 412, nxpk= 10, iat= -1,1556, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1546,1547,1548,1550,1551,1552,1546,1547,1548,1550,
1551,1552,
&end
#
# 101 LEU MDY 101 LEU HN 3.50 (# 413:10 Unique 2.36, 4.18 A)
&rst
ixpk= 413, nxpk= 10, iat= -1,1556, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1565,1566,1567,1569,1570,1571,
&end
#
# 101 LEU MDX 101 LEU HN 4.50 (# 414:10 Unique 2.36, 4.18 A)
&rst
ixpk= 414, nxpk= 10, iat= -1,1556, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1565,1566,1567,1569,1570,1571,
&end
#
# 99 ASP HA 99 ASP HN 3.50 (# 415:10 Unique 2.74, 2.79 A)
&rst
ixpk= 415, nxpk= 10, iat=1530,1528, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:416 99 ASP HN 3.50 (# 416:10 Single Ambig)
&rst
ixpk= 416, nxpk= 10, iat= -1,1528, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1520,1494,1495,1494,1495,1501,
&end
#
# 99 ASP HB+ 99 ASP HN 2.80 (# 417:10 Unique 2.08, 2.82 A)
&rst
ixpk= 417, nxpk= 10, iat= -1,1528, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1532,1533,
&end
#
# 99 ASP HB- 99 ASP HN 3.50 (# 418:10 Unique 2.08, 2.82 A)
&rst
ixpk= 418, nxpk= 10, iat= -1,1528, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1532,1533,
&end
#
# 98 ALA MB 99 ASP HN 3.50 (# 419:10 Unique 2.10, 3.09 A)
&rst
ixpk= 419, nxpk= 10, iat= -1,1528, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1522,1523,1524,
&end
#
# 50 GLY HN 51 ASP HN 2.80 (# 420:10 Unique 2.60, 2.75 A)
&rst
ixpk= 420, nxpk= 10, iat= 773, 780, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 52 MET HN 51 ASP HN 2.80 (# 421:10 Unique 2.08, 2.51 A)
&rst
ixpk= 421, nxpk= 10, iat= 792, 780, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:422 51 ASP HN 2.80 (# 422:10 Single Ambig)
&rst
ixpk= 422, nxpk= 10, iat= -1, 780, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 782, 737,
&end
#
# 0 AMB 10-2:423 51 ASP HN 2.80 (# 423:10 Single Ambig)
&rst
ixpk= 423, nxpk= 10, iat= -1, 780, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 775, 776, 775, 776,
&end
#
# 51 ASP HB+ 51 ASP HN 2.80 (# 424:10 Unique 2.53, 3.13 A)
&rst
ixpk= 424, nxpk= 10, iat= -1, 780, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 784, 785,
&end
#
# 51 ASP HB- 51 ASP HN 3.50 (# 425:10 Unique 2.53, 3.13 A)
&rst
ixpk= 425, nxpk= 10, iat= -1, 780, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 784, 785,
&end
#
# 0 AMB 10-2:426 51 ASP HN 4.50 (# 426:10 Single Ambig)
&rst
ixpk= 426, nxpk= 10, iat= -1, 780, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1605,1606,1607,1609,1610,1611, 73, 74, 75, 77,
78, 79, 744, 745, 746, 748, 749, 750, 636, 637,
638, 640, 641, 642, 895, 896, 897, 899, 900, 901,
&end
#
# 19 GLY HN 20 VAL HN 3.50 (# 427:10 Unique 2.48, 2.62 A)
&rst
ixpk= 427, nxpk= 10, iat= 289, 296, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 21 ARG HN 20 VAL HN 2.80 (# 428:10 Unique 2.21, 2.42 A)
&rst
ixpk= 428, nxpk= 10, iat= 312, 296, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 19 GLY HA+ 20 VAL HN 4.50 (# 429:10 Unique 2.73, 3.18 A)
&rst
ixpk= 429, nxpk= 10, iat= -1, 296, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 291, 292,
&end
#
# 20 VAL HA 20 VAL HN 3.50 (# 430:10 Unique 2.84, 2.88 A)
&rst
ixpk= 430, nxpk= 10, iat= 298, 296, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 20 VAL HB 20 VAL HN 2.80 (# 431:10 Unique 2.18, 2.23 A)
&rst
ixpk= 431, nxpk= 10, iat= 300, 296, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:432 20 VAL HN 2.80 (# 432:10 Single Ambig)
&rst
ixpk= 432, nxpk= 10, iat= -1, 296, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 302, 303, 304, 306, 307, 308, 302, 303, 304, 306,
307, 308,
&end
#
# 35 TYR HN 34 ASP HN 3.50 (# 433:10 Unique 2.36, 2.55 A)
&rst
ixpk= 433, nxpk= 10, iat= 556, 544, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 33 PRO HA 34 ASP HN 3.50 (# 434:10 Unique 2.68, 2.71 A)
&rst
ixpk= 434, nxpk= 10, iat= 540, 544, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:435 34 ASP HN 2.80 (# 435:10 Single Ambig)
&rst
ixpk= 435, nxpk= 10, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 548, 549, 548, 549,
&end
#
# 33 PRO HB- 34 ASP HN 4.50 (# 436:10 Unique 1.86, 2.54 A)
&rst
ixpk= 436, nxpk= 10, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 537, 538,
&end
#
# 34 ASP HA 34 ASP HN 3.50 (# 437:10 Unique 2.87, 2.88 A)
&rst
ixpk= 437, nxpk= 10, iat= 546, 544, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 33 PRO HB+ 34 ASP HN 4.50 (# 438:10 Unique 1.86, 2.54 A)
&rst
ixpk= 438, nxpk= 10, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 537, 538,
&end
#
# 106 PHE HA 106 PHE HN 3.50 (# 439:10 Unique 2.76, 2.81 A)
&rst
ixpk= 439, nxpk= 10, iat=1641,1639, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:440 106 PHE HN 4.50 (# 440:10 Single Ambig)
&rst
ixpk= 440, nxpk= 10, iat= -1,1639, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1588,1598,
&end
#
# 106 PHE HB+ 106 PHE HN 3.50 (# 441:10 Unique 2.08, 2.80 A)
&rst
ixpk= 441, nxpk= 10, iat= -1,1639, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1643,1644,
&end
#
# 106 PHE HB- 106 PHE HN 2.80 (# 442:10 Unique 2.08, 2.80 A)
&rst
ixpk= 442, nxpk= 10, iat= -1,1639, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1643,1644,
&end
#
# 105 ARG HB+ 106 PHE HN 3.50 (# 443:10 Unique 2.33, 3.87 A)
&rst
ixpk= 443, nxpk= 10, iat= -1,1639, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1619,1620,
&end
#
# 118 GLY HA+ 119 VAL HN 2.80 (# 444:10 Unique 2.14, 2.71 A)
&rst
ixpk= 444, nxpk= 10, iat= -1,1848, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1843,1844,
&end
#
# 63 ALA HA 119 VAL HN 2.80 (# 445:10 Unique 1.87, 1.93 A)
&rst
ixpk= 445, nxpk= 10, iat= 967,1848, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 118 GLY HA- 119 VAL HN 3.50 (# 446:10 Unique 2.14, 2.71 A)
&rst
ixpk= 446, nxpk= 10, iat= -1,1848, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1843,1844,
&end
#
# 119 VAL HB 119 VAL HN 3.50 (# 447:10 Unique 3.61, 3.65 A)
&rst
ixpk= 447, nxpk= 10, iat=1852,1848, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:448 119 VAL HN 2.80 (# 448:10 Single Ambig)
&rst
ixpk= 448, nxpk= 10, iat= -1,1848, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1854,1855,1856,1858,1859,1860, 988, 989, 990,
&end
#
# 105 ARG HB+ 105 ARG HN 2.80 (# 449:10 Unique 2.29, 3.02 A)
&rst
ixpk= 449, nxpk= 10, iat= -1,1615, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1619,1620,
&end
#
# 108 GLY HA- 109 GLU HN 3.50 (# 450:10 Unique 2.60, 3.25 A)
&rst
ixpk= 450, nxpk= 10, iat= -1,1680, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1675,1676,
&end
#
# 109 GLU HB- 109 GLU HN 3.50 (# 451:10 Unique 2.08, 2.95 A)
&rst
ixpk= 451, nxpk= 10, iat= -1,1680, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1684,1685,
&end
#
# 0 AMB 10-2:452 105 ARG HN 3.50 (# 452:10 Single Ambig)
&rst
ixpk= 452, nxpk= 10, iat= -1,1615, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1617,1558,
&end
#
# 110 PHE HN 109 GLU HN 2.80 (# 453:10 Unique 1.93, 2.63 A)
&rst
ixpk= 453, nxpk= 10, iat=1695,1680, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 109 GLU HA 109 GLU HN 3.50 (# 454:10 Unique 2.29, 2.77 A)
&rst
ixpk= 454, nxpk= 10, iat=1682,1680, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:455 109 GLU HN 2.80 (# 455:10 Single Ambig)
&rst
ixpk= 455, nxpk= 10, iat= -1,1680, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1684,1685,1687,1688,1687,1688,
&end
#
# 0 AMB 10-2:456 17 ALA HN 3.50 (# 456:10 Single Ambig)
&rst
ixpk= 456, nxpk= 10, iat= -1, 260, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2023,2024,2025,2027,2028,2029, 276, 277, 278,1932,
1933,1934,1936,1937,1938, 168, 169, 170,
&end
#
# 124 LEU HN 125 GLU HN 2.80 (# 457:10 Unique 2.70, 2.87 A)
&rst
ixpk= 457, nxpk= 10, iat=1923,1942, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 14 THR HG1 125 GLU HN 4.50 (# 458:10 Unique 3.14, 3.76 A)
&rst
ixpk= 458, nxpk= 10, iat= 229,1942, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 124 LEU HA 125 GLU HN 3.50 (# 459:10 Unique 2.52, 2.62 A)
&rst
ixpk= 459, nxpk= 10, iat=1925,1942, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 125 GLU HA 125 GLU HN 2.80 (# 460:10 Unique 2.85, 2.92 A)
&rst
ixpk= 460, nxpk= 10, iat=1944,1942, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:461 125 GLU HN 2.80 (# 461:10 Single Ambig)
&rst
ixpk= 461, nxpk= 10, iat= -1,1942, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1949,1950,1949,1950,
&end
#
# 125 GLU HB- 125 GLU HN 3.50 (# 462:10 Unique 2.16, 3.07 A)
&rst
ixpk= 462, nxpk= 10, iat= -1,1942, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1946,1947,
&end
#
# 125 GLU HB+ 125 GLU HN 2.80 (# 463:10 Unique 2.16, 3.07 A)
&rst
ixpk= 463, nxpk= 10, iat= -1,1942, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1946,1947,
&end
#
# 0 AMB 10-2:464 17 ALA HN 3.50 (# 464:10 Single Ambig)
&rst
ixpk= 464, nxpk= 10, iat= -1, 260, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 245, 219,
&end
#
# 18 ILE HN 17 ALA HN 3.50 (# 465:10 Unique 2.00, 2.47 A)
&rst
ixpk= 465, nxpk= 10, iat= 270, 260, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 15 ASP HA 17 ALA HN 4.50 (# 466:10 Unique 3.20, 3.80 A)
&rst
ixpk= 466, nxpk= 10, iat= 235, 260, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:467 17 ALA HN 2.80 (# 467:10 Single Ambig)
&rst
ixpk= 467, nxpk= 10, iat= -1, 260, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 262, 164,
&end
#
# 17 ALA MB 17 ALA HN 2.80 (# 468:10 Unique 2.17, 2.92 A)
&rst
ixpk= 468, nxpk= 10, iat= -1, 260, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 264, 265, 266,
&end
#
# 0 AMB 10-2:469 125 GLU HN 3.50 (# 469:10 Single Ambig)
&rst
ixpk= 469, nxpk= 10, iat= -1,1942, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 225, 226, 227, 204, 205,1927,1928,2039,2040,2041,
1930,
&end
#
# 61 ALA HA 62 ASP HN 2.80 (# 470:10 Unique 2.14, 2.14 A)
&rst
ixpk= 470, nxpk= 10, iat= 945, 953, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 62 ASP HA 62 ASP HN 4.50 (# 471:10 Unique 2.87, 2.88 A)
&rst
ixpk= 471, nxpk= 10, iat= 955, 953, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 62 ASP HB+ 62 ASP HN 4.50 (# 472:10 Unique 2.89, 3.33 A)
&rst
ixpk= 472, nxpk= 10, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 957, 958,
&end
#
# 107 THR MG2 109 GLU HN 3.50 (# 473:10 Unique 1.92, 3.26 A)
&rst
ixpk= 473, nxpk= 10, iat= -1,1680, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1665,1666,1667,
&end
#
# 0 AMB 10-2:474 62 ASP HN 2.80 (# 474:10 Single Ambig)
&rst
ixpk= 474, nxpk= 10, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1815,1816,1817,1819,1820,1821, 930, 931, 932,
&end
#
# 0 AMB 10-2:475 0 AMB 10-1:475 3.50 (# 475:10 Double Ambig)
&rst
ixpk= 475, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1605,1606,1607,1609,1610,1611,1854,1855,1856,1858,
1859,1860, 349, 350, 351,
igr2=1680, 953,
&end
#
# 0 AMB 10-2:476 26 LEU HN 2.80 (# 476:10 Single Ambig)
&rst
ixpk= 476, nxpk= 10, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 415, 386,
&end
#
# 0 AMB 10-2:477 26 LEU HN 3.50 (# 477:10 Single Ambig)
&rst
ixpk= 477, nxpk= 10, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 388, 373,
&end
#
# 26 LEU HA 26 LEU HN 2.80 (# 478:10 Unique 2.83, 2.84 A)
&rst
ixpk= 478, nxpk= 10, iat= 398, 396, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 23 VAL HA 26 LEU HN 3.50 (# 479:10 Unique 3.55, 3.61 A)
&rst
ixpk= 479, nxpk= 10, iat= 357, 396, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 26 LEU HB+ 26 LEU HN 2.80 (# 480:10 Unique 2.14, 2.53 A)
&rst
ixpk= 480, nxpk= 10, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 400, 401,
&end
#
# 0 AMB 10-2:481 26 LEU HN 2.80 (# 481:10 Single Ambig)
&rst
ixpk= 481, nxpk= 10, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 390, 391, 392, 403,
&end
#
# 26 LEU HB- 26 LEU HN 2.80 (# 482:10 Unique 2.14, 2.53 A)
&rst
ixpk= 482, nxpk= 10, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 400, 401,
&end
#
# 0 AMB 10-2:483 26 LEU HN 2.80 (# 483:10 Single Ambig)
&rst
ixpk= 483, nxpk= 10, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2200,2201,2202,2204,2205,2206,2200,2201,2202,2204,
2205,2206,
&end
#
# 0 AMB 10-2:484 26 LEU HN 3.50 (# 484:10 Single Ambig)
&rst
ixpk= 484, nxpk= 10, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 405, 406, 407, 409, 410, 411, 342, 343, 344, 520,
521, 522, 524, 525, 526,
&end
#
# 145 VAL HN 144 GLN HN 2.80 (# 485:10 Unique 2.70, 2.80 A)
&rst
ixpk= 485, nxpk= 10, iat=2242,2225, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 143 GLU HN 144 GLN HN 3.50 (# 486:10 Unique 2.74, 2.79 A)
&rst
ixpk= 486, nxpk= 10, iat=2210,2225, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:487 144 GLN HN 2.80 (# 487:10 Single Ambig)
&rst
ixpk= 487, nxpk= 10, iat= -1,2225, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2227,2183,
&end
#
# 144 GLN HG+ 144 GLN HN 3.50 (# 488:10 Unique 3.68, 4.26 A)
&rst
ixpk= 488, nxpk= 10, iat= -1,2225, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2232,2233,
&end
#
# 0 AMB 10-2:489 144 GLN HN 3.50 (# 489:10 Single Ambig)
&rst
ixpk= 489, nxpk= 10, iat= -1,2225, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2217,2218,2232,2233,
&end
#
# 0 AMB 10-2:490 144 GLN HN 2.80 (# 490:10 Single Ambig)
&rst
ixpk= 490, nxpk= 10, iat= -1,2225, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2229,2230,2217,2218,
&end
#
# 0 AMB 10-2:491 144 GLN HN 2.80 (# 491:10 Single Ambig)
&rst
ixpk= 491, nxpk= 10, iat= -1,2225, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2229,2230,2214,2215,
&end
#
# 0 AMB 10-2:492 144 GLN HN 4.50 (# 492:10 Single Ambig)
&rst
ixpk= 492, nxpk= 10, iat= -1,2225, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1=2248,2249,2250,2252,2253,2254,1175,1176,1177,1831,
1832,1833,1835,1836,1837,2200,2201,2202,2204,2205,
2206,2200,2201,2202,2204,2205,2206,
&end
#
# 12 LEU HN 11 ILE HN 4.50 (# 493:10 Unique 2.40, 3.03 A)
&rst
ixpk= 493, nxpk= 10, iat= 181, 162, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:494 11 ILE HN 4.50 (# 494:10 Single Ambig)
&rst
ixpk= 494, nxpk= 10, iat= -1, 162, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 164, 262,
&end
#
# 0 AMB 10-2:495 11 ILE HN 3.50 (# 495:10 Single Ambig)
&rst
ixpk= 495, nxpk= 10, iat= -1, 162, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 172, 173, 172, 173,
&end
#
# 10 ASN HA 11 ILE HN 3.50 (# 496:10 Unique 2.14, 2.19 A)
&rst
ixpk= 496, nxpk= 10, iat= 150, 162, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 11 ILE HB 11 ILE HN 4.50 (# 497:10 Unique 3.61, 3.67 A)
&rst
ixpk= 497, nxpk= 10, iat= 166, 162, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 11 ILE MG2 11 ILE HN 2.80 (# 498:10 Unique 1.91, 3.42 A)
&rst
ixpk= 498, nxpk= 10, iat= -1, 162, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 168, 169, 170,
&end
#
# 7 GLY HA+ 8 VAL HN 2.80 (# 499:10 Unique 2.15, 2.79 A)
&rst
ixpk= 499, nxpk= 10, iat= -1, 125, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 120, 121,
&end
#
# 7 GLY HA- 8 VAL HN 2.80 (# 500:10 Unique 2.15, 2.79 A)
&rst
ixpk= 500, nxpk= 10, iat= -1, 125, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 120, 121,
&end
#
# 0 AMB 10-2:501 8 VAL HN 2.80 (# 501:10 Single Ambig)
&rst
ixpk= 501, nxpk= 10, iat= -1, 125, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 131, 132, 133, 135, 136, 137, 131, 132, 133, 135,
136, 137,
&end
#
# 68 LYS HA 69 ASN HN 3.50 (# 502:10 Unique 2.17, 2.55 A)
&rst
ixpk= 502, nxpk= 10, iat=1045,1065, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 42 GLY HA- 43 THR HN 2.80 (# 503:10 Unique 2.16, 2.83 A)
&rst
ixpk= 503, nxpk= 10, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 667, 668,
&end
#
# 0 AMB 10-2:504 48 LEU HN 4.50 (# 504:10 Single Ambig)
&rst
ixpk= 504, nxpk= 10, iat= -1, 735, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 722, 705,
&end
#
# 47 GLU HN 48 LEU HN 3.50 (# 505:10 Unique 2.12, 2.33 A)
&rst
ixpk= 505, nxpk= 10, iat= 720, 735, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 49 LEU HN 48 LEU HN 3.50 (# 506:10 Unique 2.37, 2.48 A)
&rst
ixpk= 506, nxpk= 10, iat= 754, 735, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 48 LEU HB+ 48 LEU HN 2.80 (# 507:10 Unique 2.37, 3.12 A)
&rst
ixpk= 507, nxpk= 10, iat= -1, 735, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 739, 740,
&end
#
# 0 AMB 10-2:508 48 LEU HN 3.50 (# 508:10 Single Ambig)
&rst
ixpk= 508, nxpk= 10, iat= -1, 735, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 761, 742,
&end
#
# 48 LEU HB- 48 LEU HN 3.50 (# 509:10 Unique 2.37, 3.12 A)
&rst
ixpk= 509, nxpk= 10, iat= -1, 735, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 739, 740,
&end
#
# 0 AMB 10-2:510 48 LEU HN 2.80 (# 510:10 Single Ambig)
&rst
ixpk= 510, nxpk= 10, iat= -1, 735, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 744, 745, 746, 748, 749, 750, 744, 745, 746, 748,
749, 750,
&end
#
# 44 ALA HN 43 THR HN 2.80 (# 511:10 Unique 2.59, 2.67 A)
&rst
ixpk= 511, nxpk= 10, iat= 686, 672, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 43 THR HA 43 THR HN 3.50 (# 512:10 Unique 2.28, 2.28 A)
&rst
ixpk= 512, nxpk= 10, iat= 674, 672, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 42 GLY HA+ 43 THR HN 2.80 (# 513:10 Unique 2.16, 2.83 A)
&rst
ixpk= 513, nxpk= 10, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 667, 668,
&end
#
# 43 THR MG2 43 THR HN 3.50 (# 514:10 Unique 2.42, 3.43 A)
&rst
ixpk= 514, nxpk= 10, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 678, 679, 680,
&end
#
# 80 GLU HN 81 GLU HN 3.50 (# 515:10 Unique 2.32, 2.41 A)
&rst
ixpk= 515, nxpk= 10, iat=1236,1251, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 82 VAL HN 81 GLU HN 3.50 (# 516:10 Unique 2.08, 2.30 A)
&rst
ixpk= 516, nxpk= 10, iat=1266,1251, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:517 81 GLU HN 2.80 (# 517:10 Single Ambig)
&rst
ixpk= 517, nxpk= 10, iat= -1,1251, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1253,1238,
&end
#
# 81 GLU HG+ 81 GLU HN 2.80 (# 518:10 Unique 2.34, 3.10 A)
&rst
ixpk= 518, nxpk= 10, iat= -1,1251, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1258,1259,
&end
#
# 0 AMB 10-2:519 81 GLU HN 2.80 (# 519:10 Single Ambig)
&rst
ixpk= 519, nxpk= 10, iat= -1,1251, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1258,1259,1255,1256,
&end
#
# 0 AMB 10-2:520 81 GLU HN 3.50 (# 520:10 Single Ambig)
&rst
ixpk= 520, nxpk= 10, iat= -1,1251, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1255,1256,1240,1241,
&end
#
# 0 AMB 10-2:521 149 LEU HN 2.80 (# 521:10 Single Ambig)
&rst
ixpk= 521, nxpk= 10, iat= -1,2297, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2287, 879,
&end
#
# 0 AMB 10-2:522 149 LEU HN 2.80 (# 522:10 Single Ambig)
&rst
ixpk= 522, nxpk= 10, iat= -1,2297, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2299,2260,
&end
#
# 149 LEU HB+ 149 LEU HN 2.80 (# 523:10 Unique 2.17, 2.88 A)
&rst
ixpk= 523, nxpk= 10, iat= -1,2297, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2301,2302,
&end
#
# 149 LEU HG 149 LEU HN 3.50 (# 524:10 Unique 3.56, 3.71 A)
&rst
ixpk= 524, nxpk= 10, iat=2304,2297, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 148 ALA MB 149 LEU HN 2.80 (# 525:10 Unique 2.44, 3.45 A)
&rst
ixpk= 525, nxpk= 10, iat= -1,2297, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=2291,2292,2293,
&end
#
# 149 LEU HB- 149 LEU HN 3.50 (# 526:10 Unique 2.17, 2.88 A)
&rst
ixpk= 526, nxpk= 10, iat= -1,2297, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2301,2302,
&end
#
# 0 AMB 10-2:527 149 LEU HN 2.80 (# 527:10 Single Ambig)
&rst
ixpk= 527, nxpk= 10, iat= -1,2297, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2306,2307,2308,2310,2311,2312,2306,2307,2308,2310,
2311,2312,
&end
#
# 0 AMB 10-2:528 0 AMB 10-1:528 4.50 (# 528:10 Double Ambig)
&rst
ixpk= 528, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2181,2404,
igr2=2210,2297,
&end
#
# 142 LEU HN 143 GLU HN 3.50 (# 529:10 Unique 2.79, 2.84 A)
&rst
ixpk= 529, nxpk= 10, iat=2191,2210, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 144 GLN HN 143 GLU HN 3.50 (# 530:10 Unique 2.74, 2.79 A)
&rst
ixpk= 530, nxpk= 10, iat=2225,2210, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:531 0 AMB 10-1:531 3.50 (# 531:10 Double Ambig)
&rst
ixpk= 531, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2289,2177,
igr2=2297,2210,
&end
#
# 143 GLU HA 143 GLU HN 2.80 (# 532:10 Unique 2.72, 2.76 A)
&rst
ixpk= 532, nxpk= 10, iat=2212,2210, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 143 GLU HG+ 143 GLU HN 3.50 (# 533:10 Unique 2.10, 3.58 A)
&rst
ixpk= 533, nxpk= 10, iat= -1,2210, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2217,2218,
&end
#
# 143 GLU HB+ 143 GLU HN 2.80 (# 534:10 Unique 2.07, 2.78 A)
&rst
ixpk= 534, nxpk= 10, iat= -1,2210, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2214,2215,
&end
#
# 0 AMB 10-2:535 143 GLU HN 2.80 (# 535:10 Single Ambig)
&rst
ixpk= 535, nxpk= 10, iat= -1,2210, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2195,2196,2195,2196,
&end
#
# 30 TYR HD 30 TYR HN 3.50 (# 536:10 Unique 1.94, 3.63 A)
&rst
ixpk= 536, nxpk= 10, iat= -1, 471, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 479, 488,
&end
#
# 30 TYR HA 30 TYR HN 3.50 (# 537:10 Unique 2.92, 2.94 A)
&rst
ixpk= 537, nxpk= 10, iat= 473, 471, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 29 ARG HA 30 TYR HN 3.50 (# 538:10 Unique 3.51, 3.56 A)
&rst
ixpk= 538, nxpk= 10, iat= 449, 471, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 26 LEU HA 30 TYR HN 4.50 (# 539:10 Unique 2.61, 3.00 A)
&rst
ixpk= 539, nxpk= 10, iat= 398, 471, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 TYR HB+ 30 TYR HN 2.80 (# 540:10 Unique 2.51, 3.13 A)
&rst
ixpk= 540, nxpk= 10, iat= -1, 471, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 475, 476,
&end
#
# 30 TYR HB- 30 TYR HN 3.50 (# 541:10 Unique 2.51, 3.13 A)
&rst
ixpk= 541, nxpk= 10, iat= -1, 471, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 475, 476,
&end
#
# 29 ARG HB+ 30 TYR HN 3.50 (# 542:10 Unique 2.18, 2.73 A)
&rst
ixpk= 542, nxpk= 10, iat= -1, 471, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 451, 452,
&end
#
# 0 AMB 10-2:543 30 TYR HN 3.50 (# 543:10 Single Ambig)
&rst
ixpk= 543, nxpk= 10, iat= -1, 471, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 403, 502, 503,
&end
#
# 17 ALA HN 18 ILE HN 3.50 (# 544:10 Unique 2.00, 2.47 A)
&rst
ixpk= 544, nxpk= 10, iat= 260, 270, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 18 ILE HA 18 ILE HN 2.80 (# 545:10 Unique 2.68, 2.73 A)
&rst
ixpk= 545, nxpk= 10, iat= 272, 270, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 18 ILE HB 18 ILE HN 2.80 (# 546:10 Unique 2.17, 2.27 A)
&rst
ixpk= 546, nxpk= 10, iat= 274, 270, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:547 18 ILE HN 4.50 (# 547:10 Single Ambig)
&rst
ixpk= 547, nxpk= 10, iat= -1, 270, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 264, 265, 266, 319, 320,
&end
#
# 0 AMB 10-2:548 18 ILE HN 2.80 (# 548:10 Single Ambig)
&rst
ixpk= 548, nxpk= 10, iat= -1, 270, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 276, 277, 278,2023,2024,2025,2027,2028,2029,
&end
#
# 0 AMB 10-2:549 18 ILE HN 3.50 (# 549:10 Single Ambig)
&rst
ixpk= 549, nxpk= 10, iat= -1, 270, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2023,2024,2025,2027,2028,2029, 283, 284, 285,
&end
#
# 54 ASN HA 55 ARG HN 3.50 (# 550:10 Unique 2.15, 2.24 A)
&rst
ixpk= 550, nxpk= 10, iat= 821, 833, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 55 ARG HB- 55 ARG HN 3.50 (# 551:10 Unique 2.65, 3.52 A)
&rst
ixpk= 551, nxpk= 10, iat= -1, 833, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 837, 838,
&end
#
# 0 AMB 10-2:552 0 AMB 10-1:552 3.50 (# 552:10 Double Ambig)
&rst
ixpk= 552, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2154,2183,2318,
igr2=2210,2297,
&end
#
# 135 GLU HN 136 ALA HN 3.50 (# 553:10 Unique 2.64, 2.70 A)
&rst
ixpk= 553, nxpk= 10, iat=2091,2106, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 137 MET HN 136 ALA HN 3.50 (# 554:10 Unique 2.30, 2.47 A)
&rst
ixpk= 554, nxpk= 10, iat=2116,2106, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 136 ALA HA 136 ALA HN 2.80 (# 555:10 Unique 2.83, 2.87 A)
&rst
ixpk= 555, nxpk= 10, iat=2108,2106, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:556 136 ALA HN 4.50 (# 556:10 Single Ambig)
&rst
ixpk= 556, nxpk= 10, iat= -1,2106, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2093,2063,
&end
#
# 0 AMB 10-2:557 136 ALA HN 3.50 (# 557:10 Single Ambig)
&rst
ixpk= 557, nxpk= 10, iat= -1,2106, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=2098,2099,2120,2121,2120,2121,2079,
&end
#
# 135 GLU HB- 136 ALA HN 2.80 (# 558:10 Unique 2.88, 3.51 A)
&rst
ixpk= 558, nxpk= 10, iat= -1,2106, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2095,2096,
&end
#
# 136 ALA MB 136 ALA HN 2.80 (# 559:10 Unique 2.19, 2.92 A)
&rst
ixpk= 559, nxpk= 10, iat= -1,2106, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=2110,2111,2112,
&end
#
# 112 LYS HN 113 LYS HN 2.80 (# 560:10 Unique 2.18, 2.84 A)
&rst
ixpk= 560, nxpk= 10, iat=1729,1751, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 57 HIS HA 113 LYS HN 3.50 (# 561:10 Unique 2.83, 3.24 A)
&rst
ixpk= 561, nxpk= 10, iat= 871,1751, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 113 LYS HA 113 LYS HN 3.50 (# 562:10 Unique 2.90, 2.93 A)
&rst
ixpk= 562, nxpk= 10, iat=1753,1751, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 112 LYS HA 113 LYS HN 4.50 (# 563:10 Unique 3.50, 3.55 A)
&rst
ixpk= 563, nxpk= 10, iat=1731,1751, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 112 LYS HB+ 113 LYS HN 3.50 (# 564:10 Unique 2.39, 2.93 A)
&rst
ixpk= 564, nxpk= 10, iat= -1,1751, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1733,1734,
&end
#
# 0 AMB 10-2:565 113 LYS HN 3.50 (# 565:10 Single Ambig)
&rst
ixpk= 565, nxpk= 10, iat= -1,1751, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1733,1734,1722,1723,
&end
#
# 111 PRO HB- 113 LYS HN 3.50 (# 566:10 Unique 2.46, 3.63 A)
&rst
ixpk= 566, nxpk= 10, iat= -1,1751, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1722,1723,
&end
#
# 0 AMB 10-2:567 113 LYS HN 2.80 (# 567:10 Single Ambig)
&rst
ixpk= 567, nxpk= 10, iat= -1,1751, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1755,1756,1719,1720,1758,1759,
&end
#
# 91 SER HA 91 SER HN 3.50 (# 568:10 Unique 2.86, 2.93 A)
&rst
ixpk= 568, nxpk= 10, iat=1416,1414, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:569 91 SER HN 2.80 (# 569:10 Single Ambig)
&rst
ixpk= 569, nxpk= 10, iat= -1,1414, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1418,1419,1418,1419,
&end
#
# 0 AMB 10-2:570 160 SER HN 3.50 (# 570:10 Single Ambig)
&rst
ixpk= 570, nxpk= 10, iat= -1,2471, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=2449,2434,2435,
&end
#
# 90 ILE HN 91 SER HN 3.50 (# 571:10 Unique 1.88, 2.41 A)
&rst
ixpk= 571, nxpk= 10, iat=1395,1414, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 90 ILE HB 91 SER HN 2.80 (# 572:10 Unique 1.94, 2.57 A)
&rst
ixpk= 572, nxpk= 10, iat=1399,1414, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:573 104 LEU HN 3.50 (# 573:10 Single Ambig)
&rst
ixpk= 573, nxpk= 10, iat= -1,1596, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1598,1588,
&end
#
# 104 LEU HB+ 104 LEU HN 3.50 (# 574:10 Unique 2.05, 2.59 A)
&rst
ixpk= 574, nxpk= 10, iat= -1,1596, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1600,1601,
&end
#
# 0 AMB 10-2:575 104 LEU HN 3.50 (# 575:10 Single Ambig)
&rst
ixpk= 575, nxpk= 10, iat= -1,1596, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1590,1591,1592, 761,
&end
#
# 0 AMB 10-2:576 104 LEU HN 2.80 (# 576:10 Single Ambig)
&rst
ixpk= 576, nxpk= 10, iat= -1,1596, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1586,1615,
&end
#
# 0 AMB 10-2:577 104 LEU HN 4.50 (# 577:10 Single Ambig)
&rst
ixpk= 577, nxpk= 10, iat= -1,1596, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1603, 714, 715, 716,1544, 796, 797,
&end
#
# 85 LEU HN 84 ALA HN 3.50 (# 578:10 Unique 2.18, 2.54 A)
&rst
ixpk= 578, nxpk= 10, iat=1306,1296, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 83 PRO HD- 82 VAL HN 2.80 (# 579:10 Unique 2.17, 2.78 A)
&rst
ixpk= 579, nxpk= 10, iat= -1,1266, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1283,1284,
&end
#
# 65 VAL HN 66 SER HN 3.50 (# 580:10 Unique 2.80, 3.02 A)
&rst
ixpk= 580, nxpk= 10, iat= 994,1010, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 66 SER HA 66 SER HN 3.50 (# 581:10 Unique 2.28, 2.72 A)
&rst
ixpk= 581, nxpk= 10, iat=1012,1010, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 65 VAL HA 66 SER HN 3.50 (# 582:10 Unique 2.27, 2.67 A)
&rst
ixpk= 582, nxpk= 10, iat= 996,1010, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:583 66 SER HN 3.50 (# 583:10 Single Ambig)
&rst
ixpk= 583, nxpk= 10, iat= -1,1010, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1000,1001,1002,1004,1005,1006,1000,1001,1002,1004,
1005,1006,1401,1402,1403,
&end
#
# 0 AMB 10-2:584 84 ALA HN 2.80 (# 584:10 Single Ambig)
&rst
ixpk= 584, nxpk= 10, iat= -1,1296, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1298,1253,
&end
#
# 84 ALA MB 84 ALA HN 2.80 (# 585:10 Unique 2.08, 2.90 A)
&rst
ixpk= 585, nxpk= 10, iat= -1,1296, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1300,1301,1302,
&end
#
# 81 GLU HN 82 VAL HN 3.50 (# 586:10 Unique 2.08, 2.30 A)
&rst
ixpk= 586, nxpk= 10, iat=1251,1266, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:587 82 VAL HN 3.50 (# 587:10 Single Ambig)
&rst
ixpk= 587, nxpk= 10, iat= -1,1266, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1253,1238,
&end
#
# 0 AMB 10-2:588 82 VAL HN 2.80 (# 588:10 Single Ambig)
&rst
ixpk= 588, nxpk= 10, iat= -1,1266, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1283,1284,1268,
&end
#
# 82 VAL MGX 82 VAL HN 2.80 (# 589:10 Unique 1.57, 3.40 A)
&rst
ixpk= 589, nxpk= 10, iat= -1,1266, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1272,1273,1274,1276,1277,1278,
&end
#
# 0 AMB 10-2:590 0 AMB 10-1:590 2.80 (# 590:10 Double Ambig)
&rst
ixpk= 590, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 784, 785,1270,
igr2= 792,1266,
&end
#
# 0 AMB 10-2:591 0 AMB 10-1:591 2.80 (# 591:10 Double Ambig)
&rst
ixpk= 591, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1255,1256, 796, 797,
igr2=1266, 792,
&end
#
# 0 AMB 10-2:592 0 AMB 10-1:592 3.50 (# 592:10 Double Ambig)
&rst
ixpk= 592, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 813, 814, 815, 106,1300,1301,1302,1310,1311, 840,
841,
igr2= 792,1266,
&end
#
# 0 AMB 10-2:593 0 AMB 10-1:593 2.80 (# 593:10 Double Ambig)
&rst
ixpk= 593, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1605,1606,1607,1609,1610,1611,1190,1191,1192,1194,
1195,1196,1190,1191,1192,1194,1195,1196, 108, 109,
110, 112, 113, 114,
igr2= 792,1266,
&end
#
# 81 GLU HB+ 82 VAL HN 4.50 (# 594:10 Unique 2.30, 2.99 A)
&rst
ixpk= 594, nxpk= 10, iat= -1,1266, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1255,1256,
&end
#
# 11 ILE HN 12 LEU HN 3.50 (# 595:10 Unique 2.40, 3.03 A)
&rst
ixpk= 595, nxpk= 10, iat= 162, 181, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 13 LEU HN 12 LEU HN 2.80 (# 596:10 Unique 1.62, 1.84 A)
&rst
ixpk= 596, nxpk= 10, iat= 200, 181, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 12 LEU HA 12 LEU HN 3.50 (# 597:10 Unique 2.89, 2.92 A)
&rst
ixpk= 597, nxpk= 10, iat= 183, 181, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:598 12 LEU HN 2.80 (# 598:10 Single Ambig)
&rst
ixpk= 598, nxpk= 10, iat= -1, 181, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 185, 186, 185, 186, 188, 204, 205,
&end
#
# 0 AMB 10-2:599 12 LEU HN 3.50 (# 599:10 Single Ambig)
&rst
ixpk= 599, nxpk= 10, iat= -1, 181, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 172, 173, 172, 173,
&end
#
# 0 AMB 10-2:600 12 LEU HN 3.50 (# 600:10 Single Ambig)
&rst
ixpk= 600, nxpk= 10, iat= -1, 181, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 175, 176, 177, 209, 210, 211, 213, 214, 215, 190,
191, 192, 194, 195, 196,
&end
#
# 0 AMB 10-2:601 12 LEU HN 4.50 (# 601:10 Single Ambig)
&rst
ixpk= 601, nxpk= 10, iat= -1, 181, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 190, 191, 192, 194, 195, 196,2001,2002,2003,
&end
#
# 127 HIS HN 14 THR HN 2.80 (# 602:10 Unique 2.99, 3.18 A)
&rst
ixpk= 602, nxpk= 10, iat=1971, 219, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 14 THR HG1 14 THR HN 3.50 (# 603:10 Unique 2.62, 2.95 A)
&rst
ixpk= 603, nxpk= 10, iat= 229, 219, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:604 14 THR HN 2.80 (# 604:10 Single Ambig)
&rst
ixpk= 604, nxpk= 10, iat= -1, 219, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 202,1967,
&end
#
# 128 ILE HA 14 THR HN 3.50 (# 605:10 Unique 1.90, 2.88 A)
&rst
ixpk= 605, nxpk= 10, iat=1990, 219, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 14 THR HA 14 THR HN 2.80 (# 606:10 Unique 2.28, 2.28 A)
&rst
ixpk= 606, nxpk= 10, iat= 221, 219, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:607 14 THR HN 3.50 (# 607:10 Single Ambig)
&rst
ixpk= 607, nxpk= 10, iat= -1, 219, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1998,1999, 204, 205, 225, 226, 227,1992,
&end
#
# 53 ALA HN 52 MET HN 2.80 (# 608:10 Unique 1.79, 2.34 A)
&rst
ixpk= 608, nxpk= 10, iat= 809, 792, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:609 52 MET HN 2.80 (# 609:10 Single Ambig)
&rst
ixpk= 609, nxpk= 10, iat= -1, 792, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 799, 800, 784, 785,
&end
#
# 51 ASP HN 52 MET HN 2.80 (# 610:10 Unique 2.08, 2.51 A)
&rst
ixpk= 610, nxpk= 10, iat= 780, 792, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:611 52 MET HN 2.80 (# 611:10 Single Ambig)
&rst
ixpk= 611, nxpk= 10, iat= -1, 792, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 794, 756,
&end
#
# 52 MET HB- 52 MET HN 2.80 (# 612:10 Unique 2.59, 3.34 A)
&rst
ixpk= 612, nxpk= 10, iat= -1, 792, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 796, 797,
&end
#
# 138 ILE HN 139 GLU HN 3.50 (# 613:10 Unique 2.61, 2.65 A)
&rst
ixpk= 613, nxpk= 10, iat=2133,2152, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:614 139 GLU HN 3.50 (# 614:10 Single Ambig)
&rst
ixpk= 614, nxpk= 10, iat= -1,2152, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2154,2108,
&end
#
# 140 PRO HD+ 139 GLU HN 2.80 (# 615:10 Unique 1.92, 2.54 A)
&rst
ixpk= 615, nxpk= 10, iat= -1,2152, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2168,2169,
&end
#
# 140 PRO HD- 139 GLU HN 3.50 (# 616:10 Unique 1.92, 2.54 A)
&rst
ixpk= 616, nxpk= 10, iat= -1,2152, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2168,2169,
&end
#
# 0 AMB 10-2:617 139 GLU HN 2.80 (# 617:10 Single Ambig)
&rst
ixpk= 617, nxpk= 10, iat= -1,2152, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=2159,2160,2159,2160,2171,2172,
&end
#
# 139 GLU HB+ 139 GLU HN 2.80 (# 618:10 Unique 2.09, 2.75 A)
&rst
ixpk= 618, nxpk= 10, iat= -1,2152, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2156,2157,
&end
#
# 138 ILE HB 139 GLU HN 2.80 (# 619:10 Unique 2.62, 2.74 A)
&rst
ixpk= 619, nxpk= 10, iat=2137,2152, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:620 139 GLU HN 3.50 (# 620:10 Single Ambig)
&rst
ixpk= 620, nxpk= 10, iat= -1,2152, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=2139,2140,2141,2143,2144,
&end
#
# 0 AMB 10-2:621 27 GLU HN 2.80 (# 621:10 Single Ambig)
&rst
ixpk= 621, nxpk= 10, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 430, 396,
&end
#
# 0 AMB 10-2:622 27 GLU HN 3.50 (# 622:10 Single Ambig)
&rst
ixpk= 622, nxpk= 10, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 373, 388,
&end
#
# 26 LEU HB+ 27 GLU HN 2.80 (# 623:10 Unique 2.33, 3.09 A)
&rst
ixpk= 623, nxpk= 10, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 400, 401,
&end
#
# 0 AMB 10-2:624 27 GLU HN 2.80 (# 624:10 Single Ambig)
&rst
ixpk= 624, nxpk= 10, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 419, 420, 419, 420,
&end
#
# 0 AMB 10-2:625 27 GLU HN 4.50 (# 625:10 Single Ambig)
&rst
ixpk= 625, nxpk= 10, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 403, 618, 619,
&end
#
# 26 LEU HB- 27 GLU HN 3.50 (# 626:10 Unique 2.33, 3.09 A)
&rst
ixpk= 626, nxpk= 10, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 400, 401,
&end
#
# 0 AMB 10-2:627 27 GLU HN 3.50 (# 627:10 Single Ambig)
&rst
ixpk= 627, nxpk= 10, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 614, 615, 616, 621, 622, 623, 405, 406, 407, 409,
410, 411, 520, 521, 522, 524, 525, 526,
&end
#
# 87 THR HN 86 PHE HN 3.50 (# 628:10 Unique 2.70, 2.78 A)
&rst
ixpk= 628, nxpk= 10, iat=1345,1325, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 86 PHE HB+ 86 PHE HN 3.50 (# 629:10 Unique 2.53, 3.11 A)
&rst
ixpk= 629, nxpk= 10, iat= -1,1325, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1329,1330,
&end
#
# 86 PHE HB- 86 PHE HN 3.50 (# 630:10 Unique 2.53, 3.11 A)
&rst
ixpk= 630, nxpk= 10, iat= -1,1325, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1329,1330,
&end
#
# 85 LEU HB+ 86 PHE HN 3.50 (# 631:10 Unique 2.28, 3.14 A)
&rst
ixpk= 631, nxpk= 10, iat= -1,1325, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1310,1311,
&end
#
# 85 LEU HB- 86 PHE HN 4.50 (# 632:10 Unique 2.28, 3.14 A)
&rst
ixpk= 632, nxpk= 10, iat= -1,1325, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1310,1311,
&end
#
# 86 PHE HA 86 PHE HN 3.50 (# 633:10 Unique 2.73, 2.75 A)
&rst
ixpk= 633, nxpk= 10, iat=1327,1325, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 22 ILE HN 21 ARG HN 3.50 (# 634:10 Unique 2.67, 2.73 A)
&rst
ixpk= 634, nxpk= 10, iat= 336, 312, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 27 GLU HN 28 GLN HN 2.80 (# 635:10 Unique 2.44, 2.56 A)
&rst
ixpk= 635, nxpk= 10, iat= 415, 430, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 20 VAL HN 21 ARG HN 3.50 (# 636:10 Unique 2.21, 2.42 A)
&rst
ixpk= 636, nxpk= 10, iat= 296, 312, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:637 0 AMB 10-1:637 2.80 (# 637:10 Double Ambig)
&rst
ixpk= 637, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 314, 388, 417,
igr2= 312, 430,
&end
#
# 0 AMB 10-2:638 28 GLN HN 2.80 (# 638:10 Single Ambig)
&rst
ixpk= 638, nxpk= 10, iat= -1, 430, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 432, 398,
&end
#
# 0 AMB 10-2:639 21 ARG HN 4.50 (# 639:10 Single Ambig)
&rst
ixpk= 639, nxpk= 10, iat= -1, 312, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 272, 262,
&end
#
# 28 GLN HG+ 28 GLN HN 3.50 (# 640:10 Unique 2.36, 3.45 A)
&rst
ixpk= 640, nxpk= 10, iat= -1, 430, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 437, 438,
&end
#
# 0 AMB 10-2:641 28 GLN HN 4.50 (# 641:10 Single Ambig)
&rst
ixpk= 641, nxpk= 10, iat= -1, 430, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 422, 423, 422, 423, 437, 438,
&end
#
# 0 AMB 10-2:642 28 GLN HN 4.50 (# 642:10 Single Ambig)
&rst
ixpk= 642, nxpk= 10, iat= -1, 430, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 422, 423, 422, 423,
&end
#
# 0 AMB 10-2:643 28 GLN HN 2.80 (# 643:10 Single Ambig)
&rst
ixpk= 643, nxpk= 10, iat= -1, 430, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 434, 435, 419, 420, 419, 420,
&end
#
# 0 AMB 10-2:644 21 ARG HN 2.80 (# 644:10 Single Ambig)
&rst
ixpk= 644, nxpk= 10, iat= -1, 312, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 300, 375, 376,
&end
#
# 21 ARG HG+ 21 ARG HN 3.50 (# 645:10 Unique 1.81, 2.67 A)
&rst
ixpk= 645, nxpk= 10, iat= -1, 312, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 319, 320,
&end
#
# 21 ARG HG- 21 ARG HN 3.50 (# 646:10 Unique 1.81, 2.67 A)
&rst
ixpk= 646, nxpk= 10, iat= -1, 312, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 319, 320,
&end
#
# 0 AMB 10-2:647 0 AMB 10-1:647 4.50 (# 647:10 Double Ambig)
&rst
ixpk= 647, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.39, r4= 8.89,
igr1=2023,2024,2025,2027,2028,2029, 283, 284, 285,2146,
2147,2148, 361, 362, 363, 365, 366, 367, 505, 506,
507,
igr2= 312, 430,
&end
#
# 0 AMB 10-2:648 21 ARG HN 2.80 (# 648:10 Single Ambig)
&rst
ixpk= 648, nxpk= 10, iat= -1, 312, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 302, 303, 304, 306, 307, 308, 302, 303, 304, 306,
307, 308,
&end
#
# 0 AMB 10-2:649 7 GLY HN 2.80 (# 649:10 Single Ambig)
&rst
ixpk= 649, nxpk= 10, iat= -1, 118, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 120, 121, 648,
&end
#
# 23 VAL MGY 7 GLY HN 3.50 (# 650:10 Unique 3.00, 4.51 A)
&rst
ixpk= 650, nxpk= 10, iat= -1, 118, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 361, 362, 363, 365, 366, 367,
&end
#
# 0 AMB 10-2:651 7 GLY HN 2.80 (# 651:10 Single Ambig)
&rst
ixpk= 651, nxpk= 10, iat= -1, 118, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 108, 109, 110, 112, 113, 114, 361, 362, 363, 365,
366, 367, 636, 637, 638, 640, 641, 642, 131, 132,
133, 135, 136, 137,
&end
#
# 6 LEU HA 7 GLY HN 2.80 (# 652:10 Unique 2.17, 2.21 A)
&rst
ixpk= 652, nxpk= 10, iat= 101, 118, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 7 GLY HA- 7 GLY HN 3.50 (# 653:10 Unique 2.47, 2.76 A)
&rst
ixpk= 653, nxpk= 10, iat= -1, 118, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 120, 121,
&end
#
# 3 ILE HA 57 HIS HN 3.50 (# 654:10 Unique 2.58, 2.89 A)
&rst
ixpk= 654, nxpk= 10, iat= 47, 869, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 56 ASP HN 57 HIS HN 3.50 (# 655:10 Unique 2.15, 2.47 A)
&rst
ixpk= 655, nxpk= 10, iat= 857, 869, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 54 ASN HB+ 54 ASN HD2+ 3.50 (# 656:10 Unique 2.12, 3.33 A)
&rst
ixpk= 656, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 823, 824,
igr2= 828, 829,
&end
#
# 54 ASN HB- 54 ASN HD2+ 2.80 (# 657:10 Unique 2.12, 3.33 A)
&rst
ixpk= 657, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 823, 824,
igr2= 828, 829,
&end
#
# 53 ALA MB 54 ASN HD2+ 3.50 (# 658:10 Unique 2.25, 4.21 A)
&rst
ixpk= 658, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 813, 814, 815,
igr2= 828, 829,
&end
#
# 54 ASN HB+ 54 ASN HD2- 4.50 (# 659:10 Unique 2.12, 3.33 A)
&rst
ixpk= 659, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 823, 824,
igr2= 828, 829,
&end
#
# 54 ASN HB- 54 ASN HD2- 3.50 (# 660:10 Unique 2.12, 3.33 A)
&rst
ixpk= 660, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 823, 824,
igr2= 828, 829,
&end
#
# 0 AMB 10-2:661 54 ASN HD2- 3.50 (# 661:10 Single Ambig)
&rst
ixpk= 661, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1687,1688,1687,1688,
igr2= 828, 829,
&end
#
# 53 ALA MB 54 ASN HD2- 4.50 (# 662:10 Unique 2.25, 4.21 A)
&rst
ixpk= 662, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 813, 814, 815,
igr2= 828, 829,
&end
#
# 69 ASN HA 70 THR HN 2.80 (# 664:10 Unique 2.22, 2.51 A)
&rst
ixpk= 664, nxpk= 10, iat=1067,1079, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 29 ARG HA 29 ARG HN 3.50 (# 665:10 Unique 2.90, 2.91 A)
&rst
ixpk= 665, nxpk= 10, iat= 449, 447, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:666 29 ARG HN 3.50 (# 666:10 Single Ambig)
&rst
ixpk= 666, nxpk= 10, iat= -1, 447, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 398, 432,
&end
#
# 0 AMB 10-2:667 29 ARG HN 2.80 (# 667:10 Single Ambig)
&rst
ixpk= 667, nxpk= 10, iat= -1, 447, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 451, 452, 454, 455,
&end
#
# 28 GLN HB- 29 ARG HN 2.80 (# 668:10 Unique 2.90, 3.59 A)
&rst
ixpk= 668, nxpk= 10, iat= -1, 447, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 434, 435,
&end
#
# 29 ARG HB- 29 ARG HN 2.80 (# 669:10 Unique 2.29, 2.95 A)
&rst
ixpk= 669, nxpk= 10, iat= -1, 447, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 451, 452,
&end
#
# 154 VAL HN 152 SER HN 4.50 (# 670:10 Unique 3.42, 3.57 A)
&rst
ixpk= 670, nxpk= 10, iat=2373,2355, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 149 LEU HA 152 SER HN 3.50 (# 671:10 Unique 3.01, 3.17 A)
&rst
ixpk= 671, nxpk= 10, iat=2299,2355, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 72 GLY HN 73 THR HN 3.50 (# 672:10 Unique 2.54, 2.79 A)
&rst
ixpk= 672, nxpk= 10, iat=1107,1114, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:674 73 THR HN 2.80 (# 674:10 Single Ambig)
&rst
ixpk= 674, nxpk= 10, iat= -1,1114, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1109,1110,1116,
&end
#
# 73 THR HB 73 THR HN 2.80 (# 675:10 Unique 2.32, 2.54 A)
&rst
ixpk= 675, nxpk= 10, iat=1118,1114, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 120 ILE HB 73 THR HN 3.50 (# 676:10 Unique 1.92, 2.07 A)
&rst
ixpk= 676, nxpk= 10, iat=1868,1114, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:677 73 THR HN 4.50 (# 677:10 Single Ambig)
&rst
ixpk= 677, nxpk= 10, iat= -1,1114, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1874,1875,1874,1875,
&end
#
# 73 THR MG2 73 THR HN 3.50 (# 678:10 Unique 3.10, 3.98 A)
&rst
ixpk= 678, nxpk= 10, iat= -1,1114, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1120,1121,1122,
&end
#
# 0 AMB 10-2:679 73 THR HN 3.50 (# 679:10 Single Ambig)
&rst
ixpk= 679, nxpk= 10, iat= -1,1114, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1870,1871,1872,2067,2068,2069,
&end
#
# 0 AMB 10-2:680 73 THR HN 4.50 (# 680:10 Single Ambig)
&rst
ixpk= 680, nxpk= 10, iat= -1,1114, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1877,1878,1879,1854,1855,1856,1858,1859,1860,
&end
#
# 0 AMB 10-2:681 152 SER HN 3.50 (# 681:10 Single Ambig)
&rst
ixpk= 681, nxpk= 10, iat= -1,2355, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2342,2318,2368,2369,
&end
#
# 0 AMB 10-2:682 152 SER HN 2.80 (# 682:10 Single Ambig)
&rst
ixpk= 682, nxpk= 10, iat= -1,2355, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2340,2366,
&end
#
# 152 SER HA 152 SER HN 3.50 (# 683:10 Unique 2.83, 2.87 A)
&rst
ixpk= 683, nxpk= 10, iat=2357,2355, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 152 SER HB+ 152 SER HN 3.50 (# 684:10 Unique 2.11, 2.65 A)
&rst
ixpk= 684, nxpk= 10, iat= -1,2355, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2359,2360,
&end
#
# 152 SER HB- 152 SER HN 2.80 (# 685:10 Unique 2.11, 2.65 A)
&rst
ixpk= 685, nxpk= 10, iat= -1,2355, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2359,2360,
&end
#
# 103 ALA HN 102 SER HN 2.80 (# 686:10 Unique 2.48, 2.71 A)
&rst
ixpk= 686, nxpk= 10, iat=1586,1575, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 102 SER HB+ 102 SER HN 2.80 (# 687:10 Unique 2.07, 2.77 A)
&rst
ixpk= 687, nxpk= 10, iat= -1,1575, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1579,1580,
&end
#
# 0 AMB 10-2:688 137 MET HN 4.50 (# 688:10 Single Ambig)
&rst
ixpk= 688, nxpk= 10, iat= -1,2116, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 283, 284, 285,2023,2024,2025,2027,2028,2029,
&end
#
# 102 SER HA 102 SER HN 3.50 (# 689:10 Unique 2.77, 2.80 A)
&rst
ixpk= 689, nxpk= 10, iat=1577,1575, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 102 SER HB- 102 SER HN 2.80 (# 690:10 Unique 2.07, 2.77 A)
&rst
ixpk= 690, nxpk= 10, iat= -1,1575, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1579,1580,
&end
#
# 138 ILE HN 137 MET HN 2.80 (# 691:10 Unique 2.54, 2.62 A)
&rst
ixpk= 691, nxpk= 10, iat=2133,2116, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 136 ALA HN 137 MET HN 3.50 (# 692:10 Unique 2.30, 2.47 A)
&rst
ixpk= 692, nxpk= 10, iat=2106,2116, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 137 MET HA 137 MET HN 3.50 (# 693:10 Unique 2.79, 2.82 A)
&rst
ixpk= 693, nxpk= 10, iat=2118,2116, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 136 ALA HA 137 MET HN 4.50 (# 694:10 Unique 3.34, 3.37 A)
&rst
ixpk= 694, nxpk= 10, iat=2108,2116, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 134 VAL HA 137 MET HN 4.50 (# 695:10 Unique 3.15, 3.38 A)
&rst
ixpk= 695, nxpk= 10, iat=2077,2116, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 137 MET HG+ 137 MET HN 3.50 (# 696:10 Unique 2.21, 3.15 A)
&rst
ixpk= 696, nxpk= 10, iat= -1,2116, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2123,2124,
&end
#
# 137 MET HG- 137 MET HN 3.50 (# 697:10 Unique 2.21, 3.15 A)
&rst
ixpk= 697, nxpk= 10, iat= -1,2116, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2123,2124,
&end
#
# 0 AMB 10-2:698 137 MET HN 2.80 (# 698:10 Single Ambig)
&rst
ixpk= 698, nxpk= 10, iat= -1,2116, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2120,2121,2120,2121,
&end
#
# 136 ALA MB 137 MET HN 3.50 (# 699:10 Unique 3.24, 3.91 A)
&rst
ixpk= 699, nxpk= 10, iat= -1,2116, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=2110,2111,2112,
&end
#
# 144 GLN HG+ 144 GLN HE2- 3.50 (# 700:10 Unique 2.14, 3.35 A)
&rst
ixpk= 700, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2232,2233,
igr2=2237,2238,
&end
#
# 144 GLN HG- 144 GLN HE2- 3.50 (# 701:10 Unique 2.14, 3.35 A)
&rst
ixpk= 701, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2232,2233,
igr2=2237,2238,
&end
#
# 22 ILE HB 23 VAL HN 2.80 (# 702:10 Unique 1.85, 2.01 A)
&rst
ixpk= 702, nxpk= 10, iat= 340, 355, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 144 GLN HG+ 144 GLN HE2+ 3.50 (# 704:10 Unique 2.14, 3.35 A)
&rst
ixpk= 704, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2232,2233,
igr2=2237,2238,
&end
#
# 144 GLN HG- 144 GLN HE2+ 4.50 (# 705:10 Unique 2.14, 3.35 A)
&rst
ixpk= 705, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2232,2233,
igr2=2237,2238,
&end
#
# 0 AMB 10-2:706 88 ASN HD2- 3.50 (# 706:10 Single Ambig)
&rst
ixpk= 706, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1363,1364,1363,1364,
igr2=1368,1369,
&end
#
# 22 ILE HN 23 VAL HN 3.50 (# 707:10 Unique 2.89, 3.02 A)
&rst
ixpk= 707, nxpk= 10, iat= 336, 355, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 24 GLU HN 23 VAL HN 3.50 (# 708:10 Unique 2.74, 2.80 A)
&rst
ixpk= 708, nxpk= 10, iat= 371, 355, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 VAL HA 23 VAL HN 3.50 (# 709:10 Unique 2.72, 2.75 A)
&rst
ixpk= 709, nxpk= 10, iat= 357, 355, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:710 23 VAL HN 3.50 (# 710:10 Single Ambig)
&rst
ixpk= 710, nxpk= 10, iat= -1, 355, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 359, 378, 379, 375, 376,
&end
#
# 23 VAL MGY 23 VAL HN 2.80 (# 711:10 Unique 1.90, 3.04 A)
&rst
ixpk= 711, nxpk= 10, iat= -1, 355, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 361, 362, 363, 365, 366, 367,
&end
#
# 23 VAL MGX 23 VAL HN 2.80 (# 712:10 Unique 1.90, 3.04 A)
&rst
ixpk= 712, nxpk= 10, iat= -1, 355, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 361, 362, 363, 365, 366, 367,
&end
#
# 0 AMB 10-2:713 23 VAL HN 4.50 (# 713:10 Single Ambig)
&rst
ixpk= 713, nxpk= 10, iat= -1, 355, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 614, 615, 616, 405, 406, 407, 409, 410, 411, 302,
303, 304, 306, 307, 308,2248,2249,2250,2252,2253,
2254, 621, 622, 623,
&end
#
# 22 ILE MG2 23 VAL HN 3.50 (# 714:10 Unique 2.27, 3.53 A)
&rst
ixpk= 714, nxpk= 10, iat= -1, 355, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 342, 343, 344,
&end
#
# 0 AMB 10-2:715 0 AMB 10-1:715 4.50 (# 715:10 Double Ambig)
&rst
ixpk= 715, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1363,1364,1363,1364,
igr2=1368,1369,1368,1369,
&end
#
# 53 ALA HA 54 ASN HN 4.50 (# 716:10 Unique 3.21, 3.51 A)
&rst
ixpk= 716, nxpk= 10, iat= 811, 819, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:717 54 ASN HN 3.50 (# 717:10 Single Ambig)
&rst
ixpk= 717, nxpk= 10, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1684,1685,1687,1688,1687,1688,
&end
#
# 53 ALA MB 54 ASN HN 3.50 (# 718:10 Unique 1.94, 3.13 A)
&rst
ixpk= 718, nxpk= 10, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 813, 814, 815,
&end
#
# 54 ASN HA 54 ASN HN 2.80 (# 719:10 Unique 2.77, 2.88 A)
&rst
ixpk= 719, nxpk= 10, iat= 821, 819, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 42 GLY HN 41 GLY HN 2.80 (# 720:10 Unique 2.76, 2.85 A)
&rst
ixpk= 720, nxpk= 10, iat= 665, 658, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:721 41 GLY HN 2.80 (# 721:10 Single Ambig)
&rst
ixpk= 721, nxpk= 10, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 131, 132, 133, 135, 136, 137, 131, 132, 133, 135,
136, 137, 636, 637, 638, 640, 641, 642,
&end
#
# 0 AMB 10-2:722 41 GLY HN 2.80 (# 722:10 Single Ambig)
&rst
ixpk= 722, nxpk= 10, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 648, 127,
&end
#
# 41 GLY HA+ 41 GLY HN 3.50 (# 723:10 Unique 2.29, 2.56 A)
&rst
ixpk= 723, nxpk= 10, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 660, 661,
&end
#
# 41 GLY HA- 41 GLY HN 2.80 (# 724:10 Unique 2.29, 2.56 A)
&rst
ixpk= 724, nxpk= 10, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 660, 661,
&end
#
# 122 GLU HN 123 SER HN 2.80 (# 725:10 Unique 1.89, 2.15 A)
&rst
ixpk= 725, nxpk= 10, iat=1897,1912, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:726 123 SER HN 3.50 (# 726:10 Single Ambig)
&rst
ixpk= 726, nxpk= 10, iat= -1,1912, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1899,1893,
&end
#
# 123 SER HB+ 123 SER HN 3.50 (# 727:10 Unique 2.33, 3.09 A)
&rst
ixpk= 727, nxpk= 10, iat= -1,1912, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1916,1917,
&end
#
# 123 SER HB- 123 SER HN 3.50 (# 728:10 Unique 2.33, 3.09 A)
&rst
ixpk= 728, nxpk= 10, iat= -1,1912, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1916,1917,
&end
#
# 15 ASP HB+ 123 SER HN 4.50 (# 729:10 Unique 3.56, 4.29 A)
&rst
ixpk= 729, nxpk= 10, iat= -1,1912, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 237, 238,
&end
#
# 122 GLU HB+ 123 SER HN 3.50 (# 730:10 Unique 1.92, 3.22 A)
&rst
ixpk= 730, nxpk= 10, iat= -1,1912, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1901,1902,
&end
#
# 122 GLU HB- 123 SER HN 3.50 (# 731:10 Unique 1.92, 3.22 A)
&rst
ixpk= 731, nxpk= 10, iat= -1,1912, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1901,1902,
&end
#
# 131 THR MG2 123 SER HN 2.80 (# 732:10 Unique 2.08, 3.71 A)
&rst
ixpk= 732, nxpk= 10, iat= -1,1912, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=2039,2040,2041,
&end
#
# 0 AMB 10-2:733 123 SER HN 3.50 (# 733:10 Single Ambig)
&rst
ixpk= 733, nxpk= 10, iat= -1,1912, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2081,2082,2083,2085,2086,2087,2081,2082,2083,2085,
2086,2087,
&end
#
# 19 GLY HA- 19 GLY HN 3.50 (# 734:10 Unique 2.29, 2.57 A)
&rst
ixpk= 734, nxpk= 10, iat= -1, 289, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 291, 292,
&end
#
# 18 ILE MG2 19 GLY HN 3.50 (# 735:10 Unique 1.92, 3.05 A)
&rst
ixpk= 735, nxpk= 10, iat= -1, 289, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 276, 277, 278,
&end
#
# 0 AMB 10-2:736 87 THR HN 3.50 (# 736:10 Single Ambig)
&rst
ixpk= 736, nxpk= 10, iat= -1,1345, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1325,1306,
&end
#
# 87 THR HB 87 THR HN 3.50 (# 737:10 Unique 3.57, 3.59 A)
&rst
ixpk= 737, nxpk= 10, iat=1349,1345, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 87 THR HA 87 THR HN 3.50 (# 738:10 Unique 2.70, 2.79 A)
&rst
ixpk= 738, nxpk= 10, iat=1347,1345, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 87 THR MG2 87 THR HN 3.50 (# 739:10 Unique 1.86, 2.68 A)
&rst
ixpk= 739, nxpk= 10, iat= -1,1345, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1351,1352,1353,
&end
#
# 19 GLY HA+ 19 GLY HN 3.50 (# 740:10 Unique 2.29, 2.57 A)
&rst
ixpk= 740, nxpk= 10, iat= -1, 289, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 291, 292,
&end
#
# 134 VAL HN 133 THR HN 3.50 (# 741:10 Unique 1.71, 1.88 A)
&rst
ixpk= 741, nxpk= 10, iat=2075,2061, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 131 THR HB 133 THR HN 3.50 (# 742:10 Unique 2.17, 3.07 A)
&rst
ixpk= 742, nxpk= 10, iat=2037,2061, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:743 133 THR HN 2.80 (# 743:10 Single Ambig)
&rst
ixpk= 743, nxpk= 10, iat= -1,2061, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=2065,2048,2049,
&end
#
# 133 THR HA 133 THR HN 2.80 (# 744:10 Unique 2.86, 2.94 A)
&rst
ixpk= 744, nxpk= 10, iat=2063,2061, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 132 PRO HB+ 133 THR HN 4.50 (# 745:10 Unique 3.50, 4.24 A)
&rst
ixpk= 745, nxpk= 10, iat= -1,2061, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2054,2055,
&end
#
# 0 AMB 10-2:746 133 THR HN 3.50 (# 746:10 Single Ambig)
&rst
ixpk= 746, nxpk= 10, iat= -1,2061, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2054,2055,2095,2096,
&end
#
# 133 THR MG2 133 THR HN 3.50 (# 747:10 Unique 4.05, 4.55 A)
&rst
ixpk= 747, nxpk= 10, iat= -1,2061, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=2067,2068,2069,
&end
#
# 118 GLY HA+ 118 GLY HN 3.50 (# 748:10 Unique 2.36, 2.66 A)
&rst
ixpk= 748, nxpk= 10, iat= -1,1841, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1843,1844,
&end
#
# 117 VAL HA 118 GLY HN 2.80 (# 749:10 Unique 2.14, 2.15 A)
&rst
ixpk= 749, nxpk= 10, iat=1827,1841, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 118 GLY HA- 118 GLY HN 3.50 (# 750:10 Unique 2.36, 2.66 A)
&rst
ixpk= 750, nxpk= 10, iat= -1,1841, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1843,1844,
&end
#
# 0 AMB 10-2:751 118 GLY HN 2.80 (# 751:10 Single Ambig)
&rst
ixpk= 751, nxpk= 10, iat= -1,1841, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1815,1816,1817,1819,1820,1821,1831,1832,1833,1835,
1836,1837,
&end
#
# 0 AMB 10-2:752 118 GLY HN 2.80 (# 752:10 Single Ambig)
&rst
ixpk= 752, nxpk= 10, iat= -1,1841, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1815,1816,1817,1819,1820,1821,1831,1832,1833,1835,
1836,1837, 988, 989, 990,
&end
#
# 34 ASP HN 35 TYR HN 3.50 (# 753:10 Unique 2.36, 2.55 A)
&rst
ixpk= 753, nxpk= 10, iat= 544, 556, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 36 VAL HN 35 TYR HN 2.80 (# 754:10 Unique 2.54, 2.66 A)
&rst
ixpk= 754, nxpk= 10, iat= 577, 556, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 35 TYR HD 35 TYR HN 2.80 (# 755:10 Unique 2.04, 3.09 A)
&rst
ixpk= 755, nxpk= 10, iat= -1, 556, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 564, 573,
&end
#
# 35 TYR HE 35 TYR HN 4.50 (# 756:10 Unique 3.71, 4.42 A)
&rst
ixpk= 756, nxpk= 10, iat= -1, 556, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 566, 571,
&end
#
# 34 ASP HA 35 TYR HN 4.50 (# 757:10 Unique 3.53, 3.56 A)
&rst
ixpk= 757, nxpk= 10, iat= 546, 556, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 35 TYR HB+ 35 TYR HN 3.50 (# 758:10 Unique 2.79, 3.19 A)
&rst
ixpk= 758, nxpk= 10, iat= -1, 556, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 560, 561,
&end
#
# 0 AMB 10-2:759 35 TYR HN 2.80 (# 759:10 Single Ambig)
&rst
ixpk= 759, nxpk= 10, iat= -1, 556, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 548, 549, 560, 561,
&end
#
# 33 PRO HB- 35 TYR HN 3.50 (# 760:10 Unique 2.61, 3.73 A)
&rst
ixpk= 760, nxpk= 10, iat= -1, 556, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 537, 538,
&end
#
# 73 THR HN 72 GLY HN 3.50 (# 761:10 Unique 2.54, 2.79 A)
&rst
ixpk= 761, nxpk= 10, iat=1114,1107, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 72 GLY HA+ 72 GLY HN 2.80 (# 762:10 Unique 2.29, 2.54 A)
&rst
ixpk= 762, nxpk= 10, iat= -1,1107, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1109,1110,
&end
#
# 71 PRO HA 72 GLY HN 2.80 (# 763:10 Unique 2.19, 2.29 A)
&rst
ixpk= 763, nxpk= 10, iat=1103,1107, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 72 GLY HA- 72 GLY HN 2.80 (# 764:10 Unique 2.29, 2.54 A)
&rst
ixpk= 764, nxpk= 10, iat= -1,1107, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1109,1110,
&end
#
# 0 AMB 10-2:765 72 GLY HN 2.80 (# 765:10 Single Ambig)
&rst
ixpk= 765, nxpk= 10, iat= -1,1107, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1868,1100,1101,
&end
#
# 0 AMB 10-2:766 72 GLY HN 2.80 (# 766:10 Single Ambig)
&rst
ixpk= 766, nxpk= 10, iat= -1,1107, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1870,1871,1872,2067,2068,2069,
&end
#
# 10 ASN HB+ 10 ASN HD2+ 4.50 (# 767:10 Unique 2.14, 3.35 A)
&rst
ixpk= 767, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 152, 153,
igr2= 157, 158,
&end
#
# 10 ASN HB+ 10 ASN HD2- 3.50 (# 768:10 Unique 2.14, 3.35 A)
&rst
ixpk= 768, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 152, 153,
igr2= 157, 158,
&end
#
# 10 ASN HB- 10 ASN HD2- 3.50 (# 769:10 Unique 2.14, 3.35 A)
&rst
ixpk= 769, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 152, 153,
igr2= 157, 158,
&end
#
# 0 AMB 10-2:770 10 ASN HD2- 3.50 (# 770:10 Single Ambig)
&rst
ixpk= 770, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 209, 210, 211, 213, 214, 215, 190, 191, 192, 194,
195, 196,
igr2= 157, 158,
&end
#
# 10 ASN HB- 10 ASN HD2+ 3.50 (# 771:10 Unique 2.14, 3.35 A)
&rst
ixpk= 771, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 152, 153,
igr2= 157, 158,
&end
#
# 0 AMB 10-2:772 0 AMB 10-1:772 3.50 (# 772:10 Double Ambig)
&rst
ixpk= 772, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 209, 210, 211, 213, 214, 215, 190, 191, 192, 194,
195, 196,
igr2= 157, 158, 157, 158,
&end
#
# 0 AMB 10-2:773 0 AMB 10-1:773 3.50 (# 773:10 Double Ambig)
&rst
ixpk= 773, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1120,1121,1122, 678, 679, 680,
igr2=1074,1075, 157, 158,
&end
#
# 28 GLN HG+ 28 GLN HE2- 3.50 (# 774:10 Unique 2.12, 3.33 A)
&rst
ixpk= 774, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 437, 438,
igr2= 442, 443,
&end
#
# 28 GLN HG- 28 GLN HE2- 4.50 (# 775:10 Unique 2.12, 3.33 A)
&rst
ixpk= 775, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 437, 438,
igr2= 442, 443,
&end
#
# 28 GLN HG+ 28 GLN HE2+ 4.50 (# 776:10 Unique 2.12, 3.33 A)
&rst
ixpk= 776, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 437, 438,
igr2= 442, 443,
&end
#
# 21 ARG HD+ 21 ARG HE 3.50 (# 777:10 Unique 2.31, 2.69 A)
&rst
ixpk= 777, nxpk= 10, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 322, 323,
&end
#
# 0 AMB 10-2:778 21 ARG HE 3.50 (# 778:10 Single Ambig)
&rst
ixpk= 778, nxpk= 10, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 264, 265, 266, 319, 320,
&end
#
# 0 AMB 10-2:779 55 ARG HE 3.50 (# 779:10 Single Ambig)
&rst
ixpk= 779, nxpk= 10, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 68, 69, 840, 841,
&end
#
# 55 ARG HG+ 55 ARG HE 4.50 (# 780:10 Unique 2.28, 2.93 A)
&rst
ixpk= 780, nxpk= 10, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 840, 841,
&end
#
# 41 GLY HN 42 GLY HN 2.80 (# 781:10 Unique 2.76, 2.85 A)
&rst
ixpk= 781, nxpk= 10, iat= 658, 665, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 43 THR HN 42 GLY HN 4.50 (# 782:10 Unique 3.31, 3.53 A)
&rst
ixpk= 782, nxpk= 10, iat= 672, 665, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 8 VAL HA 42 GLY HN 3.50 (# 783:10 Unique 1.89, 2.00 A)
&rst
ixpk= 783, nxpk= 10, iat= 127, 665, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 41 GLY HA+ 42 GLY HN 4.50 (# 784:10 Unique 2.50, 3.08 A)
&rst
ixpk= 784, nxpk= 10, iat= -1, 665, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 660, 661,
&end
#
# 42 GLY HA+ 42 GLY HN 2.80 (# 785:10 Unique 2.29, 2.54 A)
&rst
ixpk= 785, nxpk= 10, iat= -1, 665, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 667, 668,
&end
#
# 42 GLY HA- 42 GLY HN 2.80 (# 786:10 Unique 2.29, 2.54 A)
&rst
ixpk= 786, nxpk= 10, iat= -1, 665, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 667, 668,
&end
#
# 41 GLY HA- 42 GLY HN 4.50 (# 787:10 Unique 2.50, 3.08 A)
&rst
ixpk= 787, nxpk= 10, iat= -1, 665, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 660, 661,
&end
#
# 0 AMB 10-2:788 42 GLY HN 3.50 (# 788:10 Single Ambig)
&rst
ixpk= 788, nxpk= 10, iat= -1, 665, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 131, 132, 133, 135, 136, 137, 131, 132, 133, 135,
136, 137,
&end
#
# 0 AMB 10-2:789 42 GLY HN 3.50 (# 789:10 Single Ambig)
&rst
ixpk= 789, nxpk= 10, iat= -1, 665, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 302, 303, 304, 306, 307, 308, 302, 303, 304, 306,
307, 308,
&end
#
# 152 SER HN 153 GLY HN 2.80 (# 790:10 Unique 2.33, 2.44 A)
&rst
ixpk= 790, nxpk= 10, iat=2355,2366, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 152 SER HA 153 GLY HN 3.50 (# 791:10 Unique 3.41, 3.44 A)
&rst
ixpk= 791, nxpk= 10, iat=2357,2366, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:792 153 GLY HN 2.80 (# 792:10 Single Ambig)
&rst
ixpk= 792, nxpk= 10, iat= -1,2366, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=2368,2369,2318,
&end
#
# 154 VAL HN 153 GLY HN 2.80 (# 793:10 Unique 1.79, 1.82 A)
&rst
ixpk= 793, nxpk= 10, iat=2373,2366, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 153 GLY HA- 153 GLY HN 2.80 (# 794:10 Unique 2.52, 2.75 A)
&rst
ixpk= 794, nxpk= 10, iat= -1,2366, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2368,2369,
&end
#
# 0 AMB 10-2:795 0 AMB 10-1:795 3.50 (# 795:10 Double Ambig)
&rst
ixpk= 795, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 686,1680,1449,
igr2= 141,1659,
&end
#
# 108 GLY HN 107 THR HN 2.80 (# 796:10 Unique 1.59, 2.46 A)
&rst
ixpk= 796, nxpk= 10, iat=1673,1659, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 107 THR HB 107 THR HN 4.50 (# 797:10 Unique 2.42, 2.89 A)
&rst
ixpk= 797, nxpk= 10, iat=1663,1659, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 107 THR HA 107 THR HN 2.80 (# 798:10 Unique 2.76, 2.84 A)
&rst
ixpk= 798, nxpk= 10, iat=1661,1659, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:799 0 AMB 10-1:799 3.50 (# 799:10 Double Ambig)
&rst
ixpk= 799, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1643,1644, 143, 144,
igr2=1659, 141,
&end
#
# 106 PHE HB- 107 THR HN 3.50 (# 800:10 Unique 2.24, 2.90 A)
&rst
ixpk= 800, nxpk= 10, iat= -1,1659, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1643,1644,
&end
#
# 107 THR MG2 107 THR HN 2.80 (# 801:10 Unique 1.93, 2.89 A)
&rst
ixpk= 801, nxpk= 10, iat= -1,1659, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1665,1666,1667,
&end
#
# 8 VAL HB 9 GLY HN 3.50 (# 802:10 Unique 1.80, 1.90 A)
&rst
ixpk= 802, nxpk= 10, iat= 129, 141, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 8 VAL HA 9 GLY HN 3.50 (# 803:10 Unique 2.61, 2.71 A)
&rst
ixpk= 803, nxpk= 10, iat= 127, 141, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:804 45 GLY HN 3.50 (# 804:10 Single Ambig)
&rst
ixpk= 804, nxpk= 10, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 688, 660, 661,
&end
#
# 45 GLY HA+ 45 GLY HN 3.50 (# 805:10 Unique 2.31, 2.66 A)
&rst
ixpk= 805, nxpk= 10, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 698, 699,
&end
#
# 45 GLY HA- 45 GLY HN 3.50 (# 806:10 Unique 2.31, 2.66 A)
&rst
ixpk= 806, nxpk= 10, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 698, 699,
&end
#
# 44 ALA MB 45 GLY HN 2.80 (# 807:10 Unique 1.90, 2.76 A)
&rst
ixpk= 807, nxpk= 10, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 690, 691, 692,
&end
#
# 0 AMB 10-2:808 127 HIS HN 2.80 (# 808:10 Single Ambig)
&rst
ixpk= 808, nxpk= 10, iat= -1,1971, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1967, 202,
&end
#
# 0 AMB 10-2:809 127 HIS HN 4.50 (# 809:10 Single Ambig)
&rst
ixpk= 809, nxpk= 10, iat= -1,1971, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1973,1990, 223,
&end
#
# 0 AMB 10-2:810 127 HIS HN 4.50 (# 810:10 Single Ambig)
&rst
ixpk= 810, nxpk= 10, iat= -1,1971, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 209, 210, 211, 213, 214, 215,1994,1995,1996,
&end
#
# 127 HIS HB- 127 HIS HN 5.50 (# 811:10 Unique 2.80, 3.59 A)
&rst
ixpk= 811, nxpk= 10, iat= -1,1971, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1975,1976,
&end
#
# 126 PRO HB- 127 HIS HN 5.50 (# 812:10 Unique 4.17, 4.41 A)
&rst
ixpk= 812, nxpk= 10, iat= -1,1971, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1964,1965,
&end
#
# 0 AMB 10-2:813 58 LEU HN 5.50 (# 813:10 Single Ambig)
&rst
ixpk= 813, nxpk= 10, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1792, 905,
&end
#
# 114 LEU HA 58 LEU HN 4.50 (# 814:10 Unique 2.56, 2.68 A)
&rst
ixpk= 814, nxpk= 10, iat=1775, 886, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 58 LEU HA 58 LEU HN 4.50 (# 815:10 Unique 2.93, 2.95 A)
&rst
ixpk= 815, nxpk= 10, iat= 888, 886, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:816 58 LEU HN 5.50 (# 816:10 Single Ambig)
&rst
ixpk= 816, nxpk= 10, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 873, 874,1716,1717,
&end
#
# 57 HIS HB- 58 LEU HN 5.50 (# 817:10 Unique 3.98, 4.32 A)
&rst
ixpk= 817, nxpk= 10, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 873, 874,
&end
#
# 0 AMB 10-2:818 58 LEU HN 5.50 (# 818:10 Single Ambig)
&rst
ixpk= 818, nxpk= 10, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1722,1723, 840, 841,
&end
#
# 0 AMB 10-2:819 58 LEU HN 5.50 (# 819:10 Single Ambig)
&rst
ixpk= 819, nxpk= 10, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 893,1780, 909,
&end
#
# 0 AMB 10-2:820 58 LEU HN 4.50 (# 820:10 Single Ambig)
&rst
ixpk= 820, nxpk= 10, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1719,1720,1755,1756,1777,1778,1758,1759, 840, 841,
&end
#
# 58 LEU HB- 58 LEU HN 4.50 (# 821:10 Unique 2.54, 2.83 A)
&rst
ixpk= 821, nxpk= 10, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 890, 891,
&end
#
# 0 AMB 10-2:822 58 LEU HN 4.50 (# 822:10 Single Ambig)
&rst
ixpk= 822, nxpk= 10, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 915, 916,1782,1783,1784,1786,1787,1788,1782,1783,
1784,1786,1787,1788,1758,1759,
&end
#
# 2 ARG HG+ 56 ASP HN 4.50 (# 823:10 Unique 1.92, 3.47 A)
&rst
ixpk= 823, nxpk= 10, iat= -1, 857, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 28, 29,
&end
#
# 2 ARG HB- 56 ASP HN 4.50 (# 824:10 Unique 2.00, 3.60 A)
&rst
ixpk= 824, nxpk= 10, iat= -1, 857, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 25, 26,
&end
#
# 55 ARG HG- 56 ASP HN 4.50 (# 825:10 Unique 1.97, 4.15 A)
&rst
ixpk= 825, nxpk= 10, iat= -1, 857, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 840, 841,
&end
#
# 55 ARG HB+ 56 ASP HN 4.50 (# 826:10 Unique 2.09, 3.36 A)
&rst
ixpk= 826, nxpk= 10, iat= -1, 857, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 837, 838,
&end
#
# 55 ARG HD- 56 ASP HN 5.50 (# 827:10 Unique 3.36, 4.95 A)
&rst
ixpk= 827, nxpk= 10, iat= -1, 857, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 843, 844,
&end
#
# 0 AMB 10-2:828 56 ASP HN 5.50 (# 828:10 Single Ambig)
&rst
ixpk= 828, nxpk= 10, iat= -1, 857, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 47, 23,
&end
#
# 2 ARG HN 56 ASP HN 5.50 (# 829:10 Unique 3.29, 3.78 A)
&rst
ixpk= 829, nxpk= 10, iat= 21, 857, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:830 159 ARG HN 5.50 (# 830:10 Single Ambig)
&rst
ixpk= 830, nxpk= 10, iat= -1,2447, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 502, 503,2420,2421,2422,
&end
#
# 0 AMB 10-2:831 159 ARG HN 5.50 (# 831:10 Single Ambig)
&rst
ixpk= 831, nxpk= 10, iat= -1,2447, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 505, 506, 507,2427,2428,2429, 498, 499, 500,
&end
#
# 0 AMB 10-2:832 159 ARG HN 4.50 (# 832:10 Single Ambig)
&rst
ixpk= 832, nxpk= 10, iat= -1,2447, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2418,2440,2441,
&end
#
# 30 TYR HB- 159 ARG HN 5.50 (# 833:10 Unique 3.65, 4.27 A)
&rst
ixpk= 833, nxpk= 10, iat= -1,2447, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 475, 476,
&end
#
# 30 TYR HB+ 159 ARG HN 5.50 (# 834:10 Unique 3.65, 4.27 A)
&rst
ixpk= 834, nxpk= 10, iat= -1,2447, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 475, 476,
&end
#
# 159 ARG HD+ 159 ARG HN 5.50 (# 835:10 Unique 4.22, 5.10 A)
&rst
ixpk= 835, nxpk= 10, iat= -1,2447, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2457,2458,
&end
#
# 0 AMB 10-2:836 159 ARG HN 5.50 (# 836:10 Single Ambig)
&rst
ixpk= 836, nxpk= 10, iat= -1,2447, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2457,2458, 457, 458,
&end
#
# 29 ARG HA 159 ARG HN 5.50 (# 837:10 Unique 5.26, 5.38 A)
&rst
ixpk= 837, nxpk= 10, iat= 449,2447, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 TYR HE 159 ARG HN 5.50 (# 838:10 Unique 5.41, 6.12 A)
&rst
ixpk= 838, nxpk= 10, iat= -1,2447, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 481, 486,
&end
#
# 30 TYR HD 159 ARG HN 4.50 (# 839:10 Unique 3.76, 4.69 A)
&rst
ixpk= 839, nxpk= 10, iat= -1,2447, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 479, 488,
&end
#
# 160 SER HN 159 ARG HN 5.50 (# 840:10 Unique 2.56, 2.63 A)
&rst
ixpk= 840, nxpk= 10, iat=2471,2447, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 ILE HN 159 ARG HN 4.50 (# 841:10 Unique 2.32, 2.36 A)
&rst
ixpk= 841, nxpk= 10, iat= 492,2447, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 59 ILE MD1 148 ALA HN 5.50 (# 842:10 Unique 4.08, 5.90 A)
&rst
ixpk= 842, nxpk= 10, iat= -1,2287, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 918, 919, 920,
&end
#
# 0 AMB 10-2:843 148 ALA HN 5.50 (# 843:10 Single Ambig)
&rst
ixpk= 843, nxpk= 10, iat= -1,2287, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2306,2307,2308,2310,2311,2312,2306,2307,2308,2310,
2311,2312,
&end
#
# 0 AMB 10-2:844 148 ALA HN 5.50 (# 844:10 Single Ambig)
&rst
ixpk= 844, nxpk= 10, iat= -1,2287, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2248,2249,2250,2252,2253,2254,1831,1832,1833,1835,
1836,1837, 405, 406, 407, 409, 410, 411,
&end
#
# 0 AMB 10-2:845 148 ALA HN 5.50 (# 845:10 Single Ambig)
&rst
ixpk= 845, nxpk= 10, iat= -1,2287, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=2301,2302,1798,1799,1800,
&end
#
# 0 AMB 10-2:846 148 ALA HN 5.50 (# 846:10 Single Ambig)
&rst
ixpk= 846, nxpk= 10, iat= -1,2287, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2323,2324,2262,2263,
&end
#
# 0 AMB 10-2:847 148 ALA HN 5.50 (# 847:10 Single Ambig)
&rst
ixpk= 847, nxpk= 10, iat= -1,2287, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2301,2302,2320,2321,
&end
#
# 0 AMB 10-2:848 148 ALA HN 5.50 (# 848:10 Single Ambig)
&rst
ixpk= 848, nxpk= 10, iat= -1,2287, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2344,2345,2229,2230,
&end
#
# 0 AMB 10-2:849 148 ALA HN 5.50 (# 849:10 Single Ambig)
&rst
ixpk= 849, nxpk= 10, iat= -1,2287, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2347,2348,2246,
&end
#
# 0 AMB 10-2:850 148 ALA HN 4.50 (# 850:10 Single Ambig)
&rst
ixpk= 850, nxpk= 10, iat= -1,2287, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2260,2299,
&end
#
# 0 AMB 10-2:851 148 ALA HN 4.50 (# 851:10 Single Ambig)
&rst
ixpk= 851, nxpk= 10, iat= -1,2287, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2227,2318,
&end
#
# 150 ARG HN 148 ALA HN 4.50 (# 852:10 Unique 4.21, 4.48 A)
&rst
ixpk= 852, nxpk= 10, iat=2316,2287, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 145 VAL HN 148 ALA HN 5.50 (# 853:10 Unique 4.93, 5.03 A)
&rst
ixpk= 853, nxpk= 10, iat=2242,2287, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 146 LEU HN 148 ALA HN 5.50 (# 854:10 Unique 4.27, 4.40 A)
&rst
ixpk= 854, nxpk= 10, iat=2258,2287, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:855 45 GLY HN 4.50 (# 855:10 Single Ambig)
&rst
ixpk= 855, nxpk= 10, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 131, 132, 133, 135, 136, 137, 131, 132, 133, 135,
136, 137, 744, 745, 746, 748, 749, 750, 744, 745,
746, 748, 749, 750,
&end
#
# 0 AMB 10-2:856 45 GLY HN 5.50 (# 856:10 Single Ambig)
&rst
ixpk= 856, nxpk= 10, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
igr1=1503,1504,1546,1547,1548,1550,1551,1552,1546,1547,
1548,1550,1551,1552,
&end
#
# 48 LEU HG 45 GLY HN 5.50 (# 857:10 Unique 4.15, 4.50 A)
&rst
ixpk= 857, nxpk= 10, iat= 742, 696, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:858 45 GLY HN 5.50 (# 858:10 Single Ambig)
&rst
ixpk= 858, nxpk= 10, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 724, 725, 739, 740,
&end
#
# 0 AMB 10-2:859 45 GLY HN 5.50 (# 859:10 Single Ambig)
&rst
ixpk= 859, nxpk= 10, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 707, 708, 707, 708,
&end
#
# 0 AMB 10-2:860 45 GLY HN 5.50 (# 860:10 Single Ambig)
&rst
ixpk= 860, nxpk= 10, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 727, 728, 727, 728,
&end
#
# 46 MET HN 45 GLY HN 4.50 (# 861:10 Unique 2.93, 3.85 A)
&rst
ixpk= 861, nxpk= 10, iat= 703, 696, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 47 GLU HN 45 GLY HN 4.50 (# 862:10 Unique 3.14, 3.61 A)
&rst
ixpk= 862, nxpk= 10, iat= 720, 696, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:863 0 AMB 10-1:863 4.50 (# 863:10 Double Ambig)
&rst
ixpk= 863, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 667, 668,1675,1676,1617,
igr2= 141,1659,
&end
#
# 0 AMB 10-2:864 0 AMB 10-1:864 5.50 (# 864:10 Double Ambig)
&rst
ixpk= 864, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1675,1676, 660, 661,
igr2=1659, 141,
&end
#
# 106 PHE HD 107 THR HN 5.50 (# 865:10 Unique 2.26, 4.95 A)
&rst
ixpk= 865, nxpk= 10, iat= -1,1659, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1647,1655,
&end
#
# 9 GLY HA+ 9 GLY HN 4.50 (# 866:10 Unique 2.41, 2.72 A)
&rst
ixpk= 866, nxpk= 10, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 143, 144,
&end
#
# 42 GLY HA- 9 GLY HN 5.50 (# 867:10 Unique 3.60, 4.73 A)
&rst
ixpk= 867, nxpk= 10, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 667, 668,
&end
#
# 0 AMB 10-2:868 9 GLY HN 3.50 (# 868:10 Single Ambig)
&rst
ixpk= 868, nxpk= 10, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 131, 132, 133, 135, 136, 137, 131, 132, 133, 135,
136, 137,
&end
#
# 0 AMB 10-2:869 0 AMB 10-1:869 5.50 (# 869:10 Double Ambig)
&rst
ixpk= 869, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 302, 303, 304, 306, 307, 308, 302, 303, 304, 306,
307, 308,1605,1606,1607,1609,1610,1611,
igr2= 141,1659,
&end
#
# 97 LEU HN 96 GLY HN 5.50 (# 870:10 Unique 2.89, 3.17 A)
&rst
ixpk= 870, nxpk= 10, iat=1499,1492, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 95 LEU HN 96 GLY HN 5.50 (# 871:10 Unique 2.94, 3.00 A)
&rst
ixpk= 871, nxpk= 10, iat=1473,1492, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:872 96 GLY HN 3.50 (# 872:10 Single Ambig)
&rst
ixpk= 872, nxpk= 10, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1494,1495,1494,1495,
&end
#
# 95 LEU HA 96 GLY HN 4.50 (# 873:10 Unique 3.53, 3.57 A)
&rst
ixpk= 873, nxpk= 10, iat=1475,1492, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 95 LEU HB+ 96 GLY HN 4.50 (# 874:10 Unique 2.09, 2.87 A)
&rst
ixpk= 874, nxpk= 10, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1477,1478,
&end
#
# 152 SER HB+ 153 GLY HN 5.50 (# 875:10 Unique 2.95, 3.57 A)
&rst
ixpk= 875, nxpk= 10, iat= -1,2366, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2359,2360,
&end
#
# 152 SER HB- 153 GLY HN 4.50 (# 876:10 Unique 2.95, 3.57 A)
&rst
ixpk= 876, nxpk= 10, iat= -1,2366, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2359,2360,
&end
#
# 0 AMB 10-2:877 153 GLY HN 5.50 (# 877:10 Single Ambig)
&rst
ixpk= 877, nxpk= 10, iat= -1,2366, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2377,2323,2324,
&end
#
# 154 VAL MGY 153 GLY HN 5.50 (# 878:10 Unique 3.47, 5.59 A)
&rst
ixpk= 878, nxpk= 10, iat= -1,2366, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2379,2380,2381,2383,2384,2385,
&end
#
# 0 AMB 10-2:879 153 GLY HN 5.50 (# 879:10 Single Ambig)
&rst
ixpk= 879, nxpk= 10, iat= -1,2366, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2379,2380,2381,2383,2384,2385,2306,2307,2308,2310,
2311,2312,
&end
#
# 0 AMB 10-2:880 42 GLY HN 5.50 (# 880:10 Single Ambig)
&rst
ixpk= 880, nxpk= 10, iat= -1, 665, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 678, 679, 680, 361, 362, 363, 365, 366, 367,
&end
#
# 8 VAL HB 42 GLY HN 5.50 (# 881:10 Unique 3.03, 3.61 A)
&rst
ixpk= 881, nxpk= 10, iat= 129, 665, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:882 42 GLY HN 5.50 (# 882:10 Single Ambig)
&rst
ixpk= 882, nxpk= 10, iat= -1, 665, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 650, 651, 957, 958,
&end
#
# 40 ASP HB+ 42 GLY HN 5.50 (# 883:10 Unique 4.28, 5.38 A)
&rst
ixpk= 883, nxpk= 10, iat= -1, 665, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 650, 651,
&end
#
# 0 AMB 10-2:885 42 GLY HN 5.50 (# 885:10 Single Ambig)
&rst
ixpk= 885, nxpk= 10, iat= -1, 665, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 141, 148,
&end
#
# 0 AMB 10-2:887 55 ARG HE 5.50 (# 887:10 Single Ambig)
&rst
ixpk= 887, nxpk= 10, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 835, 782,
&end
#
# 0 AMB 10-2:888 55 ARG HE 5.50 (# 888:10 Single Ambig)
&rst
ixpk= 888, nxpk= 10, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 843, 844, 823, 824,
&end
#
# 55 ARG HD+ 55 ARG HE 5.50 (# 889:10 Unique 2.27, 2.76 A)
&rst
ixpk= 889, nxpk= 10, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 843, 844,
&end
#
# 52 MET HA 55 ARG HE 5.50 (# 890:10 Unique 2.12, 4.46 A)
&rst
ixpk= 890, nxpk= 10, iat= 794, 846, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:891 55 ARG HE 5.50 (# 891:10 Single Ambig)
&rst
ixpk= 891, nxpk= 10, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 108, 109, 110, 112, 113, 114,1605,1606,1607,1609,
1610,1611,
&end
#
# 4 LEU HB- 55 ARG HE 5.50 (# 892:10 Unique 2.03, 3.31 A)
&rst
ixpk= 892, nxpk= 10, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 68, 69,
&end
#
# 55 ARG HB+ 55 ARG HE 5.50 (# 893:10 Unique 1.89, 3.58 A)
&rst
ixpk= 893, nxpk= 10, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 837, 838,
&end
#
# 55 ARG HB- 55 ARG HE 5.50 (# 894:10 Unique 1.89, 3.58 A)
&rst
ixpk= 894, nxpk= 10, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 837, 838,
&end
#
# 109 GLU HN 108 GLY HN 4.50 (# 895:10 Unique 2.09, 2.48 A)
&rst
ixpk= 895, nxpk= 10, iat=1680,1673, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 107 THR HN 108 GLY HN 4.50 (# 896:10 Unique 1.59, 2.46 A)
&rst
ixpk= 896, nxpk= 10, iat=1659,1673, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 108 GLY HA+ 108 GLY HN 4.50 (# 897:10 Unique 2.30, 2.64 A)
&rst
ixpk= 897, nxpk= 10, iat= -1,1673, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1675,1676,
&end
#
# 108 GLY HA- 108 GLY HN 4.50 (# 898:10 Unique 2.30, 2.64 A)
&rst
ixpk= 898, nxpk= 10, iat= -1,1673, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1675,1676,
&end
#
# 0 AMB 10-2:899 21 ARG HE 5.50 (# 899:10 Single Ambig)
&rst
ixpk= 899, nxpk= 10, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2014, 312,
&end
#
# 0 AMB 10-2:901 21 ARG HE 5.50 (# 901:10 Single Ambig)
&rst
ixpk= 901, nxpk= 10, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 314, 183,
&end
#
# 0 AMB 10-2:902 21 ARG HE 4.50 (# 902:10 Single Ambig)
&rst
ixpk= 902, nxpk= 10, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 316, 317, 316, 317,
&end
#
# 21 ARG HG+ 21 ARG HE 4.50 (# 903:10 Unique 2.45, 2.86 A)
&rst
ixpk= 903, nxpk= 10, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 319, 320,
&end
#
# 130 LEU MDX 21 ARG HE 5.50 (# 904:10 Unique 2.27, 3.89 A)
&rst
ixpk= 904, nxpk= 10, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2023,2024,2025,2027,2028,2029,
&end
#
# 130 LEU MDY 21 ARG HE 5.50 (# 905:10 Unique 2.27, 3.89 A)
&rst
ixpk= 905, nxpk= 10, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2023,2024,2025,2027,2028,2029,
&end
#
# 0 AMB 10-2:906 21 ARG HE 5.50 (# 906:10 Single Ambig)
&rst
ixpk= 906, nxpk= 10, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1=1994,1995,1996, 302, 303, 304, 306, 307, 308, 302,
303, 304, 306, 307, 308,
&end
#
# 159 ARG HD+ 159 ARG HE 4.50 (# 907:10 Unique 2.29, 2.64 A)
&rst
ixpk= 907, nxpk= 10, iat= -1,2460, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2457,2458,
&end
#
# 0 AMB 10-2:908 159 ARG HE 4.50 (# 908:10 Single Ambig)
&rst
ixpk= 908, nxpk= 10, iat= -1,2460, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2457,2458, 457, 458,
&end
#
# 0 AMB 10-2:909 159 ARG HE 5.50 (# 909:10 Single Ambig)
&rst
ixpk= 909, nxpk= 10, iat= -1,2460, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2449, 432,
&end
#
# 159 ARG HG- 159 ARG HE 5.50 (# 910:10 Unique 2.13, 3.34 A)
&rst
ixpk= 910, nxpk= 10, iat= -1,2460, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2454,2455,
&end
#
# 0 AMB 10-2:911 159 ARG HE 5.50 (# 911:10 Single Ambig)
&rst
ixpk= 911, nxpk= 10, iat= -1,2460, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2451,2452,2454,2455,
&end
#
# 28 GLN HG- 28 GLN HE2+ 5.50 (# 917:10 Unique 2.12, 3.33 A)
&rst
ixpk= 917, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 437, 438,
igr2= 442, 443,
&end
#
# 28 GLN HB+ 28 GLN HE2+ 5.50 (# 918:10 Unique 1.93, 3.68 A)
&rst
ixpk= 918, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 434, 435,
igr2= 442, 443,
&end
#
# 24 GLU HB- 28 GLN HE2+ 5.50 (# 919:10 Unique 3.63, 6.21 A)
&rst
ixpk= 919, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 375, 376,
igr2= 442, 443,
&end
#
# 25 ALA HA 28 GLN HE2+ 5.50 (# 920:10 Unique 2.95, 4.75 A)
&rst
ixpk= 920, nxpk= 10, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 442, 443,
&end
#
# 73 THR MG2 69 ASN HD2- 5.50 (# 921:10 Unique 1.96, 3.50 A)
&rst
ixpk= 921, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1120,1121,1122,
igr2=1074,1075,
&end
#
# 120 ILE MD1 69 ASN HD2- 5.50 (# 922:10 Unique 2.28, 5.19 A)
&rst
ixpk= 922, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1877,1878,1879,
igr2=1074,1075,
&end
#
# 0 AMB 10-2:923 0 AMB 10-1:923 5.50 (# 923:10 Double Ambig)
&rst
ixpk= 923, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 375, 376,1149,1150,1025,1026,
igr2= 442, 443,1074,1075,
&end
#
# 28 GLN HB+ 28 GLN HE2- 5.50 (# 924:10 Unique 1.93, 3.68 A)
&rst
ixpk= 924, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 434, 435,
igr2= 442, 443,
&end
#
# 69 ASN HB+ 69 ASN HD2- 4.50 (# 925:10 Unique 2.12, 3.11 A)
&rst
ixpk= 925, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1069,1070,
igr2=1074,1075,
&end
#
# 0 AMB 10-2:926 28 GLN HE2- 5.50 (# 926:10 Single Ambig)
&rst
ixpk= 926, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 388, 373,
igr2= 442, 443,
&end
#
# 0 AMB 10-2:927 0 AMB 10-1:927 5.50 (# 927:10 Double Ambig)
&rst
ixpk= 927, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 432,1118,1083,
igr2= 442, 443,1074,1075,
&end
#
# 69 ASN HB+ 69 ASN HD2+ 5.50 (# 928:10 Unique 2.12, 3.11 A)
&rst
ixpk= 928, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1069,1070,
igr2=1074,1075,
&end
#
# 0 AMB 10-2:929 0 AMB 10-1:929 3.50 (# 929:10 Double Ambig)
&rst
ixpk= 929, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 185, 186, 185, 186, 204, 205,
igr2= 157, 158, 157, 158, 157, 158,
&end
#
# 0 AMB 10-2:930 0 AMB 10-1:930 5.50 (# 930:10 Double Ambig)
&rst
ixpk= 930, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 190, 191, 192, 194, 195, 196,1877,1878,1879,
igr2= 157, 158,1074,1075,
&end
#
# 75 MET ME 69 ASN HD2+ 5.50 (# 931:10 Unique 2.25, 4.60 A)
&rst
ixpk= 931, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1156,1157,1158,
igr2=1074,1075,
&end
#
# 0 AMB 10-2:932 10 ASN HD2- 4.50 (# 932:10 Single Ambig)
&rst
ixpk= 932, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 185, 186, 185, 186, 204, 205,
igr2= 157, 158,
&end
#
# 43 THR MG2 10 ASN HD2- 3.50 (# 933:10 Unique 2.51, 4.15 A)
&rst
ixpk= 933, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 678, 679, 680,
igr2= 157, 158,
&end
#
# 0 AMB 10-2:934 10 ASN HD2- 5.50 (# 934:10 Single Ambig)
&rst
ixpk= 934, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 150, 676,
igr2= 157, 158,
&end
#
# 0 AMB 10-2:935 72 GLY HN 4.50 (# 935:10 Single Ambig)
&rst
ixpk= 935, nxpk= 10, iat= -1,1107, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1854,1855,1856,1858,1859,1860,1877,1878,1879,
&end
#
# 0 AMB 10-2:936 72 GLY HN 5.50 (# 936:10 Single Ambig)
&rst
ixpk= 936, nxpk= 10, iat= -1,1107, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1874,1875,1874,1875,
&end
#
# 71 PRO HB+ 72 GLY HN 5.50 (# 937:10 Unique 2.73, 3.28 A)
&rst
ixpk= 937, nxpk= 10, iat= -1,1107, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1100,1101,
&end
#
# 0 AMB 10-2:938 72 GLY HN 5.50 (# 938:10 Single Ambig)
&rst
ixpk= 938, nxpk= 10, iat= -1,1107, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1097,1098,2127,2128,2129,1904,1905, 998,
&end
#
# 0 AMB 10-2:939 72 GLY HN 5.50 (# 939:10 Single Ambig)
&rst
ixpk= 939, nxpk= 10, iat= -1,1107, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1097,1098,2079,
&end
#
# 0 AMB 10-2:940 72 GLY HN 5.50 (# 940:10 Single Ambig)
&rst
ixpk= 940, nxpk= 10, iat= -1,1107, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1899,1893,
&end
#
# 120 ILE HA 72 GLY HN 5.50 (# 941:10 Unique 4.13, 4.35 A)
&rst
ixpk= 941, nxpk= 10, iat=1866,1107, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 120 ILE HN 72 GLY HN 5.50 (# 942:10 Unique 3.74, 4.08 A)
&rst
ixpk= 942, nxpk= 10, iat=1864,1107, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:943 35 TYR HN 5.50 (# 943:10 Single Ambig)
&rst
ixpk= 943, nxpk= 10, iat= -1, 556, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 23, 47,
&end
#
# 33 PRO HA 35 TYR HN 5.50 (# 944:10 Unique 4.74, 4.93 A)
&rst
ixpk= 944, nxpk= 10, iat= 540, 556, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 PRO HB+ 35 TYR HN 4.50 (# 945:10 Unique 2.61, 3.73 A)
&rst
ixpk= 945, nxpk= 10, iat= -1, 556, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 537, 538,
&end
#
# 0 AMB 10-2:946 35 TYR HN 5.50 (# 946:10 Single Ambig)
&rst
ixpk= 946, nxpk= 10, iat= -1, 556, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 534, 535, 581,
&end
#
# 33 PRO HG+ 35 TYR HN 5.50 (# 947:10 Unique 3.49, 4.31 A)
&rst
ixpk= 947, nxpk= 10, iat= -1, 556, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 534, 535,
&end
#
# 36 VAL MGY 35 TYR HN 4.50 (# 948:10 Unique 4.52, 6.29 A)
&rst
ixpk= 948, nxpk= 10, iat= -1, 556, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 583, 584, 585, 587, 588, 589,
&end
#
# 76 ILE HA 118 GLY HN 4.50 (# 949:10 Unique 3.61, 3.79 A)
&rst
ixpk= 949, nxpk= 10, iat=1164,1841, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 74 MET HA 118 GLY HN 5.50 (# 950:10 Unique 4.55, 5.06 A)
&rst
ixpk= 950, nxpk= 10, iat=1130,1841, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:951 118 GLY HN 5.50 (# 951:10 Single Ambig)
&rst
ixpk= 951, nxpk= 10, iat= -1,1841, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1135,1136,2232,2233,
&end
#
# 0 AMB 10-2:952 118 GLY HN 5.50 (# 952:10 Single Ambig)
&rst
ixpk= 952, nxpk= 10, iat= -1,1841, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1135,1136,1152,1153,
&end
#
# 0 AMB 10-2:953 118 GLY HN 5.50 (# 953:10 Single Ambig)
&rst
ixpk= 953, nxpk= 10, iat= -1,1841, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1829,1156,1157,1158,1166,
&end
#
# 77 LEU HB+ 118 GLY HN 4.50 (# 954:10 Unique 3.40, 4.74 A)
&rst
ixpk= 954, nxpk= 10, iat= -1,1841, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1185,1186,
&end
#
# 0 AMB 10-2:955 118 GLY HN 4.50 (# 955:10 Single Ambig)
&rst
ixpk= 955, nxpk= 10, iat= -1,1841, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 985, 986,1313,1172,1173,1172,1173,
&end
#
# 119 VAL HN 118 GLY HN 5.50 (# 956:10 Unique 4.26, 4.37 A)
&rst
ixpk= 956, nxpk= 10, iat=1848,1841, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 117 VAL HN 118 GLY HN 5.50 (# 957:10 Unique 4.24, 4.34 A)
&rst
ixpk= 957, nxpk= 10, iat=1825,1841, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 MET HN 118 GLY HN 4.50 (# 958:10 Unique 2.75, 3.16 A)
&rst
ixpk= 958, nxpk= 10, iat=1145,1841, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 132 PRO HA 133 THR HN 4.50 (# 959:10 Unique 2.96, 3.28 A)
&rst
ixpk= 959, nxpk= 10, iat=2057,2061, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 134 VAL HA 133 THR HN 5.50 (# 960:10 Unique 4.41, 4.63 A)
&rst
ixpk= 960, nxpk= 10, iat=2077,2061, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 122 GLU HG+ 133 THR HN 4.50 (# 961:10 Unique 3.34, 4.92 A)
&rst
ixpk= 961, nxpk= 10, iat= -1,2061, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1904,1905,
&end
#
# 122 GLU HG- 133 THR HN 4.50 (# 962:10 Unique 3.34, 4.92 A)
&rst
ixpk= 962, nxpk= 10, iat= -1,2061, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1904,1905,
&end
#
# 122 GLU HB- 133 THR HN 5.50 (# 963:10 Unique 3.94, 4.40 A)
&rst
ixpk= 963, nxpk= 10, iat= -1,2061, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1901,1902,
&end
#
# 131 THR MG2 133 THR HN 4.50 (# 964:10 Unique 1.78, 4.61 A)
&rst
ixpk= 964, nxpk= 10, iat= -1,2061, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2039,2040,2041,
&end
#
# 135 GLU HN 133 THR HN 5.50 (# 965:10 Unique 2.60, 3.15 A)
&rst
ixpk= 965, nxpk= 10, iat=2091,2061, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:966 87 THR HN 5.50 (# 966:10 Single Ambig)
&rst
ixpk= 966, nxpk= 10, iat= -1,1345, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1310,1311,1300,1301,1302,1313,
&end
#
# 0 AMB 10-2:967 87 THR HN 5.50 (# 967:10 Single Ambig)
&rst
ixpk= 967, nxpk= 10, iat= -1,1345, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1=1522,1523,1524,1310,1311,1380,1381,
&end
#
# 0 AMB 10-2:968 87 THR HN 4.50 (# 968:10 Single Ambig)
&rst
ixpk= 968, nxpk= 10, iat= -1,1345, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1329,1330,1363,1364,1363,1364,
&end
#
# 86 PHE HB+ 87 THR HN 5.50 (# 969:10 Unique 2.95, 3.55 A)
&rst
ixpk= 969, nxpk= 10, iat= -1,1345, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1329,1330,
&end
#
# 84 ALA HA 87 THR HN 4.50 (# 970:10 Unique 3.84, 3.90 A)
&rst
ixpk= 970, nxpk= 10, iat=1298,1345, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 86 PHE HA 87 THR HN 3.50 (# 971:10 Unique 3.26, 3.43 A)
&rst
ixpk= 971, nxpk= 10, iat=1327,1345, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 88 ASN HN 87 THR HN 4.50 (# 972:10 Unique 2.66, 3.60 A)
&rst
ixpk= 972, nxpk= 10, iat=1359,1345, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:973 19 GLY HN 4.50 (# 973:10 Single Ambig)
&rst
ixpk= 973, nxpk= 10, iat= -1, 289, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
igr1= 349, 350, 351,1854,1855,1856,1858,1859,1860, 302,
303, 304, 306, 307, 308, 302, 303, 304, 306, 307,
308,
&end
#
# 0 AMB 10-2:974 19 GLY HN 5.50 (# 974:10 Single Ambig)
&rst
ixpk= 974, nxpk= 10, iat= -1, 289, r1= 1.30, r2= 1.80, r3=10.25, r4=10.75,
igr1=2023,2024,2025,2027,2028,2029, 283, 284, 285,2146,
2147,2148, 131, 132, 133, 135, 136, 137, 131, 132,
133, 135, 136, 137,1000,1001,1002,1004,1005,1006,
1000,1001,1002,1004,1005,1006,1831,1832,1833,1835,
1836,1837,
&end
#
# 0 AMB 10-2:975 19 GLY HN 4.50 (# 975:10 Single Ambig)
&rst
ixpk= 975, nxpk= 10, iat= -1, 289, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 969, 970, 971, 947, 948, 949,
&end
#
# 0 AMB 10-2:976 19 GLY HN 4.50 (# 976:10 Single Ambig)
&rst
ixpk= 976, nxpk= 10, iat= -1, 289, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 274, 346, 347, 300,
&end
#
# 17 ALA HA 19 GLY HN 5.50 (# 977:10 Unique 3.32, 3.51 A)
&rst
ixpk= 977, nxpk= 10, iat= 262, 289, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 ASP HA 19 GLY HN 4.50 (# 978:10 Unique 3.27, 3.48 A)
&rst
ixpk= 978, nxpk= 10, iat= 955, 289, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 VAL HN 19 GLY HN 4.50 (# 979:10 Unique 2.48, 2.62 A)
&rst
ixpk= 979, nxpk= 10, iat= 296, 289, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 18 ILE HN 19 GLY HN 5.50 (# 980:10 Unique 2.78, 2.84 A)
&rst
ixpk= 980, nxpk= 10, iat= 270, 289, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 ALA HN 19 GLY HN 5.50 (# 981:10 Unique 3.48, 4.13 A)
&rst
ixpk= 981, nxpk= 10, iat= 965, 289, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:982 123 SER HN 4.50 (# 982:10 Single Ambig)
&rst
ixpk= 982, nxpk= 10, iat= -1,1912, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1890,1891,1927,1928,
&end
#
# 122 GLU HG- 123 SER HN 4.50 (# 983:10 Unique 2.48, 3.74 A)
&rst
ixpk= 983, nxpk= 10, iat= -1,1912, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1904,1905,
&end
#
# 15 ASP HB- 123 SER HN 4.50 (# 984:10 Unique 3.56, 4.29 A)
&rst
ixpk= 984, nxpk= 10, iat= -1,1912, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 237, 238,
&end
#
# 0 AMB 10-2:985 123 SER HN 5.50 (# 985:10 Single Ambig)
&rst
ixpk= 985, nxpk= 10, iat= -1,1912, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 235,1866,
&end
#
# 131 THR HG1 123 SER HN 5.50 (# 986:10 Unique 3.03, 4.36 A)
&rst
ixpk= 986, nxpk= 10, iat=2043,1912, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 124 LEU HN 123 SER HN 5.50 (# 987:10 Unique 1.77, 2.03 A)
&rst
ixpk= 987, nxpk= 10, iat=1923,1912, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:988 41 GLY HN 4.50 (# 988:10 Single Ambig)
&rst
ixpk= 988, nxpk= 10, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 636, 637, 638, 640, 641, 642, 302, 303, 304, 306,
307, 308,
&end
#
# 23 VAL MGY 41 GLY HN 5.50 (# 989:10 Unique 4.06, 5.78 A)
&rst
ixpk= 989, nxpk= 10, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 361, 362, 363, 365, 366, 367,
&end
#
# 0 AMB 10-2:990 41 GLY HN 5.50 (# 990:10 Single Ambig)
&rst
ixpk= 990, nxpk= 10, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 690, 691, 692, 106,
&end
#
# 39 LEU HG 41 GLY HN 5.50 (# 991:10 Unique 5.29, 5.41 A)
&rst
ixpk= 991, nxpk= 10, iat= 634, 658, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 ASP HB- 41 GLY HN 5.50 (# 992:10 Unique 3.95, 4.30 A)
&rst
ixpk= 992, nxpk= 10, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 650, 651,
&end
#
# 40 ASP HB+ 41 GLY HN 5.50 (# 993:10 Unique 3.95, 4.30 A)
&rst
ixpk= 993, nxpk= 10, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 650, 651,
&end
#
# 0 AMB 10-2:994 41 GLY HN 5.50 (# 994:10 Single Ambig)
&rst
ixpk= 994, nxpk= 10, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 631, 632, 742,
&end
#
# 42 GLY HA- 41 GLY HN 5.50 (# 995:10 Unique 4.98, 5.05 A)
&rst
ixpk= 995, nxpk= 10, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 667, 668,
&end
#
# 42 GLY HA+ 41 GLY HN 5.50 (# 996:10 Unique 4.98, 5.05 A)
&rst
ixpk= 996, nxpk= 10, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 667, 668,
&end
#
# 6 LEU HA 41 GLY HN 5.50 (# 997:10 Unique 4.06, 4.56 A)
&rst
ixpk= 997, nxpk= 10, iat= 101, 658, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 GLY HN 41 GLY HN 4.50 (# 998:10 Unique 2.22, 2.72 A)
&rst
ixpk= 998, nxpk= 10, iat= 118, 658, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 104 LEU MDY 54 ASN HN 5.50 (# 999:10 Unique 4.74, 6.29 A)
&rst
ixpk= 999, nxpk= 10, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1605,1606,1607,1609,1610,1611,
&end
#
# 0 AMB 10-2:1000 54 ASN HN 4.50 (# 1000:10 Single Ambig)
&rst
ixpk= 1000, nxpk= 10, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1605,1606,1607,1609,1610,1611, 895, 896, 897, 899,
900, 901, 73, 74, 75, 77, 78, 79,
&end
#
# 0 AMB 10-2:1001 54 ASN HN 4.50 (# 1001:10 Single Ambig)
&rst
ixpk= 1001, nxpk= 10, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1684,1685,1722,1723, 796, 797,
&end
#
# 54 ASN HB- 54 ASN HN 5.50 (# 1002:10 Unique 2.11, 3.18 A)
&rst
ixpk= 1002, nxpk= 10, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 823, 824,
&end
#
# 0 AMB 10-2:1003 54 ASN HN 4.50 (# 1003:10 Single Ambig)
&rst
ixpk= 1003, nxpk= 10, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 823, 824, 843, 844,
&end
#
# 109 GLU HA 54 ASN HN 5.50 (# 1004:10 Unique 5.72, 5.91 A)
&rst
ixpk= 1004, nxpk= 10, iat=1682, 819, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 ALA HN 54 ASN HN 5.50 (# 1005:10 Unique 2.30, 2.76 A)
&rst
ixpk= 1005, nxpk= 10, iat= 809, 819, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 ARG HN 54 ASN HN 4.50 (# 1006:10 Unique 3.33, 3.91 A)
&rst
ixpk= 1006, nxpk= 10, iat= 833, 819, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 90 ILE MD1 88 ASN HD2+ 5.50 (# 1007:10 Unique 1.95, 4.22 A)
&rst
ixpk= 1007, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1408,1409,1410,
igr2=1368,1369,
&end
#
# 0 AMB 10-2:1008 0 AMB 10-1:1008 5.50 (# 1008:10 Double Ambig)
&rst
ixpk= 1008, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1025,1026,1460,1461,1460,1461,
igr2=1368,1369,1368,1369,1368,1369,
&end
#
# 0 AMB 10-2:1009 0 AMB 10-1:1009 5.50 (# 1009:10 Double Ambig)
&rst
ixpk= 1009, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1418,1419,1418,1419,
igr2=1368,1369,1368,1369,
&end
#
# 0 AMB 10-2:1010 0 AMB 10-1:1010 5.50 (# 1010:10 Double Ambig)
&rst
ixpk= 1010, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1327,1023,
igr2=1368,1369,1368,1369,
&end
#
# 0 AMB 10-2:1011 88 ASN HD2- 5.50 (# 1011:10 Single Ambig)
&rst
ixpk= 1011, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1327,1023,
igr2=1368,1369,
&end
#
# 144 GLN HA 144 GLN HE2- 4.50 (# 1012:10 Unique 1.96, 3.54 A)
&rst
ixpk= 1012, nxpk= 10, iat=2227, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2237,2238,
&end
#
# 144 GLN HB- 144 GLN HE2- 4.50 (# 1013:10 Unique 1.96, 4.09 A)
&rst
ixpk= 1013, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2229,2230,
igr2=2237,2238,
&end
#
# 0 AMB 10-2:1014 0 AMB 10-1:1014 4.50 (# 1014:10 Double Ambig)
&rst
ixpk= 1014, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1025,1026,1460,1461,1460,1461,1139,1140,1141,
igr2=1368,1369,2237,2238,
&end
#
# 0 AMB 10-2:1015 144 GLN HE2- 5.50 (# 1015:10 Single Ambig)
&rst
ixpk= 1015, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2281,2282,2283,2291,2292,2293,
igr2=2237,2238,
&end
#
# 0 AMB 10-2:1016 144 GLN HE2- 5.50 (# 1016:10 Single Ambig)
&rst
ixpk= 1016, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1175,1176,1177,1831,1832,1833,1835,1836,1837,
igr2=2237,2238,
&end
#
# 0 AMB 10-2:1017 23 VAL HN 5.50 (# 1017:10 Single Ambig)
&rst
ixpk= 1017, nxpk= 10, iat= -1, 355, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 396, 312,
&end
#
# 0 AMB 10-2:1018 23 VAL HN 5.50 (# 1018:10 Single Ambig)
&rst
ixpk= 1018, nxpk= 10, iat= -1, 355, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 386, 415,
&end
#
# 0 AMB 10-2:1019 23 VAL HN 5.50 (# 1019:10 Single Ambig)
&rst
ixpk= 1019, nxpk= 10, iat= -1, 355, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 314, 373,
&end
#
# 7 GLY HA+ 23 VAL HN 5.50 (# 1020:10 Unique 3.55, 4.23 A)
&rst
ixpk= 1020, nxpk= 10, iat= -1, 355, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 120, 121,
&end
#
# 22 ILE HA 23 VAL HN 5.50 (# 1021:10 Unique 3.55, 3.56 A)
&rst
ixpk= 1021, nxpk= 10, iat= 338, 355, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 VAL HA 23 VAL HN 4.50 (# 1022:10 Unique 3.72, 3.80 A)
&rst
ixpk= 1022, nxpk= 10, iat= 298, 355, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1023 23 VAL HN 5.50 (# 1023:10 Single Ambig)
&rst
ixpk= 1023, nxpk= 10, iat= -1, 355, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 378, 379, 650, 651,
&end
#
# 0 AMB 10-2:1024 23 VAL HN 5.50 (# 1024:10 Single Ambig)
&rst
ixpk= 1024, nxpk= 10, iat= -1, 355, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 87, 316, 317, 316, 317,
&end
#
# 0 AMB 10-2:1025 23 VAL HN 4.50 (# 1025:10 Single Ambig)
&rst
ixpk= 1025, nxpk= 10, iat= -1, 355, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 947, 948, 949, 400, 401,
&end
#
# 144 GLN HA 144 GLN HE2+ 5.50 (# 1026:10 Unique 1.96, 3.54 A)
&rst
ixpk= 1026, nxpk= 10, iat=2227, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2237,2238,
&end
#
# 144 GLN HB- 144 GLN HE2+ 4.50 (# 1027:10 Unique 1.96, 4.09 A)
&rst
ixpk= 1027, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2229,2230,
igr2=2237,2238,
&end
#
# 0 AMB 10-2:1028 0 AMB 10-1:1028 4.50 (# 1028:10 Double Ambig)
&rst
ixpk= 1028, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1139,1140,1141,1829,1166,
igr2=2237,2238,2237,2238,2237,2238,
&end
#
# 147 ALA MB 144 GLN HE2+ 5.50 (# 1029:10 Unique 2.50, 4.71 A)
&rst
ixpk= 1029, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2281,2282,2283,
igr2=2237,2238,
&end
#
# 0 AMB 10-2:1030 0 AMB 10-1:1030 5.50 (# 1030:10 Double Ambig)
&rst
ixpk= 1030, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1175,1176,1177,1831,1832,1833,1835,1836,1837,
igr2=2237,2238,2237,2238,
&end
#
# 0 AMB 10-2:1031 137 MET HN 4.50 (# 1031:10 Single Ambig)
&rst
ixpk= 1031, nxpk= 10, iat= -1,2116, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2143,2144,1854,1855,1856,1858,1859,1860,
&end
#
# 0 AMB 10-2:1032 137 MET HN 4.50 (# 1032:10 Single Ambig)
&rst
ixpk= 1032, nxpk= 10, iat= -1,2116, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=2081,2082,2083,2085,2086,2087,2081,2082,2083,2085,
2086,2087,2023,2024,2025,2027,2028,2029,
&end
#
# 0 AMB 10-2:1034 137 MET HN 4.50 (# 1034:10 Single Ambig)
&rst
ixpk= 1034, nxpk= 10, iat= -1,2116, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=2021, 346, 347,2174,2175,1901,1902,2195,2196,
&end
#
# 0 AMB 10-2:1035 137 MET HN 5.50 (# 1035:10 Single Ambig)
&rst
ixpk= 1035, nxpk= 10, iat= -1,2116, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2095,2096, 316, 317, 316, 317,
&end
#
# 138 ILE HA 137 MET HN 5.50 (# 1036:10 Unique 5.06, 5.13 A)
&rst
ixpk= 1036, nxpk= 10, iat=2135,2116, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 135 GLU HA 137 MET HN 4.50 (# 1037:10 Unique 3.49, 3.69 A)
&rst
ixpk= 1037, nxpk= 10, iat=2093,2116, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 139 GLU HN 137 MET HN 5.50 (# 1038:10 Unique 4.43, 4.53 A)
&rst
ixpk= 1038, nxpk= 10, iat=2152,2116, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 135 GLU HN 137 MET HN 5.50 (# 1039:10 Unique 4.06, 4.09 A)
&rst
ixpk= 1039, nxpk= 10, iat=2091,2116, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 MET HN 73 THR HN 5.50 (# 1040:10 Unique 4.34, 4.43 A)
&rst
ixpk= 1040, nxpk= 10, iat=1128,1114, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 120 ILE HN 73 THR HN 4.50 (# 1041:10 Unique 2.24, 2.47 A)
&rst
ixpk= 1041, nxpk= 10, iat=1864,1114, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1042 73 THR HN 5.50 (# 1042:10 Single Ambig)
&rst
ixpk= 1042, nxpk= 10, iat= -1,1114, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1850,1866,
&end
#
# 72 GLY HA- 73 THR HN 4.50 (# 1043:10 Unique 2.73, 3.18 A)
&rst
ixpk= 1043, nxpk= 10, iat= -1,1114, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1109,1110,
&end
#
# 0 AMB 10-2:1044 73 THR HN 5.50 (# 1044:10 Single Ambig)
&rst
ixpk= 1044, nxpk= 10, iat= -1,1114, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2123,2124,1069,1070,
&end
#
# 137 MET ME 73 THR HN 5.50 (# 1045:10 Unique 3.14, 4.86 A)
&rst
ixpk= 1045, nxpk= 10, iat= -1,1114, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2127,2128,2129,
&end
#
# 0 AMB 10-2:1046 73 THR HN 5.50 (# 1046:10 Single Ambig)
&rst
ixpk= 1046, nxpk= 10, iat= -1,1114, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1100,1101,1149,1150,1890,1891,1025,1026,
&end
#
# 70 THR MG2 73 THR HN 5.50 (# 1047:10 Unique 3.59, 5.72 A)
&rst
ixpk= 1047, nxpk= 10, iat= -1,1114, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1085,1086,1087,
&end
#
# 149 LEU MDX 152 SER HN 5.50 (# 1048:10 Unique 4.63, 6.94 A)
&rst
ixpk= 1048, nxpk= 10, iat= -1,2355, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2306,2307,2308,2310,2311,2312,
&end
#
# 0 AMB 10-2:1049 152 SER HN 5.50 (# 1049:10 Single Ambig)
&rst
ixpk= 1049, nxpk= 10, iat= -1,2355, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2379,2380,2381,2383,2384,2385,1761,1762,
&end
#
# 0 AMB 10-2:1050 152 SER HN 5.50 (# 1050:10 Single Ambig)
&rst
ixpk= 1050, nxpk= 10, iat= -1,2355, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=2301,2302, 58, 59, 60,
&end
#
# 0 AMB 10-2:1051 152 SER HN 5.50 (# 1051:10 Single Ambig)
&rst
ixpk= 1051, nxpk= 10, iat= -1,2355, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2323,2324,2377,
&end
#
# 150 ARG HB- 152 SER HN 5.50 (# 1052:10 Unique 5.15, 5.68 A)
&rst
ixpk= 1052, nxpk= 10, iat= -1,2355, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2320,2321,
&end
#
# 151 GLU HB- 152 SER HN 4.50 (# 1053:10 Unique 2.67, 3.30 A)
&rst
ixpk= 1053, nxpk= 10, iat= -1,2355, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2344,2345,
&end
#
# 151 GLU HG- 152 SER HN 5.50 (# 1054:10 Unique 4.36, 4.73 A)
&rst
ixpk= 1054, nxpk= 10, iat= -1,2355, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2347,2348,
&end
#
# 151 GLU HB+ 152 SER HN 4.50 (# 1055:10 Unique 2.67, 3.30 A)
&rst
ixpk= 1055, nxpk= 10, iat= -1,2355, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2344,2345,
&end
#
# 151 GLU HG+ 152 SER HN 5.50 (# 1056:10 Unique 4.36, 4.73 A)
&rst
ixpk= 1056, nxpk= 10, iat= -1,2355, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2347,2348,
&end
#
# 149 LEU HN 152 SER HN 5.50 (# 1057:10 Unique 4.35, 4.52 A)
&rst
ixpk= 1057, nxpk= 10, iat=2297,2355, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 150 ARG HN 152 SER HN 5.50 (# 1058:10 Unique 3.96, 4.15 A)
&rst
ixpk= 1058, nxpk= 10, iat=2316,2355, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1059 29 ARG HN 5.50 (# 1059:10 Single Ambig)
&rst
ixpk= 1059, nxpk= 10, iat= -1, 447, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 405, 406, 407, 409, 410, 411, 520, 521, 522, 524,
525, 526,
&end
#
# 0 AMB 10-2:1060 29 ARG HN 5.50 (# 1060:10 Single Ambig)
&rst
ixpk= 1060, nxpk= 10, iat= -1, 447, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 505, 506, 507, 621, 622, 623,
&end
#
# 0 AMB 10-2:1061 29 ARG HN 5.50 (# 1061:10 Single Ambig)
&rst
ixpk= 1061, nxpk= 10, iat= -1, 447, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2200,2201,2202,2204,2205,2206,2200,2201,2202,2204,
2205,2206,
&end
#
# 28 GLN HG- 29 ARG HN 5.50 (# 1062:10 Unique 3.30, 4.08 A)
&rst
ixpk= 1062, nxpk= 10, iat= -1, 447, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 437, 438,
&end
#
# 0 AMB 10-2:1063 29 ARG HN 5.50 (# 1063:10 Single Ambig)
&rst
ixpk= 1063, nxpk= 10, iat= -1, 447, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 437, 438, 475, 476,
&end
#
# 29 ARG HD+ 29 ARG HN 4.50 (# 1064:10 Unique 4.23, 4.84 A)
&rst
ixpk= 1064, nxpk= 10, iat= -1, 447, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 457, 458,
&end
#
# 0 AMB 10-2:1065 29 ARG HN 5.50 (# 1065:10 Single Ambig)
&rst
ixpk= 1065, nxpk= 10, iat= -1, 447, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 457, 458,2457,2458,
&end
#
# 30 TYR HE 29 ARG HN 5.50 (# 1066:10 Unique 5.41, 7.14 A)
&rst
ixpk= 1066, nxpk= 10, iat= -1, 447, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 481, 486,
&end
#
# 30 TYR HD 29 ARG HN 4.50 (# 1067:10 Unique 3.58, 5.74 A)
&rst
ixpk= 1067, nxpk= 10, iat= -1, 447, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 479, 488,
&end
#
# 0 AMB 10-2:1068 70 THR HN 5.50 (# 1068:10 Single Ambig)
&rst
ixpk= 1068, nxpk= 10, iat= -1,1079, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1085,1086,1087,1028,1029,
&end
#
# 69 ASN HB- 70 THR HN 5.50 (# 1069:10 Unique 2.34, 3.79 A)
&rst
ixpk= 1069, nxpk= 10, iat= -1,1079, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1069,1070,
&end
#
# 69 ASN HB+ 70 THR HN 4.50 (# 1070:10 Unique 2.34, 3.79 A)
&rst
ixpk= 1070, nxpk= 10, iat= -1,1079, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1069,1070,
&end
#
# 70 THR HB 70 THR HN 4.50 (# 1071:10 Unique 2.17, 2.78 A)
&rst
ixpk= 1071, nxpk= 10, iat=1083,1079, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 70 THR HA 70 THR HN 5.50 (# 1072:10 Unique 2.28, 2.66 A)
&rst
ixpk= 1072, nxpk= 10, iat=1081,1079, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1073 70 THR HN 5.50 (# 1073:10 Single Ambig)
&rst
ixpk= 1073, nxpk= 10, iat= -1,1079, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1065,1074,1075,
&end
#
# 109 GLU HB- 54 ASN HD2- 5.50 (# 1074:10 Unique 2.75, 5.27 A)
&rst
ixpk= 1074, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1684,1685,
igr2= 828, 829,
&end
#
# 54 ASN HA 54 ASN HD2- 5.50 (# 1075:10 Unique 2.16, 3.79 A)
&rst
ixpk= 1075, nxpk= 10, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 828, 829,
&end
#
# 109 GLU HA 54 ASN HD2- 5.50 (# 1076:10 Unique 3.21, 5.24 A)
&rst
ixpk= 1076, nxpk= 10, iat=1682, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 828, 829,
&end
#
# 0 AMB 10-2:1077 0 AMB 10-1:1077 4.50 (# 1077:10 Double Ambig)
&rst
ixpk= 1077, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1687,1688,1687,1688,
igr2= 828, 829, 828, 829,
&end
#
# 54 ASN HA 54 ASN HD2+ 5.50 (# 1078:10 Unique 2.16, 3.79 A)
&rst
ixpk= 1078, nxpk= 10, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 828, 829,
&end
#
# 0 AMB 10-2:1079 7 GLY HN 5.50 (# 1079:10 Single Ambig)
&rst
ixpk= 1079, nxpk= 10, iat= -1, 118, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 89, 90, 91, 93, 94, 95,1508,1509,1510,1512,
1513,1514,1508,1509,1510,1512,1513,1514,
&end
#
# 0 AMB 10-2:1080 7 GLY HN 4.50 (# 1080:10 Single Ambig)
&rst
ixpk= 1080, nxpk= 10, iat= -1, 118, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 636, 637, 638, 640, 641, 642, 302, 303, 304, 306,
307, 308,
&end
#
# 39 LEU HB- 7 GLY HN 5.50 (# 1081:10 Unique 2.92, 3.99 A)
&rst
ixpk= 1081, nxpk= 10, iat= -1, 118, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 631, 632,
&end
#
# 0 AMB 10-2:1082 7 GLY HN 4.50 (# 1082:10 Single Ambig)
&rst
ixpk= 1082, nxpk= 10, iat= -1, 118, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 106, 739, 740, 690, 691, 692,
&end
#
# 39 LEU HB+ 7 GLY HN 5.50 (# 1083:10 Unique 2.92, 3.99 A)
&rst
ixpk= 1083, nxpk= 10, iat= -1, 118, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 631, 632,
&end
#
# 6 LEU HB+ 7 GLY HN 5.50 (# 1084:10 Unique 3.02, 3.72 A)
&rst
ixpk= 1084, nxpk= 10, iat= -1, 118, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 103, 104,
&end
#
# 0 AMB 10-2:1085 7 GLY HN 5.50 (# 1085:10 Single Ambig)
&rst
ixpk= 1085, nxpk= 10, iat= -1, 118, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 359, 129, 378, 379,
&end
#
# 8 VAL HN 7 GLY HN 5.50 (# 1086:10 Unique 3.77, 3.96 A)
&rst
ixpk= 1086, nxpk= 10, iat= 125, 118, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 6 LEU HN 7 GLY HN 5.50 (# 1087:10 Unique 4.41, 4.57 A)
&rst
ixpk= 1087, nxpk= 10, iat= 99, 118, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 GLY HN 7 GLY HN 4.50 (# 1088:10 Unique 2.22, 2.72 A)
&rst
ixpk= 1088, nxpk= 10, iat= 658, 118, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1089 21 ARG HN 4.50 (# 1089:10 Single Ambig)
&rst
ixpk= 1089, nxpk= 10, iat= -1, 312, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 168, 169, 170,2023,2024,2025,2027,2028,2029, 276,
277, 278,
&end
#
# 0 AMB 10-2:1090 0 AMB 10-1:1090 5.50 (# 1090:10 Double Ambig)
&rst
ixpk= 1090, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1= 400, 401, 947, 948, 949,
igr2= 430, 312,
&end
#
# 0 AMB 10-2:1091 28 GLN HN 4.50 (# 1091:10 Single Ambig)
&rst
ixpk= 1091, nxpk= 10, iat= -1, 430, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 454, 455, 403, 390, 391, 392, 618, 619,
&end
#
# 21 ARG HD- 21 ARG HN 4.50 (# 1092:10 Unique 2.11, 3.30 A)
&rst
ixpk= 1092, nxpk= 10, iat= -1, 312, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 322, 323,
&end
#
# 20 VAL HA 21 ARG HN 5.50 (# 1093:10 Unique 3.51, 3.53 A)
&rst
ixpk= 1093, nxpk= 10, iat= 298, 312, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1094 21 ARG HN 5.50 (# 1094:10 Single Ambig)
&rst
ixpk= 1094, nxpk= 10, iat= -1, 312, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 325, 355,
&end
#
# 0 AMB 10-2:1095 0 AMB 10-1:1095 5.50 (# 1095:10 Double Ambig)
&rst
ixpk= 1095, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 442, 443, 270,
igr2= 430, 312,
&end
#
# 85 LEU MDY 86 PHE HN 4.50 (# 1096:10 Unique 2.58, 4.04 A)
&rst
ixpk= 1096, nxpk= 10, iat= -1,1325, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1315,1316,1317,1319,1320,1321,
&end
#
# 0 AMB 10-2:1097 86 PHE HN 4.50 (# 1097:10 Single Ambig)
&rst
ixpk= 1097, nxpk= 10, iat= -1,1325, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1315,1316,1317,1319,1320,1321,1190,1191,1192,1194,
1195,1196,
&end
#
# 0 AMB 10-2:1098 86 PHE HN 4.50 (# 1098:10 Single Ambig)
&rst
ixpk= 1098, nxpk= 10, iat= -1,1325, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1292,1298,
&end
#
# 0 AMB 10-2:1099 86 PHE HN 4.50 (# 1099:10 Single Ambig)
&rst
ixpk= 1099, nxpk= 10, iat= -1,1325, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1333,1341,1335,1339,
&end
#
# 0 AMB 10-2:1100 27 GLU HN 4.50 (# 1100:10 Single Ambig)
&rst
ixpk= 1100, nxpk= 10, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 405, 406, 407, 409, 410, 411, 520, 521, 522, 524,
525, 526,
&end
#
# 0 AMB 10-2:1101 27 GLU HN 5.50 (# 1101:10 Single Ambig)
&rst
ixpk= 1101, nxpk= 10, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2200,2201,2202,2204,2205,2206,2200,2201,2202,2204,
2205,2206, 361, 362, 363, 365, 366, 367,
&end
#
# 0 AMB 10-2:1102 27 GLU HN 5.50 (# 1102:10 Single Ambig)
&rst
ixpk= 1102, nxpk= 10, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 437, 438, 475, 476, 378, 379,
&end
#
# 23 VAL HA 27 GLU HN 4.50 (# 1103:10 Unique 3.92, 4.04 A)
&rst
ixpk= 1103, nxpk= 10, iat= 357, 415, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1104 139 GLU HN 4.50 (# 1104:10 Single Ambig)
&rst
ixpk= 1104, nxpk= 10, iat= -1,2152, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=2200,2201,2202,2204,2205,2206,2200,2201,2202,2204,
2205,2206,2146,2147,2148,
&end
#
# 138 ILE HA 139 GLU HN 4.50 (# 1105:10 Unique 3.50, 3.52 A)
&rst
ixpk= 1105, nxpk= 10, iat=2135,2152, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 137 MET HA 139 GLU HN 4.50 (# 1106:10 Unique 3.80, 4.01 A)
&rst
ixpk= 1106, nxpk= 10, iat=2118,2152, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 137 MET HN 139 GLU HN 5.50 (# 1107:10 Unique 4.43, 4.53 A)
&rst
ixpk= 1107, nxpk= 10, iat=2116,2152, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 142 LEU HN 139 GLU HN 5.50 (# 1108:10 Unique 4.61, 4.66 A)
&rst
ixpk= 1108, nxpk= 10, iat=2191,2152, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1109 14 THR HN 4.50 (# 1109:10 Single Ambig)
&rst
ixpk= 1109, nxpk= 10, iat= -1, 219, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1994,1995,1996, 209, 210, 211, 213, 214, 215,
&end
#
# 0 AMB 10-2:1110 14 THR HN 5.50 (# 1110:10 Single Ambig)
&rst
ixpk= 1110, nxpk= 10, iat= -1, 219, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1998,1999, 209, 210, 211, 213, 214, 215,
&end
#
# 13 LEU HG 14 THR HN 5.50 (# 1111:10 Unique 5.32, 5.57 A)
&rst
ixpk= 1111, nxpk= 10, iat= 207, 219, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 127 HIS HB- 14 THR HN 5.50 (# 1112:10 Unique 4.58, 5.89 A)
&rst
ixpk= 1112, nxpk= 10, iat= -1, 219, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1975,1976,
&end
#
# 127 HIS HB+ 14 THR HN 5.50 (# 1113:10 Unique 4.58, 5.89 A)
&rst
ixpk= 1113, nxpk= 10, iat= -1, 219, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1975,1976,
&end
#
# 13 LEU HN 14 THR HN 4.50 (# 1114:10 Unique 2.29, 2.48 A)
&rst
ixpk= 1114, nxpk= 10, iat= 200, 219, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1116 14 THR HN 5.50 (# 1116:10 Single Ambig)
&rst
ixpk= 1116, nxpk= 10, iat= -1, 219, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1988, 181,
&end
#
# 15 ASP HN 14 THR HN 5.50 (# 1117:10 Unique 4.10, 4.23 A)
&rst
ixpk= 1117, nxpk= 10, iat= 233, 219, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 129 GLY HN 14 THR HN 5.50 (# 1118:10 Unique 2.57, 4.07 A)
&rst
ixpk= 1118, nxpk= 10, iat=2007, 219, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 ILE MG2 12 LEU HN 4.50 (# 1119:10 Unique 4.32, 5.31 A)
&rst
ixpk= 1119, nxpk= 10, iat= -1, 181, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 168, 169, 170,
&end
#
# 13 LEU HG 12 LEU HN 5.50 (# 1120:10 Unique 5.37, 5.80 A)
&rst
ixpk= 1120, nxpk= 10, iat= 207, 181, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 ILE HB 12 LEU HN 5.50 (# 1122:10 Unique 4.32, 4.41 A)
&rst
ixpk= 1122, nxpk= 10, iat= 166, 181, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1123 12 LEU HN 5.50 (# 1123:10 Single Ambig)
&rst
ixpk= 1123, nxpk= 10, iat= -1, 181, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 152, 153, 249, 250,
&end
#
# 10 ASN HB+ 12 LEU HN 5.50 (# 1124:10 Unique 2.94, 4.02 A)
&rst
ixpk= 1124, nxpk= 10, iat= -1, 181, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 152, 153,
&end
#
# 11 ILE HA 12 LEU HN 4.50 (# 1125:10 Unique 2.65, 2.84 A)
&rst
ixpk= 1125, nxpk= 10, iat= 164, 181, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 10 ASN HA 12 LEU HN 4.50 (# 1126:10 Unique 3.18, 3.79 A)
&rst
ixpk= 1126, nxpk= 10, iat= 150, 181, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1127 12 LEU HN 5.50 (# 1127:10 Single Ambig)
&rst
ixpk= 1127, nxpk= 10, iat= -1, 181, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 202,1967,
&end
#
# 10 ASN HD2- 12 LEU HN 5.50 (# 1128:10 Unique 1.85, 2.85 A)
&rst
ixpk= 1128, nxpk= 10, iat= -1, 181, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 157, 158,
&end
#
# 83 PRO HB- 84 ALA HN 4.50 (# 1129:10 Unique 2.94, 3.62 A)
&rst
ixpk= 1129, nxpk= 10, iat= -1,1296, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1289,1290,
&end
#
# 83 PRO HG- 84 ALA HN 5.50 (# 1130:10 Unique 1.95, 3.00 A)
&rst
ixpk= 1130, nxpk= 10, iat= -1,1296, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1286,1287,
&end
#
# 83 PRO HG+ 84 ALA HN 4.50 (# 1131:10 Unique 1.95, 3.00 A)
&rst
ixpk= 1131, nxpk= 10, iat= -1,1296, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1286,1287,
&end
#
# 0 AMB 10-2:1132 84 ALA HN 5.50 (# 1132:10 Single Ambig)
&rst
ixpk= 1132, nxpk= 10, iat= -1,1296, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1283,1284,1268,
&end
#
# 104 LEU MDY 104 LEU HN 4.50 (# 1133:10 Unique 2.98, 4.61 A)
&rst
ixpk= 1133, nxpk= 10, iat= -1,1596, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1605,1606,1607,1609,1610,1611,
&end
#
# 104 LEU MDX 104 LEU HN 4.50 (# 1134:10 Unique 2.98, 4.61 A)
&rst
ixpk= 1134, nxpk= 10, iat= -1,1596, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1605,1606,1607,1609,1610,1611,
&end
#
# 49 LEU MDY 104 LEU HN 4.50 (# 1135:10 Unique 2.74, 4.74 A)
&rst
ixpk= 1135, nxpk= 10, iat= -1,1596, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 763, 764, 765, 767, 768, 769,
&end
#
# 104 LEU HB- 104 LEU HN 4.50 (# 1136:10 Unique 2.05, 2.59 A)
&rst
ixpk= 1136, nxpk= 10, iat= -1,1596, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1600,1601,
&end
#
# 0 AMB 10-2:1137 104 LEU HN 5.50 (# 1137:10 Single Ambig)
&rst
ixpk= 1137, nxpk= 10, iat= -1,1596, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1619,1620,1716,1717,
&end
#
# 100 VAL HA 104 LEU HN 5.50 (# 1138:10 Unique 3.66, 3.90 A)
&rst
ixpk= 1138, nxpk= 10, iat=1542,1596, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1139 104 LEU HN 4.50 (# 1139:10 Single Ambig)
&rst
ixpk= 1139, nxpk= 10, iat= -1,1596, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1558,1675,1676,1579,1580,
&end
#
# 160 SER HA 160 SER HN 4.50 (# 1140:10 Unique 2.27, 2.28 A)
&rst
ixpk= 1140, nxpk= 10, iat=2473,2471, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1141 160 SER HN 4.50 (# 1141:10 Single Ambig)
&rst
ixpk= 1141, nxpk= 10, iat= -1,2471, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2475,2476,2475,2476,2434,2435,
&end
#
# 161 ASP HA 160 SER HN 5.50 (# 1142:10 Unique 5.38, 5.44 A)
&rst
ixpk= 1142, nxpk= 10, iat=2484,2471, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 159 ARG HB+ 160 SER HN 5.50 (# 1143:10 Unique 3.79, 4.15 A)
&rst
ixpk= 1143, nxpk= 10, iat= -1,2471, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2451,2452,
&end
#
# 159 ARG HG- 160 SER HN 5.50 (# 1144:10 Unique 4.63, 5.06 A)
&rst
ixpk= 1144, nxpk= 10, iat= -1,2471, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2454,2455,
&end
#
# 0 AMB 10-2:1145 160 SER HN 5.50 (# 1145:10 Single Ambig)
&rst
ixpk= 1145, nxpk= 10, iat= -1,2471, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2451,2452,2454,2455,
&end
#
# 0 AMB 10-2:1146 113 LYS HN 4.50 (# 1146:10 Single Ambig)
&rst
ixpk= 1146, nxpk= 10, iat= -1,1751, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1758,1759,1761,1762,
&end
#
# 0 AMB 10-2:1147 113 LYS HN 4.50 (# 1147:10 Single Ambig)
&rst
ixpk= 1147, nxpk= 10, iat= -1,1751, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1736,1737, 837, 838,
&end
#
# 0 AMB 10-2:1148 113 LYS HN 5.50 (# 1148:10 Single Ambig)
&rst
ixpk= 1148, nxpk= 10, iat= -1,1751, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1777,1778,1716,1717, 28, 29,
&end
#
# 56 ASP HB- 113 LYS HN 5.50 (# 1149:10 Unique 4.16, 5.35 A)
&rst
ixpk= 1149, nxpk= 10, iat= -1,1751, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 861, 862,
&end
#
# 0 AMB 10-2:1150 113 LYS HN 5.50 (# 1150:10 Single Ambig)
&rst
ixpk= 1150, nxpk= 10, iat= -1,1751, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 873, 874,1699,1700,
&end
#
# 0 AMB 10-2:1151 113 LYS HN 5.50 (# 1151:10 Single Ambig)
&rst
ixpk= 1151, nxpk= 10, iat= -1,1751, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 873, 874,1716,1717,1699,1700,
&end
#
# 56 ASP HA 113 LYS HN 5.50 (# 1152:10 Unique 3.23, 3.52 A)
&rst
ixpk= 1152, nxpk= 10, iat= 859,1751, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 111 PRO HA 113 LYS HN 4.50 (# 1153:10 Unique 4.20, 4.46 A)
&rst
ixpk= 1153, nxpk= 10, iat=1725,1751, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 114 LEU HA 113 LYS HN 5.50 (# 1154:10 Unique 4.53, 4.67 A)
&rst
ixpk= 1154, nxpk= 10, iat=1775,1751, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 LEU HN 113 LYS HN 4.50 (# 1156:10 Unique 3.83, 4.16 A)
&rst
ixpk= 1156, nxpk= 10, iat= 886,1751, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1157 136 ALA HN 5.50 (# 1157:10 Single Ambig)
&rst
ixpk= 1157, nxpk= 10, iat= -1,2106, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 283, 284, 285,2023,2024,2025,2027,2028,2029,2146,
2147,2148,
&end
#
# 0 AMB 10-2:1158 136 ALA HN 5.50 (# 1158:10 Single Ambig)
&rst
ixpk= 1158, nxpk= 10, iat= -1,2106, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2081,2082,2083,2085,2086,2087,2081,2082,2083,2085,
2086,2087,2023,2024,2025,2027,2028,2029,
&end
#
# 137 MET HG- 136 ALA HN 5.50 (# 1159:10 Unique 3.76, 4.93 A)
&rst
ixpk= 1159, nxpk= 10, iat= -1,2106, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2123,2124,
&end
#
# 134 VAL HA 136 ALA HN 5.50 (# 1160:10 Unique 3.53, 3.71 A)
&rst
ixpk= 1160, nxpk= 10, iat=2077,2106, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 132 PRO HA 136 ALA HN 5.50 (# 1161:10 Unique 4.22, 5.04 A)
&rst
ixpk= 1161, nxpk= 10, iat=2057,2106, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1162 55 ARG HN 4.50 (# 1162:10 Single Ambig)
&rst
ixpk= 1162, nxpk= 10, iat= -1, 833, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 840, 841,1719,1720,
&end
#
# 55 ARG HB+ 55 ARG HN 4.50 (# 1163:10 Unique 2.65, 3.52 A)
&rst
ixpk= 1163, nxpk= 10, iat= -1, 833, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 837, 838,
&end
#
# 0 AMB 10-2:1164 55 ARG HN 3.50 (# 1164:10 Single Ambig)
&rst
ixpk= 1164, nxpk= 10, iat= -1, 833, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 840, 841,1719,1720,
&end
#
# 111 PRO HB+ 55 ARG HN 5.50 (# 1165:10 Unique 2.18, 3.77 A)
&rst
ixpk= 1165, nxpk= 10, iat= -1, 833, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1722,1723,
&end
#
# 55 ARG HD+ 55 ARG HN 5.50 (# 1166:10 Unique 3.26, 4.75 A)
&rst
ixpk= 1166, nxpk= 10, iat= -1, 833, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 843, 844,
&end
#
# 0 AMB 10-2:1167 55 ARG HN 5.50 (# 1167:10 Single Ambig)
&rst
ixpk= 1167, nxpk= 10, iat= -1, 833, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 843, 844, 823, 824,
&end
#
# 53 ALA HA 55 ARG HN 5.50 (# 1168:10 Unique 4.53, 5.21 A)
&rst
ixpk= 1168, nxpk= 10, iat= 811, 833, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 ARG HA 55 ARG HN 4.50 (# 1169:10 Unique 2.76, 2.83 A)
&rst
ixpk= 1169, nxpk= 10, iat= 835, 833, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 54 ASN HN 55 ARG HN 4.50 (# 1170:10 Unique 3.33, 3.91 A)
&rst
ixpk= 1170, nxpk= 10, iat= 819, 833, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1171 18 ILE HN 5.50 (# 1171:10 Single Ambig)
&rst
ixpk= 1171, nxpk= 10, iat= -1, 270, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1854,1855,1856,1858,1859,1860,1994,1995,1996, 349,
350, 351, 302, 303, 304, 306, 307, 308,
&end
#
# 18 ILE HG1- 18 ILE HN 4.50 (# 1172:10 Unique 4.49, 4.57 A)
&rst
ixpk= 1172, nxpk= 10, iat= -1, 270, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 280, 281,
&end
#
# 63 ALA MB 18 ILE HN 4.50 (# 1173:10 Unique 4.36, 5.42 A)
&rst
ixpk= 1173, nxpk= 10, iat= -1, 270, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 969, 970, 971,
&end
#
# 21 ARG HG+ 18 ILE HN 5.50 (# 1174:10 Unique 3.47, 4.17 A)
&rst
ixpk= 1174, nxpk= 10, iat= -1, 270, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 319, 320,
&end
#
# 15 ASP HA 18 ILE HN 5.50 (# 1175:10 Unique 3.11, 3.36 A)
&rst
ixpk= 1175, nxpk= 10, iat= 235, 270, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1176 18 ILE HN 5.50 (# 1176:10 Single Ambig)
&rst
ixpk= 1176, nxpk= 10, iat= -1, 270, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 245, 965,
&end
#
# 19 GLY HN 18 ILE HN 4.50 (# 1177:10 Unique 2.78, 2.84 A)
&rst
ixpk= 1177, nxpk= 10, iat= 289, 270, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1178 30 TYR HN 4.50 (# 1178:10 Single Ambig)
&rst
ixpk= 1178, nxpk= 10, iat= -1, 471, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 405, 406, 407, 409, 410, 411, 520, 521, 522, 524,
525, 526,
&end
#
# 0 AMB 10-2:1179 30 TYR HN 4.50 (# 1179:10 Single Ambig)
&rst
ixpk= 1179, nxpk= 10, iat= -1, 471, r1= 1.30, r2= 1.80, r3= 7.22, r4= 7.72,
igr1=2200,2201,2202,2204,2205,2206,2200,2201,2202,2204,
2205,2206, 502, 503,2408,2409,2410,
&end
#
# 0 AMB 10-2:1180 30 TYR HN 4.50 (# 1180:10 Single Ambig)
&rst
ixpk= 1180, nxpk= 10, iat= -1, 471, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 400, 401,2451,2452,
&end
#
# 0 AMB 10-2:1181 30 TYR HN 5.50 (# 1181:10 Single Ambig)
&rst
ixpk= 1181, nxpk= 10, iat= -1, 471, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 434, 435, 419, 420, 419, 420,2440,2441,
&end
#
# 159 ARG HD+ 30 TYR HN 5.50 (# 1182:10 Unique 4.78, 6.21 A)
&rst
ixpk= 1182, nxpk= 10, iat= -1, 471, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2457,2458,
&end
#
# 0 AMB 10-2:1183 30 TYR HN 5.50 (# 1183:10 Single Ambig)
&rst
ixpk= 1183, nxpk= 10, iat= -1, 471, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 457, 458,2457,2458,
&end
#
# 0 AMB 10-2:1184 30 TYR HN 5.50 (# 1184:10 Single Ambig)
&rst
ixpk= 1184, nxpk= 10, iat= -1, 471, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2443,2406,
&end
#
# 30 TYR HE 30 TYR HN 4.50 (# 1185:10 Unique 4.20, 5.46 A)
&rst
ixpk= 1185, nxpk= 10, iat= -1, 471, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 481, 486,
&end
#
# 31 ILE HN 30 TYR HN 5.50 (# 1186:10 Unique 4.43, 4.50 A)
&rst
ixpk= 1186, nxpk= 10, iat= 492, 471, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 82 VAL MGX 81 GLU HN 4.50 (# 1187:10 Unique 2.80, 4.92 A)
&rst
ixpk= 1187, nxpk= 10, iat= -1,1251, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1272,1273,1274,1276,1277,1278,
&end
#
# 0 AMB 10-2:1188 81 GLU HN 5.50 (# 1188:10 Single Ambig)
&rst
ixpk= 1188, nxpk= 10, iat= -1,1251, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1190,1191,1192,1194,1195,1196,1190,1191,1192,1194,
1195,1196,
&end
#
# 77 LEU HB- 81 GLU HN 5.50 (# 1189:10 Unique 4.10, 5.41 A)
&rst
ixpk= 1189, nxpk= 10, iat= -1,1251, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1185,1186,
&end
#
# 0 AMB 10-2:1190 81 GLU HN 5.50 (# 1190:10 Single Ambig)
&rst
ixpk= 1190, nxpk= 10, iat= -1,1251, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1188,1780,1310,1311,
&end
#
# 78 ARG HB+ 81 GLU HN 5.50 (# 1191:10 Unique 2.52, 3.48 A)
&rst
ixpk= 1191, nxpk= 10, iat= -1,1251, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1204,1205,
&end
#
# 0 AMB 10-2:1192 81 GLU HN 4.50 (# 1192:10 Single Ambig)
&rst
ixpk= 1192, nxpk= 10, iat= -1,1251, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1228,1229,1625,1626,
&end
#
# 83 PRO HD+ 81 GLU HN 5.50 (# 1193:10 Unique 2.66, 3.47 A)
&rst
ixpk= 1193, nxpk= 10, iat= -1,1251, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1283,1284,
&end
#
# 78 ARG HN 81 GLU HN 4.50 (# 1194:10 Unique 3.48, 3.56 A)
&rst
ixpk= 1194, nxpk= 10, iat=1200,1251, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1195 43 THR HN 5.50 (# 1195:10 Single Ambig)
&rst
ixpk= 1195, nxpk= 10, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 131, 132, 133, 135, 136, 137, 131, 132, 133, 135,
136, 137,
&end
#
# 0 AMB 10-2:1196 43 THR HN 5.50 (# 1196:10 Single Ambig)
&rst
ixpk= 1196, nxpk= 10, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 302, 303, 304, 306, 307, 308, 302, 303, 304, 306,
307, 308,
&end
#
# 44 ALA MB 43 THR HN 5.50 (# 1197:10 Unique 4.43, 5.35 A)
&rst
ixpk= 1197, nxpk= 10, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 690, 691, 692,
&end
#
# 0 AMB 10-2:1198 43 THR HN 4.50 (# 1198:10 Single Ambig)
&rst
ixpk= 1198, nxpk= 10, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 660, 661, 688,
&end
#
# 10 ASN HA 43 THR HN 4.50 (# 1199:10 Unique 2.11, 2.56 A)
&rst
ixpk= 1199, nxpk= 10, iat= 150, 672, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1200 43 THR HN 5.50 (# 1200:10 Single Ambig)
&rst
ixpk= 1200, nxpk= 10, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 148, 141,
&end
#
# 42 GLY HN 43 THR HN 4.50 (# 1201:10 Unique 3.31, 3.53 A)
&rst
ixpk= 1201, nxpk= 10, iat= 665, 672, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 120 ILE MD1 69 ASN HN 5.50 (# 1202:10 Unique 3.29, 5.34 A)
&rst
ixpk= 1202, nxpk= 10, iat= -1,1065, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1877,1878,1879,
&end
#
# 67 LYS HG+ 69 ASN HN 5.50 (# 1203:10 Unique 1.88, 3.88 A)
&rst
ixpk= 1203, nxpk= 10, iat= -1,1065, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1028,1029,
&end
#
# 0 AMB 10-2:1204 69 ASN HN 5.50 (# 1204:10 Single Ambig)
&rst
ixpk= 1204, nxpk= 10, iat= -1,1065, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1025,1026,1053,1054,1053,1054,
&end
#
# 68 LYS HB+ 69 ASN HN 5.50 (# 1205:10 Unique 3.80, 4.33 A)
&rst
ixpk= 1205, nxpk= 10, iat= -1,1065, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1047,1048,
&end
#
# 69 ASN HB- 69 ASN HN 4.50 (# 1206:10 Unique 2.09, 2.96 A)
&rst
ixpk= 1206, nxpk= 10, iat= -1,1065, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1069,1070,
&end
#
# 69 ASN HB+ 69 ASN HN 5.50 (# 1207:10 Unique 2.09, 2.96 A)
&rst
ixpk= 1207, nxpk= 10, iat= -1,1065, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1069,1070,
&end
#
# 0 AMB 10-2:1208 8 VAL HN 4.50 (# 1208:10 Single Ambig)
&rst
ixpk= 1208, nxpk= 10, iat= -1, 125, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 302, 303, 304, 306, 307, 308, 302, 303, 304, 306,
307, 308,
&end
#
# 0 AMB 10-2:1209 8 VAL HN 5.50 (# 1209:10 Single Ambig)
&rst
ixpk= 1209, nxpk= 10, iat= -1, 125, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70,
igr1= 361, 362, 363, 365, 366, 367, 168, 169, 170,1503,
1504,
&end
#
# 61 ALA MB 8 VAL HN 4.50 (# 1210:10 Unique 3.97, 4.97 A)
&rst
ixpk= 1210, nxpk= 10, iat= -1, 125, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 947, 948, 949,
&end
#
# 8 VAL HB 8 VAL HN 3.50 (# 1211:10 Unique 3.69, 3.84 A)
&rst
ixpk= 1211, nxpk= 10, iat= 129, 125, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1212 8 VAL HN 4.50 (# 1212:10 Single Ambig)
&rst
ixpk= 1212, nxpk= 10, iat= -1, 125, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 291, 292, 143, 144,
&end
#
# 19 GLY HA+ 8 VAL HN 4.50 (# 1213:10 Unique 3.59, 4.28 A)
&rst
ixpk= 1213, nxpk= 10, iat= -1, 125, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 291, 292,
&end
#
# 62 ASP HA 8 VAL HN 5.50 (# 1214:10 Unique 4.03, 4.29 A)
&rst
ixpk= 1214, nxpk= 10, iat= 955, 125, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 ALA HN 8 VAL HN 4.50 (# 1215:10 Unique 3.18, 3.39 A)
&rst
ixpk= 1215, nxpk= 10, iat= 943, 125, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 7 GLY HN 8 VAL HN 5.50 (# 1216:10 Unique 3.77, 3.96 A)
&rst
ixpk= 1216, nxpk= 10, iat= 118, 125, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 GLY HN 8 VAL HN 5.50 (# 1217:10 Unique 5.73, 5.87 A)
&rst
ixpk= 1217, nxpk= 10, iat= 289, 125, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1218 144 GLN HN 4.50 (# 1218:10 Single Ambig)
&rst
ixpk= 1218, nxpk= 10, iat= -1,2225, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=2248,2249,2250,2252,2253,2254,1831,1832,1833,1835,
1836,1837, 405, 406, 407, 409, 410, 411,
&end
#
# 0 AMB 10-2:1219 144 GLN HN 5.50 (# 1219:10 Single Ambig)
&rst
ixpk= 1219, nxpk= 10, iat= -1,2225, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2185,2186,2187, 947, 948, 949,
&end
#
# 0 AMB 10-2:1220 144 GLN HN 5.50 (# 1220:10 Single Ambig)
&rst
ixpk= 1220, nxpk= 10, iat= -1,2225, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2281,2282,2283,2291,2292,2293,
&end
#
# 0 AMB 10-2:1221 144 GLN HN 4.50 (# 1221:10 Single Ambig)
&rst
ixpk= 1221, nxpk= 10, iat= -1,2225, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1139,1140,1141,2195,2196,2195,2196,
&end
#
# 143 GLU HA 144 GLN HN 4.50 (# 1222:10 Unique 3.51, 3.53 A)
&rst
ixpk= 1222, nxpk= 10, iat=2212,2225, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 142 LEU HA 144 GLN HN 5.50 (# 1223:10 Unique 4.19, 4.30 A)
&rst
ixpk= 1223, nxpk= 10, iat=2193,2225, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 140 PRO HA 144 GLN HN 5.50 (# 1224:10 Unique 3.86, 4.02 A)
&rst
ixpk= 1224, nxpk= 10, iat=2177,2225, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 146 LEU HN 144 GLN HN 5.50 (# 1225:10 Unique 4.15, 4.24 A)
&rst
ixpk= 1225, nxpk= 10, iat=2258,2225, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 142 LEU HN 144 GLN HN 5.50 (# 1226:10 Unique 4.02, 4.08 A)
&rst
ixpk= 1226, nxpk= 10, iat=2191,2225, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 VAL MGY 26 LEU HN 5.50 (# 1227:10 Unique 5.26, 6.20 A)
&rst
ixpk= 1227, nxpk= 10, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 361, 362, 363, 365, 366, 367,
&end
#
# 0 AMB 10-2:1228 26 LEU HN 3.50 (# 1228:10 Single Ambig)
&rst
ixpk= 1228, nxpk= 10, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 419, 420, 419, 420, 375, 376, 434, 435, 359,
&end
#
# 30 TYR HD 26 LEU HN 5.50 (# 1229:10 Unique 4.80, 7.56 A)
&rst
ixpk= 1229, nxpk= 10, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 479, 488,
&end
#
# 0 AMB 10-2:1230 17 ALA HN 5.50 (# 1230:10 Single Ambig)
&rst
ixpk= 1230, nxpk= 10, iat= -1, 260, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 274, 300,
&end
#
# 16 GLU HB+ 17 ALA HN 4.50 (# 1231:10 Unique 2.81, 3.36 A)
&rst
ixpk= 1231, nxpk= 10, iat= -1, 260, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 249, 250,
&end
#
# 0 AMB 10-2:1232 17 ALA HN 4.50 (# 1232:10 Single Ambig)
&rst
ixpk= 1232, nxpk= 10, iat= -1, 260, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 249, 250, 252, 253,
&end
#
# 15 ASP HN 17 ALA HN 5.50 (# 1233:10 Unique 4.01, 4.16 A)
&rst
ixpk= 1233, nxpk= 10, iat= 233, 260, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1234 125 GLU HN 4.50 (# 1234:10 Single Ambig)
&rst
ixpk= 1234, nxpk= 10, iat= -1,1942, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1932,1933,1934,1936,1937,1938,1932,1933,1934,1936,
1937,1938,2081,2082,2083,2085,2086,2087,
&end
#
# 123 SER HB- 125 GLU HN 4.50 (# 1235:10 Unique 2.62, 3.84 A)
&rst
ixpk= 1235, nxpk= 10, iat= -1,1942, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1916,1917,
&end
#
# 126 PRO HD+ 125 GLU HN 5.50 (# 1236:10 Unique 4.73, 4.89 A)
&rst
ixpk= 1236, nxpk= 10, iat= -1,1942, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1958,1959,
&end
#
# 123 SER HB+ 125 GLU HN 5.50 (# 1237:10 Unique 2.62, 3.84 A)
&rst
ixpk= 1237, nxpk= 10, iat= -1,1942, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1916,1917,
&end
#
# 15 ASP HN 125 GLU HN 5.50 (# 1238:10 Unique 3.28, 3.71 A)
&rst
ixpk= 1238, nxpk= 10, iat= 233,1942, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 119 VAL MGY 119 VAL HN 4.50 (# 1239:10 Unique 1.94, 3.31 A)
&rst
ixpk= 1239, nxpk= 10, iat= -1,1848, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1854,1855,1856,1858,1859,1860,
&end
#
# 0 AMB 10-2:1240 119 VAL HN 3.50 (# 1240:10 Single Ambig)
&rst
ixpk= 1240, nxpk= 10, iat= -1,1848, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 985, 986, 276, 277, 278,
&end
#
# 0 AMB 10-2:1241 119 VAL HN 5.50 (# 1241:10 Single Ambig)
&rst
ixpk= 1241, nxpk= 10, iat= -1,1848, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 280, 281,1120,1121,1122,
&end
#
# 0 AMB 10-2:1242 119 VAL HN 4.50 (# 1242:10 Single Ambig)
&rst
ixpk= 1242, nxpk= 10, iat= -1,1848, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 985, 986, 969, 970, 971,
&end
#
# 0 AMB 10-2:1243 119 VAL HN 5.50 (# 1243:10 Single Ambig)
&rst
ixpk= 1243, nxpk= 10, iat= -1,1848, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 979,1149,1150,
&end
#
# 0 AMB 10-2:1244 119 VAL HN 5.50 (# 1244:10 Single Ambig)
&rst
ixpk= 1244, nxpk= 10, iat= -1,1848, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 977,1827, 291, 292,
&end
#
# 0 AMB 10-2:1245 119 VAL HN 5.50 (# 1245:10 Single Ambig)
&rst
ixpk= 1245, nxpk= 10, iat= -1,1848, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1841, 965,
&end
#
# 120 ILE HN 119 VAL HN 5.50 (# 1246:10 Unique 4.45, 4.50 A)
&rst
ixpk= 1246, nxpk= 10, iat=1864,1848, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 ASP HN 119 VAL HN 5.50 (# 1247:10 Unique 3.84, 4.21 A)
&rst
ixpk= 1247, nxpk= 10, iat= 953,1848, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 105 ARG HG- 106 PHE HN 4.50 (# 1248:10 Unique 2.15, 3.06 A)
&rst
ixpk= 1248, nxpk= 10, iat= -1,1639, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1622,1623,
&end
#
# 0 AMB 10-2:1249 106 PHE HN 4.50 (# 1249:10 Single Ambig)
&rst
ixpk= 1249, nxpk= 10, iat= -1,1639, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1617,1675,1676,
&end
#
# 106 PHE HD 106 PHE HN 4.50 (# 1250:10 Unique 2.61, 3.95 A)
&rst
ixpk= 1250, nxpk= 10, iat= -1,1639, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1647,1655,
&end
#
# 33 PRO HG- 34 ASP HN 5.50 (# 1251:10 Unique 3.73, 4.17 A)
&rst
ixpk= 1251, nxpk= 10, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 534, 535,
&end
#
# 35 TYR HD 34 ASP HN 5.50 (# 1252:10 Unique 3.48, 4.70 A)
&rst
ixpk= 1252, nxpk= 10, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 564, 573,
&end
#
# 36 VAL HN 34 ASP HN 5.50 (# 1253:10 Unique 3.66, 3.70 A)
&rst
ixpk= 1253, nxpk= 10, iat= 577, 544, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1254 20 VAL HN 4.50 (# 1254:10 Single Ambig)
&rst
ixpk= 1254, nxpk= 10, iat= -1, 296, r1= 1.30, r2= 1.80, r3= 8.06, r4= 8.56,
igr1= 361, 362, 363, 365, 366, 367,2023,2024,2025,2027,
2028,2029, 283, 284, 285, 131, 132, 133, 135, 136,
137, 131, 132, 133, 135, 136, 137,2146,2147,2148,
175, 176, 177,
&end
#
# 0 AMB 10-2:1255 20 VAL HN 4.50 (# 1255:10 Single Ambig)
&rst
ixpk= 1255, nxpk= 10, iat= -1, 296, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 168, 169, 170, 276, 277, 278, 361, 362, 363, 365,
366, 367,
&end
#
# 0 AMB 10-2:1256 20 VAL HN 5.50 (# 1256:10 Single Ambig)
&rst
ixpk= 1256, nxpk= 10, iat= -1, 296, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1= 947, 948, 949, 172, 173, 172, 173,
&end
#
# 0 AMB 10-2:1257 20 VAL HN 5.50 (# 1257:10 Single Ambig)
&rst
ixpk= 1257, nxpk= 10, iat= -1, 296, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 319, 320, 264, 265, 266,
&end
#
# 21 ARG HG+ 20 VAL HN 5.50 (# 1258:10 Unique 3.24, 4.48 A)
&rst
ixpk= 1258, nxpk= 10, iat= -1, 296, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 319, 320,
&end
#
# 0 AMB 10-2:1259 20 VAL HN 4.50 (# 1259:10 Single Ambig)
&rst
ixpk= 1259, nxpk= 10, iat= -1, 296, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 262, 272,
&end
#
# 21 ARG HA 20 VAL HN 5.50 (# 1260:10 Unique 4.86, 5.04 A)
&rst
ixpk= 1260, nxpk= 10, iat= 314, 296, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 GLY HA+ 20 VAL HN 5.50 (# 1261:10 Unique 4.08, 5.62 A)
&rst
ixpk= 1261, nxpk= 10, iat= -1, 296, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 143, 144,
&end
#
# 62 ASP HA 20 VAL HN 5.50 (# 1262:10 Unique 4.54, 4.77 A)
&rst
ixpk= 1262, nxpk= 10, iat= 955, 296, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 ILE HN 20 VAL HN 5.50 (# 1263:10 Unique 3.70, 3.93 A)
&rst
ixpk= 1263, nxpk= 10, iat= 336, 296, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1264 51 ASP HN 5.50 (# 1264:10 Single Ambig)
&rst
ixpk= 1264, nxpk= 10, iat= -1, 780, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 813, 814, 815, 106,
&end
#
# 0 AMB 10-2:1265 51 ASP HN 5.50 (# 1265:10 Single Ambig)
&rst
ixpk= 1265, nxpk= 10, iat= -1, 780, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1= 761, 742, 893, 837, 838, 631, 632,
&end
#
# 0 AMB 10-2:1266 51 ASP HN 4.50 (# 1266:10 Single Ambig)
&rst
ixpk= 1266, nxpk= 10, iat= -1, 780, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 796, 797, 758, 759,
&end
#
# 0 AMB 10-2:1267 51 ASP HN 5.50 (# 1267:10 Single Ambig)
&rst
ixpk= 1267, nxpk= 10, iat= -1, 780, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 796, 797, 724, 725,
&end
#
# 52 MET HG- 51 ASP HN 5.50 (# 1268:10 Unique 3.36, 4.55 A)
&rst
ixpk= 1268, nxpk= 10, iat= -1, 780, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 799, 800,
&end
#
# 53 ALA HN 51 ASP HN 4.50 (# 1269:10 Unique 3.34, 3.94 A)
&rst
ixpk= 1269, nxpk= 10, iat= 809, 780, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1270 99 ASP HN 5.50 (# 1270:10 Single Ambig)
&rst
ixpk= 1270, nxpk= 10, iat= -1,1528, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1546,1547,1548,1550,1551,1552,1546,1547,1548,1550,
1551,1552,
&end
#
# 0 AMB 10-2:1271 99 ASP HN 5.50 (# 1271:10 Single Ambig)
&rst
ixpk= 1271, nxpk= 10, iat= -1,1528, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1544, 714, 715, 716,
&end
#
# 52 MET ME 101 LEU HN 5.50 (# 1272:10 Unique 4.34, 5.82 A)
&rst
ixpk= 1272, nxpk= 10, iat= -1,1556, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 803, 804, 805,
&end
#
# 0 AMB 10-2:1273 101 LEU HN 5.50 (# 1273:10 Single Ambig)
&rst
ixpk= 1273, nxpk= 10, iat= -1,1556, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
igr1= 763, 764, 765, 767, 768, 769, 744, 745, 746, 748,
749, 750,1782,1783,1784,1786,1787,1788,1782,1783,
1784,1786,1787,1788,1482,1483,1484,1486,1487,1488,
&end
#
# 100 VAL HA 101 LEU HN 5.50 (# 1274:10 Unique 3.50, 3.52 A)
&rst
ixpk= 1274, nxpk= 10, iat=1542,1556, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 82 VAL MGX 78 ARG HN 4.50 (# 1275:10 Unique 4.40, 6.69 A)
&rst
ixpk= 1275, nxpk= 10, iat= -1,1200, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1272,1273,1274,1276,1277,1278,
&end
#
# 78 ARG HB+ 78 ARG HN 4.50 (# 1276:10 Unique 2.21, 2.88 A)
&rst
ixpk= 1276, nxpk= 10, iat= -1,1200, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1204,1205,
&end
#
# 81 GLU HG+ 78 ARG HN 5.50 (# 1277:10 Unique 1.87, 2.34 A)
&rst
ixpk= 1277, nxpk= 10, iat= -1,1200, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1258,1259,
&end
#
# 0 AMB 10-2:1278 78 ARG HN 5.50 (# 1278:10 Single Ambig)
&rst
ixpk= 1278, nxpk= 10, iat= -1,1200, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1210,1211,1210,1211,
&end
#
# 0 AMB 10-2:1279 78 ARG HN 5.50 (# 1279:10 Single Ambig)
&rst
ixpk= 1279, nxpk= 10, iat= -1,1200, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1253,1238,
&end
#
# 78 ARG HA 78 ARG HN 4.50 (# 1280:10 Unique 2.85, 2.88 A)
&rst
ixpk= 1280, nxpk= 10, iat=1202,1200, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 81 GLU HN 78 ARG HN 5.50 (# 1281:10 Unique 3.48, 3.56 A)
&rst
ixpk= 1281, nxpk= 10, iat=1251,1200, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1282 146 LEU HN 4.50 (# 1282:10 Single Ambig)
&rst
ixpk= 1282, nxpk= 10, iat= -1,2258, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 405, 406, 407, 409, 410, 411,2306,2307,2308,2310,
2311,2312,
&end
#
# 0 AMB 10-2:1284 146 LEU HN 5.50 (# 1284:10 Single Ambig)
&rst
ixpk= 1284, nxpk= 10, iat= -1,2258, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2281,2282,2283, 909,
&end
#
# 0 AMB 10-2:1286 146 LEU HN 5.50 (# 1286:10 Single Ambig)
&rst
ixpk= 1286, nxpk= 10, iat= -1,2258, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2229,2230,2214,2215,
&end
#
# 145 VAL HA 146 LEU HN 5.50 (# 1287:10 Unique 3.56, 3.56 A)
&rst
ixpk= 1287, nxpk= 10, iat=2244,2258, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 143 GLU HA 146 LEU HN 4.50 (# 1288:10 Unique 3.78, 3.82 A)
&rst
ixpk= 1288, nxpk= 10, iat=2212,2258, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1289 146 LEU HN 5.50 (# 1289:10 Single Ambig)
&rst
ixpk= 1289, nxpk= 10, iat= -1,2258, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2227,2183,
&end
#
# 144 GLN HN 146 LEU HN 5.50 (# 1290:10 Unique 4.15, 4.24 A)
&rst
ixpk= 1290, nxpk= 10, iat=2225,2258, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 148 ALA HN 146 LEU HN 5.50 (# 1291:10 Unique 4.27, 4.40 A)
&rst
ixpk= 1291, nxpk= 10, iat=2287,2258, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1292 131 THR HN 5.50 (# 1292:10 Single Ambig)
&rst
ixpk= 1292, nxpk= 10, iat= -1,2033, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=2023,2024,2025,2027,2028,2029, 283, 284, 285,
&end
#
# 130 LEU HB+ 131 THR HN 4.50 (# 1293:10 Unique 2.15, 3.39 A)
&rst
ixpk= 1293, nxpk= 10, iat= -1,2033, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2018,2019,
&end
#
# 0 AMB 10-2:1294 131 THR HN 5.50 (# 1294:10 Single Ambig)
&rst
ixpk= 1294, nxpk= 10, iat= -1,2033, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1901,1902,2021,
&end
#
# 134 VAL HB 131 THR HN 4.50 (# 1295:10 Unique 2.24, 2.59 A)
&rst
ixpk= 1295, nxpk= 10, iat=2079,2033, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1296 131 THR HN 5.50 (# 1296:10 Single Ambig)
&rst
ixpk= 1296, nxpk= 10, iat= -1,2033, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1916,1917,2009,2010,1975,1976,
&end
#
# 0 AMB 10-2:1297 131 THR HN 5.50 (# 1297:10 Single Ambig)
&rst
ixpk= 1297, nxpk= 10, iat= -1,2033, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=2048,2049,1916,1917,2063,
&end
#
# 0 AMB 10-2:1298 131 THR HN 5.50 (# 1298:10 Single Ambig)
&rst
ixpk= 1298, nxpk= 10, iat= -1,2033, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2048,2049,2065,
&end
#
# 131 THR HA 131 THR HN 3.50 (# 1299:10 Unique 2.73, 2.85 A)
&rst
ixpk= 1299, nxpk= 10, iat=2035,2033, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 15 ASP HA 131 THR HN 5.50 (# 1300:10 Unique 3.25, 3.70 A)
&rst
ixpk= 1300, nxpk= 10, iat= 235,2033, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 131 THR HG1 131 THR HN 4.50 (# 1301:10 Unique 1.92, 3.21 A)
&rst
ixpk= 1301, nxpk= 10, iat=2043,2033, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 134 VAL HN 131 THR HN 5.50 (# 1302:10 Unique 3.20, 3.61 A)
&rst
ixpk= 1302, nxpk= 10, iat=2075,2033, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 130 LEU HN 131 THR HN 5.50 (# 1303:10 Unique 4.43, 4.59 A)
&rst
ixpk= 1303, nxpk= 10, iat=2014,2033, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1304 13 LEU HN 5.50 (# 1304:10 Single Ambig)
&rst
ixpk= 1304, nxpk= 10, iat= -1, 200, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 172, 173, 172, 173,
&end
#
# 0 AMB 10-2:1305 13 LEU HN 5.50 (# 1305:10 Single Ambig)
&rst
ixpk= 1305, nxpk= 10, iat= -1, 200, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 166,1964,1965,
&end
#
# 16 GLU HB+ 13 LEU HN 5.50 (# 1306:10 Unique 2.48, 3.42 A)
&rst
ixpk= 1306, nxpk= 10, iat= -1, 200, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 249, 250,
&end
#
# 0 AMB 10-2:1307 13 LEU HN 4.50 (# 1307:10 Single Ambig)
&rst
ixpk= 1307, nxpk= 10, iat= -1, 200, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 249, 250, 252, 253,
&end
#
# 10 ASN HB+ 13 LEU HN 4.50 (# 1308:10 Unique 2.51, 4.45 A)
&rst
ixpk= 1308, nxpk= 10, iat= -1, 200, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 152, 153,
&end
#
# 0 AMB 10-2:1309 13 LEU HN 4.50 (# 1309:10 Single Ambig)
&rst
ixpk= 1309, nxpk= 10, iat= -1, 200, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 164, 262,
&end
#
# 12 LEU HA 13 LEU HN 4.50 (# 1310:10 Unique 3.07, 3.20 A)
&rst
ixpk= 1310, nxpk= 10, iat= 183, 200, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1311 13 LEU HN 5.50 (# 1311:10 Single Ambig)
&rst
ixpk= 1311, nxpk= 10, iat= -1, 200, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1990, 223,1973,
&end
#
# 10 ASN HA 13 LEU HN 5.50 (# 1312:10 Unique 4.38, 5.17 A)
&rst
ixpk= 1312, nxpk= 10, iat= 150, 200, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 ASN HD2- 13 LEU HN 5.50 (# 1313:10 Unique 2.10, 3.69 A)
&rst
ixpk= 1313, nxpk= 10, iat= -1, 200, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 157, 158,
&end
#
# 14 THR HN 13 LEU HN 4.50 (# 1314:10 Unique 2.29, 2.48 A)
&rst
ixpk= 1314, nxpk= 10, iat= 219, 200, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 104 LEU MDY 53 ALA HN 4.50 (# 1315:10 Unique 2.82, 4.61 A)
&rst
ixpk= 1315, nxpk= 10, iat= -1, 809, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1605,1606,1607,1609,1610,1611,
&end
#
# 0 AMB 10-2:1317 53 ALA HN 5.50 (# 1317:10 Single Ambig)
&rst
ixpk= 1317, nxpk= 10, iat= -1, 809, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 763, 764, 765, 767, 768, 769, 895, 896, 897, 899,
900, 901,
&end
#
# 0 AMB 10-2:1319 53 ALA HN 4.50 (# 1319:10 Single Ambig)
&rst
ixpk= 1319, nxpk= 10, iat= -1, 809, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 796, 797,1603,
&end
#
# 52 MET HG- 53 ALA HN 4.50 (# 1320:10 Unique 3.28, 4.69 A)
&rst
ixpk= 1320, nxpk= 10, iat= -1, 809, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 799, 800,
&end
#
# 0 AMB 10-2:1321 53 ALA HN 4.50 (# 1321:10 Single Ambig)
&rst
ixpk= 1321, nxpk= 10, iat= -1, 809, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 799, 800, 784, 785,
&end
#
# 0 AMB 10-2:1322 53 ALA HN 5.50 (# 1322:10 Single Ambig)
&rst
ixpk= 1322, nxpk= 10, iat= -1, 809, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 782, 737,
&end
#
# 0 AMB 10-2:1323 53 ALA HN 4.50 (# 1323:10 Single Ambig)
&rst
ixpk= 1323, nxpk= 10, iat= -1, 809, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 780, 828, 829,
&end
#
# 54 ASN HN 53 ALA HN 4.50 (# 1324:10 Unique 2.30, 2.76 A)
&rst
ixpk= 1324, nxpk= 10, iat= 819, 809, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 50 GLY HN 53 ALA HN 5.50 (# 1325:10 Unique 4.65, 5.09 A)
&rst
ixpk= 1325, nxpk= 10, iat= 773, 809, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1326 90 ILE HN 4.50 (# 1326:10 Single Ambig)
&rst
ixpk= 1326, nxpk= 10, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1401,1402,1403,1482,1483,1484,1486,1487,1488,
&end
#
# 90 ILE HG1- 90 ILE HN 4.50 (# 1327:10 Unique 2.47, 3.50 A)
&rst
ixpk= 1327, nxpk= 10, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1405,1406,
&end
#
# 0 AMB 10-2:1328 90 ILE HN 4.50 (# 1328:10 Single Ambig)
&rst
ixpk= 1328, nxpk= 10, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1380,1381,1405,1406,
&end
#
# 89 LYS HB- 90 ILE HN 5.50 (# 1329:10 Unique 1.91, 3.80 A)
&rst
ixpk= 1329, nxpk= 10, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1377,1378,
&end
#
# 0 AMB 10-2:1330 90 ILE HN 5.50 (# 1330:10 Single Ambig)
&rst
ixpk= 1330, nxpk= 10, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1383,1384,1477,1478,1477,1478,
&end
#
# 0 AMB 10-2:1331 90 ILE HN 5.50 (# 1331:10 Single Ambig)
&rst
ixpk= 1331, nxpk= 10, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1363,1364,1363,1364,
&end
#
# 90 ILE HA 90 ILE HN 4.50 (# 1332:10 Unique 2.28, 2.79 A)
&rst
ixpk= 1332, nxpk= 10, iat=1397,1395, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1333 112 LYS HN 5.50 (# 1333:10 Single Ambig)
&rst
ixpk= 1333, nxpk= 10, iat= -1,1729, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1719,1720, 840, 841,1755,1756,1758,1759,
&end
#
# 0 AMB 10-2:1334 112 LYS HN 5.50 (# 1334:10 Single Ambig)
&rst
ixpk= 1334, nxpk= 10, iat= -1,1729, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1716,1717, 28, 29,1777,1778,
&end
#
# 0 AMB 10-2:1335 112 LYS HN 5.50 (# 1335:10 Single Ambig)
&rst
ixpk= 1335, nxpk= 10, iat= -1,1729, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1742,1743,1716,1717, 873, 874,
&end
#
# 56 ASP HA 112 LYS HN 3.50 (# 1336:10 Unique 1.94, 2.36 A)
&rst
ixpk= 1336, nxpk= 10, iat= 859,1729, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 55 ARG HN 112 LYS HN 5.50 (# 1337:10 Unique 3.45, 4.50 A)
&rst
ixpk= 1337, nxpk= 10, iat= 833,1729, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1339 85 LEU HN 5.50 (# 1339:10 Single Ambig)
&rst
ixpk= 1339, nxpk= 10, iat= -1,1306, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1329,1330,1363,1364,1363,1364,
&end
#
# 86 PHE HE 85 LEU HN 5.50 (# 1340:10 Unique 5.55, 6.28 A)
&rst
ixpk= 1340, nxpk= 10, iat= -1,1306, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1335,1339,
&end
#
# 128 ILE MG2 130 LEU HN 5.50 (# 1341:10 Unique 4.19, 5.80 A)
&rst
ixpk= 1341, nxpk= 10, iat= -1,2014, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1994,1995,1996,
&end
#
# 0 AMB 10-2:1342 130 LEU HN 5.50 (# 1342:10 Single Ambig)
&rst
ixpk= 1342, nxpk= 10, iat= -1,2014, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2095,2096, 316, 317, 316, 317,
&end
#
# 135 GLU HB+ 130 LEU HN 5.50 (# 1343:10 Unique 4.36, 5.41 A)
&rst
ixpk= 1343, nxpk= 10, iat= -1,2014, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2095,2096,
&end
#
# 0 AMB 10-2:1344 130 LEU HN 5.50 (# 1344:10 Single Ambig)
&rst
ixpk= 1344, nxpk= 10, iat= -1,2014, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2098,2099,2079,
&end
#
# 21 ARG HE 130 LEU HN 5.50 (# 1345:10 Unique 3.57, 4.32 A)
&rst
ixpk= 1345, nxpk= 10, iat= 325,2014, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 129 GLY HN 130 LEU HN 4.50 (# 1346:10 Unique 2.72, 3.22 A)
&rst
ixpk= 1346, nxpk= 10, iat=2007,2014, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 131 THR HN 130 LEU HN 5.50 (# 1347:10 Unique 4.43, 4.59 A)
&rst
ixpk= 1347, nxpk= 10, iat=2033,2014, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1348 22 ILE HN 4.50 (# 1348:10 Single Ambig)
&rst
ixpk= 1348, nxpk= 10, iat= -1, 336, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 361, 362, 363, 365, 366, 367, 276, 277, 278,
&end
#
# 0 AMB 10-2:1349 22 ILE HN 4.50 (# 1349:10 Single Ambig)
&rst
ixpk= 1349, nxpk= 10, iat= -1, 336, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 947, 948, 949,2185,2186,2187,
&end
#
# 0 AMB 10-2:1350 22 ILE HN 5.50 (# 1350:10 Single Ambig)
&rst
ixpk= 1350, nxpk= 10, iat= -1, 336, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 375, 376, 378, 379, 359,
&end
#
# 0 AMB 10-2:1351 22 ILE HN 4.50 (# 1351:10 Single Ambig)
&rst
ixpk= 1351, nxpk= 10, iat= -1, 336, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 291, 292,2135,
&end
#
# 0 AMB 10-2:1352 22 ILE HN 5.50 (# 1352:10 Single Ambig)
&rst
ixpk= 1352, nxpk= 10, iat= -1, 336, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 272, 357,
&end
#
# 21 ARG HA 22 ILE HN 5.50 (# 1353:10 Unique 3.43, 3.45 A)
&rst
ixpk= 1353, nxpk= 10, iat= 314, 336, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 VAL HN 22 ILE HN 5.50 (# 1354:10 Unique 3.70, 3.93 A)
&rst
ixpk= 1354, nxpk= 10, iat= 296, 336, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1355 122 GLU HN 4.50 (# 1355:10 Single Ambig)
&rst
ixpk= 1355, nxpk= 10, iat= -1,1897, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2039,2040,2041, 225, 226, 227,
&end
#
# 121 PRO HB+ 122 GLU HN 4.50 (# 1356:10 Unique 1.94, 2.87 A)
&rst
ixpk= 1356, nxpk= 10, iat= -1,1897, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1890,1891,
&end
#
# 122 GLU HG- 122 GLU HN 4.50 (# 1357:10 Unique 3.49, 4.45 A)
&rst
ixpk= 1357, nxpk= 10, iat= -1,1897, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1904,1905,
&end
#
# 15 ASP HB- 122 GLU HN 4.50 (# 1358:10 Unique 2.51, 3.23 A)
&rst
ixpk= 1358, nxpk= 10, iat= -1,1897, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 237, 238,
&end
#
# 15 ASP HB+ 122 GLU HN 4.50 (# 1359:10 Unique 2.51, 3.23 A)
&rst
ixpk= 1359, nxpk= 10, iat= -1,1897, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 237, 238,
&end
#
# 0 AMB 10-2:1360 122 GLU HN 5.50 (# 1360:10 Single Ambig)
&rst
ixpk= 1360, nxpk= 10, iat= -1,1897, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1916,1917,2077,
&end
#
# 0 AMB 10-2:1361 122 GLU HN 5.50 (# 1361:10 Single Ambig)
&rst
ixpk= 1361, nxpk= 10, iat= -1,1897, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1916,1917,1884,1885,
&end
#
# 0 AMB 10-2:1362 122 GLU HN 5.50 (# 1362:10 Single Ambig)
&rst
ixpk= 1362, nxpk= 10, iat= -1,1897, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2065,2048,2049,
&end
#
# 131 THR HG1 122 GLU HN 5.50 (# 1363:10 Unique 2.91, 4.32 A)
&rst
ixpk= 1363, nxpk= 10, iat=2043,1897, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1365 129 GLY HN 4.50 (# 1365:10 Single Ambig)
&rst
ixpk= 1365, nxpk= 10, iat= -1,2007, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1998,1999, 209, 210, 211, 213, 214, 215,
&end
#
# 0 AMB 10-2:1366 129 GLY HN 4.50 (# 1366:10 Single Ambig)
&rst
ixpk= 1366, nxpk= 10, iat= -1,2007, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1992, 225, 226, 227,
&end
#
# 14 THR HA 129 GLY HN 4.50 (# 1367:10 Unique 1.86, 2.72 A)
&rst
ixpk= 1367, nxpk= 10, iat= 221,2007, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 ARG HE 129 GLY HN 5.50 (# 1368:10 Unique 3.91, 4.54 A)
&rst
ixpk= 1368, nxpk= 10, iat= 325,2007, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 128 ILE HN 129 GLY HN 5.50 (# 1369:10 Unique 3.00, 4.23 A)
&rst
ixpk= 1369, nxpk= 10, iat=1988,2007, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 130 LEU HN 129 GLY HN 5.50 (# 1370:10 Unique 2.72, 3.22 A)
&rst
ixpk= 1370, nxpk= 10, iat=2014,2007, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 THR HN 129 GLY HN 5.50 (# 1371:10 Unique 2.57, 4.07 A)
&rst
ixpk= 1371, nxpk= 10, iat= 219,2007, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1372 162 SER HN 5.50 (# 1372:10 Single Ambig)
&rst
ixpk= 1372, nxpk= 10, iat= -1,2494, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2486,2487,2486,2487,
&end
#
# 162 SER HA 162 SER HN 5.50 (# 1373:10 Unique 2.28, 2.78 A)
&rst
ixpk= 1373, nxpk= 10, iat=2496,2494, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 160 SER HA 162 SER HN 5.50 (# 1374:10 Unique 3.36, 4.78 A)
&rst
ixpk= 1374, nxpk= 10, iat=2473,2494, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 161 ASP HN 162 SER HN 5.50 (# 1375:10 Unique 1.96, 2.83 A)
&rst
ixpk= 1375, nxpk= 10, iat=2482,2494, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1376 134 VAL HN 5.50 (# 1376:10 Single Ambig)
&rst
ixpk= 1376, nxpk= 10, iat= -1,2075, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1= 283, 284, 285,2023,2024,2025,2027,2028,2029,1854,
1855,1856,1858,1859,1860,
&end
#
# 131 THR MG2 134 VAL HN 4.50 (# 1377:10 Unique 1.54, 4.51 A)
&rst
ixpk= 1377, nxpk= 10, iat= -1,2075, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2039,2040,2041,
&end
#
# 0 AMB 10-2:1378 134 VAL HN 5.50 (# 1378:10 Single Ambig)
&rst
ixpk= 1378, nxpk= 10, iat= -1,2075, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1901,1902,2021,
&end
#
# 0 AMB 10-2:1379 134 VAL HN 4.50 (# 1379:10 Single Ambig)
&rst
ixpk= 1379, nxpk= 10, iat= -1,2075, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2095,2096,1100,1101,
&end
#
# 0 AMB 10-2:1380 134 VAL HN 4.50 (# 1380:10 Single Ambig)
&rst
ixpk= 1380, nxpk= 10, iat= -1,2075, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2063,2093,
&end
#
# 132 PRO HA 134 VAL HN 5.50 (# 1381:10 Unique 4.20, 4.58 A)
&rst
ixpk= 1381, nxpk= 10, iat=2057,2075, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 131 THR HB 134 VAL HN 4.50 (# 1382:10 Unique 2.72, 3.70 A)
&rst
ixpk= 1382, nxpk= 10, iat=2037,2075, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 131 THR HG1 134 VAL HN 4.50 (# 1383:10 Unique 1.93, 2.82 A)
&rst
ixpk= 1383, nxpk= 10, iat=2043,2075, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1384 65 VAL HN 5.50 (# 1384:10 Single Ambig)
&rst
ixpk= 1384, nxpk= 10, iat= -1, 994, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70,
igr1=1870,1871,1872, 985, 986,1932,1933,1934,1936,1937,
1938,
&end
#
# 63 ALA MB 65 VAL HN 5.50 (# 1385:10 Unique 2.56, 3.92 A)
&rst
ixpk= 1385, nxpk= 10, iat= -1, 994, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 969, 970, 971,
&end
#
# 64 ILE HB 65 VAL HN 4.50 (# 1386:10 Unique 2.45, 2.82 A)
&rst
ixpk= 1386, nxpk= 10, iat= 979, 994, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 64 ILE HN 65 VAL HN 5.50 (# 1388:10 Unique 2.23, 2.47 A)
&rst
ixpk= 1388, nxpk= 10, iat= 975, 994, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1389 47 GLU HN 5.50 (# 1389:10 Single Ambig)
&rst
ixpk= 1389, nxpk= 10, iat= -1, 720, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 744, 745, 746, 748, 749, 750, 744, 745, 746, 748,
749, 750,
&end
#
# 0 AMB 10-2:1390 47 GLU HN 5.50 (# 1390:10 Single Ambig)
&rst
ixpk= 1390, nxpk= 10, iat= -1, 720, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1546,1547,1548,1550,1551,1552,1546,1547,1548,1550,
1551,1552,
&end
#
# 44 ALA MB 47 GLU HN 5.50 (# 1391:10 Unique 2.75, 3.93 A)
&rst
ixpk= 1391, nxpk= 10, iat= -1, 720, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 690, 691, 692,
&end
#
# 0 AMB 10-2:1392 47 GLU HN 5.50 (# 1392:10 Single Ambig)
&rst
ixpk= 1392, nxpk= 10, iat= -1, 720, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 761, 742,
&end
#
# 45 GLY HA- 47 GLU HN 5.50 (# 1393:10 Unique 3.62, 4.05 A)
&rst
ixpk= 1393, nxpk= 10, iat= -1, 720, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 698, 699,
&end
#
# 0 AMB 10-2:1394 47 GLU HN 5.50 (# 1394:10 Single Ambig)
&rst
ixpk= 1394, nxpk= 10, iat= -1, 720, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 698, 699,1494,1495,
&end
#
# 49 LEU HN 47 GLU HN 5.50 (# 1395:10 Unique 4.01, 4.18 A)
&rst
ixpk= 1395, nxpk= 10, iat= 754, 720, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 MET HN 47 GLU HN 4.50 (# 1396:10 Unique 2.16, 2.48 A)
&rst
ixpk= 1396, nxpk= 10, iat= 703, 720, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1397 154 VAL HN 4.50 (# 1397:10 Single Ambig)
&rst
ixpk= 1397, nxpk= 10, iat= -1,2373, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=2301,2302, 58, 59, 60,
&end
#
# 0 AMB 10-2:1398 154 VAL HN 5.50 (# 1398:10 Single Ambig)
&rst
ixpk= 1398, nxpk= 10, iat= -1,2373, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2323,2324, 8, 9,
&end
#
# 150 ARG HB- 154 VAL HN 5.50 (# 1399:10 Unique 4.59, 5.28 A)
&rst
ixpk= 1399, nxpk= 10, iat= -1,2373, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2320,2321,
&end
#
# 0 AMB 10-2:1400 154 VAL HN 4.50 (# 1400:10 Single Ambig)
&rst
ixpk= 1400, nxpk= 10, iat= -1,2373, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2301,2302,2320,2321,
&end
#
# 0 AMB 10-2:1401 154 VAL HN 5.50 (# 1401:10 Single Ambig)
&rst
ixpk= 1401, nxpk= 10, iat= -1,2373, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2359,2360,2391,
&end
#
# 152 SER HA 154 VAL HN 5.50 (# 1402:10 Unique 4.88, 5.06 A)
&rst
ixpk= 1402, nxpk= 10, iat=2357,2373, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 152 SER HN 154 VAL HN 4.50 (# 1403:10 Unique 3.42, 3.57 A)
&rst
ixpk= 1403, nxpk= 10, iat=2355,2373, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 153 GLY HN 154 VAL HN 2.80 (# 1404:10 Unique 1.79, 1.82 A)
&rst
ixpk= 1404, nxpk= 10, iat=2366,2373, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 150 ARG HN 154 VAL HN 5.50 (# 1405:10 Unique 4.13, 4.35 A)
&rst
ixpk= 1405, nxpk= 10, iat=2316,2373, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 155 GLU HN 154 VAL HN 5.50 (# 1406:10 Unique 3.77, 3.94 A)
&rst
ixpk= 1406, nxpk= 10, iat=2389,2373, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1407 31 ILE HN 5.50 (# 1407:10 Single Ambig)
&rst
ixpk= 1407, nxpk= 10, iat= -1, 492, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 520, 521, 522, 524, 525, 526, 405, 406, 407, 409,
410, 411,
&end
#
# 0 AMB 10-2:1408 31 ILE HN 4.50 (# 1408:10 Single Ambig)
&rst
ixpk= 1408, nxpk= 10, iat= -1, 492, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2451,2452,2454,2455,
&end
#
# 157 ILE HG1+ 31 ILE HN 5.50 (# 1409:10 Unique 4.32, 5.21 A)
&rst
ixpk= 1409, nxpk= 10, iat= -1, 492, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2424,2425,
&end
#
# 157 ILE HB 31 ILE HN 4.50 (# 1410:10 Unique 2.37, 2.66 A)
&rst
ixpk= 1410, nxpk= 10, iat=2418, 492, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 TYR HB+ 31 ILE HN 4.50 (# 1411:10 Unique 2.67, 3.50 A)
&rst
ixpk= 1411, nxpk= 10, iat= -1, 492, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 475, 476,
&end
#
# 0 AMB 10-2:1412 31 ILE HN 4.50 (# 1412:10 Single Ambig)
&rst
ixpk= 1412, nxpk= 10, iat= -1, 492, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2443,2406,
&end
#
# 0 AMB 10-2:1413 31 ILE HN 5.50 (# 1413:10 Single Ambig)
&rst
ixpk= 1413, nxpk= 10, iat= -1, 492, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2460, 481, 486,
&end
#
# 30 TYR HD 31 ILE HN 4.50 (# 1414:10 Unique 4.05, 5.03 A)
&rst
ixpk= 1414, nxpk= 10, iat= -1, 492, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 479, 488,
&end
#
# 159 ARG HN 31 ILE HN 4.50 (# 1415:10 Unique 2.32, 2.36 A)
&rst
ixpk= 1415, nxpk= 10, iat=2447, 492, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 157 ILE HN 31 ILE HN 4.50 (# 1416:10 Unique 3.50, 3.72 A)
&rst
ixpk= 1416, nxpk= 10, iat=2414, 492, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 32 LEU HN 31 ILE HN 5.50 (# 1417:10 Unique 4.17, 4.28 A)
&rst
ixpk= 1417, nxpk= 10, iat= 511, 492, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 78 ARG HB+ 80 GLU HN 5.50 (# 1418:10 Unique 2.52, 3.25 A)
&rst
ixpk= 1418, nxpk= 10, iat= -1,1236, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1204,1205,
&end
#
# 81 GLU HG+ 80 GLU HN 5.50 (# 1419:10 Unique 3.48, 4.32 A)
&rst
ixpk= 1419, nxpk= 10, iat= -1,1236, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1258,1259,
&end
#
# 82 VAL HN 80 GLU HN 5.50 (# 1422:10 Unique 4.02, 4.37 A)
&rst
ixpk= 1422, nxpk= 10, iat=1266,1236, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 ASP HN 80 GLU HN 5.50 (# 1423:10 Unique 2.76, 2.81 A)
&rst
ixpk= 1423, nxpk= 10, iat=1224,1236, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 LEU HB- 49 LEU HN 4.50 (# 1424:10 Unique 3.13, 3.99 A)
&rst
ixpk= 1424, nxpk= 10, iat= -1, 754, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 739, 740,
&end
#
# 0 AMB 10-2:1425 49 LEU HN 5.50 (# 1425:10 Single Ambig)
&rst
ixpk= 1425, nxpk= 10, iat= -1, 754, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 799, 800, 707, 708, 707, 708,
&end
#
# 0 AMB 10-2:1426 49 LEU HN 4.50 (# 1426:10 Single Ambig)
&rst
ixpk= 1426, nxpk= 10, iat= -1, 754, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1542, 775, 776,
&end
#
# 0 AMB 10-2:1427 49 LEU HN 5.50 (# 1427:10 Single Ambig)
&rst
ixpk= 1427, nxpk= 10, iat= -1, 754, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 792,1540,
&end
#
# 47 GLU HN 49 LEU HN 5.50 (# 1428:10 Unique 4.01, 4.18 A)
&rst
ixpk= 1428, nxpk= 10, iat= 720, 754, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1429 138 ILE HN 5.50 (# 1429:10 Single Ambig)
&rst
ixpk= 1429, nxpk= 10, iat= -1,2133, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2110,2111,2112, 390, 391, 392,
&end
#
# 0 AMB 10-2:1430 138 ILE HN 5.50 (# 1430:10 Single Ambig)
&rst
ixpk= 1430, nxpk= 10, iat= -1,2133, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2095,2096,1132,1133,
&end
#
# 137 MET HG- 138 ILE HN 5.50 (# 1431:10 Unique 3.75, 4.83 A)
&rst
ixpk= 1431, nxpk= 10, iat= -1,2133, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2123,2124,
&end
#
# 135 GLU HA 138 ILE HN 4.50 (# 1432:10 Unique 3.99, 4.18 A)
&rst
ixpk= 1432, nxpk= 10, iat=2093,2133, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 136 ALA HA 138 ILE HN 4.50 (# 1433:10 Unique 3.29, 3.39 A)
&rst
ixpk= 1433, nxpk= 10, iat=2108,2133, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 137 MET HA 138 ILE HN 4.50 (# 1434:10 Unique 3.37, 3.40 A)
&rst
ixpk= 1434, nxpk= 10, iat=2118,2133, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1435 151 GLU HN 5.50 (# 1435:10 Single Ambig)
&rst
ixpk= 1435, nxpk= 10, iat= -1,2340, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2379,2380,2381,2383,2384,2385,2306,2307,2308,2310,
2311,2312,2306,2307,2308,2310,2311,2312,
&end
#
# 0 AMB 10-2:1436 151 GLU HN 5.50 (# 1436:10 Single Ambig)
&rst
ixpk= 1436, nxpk= 10, iat= -1,2340, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2379,2380,2381,2383,2384,2385,1761,1762,
&end
#
# 149 LEU HB- 151 GLU HN 5.50 (# 1437:10 Unique 4.57, 4.83 A)
&rst
ixpk= 1437, nxpk= 10, iat= -1,2340, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2301,2302,
&end
#
# 148 ALA MB 151 GLU HN 4.50 (# 1438:10 Unique 5.35, 5.60 A)
&rst
ixpk= 1438, nxpk= 10, iat= -1,2340, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2291,2292,2293,
&end
#
# 150 ARG HG+ 151 GLU HN 5.50 (# 1439:10 Unique 2.35, 3.51 A)
&rst
ixpk= 1439, nxpk= 10, iat= -1,2340, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2323,2324,
&end
#
# 150 ARG HG- 151 GLU HN 5.50 (# 1440:10 Unique 2.35, 3.51 A)
&rst
ixpk= 1440, nxpk= 10, iat= -1,2340, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2323,2324,
&end
#
# 0 AMB 10-2:1441 151 GLU HN 5.50 (# 1441:10 Single Ambig)
&rst
ixpk= 1441, nxpk= 10, iat= -1,2340, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2299,2368,2369,
&end
#
# 152 SER HB- 151 GLU HN 5.50 (# 1442:10 Unique 4.09, 4.73 A)
&rst
ixpk= 1442, nxpk= 10, iat= -1,2340, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2359,2360,
&end
#
# 147 ALA HA 151 GLU HN 5.50 (# 1443:10 Unique 3.86, 4.21 A)
&rst
ixpk= 1443, nxpk= 10, iat=2279,2340, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 152 SER HA 151 GLU HN 5.50 (# 1444:10 Unique 4.79, 4.97 A)
&rst
ixpk= 1444, nxpk= 10, iat=2357,2340, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1445 142 LEU HN 4.50 (# 1445:10 Single Ambig)
&rst
ixpk= 1445, nxpk= 10, iat= -1,2191, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 349, 350, 351, 342, 343, 344,
&end
#
# 0 AMB 10-2:1446 142 LEU HN 4.50 (# 1446:10 Single Ambig)
&rst
ixpk= 1446, nxpk= 10, iat= -1,2191, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1=2214,2215,2171,2172,2229,2230,2127,2128,2129,2156,
2157,
&end
#
# 0 AMB 10-2:1447 142 LEU HN 4.50 (# 1447:10 Single Ambig)
&rst
ixpk= 1447, nxpk= 10, iat= -1,2191, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=2171,2172,2174,2175,2246,2159,2160,
&end
#
# 138 ILE HA 142 LEU HN 5.50 (# 1448:10 Unique 3.21, 3.31 A)
&rst
ixpk= 1448, nxpk= 10, iat=2135,2191, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 144 GLN HN 142 LEU HN 5.50 (# 1449:10 Unique 4.02, 4.08 A)
&rst
ixpk= 1449, nxpk= 10, iat=2225,2191, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1450 141 ALA HN 4.50 (# 1450:10 Single Ambig)
&rst
ixpk= 1450, nxpk= 10, iat= -1,2181, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 349, 350, 351,1854,1855,1856,1858,1859,1860,
&end
#
# 0 AMB 10-2:1451 141 ALA HN 4.50 (# 1451:10 Single Ambig)
&rst
ixpk= 1451, nxpk= 10, iat= -1,2181, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
igr1= 346, 347,1831,1832,1833,1835,1836,1837,2146,2147,
2148,2248,2249,2250,2252,2253,2254,2200,2201,2202,
2204,2205,2206,2200,2201,2202,2204,2205,2206,
&end
#
# 138 ILE HA 141 ALA HN 4.50 (# 1453:10 Unique 3.60, 3.72 A)
&rst
ixpk= 1453, nxpk= 10, iat=2135,2181, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 140 PRO HD- 141 ALA HN 4.50 (# 1454:10 Unique 2.67, 3.27 A)
&rst
ixpk= 1454, nxpk= 10, iat= -1,2181, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2168,2169,
&end
#
# 140 PRO HA 141 ALA HN 4.50 (# 1455:10 Unique 3.55, 3.56 A)
&rst
ixpk= 1455, nxpk= 10, iat=2177,2181, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 137 MET HA 141 ALA HN 5.50 (# 1456:10 Unique 3.45, 3.74 A)
&rst
ixpk= 1456, nxpk= 10, iat=2118,2181, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1457 141 ALA HN 5.50 (# 1457:10 Single Ambig)
&rst
ixpk= 1457, nxpk= 10, iat= -1,2181, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2133,2225,
&end
#
# 0 AMB 10-2:1458 24 GLU HN 4.50 (# 1458:10 Single Ambig)
&rst
ixpk= 1458, nxpk= 10, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 302, 303, 304, 306, 307, 308, 302, 303, 304, 306,
307, 308, 614, 615, 616,
&end
#
# 0 AMB 10-2:1459 24 GLU HN 5.50 (# 1459:10 Single Ambig)
&rst
ixpk= 1459, nxpk= 10, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 400, 401, 947, 948, 949,
&end
#
# 0 AMB 10-2:1460 24 GLU HN 4.50 (# 1460:10 Single Ambig)
&rst
ixpk= 1460, nxpk= 10, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 390, 391, 392, 618, 619,
&end
#
# 26 LEU HB+ 24 GLU HN 5.50 (# 1461:10 Unique 4.53, 5.10 A)
&rst
ixpk= 1461, nxpk= 10, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 400, 401,
&end
#
# 7 GLY HA- 24 GLU HN 5.50 (# 1462:10 Unique 5.03, 5.86 A)
&rst
ixpk= 1462, nxpk= 10, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 120, 121,
&end
#
# 23 VAL HA 24 GLU HN 4.50 (# 1463:10 Unique 3.50, 3.51 A)
&rst
ixpk= 1463, nxpk= 10, iat= 357, 371, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1464 24 GLU HN 4.50 (# 1464:10 Single Ambig)
&rst
ixpk= 1464, nxpk= 10, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 396, 312,
&end
#
# 22 ILE HN 24 GLU HN 5.50 (# 1465:10 Unique 3.78, 3.81 A)
&rst
ixpk= 1465, nxpk= 10, iat= 336, 371, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 MET HG+ 76 ILE HN 4.50 (# 1466:10 Unique 2.54, 3.83 A)
&rst
ixpk= 1466, nxpk= 10, iat= -1,1162, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1152,1153,
&end
#
# 75 MET HG- 76 ILE HN 4.50 (# 1467:10 Unique 2.54, 3.83 A)
&rst
ixpk= 1467, nxpk= 10, iat= -1,1162, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1152,1153,
&end
#
# 77 LEU HN 76 ILE HN 5.50 (# 1468:10 Unique 4.17, 4.45 A)
&rst
ixpk= 1468, nxpk= 10, iat=1181,1162, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 MET HN 76 ILE HN 5.50 (# 1469:10 Unique 4.09, 4.32 A)
&rst
ixpk= 1469, nxpk= 10, iat=1145,1162, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 ALA MB 16 GLU HN 5.50 (# 1470:10 Unique 4.59, 5.50 A)
&rst
ixpk= 1470, nxpk= 10, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 969, 970, 971,
&end
#
# 0 AMB 10-2:1471 16 GLU HN 5.50 (# 1471:10 Single Ambig)
&rst
ixpk= 1471, nxpk= 10, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1890,1891,1927,1928,
&end
#
# 15 ASP HB- 16 GLU HN 5.50 (# 1472:10 Unique 2.27, 3.30 A)
&rst
ixpk= 1472, nxpk= 10, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 237, 238,
&end
#
# 15 ASP HB+ 16 GLU HN 5.50 (# 1473:10 Unique 2.27, 3.30 A)
&rst
ixpk= 1473, nxpk= 10, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 237, 238,
&end
#
# 14 THR HB 16 GLU HN 4.50 (# 1474:10 Unique 3.29, 3.94 A)
&rst
ixpk= 1474, nxpk= 10, iat= 223, 245, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 15 ASP HA 16 GLU HN 4.50 (# 1475:10 Unique 3.39, 3.53 A)
&rst
ixpk= 1475, nxpk= 10, iat= 235, 245, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 18 ILE HN 16 GLU HN 5.50 (# 1476:10 Unique 4.05, 4.16 A)
&rst
ixpk= 1476, nxpk= 10, iat= 270, 245, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 146 LEU MDX 147 ALA HN 5.50 (# 1478:10 Unique 4.38, 5.53 A)
&rst
ixpk= 1478, nxpk= 10, iat= -1,2277, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2267,2268,2269,2271,2272,2273,
&end
#
# 146 LEU HG 147 ALA HN 4.50 (# 1479:10 Unique 3.68, 4.19 A)
&rst
ixpk= 1479, nxpk= 10, iat=2265,2277, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1480 147 ALA HN 5.50 (# 1480:10 Single Ambig)
&rst
ixpk= 1480, nxpk= 10, iat= -1,2277, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2214,2215,2229,2230,2344,2345,
&end
#
# 146 LEU HA 147 ALA HN 4.50 (# 1481:10 Unique 3.53, 3.54 A)
&rst
ixpk= 1481, nxpk= 10, iat=2260,2277, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 143 GLU HA 147 ALA HN 5.50 (# 1482:10 Unique 4.00, 4.13 A)
&rst
ixpk= 1482, nxpk= 10, iat=2212,2277, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 144 GLN HN 147 ALA HN 5.50 (# 1483:10 Unique 4.61, 4.68 A)
&rst
ixpk= 1483, nxpk= 10, iat=2225,2277, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 145 VAL HN 147 ALA HN 5.50 (# 1484:10 Unique 4.17, 4.22 A)
&rst
ixpk= 1484, nxpk= 10, iat=2242,2277, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1485 100 VAL HN 5.50 (# 1485:10 Single Ambig)
&rst
ixpk= 1485, nxpk= 10, iat= -1,1540, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1508,1509,1510,1512,1513,1514,1508,1509,1510,1512,
1513,1514,
&end
#
# 101 LEU MDY 100 VAL HN 5.50 (# 1486:10 Unique 4.28, 6.41 A)
&rst
ixpk= 1486, nxpk= 10, iat= -1,1540, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1565,1566,1567,1569,1570,1571,
&end
#
# 0 AMB 10-2:1487 100 VAL HN 5.50 (# 1487:10 Single Ambig)
&rst
ixpk= 1487, nxpk= 10, iat= -1,1540, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 763, 764, 765, 767, 768, 769,1482,1483,1484,1486,
1487,1488, 744, 745, 746, 748, 749, 750,
&end
#
# 0 AMB 10-2:1488 100 VAL HN 5.50 (# 1488:10 Single Ambig)
&rst
ixpk= 1488, nxpk= 10, iat= -1,1540, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1560,1561,1506,
&end
#
# 0 AMB 10-2:1489 100 VAL HN 5.50 (# 1489:10 Single Ambig)
&rst
ixpk= 1489, nxpk= 10, iat= -1,1540, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 758, 759,1563,
&end
#
# 46 MET HA 100 VAL HN 5.50 (# 1490:10 Unique 3.22, 3.51 A)
&rst
ixpk= 1490, nxpk= 10, iat= 705,1540, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 99 ASP HA 100 VAL HN 4.50 (# 1491:10 Unique 3.47, 3.50 A)
&rst
ixpk= 1491, nxpk= 10, iat=1530,1540, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 161 ASP HB- 161 ASP HN 4.50 (# 1492:10 Unique 2.39, 3.05 A)
&rst
ixpk= 1492, nxpk= 10, iat= -1,2482, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2486,2487,
&end
#
# 0 AMB 10-2:1493 161 ASP HN 5.50 (# 1493:10 Single Ambig)
&rst
ixpk= 1493, nxpk= 10, iat= -1,2482, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2475,2476,2475,2476,
&end
#
# 161 ASP HA 161 ASP HN 3.50 (# 1494:10 Unique 2.93, 2.94 A)
&rst
ixpk= 1494, nxpk= 10, iat=2484,2482, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 162 SER HN 161 ASP HN 5.50 (# 1495:10 Unique 1.96, 2.83 A)
&rst
ixpk= 1495, nxpk= 10, iat=2494,2482, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1496 157 ILE HN 4.50 (# 1496:10 Single Ambig)
&rst
ixpk= 1496, nxpk= 10, iat= -1,2414, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 520, 521, 522, 524, 525, 526, 405, 406, 407, 409,
410, 411,
&end
#
# 157 ILE HG1- 157 ILE HN 4.50 (# 1497:10 Unique 1.97, 3.00 A)
&rst
ixpk= 1497, nxpk= 10, iat= -1,2414, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2424,2425,
&end
#
# 30 TYR HB- 157 ILE HN 5.50 (# 1498:10 Unique 3.00, 3.90 A)
&rst
ixpk= 1498, nxpk= 10, iat= -1,2414, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 475, 476,
&end
#
# 30 TYR HB+ 157 ILE HN 5.50 (# 1499:10 Unique 3.00, 3.90 A)
&rst
ixpk= 1499, nxpk= 10, iat= -1,2414, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 475, 476,
&end
#
# 0 AMB 10-2:1500 157 ILE HN 5.50 (# 1500:10 Single Ambig)
&rst
ixpk= 1500, nxpk= 10, iat= -1,2414, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 531, 532,2434,2435,2475,2476,
&end
#
# 157 ILE HA 157 ILE HN 5.50 (# 1501:10 Unique 2.89, 2.91 A)
&rst
ixpk= 1501, nxpk= 10, iat=2416,2414, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 TYR HA 157 ILE HN 5.50 (# 1502:10 Unique 4.61, 4.77 A)
&rst
ixpk= 1502, nxpk= 10, iat= 473,2414, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 130 LEU HB+ 135 GLU HN 4.50 (# 1503:10 Unique 2.58, 3.41 A)
&rst
ixpk= 1503, nxpk= 10, iat= -1,2091, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2018,2019,
&end
#
# 130 LEU HG 135 GLU HN 5.50 (# 1504:10 Unique 3.33, 4.60 A)
&rst
ixpk= 1504, nxpk= 10, iat=2021,2091, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 134 VAL HA 135 GLU HN 5.50 (# 1505:10 Unique 3.45, 3.49 A)
&rst
ixpk= 1505, nxpk= 10, iat=2077,2091, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1506 135 GLU HN 5.50 (# 1506:10 Single Ambig)
&rst
ixpk= 1506, nxpk= 10, iat= -1,2091, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2065,2048,2049,
&end
#
# 132 PRO HA 135 GLU HN 4.50 (# 1507:10 Unique 3.35, 4.18 A)
&rst
ixpk= 1507, nxpk= 10, iat=2057,2091, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 133 THR HN 135 GLU HN 5.50 (# 1508:10 Unique 2.60, 3.15 A)
&rst
ixpk= 1508, nxpk= 10, iat=2061,2091, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 137 MET HN 135 GLU HN 5.50 (# 1509:10 Unique 4.06, 4.09 A)
&rst
ixpk= 1509, nxpk= 10, iat=2116,2091, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 131 THR HN 135 GLU HN 5.50 (# 1510:10 Unique 2.72, 3.44 A)
&rst
ixpk= 1510, nxpk= 10, iat=2033,2091, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1511 38 ILE HN 3.50 (# 1511:10 Single Ambig)
&rst
ixpk= 1511, nxpk= 10, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 89, 90, 91, 93, 94, 95, 583, 584, 585, 587,
588, 589, 405, 406, 407, 409, 410, 411,
&end
#
# 0 AMB 10-2:1512 38 ILE HN 4.50 (# 1512:10 Single Ambig)
&rst
ixpk= 1512, nxpk= 10, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 600, 601, 419, 420,
&end
#
# 37 GLU HG- 38 ILE HN 4.50 (# 1513:10 Unique 2.78, 4.57 A)
&rst
ixpk= 1513, nxpk= 10, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 600, 601,
&end
#
# 39 LEU HB- 38 ILE HN 5.50 (# 1514:10 Unique 5.46, 6.17 A)
&rst
ixpk= 1514, nxpk= 10, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 631, 632,
&end
#
# 39 LEU HN 38 ILE HN 5.50 (# 1515:10 Unique 4.27, 4.37 A)
&rst
ixpk= 1515, nxpk= 10, iat= 627, 608, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1516 46 MET HN 4.50 (# 1516:10 Single Ambig)
&rst
ixpk= 1516, nxpk= 10, iat= -1, 703, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1546,1547,1548,1550,1551,1552,1546,1547,1548,1550,
1551,1552,
&end
#
# 46 MET HG+ 46 MET HN 4.50 (# 1517:10 Unique 2.42, 3.45 A)
&rst
ixpk= 1517, nxpk= 10, iat= -1, 703, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 710, 711,
&end
#
# 45 GLY HN 46 MET HN 4.50 (# 1518:10 Unique 2.93, 3.85 A)
&rst
ixpk= 1518, nxpk= 10, iat= 696, 703, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1519 75 MET HN 4.50 (# 1519:10 Single Ambig)
&rst
ixpk= 1519, nxpk= 10, iat= -1,1145, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1854,1855,1856,1858,1859,1860,1190,1191,1192,1194,
1195,1196,1190,1191,1192,1194,1195,1196,1815,1816,
1817,1819,1820,1821,
&end
#
# 73 THR MG2 75 MET HN 5.50 (# 1520:10 Unique 4.35, 5.19 A)
&rst
ixpk= 1520, nxpk= 10, iat= -1,1145, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1120,1121,1122,
&end
#
# 0 AMB 10-2:1521 75 MET HN 5.50 (# 1521:10 Single Ambig)
&rst
ixpk= 1521, nxpk= 10, iat= -1,1145, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=1874,1875,1874,1875,1172,1173,1172,1173, 985, 986,
&end
#
# 74 MET HB- 75 MET HN 4.50 (# 1522:10 Unique 3.65, 3.99 A)
&rst
ixpk= 1522, nxpk= 10, iat= -1,1145, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1132,1133,
&end
#
# 118 GLY HA- 75 MET HN 5.50 (# 1523:10 Unique 3.79, 4.36 A)
&rst
ixpk= 1523, nxpk= 10, iat= -1,1145, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1843,1844,
&end
#
# 117 VAL HA 75 MET HN 5.50 (# 1524:10 Unique 4.00, 4.30 A)
&rst
ixpk= 1524, nxpk= 10, iat=1827,1145, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 ILE HN 75 MET HN 5.50 (# 1525:10 Unique 4.09, 4.32 A)
&rst
ixpk= 1525, nxpk= 10, iat=1162,1145, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1526 145 VAL HN 4.50 (# 1526:10 Single Ambig)
&rst
ixpk= 1526, nxpk= 10, iat= -1,2242, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 405, 406, 407, 409, 410, 411, 342, 343, 344, 349,
350, 351,2306,2307,2308,2310,2311,2312,
&end
#
# 146 LEU HB- 145 VAL HN 5.50 (# 1527:10 Unique 5.01, 5.77 A)
&rst
ixpk= 1527, nxpk= 10, iat= -1,2242, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2262,2263,
&end
#
# 0 AMB 10-2:1528 145 VAL HN 5.50 (# 1528:10 Single Ambig)
&rst
ixpk= 1528, nxpk= 10, iat= -1,2242, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=2291,2292,2293, 909, 403,
&end
#
# 0 AMB 10-2:1529 145 VAL HN 5.50 (# 1529:10 Single Ambig)
&rst
ixpk= 1529, nxpk= 10, iat= -1,2242, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=2262,2263,2174,2175, 340,
&end
#
# 0 AMB 10-2:1530 145 VAL HN 5.50 (# 1530:10 Single Ambig)
&rst
ixpk= 1530, nxpk= 10, iat= -1,2242, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1139,1140,1141,1829,
&end
#
# 144 GLN HG+ 145 VAL HN 5.50 (# 1531:10 Unique 2.32, 4.24 A)
&rst
ixpk= 1531, nxpk= 10, iat= -1,2242, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2232,2233,
&end
#
# 0 AMB 10-2:1532 145 VAL HN 4.50 (# 1532:10 Single Ambig)
&rst
ixpk= 1532, nxpk= 10, iat= -1,2242, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2227,2183,
&end
#
# 147 ALA HN 145 VAL HN 4.50 (# 1533:10 Unique 4.17, 4.22 A)
&rst
ixpk= 1533, nxpk= 10, iat=2277,2242, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1534 115 THR HN 5.50 (# 1534:10 Single Ambig)
&rst
ixpk= 1534, nxpk= 10, iat= -1,1792, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1272,1273,1274,1276,1277,1278,1815,1816,1817,1819,
1820,1821,1565,1566,1567,1569,1570,1571, 108, 109,
110, 112, 113, 114,
&end
#
# 0 AMB 10-2:1535 115 THR HN 5.50 (# 1535:10 Single Ambig)
&rst
ixpk= 1535, nxpk= 10, iat= -1,1792, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 890, 891,1798,1799,1800,
&end
#
# 0 AMB 10-2:1536 115 THR HN 4.50 (# 1536:10 Single Ambig)
&rst
ixpk= 1536, nxpk= 10, iat= -1,1792, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1777,1778,1758,1759,1719,1720,1755,1756,
&end
#
# 0 AMB 10-2:1537 115 THR HN 5.50 (# 1537:10 Single Ambig)
&rst
ixpk= 1537, nxpk= 10, iat= -1,1792, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1780, 893, 928,
&end
#
# 0 AMB 10-2:1538 115 THR HN 5.50 (# 1538:10 Single Ambig)
&rst
ixpk= 1538, nxpk= 10, iat= -1,1792, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1777,1778,1716,1717,
&end
#
# 115 THR HB 115 THR HN 3.50 (# 1539:10 Unique 3.08, 3.12 A)
&rst
ixpk= 1539, nxpk= 10, iat=1796,1792, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 115 THR HA 115 THR HN 4.50 (# 1540:10 Unique 2.94, 2.95 A)
&rst
ixpk= 1540, nxpk= 10, iat=1794,1792, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 59 ILE HA 115 THR HN 4.50 (# 1541:10 Unique 2.75, 2.91 A)
&rst
ixpk= 1541, nxpk= 10, iat= 907,1792, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1542 115 THR HN 5.50 (# 1542:10 Single Ambig)
&rst
ixpk= 1542, nxpk= 10, iat= -1,1792, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1808, 871,
&end
#
# 115 THR HG1 115 THR HN 4.50 (# 1543:10 Unique 1.94, 2.09 A)
&rst
ixpk= 1543, nxpk= 10, iat=1802,1792, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 58 LEU HN 115 THR HN 5.50 (# 1544:10 Unique 3.52, 3.66 A)
&rst
ixpk= 1544, nxpk= 10, iat= 886,1792, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 116 LEU HN 115 THR HN 5.50 (# 1545:10 Unique 4.06, 4.41 A)
&rst
ixpk= 1545, nxpk= 10, iat=1806,1792, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 127 HIS HB- 128 ILE HN 5.50 (# 1546:10 Unique 1.94, 3.66 A)
&rst
ixpk= 1546, nxpk= 10, iat= -1,1988, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1975,1976,
&end
#
# 127 HIS HB+ 128 ILE HN 4.50 (# 1547:10 Unique 1.94, 3.66 A)
&rst
ixpk= 1547, nxpk= 10, iat= -1,1988, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1975,1976,
&end
#
# 0 AMB 10-2:1548 128 ILE HN 5.50 (# 1548:10 Single Ambig)
&rst
ixpk= 1548, nxpk= 10, iat= -1,1988, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1967, 202,
&end
#
# 127 HIS HN 128 ILE HN 5.50 (# 1550:10 Unique 1.65, 3.15 A)
&rst
ixpk= 1550, nxpk= 10, iat=1971,1988, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 129 GLY HN 128 ILE HN 5.50 (# 1551:10 Unique 3.00, 4.23 A)
&rst
ixpk= 1551, nxpk= 10, iat=2007,1988, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 LEU MDX 36 VAL HN 5.50 (# 1552:10 Unique 6.08, 7.57 A)
&rst
ixpk= 1552, nxpk= 10, iat= -1, 577, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 520, 521, 522, 524, 525, 526,
&end
#
# 33 PRO HB- 36 VAL HN 4.50 (# 1553:10 Unique 3.21, 4.01 A)
&rst
ixpk= 1553, nxpk= 10, iat= -1, 577, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 537, 538,
&end
#
# 32 LEU HB- 36 VAL HN 5.50 (# 1554:10 Unique 4.28, 4.89 A)
&rst
ixpk= 1554, nxpk= 10, iat= -1, 577, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 515, 516,
&end
#
# 33 PRO HG+ 36 VAL HN 5.50 (# 1555:10 Unique 2.25, 3.25 A)
&rst
ixpk= 1555, nxpk= 10, iat= -1, 577, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 534, 535,
&end
#
# 0 AMB 10-2:1556 36 VAL HN 5.50 (# 1556:10 Single Ambig)
&rst
ixpk= 1556, nxpk= 10, iat= -1, 577, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 515, 516, 55, 56,
&end
#
# 3 ILE HB 36 VAL HN 5.50 (# 1557:10 Unique 4.19, 4.28 A)
&rst
ixpk= 1557, nxpk= 10, iat= 49, 577, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 PRO HB+ 36 VAL HN 5.50 (# 1558:10 Unique 3.21, 4.01 A)
&rst
ixpk= 1558, nxpk= 10, iat= -1, 577, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 537, 538,
&end
#
# 0 AMB 10-2:1559 36 VAL HN 3.50 (# 1559:10 Single Ambig)
&rst
ixpk= 1559, nxpk= 10, iat= -1, 577, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 560, 561, 548, 549,
&end
#
# 33 PRO HD+ 36 VAL HN 5.50 (# 1560:10 Unique 3.86, 4.51 A)
&rst
ixpk= 1560, nxpk= 10, iat= -1, 577, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 531, 532,
&end
#
# 33 PRO HD- 36 VAL HN 5.50 (# 1561:10 Unique 3.86, 4.51 A)
&rst
ixpk= 1561, nxpk= 10, iat= -1, 577, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 531, 532,
&end
#
# 35 TYR HB+ 36 VAL HN 4.50 (# 1562:10 Unique 3.58, 4.03 A)
&rst
ixpk= 1562, nxpk= 10, iat= -1, 577, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 560, 561,
&end
#
# 0 AMB 10-2:1563 36 VAL HN 4.50 (# 1563:10 Single Ambig)
&rst
ixpk= 1563, nxpk= 10, iat= -1, 577, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 593, 45,
&end
#
# 34 ASP HN 36 VAL HN 5.50 (# 1564:10 Unique 3.66, 3.70 A)
&rst
ixpk= 1564, nxpk= 10, iat= 544, 577, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 THR MG2 44 ALA HN 4.50 (# 1565:10 Unique 4.37, 5.22 A)
&rst
ixpk= 1565, nxpk= 10, iat= -1, 686, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 678, 679, 680,
&end
#
# 41 GLY HA- 44 ALA HN 5.50 (# 1566:10 Unique 3.59, 4.55 A)
&rst
ixpk= 1566, nxpk= 10, iat= -1, 686, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 660, 661,
&end
#
# 0 AMB 10-2:1567 44 ALA HN 4.50 (# 1567:10 Single Ambig)
&rst
ixpk= 1567, nxpk= 10, iat= -1, 686, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 667, 668, 698, 699,
&end
#
# 0 AMB 10-2:1568 44 ALA HN 4.50 (# 1568:10 Single Ambig)
&rst
ixpk= 1568, nxpk= 10, iat= -1, 686, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 150, 676, 143, 144,
&end
#
# 36 VAL MGY 3 ILE HN 4.50 (# 1569:10 Unique 3.52, 5.27 A)
&rst
ixpk= 1569, nxpk= 10, iat= -1, 45, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 583, 584, 585, 587, 588, 589,
&end
#
# 0 AMB 10-2:1570 3 ILE HN 4.50 (# 1570:10 Single Ambig)
&rst
ixpk= 1570, nxpk= 10, iat= -1, 45, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 73, 74, 75, 77, 78, 79, 51, 52, 53,
&end
#
# 3 ILE MD1 3 ILE HN 4.50 (# 1571:10 Unique 3.07, 4.08 A)
&rst
ixpk= 1571, nxpk= 10, iat= -1, 45, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 58, 59, 60,
&end
#
# 3 ILE HG1+ 3 ILE HN 4.50 (# 1572:10 Unique 3.34, 4.16 A)
&rst
ixpk= 1572, nxpk= 10, iat= -1, 45, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 55, 56,
&end
#
# 2 ARG HB- 3 ILE HN 4.50 (# 1573:10 Unique 2.98, 3.51 A)
&rst
ixpk= 1573, nxpk= 10, iat= -1, 45, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 25, 26,
&end
#
# 35 TYR HB- 3 ILE HN 5.50 (# 1574:10 Unique 2.82, 3.82 A)
&rst
ixpk= 1574, nxpk= 10, iat= -1, 45, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 560, 561,
&end
#
# 35 TYR HB+ 3 ILE HN 5.50 (# 1575:10 Unique 2.82, 3.82 A)
&rst
ixpk= 1575, nxpk= 10, iat= -1, 45, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 560, 561,
&end
#
# 36 VAL HA 3 ILE HN 4.50 (# 1576:10 Unique 2.96, 3.10 A)
&rst
ixpk= 1576, nxpk= 10, iat= 579, 45, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 35 TYR HD 3 ILE HN 4.50 (# 1577:10 Unique 3.38, 5.14 A)
&rst
ixpk= 1577, nxpk= 10, iat= -1, 45, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 564, 573,
&end
#
# 104 LEU MDY 110 PHE HN 5.50 (# 1579:10 Unique 2.88, 5.60 A)
&rst
ixpk= 1579, nxpk= 10, iat= -1,1695, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1605,1606,1607,1609,1610,1611,
&end
#
# 104 LEU MDX 110 PHE HN 5.50 (# 1580:10 Unique 2.88, 5.60 A)
&rst
ixpk= 1580, nxpk= 10, iat= -1,1695, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1605,1606,1607,1609,1610,1611,
&end
#
# 104 LEU HB- 110 PHE HN 5.50 (# 1581:10 Unique 3.75, 5.24 A)
&rst
ixpk= 1581, nxpk= 10, iat= -1,1695, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1600,1601,
&end
#
# 0 AMB 10-2:1582 110 PHE HN 5.50 (# 1582:10 Single Ambig)
&rst
ixpk= 1582, nxpk= 10, iat= -1,1695, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1665,1666,1667, 813, 814, 815,1622,1623,
&end
#
# 109 GLU HB- 110 PHE HN 5.50 (# 1583:10 Unique 3.09, 3.66 A)
&rst
ixpk= 1583, nxpk= 10, iat= -1,1695, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1684,1685,
&end
#
# 0 AMB 10-2:1584 110 PHE HN 5.50 (# 1584:10 Single Ambig)
&rst
ixpk= 1584, nxpk= 10, iat= -1,1695, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1716,1717,1619,1620,
&end
#
# 0 AMB 10-2:1586 103 ALA HN 4.50 (# 1586:10 Single Ambig)
&rst
ixpk= 1586, nxpk= 10, iat= -1,1586, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 763, 764, 765, 767, 768, 769,1546,1547,1548,1550,
1551,1552,1546,1547,1548,1550,1551,1552,
&end
#
# 0 AMB 10-2:1587 103 ALA HN 4.50 (# 1587:10 Single Ambig)
&rst
ixpk= 1587, nxpk= 10, iat= -1,1586, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 714, 715, 716,1544,1603,
&end
#
# 100 VAL HA 103 ALA HN 4.50 (# 1588:10 Unique 3.48, 3.59 A)
&rst
ixpk= 1588, nxpk= 10, iat=1542,1586, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 99 ASP HA 103 ALA HN 5.50 (# 1589:10 Unique 3.64, 4.28 A)
&rst
ixpk= 1589, nxpk= 10, iat=1530,1586, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1590 74 MET HN 5.50 (# 1590:10 Single Ambig)
&rst
ixpk= 1590, nxpk= 10, iat= -1,1128, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1=1831,1832,1833,1835,1836,1837,1854,1855,1856,1858,
1859,1860,1877,1878,1879,
&end
#
# 0 AMB 10-2:1591 74 MET HN 5.50 (# 1591:10 Single Ambig)
&rst
ixpk= 1591, nxpk= 10, iat= -1,1128, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1139,1140,1141,1149,1150,
&end
#
# 0 AMB 10-2:1592 74 MET HN 4.50 (# 1592:10 Single Ambig)
&rst
ixpk= 1592, nxpk= 10, iat= -1,1128, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1135,1136,2120,2121,2120,2121,
&end
#
# 0 AMB 10-2:1593 74 MET HN 5.50 (# 1593:10 Single Ambig)
&rst
ixpk= 1593, nxpk= 10, iat= -1,1128, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1135,1136,2171,2172,
&end
#
# 73 THR HN 74 MET HN 4.50 (# 1594:10 Unique 4.34, 4.43 A)
&rst
ixpk= 1594, nxpk= 10, iat=1114,1128, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1595 15 ASP HN 5.50 (# 1595:10 Single Ambig)
&rst
ixpk= 1595, nxpk= 10, iat= -1, 233, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1890,1891,1901,1902,2021,
&end
#
# 0 AMB 10-2:1596 15 ASP HN 5.50 (# 1596:10 Single Ambig)
&rst
ixpk= 1596, nxpk= 10, iat= -1, 233, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1890,1891,1946,1947,1927,1928,
&end
#
# 0 AMB 10-2:1597 15 ASP HN 5.50 (# 1597:10 Single Ambig)
&rst
ixpk= 1597, nxpk= 10, iat= -1, 233, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1949,1950, 249, 250,2079,
&end
#
# 15 ASP HB- 15 ASP HN 4.50 (# 1598:10 Unique 2.64, 3.18 A)
&rst
ixpk= 1598, nxpk= 10, iat= -1, 233, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 237, 238,
&end
#
# 0 AMB 10-2:1599 15 ASP HN 5.50 (# 1599:10 Single Ambig)
&rst
ixpk= 1599, nxpk= 10, iat= -1, 233, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1916,1917,1975,1976,
&end
#
# 0 AMB 10-2:1600 15 ASP HN 5.50 (# 1600:10 Single Ambig)
&rst
ixpk= 1600, nxpk= 10, iat= -1, 233, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1916,1917, 262,2048,2049,
&end
#
# 14 THR HA 15 ASP HN 4.50 (# 1601:10 Unique 3.35, 3.46 A)
&rst
ixpk= 1601, nxpk= 10, iat= 221, 233, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 15 ASP HA 15 ASP HN 4.50 (# 1603:10 Unique 2.75, 2.77 A)
&rst
ixpk= 1603, nxpk= 10, iat= 235, 233, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 124 LEU HA 15 ASP HN 4.50 (# 1604:10 Unique 2.82, 3.13 A)
&rst
ixpk= 1604, nxpk= 10, iat=1925, 233, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 14 THR HG1 15 ASP HN 4.50 (# 1605:10 Unique 3.83, 3.97 A)
&rst
ixpk= 1605, nxpk= 10, iat= 229, 233, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 125 GLU HN 15 ASP HN 5.50 (# 1606:10 Unique 3.28, 3.71 A)
&rst
ixpk= 1606, nxpk= 10, iat=1942, 233, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1607 63 ALA HN 4.50 (# 1607:10 Single Ambig)
&rst
ixpk= 1607, nxpk= 10, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1000,1001,1002,1004,1005,1006,1000,1001,1002,1004,
1005,1006, 131, 132, 133, 135, 136, 137, 131, 132,
133, 135, 136, 137,1815,1816,1817,1819,1820,1821,
&end
#
# 62 ASP HB- 63 ALA HN 4.50 (# 1608:10 Unique 2.67, 3.62 A)
&rst
ixpk= 1608, nxpk= 10, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 957, 958,
&end
#
# 62 ASP HB+ 63 ALA HN 5.50 (# 1609:10 Unique 2.67, 3.62 A)
&rst
ixpk= 1609, nxpk= 10, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 957, 958,
&end
#
# 0 AMB 10-2:1610 63 ALA HN 5.50 (# 1610:10 Single Ambig)
&rst
ixpk= 1610, nxpk= 10, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 143, 144, 291, 292,
&end
#
# 19 GLY HA+ 63 ALA HN 5.50 (# 1611:10 Unique 3.32, 4.29 A)
&rst
ixpk= 1611, nxpk= 10, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 291, 292,
&end
#
# 0 AMB 10-2:1612 63 ALA HN 5.50 (# 1612:10 Single Ambig)
&rst
ixpk= 1612, nxpk= 10, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 975, 270,
&end
#
# 19 GLY HN 63 ALA HN 5.50 (# 1614:10 Unique 3.48, 4.13 A)
&rst
ixpk= 1614, nxpk= 10, iat= 289, 965, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 ILE HG1+ 60 ILE HN 5.50 (# 1615:10 Unique 4.63, 5.05 A)
&rst
ixpk= 1615, nxpk= 10, iat= -1, 924, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 915, 916,
&end
#
# 116 LEU HB- 60 ILE HN 5.50 (# 1616:10 Unique 3.49, 4.35 A)
&rst
ixpk= 1616, nxpk= 10, iat= -1, 924, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1810,1811,
&end
#
# 0 AMB 10-2:1617 60 ILE HN 4.50 (# 1617:10 Single Ambig)
&rst
ixpk= 1617, nxpk= 10, iat= -1, 924, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 934, 935,1810,1811,
&end
#
# 115 THR HB 60 ILE HN 5.50 (# 1618:10 Unique 3.49, 3.77 A)
&rst
ixpk= 1618, nxpk= 10, iat=1796, 924, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 ILE HA 60 ILE HN 4.50 (# 1619:10 Unique 2.91, 2.92 A)
&rst
ixpk= 1619, nxpk= 10, iat= 926, 924, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 61 ALA HN 60 ILE HN 5.50 (# 1620:10 Unique 4.46, 4.55 A)
&rst
ixpk= 1620, nxpk= 10, iat= 943, 924, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1621 60 ILE HN 5.50 (# 1621:10 Single Ambig)
&rst
ixpk= 1621, nxpk= 10, iat= -1, 924, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 99,1806,
&end
#
# 4 LEU HB- 37 GLU HN 5.50 (# 1622:10 Unique 4.11, 5.02 A)
&rst
ixpk= 1622, nxpk= 10, iat= -1, 593, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 68, 69,
&end
#
# 3 ILE HG1+ 37 GLU HN 5.50 (# 1623:10 Unique 6.31, 6.45 A)
&rst
ixpk= 1623, nxpk= 10, iat= -1, 593, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 55, 56,
&end
#
# 0 AMB 10-2:1624 37 GLU HN 5.50 (# 1624:10 Single Ambig)
&rst
ixpk= 1624, nxpk= 10, iat= -1, 593, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 68, 69, 515, 516, 840, 841,
&end
#
# 37 GLU HG+ 37 GLU HN 4.50 (# 1625:10 Unique 2.55, 3.59 A)
&rst
ixpk= 1625, nxpk= 10, iat= -1, 593, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 600, 601,
&end
#
# 37 GLU HG- 37 GLU HN 4.50 (# 1626:10 Unique 2.55, 3.59 A)
&rst
ixpk= 1626, nxpk= 10, iat= -1, 593, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 600, 601,
&end
#
# 36 VAL HN 37 GLU HN 5.50 (# 1627:10 Unique 4.37, 4.42 A)
&rst
ixpk= 1627, nxpk= 10, iat= 577, 593, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 5 VAL HN 37 GLU HN 5.50 (# 1628:10 Unique 3.72, 3.86 A)
&rst
ixpk= 1628, nxpk= 10, iat= 83, 593, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 146 LEU MDY 156 ALA HN 5.50 (# 1629:10 Unique 4.43, 6.17 A)
&rst
ixpk= 1629, nxpk= 10, iat= -1,2404, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2267,2268,2269,2271,2272,2273,
&end
#
# 146 LEU MDX 156 ALA HN 5.50 (# 1630:10 Unique 4.43, 6.17 A)
&rst
ixpk= 1630, nxpk= 10, iat= -1,2404, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2267,2268,2269,2271,2272,2273,
&end
#
# 0 AMB 10-2:1631 156 ALA HN 4.50 (# 1631:10 Single Ambig)
&rst
ixpk= 1631, nxpk= 10, iat= -1,2404, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2379,2380,2381,2383,2384,2385,2306,2307,2308,2310,
2311,2312,
&end
#
# 0 AMB 10-2:1632 156 ALA HN 5.50 (# 1632:10 Single Ambig)
&rst
ixpk= 1632, nxpk= 10, iat= -1,2404, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=2379,2380,2381,2383,2384,2385,2427,2428,2429,
&end
#
# 155 GLU HG+ 156 ALA HN 4.50 (# 1633:10 Unique 3.36, 4.09 A)
&rst
ixpk= 1633, nxpk= 10, iat= -1,2404, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2396,2397,
&end
#
# 155 GLU HN 156 ALA HN 5.50 (# 1634:10 Unique 3.03, 3.99 A)
&rst
ixpk= 1634, nxpk= 10, iat=2389,2404, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 4 LEU HB- 5 VAL HN 4.50 (# 1635:10 Unique 3.60, 4.19 A)
&rst
ixpk= 1635, nxpk= 10, iat= -1, 83, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 68, 69,
&end
#
# 39 LEU HB- 5 VAL HN 4.50 (# 1636:10 Unique 4.30, 4.95 A)
&rst
ixpk= 1636, nxpk= 10, iat= -1, 83, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 631, 632,
&end
#
# 0 AMB 10-2:1637 5 VAL HN 5.50 (# 1637:10 Single Ambig)
&rst
ixpk= 1637, nxpk= 10, iat= -1, 83, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 909, 618, 619, 518,
&end
#
# 0 AMB 10-2:1638 5 VAL HN 4.50 (# 1638:10 Single Ambig)
&rst
ixpk= 1638, nxpk= 10, iat= -1, 83, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 68, 69, 612,
&end
#
# 5 VAL HA 5 VAL HN 4.50 (# 1639:10 Unique 2.90, 2.93 A)
&rst
ixpk= 1639, nxpk= 10, iat= 85, 83, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 37 GLU HN 5 VAL HN 5.50 (# 1640:10 Unique 3.72, 3.86 A)
&rst
ixpk= 1640, nxpk= 10, iat= 593, 83, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 6 LEU HN 5 VAL HN 5.50 (# 1641:10 Unique 4.18, 4.35 A)
&rst
ixpk= 1641, nxpk= 10, iat= 99, 83, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 116 LEU HB- 117 VAL HN 4.50 (# 1642:10 Unique 4.10, 4.22 A)
&rst
ixpk= 1642, nxpk= 10, iat= -1,1825, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1810,1811,
&end
#
# 0 AMB 10-2:1643 117 VAL HN 4.50 (# 1643:10 Single Ambig)
&rst
ixpk= 1643, nxpk= 10, iat= -1,1825, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 947, 948, 949,1185,1186,
&end
#
# 0 AMB 10-2:1644 117 VAL HN 5.50 (# 1644:10 Single Ambig)
&rst
ixpk= 1644, nxpk= 10, iat= -1,1825, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1810,1811, 934, 935,
&end
#
# 117 VAL HA 117 VAL HN 4.50 (# 1645:10 Unique 2.93, 2.94 A)
&rst
ixpk= 1645, nxpk= 10, iat=1827,1825, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 62 ASP HN 117 VAL HN 5.50 (# 1646:10 Unique 3.65, 3.79 A)
&rst
ixpk= 1646, nxpk= 10, iat= 953,1825, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 118 GLY HN 117 VAL HN 5.50 (# 1647:10 Unique 4.24, 4.34 A)
&rst
ixpk= 1647, nxpk= 10, iat=1841,1825, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 116 LEU HN 117 VAL HN 5.50 (# 1648:10 Unique 4.12, 4.20 A)
&rst
ixpk= 1648, nxpk= 10, iat=1806,1825, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1649 155 GLU HN 4.50 (# 1649:10 Single Ambig)
&rst
ixpk= 1649, nxpk= 10, iat= -1,2389, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=2396,2397, 15, 16, 17,
&end
#
# 154 VAL HN 155 GLU HN 5.50 (# 1650:10 Unique 3.77, 3.94 A)
&rst
ixpk= 1650, nxpk= 10, iat=2373,2389, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 156 ALA HN 155 GLU HN 5.50 (# 1651:10 Unique 3.03, 3.99 A)
&rst
ixpk= 1651, nxpk= 10, iat=2404,2389, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 4 LEU HB- 4 LEU HN 4.50 (# 1652:10 Unique 2.74, 3.09 A)
&rst
ixpk= 1652, nxpk= 10, iat= -1, 64, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 68, 69,
&end
#
# 0 AMB 10-2:1653 4 LEU HN 4.50 (# 1653:10 Single Ambig)
&rst
ixpk= 1653, nxpk= 10, iat= -1, 64, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 840, 841, 68, 69,
&end
#
# 3 ILE HG1+ 4 LEU HN 5.50 (# 1654:10 Unique 4.10, 4.40 A)
&rst
ixpk= 1654, nxpk= 10, iat= -1, 64, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 55, 56,
&end
#
# 4 LEU HA 4 LEU HN 4.50 (# 1655:10 Unique 2.91, 2.91 A)
&rst
ixpk= 1655, nxpk= 10, iat= 66, 64, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 57 HIS HN 4 LEU HN 5.50 (# 1656:10 Unique 4.00, 4.29 A)
&rst
ixpk= 1656, nxpk= 10, iat= 869, 64, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1657 4 LEU HN 5.50 (# 1657:10 Single Ambig)
&rst
ixpk= 1657, nxpk= 10, iat= -1, 64, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 83, 905, 857,
&end
#
# 116 LEU HB- 77 LEU HN 4.50 (# 1658:10 Unique 4.01, 5.01 A)
&rst
ixpk= 1658, nxpk= 10, iat= -1,1181, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1810,1811,
&end
#
# 77 LEU HB- 77 LEU HN 4.50 (# 1659:10 Unique 2.17, 2.92 A)
&rst
ixpk= 1659, nxpk= 10, iat= -1,1181, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1185,1186,
&end
#
# 116 LEU HB+ 77 LEU HN 4.50 (# 1660:10 Unique 4.01, 5.01 A)
&rst
ixpk= 1660, nxpk= 10, iat= -1,1181, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1810,1811,
&end
#
# 0 AMB 10-2:1661 77 LEU HN 5.50 (# 1661:10 Single Ambig)
&rst
ixpk= 1661, nxpk= 10, iat= -1,1181, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1166,1149,1150,
&end
#
# 117 VAL HA 77 LEU HN 5.50 (# 1662:10 Unique 2.80, 3.22 A)
&rst
ixpk= 1662, nxpk= 10, iat=1827,1181, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 LEU HA 77 LEU HN 4.50 (# 1663:10 Unique 2.92, 2.94 A)
&rst
ixpk= 1663, nxpk= 10, iat=1183,1181, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 76 ILE HN 77 LEU HN 5.50 (# 1664:10 Unique 4.17, 4.45 A)
&rst
ixpk= 1664, nxpk= 10, iat=1162,1181, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 116 LEU HN 77 LEU HN 4.50 (# 1665:10 Unique 2.95, 3.34 A)
&rst
ixpk= 1665, nxpk= 10, iat=1806,1181, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1666 124 LEU HN 5.50 (# 1666:10 Single Ambig)
&rst
ixpk= 1666, nxpk= 10, iat= -1,1923, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1946,1947,2018,2019,
&end
#
# 0 AMB 10-2:1667 124 LEU HN 4.50 (# 1667:10 Single Ambig)
&rst
ixpk= 1667, nxpk= 10, iat= -1,1923, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1949,1950,1949,1950,
&end
#
# 123 SER HB- 124 LEU HN 4.50 (# 1668:10 Unique 2.64, 3.36 A)
&rst
ixpk= 1668, nxpk= 10, iat= -1,1923, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1916,1917,
&end
#
# 123 SER HB+ 124 LEU HN 4.50 (# 1669:10 Unique 2.64, 3.36 A)
&rst
ixpk= 1669, nxpk= 10, iat= -1,1923, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1916,1917,
&end
#
# 14 THR HB 124 LEU HN 4.50 (# 1670:10 Unique 3.22, 4.05 A)
&rst
ixpk= 1670, nxpk= 10, iat= 223,1923, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 123 SER HN 124 LEU HN 5.50 (# 1671:10 Unique 1.77, 2.03 A)
&rst
ixpk= 1671, nxpk= 10, iat=1912,1923, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1672 114 LEU HN 4.50 (# 1672:10 Single Ambig)
&rst
ixpk= 1672, nxpk= 10, iat= -1,1773, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1758,1759,1761,1762,
&end
#
# 79 ASP HA 114 LEU HN 4.50 (# 1673:10 Unique 3.61, 3.81 A)
&rst
ixpk= 1673, nxpk= 10, iat=1226,1773, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 114 LEU HA 114 LEU HN 5.50 (# 1674:10 Unique 2.93, 2.94 A)
&rst
ixpk= 1674, nxpk= 10, iat=1775,1773, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 113 LYS HN 114 LEU HN 5.50 (# 1675:10 Unique 3.92, 4.07 A)
&rst
ixpk= 1675, nxpk= 10, iat=1751,1773, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 115 THR HN 114 LEU HN 5.50 (# 1676:10 Unique 4.32, 4.44 A)
&rst
ixpk= 1676, nxpk= 10, iat=1792,1773, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 ASP HN 114 LEU HN 5.50 (# 1677:10 Unique 3.64, 3.91 A)
&rst
ixpk= 1677, nxpk= 10, iat=1224,1773, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 5 VAL MGY 39 LEU HN 4.50 (# 1678:10 Unique 2.14, 4.60 A)
&rst
ixpk= 1678, nxpk= 10, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 89, 90, 91, 93, 94, 95,
&end
#
# 23 VAL MGY 39 LEU HN 5.50 (# 1679:10 Unique 3.12, 4.71 A)
&rst
ixpk= 1679, nxpk= 10, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 361, 362, 363, 365, 366, 367,
&end
#
# 0 AMB 10-2:1680 39 LEU HN 5.50 (# 1680:10 Single Ambig)
&rst
ixpk= 1680, nxpk= 10, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 618, 619, 106,
&end
#
# 0 AMB 10-2:1681 39 LEU HN 4.50 (# 1681:10 Single Ambig)
&rst
ixpk= 1681, nxpk= 10, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 87, 597, 598, 597, 598,
&end
#
# 23 VAL HB 39 LEU HN 5.50 (# 1682:10 Unique 3.49, 3.64 A)
&rst
ixpk= 1682, nxpk= 10, iat= 359, 627, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1683 39 LEU HN 4.50 (# 1683:10 Single Ambig)
&rst
ixpk= 1683, nxpk= 10, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 608, 646,
&end
#
# 115 THR HB 116 LEU HN 5.50 (# 1684:10 Unique 3.21, 3.46 A)
&rst
ixpk= 1684, nxpk= 10, iat=1796,1806, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 116 LEU HA 116 LEU HN 4.50 (# 1685:10 Unique 2.91, 2.92 A)
&rst
ixpk= 1685, nxpk= 10, iat=1808,1806, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1686 0 AMB 10-1:1686 5.50 (# 1686:10 Double Ambig)
&rst
ixpk= 1686, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 943,1773,
igr2= 99,1806,
&end
#
# 77 LEU HN 116 LEU HN 4.50 (# 1687:10 Unique 2.95, 3.34 A)
&rst
ixpk= 1687, nxpk= 10, iat=1181,1806, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1688 0 AMB 10-1:1688 4.50 (# 1688:10 Double Ambig)
&rst
ixpk= 1688, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 905,1792, 83,
igr2= 99,1806,
&end
#
# 0 AMB 10-2:1689 0 AMB 10-1:1689 4.50 (# 1689:10 Double Ambig)
&rst
ixpk= 1689, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 924,1825,
igr2= 99,1806,
&end
#
# 0 AMB 10-2:1690 32 LEU HN 4.50 (# 1690:10 Single Ambig)
&rst
ixpk= 1690, nxpk= 10, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 502, 503,2408,2409,2410,2420,2421,2422,
&end
#
# 33 PRO HD+ 32 LEU HN 5.50 (# 1691:10 Unique 4.76, 4.92 A)
&rst
ixpk= 1691, nxpk= 10, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 531, 532,
&end
#
# 0 AMB 10-2:1692 32 LEU HN 5.50 (# 1692:10 Single Ambig)
&rst
ixpk= 1692, nxpk= 10, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 531, 532,2475,2476,
&end
#
# 31 ILE HN 32 LEU HN 5.50 (# 1693:10 Unique 4.17, 4.28 A)
&rst
ixpk= 1693, nxpk= 10, iat= 492, 511, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1694 120 ILE HN 4.50 (# 1694:10 Single Ambig)
&rst
ixpk= 1694, nxpk= 10, iat= -1,1864, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1870,1871,1872, 276, 277, 278,
&end
#
# 73 THR HB 120 ILE HN 5.50 (# 1695:10 Unique 3.85, 4.36 A)
&rst
ixpk= 1695, nxpk= 10, iat=1118,1864, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1696 120 ILE HN 5.50 (# 1696:10 Single Ambig)
&rst
ixpk= 1696, nxpk= 10, iat= -1,1864, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1109,1110,1884,1885,1116,
&end
#
# 74 MET HA 120 ILE HN 5.50 (# 1697:10 Unique 3.62, 3.79 A)
&rst
ixpk= 1697, nxpk= 10, iat=1130,1864, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 THR HN 120 ILE HN 4.50 (# 1698:10 Unique 2.24, 2.47 A)
&rst
ixpk= 1698, nxpk= 10, iat=1114,1864, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 72 GLY HN 120 ILE HN 5.50 (# 1699:10 Unique 3.74, 4.08 A)
&rst
ixpk= 1699, nxpk= 10, iat=1107,1864, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 TYR HB+ 2 ARG HN 4.50 (# 1700:10 Unique 4.45, 5.14 A)
&rst
ixpk= 1700, nxpk= 10, iat= -1, 21, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 560, 561,
&end
#
# 1 MET HG- 3 ILE HN 5.50 (# 1701:10 Unique 4.33, 5.84 A)
&rst
ixpk= 1701, nxpk= 10, iat= -1, 45, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 11, 12,
&end
#
# 4 LEU HN 3 ILE HN 5.50 (# 1703:10 Unique 4.25, 4.34 A)
&rst
ixpk= 1703, nxpk= 10, iat= 64, 45, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 VAL HA 5 VAL HN 5.50 (# 1704:10 Unique 4.98, 5.34 A)
&rst
ixpk= 1704, nxpk= 10, iat= 579, 83, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 LEU HN 5 VAL HN 5.50 (# 1705:10 Unique 3.21, 3.46 A)
&rst
ixpk= 1705, nxpk= 10, iat= 627, 83, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1706 0 AMB 10-1:1706 2.80 (# 1706:10 Double Ambig)
&rst
ixpk= 1706, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 895, 896, 897, 899, 900, 901, 934, 935,1782,1783,
1784,1786,1787,1788,
igr2= 99,1806,
&end
#
# 39 LEU HN 7 GLY HN 5.50 (# 1707:10 Unique 4.20, 4.39 A)
&rst
ixpk= 1707, nxpk= 10, iat= 627, 118, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 THR MG2 10 ASN HN 5.50 (# 1708:10 Unique 3.43, 4.56 A)
&rst
ixpk= 1708, nxpk= 10, iat= -1, 148, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 678, 679, 680,
&end
#
# 0 AMB 10-2:1709 10 ASN HN 3.50 (# 1709:10 Single Ambig)
&rst
ixpk= 1709, nxpk= 10, iat= -1, 148, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 152, 153, 249, 250,
&end
#
# 10 ASN HB+ 10 ASN HN 4.50 (# 1710:10 Unique 2.11, 3.40 A)
&rst
ixpk= 1710, nxpk= 10, iat= -1, 148, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 152, 153,
&end
#
# 0 AMB 10-2:1712 10 ASN HN 3.50 (# 1712:10 Single Ambig)
&rst
ixpk= 1712, nxpk= 10, iat= -1, 148, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 143, 144, 150,
&end
#
# 10 ASN HB+ 11 ILE HN 5.50 (# 1713:10 Unique 3.85, 4.33 A)
&rst
ixpk= 1713, nxpk= 10, iat= -1, 162, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 152, 153,
&end
#
# 10 ASN HB- 11 ILE HN 4.50 (# 1714:10 Unique 3.85, 4.33 A)
&rst
ixpk= 1714, nxpk= 10, iat= -1, 162, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 152, 153,
&end
#
# 0 AMB 10-2:1715 11 ILE HN 3.50 (# 1715:10 Single Ambig)
&rst
ixpk= 1715, nxpk= 10, iat= -1, 162, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 188, 185, 186, 185, 186, 264, 265, 266,
&end
#
# 0 AMB 10-2:1716 11 ILE HN 4.50 (# 1716:10 Single Ambig)
&rst
ixpk= 1716, nxpk= 10, iat= -1, 162, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 302, 303, 304, 306, 307, 308, 302, 303, 304, 306,
307, 308, 209, 210, 211, 213, 214, 215,
&end
#
# 11 ILE MD1 11 ILE HN 3.50 (# 1717:10 Unique 1.89, 3.99 A)
&rst
ixpk= 1717, nxpk= 10, iat= -1, 162, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 175, 176, 177,
&end
#
# 13 LEU HN 11 ILE HN 5.50 (# 1720:10 Unique 4.12, 4.69 A)
&rst
ixpk= 1720, nxpk= 10, iat= 200, 162, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 ASN HD2+ 12 LEU HN 5.50 (# 1722:10 Unique 1.85, 2.85 A)
&rst
ixpk= 1722, nxpk= 10, iat= -1, 181, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 157, 158,
&end
#
# 13 LEU HB+ 13 LEU HN 3.50 (# 1724:10 Unique 2.20, 2.95 A)
&rst
ixpk= 1724, nxpk= 10, iat= -1, 200, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 204, 205,
&end
#
# 11 ILE HN 13 LEU HN 5.50 (# 1728:10 Unique 4.12, 4.69 A)
&rst
ixpk= 1728, nxpk= 10, iat= 162, 200, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 127 HIS HN 13 LEU HN 5.50 (# 1729:10 Unique 4.16, 4.59 A)
&rst
ixpk= 1729, nxpk= 10, iat=1971, 200, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 125 GLU HN 14 THR HN 5.50 (# 1731:10 Unique 4.96, 5.53 A)
&rst
ixpk= 1731, nxpk= 10, iat=1942, 219, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 130 LEU HB+ 15 ASP HN 5.50 (# 1733:10 Unique 4.30, 6.33 A)
&rst
ixpk= 1733, nxpk= 10, iat= -1, 233, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2018,2019,
&end
#
# 0 AMB 10-2:1734 15 ASP HN 5.50 (# 1734:10 Single Ambig)
&rst
ixpk= 1734, nxpk= 10, iat= -1, 233, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 249, 250, 252, 253, 252, 253,
&end
#
# 0 AMB 10-2:1735 15 ASP HN 5.50 (# 1735:10 Single Ambig)
&rst
ixpk= 1735, nxpk= 10, iat= -1, 233, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 260,1988,
&end
#
# 0 AMB 10-2:1736 16 GLU HN 5.50 (# 1736:10 Single Ambig)
&rst
ixpk= 1736, nxpk= 10, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1000,1001,1002,1004,1005,1006,1000,1001,1002,1004,
1005,1006,2023,2024,2025,2027,2028,2029,
&end
#
# 0 AMB 10-2:1737 16 GLU HN 5.50 (# 1737:10 Single Ambig)
&rst
ixpk= 1737, nxpk= 10, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1890,1891,1887,1888,
&end
#
# 14 THR HA 16 GLU HN 5.50 (# 1738:10 Unique 4.17, 4.73 A)
&rst
ixpk= 1738, nxpk= 10, iat= 221, 245, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 124 LEU HA 16 GLU HN 4.50 (# 1739:10 Unique 2.91, 3.44 A)
&rst
ixpk= 1739, nxpk= 10, iat=1925, 245, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1742 17 ALA HN 5.50 (# 1742:10 Single Ambig)
&rst
ixpk= 1742, nxpk= 10, iat= -1, 260, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=2023,2024,2025,2027,2028,2029, 283, 284, 285,
&end
#
# 13 LEU HB+ 17 ALA HN 5.50 (# 1744:10 Unique 3.84, 4.63 A)
&rst
ixpk= 1744, nxpk= 10, iat= -1, 260, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 204, 205,
&end
#
# 21 ARG HG+ 17 ALA HN 5.50 (# 1745:10 Unique 4.83, 5.36 A)
&rst
ixpk= 1745, nxpk= 10, iat= -1, 260, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 319, 320,
&end
#
# 0 AMB 10-2:1746 17 ALA HN 5.50 (# 1746:10 Single Ambig)
&rst
ixpk= 1746, nxpk= 10, iat= -1, 260, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 166,1887,1888,
&end
#
# 16 GLU HA 17 ALA HN 4.50 (# 1748:10 Unique 3.16, 3.45 A)
&rst
ixpk= 1748, nxpk= 10, iat= 247, 260, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 14 THR HA 17 ALA HN 5.50 (# 1749:10 Unique 3.89, 4.09 A)
&rst
ixpk= 1749, nxpk= 10, iat= 221, 260, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1750 17 ALA HN 5.50 (# 1750:10 Single Ambig)
&rst
ixpk= 1750, nxpk= 10, iat= -1, 260, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1990, 223, 291, 292,2009,2010,
&end
#
# 13 LEU HN 17 ALA HN 5.50 (# 1751:10 Unique 3.51, 3.88 A)
&rst
ixpk= 1751, nxpk= 10, iat= 200, 260, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1752 17 ALA HN 5.50 (# 1752:10 Single Ambig)
&rst
ixpk= 1752, nxpk= 10, iat= -1, 260, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 312, 141,
&end
#
# 0 AMB 10-2:1753 18 ILE HN 5.50 (# 1753:10 Single Ambig)
&rst
ixpk= 1753, nxpk= 10, iat= -1, 270, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 249, 250, 252, 253, 252, 253,
&end
#
# 0 AMB 10-2:1754 18 ILE HN 5.50 (# 1754:10 Single Ambig)
&rst
ixpk= 1754, nxpk= 10, iat= -1, 270, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 291, 292, 223,1990,
&end
#
# 18 ILE HG1- 19 GLY HN 5.50 (# 1755:10 Unique 4.09, 4.80 A)
&rst
ixpk= 1755, nxpk= 10, iat= -1, 289, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 280, 281,
&end
#
# 0 AMB 10-2:1756 19 GLY HN 5.50 (# 1756:10 Single Ambig)
&rst
ixpk= 1756, nxpk= 10, iat= -1, 289, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 312, 148,
&end
#
# 21 ARG HD- 20 VAL HN 5.50 (# 1757:10 Unique 3.52, 5.29 A)
&rst
ixpk= 1757, nxpk= 10, iat= -1, 296, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 322, 323,
&end
#
# 8 VAL HN 20 VAL HN 5.50 (# 1758:10 Unique 4.40, 4.91 A)
&rst
ixpk= 1758, nxpk= 10, iat= 125, 296, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 ILE HG1- 22 ILE HN 5.50 (# 1759:10 Unique 4.61, 5.88 A)
&rst
ixpk= 1759, nxpk= 10, iat= -1, 336, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 280, 281,
&end
#
# 25 ALA MB 22 ILE HN 5.50 (# 1760:10 Unique 4.75, 5.93 A)
&rst
ixpk= 1760, nxpk= 10, iat= -1, 336, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 390, 391, 392,
&end
#
# 21 ARG HG- 22 ILE HN 5.50 (# 1761:10 Unique 3.87, 4.63 A)
&rst
ixpk= 1761, nxpk= 10, iat= -1, 336, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 319, 320,
&end
#
# 22 ILE HG1+ 22 ILE HN 2.80 (# 1762:10 Unique 1.95, 3.04 A)
&rst
ixpk= 1762, nxpk= 10, iat= -1, 336, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 346, 347,
&end
#
# 21 ARG HD+ 22 ILE HN 5.50 (# 1763:10 Unique 4.65, 5.24 A)
&rst
ixpk= 1763, nxpk= 10, iat= -1, 336, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 322, 323,
&end
#
# 19 GLY HA+ 22 ILE HN 5.50 (# 1764:10 Unique 3.92, 4.53 A)
&rst
ixpk= 1764, nxpk= 10, iat= -1, 336, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 291, 292,
&end
#
# 24 GLU HN 22 ILE HN 5.50 (# 1765:10 Unique 3.78, 3.81 A)
&rst
ixpk= 1765, nxpk= 10, iat= 371, 336, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 ALA MB 23 VAL HN 5.50 (# 1766:10 Unique 5.21, 6.64 A)
&rst
ixpk= 1766, nxpk= 10, iat= -1, 355, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 390, 391, 392,
&end
#
# 26 LEU HB+ 23 VAL HN 5.50 (# 1767:10 Unique 4.56, 4.95 A)
&rst
ixpk= 1767, nxpk= 10, iat= -1, 355, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 400, 401,
&end
#
# 0 AMB 10-2:1768 24 GLU HN 4.50 (# 1768:10 Single Ambig)
&rst
ixpk= 1768, nxpk= 10, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 342, 343, 344, 89, 90, 91, 93, 94, 95, 89,
90, 91, 93, 94, 95,
&end
#
# 0 AMB 10-2:1770 24 GLU HN 5.50 (# 1770:10 Single Ambig)
&rst
ixpk= 1770, nxpk= 10, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 612, 319, 320,
&end
#
# 21 ARG HD- 24 GLU HN 5.50 (# 1771:10 Unique 5.57, 6.12 A)
&rst
ixpk= 1771, nxpk= 10, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 322, 323,
&end
#
# 21 ARG HD+ 24 GLU HN 5.50 (# 1772:10 Unique 5.57, 6.12 A)
&rst
ixpk= 1772, nxpk= 10, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 322, 323,
&end
#
# 20 VAL HA 24 GLU HN 5.50 (# 1773:10 Unique 4.23, 4.35 A)
&rst
ixpk= 1773, nxpk= 10, iat= 298, 371, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 ILE HA 24 GLU HN 5.50 (# 1774:10 Unique 4.23, 4.31 A)
&rst
ixpk= 1774, nxpk= 10, iat= 338, 371, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1775 25 ALA HN 4.50 (# 1775:10 Single Ambig)
&rst
ixpk= 1775, nxpk= 10, iat= -1, 386, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 342, 343, 344, 349, 350, 351, 405, 406, 407, 409,
410, 411,
&end
#
# 0 AMB 10-2:1776 25 ALA HN 4.50 (# 1776:10 Single Ambig)
&rst
ixpk= 1776, nxpk= 10, iat= -1, 386, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
igr1=2139,2140,2141,2143,2144, 302, 303, 304, 306, 307,
308, 302, 303, 304, 306, 307, 308, 621, 622, 623,
405, 406, 407, 409, 410, 411, 614, 615, 616,
&end
#
# 0 AMB 10-2:1777 25 ALA HN 4.50 (# 1777:10 Single Ambig)
&rst
ixpk= 1777, nxpk= 10, iat= -1, 386, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
igr1=2200,2201,2202,2204,2205,2206,2200,2201,2202,2204,
2205,2206,2146,2147,2148, 361, 362, 363, 365, 366,
367,
&end
#
# 23 VAL MGY 25 ALA HN 5.50 (# 1778:10 Unique 4.48, 6.23 A)
&rst
ixpk= 1778, nxpk= 10, iat= -1, 386, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 361, 362, 363, 365, 366, 367,
&end
#
# 0 AMB 10-2:1779 25 ALA HN 5.50 (# 1779:10 Single Ambig)
&rst
ixpk= 1779, nxpk= 10, iat= -1, 386, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 400, 401,2185,2186,2187,
&end
#
# 0 AMB 10-2:1780 25 ALA HN 5.50 (# 1780:10 Single Ambig)
&rst
ixpk= 1780, nxpk= 10, iat= -1, 386, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 319, 320, 612,
&end
#
# 26 LEU HB+ 25 ALA HN 5.50 (# 1782:10 Unique 4.52, 4.93 A)
&rst
ixpk= 1782, nxpk= 10, iat= -1, 386, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 400, 401,
&end
#
# 0 AMB 10-2:1783 25 ALA HN 4.50 (# 1783:10 Single Ambig)
&rst
ixpk= 1783, nxpk= 10, iat= -1, 386, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 378, 379, 437, 438,
&end
#
# 22 ILE HA 25 ALA HN 4.50 (# 1784:10 Unique 3.43, 3.79 A)
&rst
ixpk= 1784, nxpk= 10, iat= 338, 386, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1785 25 ALA HN 5.50 (# 1785:10 Single Ambig)
&rst
ixpk= 1785, nxpk= 10, iat= -1, 386, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 357,2193,
&end
#
# 0 AMB 10-2:1786 25 ALA HN 5.50 (# 1786:10 Single Ambig)
&rst
ixpk= 1786, nxpk= 10, iat= -1, 386, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 398, 432,
&end
#
# 23 VAL HN 25 ALA HN 5.50 (# 1787:10 Unique 4.32, 4.66 A)
&rst
ixpk= 1787, nxpk= 10, iat= 355, 386, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 ILE HN 25 ALA HN 5.50 (# 1788:10 Unique 4.39, 4.55 A)
&rst
ixpk= 1788, nxpk= 10, iat= 336, 386, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1789 26 LEU HN 3.50 (# 1789:10 Single Ambig)
&rst
ixpk= 1789, nxpk= 10, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 405, 406, 407, 409, 410, 411, 614, 615, 616,2139,
2140,2141, 520, 521, 522, 524, 525, 526,2248,2249,
2250,2252,2253,2254,
&end
#
# 0 AMB 10-2:1791 26 LEU HN 5.50 (# 1791:10 Single Ambig)
&rst
ixpk= 1791, nxpk= 10, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 451, 452,2198,
&end
#
# 22 ILE HA 26 LEU HN 5.50 (# 1792:10 Unique 3.96, 4.05 A)
&rst
ixpk= 1792, nxpk= 10, iat= 338, 396, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 VAL HN 26 LEU HN 5.50 (# 1793:10 Unique 4.67, 4.72 A)
&rst
ixpk= 1793, nxpk= 10, iat= 355, 396, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 GLU HN 26 LEU HN 5.50 (# 1794:10 Unique 3.70, 3.76 A)
&rst
ixpk= 1794, nxpk= 10, iat= 371, 396, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 GLU HN 0 AMB 10-1:1795 5.50 (# 1795:10 Single Ambig)
&rst
ixpk= 1795, nxpk= 10, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 312, 430,
&end
#
# 19 GLY HN 21 ARG HN 5.50 (# 1797:10 Unique 3.81, 4.01 A)
&rst
ixpk= 1797, nxpk= 10, iat= 289, 312, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 GLU HN 29 ARG HN 5.50 (# 1798:10 Unique 3.80, 3.95 A)
&rst
ixpk= 1798, nxpk= 10, iat= 415, 447, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1799 30 TYR HN 5.50 (# 1799:10 Single Ambig)
&rst
ixpk= 1799, nxpk= 10, iat= -1, 471, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 614, 615, 616, 621, 622, 623,2427,2428,2429,
&end
#
# 26 LEU HB+ 30 TYR HN 5.50 (# 1800:10 Unique 4.46, 5.21 A)
&rst
ixpk= 1800, nxpk= 10, iat= -1, 471, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 400, 401,
&end
#
# 28 GLN HG- 30 TYR HN 5.50 (# 1801:10 Unique 5.72, 6.29 A)
&rst
ixpk= 1801, nxpk= 10, iat= -1, 471, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 437, 438,
&end
#
# 28 GLN HB+ 30 TYR HN 5.50 (# 1802:10 Unique 5.23, 6.02 A)
&rst
ixpk= 1802, nxpk= 10, iat= -1, 471, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 434, 435,
&end
#
# 159 ARG HA 31 ILE HN 5.50 (# 1803:10 Unique 3.17, 3.25 A)
&rst
ixpk= 1803, nxpk= 10, iat=2449, 492, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1804 61 ALA HN 4.50 (# 1804:10 Single Ambig)
&rst
ixpk= 1804, nxpk= 10, iat= -1, 943, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1= 89, 90, 91, 93, 94, 95,1508,1509,1510,1512,
1513,1514,1508,1509,1510,1512,1513,1514, 342, 343,
344, 349, 350, 351, 911, 912, 913,
&end
#
# 23 VAL MGY 61 ALA HN 5.50 (# 1805:10 Unique 4.37, 5.91 A)
&rst
ixpk= 1805, nxpk= 10, iat= -1, 943, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 361, 362, 363, 365, 366, 367,
&end
#
# 0 AMB 10-2:1806 61 ALA HN 4.50 (# 1806:10 Single Ambig)
&rst
ixpk= 1806, nxpk= 10, iat= -1, 943, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 103, 104,1829,
&end
#
# 7 GLY HA- 61 ALA HN 4.50 (# 1807:10 Unique 2.28, 3.41 A)
&rst
ixpk= 1807, nxpk= 10, iat= -1, 943, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 120, 121,
&end
#
# 61 ALA HA 61 ALA HN 4.50 (# 1808:10 Unique 2.94, 2.95 A)
&rst
ixpk= 1808, nxpk= 10, iat= 945, 943, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 8 VAL HN 61 ALA HN 5.50 (# 1809:10 Unique 3.18, 3.39 A)
&rst
ixpk= 1809, nxpk= 10, iat= 125, 943, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 ASP HN 61 ALA HN 5.50 (# 1810:10 Unique 4.11, 4.19 A)
&rst
ixpk= 1810, nxpk= 10, iat= 953, 943, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1811 61 ALA HN 5.50 (# 1811:10 Single Ambig)
&rst
ixpk= 1811, nxpk= 10, iat= -1, 943, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 118, 905,
&end
#
# 0 AMB 10-2:1812 61 ALA HN 5.50 (# 1812:10 Single Ambig)
&rst
ixpk= 1812, nxpk= 10, iat= -1, 943, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 924,1825,
&end
#
# 6 LEU HN 61 ALA HN 5.50 (# 1813:10 Unique 4.13, 4.50 A)
&rst
ixpk= 1813, nxpk= 10, iat= 99, 943, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 VAL MGY 34 ASP HN 5.50 (# 1814:10 Unique 5.72, 6.89 A)
&rst
ixpk= 1814, nxpk= 10, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 583, 584, 585, 587, 588, 589,
&end
#
# 33 PRO HG+ 34 ASP HN 5.50 (# 1815:10 Unique 3.73, 4.17 A)
&rst
ixpk= 1815, nxpk= 10, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 534, 535,
&end
#
# 3 ILE MD1 35 TYR HN 5.50 (# 1816:10 Unique 5.79, 6.63 A)
&rst
ixpk= 1816, nxpk= 10, iat= -1, 556, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 58, 59, 60,
&end
#
# 0 AMB 10-2:1817 36 VAL HN 4.50 (# 1817:10 Single Ambig)
&rst
ixpk= 1817, nxpk= 10, iat= -1, 577, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=2379,2380,2381,2383,2384,2385, 51, 52, 53, 73,
74, 75, 77, 78, 79, 621, 622, 623,
&end
#
# 3 ILE MD1 36 VAL HN 5.50 (# 1818:10 Unique 4.46, 5.57 A)
&rst
ixpk= 1818, nxpk= 10, iat= -1, 577, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 58, 59, 60,
&end
#
# 37 GLU HG+ 36 VAL HN 5.50 (# 1819:10 Unique 3.89, 5.17 A)
&rst
ixpk= 1819, nxpk= 10, iat= -1, 577, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 600, 601,
&end
#
# 35 TYR HD 36 VAL HN 4.50 (# 1820:10 Unique 3.07, 3.90 A)
&rst
ixpk= 1820, nxpk= 10, iat= -1, 577, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 564, 573,
&end
#
# 35 TYR HE 36 VAL HN 5.50 (# 1821:10 Unique 4.29, 5.01 A)
&rst
ixpk= 1821, nxpk= 10, iat= -1, 577, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 566, 571,
&end
#
# 38 ILE HN 37 GLU HN 4.50 (# 1823:10 Unique 4.34, 4.43 A)
&rst
ixpk= 1823, nxpk= 10, iat= 608, 593, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 LEU HA 38 ILE HN 5.50 (# 1824:10 Unique 5.25, 5.37 A)
&rst
ixpk= 1824, nxpk= 10, iat= 66, 608, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 5 VAL HN 38 ILE HN 5.50 (# 1825:10 Unique 4.83, 4.93 A)
&rst
ixpk= 1825, nxpk= 10, iat= 83, 608, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 LEU MDY 40 ASP HN 3.50 (# 1827:10 Unique 2.01, 3.64 A)
&rst
ixpk= 1827, nxpk= 10, iat= -1, 646, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 636, 637, 638, 640, 641, 642,
&end
#
# 23 VAL MGY 40 ASP HN 5.50 (# 1828:10 Unique 3.97, 5.82 A)
&rst
ixpk= 1828, nxpk= 10, iat= -1, 646, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 361, 362, 363, 365, 366, 367,
&end
#
# 39 LEU HG 40 ASP HN 4.50 (# 1829:10 Unique 4.52, 4.66 A)
&rst
ixpk= 1829, nxpk= 10, iat= 634, 646, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 39 LEU HB+ 40 ASP HN 4.50 (# 1830:10 Unique 3.81, 4.19 A)
&rst
ixpk= 1830, nxpk= 10, iat= -1, 646, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 631, 632,
&end
#
# 40 ASP HA 40 ASP HN 3.50 (# 1831:10 Unique 2.94, 2.94 A)
&rst
ixpk= 1831, nxpk= 10, iat= 648, 646, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 39 LEU HN 40 ASP HN 5.50 (# 1832:10 Unique 4.35, 4.42 A)
&rst
ixpk= 1832, nxpk= 10, iat= 627, 646, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 GLY HN 40 ASP HN 5.50 (# 1833:10 Unique 3.91, 3.96 A)
&rst
ixpk= 1833, nxpk= 10, iat= 658, 646, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1835 42 GLY HN 5.50 (# 1835:10 Single Ambig)
&rst
ixpk= 1835, nxpk= 10, iat= -1, 665, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 150, 676,
&end
#
# 9 GLY HA+ 42 GLY HN 5.50 (# 1836:10 Unique 5.39, 6.29 A)
&rst
ixpk= 1836, nxpk= 10, iat= -1, 665, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 143, 144,
&end
#
# 0 AMB 10-2:1837 42 GLY HN 5.50 (# 1837:10 Single Ambig)
&rst
ixpk= 1837, nxpk= 10, iat= -1, 665, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 686, 696,
&end
#
# 48 LEU HG 44 ALA HN 5.50 (# 1838:10 Unique 5.61, 5.70 A)
&rst
ixpk= 1838, nxpk= 10, iat= 742, 686, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 GLY HN 44 ALA HN 5.50 (# 1840:10 Unique 3.65, 3.93 A)
&rst
ixpk= 1840, nxpk= 10, iat= 665, 686, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1841 46 MET HN 5.50 (# 1841:10 Single Ambig)
&rst
ixpk= 1841, nxpk= 10, iat= -1, 703, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 744, 745, 746, 748, 749, 750, 744, 745, 746, 748,
749, 750,
&end
#
# 0 AMB 10-2:1842 46 MET HN 5.50 (# 1842:10 Single Ambig)
&rst
ixpk= 1842, nxpk= 10, iat= -1, 703, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1503,1504, 690, 691, 692,
&end
#
# 0 AMB 10-2:1843 46 MET HN 5.50 (# 1843:10 Single Ambig)
&rst
ixpk= 1843, nxpk= 10, iat= -1, 703, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 724, 725, 739, 740,
&end
#
# 46 MET HG- 47 GLU HN 5.50 (# 1845:10 Unique 3.29, 4.47 A)
&rst
ixpk= 1845, nxpk= 10, iat= -1, 720, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 710, 711,
&end
#
# 0 AMB 10-2:1846 48 LEU HN 5.50 (# 1846:10 Single Ambig)
&rst
ixpk= 1846, nxpk= 10, iat= -1, 735, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1508,1509,1510,1512,1513,1514,1508,1509,1510,1512,
1513,1514,1605,1606,1607,1609,1610,1611,
&end
#
# 0 AMB 10-2:1847 48 LEU HN 3.50 (# 1847:10 Single Ambig)
&rst
ixpk= 1847, nxpk= 10, iat= -1, 735, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1546,1547,1548,1550,1551,1552,1546,1547,1548,1550,
1551,1552,
&end
#
# 0 AMB 10-2:1848 48 LEU HN 5.50 (# 1848:10 Single Ambig)
&rst
ixpk= 1848, nxpk= 10, iat= -1, 735, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 758, 759, 796, 797,
&end
#
# 0 AMB 10-2:1849 48 LEU HN 4.50 (# 1849:10 Single Ambig)
&rst
ixpk= 1849, nxpk= 10, iat= -1, 735, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 707, 708, 707, 708, 799, 800,
&end
#
# 0 AMB 10-2:1850 48 LEU HN 4.50 (# 1850:10 Single Ambig)
&rst
ixpk= 1850, nxpk= 10, iat= -1, 735, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 727, 728, 727, 728,
&end
#
# 0 AMB 10-2:1851 48 LEU HN 5.50 (# 1851:10 Single Ambig)
&rst
ixpk= 1851, nxpk= 10, iat= -1, 735, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 756, 698, 699,
&end
#
# 0 AMB 10-2:1852 48 LEU HN 5.50 (# 1852:10 Single Ambig)
&rst
ixpk= 1852, nxpk= 10, iat= -1, 735, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 698, 699,1494,1495,
&end
#
# 48 LEU HA 48 LEU HN 2.80 (# 1853:10 Unique 2.88, 2.90 A)
&rst
ixpk= 1853, nxpk= 10, iat= 737, 735, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 46 MET HN 48 LEU HN 5.50 (# 1856:10 Unique 3.64, 4.23 A)
&rst
ixpk= 1856, nxpk= 10, iat= 703, 735, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 LEU MDX 50 GLY HN 4.50 (# 1858:10 Unique 1.95, 4.89 A)
&rst
ixpk= 1858, nxpk= 10, iat= -1, 773, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 763, 764, 765, 767, 768, 769,
&end
#
# 49 LEU MDY 50 GLY HN 5.50 (# 1859:10 Unique 1.95, 4.89 A)
&rst
ixpk= 1859, nxpk= 10, iat= -1, 773, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 763, 764, 765, 767, 768, 769,
&end
#
# 53 ALA MB 50 GLY HN 5.50 (# 1860:10 Unique 4.05, 5.37 A)
&rst
ixpk= 1860, nxpk= 10, iat= -1, 773, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 813, 814, 815,
&end
#
# 49 LEU HG 50 GLY HN 4.50 (# 1861:10 Unique 3.14, 4.41 A)
&rst
ixpk= 1861, nxpk= 10, iat= 761, 773, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 49 LEU HB- 50 GLY HN 2.80 (# 1862:10 Unique 1.98, 2.78 A)
&rst
ixpk= 1862, nxpk= 10, iat= -1, 773, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 758, 759,
&end
#
# 0 AMB 10-2:1863 50 GLY HN 5.50 (# 1863:10 Single Ambig)
&rst
ixpk= 1863, nxpk= 10, iat= -1, 773, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 796, 797, 724, 725, 714, 715, 716,1603,
&end
#
# 0 AMB 10-2:1864 50 GLY HN 5.50 (# 1864:10 Single Ambig)
&rst
ixpk= 1864, nxpk= 10, iat= -1, 773, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 799, 800, 707, 708, 707, 708,
&end
#
# 0 AMB 10-2:1865 50 GLY HN 5.50 (# 1865:10 Single Ambig)
&rst
ixpk= 1865, nxpk= 10, iat= -1, 773, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 784, 785, 799, 800,
&end
#
# 0 AMB 10-2:1866 50 GLY HN 5.50 (# 1866:10 Single Ambig)
&rst
ixpk= 1866, nxpk= 10, iat= -1, 773, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 737, 782,
&end
#
# 53 ALA HN 50 GLY HN 5.50 (# 1867:10 Unique 4.65, 5.09 A)
&rst
ixpk= 1867, nxpk= 10, iat= 809, 773, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 LEU HN 50 GLY HN 3.50 (# 1868:10 Unique 2.60, 3.03 A)
&rst
ixpk= 1868, nxpk= 10, iat= 754, 773, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 52 MET HN 50 GLY HN 5.50 (# 1869:10 Unique 3.75, 4.28 A)
&rst
ixpk= 1869, nxpk= 10, iat= 792, 773, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1870 51 ASP HN 5.50 (# 1870:10 Single Ambig)
&rst
ixpk= 1870, nxpk= 10, iat= -1, 780, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1605,1606,1607,1609,1610,1611, 108, 109, 110, 112,
113, 114,
&end
#
# 0 AMB 10-2:1871 51 ASP HN 5.50 (# 1871:10 Single Ambig)
&rst
ixpk= 1871, nxpk= 10, iat= -1, 780, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
igr1= 763, 764, 765, 767, 768, 769,1546,1547,1548,1550,
1551,1552, 68, 69,
&end
#
# 0 AMB 10-2:1873 51 ASP HN 5.50 (# 1873:10 Single Ambig)
&rst
ixpk= 1873, nxpk= 10, iat= -1, 780, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 735, 819,
&end
#
# 101 LEU MDX 0 AMB 10-1:1874 5.50 (# 1874:10 Single Ambig)
&rst
ixpk= 1874, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1565,1566,1567,1569,1570,1571,
igr2=1266, 792,
&end
#
# 0 AMB 10-2:1875 52 MET HN 5.50 (# 1875:10 Single Ambig)
&rst
ixpk= 1875, nxpk= 10, iat= -1, 792, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
igr1=1546,1547,1548,1550,1551,1552,1546,1547,1548,1550,
1551,1552, 68, 69,
&end
#
# 0 AMB 10-2:1876 0 AMB 10-1:1876 5.50 (# 1876:10 Double Ambig)
&rst
ixpk= 1876, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1810,1811,1405,1406,
igr2=1266,1414,
&end
#
# 0 AMB 10-2:1877 0 AMB 10-1:1877 4.50 (# 1877:10 Double Ambig)
&rst
ixpk= 1877, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1185,1186,1188, 893,
igr2=1266, 792,
&end
#
# 81 GLU HG+ 82 VAL HN 5.50 (# 1878:10 Unique 3.96, 4.34 A)
&rst
ixpk= 1878, nxpk= 10, iat= -1,1266, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1258,1259,
&end
#
# 0 AMB 10-2:1879 52 MET HN 4.50 (# 1879:10 Single Ambig)
&rst
ixpk= 1879, nxpk= 10, iat= -1, 792, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 782, 737,
&end
#
# 84 ALA HN 82 VAL HN 5.50 (# 1880:10 Unique 3.94, 4.28 A)
&rst
ixpk= 1880, nxpk= 10, iat=1296,1266, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 85 LEU HN 82 VAL HN 5.50 (# 1881:10 Unique 4.71, 4.88 A)
&rst
ixpk= 1881, nxpk= 10, iat=1306,1266, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 GLY HN 52 MET HN 4.50 (# 1882:10 Unique 3.75, 4.28 A)
&rst
ixpk= 1882, nxpk= 10, iat= 773, 792, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 80 GLU HN 82 VAL HN 5.50 (# 1883:10 Unique 4.02, 4.37 A)
&rst
ixpk= 1883, nxpk= 10, iat=1236,1266, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1885 53 ALA HN 5.50 (# 1885:10 Single Ambig)
&rst
ixpk= 1885, nxpk= 10, iat= -1, 809, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1719,1720, 68, 69,
&end
#
# 51 ASP HB- 53 ALA HN 5.50 (# 1886:10 Unique 4.31, 5.27 A)
&rst
ixpk= 1886, nxpk= 10, iat= -1, 809, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 784, 785,
&end
#
# 0 AMB 10-2:1887 54 ASN HN 5.50 (# 1887:10 Single Ambig)
&rst
ixpk= 1887, nxpk= 10, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1722,1723, 796, 797,1603,
&end
#
# 111 PRO HD+ 54 ASN HN 5.50 (# 1888:10 Unique 3.99, 6.38 A)
&rst
ixpk= 1888, nxpk= 10, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1716,1717,
&end
#
# 0 AMB 10-2:1889 55 ARG HN 5.50 (# 1889:10 Single Ambig)
&rst
ixpk= 1889, nxpk= 10, iat= -1, 833, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1684,1685,1687,1688,1687,1688,
&end
#
# 112 LYS HN 55 ARG HN 5.50 (# 1890:10 Unique 3.45, 4.50 A)
&rst
ixpk= 1890, nxpk= 10, iat=1729, 833, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1891 56 ASP HN 5.50 (# 1891:10 Single Ambig)
&rst
ixpk= 1891, nxpk= 10, iat= -1, 857, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1= 895, 896, 897, 899, 900, 901, 73, 74, 75, 77,
78, 79, 51, 52, 53,
&end
#
# 0 AMB 10-2:1892 56 ASP HN 5.50 (# 1892:10 Single Ambig)
&rst
ixpk= 1892, nxpk= 10, iat= -1, 857, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 890, 891, 58, 59, 60,
&end
#
# 55 ARG HG+ 56 ASP HN 5.50 (# 1893:10 Unique 1.97, 4.15 A)
&rst
ixpk= 1893, nxpk= 10, iat= -1, 857, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 840, 841,
&end
#
# 0 AMB 10-2:1894 57 HIS HN 5.50 (# 1894:10 Single Ambig)
&rst
ixpk= 1894, nxpk= 10, iat= -1, 869, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70,
igr1= 51, 52, 53, 895, 896, 897, 899, 900, 901,1761,
1762,
&end
#
# 3 ILE MD1 57 HIS HN 5.50 (# 1895:10 Unique 4.46, 5.49 A)
&rst
ixpk= 1895, nxpk= 10, iat= -1, 869, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 58, 59, 60,
&end
#
# 3 ILE HG1+ 57 HIS HN 4.50 (# 1896:10 Unique 2.81, 3.90 A)
&rst
ixpk= 1896, nxpk= 10, iat= -1, 869, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 55, 56,
&end
#
# 55 ARG HG+ 57 HIS HN 5.50 (# 1897:10 Unique 2.85, 4.99 A)
&rst
ixpk= 1897, nxpk= 10, iat= -1, 869, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 840, 841,
&end
#
# 55 ARG HB+ 57 HIS HN 4.50 (# 1898:10 Unique 2.94, 4.23 A)
&rst
ixpk= 1898, nxpk= 10, iat= -1, 869, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 837, 838,
&end
#
# 0 AMB 10-2:1899 57 HIS HN 4.50 (# 1899:10 Single Ambig)
&rst
ixpk= 1899, nxpk= 10, iat= -1, 869, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 55, 56, 840, 841,
&end
#
# 0 AMB 10-2:1900 57 HIS HN 4.50 (# 1900:10 Single Ambig)
&rst
ixpk= 1900, nxpk= 10, iat= -1, 869, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 837, 838, 28, 29,
&end
#
# 0 AMB 10-2:1901 57 HIS HN 5.50 (# 1901:10 Single Ambig)
&rst
ixpk= 1901, nxpk= 10, iat= -1, 869, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 25, 26,1722,1723,1733,1734,
&end
#
# 56 ASP HB- 57 HIS HN 3.50 (# 1902:10 Unique 2.23, 2.94 A)
&rst
ixpk= 1902, nxpk= 10, iat= -1, 869, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 861, 862,
&end
#
# 56 ASP HB+ 57 HIS HN 4.50 (# 1903:10 Unique 2.23, 2.94 A)
&rst
ixpk= 1903, nxpk= 10, iat= -1, 869, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 861, 862,
&end
#
# 57 HIS HB- 57 HIS HN 4.50 (# 1904:10 Unique 2.53, 2.86 A)
&rst
ixpk= 1904, nxpk= 10, iat= -1, 869, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 873, 874,
&end
#
# 57 HIS HB+ 57 HIS HN 4.50 (# 1905:10 Unique 2.53, 2.86 A)
&rst
ixpk= 1905, nxpk= 10, iat= -1, 869, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 873, 874,
&end
#
# 56 ASP HA 57 HIS HN 5.50 (# 1906:10 Unique 3.54, 3.56 A)
&rst
ixpk= 1906, nxpk= 10, iat= 859, 869, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 ARG HA 57 HIS HN 4.50 (# 1907:10 Unique 3.92, 4.51 A)
&rst
ixpk= 1907, nxpk= 10, iat= 835, 869, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 57 HIS HA 57 HIS HN 4.50 (# 1908:10 Unique 2.92, 2.94 A)
&rst
ixpk= 1908, nxpk= 10, iat= 871, 869, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 LEU HN 57 HIS HN 5.50 (# 1909:10 Unique 4.00, 4.29 A)
&rst
ixpk= 1909, nxpk= 10, iat= 64, 869, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 113 LYS HN 58 LEU HN 5.50 (# 1910:10 Unique 3.83, 4.16 A)
&rst
ixpk= 1910, nxpk= 10, iat=1751, 886, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 ILE MD1 59 ILE HN 4.50 (# 1911:10 Unique 2.80, 4.25 A)
&rst
ixpk= 1911, nxpk= 10, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 918, 919, 920,
&end
#
# 59 ILE HG1+ 59 ILE HN 4.50 (# 1912:10 Unique 2.10, 3.44 A)
&rst
ixpk= 1912, nxpk= 10, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 915, 916,
&end
#
# 0 AMB 10-2:1913 59 ILE HN 3.50 (# 1913:10 Single Ambig)
&rst
ixpk= 1913, nxpk= 10, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 89, 90, 91, 93, 94, 95, 89, 90, 91, 93,
94, 95,
&end
#
# 58 LEU MDY 59 ILE HN 4.50 (# 1914:10 Unique 2.20, 4.21 A)
&rst
ixpk= 1914, nxpk= 10, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 895, 896, 897, 899, 900, 901,
&end
#
# 58 LEU HB- 59 ILE HN 4.50 (# 1915:10 Unique 3.66, 3.95 A)
&rst
ixpk= 1915, nxpk= 10, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 890, 891,
&end
#
# 0 AMB 10-2:1916 59 ILE HN 5.50 (# 1916:10 Single Ambig)
&rst
ixpk= 1916, nxpk= 10, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 631, 632, 55, 56,
&end
#
# 0 AMB 10-2:1917 59 ILE HN 5.50 (# 1917:10 Single Ambig)
&rst
ixpk= 1917, nxpk= 10, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70,
igr1=1719,1720, 840, 841,1777,1778, 947, 948, 949,1755,
1756,
&end
#
# 0 AMB 10-2:1918 59 ILE HN 4.50 (# 1918:10 Single Ambig)
&rst
ixpk= 1918, nxpk= 10, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 934, 935, 68, 69,1719,1720, 840, 841,
&end
#
# 0 AMB 10-2:1919 59 ILE HN 4.50 (# 1919:10 Single Ambig)
&rst
ixpk= 1919, nxpk= 10, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 87, 890, 891, 103, 104,
&end
#
# 5 VAL HA 59 ILE HN 4.50 (# 1920:10 Unique 1.86, 2.08 A)
&rst
ixpk= 1920, nxpk= 10, iat= 85, 905, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 59 ILE HA 59 ILE HN 4.50 (# 1921:10 Unique 2.92, 2.93 A)
&rst
ixpk= 1921, nxpk= 10, iat= 907, 905, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 LEU HN 59 ILE HN 5.50 (# 1922:10 Unique 3.89, 4.10 A)
&rst
ixpk= 1922, nxpk= 10, iat= 64, 905, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 LEU HN 59 ILE HN 5.50 (# 1923:10 Unique 4.34, 4.46 A)
&rst
ixpk= 1923, nxpk= 10, iat= 886, 905, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 6 LEU HN 59 ILE HN 5.50 (# 1924:10 Unique 2.63, 2.97 A)
&rst
ixpk= 1924, nxpk= 10, iat= 99, 905, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 ILE MD1 60 ILE HN 5.50 (# 1925:10 Unique 4.67, 6.47 A)
&rst
ixpk= 1925, nxpk= 10, iat= -1, 924, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 918, 919, 920,
&end
#
# 0 AMB 10-2:1926 60 ILE HN 5.50 (# 1926:10 Single Ambig)
&rst
ixpk= 1926, nxpk= 10, iat= -1, 924, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1777,1778, 106,1719,1720,2291,2292,2293,
&end
#
# 0 AMB 10-2:1927 60 ILE HN 5.50 (# 1927:10 Single Ambig)
&rst
ixpk= 1927, nxpk= 10, iat= -1, 924, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 103, 104, 890, 891,1829,
&end
#
# 0 AMB 10-2:1928 61 ALA HN 5.50 (# 1928:10 Single Ambig)
&rst
ixpk= 1928, nxpk= 10, iat= -1, 943, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 955, 907,
&end
#
# 0 AMB 10-2:1929 62 ASP HN 4.50 (# 1929:10 Single Ambig)
&rst
ixpk= 1929, nxpk= 10, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 276, 277, 278, 985, 986,
&end
#
# 0 AMB 10-2:1930 0 AMB 10-1:1930 5.50 (# 1930:10 Double Ambig)
&rst
ixpk= 1930, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1600,1601, 280, 281, 280, 281,
igr2=1680, 953,
&end
#
# 0 AMB 10-2:1931 0 AMB 10-1:1931 5.50 (# 1931:10 Double Ambig)
&rst
ixpk= 1931, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1813,1622,1623,1506,1185,1186,
igr2= 953,1680,
&end
#
# 0 AMB 10-2:1932 62 ASP HN 5.50 (# 1932:10 Single Ambig)
&rst
ixpk= 1932, nxpk= 10, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 928, 979,1149,1150,
&end
#
# 0 AMB 10-2:1933 0 AMB 10-1:1933 4.50 (# 1933:10 Double Ambig)
&rst
ixpk= 1933, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1=1829, 346, 347,1619,1620,1716,1717,
igr2= 953,1680,
&end
#
# 62 ASP HB- 62 ASP HN 2.80 (# 1934:10 Unique 2.89, 3.33 A)
&rst
ixpk= 1934, nxpk= 10, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 957, 958,
&end
#
# 0 AMB 10-2:1935 62 ASP HN 4.50 (# 1935:10 Single Ambig)
&rst
ixpk= 1935, nxpk= 10, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1843,1844, 120, 121,
&end
#
# 19 GLY HA- 62 ASP HN 5.50 (# 1936:10 Unique 3.53, 3.90 A)
&rst
ixpk= 1936, nxpk= 10, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 291, 292,
&end
#
# 0 AMB 10-2:1937 0 AMB 10-1:1937 4.50 (# 1937:10 Double Ambig)
&rst
ixpk= 1937, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1661, 291, 292,
igr2=1680, 953,
&end
#
# 119 VAL HN 62 ASP HN 5.50 (# 1938:10 Unique 3.84, 4.21 A)
&rst
ixpk= 1938, nxpk= 10, iat=1848, 953, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1939 62 ASP HN 4.50 (# 1939:10 Single Ambig)
&rst
ixpk= 1939, nxpk= 10, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 965,1841,
&end
#
# 117 VAL HN 62 ASP HN 5.50 (# 1940:10 Unique 3.65, 3.79 A)
&rst
ixpk= 1940, nxpk= 10, iat=1825, 953, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1941 63 ALA HN 5.50 (# 1941:10 Single Ambig)
&rst
ixpk= 1941, nxpk= 10, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1854,1855,1856,1858,1859,1860, 988, 989, 990, 349,
350, 351,
&end
#
# 0 AMB 10-2:1942 64 ILE HN 3.50 (# 1942:10 Single Ambig)
&rst
ixpk= 1942, nxpk= 10, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1877,1878,1879,1854,1855,1856,1858,1859,1860, 981,
982, 983,
&end
#
# 121 PRO HD+ 64 ILE HN 4.50 (# 1943:10 Unique 2.58, 3.82 A)
&rst
ixpk= 1943, nxpk= 10, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1884,1885,
&end
#
# 64 ILE HA 64 ILE HN 4.50 (# 1944:10 Unique 2.80, 2.88 A)
&rst
ixpk= 1944, nxpk= 10, iat= 977, 975, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 119 VAL HA 64 ILE HN 5.50 (# 1945:10 Unique 4.11, 4.39 A)
&rst
ixpk= 1945, nxpk= 10, iat=1850, 975, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 VAL HN 64 ILE HN 5.50 (# 1946:10 Unique 2.23, 2.47 A)
&rst
ixpk= 1946, nxpk= 10, iat= 994, 975, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1947 64 ILE HN 5.50 (# 1947:10 Single Ambig)
&rst
ixpk= 1947, nxpk= 10, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 965,1841,
&end
#
# 0 AMB 10-2:1948 65 VAL HN 3.50 (# 1948:10 Single Ambig)
&rst
ixpk= 1948, nxpk= 10, iat= -1, 994, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 981, 982, 983,1877,1878,1879,
&end
#
# 0 AMB 10-2:1949 65 VAL HN 5.50 (# 1949:10 Single Ambig)
&rst
ixpk= 1949, nxpk= 10, iat= -1, 994, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1012,1023, 143, 144,
&end
#
# 121 PRO HA 65 VAL HN 5.50 (# 1950:10 Unique 5.51, 5.70 A)
&rst
ixpk= 1950, nxpk= 10, iat=1893, 994, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 120 ILE HA 65 VAL HN 5.50 (# 1951:10 Unique 2.67, 2.91 A)
&rst
ixpk= 1951, nxpk= 10, iat=1866, 994, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 ILE MG2 66 SER HN 3.50 (# 1952:10 Unique 1.93, 3.70 A)
&rst
ixpk= 1952, nxpk= 10, iat= -1,1010, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 981, 982, 983,
&end
#
# 120 ILE MG2 66 SER HN 4.50 (# 1953:10 Unique 2.10, 4.34 A)
&rst
ixpk= 1953, nxpk= 10, iat= -1,1010, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1870,1871,1872,
&end
#
# 65 VAL HB 66 SER HN 5.50 (# 1954:10 Unique 4.08, 4.31 A)
&rst
ixpk= 1954, nxpk= 10, iat= 998,1010, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 SER HB- 66 SER HN 4.50 (# 1955:10 Unique 2.71, 3.45 A)
&rst
ixpk= 1955, nxpk= 10, iat= -1,1010, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1014,1015,
&end
#
# 66 SER HB+ 66 SER HN 4.50 (# 1956:10 Unique 2.71, 3.45 A)
&rst
ixpk= 1956, nxpk= 10, iat= -1,1010, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1014,1015,
&end
#
# 0 AMB 10-2:1957 66 SER HN 5.50 (# 1957:10 Single Ambig)
&rst
ixpk= 1957, nxpk= 10, iat= -1,1010, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 977,1045,
&end
#
# 120 ILE HA 66 SER HN 5.50 (# 1958:10 Unique 3.11, 4.29 A)
&rst
ixpk= 1958, nxpk= 10, iat=1866,1010, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1959 69 ASN HN 5.50 (# 1959:10 Single Ambig)
&rst
ixpk= 1959, nxpk= 10, iat= -1,1065, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1023,1012,
&end
#
# 0 AMB 10-2:1962 73 THR HN 5.50 (# 1962:10 Single Ambig)
&rst
ixpk= 1962, nxpk= 10, iat= -1,1114, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1069,1070,1152,1153,2171,2172,
&end
#
# 71 PRO HA 73 THR HN 3.50 (# 1963:10 Unique 3.52, 3.65 A)
&rst
ixpk= 1963, nxpk= 10, iat=1103,1114, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1964 74 MET HN 5.50 (# 1964:10 Single Ambig)
&rst
ixpk= 1964, nxpk= 10, iat= -1,1128, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1854,1855,1856,1858,1859,1860, 988, 989, 990, 349,
350, 351,
&end
#
# 0 AMB 10-2:1965 74 MET HN 5.50 (# 1965:10 Single Ambig)
&rst
ixpk= 1965, nxpk= 10, iat= -1,1128, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1831,1832,1833,1835,1836,1837,1175,1176,1177,
&end
#
# 0 AMB 10-2:1966 74 MET HN 5.50 (# 1966:10 Single Ambig)
&rst
ixpk= 1966, nxpk= 10, iat= -1,1128, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1874,1875,1874,1875,1172,1173,
&end
#
# 119 VAL HA 74 MET HN 5.50 (# 1967:10 Unique 4.38, 4.62 A)
&rst
ixpk= 1967, nxpk= 10, iat=1850,1128, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 MET HN 74 MET HN 5.50 (# 1969:10 Unique 4.48, 4.56 A)
&rst
ixpk= 1969, nxpk= 10, iat=1145,1128, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 118 GLY HA+ 75 MET HN 5.50 (# 1970:10 Unique 3.79, 4.36 A)
&rst
ixpk= 1970, nxpk= 10, iat= -1,1145, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1843,1844,
&end
#
# 120 ILE HN 75 MET HN 5.50 (# 1971:10 Unique 4.67, 5.18 A)
&rst
ixpk= 1971, nxpk= 10, iat=1864,1145, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 ILE MD1 76 ILE HN 3.50 (# 1972:10 Unique 2.54, 3.73 A)
&rst
ixpk= 1972, nxpk= 10, iat= -1,1162, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1175,1176,1177,
&end
#
# 0 AMB 10-2:1973 76 ILE HN 5.50 (# 1973:10 Single Ambig)
&rst
ixpk= 1973, nxpk= 10, iat= -1,1162, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1120,1121,1122,1798,1799,1800,
&end
#
# 116 LEU HB- 78 ARG HN 5.50 (# 1974:10 Unique 5.58, 6.44 A)
&rst
ixpk= 1974, nxpk= 10, iat= -1,1200, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1810,1811,
&end
#
# 0 AMB 10-2:1975 78 ARG HN 3.50 (# 1975:10 Single Ambig)
&rst
ixpk= 1975, nxpk= 10, iat= -1,1200, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1185,1186,1188,
&end
#
# 79 ASP HN 78 ARG HN 5.50 (# 1976:10 Unique 4.55, 4.58 A)
&rst
ixpk= 1976, nxpk= 10, iat=1224,1200, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1977 79 ASP HN 5.50 (# 1977:10 Single Ambig)
&rst
ixpk= 1977, nxpk= 10, iat= -1,1224, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1782,1783,1784,1786,1787,1788,1782,1783,1784,1786,
1787,1788,
&end
#
# 0 AMB 10-2:1978 79 ASP HN 5.50 (# 1978:10 Single Ambig)
&rst
ixpk= 1978, nxpk= 10, iat= -1,1224, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1758,1759,1777,1778,1755,1756,
&end
#
# 0 AMB 10-2:1979 79 ASP HN 5.50 (# 1979:10 Single Ambig)
&rst
ixpk= 1979, nxpk= 10, iat= -1,1224, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1780,1185,1186,
&end
#
# 78 ARG HB- 79 ASP HN 5.50 (# 1980:10 Unique 2.38, 3.16 A)
&rst
ixpk= 1980, nxpk= 10, iat= -1,1224, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1204,1205,
&end
#
# 78 ARG HB+ 79 ASP HN 4.50 (# 1981:10 Unique 2.38, 3.16 A)
&rst
ixpk= 1981, nxpk= 10, iat= -1,1224, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1204,1205,
&end
#
# 79 ASP HA 79 ASP HN 3.50 (# 1982:10 Unique 2.75, 2.76 A)
&rst
ixpk= 1982, nxpk= 10, iat=1226,1224, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 78 ARG HA 79 ASP HN 3.50 (# 1983:10 Unique 2.38, 2.46 A)
&rst
ixpk= 1983, nxpk= 10, iat=1202,1224, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 114 LEU HN 79 ASP HN 5.50 (# 1984:10 Unique 3.64, 3.91 A)
&rst
ixpk= 1984, nxpk= 10, iat=1773,1224, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 78 ARG HB- 80 GLU HN 5.50 (# 1985:10 Unique 2.52, 3.25 A)
&rst
ixpk= 1985, nxpk= 10, iat= -1,1236, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1204,1205,
&end
#
# 83 PRO HD- 81 GLU HN 5.50 (# 1988:10 Unique 2.66, 3.47 A)
&rst
ixpk= 1988, nxpk= 10, iat= -1,1251, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1283,1284,
&end
#
# 79 ASP HA 81 GLU HN 5.50 (# 1989:10 Unique 3.78, 3.83 A)
&rst
ixpk= 1989, nxpk= 10, iat=1226,1251, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 LEU HA 81 GLU HN 5.50 (# 1990:10 Unique 5.08, 5.21 A)
&rst
ixpk= 1990, nxpk= 10, iat=1183,1251, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 82 VAL HN 84 ALA HN 5.50 (# 1991:10 Unique 3.94, 4.28 A)
&rst
ixpk= 1991, nxpk= 10, iat=1266,1296, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 83 PRO HG- 85 LEU HN 5.50 (# 1992:10 Unique 4.49, 5.29 A)
&rst
ixpk= 1992, nxpk= 10, iat= -1,1306, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1286,1287,
&end
#
# 0 AMB 10-2:1993 85 LEU HN 5.50 (# 1993:10 Single Ambig)
&rst
ixpk= 1993, nxpk= 10, iat= -1,1306, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1255,1256,1289,1290,
&end
#
# 86 PHE HA 85 LEU HN 5.50 (# 1994:10 Unique 5.01, 5.09 A)
&rst
ixpk= 1994, nxpk= 10, iat=1327,1306, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 82 VAL HN 85 LEU HN 5.50 (# 1997:10 Unique 4.71, 4.88 A)
&rst
ixpk= 1997, nxpk= 10, iat=1266,1306, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 THR MG2 86 PHE HN 5.50 (# 1998:10 Unique 3.60, 4.82 A)
&rst
ixpk= 1998, nxpk= 10, iat= -1,1325, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1351,1352,1353,
&end
#
# 85 LEU HA 86 PHE HN 4.50 (# 1999:10 Unique 3.54, 3.56 A)
&rst
ixpk= 1999, nxpk= 10, iat=1308,1325, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 84 ALA HN 86 PHE HN 5.50 (# 2000:10 Unique 4.17, 4.51 A)
&rst
ixpk= 2000, nxpk= 10, iat=1296,1325, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:2001 87 THR HN 5.50 (# 2001:10 Single Ambig)
&rst
ixpk= 2001, nxpk= 10, iat= -1,1345, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1190,1191,1192,1194,1195,1196,1482,1483,1484,1486,
1487,1488,
&end
#
# 87 THR MG2 88 ASN HN 5.50 (# 2002:10 Unique 3.87, 4.85 A)
&rst
ixpk= 2002, nxpk= 10, iat= -1,1359, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1351,1352,1353,
&end
#
# 0 AMB 10-2:2003 88 ASN HN 4.50 (# 2003:10 Single Ambig)
&rst
ixpk= 2003, nxpk= 10, iat= -1,1359, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1363,1364,1363,1364,
&end
#
# 87 THR HB 88 ASN HN 5.50 (# 2004:10 Unique 1.99, 3.63 A)
&rst
ixpk= 2004, nxpk= 10, iat=1349,1359, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 THR HN 88 ASN HN 5.50 (# 2005:10 Unique 2.66, 3.60 A)
&rst
ixpk= 2005, nxpk= 10, iat=1345,1359, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 89 LYS HB+ 89 LYS HN 5.50 (# 2006:10 Unique 2.09, 3.38 A)
&rst
ixpk= 2006, nxpk= 10, iat= -1,1373, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1377,1378,
&end
#
# 90 ILE MG2 91 SER HN 3.50 (# 2007:10 Unique 2.39, 4.09 A)
&rst
ixpk= 2007, nxpk= 10, iat= -1,1414, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1401,1402,1403,
&end
#
# 0 AMB 10-2:2008 91 SER HN 4.50 (# 2008:10 Single Ambig)
&rst
ixpk= 2008, nxpk= 10, iat= -1,1414, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1014,1015,1426,1427,
&end
#
# 0 AMB 10-2:2009 91 SER HN 5.50 (# 2009:10 Single Ambig)
&rst
ixpk= 2009, nxpk= 10, iat= -1,1414, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1375,1435,
&end
#
# 95 LEU MDX 95 LEU HN 4.50 (# 2010:10 Unique 2.09, 4.71 A)
&rst
ixpk= 2010, nxpk= 10, iat= -1,1473, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1482,1483,1484,1486,1487,1488,
&end
#
# 0 AMB 10-2:2012 95 LEU HN 4.50 (# 2012:10 Single Ambig)
&rst
ixpk= 2012, nxpk= 10, iat= -1,1473, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1460,1461,1432,1433,
&end
#
# 94 GLN HB- 95 LEU HN 4.50 (# 2013:10 Unique 3.11, 3.89 A)
&rst
ixpk= 2013, nxpk= 10, iat= -1,1473, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1460,1461,
&end
#
# 0 AMB 10-2:2014 95 LEU HN 4.50 (# 2014:10 Single Ambig)
&rst
ixpk= 2014, nxpk= 10, iat= -1,1473, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1418,1419,1418,1419,
&end
#
# 92 PRO HA 95 LEU HN 5.50 (# 2015:10 Unique 2.63, 3.30 A)
&rst
ixpk= 2015, nxpk= 10, iat=1435,1473, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 94 GLN HN 95 LEU HN 3.50 (# 2016:10 Unique 1.78, 2.47 A)
&rst
ixpk= 2016, nxpk= 10, iat=1456,1473, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 96 GLY HN 95 LEU HN 4.50 (# 2017:10 Unique 2.94, 3.00 A)
&rst
ixpk= 2017, nxpk= 10, iat=1492,1473, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:2018 97 LEU HN 4.50 (# 2018:10 Single Ambig)
&rst
ixpk= 2018, nxpk= 10, iat= -1,1499, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1508,1509,1510,1512,1513,1514,1508,1509,1510,1512,
1513,1514,
&end
#
# 0 AMB 10-2:2019 97 LEU HN 5.50 (# 2019:10 Single Ambig)
&rst
ixpk= 2019, nxpk= 10, iat= -1,1499, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1482,1483,1484,1486,1487,1488, 131, 132, 133, 135,
136, 137, 131, 132, 133, 135, 136, 137, 744, 745,
746, 748, 749, 750,
&end
#
# 97 LEU HB+ 97 LEU HN 3.50 (# 2020:10 Unique 2.05, 2.62 A)
&rst
ixpk= 2020, nxpk= 10, iat= -1,1499, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1503,1504,
&end
#
# 0 AMB 10-2:2021 97 LEU HN 4.50 (# 2021:10 Single Ambig)
&rst
ixpk= 2021, nxpk= 10, iat= -1,1499, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1506,1522,1523,1524,
&end
#
# 0 AMB 10-2:2022 97 LEU HN 5.50 (# 2022:10 Single Ambig)
&rst
ixpk= 2022, nxpk= 10, iat= -1,1499, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1528,1540,
&end
#
# 0 AMB 10-2:2023 98 ALA HN 5.50 (# 2023:10 Single Ambig)
&rst
ixpk= 2023, nxpk= 10, iat= -1,1518, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1508,1509,1510,1512,1513,1514,1508,1509,1510,1512,
1513,1514,
&end
#
# 0 AMB 10-2:2024 98 ALA HN 4.50 (# 2024:10 Single Ambig)
&rst
ixpk= 2024, nxpk= 10, iat= -1,1518, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1482,1483,1484,1486,1487,1488, 131, 132, 133, 135,
136, 137, 131, 132, 133, 135, 136, 137, 744, 745,
746, 748, 749, 750,
&end
#
# 0 AMB 10-2:2025 98 ALA HN 5.50 (# 2025:10 Single Ambig)
&rst
ixpk= 2025, nxpk= 10, iat= -1,1518, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1565,1566,1567,1569,1570,1571,1315,1316,1317,1319,
1320,1321,
&end
#
# 97 LEU HB+ 98 ALA HN 4.50 (# 2026:10 Unique 2.39, 3.07 A)
&rst
ixpk= 2026, nxpk= 10, iat= -1,1518, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1503,1504,
&end
#
# 0 AMB 10-2:2027 98 ALA HN 5.50 (# 2027:10 Single Ambig)
&rst
ixpk= 2027, nxpk= 10, iat= -1,1518, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1329,1330,1532,1533,
&end
#
# 86 PHE HB+ 98 ALA HN 5.50 (# 2028:10 Unique 3.41, 4.34 A)
&rst
ixpk= 2028, nxpk= 10, iat= -1,1518, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1329,1330,
&end
#
# 0 AMB 10-2:2029 98 ALA HN 4.50 (# 2029:10 Single Ambig)
&rst
ixpk= 2029, nxpk= 10, iat= -1,1518, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1475, 705,
&end
#
# 97 LEU HN 98 ALA HN 3.50 (# 2031:10 Unique 2.80, 2.86 A)
&rst
ixpk= 2031, nxpk= 10, iat=1499,1518, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:2032 99 ASP HN 5.50 (# 2032:10 Single Ambig)
&rst
ixpk= 2032, nxpk= 10, iat= -1,1528, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1477,1478,1480,1383,1384, 803, 804, 805,
&end
#
# 100 VAL HA 99 ASP HN 5.50 (# 2033:10 Unique 5.21, 5.29 A)
&rst
ixpk= 2033, nxpk= 10, iat=1542,1528, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 95 LEU HA 99 ASP HN 5.50 (# 2034:10 Unique 3.98, 4.12 A)
&rst
ixpk= 2034, nxpk= 10, iat=1475,1528, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 97 LEU HN 100 VAL HN 5.50 (# 2037:10 Unique 4.80, 4.85 A)
&rst
ixpk= 2037, nxpk= 10, iat=1499,1540, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 101 LEU MDX 102 SER HN 5.50 (# 2039:10 Unique 4.69, 5.49 A)
&rst
ixpk= 2039, nxpk= 10, iat= -1,1575, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1565,1566,1567,1569,1570,1571,
&end
#
# 101 LEU MDY 102 SER HN 5.50 (# 2040:10 Unique 4.69, 5.49 A)
&rst
ixpk= 2040, nxpk= 10, iat= -1,1575, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1565,1566,1567,1569,1570,1571,
&end
#
# 0 AMB 10-2:2041 102 SER HN 5.50 (# 2041:10 Single Ambig)
&rst
ixpk= 2041, nxpk= 10, iat= -1,1575, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1546,1547,1548,1550,1551,1552,1546,1547,1548,1550,
1551,1552,
&end
#
# 101 LEU HB- 102 SER HN 3.50 (# 2042:10 Unique 2.70, 2.93 A)
&rst
ixpk= 2042, nxpk= 10, iat= -1,1575, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1560,1561,
&end
#
# 0 AMB 10-2:2043 102 SER HN 5.50 (# 2043:10 Single Ambig)
&rst
ixpk= 2043, nxpk= 10, iat= -1,1575, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1563, 758, 759,
&end
#
# 101 LEU HB+ 102 SER HN 3.50 (# 2044:10 Unique 2.70, 2.93 A)
&rst
ixpk= 2044, nxpk= 10, iat= -1,1575, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1560,1561,
&end
#
# 99 ASP HA 102 SER HN 4.50 (# 2045:10 Unique 3.40, 3.50 A)
&rst
ixpk= 2045, nxpk= 10, iat=1530,1575, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 104 LEU MDX 103 ALA HN 5.50 (# 2046:10 Unique 5.12, 6.89 A)
&rst
ixpk= 2046, nxpk= 10, iat= -1,1586, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1605,1606,1607,1609,1610,1611,
&end
#
# 104 LEU HB+ 103 ALA HN 5.50 (# 2047:10 Unique 4.17, 4.89 A)
&rst
ixpk= 2047, nxpk= 10, iat= -1,1586, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1600,1601,
&end
#
# 99 ASP HB- 103 ALA HN 5.50 (# 2048:10 Unique 4.53, 5.61 A)
&rst
ixpk= 2048, nxpk= 10, iat= -1,1586, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1532,1533,
&end
#
# 0 AMB 10-2:2049 104 LEU HN 5.50 (# 2049:10 Single Ambig)
&rst
ixpk= 2049, nxpk= 10, iat= -1,1596, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 758, 759,1684,1685,
&end
#
# 110 PHE HD 104 LEU HN 5.50 (# 2050:10 Unique 4.57, 6.84 A)
&rst
ixpk= 2050, nxpk= 10, iat= -1,1596, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1703,1711,
&end
#
# 104 LEU MDY 105 ARG HN 4.50 (# 2051:10 Unique 4.25, 5.55 A)
&rst
ixpk= 2051, nxpk= 10, iat= -1,1615, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1605,1606,1607,1609,1610,1611,
&end
#
# 104 LEU HB- 105 ARG HN 4.50 (# 2052:10 Unique 2.29, 2.97 A)
&rst
ixpk= 2052, nxpk= 10, iat= -1,1615, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1600,1601,
&end
#
# 103 ALA MB 105 ARG HN 5.50 (# 2053:10 Unique 5.02, 5.65 A)
&rst
ixpk= 2053, nxpk= 10, iat= -1,1615, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1590,1591,1592,
&end
#
# 0 AMB 10-2:2054 105 ARG HN 5.50 (# 2054:10 Single Ambig)
&rst
ixpk= 2054, nxpk= 10, iat= -1,1615, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1603,1289,1290,
&end
#
# 104 LEU HB+ 105 ARG HN 3.50 (# 2055:10 Unique 2.29, 2.97 A)
&rst
ixpk= 2055, nxpk= 10, iat= -1,1615, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1600,1601,
&end
#
# 0 AMB 10-2:2056 105 ARG HN 5.50 (# 2056:10 Single Ambig)
&rst
ixpk= 2056, nxpk= 10, iat= -1,1615, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1625,1626,1625,1626,1699,1700,
&end
#
# 102 SER HA 105 ARG HN 4.50 (# 2057:10 Unique 3.45, 3.84 A)
&rst
ixpk= 2057, nxpk= 10, iat=1577,1615, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 110 PHE HD 105 ARG HN 3.50 (# 2058:10 Unique 2.70, 4.88 A)
&rst
ixpk= 2058, nxpk= 10, iat= -1,1615, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1703,1711,
&end
#
# 104 LEU HN 105 ARG HN 3.50 (# 2059:10 Unique 2.40, 2.74 A)
&rst
ixpk= 2059, nxpk= 10, iat=1596,1615, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 104 LEU HN 106 PHE HN 5.50 (# 2060:10 Unique 3.65, 3.87 A)
&rst
ixpk= 2060, nxpk= 10, iat=1596,1639, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:2061 0 AMB 10-1:2061 5.50 (# 2061:10 Double Ambig)
&rst
ixpk= 2061, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1619,1620, 739, 740,
igr2=1659, 141,
&end
#
# 43 THR HN 9 GLY HN 5.50 (# 2062:10 Unique 2.49, 2.83 A)
&rst
ixpk= 2062, nxpk= 10, iat= 672, 141, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 110 PHE HB+ 109 GLU HN 5.50 (# 2063:10 Unique 3.62, 5.07 A)
&rst
ixpk= 2063, nxpk= 10, iat= -1,1680, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1699,1700,
&end
#
# 110 PHE HB- 109 GLU HN 5.50 (# 2064:10 Unique 3.62, 5.07 A)
&rst
ixpk= 2064, nxpk= 10, iat= -1,1680, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1699,1700,
&end
#
# 108 GLY HA+ 109 GLU HN 4.50 (# 2065:10 Unique 2.60, 3.25 A)
&rst
ixpk= 2065, nxpk= 10, iat= -1,1680, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1675,1676,
&end
#
# 107 THR HB 109 GLU HN 5.50 (# 2066:10 Unique 4.30, 4.61 A)
&rst
ixpk= 2066, nxpk= 10, iat=1663,1680, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:2069 110 PHE HN 5.50 (# 2069:10 Single Ambig)
&rst
ixpk= 2069, nxpk= 10, iat= -1,1695, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 821,1663,1641,
&end
#
# 58 LEU HB- 113 LYS HN 5.50 (# 2070:10 Unique 4.97, 5.70 A)
&rst
ixpk= 2070, nxpk= 10, iat= -1,1751, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 890, 891,
&end
#
# 114 LEU HG 114 LEU HN 5.50 (# 2071:10 Unique 3.73, 3.87 A)
&rst
ixpk= 2071, nxpk= 10, iat=1780,1773, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:2072 115 THR HN 5.50 (# 2072:10 Single Ambig)
&rst
ixpk= 2072, nxpk= 10, iat= -1,1792, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1= 934, 935,1719,1720, 803, 804, 805,
&end
#
# 59 ILE HA 0 AMB 10-1:2073 5.50 (# 2073:10 Single Ambig)
&rst
ixpk= 2073, nxpk= 10, iat= 907, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 99,1806,
&end
#
# 119 VAL HA 119 VAL HN 4.50 (# 2074:10 Unique 2.94, 2.95 A)
&rst
ixpk= 2074, nxpk= 10, iat=1850,1848, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 74 MET HA 119 VAL HN 5.50 (# 2075:10 Unique 4.46, 4.65 A)
&rst
ixpk= 2075, nxpk= 10, iat=1130,1848, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:2076 120 ILE HN 4.50 (# 2076:10 Single Ambig)
&rst
ixpk= 2076, nxpk= 10, iat= -1,1864, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1854,1855,1856,1858,1859,1860, 988, 989, 990,
&end
#
# 73 THR MG2 120 ILE HN 5.50 (# 2078:10 Unique 3.35, 4.49 A)
&rst
ixpk= 2078, nxpk= 10, iat= -1,1864, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1120,1121,1122,
&end
#
# 119 VAL HB 120 ILE HN 5.50 (# 2079:10 Unique 3.05, 3.26 A)
&rst
ixpk= 2079, nxpk= 10, iat=1852,1864, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 PRO HA 120 ILE HN 5.50 (# 2080:10 Unique 4.77, 4.99 A)
&rst
ixpk= 2080, nxpk= 10, iat=1103,1864, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 MET HN 120 ILE HN 5.50 (# 2081:10 Unique 4.67, 5.18 A)
&rst
ixpk= 2081, nxpk= 10, iat=1145,1864, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:2082 122 GLU HN 5.50 (# 2082:10 Single Ambig)
&rst
ixpk= 2082, nxpk= 10, iat= -1,1897, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1=1854,1855,1856,1858,1859,1860,2023,2024,2025,2027,
2028,2029, 283, 284, 285,
&end
#
# 0 AMB 10-2:2083 124 LEU HN 5.50 (# 2083:10 Single Ambig)
&rst
ixpk= 2083, nxpk= 10, iat= -1,1923, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1890,1891,1901,1902,
&end
#
# 0 AMB 10-2:2084 125 GLU HN 5.50 (# 2084:10 Single Ambig)
&rst
ixpk= 2084, nxpk= 10, iat= -1,1942, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1904,1905,1964,1965,
&end
#
# 0 AMB 10-2:2085 125 GLU HN 5.50 (# 2085:10 Single Ambig)
&rst
ixpk= 2085, nxpk= 10, iat= -1,1942, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1890,1891,1901,1902,
&end
#
# 0 AMB 10-2:2086 125 GLU HN 5.50 (# 2086:10 Single Ambig)
&rst
ixpk= 2086, nxpk= 10, iat= -1,1942, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 237, 238,1975,1976,
&end
#
# 12 LEU HA 128 ILE HN 5.50 (# 2087:10 Unique 3.00, 4.13 A)
&rst
ixpk= 2087, nxpk= 10, iat= 183,1988, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 ASP HA 130 LEU HN 5.50 (# 2092:10 Unique 4.39, 5.50 A)
&rst
ixpk= 2092, nxpk= 10, iat= 235,2014, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 135 GLU HN 131 THR HN 5.50 (# 2093:10 Unique 2.72, 3.44 A)
&rst
ixpk= 2093, nxpk= 10, iat=2091,2033, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 GLY HA+ 133 THR HN 5.50 (# 2094:10 Unique 6.07, 6.53 A)
&rst
ixpk= 2094, nxpk= 10, iat= -1,2061, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1109,1110,
&end
#
# 130 LEU HB+ 134 VAL HN 5.50 (# 2095:10 Unique 4.14, 5.12 A)
&rst
ixpk= 2095, nxpk= 10, iat= -1,2075, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2018,2019,
&end
#
# 132 PRO HB+ 134 VAL HN 5.50 (# 2096:10 Unique 5.37, 5.98 A)
&rst
ixpk= 2096, nxpk= 10, iat= -1,2075, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2054,2055,
&end
#
# 122 GLU HB+ 134 VAL HN 5.50 (# 2097:10 Unique 3.44, 3.93 A)
&rst
ixpk= 2097, nxpk= 10, iat= -1,2075, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1901,1902,
&end
#
# 131 THR HN 134 VAL HN 5.50 (# 2098:10 Unique 3.20, 3.61 A)
&rst
ixpk= 2098, nxpk= 10, iat=2033,2075, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:2099 135 GLU HN 5.50 (# 2099:10 Single Ambig)
&rst
ixpk= 2099, nxpk= 10, iat= -1,2091, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2108,1109,1110,
&end
#
# 131 THR HA 135 GLU HN 5.50 (# 2100:10 Unique 4.40, 4.61 A)
&rst
ixpk= 2100, nxpk= 10, iat=2035,2091, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 130 LEU HB+ 136 ALA HN 5.50 (# 2102:10 Unique 4.64, 5.25 A)
&rst
ixpk= 2102, nxpk= 10, iat= -1,2106, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2018,2019,
&end
#
# 0 AMB 10-2:2103 136 ALA HN 5.50 (# 2103:10 Single Ambig)
&rst
ixpk= 2103, nxpk= 10, iat= -1,2106, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=2143,2144,2021,1901,1902,
&end
#
# 0 AMB 10-2:2107 138 ILE HN 4.50 (# 2107:10 Single Ambig)
&rst
ixpk= 2107, nxpk= 10, iat= -1,2133, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=2023,2024,2025,2027,2028,2029,2081,2082,2083,2085,
2086,2087, 276, 277, 278,
&end
#
# 141 ALA MB 138 ILE HN 5.50 (# 2108:10 Unique 4.53, 5.35 A)
&rst
ixpk= 2108, nxpk= 10, iat= -1,2133, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2185,2186,2187,
&end
#
# 138 ILE HG1+ 138 ILE HN 2.80 (# 2109:10 Unique 2.05, 2.97 A)
&rst
ixpk= 2109, nxpk= 10, iat= -1,2133, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2143,2144,
&end
#
# 137 MET HG+ 138 ILE HN 5.50 (# 2110:10 Unique 3.75, 4.83 A)
&rst
ixpk= 2110, nxpk= 10, iat= -1,2133, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2123,2124,
&end
#
# 140 PRO HD- 138 ILE HN 4.50 (# 2111:10 Unique 3.25, 4.06 A)
&rst
ixpk= 2111, nxpk= 10, iat= -1,2133, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2168,2169,
&end
#
# 141 ALA MB 139 GLU HN 5.50 (# 2112:10 Unique 4.85, 5.82 A)
&rst
ixpk= 2112, nxpk= 10, iat= -1,2152, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2185,2186,2187,
&end
#
# 0 AMB 10-2:2113 139 GLU HN 5.50 (# 2113:10 Single Ambig)
&rst
ixpk= 2113, nxpk= 10, iat= -1,2152, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2110,2111,2112, 390, 391, 392,
&end
#
# 140 PRO HA 139 GLU HN 5.50 (# 2114:10 Unique 5.39, 5.47 A)
&rst
ixpk= 2114, nxpk= 10, iat=2177,2152, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:2115 142 LEU HN 4.50 (# 2115:10 Single Ambig)
&rst
ixpk= 2115, nxpk= 10, iat= -1,2191, r1= 1.30, r2= 1.80, r3= 7.22, r4= 7.72,
igr1=2139,2140,2141,2248,2249,2250,2252,2253,2254, 405,
406, 407, 409, 410, 411,2143,2144,
&end
#
# 0 AMB 10-2:2116 142 LEU HN 5.50 (# 2116:10 Single Ambig)
&rst
ixpk= 2116, nxpk= 10, iat= -1,2191, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 390, 391, 392, 454, 455, 403,2281,2282,2283,
&end
#
# 140 PRO HA 142 LEU HN 5.50 (# 2117:10 Unique 4.67, 4.74 A)
&rst
ixpk= 2117, nxpk= 10, iat=2177,2191, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 146 LEU MDX 0 AMB 10-1:2118 5.50 (# 2118:10 Single Ambig)
&rst
ixpk= 2118, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2267,2268,2269,2271,2272,2273,
igr2=2210,2297,
&end
#
# 0 AMB 10-2:2119 143 GLU HN 4.50 (# 2119:10 Single Ambig)
&rst
ixpk= 2119, nxpk= 10, iat= -1,2210, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1=2200,2201,2202,2204,2205,2206,2200,2201,2202,2204,
2205,2206, 346, 347,
&end
#
# 0 AMB 10-2:2120 0 AMB 10-1:2120 5.50 (# 2120:10 Double Ambig)
&rst
ixpk= 2120, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2347,2348,2232,2233,2232,2233,
igr2=2297,2210,
&end
#
# 0 AMB 10-2:2121 0 AMB 10-1:2121 5.50 (# 2121:10 Double Ambig)
&rst
ixpk= 2121, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2244,2135,
igr2=2297,2210,
&end
#
# 145 VAL HN 0 AMB 10-1:2122 5.50 (# 2122:10 Single Ambig)
&rst
ixpk= 2122, nxpk= 10, iat=2242, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2210,2297,
&end
#
# 0 AMB 10-2:2123 144 GLN HN 5.50 (# 2123:10 Single Ambig)
&rst
ixpk= 2123, nxpk= 10, iat= -1,2225, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2174,2175,2262,2263,
&end
#
# 0 AMB 10-2:2124 145 VAL HN 5.50 (# 2124:10 Single Ambig)
&rst
ixpk= 2124, nxpk= 10, iat= -1,2242, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=2265,1172,1173,1172,1173,
&end
#
# 146 LEU MDY 147 ALA HN 5.50 (# 2126:10 Unique 4.38, 5.53 A)
&rst
ixpk= 2126, nxpk= 10, iat= -1,2277, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2267,2268,2269,2271,2272,2273,
&end
#
# 0 AMB 10-2:2127 147 ALA HN 5.50 (# 2127:10 Single Ambig)
&rst
ixpk= 2127, nxpk= 10, iat= -1,2277, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64,
igr1=2248,2249,2250,2252,2253,2254,1831,1832,1833,1835,
1836,1837, 520, 521, 522, 524, 525, 526,1168,1169,
1170,
&end
#
# 0 AMB 10-2:2128 147 ALA HN 5.50 (# 2128:10 Single Ambig)
&rst
ixpk= 2128, nxpk= 10, iat= -1,2277, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2306,2307,2308,2310,2311,2312,2306,2307,2308,2310,
2311,2312,
&end
#
# 150 ARG HB+ 147 ALA HN 5.50 (# 2129:10 Unique 4.62, 5.88 A)
&rst
ixpk= 2129, nxpk= 10, iat= -1,2277, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2320,2321,
&end
#
# 0 AMB 10-2:2130 147 ALA HN 5.50 (# 2130:10 Single Ambig)
&rst
ixpk= 2130, nxpk= 10, iat= -1,2277, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2246,2347,2348,
&end
#
# 144 GLN HE2- 147 ALA HN 5.50 (# 2131:10 Unique 4.19, 5.25 A)
&rst
ixpk= 2131, nxpk= 10, iat= -1,2277, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2237,2238,
&end
#
# 150 ARG HN 147 ALA HN 5.50 (# 2132:10 Unique 4.72, 4.85 A)
&rst
ixpk= 2132, nxpk= 10, iat=2316,2277, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:2133 148 ALA HN 5.50 (# 2133:10 Single Ambig)
&rst
ixpk= 2133, nxpk= 10, iat= -1,2287, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1796,2359,2360,
&end
#
# 146 LEU MDY 149 LEU HN 5.50 (# 2134:10 Unique 5.44, 7.20 A)
&rst
ixpk= 2134, nxpk= 10, iat= -1,2297, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2267,2268,2269,2271,2272,2273,
&end
#
# 59 ILE MD1 149 LEU HN 4.50 (# 2135:10 Unique 3.31, 4.71 A)
&rst
ixpk= 2135, nxpk= 10, iat= -1,2297, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 918, 919, 920,
&end
#
# 0 AMB 10-2:2136 0 AMB 10-1:2136 4.50 (# 2136:10 Double Ambig)
&rst
ixpk= 2136, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.39, r4= 8.89,
igr1=2248,2249,2250,2252,2253,2254, 405, 406, 407, 409,
410, 411,2139,2140,2141, 520, 521, 522, 524, 525,
526,
igr2=2297,2210,
&end
#
# 0 AMB 10-2:2137 0 AMB 10-1:2137 5.50 (# 2137:10 Double Ambig)
&rst
ixpk= 2137, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
igr1=2185,2186,2187, 400, 401,1755,1756,
igr2=2210,2297,
&end
#
# 0 AMB 10-2:2138 0 AMB 10-1:2138 5.50 (# 2138:10 Double Ambig)
&rst
ixpk= 2138, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2373,2237,2238,
igr2=2297,2210,
&end
#
# 150 ARG HN 149 LEU HN 3.50 (# 2139:10 Unique 2.57, 2.69 A)
&rst
ixpk= 2139, nxpk= 10, iat=2316,2297, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:2140 150 ARG HN 4.50 (# 2140:10 Single Ambig)
&rst
ixpk= 2140, nxpk= 10, iat= -1,2316, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=2306,2307,2308,2310,2311,2312,2306,2307,2308,2310,
2311,2312,2379,2380,2381,2383,2384,2385,
&end
#
# 149 LEU HB- 150 ARG HN 4.50 (# 2141:10 Unique 2.39, 2.81 A)
&rst
ixpk= 2141, nxpk= 10, iat= -1,2316, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2301,2302,
&end
#
# 150 ARG HG+ 150 ARG HN 4.50 (# 2142:10 Unique 2.07, 3.58 A)
&rst
ixpk= 2142, nxpk= 10, iat= -1,2316, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2323,2324,
&end
#
# 150 ARG HG- 150 ARG HN 3.50 (# 2143:10 Unique 2.07, 3.58 A)
&rst
ixpk= 2143, nxpk= 10, iat= -1,2316, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2323,2324,
&end
#
# 0 AMB 10-2:2144 150 ARG HN 4.50 (# 2144:10 Single Ambig)
&rst
ixpk= 2144, nxpk= 10, iat= -1,2316, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2299,2260,
&end
#
# 147 ALA HA 150 ARG HN 4.50 (# 2145:10 Unique 3.47, 3.56 A)
&rst
ixpk= 2145, nxpk= 10, iat=2279,2316, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 150 ARG HA 150 ARG HN 3.50 (# 2146:10 Unique 2.77, 2.78 A)
&rst
ixpk= 2146, nxpk= 10, iat=2318,2316, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 152 SER HB+ 151 GLU HN 5.50 (# 2147:10 Unique 4.09, 4.73 A)
&rst
ixpk= 2147, nxpk= 10, iat= -1,2340, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2359,2360,
&end
#
# 154 VAL HN 151 GLU HN 4.50 (# 2148:10 Unique 4.14, 4.31 A)
&rst
ixpk= 2148, nxpk= 10, iat=2373,2340, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:2150 153 GLY HN 5.50 (# 2150:10 Single Ambig)
&rst
ixpk= 2150, nxpk= 10, iat= -1,2366, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=2301,2302, 58, 59, 60,
&end
#
# 156 ALA HN 154 VAL HN 5.50 (# 2151:10 Unique 5.32, 5.50 A)
&rst
ixpk= 2151, nxpk= 10, iat=2404,2373, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 149 LEU HN 154 VAL HN 5.50 (# 2152:10 Unique 5.73, 5.81 A)
&rst
ixpk= 2152, nxpk= 10, iat=2297,2373, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:2153 155 GLU HN 5.50 (# 2153:10 Single Ambig)
&rst
ixpk= 2153, nxpk= 10, iat= -1,2389, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2408,2409,2410,2420,2421,2422,
&end
#
# 0 AMB 10-2:2154 155 GLU HN 5.50 (# 2154:10 Single Ambig)
&rst
ixpk= 2154, nxpk= 10, iat= -1,2389, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 531, 532,2368,2369,2299,
&end
#
# 0 AMB 10-2:2155 155 GLU HN 5.50 (# 2155:10 Single Ambig)
&rst
ixpk= 2155, nxpk= 10, iat= -1,2389, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2318,2368,2369,
&end
#
# 149 LEU HB- 156 ALA HN 5.50 (# 2156:10 Unique 3.72, 3.98 A)
&rst
ixpk= 2156, nxpk= 10, iat= -1,2404, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2301,2302,
&end
#
# 150 ARG HG+ 156 ALA HN 5.50 (# 2157:10 Unique 1.86, 4.99 A)
&rst
ixpk= 2157, nxpk= 10, iat= -1,2404, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2323,2324,
&end
#
# 0 AMB 10-2:2158 156 ALA HN 5.50 (# 2158:10 Single Ambig)
&rst
ixpk= 2158, nxpk= 10, iat= -1,2404, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2375,2359,2360,
&end
#
# 30 TYR HD 156 ALA HN 5.50 (# 2159:10 Unique 5.61, 7.20 A)
&rst
ixpk= 2159, nxpk= 10, iat= -1,2404, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 479, 488,
&end
#
# 0 AMB 10-2:2160 157 ILE HN 5.50 (# 2160:10 Single Ambig)
&rst
ixpk= 2160, nxpk= 10, iat= -1,2414, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 502, 503,2265,
&end
#
# 30 TYR HD 157 ILE HN 5.50 (# 2162:10 Unique 3.69, 5.37 A)
&rst
ixpk= 2162, nxpk= 10, iat= -1,2414, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 479, 488,
&end
#
# 31 ILE HN 157 ILE HN 4.50 (# 2163:10 Unique 3.50, 3.72 A)
&rst
ixpk= 2163, nxpk= 10, iat= 492,2414, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 158 PRO HG- 159 ARG HN 5.50 (# 2164:10 Unique 4.75, 5.27 A)
&rst
ixpk= 2164, nxpk= 10, iat= -1,2447, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2437,2438,
&end
#
# 0 AMB 10-2:2165 160 SER HN 5.50 (# 2165:10 Single Ambig)
&rst
ixpk= 2165, nxpk= 10, iat= -1,2471, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=2427,2428,2429, 505, 506, 507, 498, 499, 500,
&end
#
# 158 PRO HA 160 SER HN 5.50 (# 2166:10 Unique 4.00, 4.05 A)
&rst
ixpk= 2166, nxpk= 10, iat=2443,2471, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 159 ARG HN 160 SER HN 5.50 (# 2168:10 Unique 2.56, 2.63 A)
&rst
ixpk= 2168, nxpk= 10, iat=2447,2471, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:2171 0 AMB 10-1:2171 4.50 (# 2171:10 Double Ambig)
&rst
ixpk= 2171, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1069,1070,1152,1153,
igr2=1074,1075,1074,1075,
&end
#
# 0 AMB 10-2:2172 0 AMB 10-1:2172 5.50 (# 2172:10 Double Ambig)
&rst
ixpk= 2172, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 150, 676,
igr2= 157, 158, 157, 158,
&end
#
# 75 MET HA 69 ASN HD2- 5.50 (# 2173:10 Unique 4.58, 5.61 A)
&rst
ixpk= 2173, nxpk= 10, iat=1147, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1074,1075,
&end
#
# 0 AMB 10-2:2174 39 LEU HN 4.50 (# 2174:10 Single Ambig)
&rst
ixpk= 2174, nxpk= 10, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 101, 66,
&end
#
# 0 AMB 10-2:2175 0 AMB 10-1:2175 3.50 (# 2175:10 Double Ambig)
&rst
ixpk= 2175, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 108, 109, 110, 112, 113, 114,1272,1273,1274,1276,
1277,1278,
igr2= 99,1806,
&end
#
# 77 LEU HB+ 77 LEU HN 4.50 (# 2176:10 Unique 2.17, 2.92 A)
&rst
ixpk= 2176, nxpk= 10, iat= -1,1181, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1185,1186,
&end
#
# 0 AMB 10-2:2177 16 GLU HN 3.50 (# 2177:10 Single Ambig)
&rst
ixpk= 2177, nxpk= 10, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 204, 205, 264, 265, 266,
&end
#
# 142 LEU HG 142 LEU HN 2.80 (# 2178:10 Unique 2.50, 2.63 A)
&rst
ixpk= 2178, nxpk= 10, iat=2198,2191, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:2179 0 AMB 10-1:2179 3.50 (# 2179:10 Double Ambig)
&rst
ixpk= 2179, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2289,2177,
igr2=2297,2210,
&end
#
# 13 LEU HG 10 ASN HD2- 4.50 (# 2180:10 Unique 4.46, 5.15 A)
&rst
ixpk= 2180, nxpk= 10, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 157, 158,
&end
#
# 0 AMB 10-2:2181 59 ILE HN 4.50 (# 2181:10 Single Ambig)
&rst
ixpk= 2181, nxpk= 10, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 89, 90, 91, 93, 94, 95, 911, 912, 913,
&end
#
# 13 LEU MDX 10 ASN HD2- 5.50 (# 2182:10 Unique 1.83, 3.92 A)
&rst
ixpk= 2182, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 209, 210, 211, 213, 214, 215,
igr2= 157, 158,
&end
#
# 13 LEU MDX 10 ASN HD2+ 5.50 (# 2183:10 Unique 1.83, 3.92 A)
&rst
ixpk= 2183, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 209, 210, 211, 213, 214, 215,
igr2= 157, 158,
&end
#
# 39 LEU HB- 40 ASP HN 4.50 (# 2185:10 Unique 3.81, 4.19 A)
&rst
ixpk= 2185, nxpk= 10, iat= -1, 646, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 631, 632,
&end
#
# 14 THR HN 127 HIS HN 3.50 (# 2186:10 Unique 2.99, 3.18 A)
&rst
ixpk= 2186, nxpk= 10, iat= 219,1971, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 128 ILE HN 127 HIS HN 5.50 (# 2187:10 Unique 1.65, 3.15 A)
&rst
ixpk= 2187, nxpk= 10, iat=1988,1971, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 THR HG1 127 HIS HN 4.50 (# 2188:10 Unique 2.09, 2.38 A)
&rst
ixpk= 2188, nxpk= 10, iat= 229,1971, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 14 THR HA 127 HIS HN 5.50 (# 2189:10 Unique 4.10, 4.39 A)
&rst
ixpk= 2189, nxpk= 10, iat= 221,1971, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 LEU HA 127 HIS HN 5.50 (# 2190:10 Unique 3.97, 4.45 A)
&rst
ixpk= 2190, nxpk= 10, iat= 183,1971, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 126 PRO HD+ 127 HIS HN 5.50 (# 2191:10 Unique 4.47, 4.97 A)
&rst
ixpk= 2191, nxpk= 10, iat= -1,1971, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1958,1959,
&end
#
# 127 HIS HB+ 127 HIS HN 4.50 (# 2192:10 Unique 2.80, 3.59 A)
&rst
ixpk= 2192, nxpk= 10, iat= -1,1971, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1975,1976,
&end
#
# 0 AMB 10-2:2193 127 HIS HN 5.50 (# 2193:10 Single Ambig)
&rst
ixpk= 2193, nxpk= 10, iat= -1,1971, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1961,1962,1961,1962,
&end
#
# 0 AMB 10-2:2194 127 HIS HN 4.50 (# 2194:10 Single Ambig)
&rst
ixpk= 2194, nxpk= 10, iat= -1,1971, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1998,1999,1992, 225, 226, 227,
&end
#
# 0 AMB 10-2:2195 127 HIS HN 5.50 (# 2195:10 Single Ambig)
&rst
ixpk= 2195, nxpk= 10, iat= -1,1971, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1998,1999, 209, 210, 211, 213, 214, 215,
&end
#
# 83 PRO HB+ 84 ALA HN 4.50 (# 2196:10 Unique 2.94, 3.62 A)
&rst
ixpk= 2196, nxpk= 10, iat= -1,1296, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1289,1290,
&end
#
# 0 AMB 10-2:2197 0 AMB 10-1:2197 5.50 (# 2197:10 Double Ambig)
&rst
ixpk= 2197, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 434, 435,1152,1153,
igr2= 442, 443,1074,1075,
&end
#
# 28 GLN HB- 28 GLN HE2+ 5.50 (# 2198:10 Unique 1.93, 3.68 A)
&rst
ixpk= 2198, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 434, 435,
igr2= 442, 443,
&end
#
# 0 AMB 10-2:2199 51 ASP HN 5.50 (# 2199:10 Single Ambig)
&rst
ixpk= 2199, nxpk= 10, iat= -1, 780, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
igr1= 108, 109, 110, 112, 113, 114, 763, 764, 765, 767,
768, 769, 744, 745, 746, 748, 749, 750, 744, 745,
746, 748, 749, 750, 636, 637, 638, 640, 641, 642,
&end
#
# 128 ILE MD1 128 ILE HN 4.50 (# 2200:10 Unique 1.94, 4.32 A)
&rst
ixpk= 2200, nxpk= 10, iat= -1,1988, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2001,2002,2003,
&end
#
# 0 AMB 10-2:2201 105 ARG HN 4.50 (# 2201:10 Single Ambig)
&rst
ixpk= 2201, nxpk= 10, iat= -1,1615, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1598,1588,
&end
#
# 102 SER HB+ 103 ALA HN 4.50 (# 2202:10 Unique 2.73, 3.12 A)
&rst
ixpk= 2202, nxpk= 10, iat= -1,1586, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1579,1580,
&end
#
# 0 AMB 10-2:2203 101 LEU HN 4.50 (# 2203:10 Single Ambig)
&rst
ixpk= 2203, nxpk= 10, iat= -1,1556, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1520,1501,
&end
#
# 0 AMB 10-2:2204 99 ASP HN 5.50 (# 2204:10 Single Ambig)
&rst
ixpk= 2204, nxpk= 10, iat= -1,1528, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1520,1494,1495,
&end
#
# 0 AMB 10-2:2205 98 ALA HN 4.50 (# 2205:10 Single Ambig)
&rst
ixpk= 2205, nxpk= 10, iat= -1,1518, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1501,1494,1495,
&end
#
# 99 ASP HN 98 ALA HN 4.50 (# 2206:10 Unique 2.89, 2.99 A)
&rst
ixpk= 2206, nxpk= 10, iat=1528,1518, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 27 GLU HA 30 TYR HN 5.50 (# 2207:10 Unique 3.94, 4.24 A)
&rst
ixpk= 2207, nxpk= 10, iat= 417, 471, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 ARG HN 30 TYR HN 3.50 (# 2208:10 Unique 2.05, 2.53 A)
&rst
ixpk= 2208, nxpk= 10, iat= 447, 471, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:2209 29 ARG HN 2.80 (# 2209:10 Single Ambig)
&rst
ixpk= 2209, nxpk= 10, iat= -1, 447, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 430, 471,
&end
#
# 25 ALA HN 0 AMB 10-1:2210 5.50 (# 2210:10 Single Ambig)
&rst
ixpk= 2210, nxpk= 10, iat= 386, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 430, 312,
&end
#
# 0 AMB 10-2:2211 27 GLU HN 4.50 (# 2211:10 Single Ambig)
&rst
ixpk= 2211, nxpk= 10, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 398, 432,
&end
#
# 27 GLU HA 27 GLU HN 3.50 (# 2212:10 Unique 2.78, 2.83 A)
&rst
ixpk= 2212, nxpk= 10, iat= 417, 415, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 29 ARG HN 28 GLN HN 3.50 (# 2213:10 Unique 2.02, 2.25 A)
&rst
ixpk= 2213, nxpk= 10, iat= 447, 430, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 147 ALA HN 148 ALA HN 2.80 (# 2214:10 Unique 2.74, 2.83 A)
&rst
ixpk= 2214, nxpk= 10, iat=2277,2287, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 145 VAL HA 147 ALA HN 5.50 (# 2215:10 Unique 4.36, 4.42 A)
&rst
ixpk= 2215, nxpk= 10, iat=2244,2277, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 142 LEU HA 143 GLU HN 4.50 (# 2216:10 Unique 3.56, 3.57 A)
&rst
ixpk= 2216, nxpk= 10, iat=2193,2210, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 144 GLN HE2- 144 GLN HN 5.50 (# 2217:10 Unique 4.62, 5.66 A)
&rst
ixpk= 2217, nxpk= 10, iat= -1,2225, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2237,2238,
&end
#
# 144 GLN HE2+ 144 GLN HN 5.50 (# 2218:10 Unique 4.62, 5.66 A)
&rst
ixpk= 2218, nxpk= 10, iat= -1,2225, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2237,2238,
&end
#
# 0 AMB 10-2:2219 20 VAL HN 4.50 (# 2219:10 Single Ambig)
&rst
ixpk= 2219, nxpk= 10, iat= -1, 296, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 291, 292, 143, 144,
&end
#
# 116 LEU HB- 116 LEU HN 3.50 (# 2220:10 Unique 2.40, 3.04 A)
&rst
ixpk= 2220, nxpk= 10, iat= -1,1806, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1810,1811,
&end
#
# 9 GLY HA- 10 ASN HN 5.50 (# 2221:10 Unique 2.14, 3.16 A)
&rst
ixpk= 2221, nxpk= 10, iat= -1, 148, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 143, 144,
&end
#
# 115 THR MG2 115 THR HB 5.50 (# 0:20 Unique 2.24, 2.64 A)
&rst
ixpk= 0, nxpk= 20, iat= -1,1796, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr1=1798,1799,1800,
&end
#
# 115 THR MG2 115 THR HB 5.50 (# 1:20 Unique 2.24, 2.64 A)
&rst
ixpk= 1, nxpk= 20, iat= -1,1796, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1798,1799,1800,
&end
#
# 120 ILE HB 73 THR HB 4.50 (# 2:20 Unique 3.03, 3.58 A)
&rst
ixpk= 2, nxpk= 20, iat=1868,1118, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:3 73 THR HB 3.50 (# 3:20 Single Ambig)
&rst
ixpk= 3, nxpk= 20, iat= -1,1118, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1874,1875,1874,1875,
&end
#
# 73 THR MG2 73 THR HB 2.80 (# 4:20 Unique 2.39, 2.64 A)
&rst
ixpk= 4, nxpk= 20, iat= -1,1118, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1120,1121,1122,
&end
#
# 0 AMB 20-2:5 131 THR HB 2.80 (# 5:20 Single Ambig)
&rst
ixpk= 5, nxpk= 20, iat= -1,2037, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 225, 226, 227,2039,2040,2041,
&end
#
# 107 THR MG2 107 THR HB 2.80 (# 6:20 Unique 2.23, 2.64 A)
&rst
ixpk= 6, nxpk= 20, iat= -1,1663, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1665,1666,1667,
&end
#
# 120 ILE MD1 73 THR HB 4.50 (# 7:20 Unique 3.31, 5.28 A)
&rst
ixpk= 7, nxpk= 20, iat= -1,1118, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1877,1878,1879,
&end
#
# 70 THR MG2 70 THR HB 2.80 (# 8:20 Unique 2.34, 2.64 A)
&rst
ixpk= 8, nxpk= 20, iat= -1,1083, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1085,1086,1087,
&end
#
# 87 THR MG2 87 THR HB 2.80 (# 9:20 Unique 2.35, 2.64 A)
&rst
ixpk= 9, nxpk= 20, iat= -1,1349, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1351,1352,1353,
&end
#
# 133 THR MG2 133 THR HB 2.80 (# 10:20 Unique 2.30, 2.64 A)
&rst
ixpk= 10, nxpk= 20, iat= -1,2065, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=2067,2068,2069,
&end
#
# 43 THR MG2 43 THR HB 2.80 (# 11:20 Unique 2.23, 2.64 A)
&rst
ixpk= 11, nxpk= 20, iat= -1, 676, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 678, 679, 680,
&end
#
# 0 AMB 20-2:12 82 VAL HA 4.50 (# 12:20 Single Ambig)
&rst
ixpk= 12, nxpk= 20, iat= -1,1268, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1188,1310,1311,
&end
#
# 82 VAL HB 82 VAL HA 5.50 (# 13:20 Unique 2.22, 2.23 A)
&rst
ixpk= 13, nxpk= 20, iat=1270,1268, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:14 82 VAL HA 2.80 (# 14:20 Single Ambig)
&rst
ixpk= 14, nxpk= 20, iat= -1,1268, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1815,1816,1817,1819,1820,1821,1272,1273,1274,1276,
1277,1278,
&end
#
# 0 AMB 20-2:15 14 THR HB 3.50 (# 15:20 Single Ambig)
&rst
ixpk= 15, nxpk= 20, iat= -1, 223, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 225, 226, 227,2039,2040,2041,
&end
#
# 0 AMB 20-2:16 100 VAL HA 2.80 (# 16:20 Single Ambig)
&rst
ixpk= 16, nxpk= 20, iat= -1,1542, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1546,1547,1548,1550,1551,1552,1546,1547,1548,1550,
1551,1552,
&end
#
# 0 AMB 20-2:17 22 ILE HA 4.50 (# 17:20 Single Ambig)
&rst
ixpk= 17, nxpk= 20, iat= -1, 338, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2185,2186,2187, 400, 401, 947, 948, 949,
&end
#
# 22 ILE HG1+ 22 ILE HA 3.50 (# 18:20 Unique 2.24, 3.11 A)
&rst
ixpk= 18, nxpk= 20, iat= -1, 338, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 346, 347,
&end
#
# 25 ALA MB 22 ILE HA 3.50 (# 19:20 Unique 2.63, 4.19 A)
&rst
ixpk= 19, nxpk= 20, iat= -1, 338, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 390, 391, 392,
&end
#
# 0 AMB 20-2:20 22 ILE HA 2.80 (# 20:20 Single Ambig)
&rst
ixpk= 20, nxpk= 20, iat= -1, 338, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 349, 350, 351, 342, 343, 344,
&end
#
# 26 LEU HB+ 23 VAL HA 3.50 (# 21:20 Unique 2.36, 2.93 A)
&rst
ixpk= 21, nxpk= 20, iat= -1, 357, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 400, 401,
&end
#
# 23 VAL HB 23 VAL HA 2.80 (# 22:20 Unique 2.34, 2.38 A)
&rst
ixpk= 22, nxpk= 20, iat= 359, 357, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 26 LEU HB- 23 VAL HA 3.50 (# 23:20 Unique 2.36, 2.93 A)
&rst
ixpk= 23, nxpk= 20, iat= -1, 357, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 400, 401,
&end
#
# 0 AMB 20-2:24 23 VAL HA 2.80 (# 24:20 Single Ambig)
&rst
ixpk= 24, nxpk= 20, iat= -1, 357, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 614, 615, 616, 405, 406, 407, 409, 410, 411,
&end
#
# 0 AMB 20-2:25 23 VAL HA 4.50 (# 25:20 Single Ambig)
&rst
ixpk= 25, nxpk= 20, iat= -1, 357, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 618, 619, 403, 390, 391, 392,
&end
#
# 0 AMB 20-2:26 23 VAL HA 2.80 (# 26:20 Single Ambig)
&rst
ixpk= 26, nxpk= 20, iat= -1, 357, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 361, 362, 363, 365, 366, 367,2248,2249,2250,2252,
2253,2254,
&end
#
# 0 AMB 20-2:27 100 VAL HA 2.80 (# 27:20 Single Ambig)
&rst
ixpk= 27, nxpk= 20, iat= -1,1542, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1590,1591,1592, 761,
&end
#
# 0 AMB 20-2:28 100 VAL HA 2.80 (# 28:20 Single Ambig)
&rst
ixpk= 28, nxpk= 20, iat= -1,1542, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 714, 715, 716,1544,
&end
#
# 137 MET HG+ 134 VAL HA 4.50 (# 29:20 Unique 1.86, 2.94 A)
&rst
ixpk= 29, nxpk= 20, iat= -1,2077, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2123,2124,
&end
#
# 137 MET HG- 134 VAL HA 4.50 (# 30:20 Unique 1.86, 2.94 A)
&rst
ixpk= 30, nxpk= 20, iat= -1,2077, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2123,2124,
&end
#
# 0 AMB 20-2:31 134 VAL HA 3.50 (# 31:20 Single Ambig)
&rst
ixpk= 31, nxpk= 20, iat= -1,2077, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=2079,2120,2121,2120,2121,
&end
#
# 0 AMB 20-2:32 134 VAL HA 2.80 (# 32:20 Single Ambig)
&rst
ixpk= 32, nxpk= 20, iat= -1,2077, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2081,2082,2083,2085,2086,2087,2081,2082,2083,2085,
2086,2087,
&end
#
# 140 PRO HB+ 140 PRO HA 2.80 (# 33:20 Unique 2.30, 2.51 A)
&rst
ixpk= 33, nxpk= 20, iat= -1,2177, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2174,2175,
&end
#
# 0 AMB 20-2:34 140 PRO HA 2.80 (# 34:20 Single Ambig)
&rst
ixpk= 34, nxpk= 20, iat= -1,2177, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=2214,2215,2171,2172,2156,2157,
&end
#
# 140 PRO HB- 140 PRO HA 2.80 (# 35:20 Unique 2.30, 2.51 A)
&rst
ixpk= 35, nxpk= 20, iat= -1,2177, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2174,2175,
&end
#
# 83 PRO HB+ 83 PRO HA 2.80 (# 36:20 Unique 2.30, 2.51 A)
&rst
ixpk= 36, nxpk= 20, iat= -1,1292, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1289,1290,
&end
#
# 83 PRO HB- 83 PRO HA 3.50 (# 37:20 Unique 2.30, 2.51 A)
&rst
ixpk= 37, nxpk= 20, iat= -1,1292, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1289,1290,
&end
#
# 83 PRO HG- 83 PRO HA 4.50 (# 38:20 Unique 3.85, 3.94 A)
&rst
ixpk= 38, nxpk= 20, iat= -1,1292, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1286,1287,
&end
#
# 101 LEU MDY 83 PRO HA 4.50 (# 39:20 Unique 2.95, 4.69 A)
&rst
ixpk= 39, nxpk= 20, iat= -1,1292, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1565,1566,1567,1569,1570,1571,
&end
#
# 86 PHE HB- 83 PRO HA 4.50 (# 40:20 Unique 2.99, 4.10 A)
&rst
ixpk= 40, nxpk= 20, iat= -1,1292, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1329,1330,
&end
#
# 0 AMB 20-2:41 132 PRO HA 2.80 (# 41:20 Single Ambig)
&rst
ixpk= 41, nxpk= 20, iat= -1,2057, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2054,2055,2095,2096,
&end
#
# 136 ALA MB 133 THR HA 4.50 (# 42:20 Unique 3.89, 4.77 A)
&rst
ixpk= 42, nxpk= 20, iat= -1,2063, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2110,2111,2112,
&end
#
# 133 THR MG2 133 THR HA 2.80 (# 43:20 Unique 2.59, 3.28 A)
&rst
ixpk= 43, nxpk= 20, iat= -1,2063, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=2067,2068,2069,
&end
#
# 92 PRO HB+ 92 PRO HA 2.80 (# 44:20 Unique 2.30, 2.51 A)
&rst
ixpk= 44, nxpk= 20, iat= -1,1435, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1432,1433,
&end
#
# 95 LEU HB+ 92 PRO HA 3.50 (# 45:20 Unique 1.89, 2.91 A)
&rst
ixpk= 45, nxpk= 20, iat= -1,1435, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1477,1478,
&end
#
# 0 AMB 20-2:46 0 AMB 20-1:46 3.50 (# 46:20 Double Ambig)
&rst
ixpk= 46, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=2039,2040,2041, 225, 226, 227,
igr2=1916,1917,1916,1917,
&end
#
# 0 AMB 20-2:47 123 SER HB- 2.80 (# 47:20 Single Ambig)
&rst
ixpk= 47, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2039,2040,2041, 225, 226, 227,
igr2=1916,1917,
&end
#
# 95 LEU MDY 92 PRO HA 4.50 (# 48:20 Unique 2.13, 4.48 A)
&rst
ixpk= 48, nxpk= 20, iat= -1,1435, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1482,1483,1484,1486,1487,1488,
&end
#
# 0 AMB 20-2:49 14 THR HA 3.50 (# 49:20 Single Ambig)
&rst
ixpk= 49, nxpk= 20, iat= -1, 221, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 225, 226, 227,2018,2019,
&end
#
# 0 AMB 20-2:50 0 AMB 20-1:50 4.50 (# 50:20 Double Ambig)
&rst
ixpk= 50, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1408,1409,1410, 981, 982, 983,
igr2=1014,1015,1014,1015,
&end
#
# 0 AMB 20-2:51 66 SER HB- 3.50 (# 51:20 Single Ambig)
&rst
ixpk= 51, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1408,1409,1410, 981, 982, 983,
igr2=1014,1015,
&end
#
# 137 MET ME 73 THR HA 4.50 (# 52:20 Unique 1.96, 3.69 A)
&rst
ixpk= 52, nxpk= 20, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2127,2128,2129,
&end
#
# 73 THR MG2 73 THR HA 2.80 (# 53:20 Unique 2.98, 3.67 A)
&rst
ixpk= 53, nxpk= 20, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1120,1121,1122,
&end
#
# 0 AMB 20-2:54 71 PRO HA 2.80 (# 54:20 Single Ambig)
&rst
ixpk= 54, nxpk= 20, iat= -1,1103, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1868,1100,1101,
&end
#
# 120 ILE MG2 71 PRO HA 2.80 (# 55:20 Unique 1.97, 2.77 A)
&rst
ixpk= 55, nxpk= 20, iat= -1,1103, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1870,1871,1872,
&end
#
# 120 ILE MD1 71 PRO HA 4.50 (# 56:20 Unique 2.67, 5.38 A)
&rst
ixpk= 56, nxpk= 20, iat= -1,1103, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1877,1878,1879,
&end
#
# 11 ILE HB 11 ILE HA 2.80 (# 57:20 Unique 2.37, 2.47 A)
&rst
ixpk= 57, nxpk= 20, iat= 166, 164, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 17 ALA MB 11 ILE HA 2.80 (# 58:20 Unique 1.99, 2.72 A)
&rst
ixpk= 58, nxpk= 20, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 264, 265, 266,
&end
#
# 11 ILE MG2 11 ILE HA 2.80 (# 59:20 Unique 2.42, 3.05 A)
&rst
ixpk= 59, nxpk= 20, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 168, 169, 170,
&end
#
# 0 AMB 20-2:60 0 AMB 20-1:60 4.50 (# 60:20 Double Ambig)
&rst
ixpk= 60, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1460,1461,1460,1461,1432,1433,
igr2=1418,1419,1418,1419,1418,1419,
&end
#
# 0 AMB 20-2:61 0 AMB 20-1:61 2.80 (# 61:20 Double Ambig)
&rst
ixpk= 61, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1401,1402,1403,1000,1001,1002,1004,1005,1006,1000,
1001,1002,1004,1005,1006,
igr2=1418,1419,1418,1419,1418,1419,1418,1419,
&end
#
# 0 AMB 20-2:62 11 ILE HA 4.50 (# 62:20 Single Ambig)
&rst
ixpk= 62, nxpk= 20, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 172, 173, 172, 173,
&end
#
# 158 PRO HB+ 158 PRO HA 2.80 (# 63:20 Unique 2.30, 2.51 A)
&rst
ixpk= 63, nxpk= 20, iat= -1,2443, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2440,2441,
&end
#
# 158 PRO HG- 158 PRO HA 4.50 (# 64:20 Unique 3.85, 3.94 A)
&rst
ixpk= 64, nxpk= 20, iat= -1,2443, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2437,2438,
&end
#
# 158 PRO HB- 158 PRO HA 3.50 (# 65:20 Unique 2.30, 2.51 A)
&rst
ixpk= 65, nxpk= 20, iat= -1,2443, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2440,2441,
&end
#
# 0 AMB 20-2:66 158 PRO HA 5.50 (# 66:20 Single Ambig)
&rst
ixpk= 66, nxpk= 20, iat= -1,2443, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2451,2452, 451, 452,
&end
#
# 0 AMB 20-2:67 87 THR HA 4.50 (# 67:20 Single Ambig)
&rst
ixpk= 67, nxpk= 20, iat= -1,1347, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1380,1381,1522,1523,1524,
&end
#
# 15 ASP HB- 121 PRO HA 4.50 (# 68:20 Unique 1.97, 2.75 A)
&rst
ixpk= 68, nxpk= 20, iat= -1,1893, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 237, 238,
&end
#
# 121 PRO HB- 121 PRO HA 3.50 (# 69:20 Unique 2.30, 2.51 A)
&rst
ixpk= 69, nxpk= 20, iat= -1,1893, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1890,1891,
&end
#
# 121 PRO HB+ 121 PRO HA 2.80 (# 70:20 Unique 2.30, 2.51 A)
&rst
ixpk= 70, nxpk= 20, iat= -1,1893, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1890,1891,
&end
#
# 87 THR MG2 87 THR HA 2.80 (# 71:20 Unique 2.55, 3.26 A)
&rst
ixpk= 71, nxpk= 20, iat= -1,1347, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1351,1352,1353,
&end
#
# 18 ILE HB 18 ILE HA 2.80 (# 72:20 Unique 2.50, 2.59 A)
&rst
ixpk= 72, nxpk= 20, iat= 274, 272, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 130 LEU MDX 18 ILE HA 2.80 (# 73:20 Unique 1.98, 4.08 A)
&rst
ixpk= 73, nxpk= 20, iat= -1, 272, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=2023,2024,2025,2027,2028,2029,
&end
#
# 0 AMB 20-2:74 18 ILE HA 2.80 (# 74:20 Single Ambig)
&rst
ixpk= 74, nxpk= 20, iat= -1, 272, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 283, 284, 285,2023,2024,2025,2027,2028,2029,
&end
#
# 33 PRO HB+ 33 PRO HA 2.80 (# 75:20 Unique 2.30, 2.51 A)
&rst
ixpk= 75, nxpk= 20, iat= -1, 540, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 537, 538,
&end
#
# 107 THR MG2 107 THR HA 2.80 (# 76:20 Unique 3.18, 3.83 A)
&rst
ixpk= 76, nxpk= 20, iat= -1,1661, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1665,1666,1667,
&end
#
# 105 ARG HG+ 102 SER HA 4.50 (# 77:20 Unique 1.91, 3.45 A)
&rst
ixpk= 77, nxpk= 20, iat= -1,1577, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1622,1623,
&end
#
# 0 AMB 20-2:78 65 VAL HA 2.80 (# 78:20 Single Ambig)
&rst
ixpk= 78, nxpk= 20, iat= -1, 996, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1000,1001,1002,1004,1005,1006,1000,1001,1002,1004,
1005,1006,
&end
#
# 154 VAL MGX 154 VAL HA 2.80 (# 79:20 Unique 2.03, 3.11 A)
&rst
ixpk= 79, nxpk= 20, iat= -1,2375, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=2379,2380,2381,2383,2384,2385,
&end
#
# 0 AMB 20-2:80 154 VAL HA 3.50 (# 80:20 Single Ambig)
&rst
ixpk= 80, nxpk= 20, iat= -1,2375, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=2377,2393,2394,
&end
#
# 117 VAL HB 117 VAL HA 3.50 (# 81:20 Unique 2.97, 2.99 A)
&rst
ixpk= 81, nxpk= 20, iat=1829,1827, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:82 117 VAL HA 2.80 (# 82:20 Single Ambig)
&rst
ixpk= 82, nxpk= 20, iat= -1,1827, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1831,1832,1833,1835,1836,1837,1175,1176,1177,
&end
#
# 0 AMB 20-2:83 117 VAL HA 2.80 (# 83:20 Single Ambig)
&rst
ixpk= 83, nxpk= 20, iat= -1,1827, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1831,1832,1833,1835,1836,1837,1815,1816,1817,1819,
1820,1821,
&end
#
# 3 ILE HB 36 VAL HA 3.50 (# 84:20 Unique 2.18, 2.27 A)
&rst
ixpk= 84, nxpk= 20, iat= 49, 579, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:85 36 VAL HA 2.80 (# 85:20 Single Ambig)
&rst
ixpk= 85, nxpk= 20, iat= -1, 579, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 51, 52, 53, 73, 74, 75, 77, 78, 79,
&end
#
# 0 AMB 20-2:86 36 VAL HA 2.80 (# 86:20 Single Ambig)
&rst
ixpk= 86, nxpk= 20, iat= -1, 579, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 583, 584, 585, 587, 588, 589, 583, 584, 585, 587,
588, 589,
&end
#
# 0 AMB 20-2:87 139 GLU HA 2.80 (# 87:20 Single Ambig)
&rst
ixpk= 87, nxpk= 20, iat= -1,2154, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2159,2160,2159,2160,
&end
#
# 0 AMB 20-2:88 0 AMB 20-1:88 2.80 (# 88:20 Double Ambig)
&rst
ixpk= 88, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=2156,2157,1560,1561,
igr2=2154,1577,
&end
#
# 0 AMB 20-2:89 0 AMB 20-1:89 2.80 (# 89:20 Double Ambig)
&rst
ixpk= 89, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=1619,1620,1399,2195,2196,2195,2196,
igr2=1577,1397,2154,
&end
#
# 0 AMB 20-2:90 0 AMB 20-1:90 2.80 (# 90:20 Double Ambig)
&rst
ixpk= 90, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1877,1878,1879,2139,2140,2141, 981, 982, 983,
igr2= 996,2154,
&end
#
# 90 ILE HG1+ 90 ILE HA 3.50 (# 91:20 Unique 2.17, 2.83 A)
&rst
ixpk= 91, nxpk= 20, iat= -1,1397, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1405,1406,
&end
#
# 90 ILE HG1- 90 ILE HA 4.50 (# 92:20 Unique 2.17, 2.83 A)
&rst
ixpk= 92, nxpk= 20, iat= -1,1397, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1405,1406,
&end
#
# 0 AMB 20-2:93 131 THR HA 2.80 (# 93:20 Single Ambig)
&rst
ixpk= 93, nxpk= 20, iat= -1,2035, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=2039,2040,2041, 225, 226, 227,
&end
#
# 0 AMB 20-2:95 128 ILE HA 3.50 (# 95:20 Single Ambig)
&rst
ixpk= 95, nxpk= 20, iat= -1,1990, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1998,1999,1992,
&end
#
# 128 ILE MG2 128 ILE HA 2.80 (# 96:20 Unique 2.06, 3.01 A)
&rst
ixpk= 96, nxpk= 20, iat= -1,1990, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1994,1995,1996,
&end
#
# 0 AMB 20-2:97 31 ILE HA 4.50 (# 97:20 Single Ambig)
&rst
ixpk= 97, nxpk= 20, iat= -1, 494, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 496, 515, 516,
&end
#
# 31 ILE HG1+ 31 ILE HA 4.50 (# 98:20 Unique 3.02, 3.42 A)
&rst
ixpk= 98, nxpk= 20, iat= -1, 494, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 502, 503,
&end
#
# 31 ILE HG1- 31 ILE HA 4.50 (# 99:20 Unique 3.02, 3.42 A)
&rst
ixpk= 99, nxpk= 20, iat= -1, 494, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 502, 503,
&end
#
# 0 AMB 20-2:100 31 ILE HA 2.80 (# 100:20 Single Ambig)
&rst
ixpk= 100, nxpk= 20, iat= -1, 494, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 505, 506, 507, 498, 499, 500,
&end
#
# 71 PRO HG+ 70 THR HA 5.50 (# 101:20 Unique 4.32, 4.37 A)
&rst
ixpk= 101, nxpk= 20, iat= -1,1081, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1097,1098,
&end
#
# 43 THR MG2 43 THR HA 2.80 (# 102:20 Unique 2.73, 3.31 A)
&rst
ixpk= 102, nxpk= 20, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 678, 679, 680,
&end
#
# 70 THR MG2 70 THR HA 2.80 (# 103:20 Unique 2.67, 3.20 A)
&rst
ixpk= 103, nxpk= 20, iat= -1,1081, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1085,1086,1087,
&end
#
# 0 AMB 20-2:104 49 LEU HA 4.50 (# 104:20 Single Ambig)
&rst
ixpk= 104, nxpk= 20, iat= -1, 756, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 796, 797,1603,
&end
#
# 0 AMB 20-2:105 49 LEU HA 2.80 (# 105:20 Single Ambig)
&rst
ixpk= 105, nxpk= 20, iat= -1, 756, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 758, 759, 796, 797,
&end
#
# 49 LEU HG 49 LEU HA 4.50 (# 106:20 Unique 2.18, 2.32 A)
&rst
ixpk= 106, nxpk= 20, iat= 761, 756, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:107 49 LEU HA 2.80 (# 107:20 Single Ambig)
&rst
ixpk= 107, nxpk= 20, iat= -1, 756, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1546,1547,1548,1550,1551,1552,1546,1547,1548,1550,
1551,1552,
&end
#
# 0 AMB 20-2:108 135 GLU HA 2.80 (# 108:20 Single Ambig)
&rst
ixpk= 108, nxpk= 20, iat= -1,2093, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2098,2099,2120,2121,
&end
#
# 135 GLU HB+ 135 GLU HA 2.80 (# 109:20 Unique 2.40, 2.75 A)
&rst
ixpk= 109, nxpk= 20, iat= -1,2093, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2095,2096,
&end
#
# 0 AMB 20-2:110 135 GLU HA 3.50 (# 110:20 Single Ambig)
&rst
ixpk= 110, nxpk= 20, iat= -1,2093, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=2021,2143,2144,
&end
#
# 0 AMB 20-2:111 135 GLU HA 2.80 (# 111:20 Single Ambig)
&rst
ixpk= 111, nxpk= 20, iat= -1,2093, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=2023,2024,2025,2027,2028,2029, 283, 284, 285,
&end
#
# 150 ARG HG+ 150 ARG HA 4.50 (# 112:20 Unique 2.59, 3.47 A)
&rst
ixpk= 112, nxpk= 20, iat= -1,2318, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2323,2324,
&end
#
# 143 GLU HB+ 143 GLU HA 2.80 (# 113:20 Unique 2.23, 2.66 A)
&rst
ixpk= 113, nxpk= 20, iat= -1,2212, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2214,2215,
&end
#
# 146 LEU HB+ 143 GLU HA 3.50 (# 114:20 Unique 2.86, 3.78 A)
&rst
ixpk= 114, nxpk= 20, iat= -1,2212, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2262,2263,
&end
#
# 146 LEU HG 143 GLU HA 4.50 (# 115:20 Unique 2.67, 3.67 A)
&rst
ixpk= 115, nxpk= 20, iat=2265,2212, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 146 LEU HB- 143 GLU HA 4.50 (# 116:20 Unique 2.86, 3.78 A)
&rst
ixpk= 116, nxpk= 20, iat= -1,2212, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2262,2263,
&end
#
# 146 LEU MDX 143 GLU HA 3.50 (# 117:20 Unique 1.97, 4.46 A)
&rst
ixpk= 117, nxpk= 20, iat= -1,2212, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2267,2268,2269,2271,2272,2273,
&end
#
# 64 ILE HB 64 ILE HA 4.50 (# 118:20 Unique 3.00, 3.02 A)
&rst
ixpk= 118, nxpk= 20, iat= 979, 977, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 64 ILE HG1+ 64 ILE HA 4.50 (# 119:20 Unique 2.18, 2.78 A)
&rst
ixpk= 119, nxpk= 20, iat= -1, 977, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 985, 986,
&end
#
# 0 AMB 20-2:120 64 ILE HA 2.80 (# 120:20 Single Ambig)
&rst
ixpk= 120, nxpk= 20, iat= -1, 977, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 981, 982, 983,1315,1316,1317,1319,1320,1321,
&end
#
# 64 ILE HG1- 64 ILE HA 4.50 (# 121:20 Unique 2.18, 2.78 A)
&rst
ixpk= 121, nxpk= 20, iat= -1, 977, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 985, 986,
&end
#
# 0 AMB 20-2:122 0 AMB 20-1:122 5.50 (# 122:20 Double Ambig)
&rst
ixpk= 122, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
igr1= 690, 691, 692,2291,2292,2293, 451, 452,
igr2= 722,2342,2318, 373,
&end
#
# 0 AMB 20-2:123 0 AMB 20-1:123 3.50 (# 123:20 Double Ambig)
&rst
ixpk= 123, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1= 621, 622, 623,2379,2380,2381,2383,2384,2385, 744,
745, 746, 748, 749, 750,
igr2= 373,2318, 722,
&end
#
# 0 AMB 20-2:124 0 AMB 20-1:124 2.80 (# 124:20 Double Ambig)
&rst
ixpk= 124, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=2347,2348, 727, 728, 727, 728, 422, 423, 422, 423,
igr2=2342, 722, 373,
&end
#
# 0 AMB 20-2:125 0 AMB 20-1:125 2.80 (# 125:20 Double Ambig)
&rst
ixpk= 125, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 724, 725, 375, 376,
igr2= 722, 373,
&end
#
# 151 GLU HB+ 151 GLU HA 2.80 (# 126:20 Unique 2.44, 2.77 A)
&rst
ixpk= 126, nxpk= 20, iat= -1,2342, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2344,2345,
&end
#
# 80 GLU HG- 80 GLU HA 3.50 (# 127:20 Unique 2.68, 3.26 A)
&rst
ixpk= 127, nxpk= 20, iat= -1,1238, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1243,1244,
&end
#
# 80 GLU HB+ 80 GLU HA 2.80 (# 128:20 Unique 2.23, 2.64 A)
&rst
ixpk= 128, nxpk= 20, iat= -1,1238, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1240,1241,
&end
#
# 83 PRO HG- 80 GLU HA 2.80 (# 129:20 Unique 2.68, 3.09 A)
&rst
ixpk= 129, nxpk= 20, iat= -1,1238, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1286,1287,
&end
#
# 0 AMB 20-2:130 0 AMB 20-1:130 2.80 (# 130:20 Double Ambig)
&rst
ixpk= 130, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 378, 379, 724, 725,2344,2345, 375, 376, 419, 420,
igr2= 373, 722,2342,
&end
#
# 0 AMB 20-2:132 27 GLU HA 2.80 (# 132:20 Single Ambig)
&rst
ixpk= 132, nxpk= 20, iat= -1, 417, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 422, 423, 422, 423,
&end
#
# 0 AMB 20-2:133 27 GLU HA 2.80 (# 133:20 Single Ambig)
&rst
ixpk= 133, nxpk= 20, iat= -1, 417, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 419, 420, 419, 420,
&end
#
# 0 AMB 20-2:134 27 GLU HA 2.80 (# 134:20 Single Ambig)
&rst
ixpk= 134, nxpk= 20, iat= -1, 417, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 520, 521, 522, 524, 525, 526, 621, 622, 623,
&end
#
# 0 AMB 20-2:135 0 AMB 20-1:135 2.80 (# 135:20 Double Ambig)
&rst
ixpk= 135, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 403,1560,1561,
igr2= 398,1558,
&end
#
# 26 LEU HB- 26 LEU HA 2.80 (# 136:20 Unique 2.27, 2.76 A)
&rst
ixpk= 136, nxpk= 20, iat= -1, 398, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 400, 401,
&end
#
# 0 AMB 20-2:137 26 LEU HA 2.80 (# 137:20 Single Ambig)
&rst
ixpk= 137, nxpk= 20, iat= -1, 398, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2200,2201,2202,2204,2205,2206,2200,2201,2202,2204,
2205,2206,
&end
#
# 0 AMB 20-2:138 0 AMB 20-1:138 2.80 (# 138:20 Double Ambig)
&rst
ixpk= 138, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 405, 406, 407, 409, 410, 411,1605,1606,1607,1609,
1610,1611,1508,1509,1510,1512,1513,1514,
igr2= 398,1558,
&end
#
# 0 AMB 20-2:139 16 GLU HA 2.80 (# 139:20 Single Ambig)
&rst
ixpk= 139, nxpk= 20, iat= -1, 247, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 252, 253, 252, 253, 249, 250,
&end
#
# 16 GLU HB+ 16 GLU HA 3.50 (# 140:20 Unique 2.63, 2.83 A)
&rst
ixpk= 140, nxpk= 20, iat= -1, 247, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 249, 250,
&end
#
# 63 ALA MB 16 GLU HA 2.80 (# 141:20 Unique 2.35, 3.45 A)
&rst
ixpk= 141, nxpk= 20, iat= -1, 247, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 969, 970, 971,
&end
#
# 0 AMB 20-2:142 16 GLU HA 3.50 (# 142:20 Single Ambig)
&rst
ixpk= 142, nxpk= 20, iat= -1, 247, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1932,1933,1934,1936,1937,1938, 276, 277, 278,
&end
#
# 101 LEU MDX 101 LEU HA 2.80 (# 143:20 Unique 1.98, 3.07 A)
&rst
ixpk= 143, nxpk= 20, iat= -1,1558, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1565,1566,1567,1569,1570,1571,
&end
#
# 145 VAL HB 142 LEU HA 2.80 (# 144:20 Unique 3.01, 3.18 A)
&rst
ixpk= 144, nxpk= 20, iat=2246,2193, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 20-2:145 142 LEU HA 2.80 (# 145:20 Single Ambig)
&rst
ixpk= 145, nxpk= 20, iat= -1,2193, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2200,2201,2202,2204,2205,2206,2200,2201,2202,2204,
2205,2206,
&end
#
# 0 AMB 20-2:146 142 LEU HA 2.80 (# 146:20 Single Ambig)
&rst
ixpk= 146, nxpk= 20, iat= -1,2193, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2195,2196,2195,2196,
&end
#
# 156 ALA MB 146 LEU HA 4.50 (# 147:20 Unique 2.84, 3.83 A)
&rst
ixpk= 147, nxpk= 20, iat= -1,2260, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2408,2409,2410,
&end
#
# 146 LEU MDX 146 LEU HA 4.50 (# 148:20 Unique 2.14, 3.97 A)
&rst
ixpk= 148, nxpk= 20, iat= -1,2260, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2267,2268,2269,2271,2272,2273,
&end
#
# 146 LEU MDY 146 LEU HA 2.80 (# 149:20 Unique 2.14, 3.97 A)
&rst
ixpk= 149, nxpk= 20, iat= -1,2260, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=2267,2268,2269,2271,2272,2273,
&end
#
# 146 LEU HB- 146 LEU HA 3.50 (# 150:20 Unique 2.30, 2.71 A)
&rst
ixpk= 150, nxpk= 20, iat= -1,2260, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2262,2263,
&end
#
# 122 GLU HG- 122 GLU HA 2.80 (# 151:20 Unique 2.45, 3.37 A)
&rst
ixpk= 151, nxpk= 20, iat= -1,1899, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1904,1905,
&end
#
# 0 AMB 20-2:152 122 GLU HA 4.50 (# 152:20 Single Ambig)
&rst
ixpk= 152, nxpk= 20, iat= -1,1899, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2081,2082,2083,2085,2086,2087,2067,2068,2069,1870,
1871,1872,
&end
#
# 0 AMB 20-2:153 0 AMB 20-1:153 2.80 (# 153:20 Double Ambig)
&rst
ixpk= 153, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1255,1256,1733,1734,1258,1259,
igr2=1253,1731,
&end
#
# 0 AMB 20-2:154 0 AMB 20-1:154 2.80 (# 154:20 Double Ambig)
&rst
ixpk= 154, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1255,1256,1733,1734,
igr2=1253,1731,
&end
#
# 112 LYS HG- 112 LYS HA 2.80 (# 155:20 Unique 2.12, 2.88 A)
&rst
ixpk= 155, nxpk= 20, iat= -1,1731, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1736,1737,
&end
#
# 84 ALA MB 81 GLU HA 2.80 (# 156:20 Unique 2.17, 3.19 A)
&rst
ixpk= 156, nxpk= 20, iat= -1,1253, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1300,1301,1302,
&end
#
# 81 GLU HG+ 81 GLU HA 3.50 (# 157:20 Unique 2.50, 3.43 A)
&rst
ixpk= 157, nxpk= 20, iat= -1,1253, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1258,1259,
&end
#
# 0 AMB 20-2:158 112 LYS HA 2.80 (# 158:20 Single Ambig)
&rst
ixpk= 158, nxpk= 20, iat= -1,1731, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1739,1740,1739,1740,
&end
#
# 0 AMB 20-2:159 142 LEU HA 2.80 (# 159:20 Single Ambig)
&rst
ixpk= 159, nxpk= 20, iat= -1,2193, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 405, 406, 407, 409, 410, 411, 342, 343, 344,
&end
#
# 149 LEU HB+ 149 LEU HA 2.80 (# 160:20 Unique 2.43, 2.80 A)
&rst
ixpk= 160, nxpk= 20, iat= -1,2299, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2301,2302,
&end
#
# 149 LEU HG 149 LEU HA 3.50 (# 161:20 Unique 2.23, 2.44 A)
&rst
ixpk= 161, nxpk= 20, iat=2304,2299, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 146 LEU HB+ 146 LEU HA 2.80 (# 162:20 Unique 2.30, 2.71 A)
&rst
ixpk= 162, nxpk= 20, iat= -1,2260, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2262,2263,
&end
#
# 0 AMB 20-2:163 0 AMB 20-1:163 3.50 (# 163:20 Double Ambig)
&rst
ixpk= 163, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=2265,2291,2292,2293,
igr2=2260,2299,
&end
#
# 0 AMB 20-2:164 0 AMB 20-1:164 2.80 (# 164:20 Double Ambig)
&rst
ixpk= 164, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1733,1734,1100,1101,
igr2= 859,1899,
&end
#
# 122 GLU HB- 122 GLU HA 2.80 (# 165:20 Unique 2.23, 2.69 A)
&rst
ixpk= 165, nxpk= 20, iat= -1,1899, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1901,1902,
&end
#
# 28 GLN HG+ 28 GLN HA 3.50 (# 166:20 Unique 2.58, 3.24 A)
&rst
ixpk= 166, nxpk= 20, iat= -1, 432, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 437, 438,
&end
#
# 0 AMB 20-2:167 28 GLN HA 3.50 (# 167:20 Single Ambig)
&rst
ixpk= 167, nxpk= 20, iat= -1, 432, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 437, 438, 422, 423, 422, 423,
&end
#
# 28 GLN HB+ 28 GLN HA 2.80 (# 168:20 Unique 2.27, 2.66 A)
&rst
ixpk= 168, nxpk= 20, iat= -1, 432, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 434, 435,
&end
#
# 0 AMB 20-2:169 149 LEU HA 3.50 (# 169:20 Single Ambig)
&rst
ixpk= 169, nxpk= 20, iat= -1,2299, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=2301,2302, 58, 59, 60,
&end
#
# 0 AMB 20-2:170 149 LEU HA 2.80 (# 170:20 Single Ambig)
&rst
ixpk= 170, nxpk= 20, iat= -1,2299, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=2306,2307,2308,2310,2311,2312,2306,2307,2308,2310,
2311,2312,2379,2380,2381,2383,2384,2385,
&end
#
# 59 ILE MD1 149 LEU HA 4.50 (# 171:20 Unique 3.74, 4.97 A)
&rst
ixpk= 171, nxpk= 20, iat= -1,2299, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 918, 919, 920,
&end
#
# 154 VAL MGY 149 LEU HA 3.50 (# 172:20 Unique 2.44, 5.12 A)
&rst
ixpk= 172, nxpk= 20, iat= -1,2299, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2379,2380,2381,2383,2384,2385,
&end
#
# 112 LYS HB+ 56 ASP HA 2.80 (# 174:20 Unique 1.95, 3.08 A)
&rst
ixpk= 174, nxpk= 20, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1733,1734,
&end
#
# 112 LYS HG- 56 ASP HA 3.50 (# 175:20 Unique 1.98, 3.50 A)
&rst
ixpk= 175, nxpk= 20, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1736,1737,
&end
#
# 144 GLN HG+ 144 GLN HA 4.50 (# 176:20 Unique 2.24, 3.31 A)
&rst
ixpk= 176, nxpk= 20, iat= -1,2227, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2232,2233,
&end
#
# 110 PHE HB+ 110 PHE HA 4.50 (# 177:20 Unique 2.35, 2.82 A)
&rst
ixpk= 177, nxpk= 20, iat= -1,1697, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1699,1700,
&end
#
# 0 AMB 20-2:178 0 AMB 20-1:178 3.50 (# 178:20 Double Ambig)
&rst
ixpk= 178, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1716,1717,2418,
igr2=1697,2416,
&end
#
# 0 AMB 20-2:179 0 AMB 20-1:179 4.50 (# 179:20 Double Ambig)
&rst
ixpk= 179, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2424,2425,1600,1601,
igr2=2416,1697,
&end
#
# 52 MET HB+ 52 MET HA 2.80 (# 180:20 Unique 2.23, 2.62 A)
&rst
ixpk= 180, nxpk= 20, iat= -1, 794, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 796, 797,
&end
#
# 58 LEU MDX 52 MET HA 4.50 (# 181:20 Unique 1.90, 3.51 A)
&rst
ixpk= 181, nxpk= 20, iat= -1, 794, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 895, 896, 897, 899, 900, 901,
&end
#
# 0 AMB 20-2:182 52 MET HA 2.80 (# 182:20 Single Ambig)
&rst
ixpk= 182, nxpk= 20, iat= -1, 794, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 108, 109, 110, 112, 113, 114,1605,1606,1607,1609,
1610,1611,
&end
#
# 52 MET HG+ 52 MET HA 4.50 (# 183:20 Unique 2.59, 3.19 A)
&rst
ixpk= 183, nxpk= 20, iat= -1, 794, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 799, 800,
&end
#
# 99 ASP HB+ 99 ASP HA 3.50 (# 184:20 Unique 2.48, 2.82 A)
&rst
ixpk= 184, nxpk= 20, iat= -1,1530, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1532,1533,
&end
#
# 0 AMB 20-2:185 0 AMB 20-1:185 2.80 (# 185:20 Double Ambig)
&rst
ixpk= 185, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 861, 862,1532,1533,
igr2= 859,1530,
&end
#
# 56 ASP HB- 56 ASP HA 3.50 (# 186:20 Unique 2.37, 2.79 A)
&rst
ixpk= 186, nxpk= 20, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 861, 862,
&end
#
# 0 AMB 20-2:187 29 ARG HA 2.80 (# 187:20 Single Ambig)
&rst
ixpk= 187, nxpk= 20, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 454, 455, 451, 452,
&end
#
# 29 ARG HG+ 29 ARG HA 2.80 (# 188:20 Unique 2.29, 3.14 A)
&rst
ixpk= 188, nxpk= 20, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 454, 455,
&end
#
# 0 AMB 20-2:189 144 GLN HA 4.50 (# 189:20 Single Ambig)
&rst
ixpk= 189, nxpk= 20, iat= -1,2227, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2232,2233,2217,2218,
&end
#
# 0 AMB 20-2:190 144 GLN HA 2.80 (# 190:20 Single Ambig)
&rst
ixpk= 190, nxpk= 20, iat= -1,2227, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2229,2230,2217,2218,
&end
#
# 147 ALA MB 144 GLN HA 2.80 (# 191:20 Unique 2.39, 3.48 A)
&rst
ixpk= 191, nxpk= 20, iat= -1,2227, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=2281,2282,2283,
&end
#
# 0 AMB 20-2:192 95 LEU HA 2.80 (# 192:20 Single Ambig)
&rst
ixpk= 192, nxpk= 20, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1477,1478,1480,
&end
#
# 95 LEU MDX 95 LEU HA 3.50 (# 193:20 Unique 2.00, 3.18 A)
&rst
ixpk= 193, nxpk= 20, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1482,1483,1484,1486,1487,1488,
&end
#
# 0 AMB 20-2:194 52 MET HA 3.50 (# 194:20 Single Ambig)
&rst
ixpk= 194, nxpk= 20, iat= -1, 794, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 796, 797, 840, 841,
&end
#
# 85 LEU MDX 86 PHE HA 2.80 (# 195:20 Unique 2.22, 3.93 A)
&rst
ixpk= 195, nxpk= 20, iat= -1,1327, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1315,1316,1317,1319,1320,1321,
&end
#
# 79 ASP HB+ 79 ASP HA 2.80 (# 196:20 Unique 2.23, 2.59 A)
&rst
ixpk= 196, nxpk= 20, iat= -1,1226, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1228,1229,
&end
#
# 159 ARG HB+ 159 ARG HA 2.80 (# 197:20 Unique 2.53, 2.78 A)
&rst
ixpk= 197, nxpk= 20, iat= -1,2449, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2451,2452,
&end
#
# 0 AMB 20-2:198 85 LEU HA 2.80 (# 198:20 Single Ambig)
&rst
ixpk= 198, nxpk= 20, iat= -1,1308, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1310,1311,1313,
&end
#
# 31 ILE HG1- 159 ARG HA 4.50 (# 199:20 Unique 1.91, 2.53 A)
&rst
ixpk= 199, nxpk= 20, iat= -1,2449, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 502, 503,
&end
#
# 0 AMB 20-2:200 0 AMB 20-1:200 2.80 (# 200:20 Double Ambig)
&rst
ixpk= 200, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1315,1316,1317,1319,1320,1321, 505, 506, 507,
igr2=1308,2449,
&end
#
# 85 LEU MDY 85 LEU HA 3.50 (# 201:20 Unique 1.99, 3.61 A)
&rst
ixpk= 201, nxpk= 20, iat= -1,1308, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1315,1316,1317,1319,1320,1321,
&end
#
# 97 LEU HB- 97 LEU HA 3.50 (# 202:20 Unique 2.60, 2.83 A)
&rst
ixpk= 202, nxpk= 20, iat= -1,1501, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1503,1504,
&end
#
# 0 AMB 20-2:203 97 LEU HA 4.50 (# 203:20 Single Ambig)
&rst
ixpk= 203, nxpk= 20, iat= -1,1501, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 744, 745, 746, 748, 749, 750, 131, 132, 133, 135,
136, 137, 131, 132, 133, 135, 136, 137,
&end
#
# 0 AMB 20-2:205 86 PHE HA 4.50 (# 205:20 Single Ambig)
&rst
ixpk= 205, nxpk= 20, iat= -1,1327, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1329,1330,1363,1364,1363,1364,
&end
#
# 0 AMB 20-2:206 86 PHE HA 4.50 (# 206:20 Single Ambig)
&rst
ixpk= 206, nxpk= 20, iat= -1,1327, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1460,1461,1460,1461,
&end
#
# 0 AMB 20-2:207 0 AMB 20-1:207 4.50 (# 207:20 Double Ambig)
&rst
ixpk= 207, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
igr1=1522,1523,1524,1310,1311,1874,1875,1874,1875,1405,
1406,1313,1050,1051,1050,1051,
igr2=1327,1012,
&end
#
# 51 ASP HB+ 51 ASP HA 2.80 (# 208:20 Unique 2.34, 2.71 A)
&rst
ixpk= 208, nxpk= 20, iat= -1, 782, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 784, 785,
&end
#
# 51 ASP HB- 51 ASP HA 2.80 (# 209:20 Unique 2.34, 2.71 A)
&rst
ixpk= 209, nxpk= 20, iat= -1, 782, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 784, 785,
&end
#
# 0 AMB 20-2:210 79 ASP HA 2.80 (# 210:20 Single Ambig)
&rst
ixpk= 210, nxpk= 20, iat= -1,1226, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1777,1778,1286,1287,1204,1205,
&end
#
# 0 AMB 20-2:211 21 ARG HA 4.50 (# 211:20 Single Ambig)
&rst
ixpk= 211, nxpk= 20, iat= -1, 314, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 302, 303, 304, 306, 307, 308, 302, 303, 304, 306,
307, 308,
&end
#
# 100 VAL HB 97 LEU HA 3.50 (# 212:20 Unique 2.28, 2.38 A)
&rst
ixpk= 212, nxpk= 20, iat=1544,1501, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:213 97 LEU HA 2.80 (# 213:20 Single Ambig)
&rst
ixpk= 213, nxpk= 20, iat= -1,1501, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1=1503,1504,1546,1547,1548,1550,1551,1552,1546,1547,
1548,1550,1551,1552,
&end
#
# 0 AMB 20-2:214 97 LEU HA 2.80 (# 214:20 Single Ambig)
&rst
ixpk= 214, nxpk= 20, iat= -1,1501, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1508,1509,1510,1512,1513,1514,1508,1509,1510,1512,
1513,1514,
&end
#
# 128 ILE MD1 127 HIS HA 4.50 (# 215:20 Unique 2.99, 5.02 A)
&rst
ixpk= 215, nxpk= 20, iat= -1,1973, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2001,2002,2003,
&end
#
# 0 AMB 20-2:216 127 HIS HA 4.50 (# 216:20 Single Ambig)
&rst
ixpk= 216, nxpk= 20, iat= -1,1973, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1998,1999,1992,
&end
#
# 0 AMB 20-2:217 104 LEU HA 4.50 (# 217:20 Single Ambig)
&rst
ixpk= 217, nxpk= 20, iat= -1,1598, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1600,1601,1684,1685,
&end
#
# 104 LEU HB- 104 LEU HA 4.50 (# 218:20 Unique 2.56, 2.83 A)
&rst
ixpk= 218, nxpk= 20, iat= -1,1598, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1600,1601,
&end
#
# 104 LEU MDX 104 LEU HA 2.80 (# 219:20 Unique 1.81, 3.26 A)
&rst
ixpk= 219, nxpk= 20, iat= -1,1598, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1605,1606,1607,1609,1610,1611,
&end
#
# 0 AMB 20-2:221 0 AMB 20-1:221 2.80 (# 221:20 Double Ambig)
&rst
ixpk= 221, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1=1665,1666,1667,1380,1381,
igr2=1598,1375,
&end
#
# 0 AMB 20-2:222 21 ARG HA 4.50 (# 222:20 Single Ambig)
&rst
ixpk= 222, nxpk= 20, iat= -1, 314, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 302, 303, 304, 306, 307, 308, 302, 303, 304, 306,
307, 308,
&end
#
# 0 AMB 20-2:223 21 ARG HA 2.80 (# 223:20 Single Ambig)
&rst
ixpk= 223, nxpk= 20, iat= -1, 314, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 316, 317, 316, 317,
&end
#
# 67 LYS HG+ 68 LYS HA 4.50 (# 225:20 Unique 3.90, 4.49 A)
&rst
ixpk= 225, nxpk= 20, iat= -1,1045, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1028,1029,
&end
#
# 89 LYS HD+ 89 LYS HA 3.50 (# 226:20 Unique 2.00, 3.45 A)
&rst
ixpk= 226, nxpk= 20, iat= -1,1375, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1383,1384,
&end
#
# 0 AMB 20-2:227 0 AMB 20-1:227 3.50 (# 227:20 Double Ambig)
&rst
ixpk= 227, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1377,1378,1684,1685,
igr2=1375,1598,
&end
#
# 0 AMB 20-2:228 34 ASP HA 2.80 (# 228:20 Single Ambig)
&rst
ixpk= 228, nxpk= 20, iat= -1, 546, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 548, 549, 548, 549,
&end
#
# 49 LEU HB+ 46 MET HA 4.50 (# 229:20 Unique 4.10, 5.33 A)
&rst
ixpk= 229, nxpk= 20, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 758, 759,
&end
#
# 46 MET HG- 46 MET HA 4.50 (# 230:20 Unique 2.06, 3.29 A)
&rst
ixpk= 230, nxpk= 20, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 710, 711,
&end
#
# 0 AMB 20-2:231 46 MET HA 2.80 (# 231:20 Single Ambig)
&rst
ixpk= 231, nxpk= 20, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 707, 708, 707, 708,
&end
#
# 0 AMB 20-2:232 46 MET HA 2.80 (# 232:20 Single Ambig)
&rst
ixpk= 232, nxpk= 20, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1546,1547,1548,1550,1551,1552,1546,1547,1548,1550,
1551,1552,
&end
#
# 68 LYS HB+ 68 LYS HA 2.80 (# 233:20 Unique 2.29, 2.59 A)
&rst
ixpk= 233, nxpk= 20, iat= -1,1045, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1047,1048,
&end
#
# 0 AMB 20-2:234 68 LYS HA 2.80 (# 234:20 Single Ambig)
&rst
ixpk= 234, nxpk= 20, iat= -1,1045, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1053,1054,1053,1054,1047,1048,
&end
#
# 0 AMB 20-2:235 0 AMB 20-1:235 2.80 (# 235:20 Double Ambig)
&rst
ixpk= 235, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1758,1759,1028,1029,1755,1756,
igr2=1753,1023,
&end
#
# 113 LYS HG+ 113 LYS HA 4.50 (# 236:20 Unique 2.11, 2.64 A)
&rst
ixpk= 236, nxpk= 20, iat= -1,1753, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1758,1759,
&end
#
# 67 LYS HB+ 67 LYS HA 2.80 (# 237:20 Unique 2.33, 2.70 A)
&rst
ixpk= 237, nxpk= 20, iat= -1,1023, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1025,1026,
&end
#
# 0 AMB 20-2:238 67 LYS HA 2.80 (# 238:20 Single Ambig)
&rst
ixpk= 238, nxpk= 20, iat= -1,1023, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1025,1026,1053,1054,1053,1054,
&end
#
# 103 ALA MB 103 ALA HA 2.80 (# 239:20 Unique 2.22, 2.63 A)
&rst
ixpk= 239, nxpk= 20, iat= -1,1588, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1590,1591,1592,
&end
#
# 0 AMB 20-2:240 0 AMB 20-1:240 4.50 (# 240:20 Double Ambig)
&rst
ixpk= 240, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 209, 210, 211, 213, 214, 215, 763, 764, 765, 767,
768, 769,
igr2=1944,1588,
&end
#
# 0 AMB 20-2:241 141 ALA HA 4.50 (# 241:20 Single Ambig)
&rst
ixpk= 241, nxpk= 20, iat= -1,2183, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 349, 350, 351, 342, 343, 344,1854,1855,1856,1858,
1859,1860,
&end
#
# 101 LEU HB+ 98 ALA HA 5.50 (# 242:20 Unique 2.60, 3.74 A)
&rst
ixpk= 242, nxpk= 20, iat= -1,1520, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1560,1561,
&end
#
# 101 LEU MDY 98 ALA HA 3.50 (# 243:20 Unique 3.54, 5.48 A)
&rst
ixpk= 243, nxpk= 20, iat= -1,1520, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1565,1566,1567,1569,1570,1571,
&end
#
# 98 ALA MB 98 ALA HA 2.80 (# 244:20 Unique 2.25, 2.63 A)
&rst
ixpk= 244, nxpk= 20, iat= -1,1520, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1522,1523,1524,
&end
#
# 0 AMB 20-2:245 0 AMB 20-1:245 4.50 (# 245:20 Double Ambig)
&rst
ixpk= 245, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1964,1965,1600,1601,1684,1685,1560,1561,
igr2=1944,1588,
&end
#
# 125 GLU HB+ 125 GLU HA 3.50 (# 246:20 Unique 2.27, 2.75 A)
&rst
ixpk= 246, nxpk= 20, iat= -1,1944, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1946,1947,
&end
#
# 0 AMB 20-2:247 125 GLU HA 3.50 (# 247:20 Single Ambig)
&rst
ixpk= 247, nxpk= 20, iat= -1,1944, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1949,1950,1949,1950,
&end
#
# 125 GLU HB- 125 GLU HA 2.80 (# 248:20 Unique 2.27, 2.75 A)
&rst
ixpk= 248, nxpk= 20, iat= -1,1944, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1946,1947,
&end
#
# 74 MET HG- 141 ALA HA 4.50 (# 249:20 Unique 2.35, 3.86 A)
&rst
ixpk= 249, nxpk= 20, iat= -1,2183, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1135,1136,
&end
#
# 0 AMB 20-2:250 141 ALA HA 3.50 (# 250:20 Single Ambig)
&rst
ixpk= 250, nxpk= 20, iat= -1,2183, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1135,1136,2229,2230,
&end
#
# 74 MET ME 141 ALA HA 4.50 (# 251:20 Unique 2.67, 4.45 A)
&rst
ixpk= 251, nxpk= 20, iat= -1,2183, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1139,1140,1141,
&end
#
# 141 ALA MB 141 ALA HA 2.80 (# 252:20 Unique 2.36, 2.63 A)
&rst
ixpk= 252, nxpk= 20, iat= -1,2183, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=2185,2186,2187,
&end
#
# 0 AMB 20-2:253 141 ALA HA 2.80 (# 253:20 Single Ambig)
&rst
ixpk= 253, nxpk= 20, iat= -1,2183, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1=1831,1832,1833,1835,1836,1837, 346, 347,2248,2249,
2250,2252,2253,2254,
&end
#
# 150 ARG HB+ 147 ALA HA 3.50 (# 254:20 Unique 2.80, 3.74 A)
&rst
ixpk= 254, nxpk= 20, iat= -1,2279, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2320,2321,
&end
#
# 150 ARG HB- 147 ALA HA 3.50 (# 255:20 Unique 2.80, 3.74 A)
&rst
ixpk= 255, nxpk= 20, iat= -1,2279, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2320,2321,
&end
#
# 147 ALA MB 147 ALA HA 2.80 (# 256:20 Unique 2.22, 2.63 A)
&rst
ixpk= 256, nxpk= 20, iat= -1,2279, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=2281,2282,2283,
&end
#
# 0 AMB 20-2:257 109 GLU HA 2.80 (# 257:20 Single Ambig)
&rst
ixpk= 257, nxpk= 20, iat= -1,1682, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1687,1688,1687,1688,1684,1685,
&end
#
# 109 GLU HB- 109 GLU HA 4.50 (# 258:20 Unique 2.42, 2.82 A)
&rst
ixpk= 258, nxpk= 20, iat= -1,1682, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1684,1685,
&end
#
# 0 AMB 20-2:259 0 AMB 20-1:259 3.50 (# 259:20 Double Ambig)
&rst
ixpk= 259, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 600, 601, 784, 785,
igr2= 595, 737,
&end
#
# 37 GLU HG+ 37 GLU HA 3.50 (# 260:20 Unique 2.04, 3.13 A)
&rst
ixpk= 260, nxpk= 20, iat= -1, 595, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 600, 601,
&end
#
# 0 AMB 20-2:261 37 GLU HA 2.80 (# 261:20 Single Ambig)
&rst
ixpk= 261, nxpk= 20, iat= -1, 595, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 597, 598, 597, 598,
&end
#
# 28 GLN HB- 25 ALA HA 2.80 (# 262:20 Unique 2.39, 3.53 A)
&rst
ixpk= 262, nxpk= 20, iat= -1, 388, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 434, 435,
&end
#
# 25 ALA MB 25 ALA HA 2.80 (# 263:20 Unique 2.26, 2.63 A)
&rst
ixpk= 263, nxpk= 20, iat= -1, 388, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 390, 391, 392,
&end
#
# 0 AMB 20-2:264 12 LEU HA 2.80 (# 264:20 Single Ambig)
&rst
ixpk= 264, nxpk= 20, iat= -1, 183, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1= 185, 186, 185, 186, 188,
&end
#
# 0 AMB 20-2:265 12 LEU HA 2.80 (# 265:20 Single Ambig)
&rst
ixpk= 265, nxpk= 20, iat= -1, 183, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1998,1999, 190, 191, 192, 194, 195, 196,
&end
#
# 0 AMB 20-2:266 12 LEU HA 2.80 (# 266:20 Single Ambig)
&rst
ixpk= 266, nxpk= 20, iat= -1, 183, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=2001,2002,2003, 190, 191, 192, 194, 195, 196,
&end
#
# 75 MET HG- 75 MET HA 3.50 (# 267:20 Unique 2.15, 2.52 A)
&rst
ixpk= 267, nxpk= 20, iat= -1,1147, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1152,1153,
&end
#
# 75 MET HB- 75 MET HA 4.50 (# 268:20 Unique 2.73, 2.85 A)
&rst
ixpk= 268, nxpk= 20, iat= -1,1147, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1149,1150,
&end
#
# 0 AMB 20-2:269 75 MET HA 4.50 (# 269:20 Single Ambig)
&rst
ixpk= 269, nxpk= 20, iat= -1,1147, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1190,1191,1192,1194,1195,1196,1190,1191,1192,1194,
1195,1196,1854,1855,1856,1858,1859,1860,
&end
#
# 48 LEU HG 48 LEU HA 3.50 (# 270:20 Unique 2.43, 3.54 A)
&rst
ixpk= 270, nxpk= 20, iat= 742, 737, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 48 LEU HB- 48 LEU HA 2.80 (# 271:20 Unique 2.35, 2.70 A)
&rst
ixpk= 271, nxpk= 20, iat= -1, 737, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 739, 740,
&end
#
# 48 LEU MDX 48 LEU HA 2.80 (# 272:20 Unique 2.05, 3.70 A)
&rst
ixpk= 272, nxpk= 20, iat= -1, 737, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 744, 745, 746, 748, 749, 750,
&end
#
# 151 GLU HG+ 148 ALA HA 4.50 (# 273:20 Unique 2.81, 4.13 A)
&rst
ixpk= 273, nxpk= 20, iat= -1,2289, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2347,2348,
&end
#
# 151 GLU HB+ 148 ALA HA 4.50 (# 274:20 Unique 2.56, 3.61 A)
&rst
ixpk= 274, nxpk= 20, iat= -1,2289, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2344,2345,
&end
#
# 148 ALA MB 148 ALA HA 2.80 (# 275:20 Unique 2.22, 2.63 A)
&rst
ixpk= 275, nxpk= 20, iat= -1,2289, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=2291,2292,2293,
&end
#
# 84 ALA MB 84 ALA HA 2.80 (# 276:20 Unique 2.22, 2.63 A)
&rst
ixpk= 276, nxpk= 20, iat= -1,1298, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1300,1301,1302,
&end
#
# 87 THR MG2 84 ALA HA 3.50 (# 277:20 Unique 2.17, 2.71 A)
&rst
ixpk= 277, nxpk= 20, iat= -1,1298, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1351,1352,1353,
&end
#
# 0 AMB 20-2:278 0 AMB 20-1:278 4.50 (# 278:20 Double Ambig)
&rst
ixpk= 278, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 15, 16, 17, 166,
igr2= 6, 183,
&end
#
# 0 AMB 20-2:279 75 MET HA 3.50 (# 279:20 Single Ambig)
&rst
ixpk= 279, nxpk= 20, iat= -1,1147, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1149,1150,1139,1140,1141,
&end
#
# 54 ASN HB+ 54 ASN HA 3.50 (# 280:20 Unique 2.32, 2.72 A)
&rst
ixpk= 280, nxpk= 20, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 823, 824,
&end
#
# 54 ASN HB- 54 ASN HA 4.50 (# 281:20 Unique 2.32, 2.72 A)
&rst
ixpk= 281, nxpk= 20, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 823, 824,
&end
#
# 0 AMB 20-2:282 1 MET HA 5.50 (# 282:20 Single Ambig)
&rst
ixpk= 282, nxpk= 20, iat= -1, 6, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 11, 12, 861, 862,
&end
#
# 1 MET HG- 1 MET HA 5.50 (# 283:20 Unique 2.51, 3.25 A)
&rst
ixpk= 283, nxpk= 20, iat= -1, 6, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 11, 12,
&end
#
# 0 AMB 20-2:284 1 MET HA 3.50 (# 284:20 Single Ambig)
&rst
ixpk= 284, nxpk= 20, iat= -1, 6, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 8, 9, 28, 29,
&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= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=2396,2397,1684,1685,
igr2=2391, 821,
&end
#
# 155 GLU HB+ 155 GLU HA 2.80 (# 286:20 Unique 2.34, 2.68 A)
&rst
ixpk= 286, nxpk= 20, iat= -1,2391, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2393,2394,
&end
#
# 0 AMB 20-2:287 155 GLU HA 2.80 (# 287:20 Single Ambig)
&rst
ixpk= 287, nxpk= 20, iat= -1,2391, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2323,2324,2393,2394,
&end
#
# 150 ARG HG+ 155 GLU HA 5.50 (# 288:20 Unique 2.21, 4.32 A)
&rst
ixpk= 288, nxpk= 20, iat= -1,2391, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2323,2324,
&end
#
# 156 ALA MB 155 GLU HA 4.50 (# 289:20 Unique 4.21, 4.98 A)
&rst
ixpk= 289, nxpk= 20, iat= -1,2391, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2408,2409,2410,
&end
#
# 0 AMB 20-2:290 155 GLU HA 4.50 (# 290:20 Single Ambig)
&rst
ixpk= 290, nxpk= 20, iat= -1,2391, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2379,2380,2381,2383,2384,2385,2306,2307,2308,2310,
2311,2312,
&end
#
# 136 ALA MB 136 ALA HA 2.80 (# 291:20 Unique 2.28, 2.63 A)
&rst
ixpk= 291, nxpk= 20, iat= -1,2108, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=2110,2111,2112,
&end
#
# 44 ALA MB 44 ALA HA 2.80 (# 294:20 Unique 2.22, 2.63 A)
&rst
ixpk= 294, nxpk= 20, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 690, 691, 692,
&end
#
# 0 AMB 20-2:295 44 ALA HA 3.50 (# 295:20 Single Ambig)
&rst
ixpk= 295, nxpk= 20, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 131, 132, 133, 135, 136, 137, 131, 132, 133, 135,
136, 137, 744, 745, 746, 748, 749, 750,
&end
#
# 0 AMB 20-2:296 53 ALA HA 4.50 (# 296:20 Single Ambig)
&rst
ixpk= 296, nxpk= 20, iat= -1, 811, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1684,1685,1687,1688,1687,1688,
&end
#
# 53 ALA MB 53 ALA HA 2.80 (# 297:20 Unique 2.22, 2.63 A)
&rst
ixpk= 297, nxpk= 20, iat= -1, 811, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 813, 814, 815,
&end
#
# 104 LEU MDX 53 ALA HA 2.80 (# 298:20 Unique 1.85, 3.55 A)
&rst
ixpk= 298, nxpk= 20, iat= -1, 811, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1605,1606,1607,1609,1610,1611,
&end
#
# 109 GLU HB- 53 ALA HA 5.50 (# 299:20 Unique 1.76, 3.01 A)
&rst
ixpk= 299, nxpk= 20, iat= -1, 811, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1684,1685,
&end
#
# 20 VAL HB 17 ALA HA 5.50 (# 300:20 Unique 2.99, 3.24 A)
&rst
ixpk= 300, nxpk= 20, iat= 300, 262, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 ALA MB 17 ALA HA 2.80 (# 301:20 Unique 2.25, 2.63 A)
&rst
ixpk= 301, nxpk= 20, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 264, 265, 266,
&end
#
# 11 ILE MG2 17 ALA HA 3.50 (# 302:20 Unique 2.00, 3.53 A)
&rst
ixpk= 302, nxpk= 20, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 168, 169, 170,
&end
#
# 0 AMB 20-2:303 17 ALA HA 4.50 (# 303:20 Single Ambig)
&rst
ixpk= 303, nxpk= 20, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 302, 303, 304, 306, 307, 308, 302, 303, 304, 306,
307, 308,1994,1995,1996,
&end
#
# 0 AMB 20-2:304 10 ASN HA 4.50 (# 304:20 Single Ambig)
&rst
ixpk= 304, nxpk= 20, iat= -1, 150, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 172, 173, 172, 173,
&end
#
# 43 THR MG2 10 ASN HA 3.50 (# 305:20 Unique 1.88, 2.60 A)
&rst
ixpk= 305, nxpk= 20, iat= -1, 150, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 678, 679, 680,
&end
#
# 0 AMB 20-2:306 156 ALA HA 4.50 (# 306:20 Single Ambig)
&rst
ixpk= 306, nxpk= 20, iat= -1,2406, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2424,2425, 518,
&end
#
# 156 ALA MB 156 ALA HA 2.80 (# 307:20 Unique 2.25, 2.63 A)
&rst
ixpk= 307, nxpk= 20, iat= -1,2406, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=2408,2409,2410,
&end
#
# 0 AMB 20-2:308 156 ALA HA 5.50 (# 308:20 Single Ambig)
&rst
ixpk= 308, nxpk= 20, iat= -1,2406, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=2427,2428,2429,2379,2380,2381,2383,2384,2385,
&end
#
# 32 LEU MDX 156 ALA HA 2.80 (# 309:20 Unique 2.75, 4.67 A)
&rst
ixpk= 309, nxpk= 20, iat= -1,2406, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 520, 521, 522, 524, 525, 526,
&end
#
# 71 PRO HB+ 71 PRO HD- 5.50 (# 310:20 Unique 2.98, 3.70 A)
&rst
ixpk= 310, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1100,1101,
igr2=1094,1095,
&end
#
# 71 PRO HG- 71 PRO HD- 3.50 (# 311:20 Unique 2.30, 2.58 A)
&rst
ixpk= 311, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1097,1098,
igr2=1094,1095,
&end
#
# 70 THR MG2 71 PRO HD- 4.50 (# 312:20 Unique 1.94, 3.33 A)
&rst
ixpk= 312, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1085,1086,1087,
igr2=1094,1095,
&end
#
# 71 PRO HG+ 71 PRO HD- 4.50 (# 313:20 Unique 2.30, 2.58 A)
&rst
ixpk= 313, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1097,1098,
igr2=1094,1095,
&end
#
# 71 PRO HB+ 71 PRO HD+ 4.50 (# 314:20 Unique 2.98, 3.70 A)
&rst
ixpk= 314, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1100,1101,
igr2=1094,1095,
&end
#
# 71 PRO HG+ 71 PRO HD+ 3.50 (# 315:20 Unique 2.30, 2.58 A)
&rst
ixpk= 315, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1097,1098,
igr2=1094,1095,
&end
#
# 71 PRO HG- 71 PRO HD+ 3.50 (# 316:20 Unique 2.30, 2.58 A)
&rst
ixpk= 316, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1097,1098,
igr2=1094,1095,
&end
#
# 71 PRO HB+ 71 PRO HD+ 4.50 (# 317:20 Unique 2.98, 3.70 A)
&rst
ixpk= 317, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1100,1101,
igr2=1094,1095,
&end
#
# 70 THR MG2 71 PRO HD+ 4.50 (# 318:20 Unique 1.94, 3.33 A)
&rst
ixpk= 318, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1085,1086,1087,
igr2=1094,1095,
&end
#
# 10 ASN HB- 10 ASN HA 3.50 (# 319:20 Unique 2.31, 2.80 A)
&rst
ixpk= 319, nxpk= 20, iat= -1, 150, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 152, 153,
&end
#
# 0 AMB 20-2:320 0 AMB 20-1:320 4.50 (# 320:20 Double Ambig)
&rst
ixpk= 320, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1887,1888,1890,1891,
igr2=1884,1885,1884,1885,
&end
#
# 121 PRO HG- 121 PRO HD+ 3.50 (# 321:20 Unique 2.30, 2.58 A)
&rst
ixpk= 321, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1887,1888,
igr2=1884,1885,
&end
#
# 120 ILE MG2 121 PRO HD+ 3.50 (# 322:20 Unique 2.00, 3.63 A)
&rst
ixpk= 322, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1870,1871,1872,
igr2=1884,1885,
&end
#
# 0 AMB 20-2:323 0 AMB 20-1:323 4.50 (# 323:20 Double Ambig)
&rst
ixpk= 323, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2440,2441,2418,
igr2=2434,2435,2434,2435,
&end
#
# 0 AMB 20-2:324 0 AMB 20-1:324 3.50 (# 324:20 Double Ambig)
&rst
ixpk= 324, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=2437,2438,2440,2441,
igr2=2434,2435,2434,2435,
&end
#
# 158 PRO HG- 158 PRO HD+ 3.50 (# 325:20 Unique 2.30, 2.58 A)
&rst
ixpk= 325, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2437,2438,
igr2=2434,2435,
&end
#
# 157 ILE MG2 158 PRO HD+ 3.50 (# 326:20 Unique 2.17, 3.87 A)
&rst
ixpk= 326, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2420,2421,2422,
igr2=2434,2435,
&end
#
# 63 ALA MB 121 PRO HD- 4.50 (# 327:20 Unique 2.00, 4.10 A)
&rst
ixpk= 327, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 969, 970, 971,
igr2=1884,1885,
&end
#
# 0 AMB 20-2:328 0 AMB 20-1:328 2.80 (# 328:20 Double Ambig)
&rst
ixpk= 328, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1887,1888,2437,2438,
igr2=1884,1885,2434,2435,
&end
#
# 0 AMB 20-2:329 158 PRO HD- 2.80 (# 329:20 Single Ambig)
&rst
ixpk= 329, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=2437,2438,2440,2441,
igr2=2434,2435,
&end
#
# 0 AMB 20-2:330 0 AMB 20-1:330 3.50 (# 330:20 Double Ambig)
&rst
ixpk= 330, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=2440,2441,1890,1891,2418,
igr2=2434,2435,1884,1885,
&end
#
# 157 ILE MG2 158 PRO HD- 2.80 (# 331:20 Unique 2.17, 3.87 A)
&rst
ixpk= 331, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=2420,2421,2422,
igr2=2434,2435,
&end
#
# 92 PRO HB- 92 PRO HD+ 2.80 (# 332:20 Unique 2.98, 3.70 A)
&rst
ixpk= 332, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1432,1433,
igr2=1426,1427,
&end
#
# 125 GLU HB+ 126 PRO HD+ 4.50 (# 333:20 Unique 1.96, 3.67 A)
&rst
ixpk= 333, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1946,1947,
igr2=1958,1959,
&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= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1961,1962,1961,1962,
igr2=1958,1959,1958,1959,
&end
#
# 125 GLU HB+ 126 PRO HD- 4.50 (# 335:20 Unique 1.96, 3.67 A)
&rst
ixpk= 335, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1946,1947,
igr2=1958,1959,
&end
#
# 32 LEU HB+ 33 PRO HD- 5.50 (# 336:20 Unique 1.85, 3.35 A)
&rst
ixpk= 336, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 515, 516,
igr2= 531, 532,
&end
#
# 32 LEU HB- 33 PRO HD- 4.50 (# 337:20 Unique 1.85, 3.35 A)
&rst
ixpk= 337, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 515, 516,
igr2= 531, 532,
&end
#
# 33 PRO HG- 33 PRO HD- 2.80 (# 338:20 Unique 2.30, 2.58 A)
&rst
ixpk= 338, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 534, 535,
igr2= 531, 532,
&end
#
# 33 PRO HG+ 33 PRO HD- 4.50 (# 339:20 Unique 2.30, 2.58 A)
&rst
ixpk= 339, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 534, 535,
igr2= 531, 532,
&end
#
# 0 AMB 20-2:340 33 PRO HD- 2.80 (# 340:20 Single Ambig)
&rst
ixpk= 340, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 583, 584, 585, 587, 588, 589,2379,2380,2381,2383,
2384,2385,
igr2= 531, 532,
&end
#
# 126 PRO HB+ 126 PRO HD+ 2.80 (# 341:20 Unique 2.98, 3.70 A)
&rst
ixpk= 341, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1964,1965,
igr2=1958,1959,
&end
#
# 125 GLU HB- 126 PRO HD+ 3.50 (# 342:20 Unique 1.96, 3.67 A)
&rst
ixpk= 342, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1946,1947,
igr2=1958,1959,
&end
#
# 13 LEU MDX 126 PRO HD+ 5.50 (# 343:20 Unique 3.40, 6.31 A)
&rst
ixpk= 343, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 209, 210, 211, 213, 214, 215,
igr2=1958,1959,
&end
#
# 126 PRO HB+ 126 PRO HD- 2.80 (# 344:20 Unique 2.98, 3.70 A)
&rst
ixpk= 344, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1964,1965,
igr2=1958,1959,
&end
#
# 125 GLU HB- 126 PRO HD- 2.80 (# 345:20 Unique 1.96, 3.67 A)
&rst
ixpk= 345, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1946,1947,
igr2=1958,1959,
&end
#
# 0 AMB 20-2:346 126 PRO HD- 3.50 (# 346:20 Single Ambig)
&rst
ixpk= 346, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1961,1962,1961,1962,
igr2=1958,1959,
&end
#
# 0 AMB 20-2:347 126 PRO HD- 4.50 (# 347:20 Single Ambig)
&rst
ixpk= 347, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1949,1950,1949,1950,
igr2=1958,1959,
&end
#
# 122 GLU HG- 132 PRO HD+ 4.50 (# 348:20 Unique 3.21, 5.34 A)
&rst
ixpk= 348, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1904,1905,
igr2=2048,2049,
&end
#
# 122 GLU HG+ 132 PRO HD+ 3.50 (# 349:20 Unique 3.21, 5.34 A)
&rst
ixpk= 349, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1904,1905,
igr2=2048,2049,
&end
#
# 131 THR MG2 132 PRO HD+ 5.50 (# 350:20 Unique 1.96, 4.19 A)
&rst
ixpk= 350, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2039,2040,2041,
igr2=2048,2049,
&end
#
# 131 THR MG2 132 PRO HD- 4.50 (# 351:20 Unique 1.96, 4.19 A)
&rst
ixpk= 351, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2039,2040,2041,
igr2=2048,2049,
&end
#
# 132 PRO HB- 132 PRO HD- 4.50 (# 352:20 Unique 2.98, 3.70 A)
&rst
ixpk= 352, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2054,2055,
igr2=2048,2049,
&end
#
# 131 THR MG2 132 PRO HD- 4.50 (# 353:20 Unique 1.96, 4.19 A)
&rst
ixpk= 353, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2039,2040,2041,
igr2=2048,2049,
&end
#
# 0 AMB 20-2:354 0 AMB 20-1:354 2.80 (# 354:20 Double Ambig)
&rst
ixpk= 354, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=2171,2172,2054,2055,2174,2175,
igr2=2168,2169,2048,2049,2168,2169,
&end
#
# 0 AMB 20-2:355 0 AMB 20-1:355 2.80 (# 355:20 Double Ambig)
&rst
ixpk= 355, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=2156,2157,2156,2157,2171,2172,
igr2=2168,2169,2168,2169,2168,2169,
&end
#
# 0 AMB 20-2:356 0 AMB 20-1:356 4.50 (# 356:20 Double Ambig)
&rst
ixpk= 356, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=2174,2175,1901,1902,2143,2144,
igr2=2168,2169,2048,2049,2168,2169,
&end
#
# 0 AMB 20-2:357 140 PRO HD- 2.80 (# 357:20 Single Ambig)
&rst
ixpk= 357, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2156,2157,2156,2157,2171,2172,
igr2=2168,2169,
&end
#
# 140 PRO HB- 140 PRO HD- 4.50 (# 358:20 Unique 2.98, 3.70 A)
&rst
ixpk= 358, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2174,2175,
igr2=2168,2169,
&end
#
# 0 AMB 20-2:359 140 PRO HD- 2.80 (# 359:20 Single Ambig)
&rst
ixpk= 359, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=2171,2172,2174,2175,
igr2=2168,2169,
&end
#
# 0 AMB 20-2:360 83 PRO HD- 3.50 (# 360:20 Single Ambig)
&rst
ixpk= 360, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1289,1290,1270,
igr2=1283,1284,
&end
#
# 0 AMB 20-2:361 83 PRO HD- 5.50 (# 361:20 Single Ambig)
&rst
ixpk= 361, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1289,1290,1255,1256,
igr2=1283,1284,
&end
#
# 0 AMB 20-2:362 83 PRO HD- 4.50 (# 362:20 Single Ambig)
&rst
ixpk= 362, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1272,1273,1274,1276,1277,1278,1565,1566,1567,1569,
1570,1571,
igr2=1283,1284,
&end
#
# 83 PRO HG- 83 PRO HD- 4.50 (# 363:20 Unique 2.30, 2.58 A)
&rst
ixpk= 363, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1286,1287,
igr2=1283,1284,
&end
#
# 0 AMB 20-2:364 83 PRO HD- 4.50 (# 364:20 Single Ambig)
&rst
ixpk= 364, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1782,1783,1784,1786,1787,1788,1782,1783,1784,1786,
1787,1788,
igr2=1283,1284,
&end
#
# 83 PRO HG- 83 PRO HD+ 4.50 (# 365:20 Unique 2.30, 2.58 A)
&rst
ixpk= 365, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1286,1287,
igr2=1283,1284,
&end
#
# 82 VAL MGY 83 PRO HD+ 4.50 (# 366:20 Unique 1.72, 3.06 A)
&rst
ixpk= 366, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1272,1273,1274,1276,1277,1278,
igr2=1283,1284,
&end
#
# 0 AMB 20-2:367 0 AMB 20-1:367 3.50 (# 367:20 Double Ambig)
&rst
ixpk= 367, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1289,1290,1270,
igr2=1283,1284,1283,1284,
&end
#
# 0 AMB 20-2:368 0 AMB 20-1:368 3.50 (# 368:20 Double Ambig)
&rst
ixpk= 368, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1782,1783,1784,1786,1787,1788,1782,1783,1784,1786,
1787,1788,
igr2=1283,1284,1283,1284,
&end
#
# 0 AMB 20-2:369 0 AMB 20-1:369 3.50 (# 369:20 Double Ambig)
&rst
ixpk= 369, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1272,1273,1274,1276,1277,1278,1565,1566,1567,1569,
1570,1571,
igr2=1283,1284,1283,1284,
&end
#
# 0 AMB 20-2:370 0 AMB 20-1:370 4.50 (# 370:20 Double Ambig)
&rst
ixpk= 370, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 302, 303, 304, 306, 307, 308, 302, 303, 304, 306,
307, 308,
igr2= 667, 668, 667, 668,
&end
#
# 0 AMB 20-2:371 42 GLY HA- 4.50 (# 371:20 Single Ambig)
&rst
ixpk= 371, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 302, 303, 304, 306, 307, 308, 302, 303, 304, 306,
307, 308,
igr2= 667, 668,
&end
#
# 22 ILE MD1 19 GLY HA+ 5.50 (# 372:20 Unique 1.99, 4.75 A)
&rst
ixpk= 372, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 349, 350, 351,
igr2= 291, 292,
&end
#
# 61 ALA MB 19 GLY HA+ 4.50 (# 373:20 Unique 1.92, 3.80 A)
&rst
ixpk= 373, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 947, 948, 949,
igr2= 291, 292,
&end
#
# 22 ILE MD1 19 GLY HA+ 4.50 (# 374:20 Unique 1.99, 4.75 A)
&rst
ixpk= 374, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 349, 350, 351,
igr2= 291, 292,
&end
#
# 61 ALA MB 19 GLY HA- 3.50 (# 375:20 Unique 1.92, 3.80 A)
&rst
ixpk= 375, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 947, 948, 949,
igr2= 291, 292,
&end
#
# 18 ILE MG2 19 GLY HA- 4.50 (# 376:20 Unique 3.00, 4.17 A)
&rst
ixpk= 376, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 276, 277, 278,
igr2= 291, 292,
&end
#
# 22 ILE MD1 19 GLY HA- 3.50 (# 377:20 Unique 1.99, 4.75 A)
&rst
ixpk= 377, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 349, 350, 351,
igr2= 291, 292,
&end
#
# 53 ALA MB 50 GLY HA- 5.50 (# 378:20 Unique 1.99, 3.92 A)
&rst
ixpk= 378, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 813, 814, 815,
igr2= 775, 776,
&end
#
# 53 ALA MB 50 GLY HA+ 5.50 (# 379:20 Unique 1.99, 3.92 A)
&rst
ixpk= 379, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 813, 814, 815,
igr2= 775, 776,
&end
#
# 53 ALA MB 50 GLY HA+ 4.50 (# 380:20 Unique 1.99, 3.92 A)
&rst
ixpk= 380, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 813, 814, 815,
igr2= 775, 776,
&end
#
# 0 AMB 20-2:381 0 AMB 20-1:381 5.50 (# 381:20 Double Ambig)
&rst
ixpk= 381, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.00, r4=12.50,
igr1= 744, 745, 746, 748, 749, 750, 131, 132, 133, 135,
136, 137, 131, 132, 133, 135, 136, 137,
igr2= 698, 699, 698, 699, 698, 699,
&end
#
# 0 AMB 20-2:382 0 AMB 20-1:382 5.50 (# 382:20 Double Ambig)
&rst
ixpk= 382, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=1546,1547,1548,1550,1551,1552,1546,1547,1548,1550,
1551,1552,
igr2= 698, 699, 698, 699,
&end
#
# 0 AMB 20-2:383 0 AMB 20-1:383 2.80 (# 383:20 Double Ambig)
&rst
ixpk= 383, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 131, 132, 133, 135, 136, 137, 131, 132, 133, 135,
136, 137, 744, 745, 746, 748, 749, 750, 744, 745,
746, 748, 749, 750,
igr2= 660, 661, 660, 661, 660, 661, 660, 661,
&end
#
# 133 THR MG2 72 GLY HA+ 2.80 (# 384:20 Unique 2.01, 3.52 A)
&rst
ixpk= 384, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=2067,2068,2069,
igr2=1109,1110,
&end
#
# 2 ARG HB- 2 ARG HD- 4.50 (# 385:20 Unique 2.01, 3.16 A)
&rst
ixpk= 385, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 25, 26,
igr2= 31, 32,
&end
#
# 2 ARG HG+ 2 ARG HD- 3.50 (# 386:20 Unique 2.23, 2.66 A)
&rst
ixpk= 386, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 28, 29,
igr2= 31, 32,
&end
#
# 0 AMB 20-2:387 0 AMB 20-1:387 5.50 (# 387:20 Double Ambig)
&rst
ixpk= 387, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
igr1=1665,1666,1667,1622,1623,
igr2=1643,1644,1643,1644,
&end
#
# 98 ALA MB 86 PHE HB+ 4.50 (# 388:20 Unique 1.97, 3.07 A)
&rst
ixpk= 388, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1522,1523,1524,
igr2=1329,1330,
&end
#
# 33 PRO HG- 33 PRO HD+ 4.50 (# 389:20 Unique 2.30, 2.58 A)
&rst
ixpk= 389, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 534, 535,
igr2= 531, 532,
&end
#
# 32 LEU HB+ 33 PRO HD+ 5.50 (# 390:20 Unique 1.85, 3.35 A)
&rst
ixpk= 390, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 515, 516,
igr2= 531, 532,
&end
#
# 0 AMB 20-2:391 0 AMB 20-1:391 4.50 (# 391:20 Double Ambig)
&rst
ixpk= 391, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=2379,2380,2381,2383,2384,2385,2427,2428,2429,
igr2= 531, 532, 531, 532,
&end
#
# 0 AMB 20-2:392 0 AMB 20-1:392 2.80 (# 392:20 Double Ambig)
&rst
ixpk= 392, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 583, 584, 585, 587, 588, 589,2379,2380,2381,2383,
2384,2385,2306,2307,2308,2310,2311,2312,
igr2= 531, 532, 531, 532, 531, 532,
&end
#
# 33 PRO HG+ 33 PRO HD+ 4.50 (# 393:20 Unique 2.30, 2.58 A)
&rst
ixpk= 393, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 534, 535,
igr2= 531, 532,
&end
#
# 32 LEU HB- 33 PRO HD+ 4.50 (# 394:20 Unique 1.85, 3.35 A)
&rst
ixpk= 394, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 515, 516,
igr2= 531, 532,
&end
#
# 0 AMB 20-2:395 111 PRO HD- 4.50 (# 395:20 Single Ambig)
&rst
ixpk= 395, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1719,1720, 803, 804, 805,
igr2=1716,1717,
&end
#
# 0 AMB 20-2:396 111 PRO HD- 4.50 (# 396:20 Single Ambig)
&rst
ixpk= 396, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1719,1720,1777,1778,
igr2=1716,1717,
&end
#
# 104 LEU MDY 111 PRO HD- 4.50 (# 397:20 Unique 2.67, 5.39 A)
&rst
ixpk= 397, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1605,1606,1607,1609,1610,1611,
igr2=1716,1717,
&end
#
# 119 VAL MGY 72 GLY HA- 4.50 (# 398:20 Unique 3.28, 6.80 A)
&rst
ixpk= 398, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1854,1855,1856,1858,1859,1860,
igr2=1109,1110,
&end
#
# 133 THR MG2 72 GLY HA- 3.50 (# 399:20 Unique 2.01, 3.52 A)
&rst
ixpk= 399, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2067,2068,2069,
igr2=1109,1110,
&end
#
# 0 AMB 20-2:400 0 AMB 20-1:400 4.50 (# 400:20 Double Ambig)
&rst
ixpk= 400, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2408,2409,2410,2200,2201,2202,2204,2205,2206,2200,
2201,2202,2204,2205,2206,
igr2=2326,2327, 457, 458,
&end
#
# 0 AMB 20-2:401 0 AMB 20-1:401 2.80 (# 401:20 Double Ambig)
&rst
ixpk= 401, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 454, 455,2323,2324,2393,2394,
igr2= 457, 458,2326,2327,2326,2327,
&end
#
# 29 ARG HG- 29 ARG HD+ 3.50 (# 402:20 Unique 2.22, 2.67 A)
&rst
ixpk= 402, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 454, 455,
igr2= 457, 458,
&end
#
# 29 ARG HG+ 29 ARG HD+ 2.80 (# 403:20 Unique 2.22, 2.67 A)
&rst
ixpk= 403, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 454, 455,
igr2= 457, 458,
&end
#
# 0 AMB 20-2:404 0 AMB 20-1:404 4.50 (# 404:20 Double Ambig)
&rst
ixpk= 404, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=2200,2201,2202,2204,2205,2206,2200,2201,2202,2204,
2205,2206,
igr2= 457, 458, 457, 458,
&end
#
# 78 ARG HB+ 78 ARG HD+ 3.50 (# 405:20 Unique 2.02, 3.10 A)
&rst
ixpk= 405, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1204,1205,
igr2=1210,1211,
&end
#
# 78 ARG HB- 78 ARG HD+ 2.80 (# 406:20 Unique 2.02, 3.10 A)
&rst
ixpk= 406, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1204,1205,
igr2=1210,1211,
&end
#
# 0 AMB 20-2:407 0 AMB 20-1:407 2.80 (# 407:20 Double Ambig)
&rst
ixpk= 407, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1204,1205,2323,2324,
igr2=1210,1211,2326,2327,
&end
#
# 0 AMB 20-2:408 159 ARG HD- 3.50 (# 408:20 Single Ambig)
&rst
ixpk= 408, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=2451,2452,2454,2455,
igr2=2457,2458,
&end
#
# 0 AMB 20-2:409 0 AMB 20-1:409 3.50 (# 409:20 Double Ambig)
&rst
ixpk= 409, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=2451,2452,2454,2455,
igr2=2457,2458,2457,2458,
&end
#
# 0 AMB 20-2:410 0 AMB 20-1:410 3.50 (# 410:20 Double Ambig)
&rst
ixpk= 410, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1619,1620,1619,1620,
igr2=1625,1626,1625,1626,
&end
#
# 0 AMB 20-2:411 0 AMB 20-1:411 2.80 (# 411:20 Double Ambig)
&rst
ixpk= 411, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1622,1623,1622,1623,
igr2=1625,1626,1625,1626,
&end
#
# 105 ARG HG- 0 AMB 20-1:412 2.80 (# 412:20 Single Ambig)
&rst
ixpk= 412, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1622,1623,
igr2=1625,1626,1625,1626,
&end
#
# 0 AMB 20-2:413 0 AMB 20-1:413 2.80 (# 413:20 Double Ambig)
&rst
ixpk= 413, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1739,1740,1739,1740,
igr2=1742,1743,1742,1743,
&end
#
# 112 LYS HG- 112 LYS HE+ 3.50 (# 414:20 Unique 2.06, 3.01 A)
&rst
ixpk= 414, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1736,1737,
igr2=1742,1743,
&end
#
# 0 AMB 20-2:415 0 AMB 20-1:415 2.80 (# 415:20 Double Ambig)
&rst
ixpk= 415, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1047,1048,1053,1054,1053,1054,
igr2=1056,1057,1056,1057,1056,1057,
&end
#
# 67 LYS HG+ 68 LYS HE+ 2.80 (# 416:20 Unique 1.98, 4.00 A)
&rst
ixpk= 416, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1028,1029,
igr2=1056,1057,
&end
#
# 67 LYS HB- 67 LYS HE+ 2.80 (# 417:20 Unique 2.00, 3.23 A)
&rst
ixpk= 417, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1025,1026,
igr2=1034,1035,
&end
#
# 0 AMB 20-2:418 0 AMB 20-1:418 3.50 (# 418:20 Double Ambig)
&rst
ixpk= 418, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1028,1029, 985, 986,
igr2=1034,1035,1034,1035,
&end
#
# 67 LYS HG+ 68 LYS HE+ 2.80 (# 420:20 Unique 1.98, 4.00 A)
&rst
ixpk= 420, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1028,1029,
igr2=1056,1057,
&end
#
# 0 AMB 20-2:421 0 AMB 20-1:421 4.50 (# 421:20 Double Ambig)
&rst
ixpk= 421, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1=1408,1409,1410,1315,1316,1317,1319,1320,1321, 981,
982, 983,
igr2=1056,1057,1056,1057,1056,1057,
&end
#
# 75 MET ME 67 LYS HE+ 3.50 (# 423:20 Unique 1.98, 3.70 A)
&rst
ixpk= 423, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1156,1157,1158,
igr2=1034,1035,
&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= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1315,1316,1317,1319,1320,1321, 981, 982, 983,
igr2=1034,1035,1034,1035,
&end
#
# 156 ALA MB 30 TYR HB+ 4.50 (# 425:20 Unique 2.61, 4.15 A)
&rst
ixpk= 425, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2408,2409,2410,
igr2= 475, 476,
&end
#
# 26 LEU MDX 30 TYR HB+ 4.50 (# 426:20 Unique 1.91, 5.35 A)
&rst
ixpk= 426, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 405, 406, 407, 409, 410, 411,
igr2= 475, 476,
&end
#
# 26 LEU HG 30 TYR HB+ 4.50 (# 427:20 Unique 2.65, 3.63 A)
&rst
ixpk= 427, nxpk= 20, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 475, 476,
&end
#
# 0 AMB 20-2:429 0 AMB 20-1:429 3.50 (# 429:20 Double Ambig)
&rst
ixpk= 429, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=2081,2082,2083,2085,2086,2087,2081,2082,2083,2085,
2086,2087,1932,1933,1934,1936,1937,1938,1932,1933,
1934,1936,1937,1938,
igr2= 237, 238, 237, 238, 237, 238, 237, 238,
&end
#
# 121 PRO HB- 15 ASP HB+ 4.50 (# 430:20 Unique 1.89, 2.76 A)
&rst
ixpk= 430, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1890,1891,
igr2= 237, 238,
&end
#
# 121 PRO HB- 15 ASP HB- 4.50 (# 431:20 Unique 1.89, 2.76 A)
&rst
ixpk= 431, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1890,1891,
igr2= 237, 238,
&end
#
# 0 AMB 20-2:432 15 ASP HB- 2.80 (# 432:20 Single Ambig)
&rst
ixpk= 432, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=2081,2082,2083,2085,2086,2087,2081,2082,2083,2085,
2086,2087,1932,1933,1934,1936,1937,1938,1932,1933,
1934,1936,1937,1938,
igr2= 237, 238,
&end
#
# 0 AMB 20-2:433 0 AMB 20-1:433 4.50 (# 433:20 Double Ambig)
&rst
ixpk= 433, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1874,1875,1874,1875,
igr2=1069,1070,1069,1070,
&end
#
# 120 ILE MD1 69 ASN HB+ 2.80 (# 434:20 Unique 2.47, 4.29 A)
&rst
ixpk= 434, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1877,1878,1879,
igr2=1069,1070,
&end
#
# 151 GLU HB- 113 LYS HE+ 4.50 (# 435:20 Unique 5.04, 6.03 A)
&rst
ixpk= 435, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2344,2345,
igr2=1764,1765,
&end
#
# 113 LYS HD+ 113 LYS HE+ 3.50 (# 436:20 Unique 2.22, 2.62 A)
&rst
ixpk= 436, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1761,1762,
igr2=1764,1765,
&end
#
# 0 AMB 20-2:437 0 AMB 20-1:437 2.80 (# 437:20 Double Ambig)
&rst
ixpk= 437, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1758,1759,1761,1762,
igr2=1764,1765,1764,1765,
&end
#
# 0 AMB 20-2:438 0 AMB 20-1:438 4.50 (# 438:20 Double Ambig)
&rst
ixpk= 438, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1758,1759,1755,1756,
igr2=1764,1765,1764,1765,
&end
#
# 0 AMB 20-2:440 21 ARG HD- 4.50 (# 440:20 Single Ambig)
&rst
ixpk= 440, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 316, 317, 316, 317,
igr2= 322, 323,
&end
#
# 0 AMB 20-2:441 21 ARG HD- 4.50 (# 441:20 Single Ambig)
&rst
ixpk= 441, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 319, 320, 264, 265, 266,
igr2= 322, 323,
&end
#
# 0 AMB 20-2:442 0 AMB 20-1:442 3.50 (# 442:20 Double Ambig)
&rst
ixpk= 442, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 316, 317, 316, 317, 300,
igr2= 322, 323, 322, 323, 322, 323,
&end
#
# 0 AMB 20-2:443 0 AMB 20-1:443 4.50 (# 443:20 Double Ambig)
&rst
ixpk= 443, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 319, 320, 264, 265, 266,
igr2= 322, 323, 322, 323,
&end
#
# 46 MET ME 99 ASP HB- 5.50 (# 444:20 Unique 2.36, 4.51 A)
&rst
ixpk= 444, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 714, 715, 716,
igr2=1532,1533,
&end
#
# 23 VAL MGX 40 ASP HB+ 4.50 (# 445:20 Unique 2.11, 5.12 A)
&rst
ixpk= 445, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 361, 362, 363, 365, 366, 367,
igr2= 650, 651,
&end
#
# 13 LEU MDY 10 ASN HB+ 4.50 (# 446:20 Unique 1.99, 4.63 A)
&rst
ixpk= 446, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 209, 210, 211, 213, 214, 215,
igr2= 152, 153,
&end
#
# 43 THR MG2 10 ASN HB+ 4.50 (# 447:20 Unique 2.80, 4.93 A)
&rst
ixpk= 447, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 678, 679, 680,
igr2= 152, 153,
&end
#
# 98 ALA MB 86 PHE HB- 4.50 (# 448:20 Unique 1.97, 3.07 A)
&rst
ixpk= 448, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1522,1523,1524,
igr2=1329,1330,
&end
#
# 0 AMB 20-2:449 54 ASN HB- 4.50 (# 449:20 Single Ambig)
&rst
ixpk= 449, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 813, 814, 815, 840, 841,
igr2= 823, 824,
&end
#
# 0 AMB 20-2:450 0 AMB 20-1:450 2.80 (# 450:20 Double Ambig)
&rst
ixpk= 450, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 707, 708, 707, 708,
igr2= 710, 711, 710, 711,
&end
#
# 0 AMB 20-2:451 46 MET HG- 2.80 (# 451:20 Single Ambig)
&rst
ixpk= 451, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 707, 708, 707, 708,
igr2= 710, 711,
&end
#
# 0 AMB 20-2:452 0 AMB 20-1:452 2.80 (# 452:20 Double Ambig)
&rst
ixpk= 452, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=2120,2121,2120,2121,
igr2=2123,2124,2123,2124,
&end
#
# 0 AMB 20-2:453 0 AMB 20-1:453 4.50 (# 453:20 Double Ambig)
&rst
ixpk= 453, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1854,1855,1856,1858,1859,1860, 283, 284, 285,
igr2=2123,2124,2123,2124,
&end
#
# 0 AMB 20-2:454 137 MET HG- 2.80 (# 454:20 Single Ambig)
&rst
ixpk= 454, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=2120,2121,2120,2121,
igr2=2123,2124,
&end
#
# 0 AMB 20-2:455 0 AMB 20-1:455 4.50 (# 455:20 Double Ambig)
&rst
ixpk= 455, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1719,1720,1777,1778,
igr2=1716,1717,1716,1717,
&end
#
# 104 LEU MDY 111 PRO HD+ 4.50 (# 456:20 Unique 2.67, 5.39 A)
&rst
ixpk= 456, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1605,1606,1607,1609,1610,1611,
igr2=1716,1717,
&end
#
# 0 AMB 20-2:458 0 AMB 20-1:458 2.80 (# 458:20 Double Ambig)
&rst
ixpk= 458, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1782,1783,1784,1786,1787,1788,1782,1783,1784,1786,
1787,1788, 895, 896, 897, 899, 900, 901,
igr2=1777,1778,1777,1778,1777,1778,
&end
#
# 58 LEU MDY 58 LEU HB+ 4.50 (# 460:20 Unique 1.93, 3.23 A)
&rst
ixpk= 460, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 895, 896, 897, 899, 900, 901,
igr2= 890, 891,
&end
#
# 0 AMB 20-2:461 0 AMB 20-1:461 4.50 (# 461:20 Double Ambig)
&rst
ixpk= 461, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.82, r4=10.32,
igr1= 895, 896, 897, 899, 900, 901,1782,1783,1784,1786,
1787,1788,1782,1783,1784,1786,1787,1788,
igr2= 890, 891, 890, 891, 890, 891,
&end
#
# 0 AMB 20-2:462 0 AMB 20-1:462 4.50 (# 462:20 Double Ambig)
&rst
ixpk= 462, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.82, r4=10.32,
igr1= 895, 896, 897, 899, 900, 901,1782,1783,1784,1786,
1787,1788,1782,1783,1784,1786,1787,1788,
igr2= 890, 891, 890, 891, 890, 891,
&end
#
# 0 AMB 20-2:463 62 ASP HB- 2.80 (# 463:20 Single Ambig)
&rst
ixpk= 463, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 131, 132, 133, 135, 136, 137, 131, 132, 133, 135,
136, 137,1815,1816,1817,1819,1820,1821, 930, 931,
932,
igr2= 957, 958,
&end
#
# 0 AMB 20-2:464 0 AMB 20-1:464 2.80 (# 464:20 Double Ambig)
&rst
ixpk= 464, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 108, 109, 110, 112, 113, 114, 744, 745, 746, 748,
749, 750, 744, 745, 746, 748, 749, 750,
igr2= 739, 740, 739, 740, 739, 740,
&end
#
# 104 LEU MDX 104 LEU HB+ 4.50 (# 467:20 Unique 1.95, 3.40 A)
&rst
ixpk= 467, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1605,1606,1607,1609,1610,1611,
igr2=1600,1601,
&end
#
# 104 LEU MDY 104 LEU HB+ 3.50 (# 469:20 Unique 1.95, 3.40 A)
&rst
ixpk= 469, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1605,1606,1607,1609,1610,1611,
igr2=1600,1601,
&end
#
# 0 AMB 20-2:470 0 AMB 20-1:470 2.80 (# 470:20 Double Ambig)
&rst
ixpk= 470, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1932,1933,1934,1936,1937,1938,1932,1933,1934,1936,
1937,1938,
igr2=1927,1928,1927,1928,
&end
#
# 0 AMB 20-2:471 0 AMB 20-1:471 3.50 (# 471:20 Double Ambig)
&rst
ixpk= 471, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 73, 74, 75, 77, 78, 79, 636, 637, 638, 640,
641, 642,
igr2= 784, 785, 784, 785,
&end
#
# 0 AMB 20-2:472 0 AMB 20-1:472 4.50 (# 472:20 Double Ambig)
&rst
ixpk= 472, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=2200,2201,2202,2204,2205,2206,2200,2201,2202,2204,
2205,2206,
igr2= 400, 401, 400, 401,
&end
#
# 0 AMB 20-2:473 0 AMB 20-1:473 5.50 (# 473:20 Double Ambig)
&rst
ixpk= 473, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 634,1120,1121,1122,
igr2= 784, 785,1069,1070,
&end
#
# 0 AMB 20-2:474 0 AMB 20-1:474 2.80 (# 474:20 Double Ambig)
&rst
ixpk= 474, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 73, 74, 75, 77, 78, 79,1877,1878,1879, 636,
637, 638, 640, 641, 642,
igr2= 784, 785,1069,1070,
&end
#
# 0 AMB 20-2:475 0 AMB 20-1:475 2.80 (# 475:20 Double Ambig)
&rst
ixpk= 475, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 405, 406, 407, 409, 410, 411, 614, 615, 616,
igr2= 400, 401, 400, 401,
&end
#
# 0 AMB 20-2:476 0 AMB 20-1:476 4.50 (# 476:20 Double Ambig)
&rst
ixpk= 476, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 400, 401,2185,2186,2187,
igr2=2195,2196,2195,2196,2195,2196,
&end
#
# 3 ILE MD1 3 ILE HB 4.50 (# 477:20 Unique 2.03, 2.87 A)
&rst
ixpk= 477, nxpk= 20, iat= -1, 49, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 58, 59, 60,
&end
#
# 0 AMB 20-2:478 0 AMB 20-1:478 2.80 (# 478:20 Double Ambig)
&rst
ixpk= 478, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=2200,2201,2202,2204,2205,2206,2200,2201,2202,2204,
2205,2206,
igr2=2195,2196,2195,2196,2195,2196,
&end
#
# 0 AMB 20-2:479 3 ILE HB 2.80 (# 479:20 Single Ambig)
&rst
ixpk= 479, nxpk= 20, iat= -1, 49, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 583, 584, 585, 587, 588, 589, 583, 584, 585, 587,
588, 589,
&end
#
# 0 AMB 20-2:480 0 AMB 20-1:480 4.50 (# 480:20 Double Ambig)
&rst
ixpk= 480, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 55, 56,2185,2186,2187,
igr2= 49,2195,2196,
&end
#
# 101 LEU MDY 101 LEU HB+ 4.50 (# 481:20 Unique 2.29, 3.48 A)
&rst
ixpk= 481, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1565,1566,1567,1569,1570,1571,
igr2=1560,1561,
&end
#
# 101 LEU MDX 101 LEU HB+ 4.50 (# 482:20 Unique 2.29, 3.48 A)
&rst
ixpk= 482, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1565,1566,1567,1569,1570,1571,
igr2=1560,1561,
&end
#
# 63 ALA MB 0 AMB 20-1:483 4.50 (# 483:20 Single Ambig)
&rst
ixpk= 483, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 969, 970, 971,
igr2= 252, 253, 252, 253,
&end
#
# 0 AMB 20-2:484 0 AMB 20-1:484 2.80 (# 484:20 Double Ambig)
&rst
ixpk= 484, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=1932,1933,1934,1936,1937,1938,1932,1933,1934,1936,
1937,1938,
igr2= 252, 253, 252, 253, 252, 253,
&end
#
# 0 AMB 20-2:485 0 AMB 20-1:485 2.80 (# 485:20 Double Ambig)
&rst
ixpk= 485, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=2306,2307,2308,2310,2311,2312,2306,2307,2308,2310,
2311,2312,2379,2380,2381,2383,2384,2385,
igr2=2301,2302,2301,2302,2301,2302,
&end
#
# 157 ILE MG2 157 ILE HB 2.80 (# 486:20 Unique 2.22, 2.63 A)
&rst
ixpk= 486, nxpk= 20, iat= -1,2418, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=2420,2421,2422,
&end
#
# 157 ILE MD1 157 ILE HB 3.50 (# 487:20 Unique 2.34, 3.07 A)
&rst
ixpk= 487, nxpk= 20, iat= -1,2418, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=2427,2428,2429,
&end
#
# 157 ILE HG1- 157 ILE HB 3.50 (# 488:20 Unique 2.45, 2.78 A)
&rst
ixpk= 488, nxpk= 20, iat= -1,2418, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2424,2425,
&end
#
# 13 LEU MDY 10 ASN HB- 4.50 (# 489:20 Unique 1.99, 4.63 A)
&rst
ixpk= 489, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 209, 210, 211, 213, 214, 215,
igr2= 152, 153,
&end
#
# 90 ILE HG1- 90 ILE HB 4.50 (# 490:20 Unique 2.31, 2.68 A)
&rst
ixpk= 490, nxpk= 20, iat= -1,1399, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1405,1406,
&end
#
# 90 ILE MG2 90 ILE HB 2.80 (# 491:20 Unique 2.22, 2.63 A)
&rst
ixpk= 491, nxpk= 20, iat= -1,1399, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1401,1402,1403,
&end
#
# 43 THR MG2 10 ASN HB- 4.50 (# 492:20 Unique 2.80, 4.93 A)
&rst
ixpk= 492, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 678, 679, 680,
igr2= 152, 153,
&end
#
# 0 AMB 20-2:493 11 ILE HB 4.50 (# 493:20 Single Ambig)
&rst
ixpk= 493, nxpk= 20, iat= -1, 166, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1994,1995,1996, 302, 303, 304, 306, 307, 308, 302,
303, 304, 306, 307, 308,
&end
#
# 0 AMB 20-2:494 11 ILE HB 2.80 (# 494:20 Single Ambig)
&rst
ixpk= 494, nxpk= 20, iat= -1, 166, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 172, 173, 172, 173,
&end
#
# 11 ILE MD1 11 ILE HB 2.80 (# 495:20 Unique 2.19, 3.14 A)
&rst
ixpk= 495, nxpk= 20, iat= -1, 166, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 175, 176, 177,
&end
#
# 11 ILE MG2 11 ILE HB 2.80 (# 496:20 Unique 2.22, 2.63 A)
&rst
ixpk= 496, nxpk= 20, iat= -1, 166, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 168, 169, 170,
&end
#
# 76 ILE MG2 76 ILE HB 2.80 (# 497:20 Unique 2.22, 2.63 A)
&rst
ixpk= 497, nxpk= 20, iat= -1,1166, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1168,1169,1170,
&end
#
# 120 ILE MG2 120 ILE HB 2.80 (# 498:20 Unique 2.25, 2.63 A)
&rst
ixpk= 498, nxpk= 20, iat= -1,1868, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1870,1871,1872,
&end
#
# 120 ILE MD1 120 ILE HB 3.50 (# 499:20 Unique 2.56, 3.88 A)
&rst
ixpk= 499, nxpk= 20, iat= -1,1868, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1877,1878,1879,
&end
#
# 0 AMB 20-2:500 18 ILE HB 3.50 (# 500:20 Single Ambig)
&rst
ixpk= 500, nxpk= 20, iat= -1, 274, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 280, 281, 280, 281,
&end
#
# 0 AMB 20-2:501 18 ILE HB 2.80 (# 501:20 Single Ambig)
&rst
ixpk= 501, nxpk= 20, iat= -1, 274, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=2081,2082,2083,2085,2086,2087, 276, 277, 278,2023,
2024,2025,2027,2028,2029,
&end
#
# 0 AMB 20-2:502 138 ILE HB 2.80 (# 502:20 Single Ambig)
&rst
ixpk= 502, nxpk= 20, iat= -1,2137, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1=2139,2140,2141,2143,2144,
&end
#
# 0 AMB 20-2:503 0 AMB 20-1:503 4.50 (# 503:20 Double Ambig)
&rst
ixpk= 503, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1=2200,2201,2202,2204,2205,2206,2200,2201,2202,2204,
2205,2206,
igr2=2159,2160,2159,2160,2159,2160,
&end
#
# 138 ILE MG2 0 AMB 20-1:504 3.50 (# 504:20 Single Ambig)
&rst
ixpk= 504, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2139,2140,2141,
igr2=2159,2160,2159,2160,
&end
#
# 4 LEU MDX 37 GLU HG+ 3.50 (# 505:20 Unique 2.25, 4.80 A)
&rst
ixpk= 505, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 73, 74, 75, 77, 78, 79,
igr2= 600, 601,
&end
#
# 20 VAL MGX 24 GLU HG- 4.50 (# 506:20 Unique 2.03, 4.46 A)
&rst
ixpk= 506, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 302, 303, 304, 306, 307, 308,
igr2= 378, 379,
&end
#
# 0 AMB 20-2:508 80 GLU HG- 4.50 (# 508:20 Single Ambig)
&rst
ixpk= 508, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1300,1301,1302,1777,1778,
igr2=1243,1244,
&end
#
# 0 AMB 20-2:509 135 GLU HG- 2.80 (# 509:20 Single Ambig)
&rst
ixpk= 509, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=2023,2024,2025,2027,2028,2029,2146,2147,2148,
igr2=2098,2099,
&end
#
# 38 ILE MD1 0 AMB 20-1:510 2.80 (# 510:20 Single Ambig)
&rst
ixpk= 510, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 621, 622, 623,
igr2= 422, 423, 422, 423,
&end
#
# 0 AMB 20-2:511 8 VAL HB 2.80 (# 511:20 Single Ambig)
&rst
ixpk= 511, nxpk= 20, iat= -1, 129, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 131, 132, 133, 135, 136, 137, 131, 132, 133, 135,
136, 137, 744, 745, 746, 748, 749, 750,
&end
#
# 0 AMB 20-2:512 0 AMB 20-1:512 4.50 (# 512:20 Double Ambig)
&rst
ixpk= 512, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2408,2409,2410,2420,2421,2422, 103, 104,
igr2=2396,2397,2396,2397, 129,
&end
#
# 0 AMB 20-2:514 155 GLU HG- 5.50 (# 514:20 Single Ambig)
&rst
ixpk= 514, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2427,2428,2429,2379,2380,2381,2383,2384,2385,
igr2=2396,2397,
&end
#
# 0 AMB 20-2:515 0 AMB 20-1:515 4.50 (# 515:20 Double Ambig)
&rst
ixpk= 515, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1605,1606,1607,1609,1610,1611, 895, 896, 897, 899,
900, 901,
igr2= 796, 797, 796, 797,
&end
#
# 0 AMB 20-2:516 0 AMB 20-1:516 4.50 (# 516:20 Double Ambig)
&rst
ixpk= 516, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1605,1606,1607,1609,1610,1611, 108, 109, 110, 112,
113, 114,
igr2= 796, 797, 796, 797,
&end
#
# 0 AMB 20-2:517 0 AMB 20-1:517 3.50 (# 517:20 Double Ambig)
&rst
ixpk= 517, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1932,1933,1934,1936,1937,1938,1932,1933,1934,1936,
1937,1938,
igr2=1890,1891,1890,1891,
&end
#
# 124 LEU MDY 121 PRO HB- 4.50 (# 518:20 Unique 1.98, 4.51 A)
&rst
ixpk= 518, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1932,1933,1934,1936,1937,1938,
igr2=1890,1891,
&end
#
# 0 AMB 20-2:519 144 GLN HG- 3.50 (# 519:20 Single Ambig)
&rst
ixpk= 519, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1175,1176,1177,1831,1832,1833,1835,1836,1837,2248,
2249,2250,2252,2253,2254,
igr2=2232,2233,
&end
#
# 0 AMB 20-2:520 0 AMB 20-1:520 4.50 (# 520:20 Double Ambig)
&rst
ixpk= 520, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.82, r4=10.32,
igr1=2379,2380,2381,2383,2384,2385, 583, 584, 585, 587,
588, 589, 583, 584, 585, 587, 588, 589,
igr2= 537, 538, 537, 538, 537, 538,
&end
#
# 67 LYS HG+ 67 LYS HB+ 2.80 (# 521:20 Unique 2.21, 2.71 A)
&rst
ixpk= 521, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1028,1029,
igr2=1025,1026,
&end
#
# 6 LEU MDY 52 MET HG+ 3.50 (# 522:20 Unique 1.99, 4.43 A)
&rst
ixpk= 522, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 108, 109, 110, 112, 113, 114,
igr2= 799, 800,
&end
#
# 0 AMB 20-2:523 0 AMB 20-1:523 3.50 (# 523:20 Double Ambig)
&rst
ixpk= 523, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 895, 896, 897, 899, 900, 901, 108, 109, 110, 112,
113, 114,
igr2= 799, 800, 799, 800,
&end
#
# 0 AMB 20-2:524 52 MET HG- 2.80 (# 524:20 Single Ambig)
&rst
ixpk= 524, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 895, 896, 897, 899, 900, 901,1605,1606,1607,1609,
1610,1611,
igr2= 799, 800,
&end
#
# 0 AMB 20-2:525 0 AMB 20-1:525 2.80 (# 525:20 Double Ambig)
&rst
ixpk= 525, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=1831,1832,1833,1835,1836,1837,1482,1483,1484,1486,
1487,1488,2248,2249,2250,2252,2253,2254, 346, 347,
igr2=1829,1377,1378,
&end
#
# 0 AMB 20-2:526 0 AMB 20-1:526 2.80 (# 526:20 Double Ambig)
&rst
ixpk= 526, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 73, 74, 75, 77, 78, 79,1831,1832,1833,1835,
1836,1837, 302, 303, 304, 306, 307, 308,
igr2= 597, 598, 597, 598,1829, 300,
&end
#
# 0 AMB 20-2:527 0 AMB 20-1:527 2.80 (# 527:20 Double Ambig)
&rst
ixpk= 527, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1380,1381, 947, 948, 949,
igr2=1377,1378,1829,
&end
#
# 67 LYS HG+ 68 LYS HB+ 3.50 (# 528:20 Unique 2.77, 4.87 A)
&rst
ixpk= 528, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1028,1029,
igr2=1047,1048,
&end
#
# 0 AMB 20-2:529 134 VAL HB 2.80 (# 529:20 Single Ambig)
&rst
ixpk= 529, nxpk= 20, iat= -1,2079, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2081,2082,2083,2085,2086,2087,2081,2082,2083,2085,
2086,2087,
&end
#
# 0 AMB 20-2:530 65 VAL HB 2.80 (# 530:20 Single Ambig)
&rst
ixpk= 530, nxpk= 20, iat= -1, 998, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1000,1001,1002,1004,1005,1006,1000,1001,1002,1004,
1005,1006,1401,1402,1403,
&end
#
# 90 ILE HG1- 89 LYS HB- 4.50 (# 531:20 Unique 2.97, 5.36 A)
&rst
ixpk= 531, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1405,1406,
igr2=1377,1378,
&end
#
# 0 AMB 20-2:532 0 AMB 20-1:532 2.80 (# 532:20 Double Ambig)
&rst
ixpk= 532, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 168, 169, 170,2067,2068,2069,
igr2= 300,1100,1101,
&end
#
# 0 AMB 20-2:534 0 AMB 20-1:534 3.50 (# 534:20 Double Ambig)
&rst
ixpk= 534, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 840, 841,1719,1720,1755,1756,
igr2=1722,1723,1722,1723,1733,1734,
&end
#
# 0 AMB 20-2:535 0 AMB 20-1:535 2.80 (# 535:20 Double Ambig)
&rst
ixpk= 535, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1546,1547,1548,1550,1551,1552,1546,1547,1548,1550,
1551,1552,2067,2068,2069,
igr2=1544,1100,1101,
&end
#
# 73 THR MG2 75 MET HG- 5.50 (# 537:20 Unique 3.17, 4.37 A)
&rst
ixpk= 537, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1120,1121,1122,
igr2=1152,1153,
&end
#
# 73 THR MG2 75 MET HG+ 4.50 (# 538:20 Unique 3.17, 4.37 A)
&rst
ixpk= 538, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1120,1121,1122,
igr2=1152,1153,
&end
#
# 5 VAL MGY 5 VAL HB 2.80 (# 539:20 Unique 2.22, 2.63 A)
&rst
ixpk= 539, nxpk= 20, iat= -1, 87, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 89, 90, 91, 93, 94, 95,
&end
#
# 3 ILE MD1 1 MET HG+ 4.50 (# 540:20 Unique 1.90, 3.47 A)
&rst
ixpk= 540, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 58, 59, 60,
igr2= 11, 12,
&end
#
# 0 AMB 20-2:541 145 VAL HB 2.80 (# 541:20 Single Ambig)
&rst
ixpk= 541, nxpk= 20, iat= -1,2246, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2248,2249,2250,2252,2253,2254,2200,2201,2202,2204,
2205,2206,
&end
#
# 0 AMB 20-2:542 145 VAL HB 2.80 (# 542:20 Single Ambig)
&rst
ixpk= 542, nxpk= 20, iat= -1,2246, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 405, 406, 407, 409, 410, 411,2248,2249,2250,2252,
2253,2254,
&end
#
# 38 ILE MG2 23 VAL HB 2.80 (# 543:20 Unique 1.95, 3.01 A)
&rst
ixpk= 543, nxpk= 20, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 614, 615, 616,
&end
#
# 100 VAL MGX 0 AMB 20-1:544 4.50 (# 544:20 Single Ambig)
&rst
ixpk= 544, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1546,1547,1548,1550,1551,1552,
igr2= 707, 708, 707, 708,
&end
#
# 23 VAL MGY 23 VAL HB 2.80 (# 545:20 Unique 2.22, 2.63 A)
&rst
ixpk= 545, nxpk= 20, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 361, 362, 363, 365, 366, 367,
&end
#
# 23 VAL MGX 23 VAL HB 2.80 (# 546:20 Unique 2.22, 2.63 A)
&rst
ixpk= 546, nxpk= 20, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 361, 362, 363, 365, 366, 367,
&end
#
# 32 LEU HB- 36 VAL HB 4.50 (# 547:20 Unique 2.05, 2.86 A)
&rst
ixpk= 547, nxpk= 20, iat= -1, 581, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 515, 516,
&end
#
# 0 AMB 20-2:548 36 VAL HB 2.80 (# 548:20 Single Ambig)
&rst
ixpk= 548, nxpk= 20, iat= -1, 581, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 583, 584, 585, 587, 588, 589, 583, 584, 585, 587,
588, 589,
&end
#
# 0 AMB 20-2:549 0 AMB 20-1:549 2.80 (# 549:20 Double Ambig)
&rst
ixpk= 549, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1831,1832,1833,1835,1836,1837,1175,1176,1177,
igr2=1135,1136,1135,1136,
&end
#
# 117 VAL MGY 74 MET HG+ 3.50 (# 550:20 Unique 2.07, 3.98 A)
&rst
ixpk= 550, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1831,1832,1833,1835,1836,1837,
igr2=1135,1136,
&end
#
# 0 AMB 20-2:551 0 AMB 20-1:551 4.50 (# 551:20 Double Ambig)
&rst
ixpk= 551, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=2185,2186,2187, 947, 948, 949,
igr2= 346, 347, 346, 347,
&end
#
# 0 AMB 20-2:553 0 AMB 20-1:553 2.80 (# 553:20 Double Ambig)
&rst
ixpk= 553, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 342, 343, 344, 349, 350, 351,
igr2= 346, 347, 346, 347,
&end
#
# 0 AMB 20-2:554 0 AMB 20-1:554 2.80 (# 554:20 Double Ambig)
&rst
ixpk= 554, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 621, 622, 623, 614, 615, 616,
igr2= 419, 420, 419, 420, 419, 420,
&end
#
# 13 LEU MDX 126 PRO HB- 3.50 (# 555:20 Unique 2.08, 5.28 A)
&rst
ixpk= 555, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 209, 210, 211, 213, 214, 215,
igr2=1964,1965,
&end
#
# 0 AMB 20-2:556 0 AMB 20-1:556 4.50 (# 556:20 Double Ambig)
&rst
ixpk= 556, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1=2081,2082,2083,2085,2086,2087,2081,2082,2083,2085,
2086,2087,
igr2=2120,2121,2120,2121,2120,2121,
&end
#
# 18 ILE MD1 0 AMB 20-1:557 4.50 (# 557:20 Single Ambig)
&rst
ixpk= 557, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 283, 284, 285,
igr2=2120,2121,2120,2121,
&end
#
# 18 ILE MD1 0 AMB 20-1:558 3.50 (# 558:20 Single Ambig)
&rst
ixpk= 558, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 283, 284, 285,
igr2=2120,2121,2120,2121,
&end
#
# 13 LEU MDY 126 PRO HB+ 4.50 (# 559:20 Unique 2.08, 5.28 A)
&rst
ixpk= 559, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 209, 210, 211, 213, 214, 215,
igr2=1964,1965,
&end
#
# 0 AMB 20-2:560 16 GLU HB- 3.50 (# 560:20 Single Ambig)
&rst
ixpk= 560, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1932,1933,1934,1936,1937,1938,1932,1933,1934,1936,
1937,1938,
igr2= 249, 250,
&end
#
# 0 AMB 20-2:561 0 AMB 20-1:561 3.50 (# 561:20 Double Ambig)
&rst
ixpk= 561, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1932,1933,1934,1936,1937,1938,1932,1933,1934,1936,
1937,1938,
igr2= 249, 250, 249, 250,
&end
#
# 0 AMB 20-2:562 0 AMB 20-1:562 4.50 (# 562:20 Double Ambig)
&rst
ixpk= 562, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1=2081,2082,2083,2085,2086,2087,2081,2082,2083,2085,
2086,2087,
igr2=2120,2121,2120,2121,2120,2121,
&end
#
# 0 AMB 20-2:563 0 AMB 20-1:563 4.50 (# 563:20 Double Ambig)
&rst
ixpk= 563, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1=2023,2024,2025,2027,2028,2029,2146,2147,2148, 283,
284, 285,
igr2=2095,2096,2095,2096,2095,2096,
&end
#
# 0 AMB 20-2:564 135 GLU HB- 4.50 (# 564:20 Single Ambig)
&rst
ixpk= 564, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=2023,2024,2025,2027,2028,2029,2146,2147,2148, 283,
284, 285,
igr2=2095,2096,
&end
#
# 0 AMB 20-2:565 82 VAL HB 3.50 (# 565:20 Single Ambig)
&rst
ixpk= 565, nxpk= 20, iat= -1,1270, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1272,1273,1274,1276,1277,1278,1815,1816,1817,1819,
1820,1821,
&end
#
# 0 AMB 20-2:566 82 VAL HB 3.50 (# 566:20 Single Ambig)
&rst
ixpk= 566, nxpk= 20, iat= -1,1270, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1782,1783,1784,1786,1787,1788,1782,1783,1784,1786,
1787,1788,
&end
#
# 82 VAL MGY 82 VAL HB 3.50 (# 567:20 Unique 2.23, 2.63 A)
&rst
ixpk= 567, nxpk= 20, iat= -1,1270, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1272,1273,1274,1276,1277,1278,
&end
#
# 0 AMB 20-2:568 0 AMB 20-1:568 4.50 (# 568:20 Double Ambig)
&rst
ixpk= 568, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1782,1783,1784,1786,1787,1788,1782,1783,1784,1786,
1787,1788,1000,1001,1002,1004,1005,1006,1000,1001,
1002,1004,1005,1006,1482,1483,1484,1486,1487,1488,
igr2=1286,1287,1460,1461,
&end
#
# 0 AMB 20-2:569 0 AMB 20-1:569 2.80 (# 569:20 Double Ambig)
&rst
ixpk= 569, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1=1565,1566,1567,1569,1570,1571,1272,1273,1274,1276,
1277,1278,1315,1316,1317,1319,1320,1321, 209, 210,
211, 213, 214, 215,
igr2=1286,1287,1460,1461,1961,1962,
&end
#
# 0 AMB 20-2:570 0 AMB 20-1:570 3.50 (# 570:20 Double Ambig)
&rst
ixpk= 570, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1175,1176,1177,1831,1832,1833,1835,1836,1837,2248,
2249,2250,2252,2253,2254,
igr2=2229,2230,2229,2230,2229,2230,
&end
#
# 0 AMB 20-2:571 144 GLN HB- 4.50 (# 571:20 Single Ambig)
&rst
ixpk= 571, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1831,1832,1833,1835,1836,1837,2248,2249,2250,2252,
2253,2254,
igr2=2229,2230,
&end
#
# 0 AMB 20-2:572 144 GLN HB- 3.50 (# 572:20 Single Ambig)
&rst
ixpk= 572, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1175,1176,1177,1831,1832,1833,1835,1836,1837,2248,
2249,2250,2252,2253,2254,
igr2=2229,2230,
&end
#
# 0 AMB 20-2:573 144 GLN HB- 4.50 (# 573:20 Single Ambig)
&rst
ixpk= 573, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1831,1832,1833,1835,1836,1837,2248,2249,2250,2252,
2253,2254,
igr2=2229,2230,
&end
#
# 0 AMB 20-2:574 0 AMB 20-1:574 2.80 (# 574:20 Double Ambig)
&rst
ixpk= 574, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=2379,2380,2381,2383,2384,2385,2146,2147,2148, 283,
284, 285,
igr2= 534, 535, 316, 317, 316, 317, 316, 317,
&end
#
# 0 AMB 20-2:575 33 PRO HG- 3.50 (# 575:20 Single Ambig)
&rst
ixpk= 575, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=2379,2380,2381,2383,2384,2385, 583, 584, 585, 587,
588, 589,
igr2= 534, 535,
&end
#
# 0 AMB 20-2:576 121 PRO HG- 3.50 (# 576:20 Single Ambig)
&rst
ixpk= 576, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1932,1933,1934,1936,1937,1938,1932,1933,1934,1936,
1937,1938,
igr2=1887,1888,
&end
#
# 0 AMB 20-2:577 130 LEU HG 2.80 (# 577:20 Single Ambig)
&rst
ixpk= 577, nxpk= 20, iat= -1,2021, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 283, 284, 285,2023,2024,2025,2027,2028,2029,
&end
#
# 104 LEU MDX 104 LEU HG 4.50 (# 579:20 Unique 2.22, 2.63 A)
&rst
ixpk= 579, nxpk= 20, iat= -1,1603, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1605,1606,1607,1609,1610,1611,
&end
#
# 0 AMB 20-2:580 104 LEU HG 4.50 (# 580:20 Single Ambig)
&rst
ixpk= 580, nxpk= 20, iat= -1,1603, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1546,1547,1548,1550,1551,1552, 763, 764, 765, 767,
768, 769,
&end
#
# 0 AMB 20-2:583 75 MET ME 2.80 (# 583:20 Single Ambig)
&rst
ixpk= 583, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 985, 986,1028,1029,
igr2=1156,1157,1158,
&end
#
# 73 THR MG2 75 MET ME 3.50 (# 584:20 Unique 3.98, 5.71 A)
&rst
ixpk= 584, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1120,1121,1122,
igr2=1156,1157,1158,
&end
#
# 0 AMB 20-2:585 75 MET ME 2.80 (# 585:20 Single Ambig)
&rst
ixpk= 585, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=1877,1878,1879,1315,1316,1317,1319,1320,1321,1190,
1191,1192,1194,1195,1196, 981, 982, 983,
igr2=1156,1157,1158,
&end
#
# 0 AMB 20-2:587 46 MET ME 2.80 (# 587:20 Single Ambig)
&rst
ixpk= 587, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=1546,1547,1548,1550,1551,1552,1546,1547,1548,1550,
1551,1552, 763, 764, 765, 767, 768, 769,
igr2= 714, 715, 716,
&end
#
# 49 LEU MDX 46 MET ME 2.80 (# 588:20 Unique 1.97, 4.74 A)
&rst
ixpk= 588, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 763, 764, 765, 767, 768, 769,
igr2= 714, 715, 716,
&end
#
# 76 ILE MD1 74 MET ME 2.80 (# 589:20 Unique 2.00, 4.03 A)
&rst
ixpk= 589, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1175,1176,1177,
igr2=1139,1140,1141,
&end
#
# 141 ALA MB 137 MET ME 4.50 (# 590:20 Unique 2.07, 5.65 A)
&rst
ixpk= 590, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=2185,2186,2187,
igr2=2127,2128,2129,
&end
#
# 0 AMB 20-2:591 137 MET ME 4.50 (# 591:20 Single Ambig)
&rst
ixpk= 591, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 280, 281,1120,1121,1122,
igr2=2127,2128,2129,
&end
#
# 0 AMB 20-2:592 137 MET ME 4.50 (# 592:20 Single Ambig)
&rst
ixpk= 592, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
igr1=1831,1832,1833,1835,1836,1837,2081,2082,2083,2085,
2086,2087,2081,2082,2083,2085,2086,2087,
igr2=2127,2128,2129,
&end
#
# 119 VAL MGY 137 MET ME 3.50 (# 593:20 Unique 2.32, 5.28 A)
&rst
ixpk= 593, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1854,1855,1856,1858,1859,1860,
igr2=2127,2128,2129,
&end
#
# 119 VAL MGX 137 MET ME 4.50 (# 594:20 Unique 2.32, 5.28 A)
&rst
ixpk= 594, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1854,1855,1856,1858,1859,1860,
igr2=2127,2128,2129,
&end
#
# 0 AMB 20-2:595 0 AMB 20-1:595 2.80 (# 595:20 Double Ambig)
&rst
ixpk= 595, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1315,1316,1317,1319,1320,1321,1508,1509,1510,1512,
1513,1514,
igr2=1310,1311,1503,1504,
&end
#
# 0 AMB 20-2:596 0 AMB 20-1:596 2.80 (# 596:20 Double Ambig)
&rst
ixpk= 596, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1508,1509,1510,1512,1513,1514,1508,1509,1510,1512,
1513,1514,
igr2=1503,1504,1503,1504,
&end
#
# 101 LEU MDX 101 LEU HB- 3.50 (# 597:20 Unique 2.29, 3.48 A)
&rst
ixpk= 597, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1565,1566,1567,1569,1570,1571,
igr2=1560,1561,
&end
#
# 146 LEU MDY 146 LEU HB- 4.50 (# 598:20 Unique 2.17, 3.25 A)
&rst
ixpk= 598, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2267,2268,2269,2271,2272,2273,
igr2=2262,2263,
&end
#
# 146 LEU MDX 146 LEU HB- 3.50 (# 599:20 Unique 2.17, 3.25 A)
&rst
ixpk= 599, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2267,2268,2269,2271,2272,2273,
igr2=2262,2263,
&end
#
# 0 AMB 20-2:600 149 LEU HB- 2.80 (# 600:20 Single Ambig)
&rst
ixpk= 600, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=2306,2307,2308,2310,2311,2312,2306,2307,2308,2310,
2311,2312,2379,2380,2381,2383,2384,2385,
igr2=2301,2302,
&end
#
# 0 AMB 20-2:601 59 ILE HB 2.80 (# 601:20 Single Ambig)
&rst
ixpk= 601, nxpk= 20, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 89, 90, 91, 93, 94, 95, 911, 912, 913,
&end
#
# 59 ILE MD1 59 ILE HB 3.50 (# 602:20 Unique 2.22, 3.02 A)
&rst
ixpk= 602, nxpk= 20, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 918, 919, 920,
&end
#
# 146 LEU MDY 146 LEU HG 3.50 (# 603:20 Unique 2.23, 2.63 A)
&rst
ixpk= 603, nxpk= 20, iat= -1,2265, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2267,2268,2269,2271,2272,2273,
&end
#
# 146 LEU MDX 146 LEU HG 3.50 (# 604:20 Unique 2.23, 2.63 A)
&rst
ixpk= 604, nxpk= 20, iat= -1,2265, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2267,2268,2269,2271,2272,2273,
&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= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 520, 521, 522, 524, 525, 526,1508,1509,1510,1512,
1513,1514, 405, 406, 407, 409, 410, 411,
igr2= 403,1506,
&end
#
# 0 AMB 20-2:609 61 ALA MB 2.80 (# 609:20 Single Ambig)
&rst
ixpk= 609, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 349, 350, 351, 342, 343, 344,
igr2= 947, 948, 949,
&end
#
# 104 LEU MDY 53 ALA MB 3.50 (# 610:20 Unique 1.93, 4.61 A)
&rst
ixpk= 610, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1605,1606,1607,1609,1610,1611,
igr2= 813, 814, 815,
&end
#
# 59 ILE HG1+ 148 ALA MB 4.50 (# 611:20 Unique 2.29, 4.22 A)
&rst
ixpk= 611, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 915, 916,
igr2=2291,2292,2293,
&end
#
# 59 ILE MD1 148 ALA MB 2.80 (# 612:20 Unique 1.99, 4.53 A)
&rst
ixpk= 612, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 918, 919, 920,
igr2=2291,2292,2293,
&end
#
# 0 AMB 20-2:614 52 MET ME 2.80 (# 614:20 Single Ambig)
&rst
ixpk= 614, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1605,1606,1607,1609,1610,1611,1508,1509,1510,1512,
1513,1514,
igr2= 803, 804, 805,
&end
#
# 0 AMB 20-2:615 3 ILE MD1 2.80 (# 615:20 Single Ambig)
&rst
ixpk= 615, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 583, 584, 585, 587, 588, 589,2306,2307,2308,2310,
2311,2312,
igr2= 58, 59, 60,
&end
#
# 73 THR HN 73 THR HB 3.50 (# 618:20 Unique 2.32, 2.54 A)
&rst
ixpk= 618, nxpk= 20, iat=1114,1118, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 133 THR HN 131 THR HB 4.50 (# 619:20 Unique 2.17, 3.07 A)
&rst
ixpk= 619, nxpk= 20, iat=2061,2037, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 70 THR HN 70 THR HB 5.50 (# 620:20 Unique 2.17, 2.78 A)
&rst
ixpk= 620, nxpk= 20, iat=1079,1083, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 THR HN 87 THR HB 3.50 (# 621:20 Unique 3.57, 3.59 A)
&rst
ixpk= 621, nxpk= 20, iat=1345,1349, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 133 THR HN 133 THR HB 3.50 (# 622:20 Unique 2.30, 2.56 A)
&rst
ixpk= 622, nxpk= 20, iat=2061,2065, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 134 VAL HN 133 THR HB 4.50 (# 623:20 Unique 2.94, 2.97 A)
&rst
ixpk= 623, nxpk= 20, iat=2075,2065, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:624 43 THR HB 4.50 (# 624:20 Single Ambig)
&rst
ixpk= 624, nxpk= 20, iat= -1, 676, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 686,1449, 696,
&end
#
# 82 VAL HN 82 VAL HA 5.50 (# 625:20 Unique 2.66, 2.68 A)
&rst
ixpk= 625, nxpk= 20, iat=1266,1268, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:626 145 VAL HA 5.50 (# 626:20 Single Ambig)
&rst
ixpk= 626, nxpk= 20, iat= -1,2244, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2287, 879,
&end
#
# 145 VAL HN 145 VAL HA 4.50 (# 627:20 Unique 2.75, 2.76 A)
&rst
ixpk= 627, nxpk= 20, iat=2242,2244, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:628 14 THR HB 5.50 (# 628:20 Single Ambig)
&rst
ixpk= 628, nxpk= 20, iat= -1, 223, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 245, 219,
&end
#
# 15 ASP HN 14 THR HB 3.50 (# 629:20 Unique 1.64, 1.75 A)
&rst
ixpk= 629, nxpk= 20, iat= 233, 223, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 14 THR HG1 14 THR HB 3.50 (# 630:20 Unique 2.13, 2.38 A)
&rst
ixpk= 630, nxpk= 20, iat= 229, 223, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 138 ILE HN 138 ILE HA 4.50 (# 631:20 Unique 2.78, 2.81 A)
&rst
ixpk= 631, nxpk= 20, iat=2133,2135, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 ILE HN 22 ILE HA 4.50 (# 632:20 Unique 2.80, 2.82 A)
&rst
ixpk= 632, nxpk= 20, iat= 336, 338, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 23 VAL HN 23 VAL HA 4.50 (# 633:20 Unique 2.72, 2.75 A)
&rst
ixpk= 633, nxpk= 20, iat= 355, 357, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:634 23 VAL HA 5.50 (# 634:20 Single Ambig)
&rst
ixpk= 634, nxpk= 20, iat= -1, 357, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 415, 386,
&end
#
# 0 AMB 20-2:635 100 VAL HA 2.80 (# 635:20 Single Ambig)
&rst
ixpk= 635, nxpk= 20, iat= -1,1542, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1540,1586,
&end
#
# 0 AMB 20-2:636 100 VAL HA 4.50 (# 636:20 Single Ambig)
&rst
ixpk= 636, nxpk= 20, iat= -1,1542, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1556,1575,
&end
#
# 137 MET HN 134 VAL HA 4.50 (# 637:20 Unique 3.15, 3.38 A)
&rst
ixpk= 637, nxpk= 20, iat=2116,2077, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 134 VAL HN 134 VAL HA 4.50 (# 638:20 Unique 2.90, 2.92 A)
&rst
ixpk= 638, nxpk= 20, iat=2075,2077, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 141 ALA HN 140 PRO HA 5.50 (# 639:20 Unique 3.55, 3.56 A)
&rst
ixpk= 639, nxpk= 20, iat=2181,2177, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 86 PHE HD 83 PRO HA 4.50 (# 640:20 Unique 2.18, 4.09 A)
&rst
ixpk= 640, nxpk= 20, iat= -1,1292, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1333,1341,
&end
#
# 86 PHE HN 83 PRO HA 5.50 (# 641:20 Unique 3.28, 3.63 A)
&rst
ixpk= 641, nxpk= 20, iat=1325,1292, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 VAL HN 20 VAL HA 4.50 (# 642:20 Unique 2.84, 2.88 A)
&rst
ixpk= 642, nxpk= 20, iat= 296, 298, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 135 GLU HN 132 PRO HA 4.50 (# 643:20 Unique 3.35, 4.18 A)
&rst
ixpk= 643, nxpk= 20, iat=2091,2057, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 133 THR HN 133 THR HA 3.50 (# 644:20 Unique 2.86, 2.94 A)
&rst
ixpk= 644, nxpk= 20, iat=2061,2063, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 134 VAL HN 133 THR HA 4.50 (# 645:20 Unique 3.47, 3.49 A)
&rst
ixpk= 645, nxpk= 20, iat=2075,2063, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 123 SER HN 123 SER HB- 4.50 (# 646:20 Unique 2.33, 3.09 A)
&rst
ixpk= 646, nxpk= 20, iat=1912, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1916,1917,
&end
#
# 152 SER HN 152 SER HB- 4.50 (# 647:20 Unique 2.11, 2.65 A)
&rst
ixpk= 647, nxpk= 20, iat=2355, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2359,2360,
&end
#
# 14 THR HN 14 THR HA 2.80 (# 648:20 Unique 2.28, 2.28 A)
&rst
ixpk= 648, nxpk= 20, iat= 219, 221, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 14 THR HG1 14 THR HA 4.50 (# 649:20 Unique 2.28, 2.86 A)
&rst
ixpk= 649, nxpk= 20, iat= 229, 221, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:650 66 SER HB- 4.50 (# 650:20 Single Ambig)
&rst
ixpk= 650, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1368,1369,1010,
igr2=1014,1015,
&end
#
# 74 MET HN 73 THR HA 2.80 (# 651:20 Unique 2.15, 2.20 A)
&rst
ixpk= 651, nxpk= 20, iat=1128,1116, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 73 THR HN 73 THR HA 4.50 (# 652:20 Unique 2.94, 2.95 A)
&rst
ixpk= 652, nxpk= 20, iat=1114,1116, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 73 THR HN 71 PRO HA 5.50 (# 653:20 Unique 3.52, 3.65 A)
&rst
ixpk= 653, nxpk= 20, iat=1114,1103, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 GLY HN 71 PRO HA 3.50 (# 654:20 Unique 2.19, 2.29 A)
&rst
ixpk= 654, nxpk= 20, iat=1107,1103, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 160 SER HN 160 SER HB+ 4.50 (# 655:20 Unique 2.92, 3.37 A)
&rst
ixpk= 655, nxpk= 20, iat=2471, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2475,2476,
&end
#
# 160 SER HN 160 SER HB- 4.50 (# 656:20 Unique 2.92, 3.37 A)
&rst
ixpk= 656, nxpk= 20, iat=2471, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2475,2476,
&end
#
# 11 ILE HN 11 ILE HA 5.50 (# 657:20 Unique 2.83, 2.90 A)
&rst
ixpk= 657, nxpk= 20, iat= 162, 164, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:658 11 ILE HA 5.50 (# 658:20 Single Ambig)
&rst
ixpk= 658, nxpk= 20, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 181, 260,
&end
#
# 91 SER HN 0 AMB 20-1:659 3.50 (# 659:20 Single Ambig)
&rst
ixpk= 659, nxpk= 20, iat=1414, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1418,1419,1418,1419,
&end
#
# 30 TYR HD 158 PRO HA 3.50 (# 660:20 Unique 2.48, 3.77 A)
&rst
ixpk= 660, nxpk= 20, iat= -1,2443, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 479, 488,
&end
#
# 159 ARG HN 158 PRO HA 2.80 (# 661:20 Unique 2.45, 2.51 A)
&rst
ixpk= 661, nxpk= 20, iat=2447,2443, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 30 TYR HE 158 PRO HA 4.50 (# 662:20 Unique 3.09, 4.32 A)
&rst
ixpk= 662, nxpk= 20, iat= -1,2443, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 481, 486,
&end
#
# 122 GLU HN 121 PRO HA 3.50 (# 663:20 Unique 2.19, 2.51 A)
&rst
ixpk= 663, nxpk= 20, iat=1897,1893, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 88 ASN HN 87 THR HA 4.50 (# 664:20 Unique 2.14, 2.91 A)
&rst
ixpk= 664, nxpk= 20, iat=1359,1347, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 87 THR HN 87 THR HA 4.50 (# 665:20 Unique 2.70, 2.79 A)
&rst
ixpk= 665, nxpk= 20, iat=1345,1347, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 102 SER HN 102 SER HB+ 3.50 (# 666:20 Unique 2.07, 2.77 A)
&rst
ixpk= 666, nxpk= 20, iat=1575, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1579,1580,
&end
#
# 103 ALA HN 102 SER HB+ 3.50 (# 667:20 Unique 2.73, 3.12 A)
&rst
ixpk= 667, nxpk= 20, iat=1586, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1579,1580,
&end
#
# 102 SER HN 102 SER HB- 3.50 (# 668:20 Unique 2.07, 2.77 A)
&rst
ixpk= 668, nxpk= 20, iat=1575, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1579,1580,
&end
#
# 103 ALA HN 102 SER HB- 4.50 (# 669:20 Unique 2.73, 3.12 A)
&rst
ixpk= 669, nxpk= 20, iat=1586, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1579,1580,
&end
#
# 18 ILE HN 18 ILE HA 4.50 (# 670:20 Unique 2.68, 2.73 A)
&rst
ixpk= 670, nxpk= 20, iat= 270, 272, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 34 ASP HN 33 PRO HA 2.80 (# 671:20 Unique 2.68, 2.71 A)
&rst
ixpk= 671, nxpk= 20, iat= 544, 540, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 107 THR HN 107 THR HA 4.50 (# 672:20 Unique 2.76, 2.84 A)
&rst
ixpk= 672, nxpk= 20, iat=1659,1661, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 66 SER HN 65 VAL HA 3.50 (# 673:20 Unique 2.27, 2.67 A)
&rst
ixpk= 673, nxpk= 20, iat=1010, 996, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 155 GLU HN 154 VAL HA 2.80 (# 674:20 Unique 2.18, 2.32 A)
&rst
ixpk= 674, nxpk= 20, iat=2389,2375, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 154 VAL HN 154 VAL HA 4.50 (# 675:20 Unique 2.91, 2.93 A)
&rst
ixpk= 675, nxpk= 20, iat=2373,2375, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 118 GLY HN 117 VAL HA 2.80 (# 676:20 Unique 2.14, 2.15 A)
&rst
ixpk= 676, nxpk= 20, iat=1841,1827, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 76 ILE HA 117 VAL HA 4.50 (# 677:20 Unique 2.78, 2.90 A)
&rst
ixpk= 677, nxpk= 20, iat=1164,1827, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:678 36 VAL HA 2.80 (# 678:20 Single Ambig)
&rst
ixpk= 678, nxpk= 20, iat= -1, 579, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 593, 45,
&end
#
# 36 VAL HN 36 VAL HA 4.50 (# 679:20 Unique 2.90, 2.93 A)
&rst
ixpk= 679, nxpk= 20, iat= 577, 579, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:680 0 AMB 20-1:680 2.80 (# 680:20 Double Ambig)
&rst
ixpk= 680, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 994,1575,
igr2= 996,1577,
&end
#
# 0 AMB 20-2:681 0 AMB 20-1:681 2.80 (# 681:20 Double Ambig)
&rst
ixpk= 681, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1615,1586,2210,
igr2=1577,2154,
&end
#
# 142 LEU HN 139 GLU HA 4.50 (# 682:20 Unique 4.12, 4.18 A)
&rst
ixpk= 682, nxpk= 20, iat=2191,2154, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 139 GLU HN 139 GLU HA 2.80 (# 683:20 Unique 2.77, 2.80 A)
&rst
ixpk= 683, nxpk= 20, iat=2152,2154, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 20-2:684 0 AMB 20-1:684 3.50 (# 684:20 Double Ambig)
&rst
ixpk= 684, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1414,2210,
igr2=1397,2154,
&end
#
# 129 GLY HN 128 ILE HA 3.50 (# 686:20 Unique 2.15, 2.42 A)
&rst
ixpk= 686, nxpk= 20, iat=2007,1990, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 31 ILE HN 31 ILE HA 4.50 (# 687:20 Unique 2.90, 2.91 A)
&rst
ixpk= 687, nxpk= 20, iat= 492, 494, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 32 LEU HN 31 ILE HA 2.80 (# 688:20 Unique 2.15, 2.16 A)
&rst
ixpk= 688, nxpk= 20, iat= 511, 494, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 20-2:689 43 THR HA 3.50 (# 689:20 Single Ambig)
&rst
ixpk= 689, nxpk= 20, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 686,1449,
&end
#
# 43 THR HN 43 THR HA 4.50 (# 690:20 Unique 2.28, 2.28 A)
&rst
ixpk= 690, nxpk= 20, iat= 672, 674, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 106 PHE HD 106 PHE HA 3.50 (# 691:20 Unique 1.79, 3.26 A)
&rst
ixpk= 691, nxpk= 20, iat= -1,1641, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1647,1655,
&end
#
# 0 AMB 20-2:692 106 PHE HA 3.50 (# 692:20 Single Ambig)
&rst
ixpk= 692, nxpk= 20, iat= -1,1641, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1639,1659,
&end
#
# 49 LEU HN 49 LEU HA 3.50 (# 693:20 Unique 2.70, 2.75 A)
&rst
ixpk= 693, nxpk= 20, iat= 754, 756, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 162 SER HN 162 SER HA 5.50 (# 694:20 Unique 2.28, 2.78 A)
&rst
ixpk= 694, nxpk= 20, iat=2494,2496, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 135 GLU HN 135 GLU HA 4.50 (# 695:20 Unique 2.77, 2.78 A)
&rst
ixpk= 695, nxpk= 20, iat=2091,2093, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 150 ARG HN 150 ARG HA 3.50 (# 696:20 Unique 2.77, 2.78 A)
&rst
ixpk= 696, nxpk= 20, iat=2316,2318, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 154 VAL HN 150 ARG HA 3.50 (# 697:20 Unique 2.37, 2.88 A)
&rst
ixpk= 697, nxpk= 20, iat=2373,2318, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 146 LEU HN 143 GLU HA 4.50 (# 698:20 Unique 3.78, 3.82 A)
&rst
ixpk= 698, nxpk= 20, iat=2258,2212, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:699 143 GLU HA 3.50 (# 699:20 Single Ambig)
&rst
ixpk= 699, nxpk= 20, iat= -1,2212, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2210,2277,
&end
#
# 65 VAL HN 64 ILE HA 3.50 (# 700:20 Unique 2.56, 3.47 A)
&rst
ixpk= 700, nxpk= 20, iat= 994, 977, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 64 ILE HN 64 ILE HA 4.50 (# 701:20 Unique 2.80, 2.88 A)
&rst
ixpk= 701, nxpk= 20, iat= 975, 977, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 47 GLU HN 47 GLU HA 3.50 (# 702:20 Unique 2.85, 2.91 A)
&rst
ixpk= 702, nxpk= 20, iat= 720, 722, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:703 0 AMB 20-1:703 4.50 (# 703:20 Double Ambig)
&rst
ixpk= 703, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2404, 735,
igr2=2318, 722,
&end
#
# 0 AMB 20-2:704 0 AMB 20-1:704 5.50 (# 704:20 Double Ambig)
&rst
ixpk= 704, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 754, 442, 443,
igr2= 722, 373,
&end
#
# 0 AMB 20-2:705 151 GLU HA 2.80 (# 705:20 Single Ambig)
&rst
ixpk= 705, nxpk= 20, iat= -1,2342, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2340,2366,
&end
#
# 0 AMB 20-2:706 24 GLU HA 3.50 (# 706:20 Single Ambig)
&rst
ixpk= 706, nxpk= 20, iat= -1, 373, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 415, 386,
&end
#
# 152 SER HN 151 GLU HA 4.50 (# 707:20 Unique 3.46, 3.49 A)
&rst
ixpk= 707, nxpk= 20, iat=2355,2342, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 80 GLU HN 80 GLU HA 4.50 (# 708:20 Unique 2.89, 2.90 A)
&rst
ixpk= 708, nxpk= 20, iat=1236,1238, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 81 GLU HN 80 GLU HA 5.50 (# 709:20 Unique 3.27, 3.31 A)
&rst
ixpk= 709, nxpk= 20, iat=1251,1238, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:710 0 AMB 20-1:710 2.80 (# 710:20 Double Ambig)
&rst
ixpk= 710, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 371, 773,
igr2= 373, 722,
&end
#
# 0 AMB 20-2:712 152 SER HA 4.50 (# 712:20 Single Ambig)
&rst
ixpk= 712, nxpk= 20, iat= -1,2357, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2366,2340,
&end
#
# 152 SER HN 152 SER HA 4.50 (# 713:20 Unique 2.83, 2.87 A)
&rst
ixpk= 713, nxpk= 20, iat=2355,2357, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 27 GLU HN 27 GLU HA 2.80 (# 714:20 Unique 2.78, 2.83 A)
&rst
ixpk= 714, nxpk= 20, iat= 415, 417, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 20-2:715 26 LEU HA 3.50 (# 715:20 Single Ambig)
&rst
ixpk= 715, nxpk= 20, iat= -1, 398, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 415, 386,
&end
#
# 30 TYR HD 26 LEU HA 3.50 (# 716:20 Unique 2.00, 4.76 A)
&rst
ixpk= 716, nxpk= 20, iat= -1, 398, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 479, 488,
&end
#
# 0 AMB 20-2:717 101 LEU HA 4.50 (# 717:20 Single Ambig)
&rst
ixpk= 717, nxpk= 20, iat= -1,1558, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1556,1575,
&end
#
# 110 PHE HD 101 LEU HA 4.50 (# 718:20 Unique 4.43, 6.31 A)
&rst
ixpk= 718, nxpk= 20, iat= -1,1558, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1703,1711,
&end
#
# 0 AMB 20-2:719 16 GLU HA 4.50 (# 719:20 Single Ambig)
&rst
ixpk= 719, nxpk= 20, iat= -1, 247, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 245, 965,
&end
#
# 0 AMB 20-2:720 0 AMB 20-1:720 2.80 (# 720:20 Double Ambig)
&rst
ixpk= 720, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 430,1266, 471,
igr2= 417,1253,
&end
#
# 142 LEU HN 142 LEU HA 4.50 (# 721:20 Unique 2.77, 2.80 A)
&rst
ixpk= 721, nxpk= 20, iat=2191,2193, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 143 GLU HN 142 LEU HA 5.50 (# 722:20 Unique 3.56, 3.57 A)
&rst
ixpk= 722, nxpk= 20, iat=2210,2193, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 145 VAL HN 142 LEU HA 4.50 (# 723:20 Unique 3.37, 3.63 A)
&rst
ixpk= 723, nxpk= 20, iat=2242,2193, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 146 LEU HN 146 LEU HA 4.50 (# 724:20 Unique 2.77, 2.79 A)
&rst
ixpk= 724, nxpk= 20, iat=2258,2260, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 81 GLU HN 81 GLU HA 4.50 (# 725:20 Unique 2.93, 2.93 A)
&rst
ixpk= 725, nxpk= 20, iat=1251,1253, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 GLN HN 28 GLN HA 2.80 (# 726:20 Unique 2.89, 2.91 A)
&rst
ixpk= 726, nxpk= 20, iat= 430, 432, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 149 LEU HN 149 LEU HA 2.80 (# 727:20 Unique 2.83, 2.84 A)
&rst
ixpk= 727, nxpk= 20, iat=2297,2299, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 161 ASP HN 160 SER HA 3.50 (# 728:20 Unique 2.30, 2.72 A)
&rst
ixpk= 728, nxpk= 20, iat=2482,2473, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:729 0 AMB 20-1:729 3.50 (# 729:20 Double Ambig)
&rst
ixpk= 729, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 857,1897,
igr2= 859,1899,
&end
#
# 112 LYS HN 56 ASP HA 4.50 (# 730:20 Unique 1.94, 2.36 A)
&rst
ixpk= 730, nxpk= 20, iat=1729, 859, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 144 GLN HN 144 GLN HA 3.50 (# 731:20 Unique 2.81, 2.82 A)
&rst
ixpk= 731, nxpk= 20, iat=2225,2227, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 110 PHE HD 110 PHE HA 4.50 (# 732:20 Unique 1.99, 3.29 A)
&rst
ixpk= 732, nxpk= 20, iat= -1,1697, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1703,1711,
&end
#
# 52 MET HN 52 MET HA 4.50 (# 733:20 Unique 2.87, 2.94 A)
&rst
ixpk= 733, nxpk= 20, iat= 792, 794, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:734 99 ASP HA 3.50 (# 734:20 Single Ambig)
&rst
ixpk= 734, nxpk= 20, iat= -1,1530, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1540,1586,
&end
#
# 29 ARG HN 29 ARG HA 4.50 (# 735:20 Unique 2.90, 2.91 A)
&rst
ixpk= 735, nxpk= 20, iat= 447, 449, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 148 ALA HN 144 GLN HA 5.50 (# 736:20 Unique 4.20, 4.46 A)
&rst
ixpk= 736, nxpk= 20, iat=2287,2227, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 147 ALA HN 144 GLN HA 3.50 (# 737:20 Unique 3.42, 3.54 A)
&rst
ixpk= 737, nxpk= 20, iat=2277,2227, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 95 LEU HN 95 LEU HA 4.50 (# 738:20 Unique 2.70, 2.73 A)
&rst
ixpk= 738, nxpk= 20, iat=1473,1475, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 79 ASP HN 79 ASP HA 2.80 (# 739:20 Unique 2.75, 2.76 A)
&rst
ixpk= 739, nxpk= 20, iat=1224,1226, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 114 LEU HN 79 ASP HA 5.50 (# 740:20 Unique 3.61, 3.81 A)
&rst
ixpk= 740, nxpk= 20, iat=1773,1226, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 80 GLU HN 79 ASP HA 4.50 (# 741:20 Unique 3.49, 3.52 A)
&rst
ixpk= 741, nxpk= 20, iat=1236,1226, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 160 SER HN 159 ARG HA 3.50 (# 742:20 Unique 3.03, 3.08 A)
&rst
ixpk= 742, nxpk= 20, iat=2471,2449, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 85 LEU HN 85 LEU HA 3.50 (# 743:20 Unique 2.88, 2.90 A)
&rst
ixpk= 743, nxpk= 20, iat=1306,1308, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 100 VAL HN 97 LEU HA 4.50 (# 744:20 Unique 3.26, 3.40 A)
&rst
ixpk= 744, nxpk= 20, iat=1540,1501, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 86 PHE HD 86 PHE HA 3.50 (# 745:20 Unique 1.97, 3.34 A)
&rst
ixpk= 745, nxpk= 20, iat= -1,1327, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1333,1341,
&end
#
# 52 MET HN 51 ASP HA 4.50 (# 746:20 Unique 3.23, 3.42 A)
&rst
ixpk= 746, nxpk= 20, iat= 792, 782, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 51 ASP HN 51 ASP HA 3.50 (# 747:20 Unique 2.78, 2.86 A)
&rst
ixpk= 747, nxpk= 20, iat= 780, 782, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 97 LEU HN 97 LEU HA 4.50 (# 748:20 Unique 2.72, 2.74 A)
&rst
ixpk= 748, nxpk= 20, iat=1499,1501, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 127 HIS HN 127 HIS HA 4.50 (# 750:20 Unique 2.80, 2.87 A)
&rst
ixpk= 750, nxpk= 20, iat=1971,1973, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:751 0 AMB 20-1:751 3.50 (# 751:20 Double Ambig)
&rst
ixpk= 751, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1373,1596,
igr2=1375,1598,
&end
#
# 0 AMB 20-2:752 0 AMB 20-1:752 4.50 (# 752:20 Double Ambig)
&rst
ixpk= 752, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1615,1414,1659,
igr2=1598,1375,
&end
#
# 21 ARG HN 21 ARG HA 4.50 (# 753:20 Unique 2.75, 2.77 A)
&rst
ixpk= 753, nxpk= 20, iat= 312, 314, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 90 ILE HN 89 LYS HA 3.50 (# 754:20 Unique 2.15, 2.71 A)
&rst
ixpk= 754, nxpk= 20, iat=1395,1375, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 34 ASP HN 34 ASP HA 3.50 (# 755:20 Unique 2.87, 2.88 A)
&rst
ixpk= 755, nxpk= 20, iat= 544, 546, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 35 TYR HN 34 ASP HA 5.50 (# 756:20 Unique 3.53, 3.56 A)
&rst
ixpk= 756, nxpk= 20, iat= 556, 546, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 VAL HN 34 ASP HA 5.50 (# 757:20 Unique 3.76, 3.89 A)
&rst
ixpk= 757, nxpk= 20, iat= 577, 546, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 MET HN 46 MET HA 3.50 (# 758:20 Unique 2.27, 2.77 A)
&rst
ixpk= 758, nxpk= 20, iat= 703, 705, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:759 46 MET HA 4.50 (# 759:20 Single Ambig)
&rst
ixpk= 759, nxpk= 20, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 735,1556,
&end
#
# 69 ASN HN 68 LYS HA 4.50 (# 760:20 Unique 2.17, 2.55 A)
&rst
ixpk= 760, nxpk= 20, iat=1065,1045, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:761 0 AMB 20-1:761 4.50 (# 761:20 Double Ambig)
&rst
ixpk= 761, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1368,1369,1751,
igr2=1023,1753,
&end
#
# 114 LEU HN 113 LYS HA 2.80 (# 762:20 Unique 2.14, 2.15 A)
&rst
ixpk= 762, nxpk= 20, iat=1773,1753, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 20-2:763 103 ALA HA 2.80 (# 763:20 Single Ambig)
&rst
ixpk= 763, nxpk= 20, iat= -1,1588, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1586,1659,
&end
#
# 104 LEU HN 103 ALA HA 5.50 (# 764:20 Unique 3.47, 3.52 A)
&rst
ixpk= 764, nxpk= 20, iat=1596,1588, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 142 LEU HN 141 ALA HA 5.50 (# 765:20 Unique 3.56, 3.56 A)
&rst
ixpk= 765, nxpk= 20, iat=2191,2183, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 141 ALA HN 141 ALA HA 3.50 (# 766:20 Unique 2.77, 2.80 A)
&rst
ixpk= 766, nxpk= 20, iat=2181,2183, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 144 GLN HN 141 ALA HA 4.50 (# 767:20 Unique 3.62, 3.70 A)
&rst
ixpk= 767, nxpk= 20, iat=2225,2183, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:768 98 ALA HA 4.50 (# 768:20 Single Ambig)
&rst
ixpk= 768, nxpk= 20, iat= -1,1520, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1518,1556,
&end
#
# 125 GLU HN 125 GLU HA 4.50 (# 769:20 Unique 2.85, 2.92 A)
&rst
ixpk= 769, nxpk= 20, iat=1942,1944, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 150 ARG HN 147 ALA HA 4.50 (# 770:20 Unique 3.47, 3.56 A)
&rst
ixpk= 770, nxpk= 20, iat=2316,2279, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 147 ALA HN 147 ALA HA 3.50 (# 771:20 Unique 2.76, 2.77 A)
&rst
ixpk= 771, nxpk= 20, iat=2277,2279, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:772 147 ALA HA 4.50 (# 772:20 Single Ambig)
&rst
ixpk= 772, nxpk= 20, iat= -1,2279, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2287,2340,
&end
#
# 109 GLU HN 109 GLU HA 3.50 (# 773:20 Unique 2.29, 2.77 A)
&rst
ixpk= 773, nxpk= 20, iat=1680,1682, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:774 109 GLU HA 4.50 (# 774:20 Single Ambig)
&rst
ixpk= 774, nxpk= 20, iat= -1,1682, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1695, 828, 829,
&end
#
# 38 ILE HN 37 GLU HA 2.80 (# 775:20 Unique 2.23, 2.29 A)
&rst
ixpk= 775, nxpk= 20, iat= 608, 595, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 37 GLU HN 37 GLU HA 4.50 (# 776:20 Unique 2.92, 2.94 A)
&rst
ixpk= 776, nxpk= 20, iat= 593, 595, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:777 25 ALA HA 3.50 (# 777:20 Single Ambig)
&rst
ixpk= 777, nxpk= 20, iat= -1, 388, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 430, 396,
&end
#
# 25 ALA HN 25 ALA HA 2.80 (# 778:20 Unique 2.79, 2.81 A)
&rst
ixpk= 778, nxpk= 20, iat= 386, 388, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 48 LEU HN 48 LEU HA 3.50 (# 779:20 Unique 2.88, 2.90 A)
&rst
ixpk= 779, nxpk= 20, iat= 735, 737, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:780 148 ALA HA 3.50 (# 780:20 Single Ambig)
&rst
ixpk= 780, nxpk= 20, iat= -1,2289, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=2287, 879,2340,
&end
#
# 144 GLN HE2- 148 ALA HA 4.50 (# 781:20 Unique 3.97, 5.04 A)
&rst
ixpk= 781, nxpk= 20, iat= -1,2289, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2237,2238,
&end
#
# 0 AMB 20-2:782 84 ALA HA 4.50 (# 782:20 Single Ambig)
&rst
ixpk= 782, nxpk= 20, iat= -1,1298, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1306,1325,
&end
#
# 84 ALA HN 84 ALA HA 3.50 (# 783:20 Unique 2.78, 2.83 A)
&rst
ixpk= 783, nxpk= 20, iat=1296,1298, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 76 ILE HN 75 MET HA 2.80 (# 784:20 Unique 2.14, 2.20 A)
&rst
ixpk= 784, nxpk= 20, iat=1162,1147, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 75 MET HN 75 MET HA 5.50 (# 785:20 Unique 2.92, 2.94 A)
&rst
ixpk= 785, nxpk= 20, iat=1145,1147, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 ARG HN 54 ASN HA 4.50 (# 787:20 Unique 2.15, 2.24 A)
&rst
ixpk= 787, nxpk= 20, iat= 833, 821, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 2 ARG HN 1 MET HA 4.50 (# 788:20 Unique 2.14, 2.25 A)
&rst
ixpk= 788, nxpk= 20, iat= 21, 6, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 162 SER HN 161 ASP HA 5.50 (# 789:20 Unique 2.20, 3.05 A)
&rst
ixpk= 789, nxpk= 20, iat=2494,2484, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 155 GLU HN 155 GLU HA 3.50 (# 790:20 Unique 2.85, 2.86 A)
&rst
ixpk= 790, nxpk= 20, iat=2389,2391, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:791 0 AMB 20-1:791 2.80 (# 791:20 Double Ambig)
&rst
ixpk= 791, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2404, 819,
igr2=2391, 821,
&end
#
# 137 MET HN 136 ALA HA 4.50 (# 792:20 Unique 3.34, 3.37 A)
&rst
ixpk= 792, nxpk= 20, iat=2116,2108, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 136 ALA HN 136 ALA HA 2.80 (# 793:20 Unique 2.83, 2.87 A)
&rst
ixpk= 793, nxpk= 20, iat=2106,2108, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 56 ASP HN 55 ARG HA 3.50 (# 794:20 Unique 2.17, 2.35 A)
&rst
ixpk= 794, nxpk= 20, iat= 857, 835, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:795 44 ALA HA 2.80 (# 795:20 Single Ambig)
&rst
ixpk= 795, nxpk= 20, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 686, 696,
&end
#
# 53 ALA HN 53 ALA HA 4.50 (# 796:20 Unique 2.73, 2.86 A)
&rst
ixpk= 796, nxpk= 20, iat= 809, 811, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 54 ASN HN 53 ALA HA 3.50 (# 797:20 Unique 3.21, 3.51 A)
&rst
ixpk= 797, nxpk= 20, iat= 819, 811, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 ALA HN 17 ALA HA 4.50 (# 798:20 Unique 2.75, 2.86 A)
&rst
ixpk= 798, nxpk= 20, iat= 260, 262, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 11 ILE HN 10 ASN HA 2.80 (# 799:20 Unique 2.14, 2.19 A)
&rst
ixpk= 799, nxpk= 20, iat= 162, 150, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 10 ASN HD2- 10 ASN HA 4.50 (# 800:20 Unique 2.79, 3.60 A)
&rst
ixpk= 800, nxpk= 20, iat= -1, 150, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 157, 158,
&end
#
# 0 AMB 20-2:801 156 ALA HA 2.80 (# 801:20 Single Ambig)
&rst
ixpk= 801, nxpk= 20, iat= -1,2406, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2414,2404,
&end
#
# 139 GLU HN 140 PRO HD+ 4.50 (# 802:20 Unique 1.92, 2.54 A)
&rst
ixpk= 802, nxpk= 20, iat=2152, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2168,2169,
&end
#
# 141 ALA HN 140 PRO HD+ 5.50 (# 803:20 Unique 2.67, 3.27 A)
&rst
ixpk= 803, nxpk= 20, iat=2181, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2168,2169,
&end
#
# 139 GLU HN 140 PRO HD- 4.50 (# 804:20 Unique 1.92, 2.54 A)
&rst
ixpk= 804, nxpk= 20, iat=2152, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2168,2169,
&end
#
# 82 VAL HN 83 PRO HD- 3.50 (# 805:20 Unique 2.17, 2.78 A)
&rst
ixpk= 805, nxpk= 20, iat=1266, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1283,1284,
&end
#
# 82 VAL HN 83 PRO HD+ 4.50 (# 806:20 Unique 2.17, 2.78 A)
&rst
ixpk= 806, nxpk= 20, iat=1266, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1283,1284,
&end
#
# 43 THR HN 42 GLY HA+ 2.80 (# 807:20 Unique 2.16, 2.83 A)
&rst
ixpk= 807, nxpk= 20, iat= 672, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 667, 668,
&end
#
# 42 GLY HN 42 GLY HA+ 3.50 (# 808:20 Unique 2.29, 2.54 A)
&rst
ixpk= 808, nxpk= 20, iat= 665, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 667, 668,
&end
#
# 44 ALA HN 42 GLY HA+ 4.50 (# 809:20 Unique 3.81, 4.40 A)
&rst
ixpk= 809, nxpk= 20, iat= 686, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 667, 668,
&end
#
# 43 THR HN 42 GLY HA- 3.50 (# 811:20 Unique 2.16, 2.83 A)
&rst
ixpk= 811, nxpk= 20, iat= 672, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 667, 668,
&end
#
# 42 GLY HN 42 GLY HA- 2.80 (# 812:20 Unique 2.29, 2.54 A)
&rst
ixpk= 812, nxpk= 20, iat= 665, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 667, 668,
&end
#
# 19 GLY HN 19 GLY HA+ 4.50 (# 813:20 Unique 2.29, 2.57 A)
&rst
ixpk= 813, nxpk= 20, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 291, 292,
&end
#
# 96 GLY HN 96 GLY HA- 3.50 (# 814:20 Unique 2.29, 2.53 A)
&rst
ixpk= 814, nxpk= 20, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1494,1495,
&end
#
# 96 GLY HN 96 GLY HA+ 3.50 (# 815:20 Unique 2.29, 2.53 A)
&rst
ixpk= 815, nxpk= 20, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1494,1495,
&end
#
# 19 GLY HN 19 GLY HA- 4.50 (# 816:20 Unique 2.29, 2.57 A)
&rst
ixpk= 816, nxpk= 20, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 291, 292,
&end
#
# 50 GLY HN 50 GLY HA- 2.80 (# 817:20 Unique 2.29, 2.54 A)
&rst
ixpk= 817, nxpk= 20, iat= 773, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 775, 776,
&end
#
# 0 AMB 20-2:818 50 GLY HA- 4.50 (# 818:20 Single Ambig)
&rst
ixpk= 818, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 780, 828, 829,
igr2= 775, 776,
&end
#
# 50 GLY HN 50 GLY HA+ 2.80 (# 820:20 Unique 2.29, 2.54 A)
&rst
ixpk= 820, nxpk= 20, iat= 773, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 775, 776,
&end
#
# 0 AMB 20-2:821 0 AMB 20-1:821 4.50 (# 821:20 Double Ambig)
&rst
ixpk= 821, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 780, 828, 829,
igr2= 775, 776, 775, 776,
&end
#
# 108 GLY HN 108 GLY HA+ 4.50 (# 822:20 Unique 2.30, 2.64 A)
&rst
ixpk= 822, nxpk= 20, iat=1673, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1675,1676,
&end
#
# 108 GLY HN 108 GLY HA- 3.50 (# 823:20 Unique 2.30, 2.64 A)
&rst
ixpk= 823, nxpk= 20, iat=1673, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1675,1676,
&end
#
# 46 MET HN 45 GLY HA+ 4.50 (# 824:20 Unique 2.16, 2.84 A)
&rst
ixpk= 824, nxpk= 20, iat= 703, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 698, 699,
&end
#
# 45 GLY HN 45 GLY HA+ 3.50 (# 825:20 Unique 2.31, 2.66 A)
&rst
ixpk= 825, nxpk= 20, iat= 696, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 698, 699,
&end
#
# 46 MET HN 45 GLY HA- 3.50 (# 826:20 Unique 2.16, 2.84 A)
&rst
ixpk= 826, nxpk= 20, iat= 703, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 698, 699,
&end
#
# 41 GLY HN 41 GLY HA+ 4.50 (# 827:20 Unique 2.29, 2.56 A)
&rst
ixpk= 827, nxpk= 20, iat= 658, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 660, 661,
&end
#
# 154 VAL HN 153 GLY HA+ 4.50 (# 828:20 Unique 2.96, 3.25 A)
&rst
ixpk= 828, nxpk= 20, iat=2373, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2368,2369,
&end
#
# 153 GLY HN 153 GLY HA+ 3.50 (# 829:20 Unique 2.52, 2.75 A)
&rst
ixpk= 829, nxpk= 20, iat=2366, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2368,2369,
&end
#
# 153 GLY HN 153 GLY HA- 2.80 (# 830:20 Unique 2.52, 2.75 A)
&rst
ixpk= 830, nxpk= 20, iat=2366, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2368,2369,
&end
#
# 154 VAL HN 153 GLY HA- 4.50 (# 831:20 Unique 2.96, 3.25 A)
&rst
ixpk= 831, nxpk= 20, iat=2373, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2368,2369,
&end
#
# 45 GLY HN 45 GLY HA- 3.50 (# 832:20 Unique 2.31, 2.66 A)
&rst
ixpk= 832, nxpk= 20, iat= 696, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 698, 699,
&end
#
# 41 GLY HN 41 GLY HA- 3.50 (# 833:20 Unique 2.29, 2.56 A)
&rst
ixpk= 833, nxpk= 20, iat= 658, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 660, 661,
&end
#
# 7 GLY HN 7 GLY HA- 4.50 (# 834:20 Unique 2.47, 2.76 A)
&rst
ixpk= 834, nxpk= 20, iat= 118, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 120, 121,
&end
#
# 8 VAL HN 7 GLY HA- 3.50 (# 835:20 Unique 2.15, 2.79 A)
&rst
ixpk= 835, nxpk= 20, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 120, 121,
&end
#
# 72 GLY HN 72 GLY HA+ 3.50 (# 836:20 Unique 2.29, 2.54 A)
&rst
ixpk= 836, nxpk= 20, iat=1107, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1109,1110,
&end
#
# 72 GLY HN 72 GLY HA- 3.50 (# 837:20 Unique 2.29, 2.54 A)
&rst
ixpk= 837, nxpk= 20, iat=1107, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1109,1110,
&end
#
# 0 AMB 20-2:838 0 AMB 20-1:838 4.50 (# 838:20 Double Ambig)
&rst
ixpk= 838, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 125, 157, 158,
igr2= 143, 144, 143, 144,
&end
#
# 129 GLY HN 129 GLY HA+ 5.50 (# 839:20 Unique 2.30, 2.71 A)
&rst
ixpk= 839, nxpk= 20, iat=2007, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2009,2010,
&end
#
# 130 LEU HN 129 GLY HA+ 3.50 (# 840:20 Unique 2.14, 2.87 A)
&rst
ixpk= 840, nxpk= 20, iat=2014, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2009,2010,
&end
#
# 129 GLY HN 129 GLY HA- 4.50 (# 841:20 Unique 2.30, 2.71 A)
&rst
ixpk= 841, nxpk= 20, iat=2007, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2009,2010,
&end
#
# 130 LEU HN 129 GLY HA- 2.80 (# 842:20 Unique 2.14, 2.87 A)
&rst
ixpk= 842, nxpk= 20, iat=2014, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2009,2010,
&end
#
# 118 GLY HN 118 GLY HA- 4.50 (# 843:20 Unique 2.36, 2.66 A)
&rst
ixpk= 843, nxpk= 20, iat=1841, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1843,1844,
&end
#
# 119 VAL HN 118 GLY HA- 3.50 (# 844:20 Unique 2.14, 2.71 A)
&rst
ixpk= 844, nxpk= 20, iat=1848, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1843,1844,
&end
#
# 159 ARG HE 159 ARG HD+ 4.50 (# 845:20 Unique 2.29, 2.64 A)
&rst
ixpk= 845, nxpk= 20, iat=2460, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2457,2458,
&end
#
# 110 PHE HN 110 PHE HB- 4.50 (# 846:20 Unique 2.08, 2.74 A)
&rst
ixpk= 846, nxpk= 20, iat=1695, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1699,1700,
&end
#
# 21 ARG HE 21 ARG HD+ 5.50 (# 847:20 Unique 2.31, 2.69 A)
&rst
ixpk= 847, nxpk= 20, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 322, 323,
&end
#
# 110 PHE HD 110 PHE HB- 4.50 (# 848:20 Unique 2.28, 3.05 A)
&rst
ixpk= 848, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1703,1711,
igr2=1699,1700,
&end
#
# 110 PHE HN 110 PHE HB- 4.50 (# 849:20 Unique 2.08, 2.74 A)
&rst
ixpk= 849, nxpk= 20, iat=1695, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1699,1700,
&end
#
# 0 AMB 20-2:850 0 AMB 20-1:850 2.80 (# 850:20 Double Ambig)
&rst
ixpk= 850, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1639,1659,
igr2=1643,1644,1643,1644,
&end
#
# 106 PHE HD 106 PHE HB+ 4.50 (# 851:20 Unique 2.31, 3.06 A)
&rst
ixpk= 851, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1647,1655,
igr2=1643,1644,
&end
#
# 0 AMB 20-2:852 106 PHE HB- 2.80 (# 852:20 Single Ambig)
&rst
ixpk= 852, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1639,1659,
igr2=1643,1644,
&end
#
# 106 PHE HD 106 PHE HB- 4.50 (# 853:20 Unique 2.31, 3.06 A)
&rst
ixpk= 853, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1647,1655,
igr2=1643,1644,
&end
#
# 10 ASN HD2- 10 ASN HB+ 3.50 (# 854:20 Unique 2.14, 3.35 A)
&rst
ixpk= 854, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 157, 158,
igr2= 152, 153,
&end
#
# 35 TYR HD 35 TYR HB+ 3.50 (# 855:20 Unique 2.39, 3.05 A)
&rst
ixpk= 855, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 564, 573,
igr2= 560, 561,
&end
#
# 14 THR HG1 127 HIS HB- 4.50 (# 856:20 Unique 2.07, 3.97 A)
&rst
ixpk= 856, nxpk= 20, iat= 229, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1975,1976,
&end
#
# 32 LEU HA 33 PRO HD+ 3.50 (# 858:20 Unique 2.31, 2.38 A)
&rst
ixpk= 858, nxpk= 20, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 531, 532,
&end
#
# 110 PHE HD 111 PRO HD+ 4.50 (# 859:20 Unique 2.86, 4.23 A)
&rst
ixpk= 859, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1703,1711,
igr2=1716,1717,
&end
#
# 110 PHE HA 111 PRO HD+ 3.50 (# 860:20 Unique 1.98, 2.18 A)
&rst
ixpk= 860, nxpk= 20, iat=1697, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1716,1717,
&end
#
# 39 LEU HN 39 LEU HB+ 4.50 (# 861:20 Unique 2.43, 2.68 A)
&rst
ixpk= 861, nxpk= 20, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 631, 632,
&end
#
# 6 LEU HN 6 LEU HB+ 4.50 (# 864:20 Unique 2.08, 2.77 A)
&rst
ixpk= 864, nxpk= 20, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 103, 104,
&end
#
# 0 AMB 20-2:865 0 AMB 20-1:865 4.50 (# 865:20 Double Ambig)
&rst
ixpk= 865, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 926, 101,
igr2= 103, 104, 103, 104,
&end
#
# 114 LEU HN 114 LEU HB+ 4.50 (# 866:20 Unique 2.24, 2.84 A)
&rst
ixpk= 866, nxpk= 20, iat=1773, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1777,1778,
&end
#
# 79 ASP HA 114 LEU HB+ 4.50 (# 867:20 Unique 2.88, 3.60 A)
&rst
ixpk= 867, nxpk= 20, iat=1226, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1777,1778,
&end
#
# 114 LEU HA 114 LEU HB- 4.50 (# 868:20 Unique 2.23, 2.60 A)
&rst
ixpk= 868, nxpk= 20, iat=1775, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1777,1778,
&end
#
# 79 ASP HA 114 LEU HB- 4.50 (# 869:20 Unique 2.88, 3.60 A)
&rst
ixpk= 869, nxpk= 20, iat=1226, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1777,1778,
&end
#
# 6 LEU HA 6 LEU HB- 3.50 (# 870:20 Unique 2.68, 2.83 A)
&rst
ixpk= 870, nxpk= 20, iat= 101, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 103, 104,
&end
#
# 116 LEU HN 116 LEU HB+ 5.50 (# 871:20 Unique 2.40, 3.04 A)
&rst
ixpk= 871, nxpk= 20, iat=1806, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1810,1811,
&end
#
# 116 LEU HA 116 LEU HB- 5.50 (# 872:20 Unique 2.35, 2.69 A)
&rst
ixpk= 872, nxpk= 20, iat=1808, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1810,1811,
&end
#
# 77 LEU HA 77 LEU HB- 4.50 (# 873:20 Unique 2.70, 2.84 A)
&rst
ixpk= 873, nxpk= 20, iat=1183, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1185,1186,
&end
#
# 58 LEU HA 58 LEU HB- 4.50 (# 874:20 Unique 2.39, 2.74 A)
&rst
ixpk= 874, nxpk= 20, iat= 888, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 890, 891,
&end
#
# 62 ASP HA 62 ASP HB+ 4.50 (# 875:20 Unique 2.24, 2.64 A)
&rst
ixpk= 875, nxpk= 20, iat= 955, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 957, 958,
&end
#
# 130 LEU HN 130 LEU HB+ 5.50 (# 876:20 Unique 2.41, 3.12 A)
&rst
ixpk= 876, nxpk= 20, iat=2014, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2018,2019,
&end
#
# 56 ASP HA 56 ASP HB+ 3.50 (# 877:20 Unique 2.37, 2.79 A)
&rst
ixpk= 877, nxpk= 20, iat= 859, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 861, 862,
&end
#
# 56 ASP HA 56 ASP HB- 4.50 (# 878:20 Unique 2.37, 2.79 A)
&rst
ixpk= 878, nxpk= 20, iat= 859, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 861, 862,
&end
#
# 56 ASP HN 56 ASP HB+ 4.50 (# 879:20 Unique 2.12, 2.75 A)
&rst
ixpk= 879, nxpk= 20, iat= 857, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 861, 862,
&end
#
# 56 ASP HN 56 ASP HB- 4.50 (# 880:20 Unique 2.12, 2.75 A)
&rst
ixpk= 880, nxpk= 20, iat= 857, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 861, 862,
&end
#
# 48 LEU HA 48 LEU HB+ 4.50 (# 881:20 Unique 2.35, 2.70 A)
&rst
ixpk= 881, nxpk= 20, iat= 737, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 739, 740,
&end
#
# 48 LEU HN 48 LEU HB+ 4.50 (# 882:20 Unique 2.37, 3.12 A)
&rst
ixpk= 882, nxpk= 20, iat= 735, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 739, 740,
&end
#
# 48 LEU HA 48 LEU HB+ 5.50 (# 883:20 Unique 2.35, 2.70 A)
&rst
ixpk= 883, nxpk= 20, iat= 737, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 739, 740,
&end
#
# 48 LEU HN 48 LEU HB- 4.50 (# 884:20 Unique 2.37, 3.12 A)
&rst
ixpk= 884, nxpk= 20, iat= 735, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 739, 740,
&end
#
# 48 LEU HA 48 LEU HB- 4.50 (# 885:20 Unique 2.35, 2.70 A)
&rst
ixpk= 885, nxpk= 20, iat= 737, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 739, 740,
&end
#
# 159 ARG HA 159 ARG HD+ 5.50 (# 886:20 Unique 2.52, 3.56 A)
&rst
ixpk= 886, nxpk= 20, iat=2449, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2457,2458,
&end
#
# 0 AMB 20-2:887 0 AMB 20-1:887 5.50 (# 887:20 Double Ambig)
&rst
ixpk= 887, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1703,1711,1647,1655,
igr2=1625,1626,1625,1626,1625,1626,
&end
#
# 0 AMB 20-2:888 0 AMB 20-1:888 4.50 (# 888:20 Double Ambig)
&rst
ixpk= 888, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1617,1558,1238,
igr2=1625,1626,1625,1626,1625,1626,1625,1626,
&end
#
# 50 GLY HN 49 LEU HB+ 5.50 (# 889:20 Unique 1.98, 2.78 A)
&rst
ixpk= 889, nxpk= 20, iat= 773, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 758, 759,
&end
#
# 49 LEU HN 49 LEU HB+ 3.50 (# 890:20 Unique 2.07, 2.58 A)
&rst
ixpk= 890, nxpk= 20, iat= 754, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 758, 759,
&end
#
# 49 LEU HA 49 LEU HB+ 4.50 (# 891:20 Unique 2.32, 2.79 A)
&rst
ixpk= 891, nxpk= 20, iat= 756, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 758, 759,
&end
#
# 49 LEU HN 49 LEU HB- 3.50 (# 892:20 Unique 2.07, 2.58 A)
&rst
ixpk= 892, nxpk= 20, iat= 754, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 758, 759,
&end
#
# 50 GLY HN 49 LEU HB- 4.50 (# 893:20 Unique 1.98, 2.78 A)
&rst
ixpk= 893, nxpk= 20, iat= 773, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 758, 759,
&end
#
# 49 LEU HA 49 LEU HB- 4.50 (# 894:20 Unique 2.32, 2.79 A)
&rst
ixpk= 894, nxpk= 20, iat= 756, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 758, 759,
&end
#
# 124 LEU HA 124 LEU HB+ 3.50 (# 895:20 Unique 2.51, 2.79 A)
&rst
ixpk= 895, nxpk= 20, iat=1925, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1927,1928,
&end
#
# 124 LEU HN 124 LEU HB+ 5.50 (# 896:20 Unique 2.20, 3.32 A)
&rst
ixpk= 896, nxpk= 20, iat=1923, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1927,1928,
&end
#
# 32 LEU HN 32 LEU HB+ 4.50 (# 897:20 Unique 2.41, 3.01 A)
&rst
ixpk= 897, nxpk= 20, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 515, 516,
&end
#
# 32 LEU HN 32 LEU HB+ 4.50 (# 898:20 Unique 2.41, 3.01 A)
&rst
ixpk= 898, nxpk= 20, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 515, 516,
&end
#
# 32 LEU HA 32 LEU HB+ 4.50 (# 899:20 Unique 2.47, 2.75 A)
&rst
ixpk= 899, nxpk= 20, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 515, 516,
&end
#
# 124 LEU HA 124 LEU HB- 4.50 (# 900:20 Unique 2.51, 2.79 A)
&rst
ixpk= 900, nxpk= 20, iat=1925, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1927,1928,
&end
#
# 32 LEU HA 32 LEU HB- 4.50 (# 901:20 Unique 2.47, 2.75 A)
&rst
ixpk= 901, nxpk= 20, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 515, 516,
&end
#
# 67 LYS HA 68 LYS HE+ 5.50 (# 902:20 Unique 1.98, 3.22 A)
&rst
ixpk= 902, nxpk= 20, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1056,1057,
&end
#
# 55 ARG HA 55 ARG HD- 4.50 (# 903:20 Unique 1.96, 3.69 A)
&rst
ixpk= 903, nxpk= 20, iat= 835, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 843, 844,
&end
#
# 67 LYS HA 67 LYS HE+ 4.50 (# 904:20 Unique 3.56, 4.91 A)
&rst
ixpk= 904, nxpk= 20, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1034,1035,
&end
#
# 30 TYR HN 30 TYR HB+ 5.50 (# 905:20 Unique 2.51, 3.13 A)
&rst
ixpk= 905, nxpk= 20, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 475, 476,
&end
#
# 30 TYR HD 30 TYR HB+ 4.50 (# 906:20 Unique 2.31, 3.05 A)
&rst
ixpk= 906, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 479, 488,
igr2= 475, 476,
&end
#
# 30 TYR HN 30 TYR HB+ 4.50 (# 907:20 Unique 2.51, 3.13 A)
&rst
ixpk= 907, nxpk= 20, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 475, 476,
&end
#
# 30 TYR HD 30 TYR HB- 4.50 (# 908:20 Unique 2.31, 3.05 A)
&rst
ixpk= 908, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 479, 488,
igr2= 475, 476,
&end
#
# 30 TYR HA 30 TYR HB- 4.50 (# 909:20 Unique 2.43, 2.74 A)
&rst
ixpk= 909, nxpk= 20, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 475, 476,
&end
#
# 31 ILE HN 30 TYR HB- 5.50 (# 910:20 Unique 2.67, 3.50 A)
&rst
ixpk= 910, nxpk= 20, iat= 492, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 475, 476,
&end
#
# 51 ASP HN 51 ASP HB+ 3.50 (# 911:20 Unique 2.53, 3.13 A)
&rst
ixpk= 911, nxpk= 20, iat= 780, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 784, 785,
&end
#
# 0 AMB 20-2:912 0 AMB 20-1:912 3.50 (# 912:20 Double Ambig)
&rst
ixpk= 912, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 737, 782,
igr2= 784, 785, 784, 785,
&end
#
# 52 MET HN 51 ASP HB- 4.50 (# 913:20 Unique 2.17, 3.53 A)
&rst
ixpk= 913, nxpk= 20, iat= 792, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 784, 785,
&end
#
# 51 ASP HN 51 ASP HB- 3.50 (# 914:20 Unique 2.53, 3.13 A)
&rst
ixpk= 914, nxpk= 20, iat= 780, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 784, 785,
&end
#
# 0 AMB 20-2:915 51 ASP HB- 3.50 (# 915:20 Single Ambig)
&rst
ixpk= 915, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 737, 782,
igr2= 784, 785,
&end
#
# 23 VAL HA 26 LEU HB+ 5.50 (# 917:20 Unique 2.36, 2.93 A)
&rst
ixpk= 917, nxpk= 20, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 400, 401,
&end
#
# 26 LEU HN 26 LEU HB+ 4.50 (# 918:20 Unique 2.14, 2.53 A)
&rst
ixpk= 918, nxpk= 20, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 400, 401,
&end
#
# 27 GLU HN 26 LEU HB+ 4.50 (# 919:20 Unique 2.33, 3.09 A)
&rst
ixpk= 919, nxpk= 20, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 400, 401,
&end
#
# 26 LEU HA 26 LEU HB+ 4.50 (# 920:20 Unique 2.27, 2.76 A)
&rst
ixpk= 920, nxpk= 20, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 400, 401,
&end
#
# 23 VAL HA 26 LEU HB+ 4.50 (# 921:20 Unique 2.36, 2.93 A)
&rst
ixpk= 921, nxpk= 20, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 400, 401,
&end
#
# 27 GLU HN 26 LEU HB+ 5.50 (# 922:20 Unique 2.33, 3.09 A)
&rst
ixpk= 922, nxpk= 20, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 400, 401,
&end
#
# 26 LEU HN 26 LEU HB- 4.50 (# 923:20 Unique 2.14, 2.53 A)
&rst
ixpk= 923, nxpk= 20, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 400, 401,
&end
#
# 25 ALA HN 26 LEU HB- 5.50 (# 924:20 Unique 4.52, 4.93 A)
&rst
ixpk= 924, nxpk= 20, iat= 386, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 400, 401,
&end
#
# 23 VAL HA 26 LEU HB- 4.50 (# 925:20 Unique 2.36, 2.93 A)
&rst
ixpk= 925, nxpk= 20, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 400, 401,
&end
#
# 15 ASP HA 15 ASP HB- 4.50 (# 926:20 Unique 2.24, 2.65 A)
&rst
ixpk= 926, nxpk= 20, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 237, 238,
&end
#
# 15 ASP HA 15 ASP HB- 4.50 (# 927:20 Unique 2.24, 2.65 A)
&rst
ixpk= 927, nxpk= 20, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 237, 238,
&end
#
# 0 AMB 20-2:928 0 AMB 20-1:928 4.50 (# 928:20 Double Ambig)
&rst
ixpk= 928, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1065,1074,1075,
igr2=1069,1070,1069,1070,
&end
#
# 0 AMB 20-2:929 0 AMB 20-1:929 5.50 (# 929:20 Double Ambig)
&rst
ixpk= 929, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1118,1083,
igr2=1069,1070,1069,1070,
&end
#
# 154 VAL HN 113 LYS HE- 5.50 (# 930:20 Unique 7.83, 8.77 A)
&rst
ixpk= 930, nxpk= 20, iat=2373, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1764,1765,
&end
#
# 0 AMB 20-2:931 69 ASN HB- 4.50 (# 931:20 Single Ambig)
&rst
ixpk= 931, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1065,1074,1075,
igr2=1069,1070,
&end
#
# 69 ASN HA 69 ASN HB- 3.50 (# 932:20 Unique 2.48, 2.80 A)
&rst
ixpk= 932, nxpk= 20, iat=1067, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1069,1070,
&end
#
# 143 GLU HN 0 AMB 20-1:933 2.80 (# 933:20 Single Ambig)
&rst
ixpk= 933, nxpk= 20, iat=2210, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=2195,2196,2195,2196,
&end
#
# 0 AMB 20-2:934 3 ILE HB 3.50 (# 934:20 Single Ambig)
&rst
ixpk= 934, nxpk= 20, iat= -1, 49, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 45, 593,
&end
#
# 139 GLU HA 0 AMB 20-1:935 2.80 (# 935:20 Single Ambig)
&rst
ixpk= 935, nxpk= 20, iat=2154, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=2195,2196,2195,2196,
&end
#
# 142 LEU HA 0 AMB 20-1:936 2.80 (# 936:20 Single Ambig)
&rst
ixpk= 936, nxpk= 20, iat=2193, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=2195,2196,2195,2196,
&end
#
# 142 LEU HN 0 AMB 20-1:937 2.80 (# 937:20 Single Ambig)
&rst
ixpk= 937, nxpk= 20, iat=2191, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=2195,2196,2195,2196,
&end
#
# 95 LEU HA 95 LEU HB+ 3.50 (# 938:20 Unique 2.23, 2.80 A)
&rst
ixpk= 938, nxpk= 20, iat=1475, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1477,1478,
&end
#
# 95 LEU HN 95 LEU HB+ 3.50 (# 939:20 Unique 2.05, 2.61 A)
&rst
ixpk= 939, nxpk= 20, iat=1473, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1477,1478,
&end
#
# 95 LEU HN 95 LEU HB- 3.50 (# 940:20 Unique 2.05, 2.61 A)
&rst
ixpk= 940, nxpk= 20, iat=1473, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1477,1478,
&end
#
# 95 LEU HA 95 LEU HB- 4.50 (# 941:20 Unique 2.23, 2.80 A)
&rst
ixpk= 941, nxpk= 20, iat=1475, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1477,1478,
&end
#
# 60 ILE HN 60 ILE HB 4.50 (# 942:20 Unique 2.43, 2.48 A)
&rst
ixpk= 942, nxpk= 20, iat= 924, 928, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 116 LEU HA 60 ILE HB 4.50 (# 943:20 Unique 2.18, 2.52 A)
&rst
ixpk= 943, nxpk= 20, iat=1808, 928, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 97 LEU HN 97 LEU HB- 4.50 (# 944:20 Unique 2.05, 2.62 A)
&rst
ixpk= 944, nxpk= 20, iat=1499, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1503,1504,
&end
#
# 97 LEU HA 97 LEU HB+ 4.50 (# 946:20 Unique 2.60, 2.83 A)
&rst
ixpk= 946, nxpk= 20, iat=1501, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1503,1504,
&end
#
# 0 AMB 20-2:947 0 AMB 20-1:947 2.80 (# 947:20 Double Ambig)
&rst
ixpk= 947, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1306,1325,
igr2=1310,1311,1310,1311,
&end
#
# 0 AMB 20-2:948 85 LEU HB- 3.50 (# 948:20 Single Ambig)
&rst
ixpk= 948, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1306,1325,
igr2=1310,1311,
&end
#
# 0 AMB 20-2:949 0 AMB 20-1:949 3.50 (# 949:20 Double Ambig)
&rst
ixpk= 949, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1308, 698, 699,
igr2=1310,1311,1503,1504,
&end
#
# 110 PHE HD 110 PHE HB+ 4.50 (# 950:20 Unique 2.28, 3.05 A)
&rst
ixpk= 950, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1703,1711,
igr2=1699,1700,
&end
#
# 0 AMB 20-2:951 0 AMB 20-1:951 4.50 (# 951:20 Double Ambig)
&rst
ixpk= 951, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1697,1675,1676,
igr2=1699,1700,1699,1700,
&end
#
# 161 ASP HA 161 ASP HB+ 3.50 (# 952:20 Unique 2.37, 2.73 A)
&rst
ixpk= 952, nxpk= 20, iat=2484, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2486,2487,
&end
#
# 161 ASP HA 161 ASP HB- 3.50 (# 953:20 Unique 2.37, 2.73 A)
&rst
ixpk= 953, nxpk= 20, iat=2484, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2486,2487,
&end
#
# 12 LEU HA 0 AMB 20-1:954 4.50 (# 954:20 Single Ambig)
&rst
ixpk= 954, nxpk= 20, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 185, 186, 185, 186,
&end
#
# 12 LEU HN 0 AMB 20-1:955 3.50 (# 955:20 Single Ambig)
&rst
ixpk= 955, nxpk= 20, iat= 181, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 185, 186, 185, 186,
&end
#
# 85 LEU HA 85 LEU HB+ 3.50 (# 957:20 Unique 2.32, 2.68 A)
&rst
ixpk= 957, nxpk= 20, iat=1308, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1310,1311,
&end
#
# 0 AMB 20-2:958 0 AMB 20-1:958 4.50 (# 958:20 Double Ambig)
&rst
ixpk= 958, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1697,1675,1676,
igr2=1699,1700,1699,1700,
&end
#
# 110 PHE HN 110 PHE HB+ 4.50 (# 959:20 Unique 2.08, 2.74 A)
&rst
ixpk= 959, nxpk= 20, iat=1695, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1699,1700,
&end
#
# 16 GLU HA 0 AMB 20-1:960 3.50 (# 960:20 Single Ambig)
&rst
ixpk= 960, nxpk= 20, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 252, 253, 252, 253,
&end
#
# 0 AMB 20-2:961 0 AMB 20-1:961 4.50 (# 961:20 Double Ambig)
&rst
ixpk= 961, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1556,1575,
igr2=1560,1561,1560,1561,
&end
#
# 101 LEU HA 101 LEU HB+ 4.50 (# 962:20 Unique 2.68, 2.82 A)
&rst
ixpk= 962, nxpk= 20, iat=1558, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1560,1561,
&end
#
# 0 AMB 20-2:963 0 AMB 20-1:963 4.50 (# 963:20 Double Ambig)
&rst
ixpk= 963, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1556,1575,
igr2=1560,1561,1560,1561,
&end
#
# 143 GLU HA 146 LEU HB+ 5.50 (# 964:20 Unique 2.86, 3.78 A)
&rst
ixpk= 964, nxpk= 20, iat=2212, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2262,2263,
&end
#
# 146 LEU HA 146 LEU HB+ 4.50 (# 965:20 Unique 2.30, 2.71 A)
&rst
ixpk= 965, nxpk= 20, iat=2260, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2262,2263,
&end
#
# 146 LEU HN 146 LEU HB+ 4.50 (# 966:20 Unique 2.52, 3.10 A)
&rst
ixpk= 966, nxpk= 20, iat=2258, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2262,2263,
&end
#
# 147 ALA HN 146 LEU HB+ 4.50 (# 967:20 Unique 2.51, 3.16 A)
&rst
ixpk= 967, nxpk= 20, iat=2277, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2262,2263,
&end
#
# 143 GLU HA 146 LEU HB+ 4.50 (# 968:20 Unique 2.86, 3.78 A)
&rst
ixpk= 968, nxpk= 20, iat=2212, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2262,2263,
&end
#
# 0 AMB 20-2:969 101 LEU HB- 4.50 (# 969:20 Single Ambig)
&rst
ixpk= 969, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1556,1575,
igr2=1560,1561,
&end
#
# 146 LEU HN 146 LEU HB- 4.50 (# 970:20 Unique 2.52, 3.10 A)
&rst
ixpk= 970, nxpk= 20, iat=2258, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2262,2263,
&end
#
# 146 LEU HA 146 LEU HB- 4.50 (# 971:20 Unique 2.30, 2.71 A)
&rst
ixpk= 971, nxpk= 20, iat=2260, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2262,2263,
&end
#
# 0 AMB 20-2:972 0 AMB 20-1:972 4.50 (# 972:20 Double Ambig)
&rst
ixpk= 972, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 245, 965,
igr2= 252, 253, 252, 253,
&end
#
# 10 ASN HD2- 0 AMB 20-1:973 4.50 (# 973:20 Single Ambig)
&rst
ixpk= 973, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 157, 158,
igr2= 252, 253, 252, 253,
&end
#
# 149 LEU HN 149 LEU HB+ 4.50 (# 974:20 Unique 2.17, 2.88 A)
&rst
ixpk= 974, nxpk= 20, iat=2297, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2301,2302,
&end
#
# 0 AMB 20-2:975 0 AMB 20-1:975 3.50 (# 975:20 Double Ambig)
&rst
ixpk= 975, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=2299,2260,
igr2=2301,2302,2301,2302,
&end
#
# 157 ILE HN 157 ILE HB 2.80 (# 976:20 Unique 2.50, 2.63 A)
&rst
ixpk= 976, nxpk= 20, iat=2414,2418, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 20-2:977 13 LEU HB- 4.50 (# 977:20 Single Ambig)
&rst
ixpk= 977, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 202,1925,
igr2= 204, 205,
&end
#
# 0 AMB 20-2:978 149 LEU HB- 4.50 (# 978:20 Single Ambig)
&rst
ixpk= 978, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2299,2260,
igr2=2301,2302,
&end
#
# 79 ASP HA 79 ASP HB+ 3.50 (# 979:20 Unique 2.23, 2.59 A)
&rst
ixpk= 979, nxpk= 20, iat=1226, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1228,1229,
&end
#
# 80 GLU HN 79 ASP HB+ 2.80 (# 980:20 Unique 2.89, 3.54 A)
&rst
ixpk= 980, nxpk= 20, iat=1236, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1228,1229,
&end
#
# 80 GLU HN 79 ASP HB- 2.80 (# 981:20 Unique 2.89, 3.54 A)
&rst
ixpk= 981, nxpk= 20, iat=1236, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1228,1229,
&end
#
# 34 ASP HA 34 ASP HB+ 2.80 (# 982:20 Unique 2.35, 2.78 A)
&rst
ixpk= 982, nxpk= 20, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 548, 549,
&end
#
# 34 ASP HA 34 ASP HB- 2.80 (# 983:20 Unique 2.35, 2.78 A)
&rst
ixpk= 983, nxpk= 20, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 548, 549,
&end
#
# 34 ASP HN 34 ASP HB- 3.50 (# 984:20 Unique 2.11, 2.92 A)
&rst
ixpk= 984, nxpk= 20, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 548, 549,
&end
#
# 96 GLY HA- 99 ASP HB+ 4.50 (# 985:20 Unique 2.70, 4.91 A)
&rst
ixpk= 985, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1494,1495,
igr2=1532,1533,
&end
#
# 99 ASP HN 99 ASP HB+ 2.80 (# 986:20 Unique 2.08, 2.82 A)
&rst
ixpk= 986, nxpk= 20, iat=1528, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1532,1533,
&end
#
# 99 ASP HA 99 ASP HB+ 4.50 (# 987:20 Unique 2.48, 2.82 A)
&rst
ixpk= 987, nxpk= 20, iat=1530, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1532,1533,
&end
#
# 88 ASN HN 0 AMB 20-1:988 4.50 (# 988:20 Single Ambig)
&rst
ixpk= 988, nxpk= 20, iat=1359, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1363,1364,1363,1364,
&end
#
# 88 ASN HD2- 0 AMB 20-1:989 4.50 (# 989:20 Single Ambig)
&rst
ixpk= 989, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1368,1369,
igr2=1363,1364,1363,1364,
&end
#
# 88 ASN HA 0 AMB 20-1:990 2.80 (# 990:20 Single Ambig)
&rst
ixpk= 990, nxpk= 20, iat=1361, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1363,1364,1363,1364,
&end
#
# 99 ASP HA 99 ASP HB- 2.80 (# 993:20 Unique 2.48, 2.82 A)
&rst
ixpk= 993, nxpk= 20, iat=1530, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1532,1533,
&end
#
# 99 ASP HN 99 ASP HB- 3.50 (# 994:20 Unique 2.08, 2.82 A)
&rst
ixpk= 994, nxpk= 20, iat=1528, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1532,1533,
&end
#
# 38 ILE HN 38 ILE HB 3.50 (# 995:20 Unique 3.44, 3.57 A)
&rst
ixpk= 995, nxpk= 20, iat= 608, 612, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 38 ILE HA 38 ILE HB 4.50 (# 996:20 Unique 2.57, 2.64 A)
&rst
ixpk= 996, nxpk= 20, iat= 610, 612, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 5 VAL HA 59 ILE HB 4.50 (# 997:20 Unique 2.49, 2.74 A)
&rst
ixpk= 997, nxpk= 20, iat= 85, 909, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 59 ILE HN 59 ILE HB 4.50 (# 998:20 Unique 2.78, 2.96 A)
&rst
ixpk= 998, nxpk= 20, iat= 905, 909, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 40 ASP HN 40 ASP HB+ 2.80 (# 999:20 Unique 2.34, 3.25 A)
&rst
ixpk= 999, nxpk= 20, iat= 646, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 650, 651,
&end
#
# 40 ASP HN 40 ASP HB- 3.50 (# 1000:20 Unique 2.34, 3.25 A)
&rst
ixpk= 1000, nxpk= 20, iat= 646, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 650, 651,
&end
#
# 40 ASP HA 40 ASP HB- 3.50 (# 1001:20 Unique 2.26, 2.51 A)
&rst
ixpk= 1001, nxpk= 20, iat= 648, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 650, 651,
&end
#
# 64 ILE HA 64 ILE HB 4.50 (# 1002:20 Unique 3.00, 3.02 A)
&rst
ixpk= 1002, nxpk= 20, iat= 977, 979, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 64 ILE HN 64 ILE HB 4.50 (# 1003:20 Unique 2.32, 2.50 A)
&rst
ixpk= 1003, nxpk= 20, iat= 975, 979, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 10 ASN HD2- 10 ASN HB- 3.50 (# 1004:20 Unique 2.14, 3.35 A)
&rst
ixpk= 1004, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 157, 158,
igr2= 152, 153,
&end
#
# 0 AMB 20-2:1005 10 ASN HB- 4.50 (# 1005:20 Single Ambig)
&rst
ixpk= 1005, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 150, 676,
igr2= 152, 153,
&end
#
# 91 SER HN 90 ILE HB 4.50 (# 1006:20 Unique 1.94, 2.57 A)
&rst
ixpk= 1006, nxpk= 20, iat=1414,1399, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 90 ILE HN 90 ILE HB 4.50 (# 1007:20 Unique 2.33, 2.81 A)
&rst
ixpk= 1007, nxpk= 20, iat=1395,1399, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 90 ILE HA 90 ILE HB 3.50 (# 1008:20 Unique 2.92, 3.01 A)
&rst
ixpk= 1008, nxpk= 20, iat=1397,1399, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 31 ILE HA 31 ILE HB 4.50 (# 1009:20 Unique 3.02, 3.02 A)
&rst
ixpk= 1009, nxpk= 20, iat= 494, 496, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 ILE HN 31 ILE HB 3.50 (# 1010:20 Unique 2.53, 2.57 A)
&rst
ixpk= 1010, nxpk= 20, iat= 492, 496, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 157 ILE HN 31 ILE HB 4.50 (# 1011:20 Unique 4.33, 4.53 A)
&rst
ixpk= 1011, nxpk= 20, iat=2414, 496, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 ILE HA 31 ILE HB 5.50 (# 1012:20 Unique 3.02, 3.02 A)
&rst
ixpk= 1012, nxpk= 20, iat= 494, 496, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 86 PHE HA 86 PHE HB- 4.50 (# 1013:20 Unique 2.42, 2.74 A)
&rst
ixpk= 1013, nxpk= 20, iat=1327, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1329,1330,
&end
#
# 86 PHE HN 86 PHE HB- 4.50 (# 1014:20 Unique 2.53, 3.11 A)
&rst
ixpk= 1014, nxpk= 20, iat=1325, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1329,1330,
&end
#
# 86 PHE HD 86 PHE HB- 4.50 (# 1015:20 Unique 2.29, 3.06 A)
&rst
ixpk= 1015, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1333,1341,
igr2=1329,1330,
&end
#
# 11 ILE HA 11 ILE HB 2.80 (# 1016:20 Unique 2.37, 2.47 A)
&rst
ixpk= 1016, nxpk= 20, iat= 164, 166, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 76 ILE HA 76 ILE HB 5.50 (# 1017:20 Unique 2.98, 3.00 A)
&rst
ixpk= 1017, nxpk= 20, iat=1164,1166, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 ILE HN 76 ILE HB 2.80 (# 1018:20 Unique 2.38, 2.72 A)
&rst
ixpk= 1018, nxpk= 20, iat=1162,1166, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 122 GLU HA 122 GLU HG+ 3.50 (# 1019:20 Unique 2.45, 3.37 A)
&rst
ixpk= 1019, nxpk= 20, iat=1899, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1904,1905,
&end
#
# 122 GLU HA 122 GLU HG- 4.50 (# 1020:20 Unique 2.45, 3.37 A)
&rst
ixpk= 1020, nxpk= 20, iat=1899, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1904,1905,
&end
#
# 120 ILE HN 120 ILE HB 4.50 (# 1021:20 Unique 2.63, 2.76 A)
&rst
ixpk= 1021, nxpk= 20, iat=1864,1868, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 ILE HN 22 ILE HB 3.50 (# 1022:20 Unique 2.27, 2.52 A)
&rst
ixpk= 1022, nxpk= 20, iat= 336, 340, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 VAL HN 22 ILE HB 4.50 (# 1023:20 Unique 1.85, 2.01 A)
&rst
ixpk= 1023, nxpk= 20, iat= 355, 340, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 72 GLY HN 120 ILE HB 4.50 (# 1024:20 Unique 1.91, 2.20 A)
&rst
ixpk= 1024, nxpk= 20, iat=1107,1868, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 73 THR HN 120 ILE HB 5.50 (# 1025:20 Unique 1.92, 2.07 A)
&rst
ixpk= 1025, nxpk= 20, iat=1114,1868, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 PRO HA 120 ILE HB 3.50 (# 1026:20 Unique 1.96, 2.25 A)
&rst
ixpk= 1026, nxpk= 20, iat=1103,1868, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 73 THR HN 120 ILE HB 5.50 (# 1027:20 Unique 1.92, 2.07 A)
&rst
ixpk= 1027, nxpk= 20, iat=1114,1868, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 ILE HA 18 ILE HB 3.50 (# 1028:20 Unique 2.50, 2.59 A)
&rst
ixpk= 1028, nxpk= 20, iat= 272, 274, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 37 GLU HA 37 GLU HG- 4.50 (# 1029:20 Unique 2.04, 3.13 A)
&rst
ixpk= 1029, nxpk= 20, iat= 595, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 600, 601,
&end
#
# 38 ILE HN 37 GLU HG- 4.50 (# 1030:20 Unique 2.78, 4.57 A)
&rst
ixpk= 1030, nxpk= 20, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 600, 601,
&end
#
# 37 GLU HA 37 GLU HG+ 3.50 (# 1031:20 Unique 2.04, 3.13 A)
&rst
ixpk= 1031, nxpk= 20, iat= 595, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 600, 601,
&end
#
# 38 ILE HN 37 GLU HG+ 4.50 (# 1032:20 Unique 2.78, 4.57 A)
&rst
ixpk= 1032, nxpk= 20, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 600, 601,
&end
#
# 139 GLU HN 138 ILE HB 3.50 (# 1033:20 Unique 2.62, 2.74 A)
&rst
ixpk= 1033, nxpk= 20, iat=2152,2137, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:1034 0 AMB 20-1:1034 2.80 (# 1034:20 Double Ambig)
&rst
ixpk= 1034, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 270,2133,
igr2= 274,2137,
&end
#
# 0 AMB 20-2:1036 128 ILE HB 4.50 (# 1036:20 Single Ambig)
&rst
ixpk= 1036, nxpk= 20, iat= -1,1992, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1990,2009,2010,
&end
#
# 54 ASN HD2+ 54 ASN HB+ 4.50 (# 1037:20 Unique 2.12, 3.33 A)
&rst
ixpk= 1037, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 828, 829,
igr2= 823, 824,
&end
#
# 54 ASN HA 54 ASN HB+ 3.50 (# 1038:20 Unique 2.32, 2.72 A)
&rst
ixpk= 1038, nxpk= 20, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 823, 824,
&end
#
# 54 ASN HD2+ 54 ASN HB- 3.50 (# 1039:20 Unique 2.12, 3.33 A)
&rst
ixpk= 1039, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 828, 829,
igr2= 823, 824,
&end
#
# 54 ASN HD2- 54 ASN HB- 4.50 (# 1040:20 Unique 2.12, 3.33 A)
&rst
ixpk= 1040, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 828, 829,
igr2= 823, 824,
&end
#
# 54 ASN HA 54 ASN HB- 3.50 (# 1041:20 Unique 2.32, 2.72 A)
&rst
ixpk= 1041, nxpk= 20, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 823, 824,
&end
#
# 139 GLU HN 0 AMB 20-1:1042 2.80 (# 1042:20 Single Ambig)
&rst
ixpk= 1042, nxpk= 20, iat=2152, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=2159,2160,2159,2160,
&end
#
# 139 GLU HA 0 AMB 20-1:1043 2.80 (# 1043:20 Single Ambig)
&rst
ixpk= 1043, nxpk= 20, iat=2154, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=2159,2160,2159,2160,
&end
#
# 0 AMB 20-2:1044 0 AMB 20-1:1044 4.50 (# 1044:20 Double Ambig)
&rst
ixpk= 1044, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=2168,2169,2168,2169,
igr2=2159,2160,2159,2160,
&end
#
# 151 GLU HN 151 GLU HG+ 2.80 (# 1045:20 Unique 2.47, 3.15 A)
&rst
ixpk= 1045, nxpk= 20, iat=2340, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2347,2348,
&end
#
# 148 ALA HA 151 GLU HG+ 4.50 (# 1046:20 Unique 2.81, 4.13 A)
&rst
ixpk= 1046, nxpk= 20, iat=2289, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2347,2348,
&end
#
# 0 AMB 20-2:1047 0 AMB 20-1:1047 2.80 (# 1047:20 Double Ambig)
&rst
ixpk= 1047, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=2342,1253,
igr2=2347,2348,1258,1259,
&end
#
# 81 GLU HN 81 GLU HG+ 3.50 (# 1048:20 Unique 2.34, 3.10 A)
&rst
ixpk= 1048, nxpk= 20, iat=1251, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1258,1259,
&end
#
# 24 GLU HN 24 GLU HG+ 3.50 (# 1049:20 Unique 2.21, 2.99 A)
&rst
ixpk= 1049, nxpk= 20, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 378, 379,
&end
#
# 0 AMB 20-2:1050 0 AMB 20-1:1050 2.80 (# 1050:20 Double Ambig)
&rst
ixpk= 1050, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 373, 314,
igr2= 378, 379, 378, 379,
&end
#
# 140 PRO HD- 0 AMB 20-1:1051 4.50 (# 1051:20 Single Ambig)
&rst
ixpk= 1051, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2168,2169,
igr2=2159,2160,2159,2160,
&end
#
# 151 GLU HN 151 GLU HG- 3.50 (# 1052:20 Unique 2.47, 3.15 A)
&rst
ixpk= 1052, nxpk= 20, iat=2340, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2347,2348,
&end
#
# 81 GLU HN 81 GLU HG- 4.50 (# 1053:20 Unique 2.34, 3.10 A)
&rst
ixpk= 1053, nxpk= 20, iat=1251, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1258,1259,
&end
#
# 81 GLU HA 81 GLU HG- 3.50 (# 1054:20 Unique 2.50, 3.43 A)
&rst
ixpk= 1054, nxpk= 20, iat=1253, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1258,1259,
&end
#
# 24 GLU HN 24 GLU HG- 4.50 (# 1055:20 Unique 2.21, 2.99 A)
&rst
ixpk= 1055, nxpk= 20, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 378, 379,
&end
#
# 0 AMB 20-2:1056 24 GLU HG- 2.80 (# 1056:20 Single Ambig)
&rst
ixpk= 1056, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 373, 314,
igr2= 378, 379,
&end
#
# 24 GLU HN 24 GLU HG- 4.50 (# 1057:20 Unique 2.21, 2.99 A)
&rst
ixpk= 1057, nxpk= 20, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 378, 379,
&end
#
# 75 MET HA 75 MET HB+ 3.50 (# 1058:20 Unique 2.73, 2.85 A)
&rst
ixpk= 1058, nxpk= 20, iat=1147, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1149,1150,
&end
#
# 75 MET HN 75 MET HB- 4.50 (# 1059:20 Unique 2.42, 3.01 A)
&rst
ixpk= 1059, nxpk= 20, iat=1145, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1149,1150,
&end
#
# 75 MET HA 75 MET HB- 4.50 (# 1060:20 Unique 2.73, 2.85 A)
&rst
ixpk= 1060, nxpk= 20, iat=1147, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1149,1150,
&end
#
# 47 GLU HN 0 AMB 20-1:1061 3.50 (# 1061:20 Single Ambig)
&rst
ixpk= 1061, nxpk= 20, iat= 720, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 727, 728, 727, 728,
&end
#
# 125 GLU HN 125 GLU HG- 3.50 (# 1062:20 Unique 2.08, 3.15 A)
&rst
ixpk= 1062, nxpk= 20, iat=1942, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1949,1950,
&end
#
# 125 GLU HA 125 GLU HG- 3.50 (# 1063:20 Unique 2.25, 3.07 A)
&rst
ixpk= 1063, nxpk= 20, iat=1944, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1949,1950,
&end
#
# 109 GLU HA 109 GLU HG+ 3.50 (# 1064:20 Unique 2.03, 2.83 A)
&rst
ixpk= 1064, nxpk= 20, iat=1682, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1687,1688,
&end
#
# 109 GLU HN 0 AMB 20-1:1065 3.50 (# 1065:20 Single Ambig)
&rst
ixpk= 1065, nxpk= 20, iat=1680, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1687,1688,1687,1688,
&end
#
# 109 GLU HA 109 GLU HG- 3.50 (# 1066:20 Unique 2.03, 2.83 A)
&rst
ixpk= 1066, nxpk= 20, iat=1682, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1687,1688,
&end
#
# 35 TYR HD 35 TYR HB- 3.50 (# 1067:20 Unique 2.39, 3.05 A)
&rst
ixpk= 1067, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 564, 573,
igr2= 560, 561,
&end
#
# 35 TYR HN 35 TYR HB- 4.50 (# 1068:20 Unique 2.79, 3.19 A)
&rst
ixpk= 1068, nxpk= 20, iat= 556, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 560, 561,
&end
#
# 140 PRO HA 143 GLU HG+ 4.50 (# 1069:20 Unique 3.43, 4.17 A)
&rst
ixpk= 1069, nxpk= 20, iat=2177, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2217,2218,
&end
#
# 143 GLU HN 143 GLU HG+ 3.50 (# 1070:20 Unique 2.10, 3.58 A)
&rst
ixpk= 1070, nxpk= 20, iat=2210, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2217,2218,
&end
#
# 143 GLU HA 143 GLU HG+ 3.50 (# 1071:20 Unique 2.21, 3.31 A)
&rst
ixpk= 1071, nxpk= 20, iat=2212, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2217,2218,
&end
#
# 80 GLU HN 80 GLU HG+ 4.50 (# 1072:20 Unique 2.19, 2.55 A)
&rst
ixpk= 1072, nxpk= 20, iat=1236, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1243,1244,
&end
#
# 0 AMB 20-2:1073 0 AMB 20-1:1073 2.80 (# 1073:20 Double Ambig)
&rst
ixpk= 1073, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 722, 688,
igr2= 727, 728, 727, 728, 727, 728,
&end
#
# 28 GLN HN 0 AMB 20-1:1074 4.50 (# 1074:20 Single Ambig)
&rst
ixpk= 1074, nxpk= 20, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 422, 423, 422, 423,
&end
#
# 125 GLU HN 125 GLU HG+ 3.50 (# 1075:20 Unique 2.08, 3.15 A)
&rst
ixpk= 1075, nxpk= 20, iat=1942, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1949,1950,
&end
#
# 80 GLU HN 80 GLU HG- 4.50 (# 1076:20 Unique 2.19, 2.55 A)
&rst
ixpk= 1076, nxpk= 20, iat=1236, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1243,1244,
&end
#
# 135 GLU HA 135 GLU HG- 3.50 (# 1077:20 Unique 2.44, 2.82 A)
&rst
ixpk= 1077, nxpk= 20, iat=2093, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2098,2099,
&end
#
# 143 GLU HN 143 GLU HG- 3.50 (# 1078:20 Unique 2.10, 3.58 A)
&rst
ixpk= 1078, nxpk= 20, iat=2210, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2217,2218,
&end
#
# 143 GLU HA 143 GLU HG- 3.50 (# 1079:20 Unique 2.21, 3.31 A)
&rst
ixpk= 1079, nxpk= 20, iat=2212, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2217,2218,
&end
#
# 135 GLU HA 135 GLU HG+ 3.50 (# 1080:20 Unique 2.44, 2.82 A)
&rst
ixpk= 1080, nxpk= 20, iat=2093, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2098,2099,
&end
#
# 0 AMB 20-2:1081 0 AMB 20-1:1081 4.50 (# 1081:20 Double Ambig)
&rst
ixpk= 1081, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2091, 833,
igr2=2098,2099,1687,1688,
&end
#
# 74 MET HN 74 MET HB+ 3.50 (# 1082:20 Unique 2.21, 2.67 A)
&rst
ixpk= 1082, nxpk= 20, iat=1128, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1132,1133,
&end
#
# 74 MET HA 74 MET HB+ 4.50 (# 1083:20 Unique 2.28, 2.67 A)
&rst
ixpk= 1083, nxpk= 20, iat=1130, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1132,1133,
&end
#
# 74 MET HA 74 MET HB- 3.50 (# 1084:20 Unique 2.28, 2.67 A)
&rst
ixpk= 1084, nxpk= 20, iat=1130, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1132,1133,
&end
#
# 74 MET HN 74 MET HB- 4.50 (# 1085:20 Unique 2.21, 2.67 A)
&rst
ixpk= 1085, nxpk= 20, iat=1128, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1132,1133,
&end
#
# 0 AMB 20-2:1086 119 VAL HB 4.50 (# 1086:20 Single Ambig)
&rst
ixpk= 1086, nxpk= 20, iat= -1,1852, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1848,1114,
&end
#
# 0 AMB 20-2:1087 0 AMB 20-1:1087 3.50 (# 1087:20 Double Ambig)
&rst
ixpk= 1087, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 415,1981,
igr2= 422, 423, 422, 423,1949,1950,
&end
#
# 119 VAL HA 119 VAL HB 4.50 (# 1088:20 Unique 2.22, 2.22 A)
&rst
ixpk= 1088, nxpk= 20, iat=1850,1852, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 45 GLY HN 8 VAL HB 3.50 (# 1089:20 Unique 3.04, 3.39 A)
&rst
ixpk= 1089, nxpk= 20, iat= 696, 129, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 8 VAL HN 8 VAL HB 4.50 (# 1090:20 Unique 3.69, 3.84 A)
&rst
ixpk= 1090, nxpk= 20, iat= 125, 129, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 8 VAL HA 8 VAL HB 3.50 (# 1091:20 Unique 2.38, 2.46 A)
&rst
ixpk= 1091, nxpk= 20, iat= 127, 129, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 155 GLU HN 155 GLU HG+ 5.50 (# 1092:20 Unique 4.26, 4.41 A)
&rst
ixpk= 1092, nxpk= 20, iat=2389, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2396,2397,
&end
#
# 155 GLU HA 155 GLU HG+ 3.50 (# 1093:20 Unique 2.63, 3.14 A)
&rst
ixpk= 1093, nxpk= 20, iat=2391, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2396,2397,
&end
#
# 0 AMB 20-2:1094 155 GLU HG- 5.50 (# 1094:20 Single Ambig)
&rst
ixpk= 1094, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2404,2414,
igr2=2396,2397,
&end
#
# 155 GLU HA 155 GLU HG- 3.50 (# 1095:20 Unique 2.63, 3.14 A)
&rst
ixpk= 1095, nxpk= 20, iat=2391, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2396,2397,
&end
#
# 155 GLU HN 155 GLU HG- 4.50 (# 1096:20 Unique 4.26, 4.41 A)
&rst
ixpk= 1096, nxpk= 20, iat=2389, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2396,2397,
&end
#
# 113 LYS HN 113 LYS HB+ 4.50 (# 1097:20 Unique 2.62, 3.00 A)
&rst
ixpk= 1097, nxpk= 20, iat=1751, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1755,1756,
&end
#
# 113 LYS HA 113 LYS HB+ 3.50 (# 1098:20 Unique 2.45, 2.82 A)
&rst
ixpk= 1098, nxpk= 20, iat=1753, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1755,1756,
&end
#
# 57 HIS HA 113 LYS HB+ 4.50 (# 1099:20 Unique 2.51, 3.38 A)
&rst
ixpk= 1099, nxpk= 20, iat= 871, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1755,1756,
&end
#
# 113 LYS HA 113 LYS HB- 4.50 (# 1100:20 Unique 2.45, 2.82 A)
&rst
ixpk= 1100, nxpk= 20, iat=1753, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1755,1756,
&end
#
# 57 HIS HA 113 LYS HB- 4.50 (# 1101:20 Unique 2.51, 3.38 A)
&rst
ixpk= 1101, nxpk= 20, iat= 871, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1755,1756,
&end
#
# 52 MET HA 52 MET HB+ 4.50 (# 1102:20 Unique 2.23, 2.62 A)
&rst
ixpk= 1102, nxpk= 20, iat= 794, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 796, 797,
&end
#
# 121 PRO HA 121 PRO HB+ 4.50 (# 1103:20 Unique 2.30, 2.51 A)
&rst
ixpk= 1103, nxpk= 20, iat=1893, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1890,1891,
&end
#
# 0 AMB 20-2:1104 52 MET HB- 4.50 (# 1104:20 Single Ambig)
&rst
ixpk= 1104, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 794, 756,
igr2= 796, 797,
&end
#
# 52 MET HN 52 MET HB- 4.50 (# 1105:20 Unique 2.59, 3.34 A)
&rst
ixpk= 1105, nxpk= 20, iat= 792, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 796, 797,
&end
#
# 121 PRO HA 121 PRO HB+ 5.50 (# 1106:20 Unique 2.30, 2.51 A)
&rst
ixpk= 1106, nxpk= 20, iat=1893, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1890,1891,
&end
#
# 121 PRO HA 121 PRO HB- 4.50 (# 1107:20 Unique 2.30, 2.51 A)
&rst
ixpk= 1107, nxpk= 20, iat=1893, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1890,1891,
&end
#
# 78 ARG HA 78 ARG HB+ 5.50 (# 1108:20 Unique 2.34, 2.75 A)
&rst
ixpk= 1108, nxpk= 20, iat=1202, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1204,1205,
&end
#
# 28 GLN HN 28 GLN HG+ 3.50 (# 1109:20 Unique 2.36, 3.45 A)
&rst
ixpk= 1109, nxpk= 20, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 437, 438,
&end
#
# 28 GLN HE2- 28 GLN HG+ 3.50 (# 1110:20 Unique 2.12, 3.33 A)
&rst
ixpk= 1110, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 442, 443,
igr2= 437, 438,
&end
#
# 28 GLN HE2+ 28 GLN HG+ 5.50 (# 1111:20 Unique 2.12, 3.33 A)
&rst
ixpk= 1111, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 442, 443,
igr2= 437, 438,
&end
#
# 0 AMB 20-2:1112 0 AMB 20-1:1112 3.50 (# 1112:20 Double Ambig)
&rst
ixpk= 1112, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 388, 373,
igr2= 437, 438, 437, 438,
&end
#
# 28 GLN HN 28 GLN HG- 4.50 (# 1113:20 Unique 2.36, 3.45 A)
&rst
ixpk= 1113, nxpk= 20, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 437, 438,
&end
#
# 28 GLN HE2- 28 GLN HG- 4.50 (# 1114:20 Unique 2.12, 3.33 A)
&rst
ixpk= 1114, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 442, 443,
igr2= 437, 438,
&end
#
# 28 GLN HA 28 GLN HG- 3.50 (# 1115:20 Unique 2.58, 3.24 A)
&rst
ixpk= 1115, nxpk= 20, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 437, 438,
&end
#
# 0 AMB 20-2:1116 0 AMB 20-1:1116 4.50 (# 1116:20 Double Ambig)
&rst
ixpk= 1116, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 388, 373,
igr2= 437, 438, 437, 438,
&end
#
# 1 MET HA 1 MET HB- 4.50 (# 1117:20 Unique 2.37, 2.63 A)
&rst
ixpk= 1117, nxpk= 20, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 8, 9,
&end
#
# 144 GLN HN 144 GLN HG+ 4.50 (# 1118:20 Unique 3.68, 4.26 A)
&rst
ixpk= 1118, nxpk= 20, iat=2225, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2232,2233,
&end
#
# 144 GLN HE2- 144 GLN HG+ 4.50 (# 1119:20 Unique 2.14, 3.35 A)
&rst
ixpk= 1119, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2237,2238,
igr2=2232,2233,
&end
#
# 144 GLN HA 144 GLN HG+ 4.50 (# 1120:20 Unique 2.24, 3.31 A)
&rst
ixpk= 1120, nxpk= 20, iat=2227, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2232,2233,
&end
#
# 144 GLN HE2- 144 GLN HG- 4.50 (# 1121:20 Unique 2.14, 3.35 A)
&rst
ixpk= 1121, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2237,2238,
igr2=2232,2233,
&end
#
# 144 GLN HN 144 GLN HG- 4.50 (# 1122:20 Unique 3.68, 4.26 A)
&rst
ixpk= 1122, nxpk= 20, iat=2225, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2232,2233,
&end
#
# 144 GLN HA 144 GLN HG- 4.50 (# 1123:20 Unique 2.24, 3.31 A)
&rst
ixpk= 1123, nxpk= 20, iat=2227, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2232,2233,
&end
#
# 29 ARG HN 29 ARG HB+ 4.50 (# 1124:20 Unique 2.29, 2.95 A)
&rst
ixpk= 1124, nxpk= 20, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 451, 452,
&end
#
# 29 ARG HA 29 ARG HB+ 5.50 (# 1125:20 Unique 2.50, 2.79 A)
&rst
ixpk= 1125, nxpk= 20, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 451, 452,
&end
#
# 29 ARG HN 29 ARG HB- 4.50 (# 1126:20 Unique 2.29, 2.95 A)
&rst
ixpk= 1126, nxpk= 20, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 451, 452,
&end
#
# 29 ARG HA 29 ARG HB- 4.50 (# 1127:20 Unique 2.50, 2.79 A)
&rst
ixpk= 1127, nxpk= 20, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 451, 452,
&end
#
# 34 ASP HN 33 PRO HB+ 4.50 (# 1128:20 Unique 1.86, 2.54 A)
&rst
ixpk= 1128, nxpk= 20, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 537, 538,
&end
#
# 33 PRO HA 33 PRO HB+ 2.80 (# 1129:20 Unique 2.30, 2.51 A)
&rst
ixpk= 1129, nxpk= 20, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 537, 538,
&end
#
# 35 TYR HE 33 PRO HB+ 4.50 (# 1130:20 Unique 2.76, 3.70 A)
&rst
ixpk= 1130, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 566, 571,
igr2= 537, 538,
&end
#
# 67 LYS HA 67 LYS HB+ 3.50 (# 1131:20 Unique 2.33, 2.70 A)
&rst
ixpk= 1131, nxpk= 20, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1025,1026,
&end
#
# 67 LYS HA 67 LYS HB- 4.50 (# 1132:20 Unique 2.33, 2.70 A)
&rst
ixpk= 1132, nxpk= 20, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1025,1026,
&end
#
# 35 TYR HN 33 PRO HB- 5.50 (# 1133:20 Unique 2.61, 3.73 A)
&rst
ixpk= 1133, nxpk= 20, iat= 556, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 537, 538,
&end
#
# 34 ASP HN 33 PRO HB- 5.50 (# 1134:20 Unique 1.86, 2.54 A)
&rst
ixpk= 1134, nxpk= 20, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 537, 538,
&end
#
# 35 TYR HE 33 PRO HB- 4.50 (# 1135:20 Unique 2.76, 3.70 A)
&rst
ixpk= 1135, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 566, 571,
igr2= 537, 538,
&end
#
# 33 PRO HA 33 PRO HB- 4.50 (# 1136:20 Unique 2.30, 2.51 A)
&rst
ixpk= 1136, nxpk= 20, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 537, 538,
&end
#
# 52 MET HA 52 MET HG- 4.50 (# 1137:20 Unique 2.59, 3.19 A)
&rst
ixpk= 1137, nxpk= 20, iat= 794, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 799, 800,
&end
#
# 46 MET HN 46 MET HG+ 4.50 (# 1138:20 Unique 2.42, 3.45 A)
&rst
ixpk= 1138, nxpk= 20, iat= 703, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 710, 711,
&end
#
# 46 MET HA 46 MET HG+ 4.50 (# 1139:20 Unique 2.06, 3.29 A)
&rst
ixpk= 1139, nxpk= 20, iat= 705, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 710, 711,
&end
#
# 46 MET HN 46 MET HG- 4.50 (# 1140:20 Unique 2.42, 3.45 A)
&rst
ixpk= 1140, nxpk= 20, iat= 703, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 710, 711,
&end
#
# 46 MET HA 46 MET HG- 4.50 (# 1141:20 Unique 2.06, 3.29 A)
&rst
ixpk= 1141, nxpk= 20, iat= 705, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 710, 711,
&end
#
# 52 MET HN 52 MET HG+ 4.50 (# 1142:20 Unique 1.82, 2.92 A)
&rst
ixpk= 1142, nxpk= 20, iat= 792, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 799, 800,
&end
#
# 52 MET HA 52 MET HG+ 4.50 (# 1143:20 Unique 2.59, 3.19 A)
&rst
ixpk= 1143, nxpk= 20, iat= 794, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 799, 800,
&end
#
# 154 VAL HN 154 VAL HB 3.50 (# 1144:20 Unique 2.67, 2.82 A)
&rst
ixpk= 1144, nxpk= 20, iat=2373,2377, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:1145 154 VAL HB 4.50 (# 1145:20 Single Ambig)
&rst
ixpk= 1145, nxpk= 20, iat= -1,2377, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2375,2359,2360,
&end
#
# 4 LEU HA 0 AMB 20-1:1146 4.50 (# 1146:20 Single Ambig)
&rst
ixpk= 1146, nxpk= 20, iat= 66, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 597, 598, 597, 598,
&end
#
# 38 ILE HN 0 AMB 20-1:1147 3.50 (# 1147:20 Single Ambig)
&rst
ixpk= 1147, nxpk= 20, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 597, 598, 597, 598,
&end
#
# 37 GLU HN 0 AMB 20-1:1148 2.80 (# 1148:20 Single Ambig)
&rst
ixpk= 1148, nxpk= 20, iat= 593, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 597, 598, 597, 598,
&end
#
# 37 GLU HA 0 AMB 20-1:1149 2.80 (# 1149:20 Single Ambig)
&rst
ixpk= 1149, nxpk= 20, iat= 595, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 597, 598, 597, 598,
&end
#
# 61 ALA HA 117 VAL HB 5.50 (# 1150:20 Unique 2.60, 2.82 A)
&rst
ixpk= 1150, nxpk= 20, iat= 945,1829, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 117 VAL HN 117 VAL HB 3.50 (# 1151:20 Unique 2.30, 2.34 A)
&rst
ixpk= 1151, nxpk= 20, iat=1825,1829, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 61 ALA HA 117 VAL HB 5.50 (# 1152:20 Unique 2.60, 2.82 A)
&rst
ixpk= 1152, nxpk= 20, iat= 945,1829, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 89 LYS HA 89 LYS HB+ 3.50 (# 1153:20 Unique 2.38, 2.78 A)
&rst
ixpk= 1153, nxpk= 20, iat=1375, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1377,1378,
&end
#
# 68 LYS HA 68 LYS HB- 3.50 (# 1154:20 Unique 2.29, 2.59 A)
&rst
ixpk= 1154, nxpk= 20, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1047,1048,
&end
#
# 122 GLU HA 122 GLU HB+ 4.50 (# 1155:20 Unique 2.23, 2.69 A)
&rst
ixpk= 1155, nxpk= 20, iat=1899, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1901,1902,
&end
#
# 92 PRO HD+ 92 PRO HB+ 3.50 (# 1156:20 Unique 2.98, 3.70 A)
&rst
ixpk= 1156, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1426,1427,
igr2=1432,1433,
&end
#
# 134 VAL HN 134 VAL HB 3.50 (# 1157:20 Unique 2.38, 2.52 A)
&rst
ixpk= 1157, nxpk= 20, iat=2075,2079, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 65 VAL HN 65 VAL HB 3.50 (# 1158:20 Unique 2.85, 3.58 A)
&rst
ixpk= 1158, nxpk= 20, iat= 994, 998, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 65 VAL HA 65 VAL HB 3.50 (# 1159:20 Unique 2.35, 2.95 A)
&rst
ixpk= 1159, nxpk= 20, iat= 996, 998, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 111 PRO HA 111 PRO HB+ 2.80 (# 1160:20 Unique 2.30, 2.51 A)
&rst
ixpk= 1160, nxpk= 20, iat=1725, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1722,1723,
&end
#
# 0 AMB 20-2:1161 0 AMB 20-1:1161 2.80 (# 1161:20 Double Ambig)
&rst
ixpk= 1161, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1435,1827,
igr2=1432,1433,1829,
&end
#
# 0 AMB 20-2:1163 0 AMB 20-1:1163 2.80 (# 1163:20 Double Ambig)
&rst
ixpk= 1163, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1435,1375,1827,
igr2=1432,1433,1377,1378,1829,
&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= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 312,1414,
igr2= 300,1377,1378,
&end
#
# 0 AMB 20-2:1165 0 AMB 20-1:1165 4.50 (# 1165:20 Double Ambig)
&rst
ixpk= 1165, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.39, r4= 8.89,
igr1=1109,1110, 314,1884,1885,1475,
igr2=1100,1101, 300,1100,1101,1377,1378,
&end
#
# 20 VAL HN 20 VAL HB 3.50 (# 1166:20 Unique 2.18, 2.23 A)
&rst
ixpk= 1166, nxpk= 20, iat= 296, 300, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:1167 0 AMB 20-1:1167 3.50 (# 1167:20 Double Ambig)
&rst
ixpk= 1167, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1103, 164,
igr2=1100,1101, 300,
&end
#
# 68 LYS HA 68 LYS HB+ 2.80 (# 1169:20 Unique 2.29, 2.59 A)
&rst
ixpk= 1169, nxpk= 20, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1047,1048,
&end
#
# 122 GLU HA 122 GLU HB- 2.80 (# 1170:20 Unique 2.23, 2.69 A)
&rst
ixpk= 1170, nxpk= 20, iat=1899, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1901,1902,
&end
#
# 109 GLU HN 109 GLU HB- 4.50 (# 1171:20 Unique 2.08, 2.95 A)
&rst
ixpk= 1171, nxpk= 20, iat=1680, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1684,1685,
&end
#
# 113 LYS HN 111 PRO HB- 4.50 (# 1172:20 Unique 2.46, 3.63 A)
&rst
ixpk= 1172, nxpk= 20, iat=1751, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1722,1723,
&end
#
# 0 AMB 20-2:1173 0 AMB 20-1:1173 2.80 (# 1173:20 Double Ambig)
&rst
ixpk= 1173, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1435,2057,
igr2=1432,1433,2054,2055,
&end
#
# 112 LYS HN 112 LYS HB+ 5.50 (# 1174:20 Unique 2.19, 2.93 A)
&rst
ixpk= 1174, nxpk= 20, iat=1729, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1733,1734,
&end
#
# 56 ASP HA 112 LYS HB+ 3.50 (# 1175:20 Unique 1.95, 3.08 A)
&rst
ixpk= 1175, nxpk= 20, iat= 859, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1733,1734,
&end
#
# 112 LYS HN 112 LYS HB+ 5.50 (# 1176:20 Unique 2.19, 2.93 A)
&rst
ixpk= 1176, nxpk= 20, iat=1729, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1733,1734,
&end
#
# 0 AMB 20-2:1177 0 AMB 20-1:1177 2.80 (# 1177:20 Double Ambig)
&rst
ixpk= 1177, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=2443,1598,
igr2=2440,2441,1684,1685,
&end
#
# 0 AMB 20-2:1178 0 AMB 20-1:1178 3.50 (# 1178:20 Double Ambig)
&rst
ixpk= 1178, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=2434,2435,1675,1676,1697,1617,
igr2=2440,2441,1684,1685,1684,1685,1684,1685,
&end
#
# 159 ARG HN 158 PRO HB+ 4.50 (# 1179:20 Unique 4.28, 4.46 A)
&rst
ixpk= 1179, nxpk= 20, iat=2447, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2440,2441,
&end
#
# 0 AMB 20-2:1180 0 AMB 20-1:1180 3.50 (# 1180:20 Double Ambig)
&rst
ixpk= 1180, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1147,1682,
igr2=1152,1153,1684,1685,
&end
#
# 113 LYS HN 0 AMB 20-1:1181 4.50 (# 1181:20 Single Ambig)
&rst
ixpk= 1181, nxpk= 20, iat=1751, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1733,1734,1722,1723,
&end
#
# 56 ASP HA 112 LYS HB- 3.50 (# 1182:20 Unique 1.95, 3.08 A)
&rst
ixpk= 1182, nxpk= 20, iat= 859, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1733,1734,
&end
#
# 112 LYS HN 0 AMB 20-1:1183 4.50 (# 1183:20 Single Ambig)
&rst
ixpk= 1183, nxpk= 20, iat=1729, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1722,1723,1733,1734,
&end
#
# 0 AMB 20-2:1184 100 VAL HB 3.50 (# 1184:20 Single Ambig)
&rst
ixpk= 1184, nxpk= 20, iat= -1,1544, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1556, 735,1518,
&end
#
# 100 VAL HN 100 VAL HB 2.80 (# 1185:20 Unique 2.11, 2.12 A)
&rst
ixpk= 1185, nxpk= 20, iat=1540,1544, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 20-2:1186 0 AMB 20-1:1186 5.50 (# 1186:20 Double Ambig)
&rst
ixpk= 1186, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1499,2061,
igr2=1544,1100,1101,
&end
#
# 122 GLU HA 71 PRO HB- 3.50 (# 1187:20 Unique 2.84, 3.45 A)
&rst
ixpk= 1187, nxpk= 20, iat=1899, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1100,1101,
&end
#
# 100 VAL HA 100 VAL HB 3.50 (# 1188:20 Unique 2.75, 2.78 A)
&rst
ixpk= 1188, nxpk= 20, iat=1542,1544, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 133 THR HN 132 PRO HB- 4.50 (# 1189:20 Unique 3.50, 4.24 A)
&rst
ixpk= 1189, nxpk= 20, iat=2061, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2054,2055,
&end
#
# 71 PRO HD- 71 PRO HB+ 4.50 (# 1190:20 Unique 2.98, 3.70 A)
&rst
ixpk= 1190, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1094,1095,
igr2=1100,1101,
&end
#
# 159 ARG HN 158 PRO HB- 4.50 (# 1191:20 Unique 4.28, 4.46 A)
&rst
ixpk= 1191, nxpk= 20, iat=2447, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2440,2441,
&end
#
# 0 AMB 20-2:1192 158 PRO HB- 4.50 (# 1192:20 Single Ambig)
&rst
ixpk= 1192, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2498,2499,2498,2499,2434,2435,
igr2=2440,2441,
&end
#
# 158 PRO HD+ 158 PRO HB- 4.50 (# 1193:20 Unique 2.98, 3.70 A)
&rst
ixpk= 1193, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2434,2435,
igr2=2440,2441,
&end
#
# 137 MET HN 137 MET HG- 5.50 (# 1195:20 Unique 2.21, 3.15 A)
&rst
ixpk= 1195, nxpk= 20, iat=2116, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2123,2124,
&end
#
# 133 THR HN 132 PRO HB+ 5.50 (# 1196:20 Unique 3.50, 4.24 A)
&rst
ixpk= 1196, nxpk= 20, iat=2061, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2054,2055,
&end
#
# 75 MET HA 75 MET HG- 4.50 (# 1197:20 Unique 2.15, 2.52 A)
&rst
ixpk= 1197, nxpk= 20, iat=1147, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1152,1153,
&end
#
# 35 TYR HD 1 MET HG- 4.50 (# 1198:20 Unique 3.03, 5.77 A)
&rst
ixpk= 1198, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 564, 573,
igr2= 11, 12,
&end
#
# 112 LYS HA 112 LYS HB+ 3.50 (# 1199:20 Unique 2.44, 2.81 A)
&rst
ixpk= 1199, nxpk= 20, iat=1731, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1733,1734,
&end
#
# 112 LYS HA 112 LYS HB+ 3.50 (# 1200:20 Unique 2.44, 2.81 A)
&rst
ixpk= 1200, nxpk= 20, iat=1731, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1733,1734,
&end
#
# 81 GLU HA 81 GLU HB+ 4.50 (# 1201:20 Unique 2.40, 2.72 A)
&rst
ixpk= 1201, nxpk= 20, iat=1253, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1255,1256,
&end
#
# 112 LYS HA 112 LYS HB- 2.80 (# 1202:20 Unique 2.44, 2.81 A)
&rst
ixpk= 1202, nxpk= 20, iat=1731, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1733,1734,
&end
#
# 5 VAL HN 5 VAL HB 3.50 (# 1203:20 Unique 3.63, 3.65 A)
&rst
ixpk= 1203, nxpk= 20, iat= 83, 87, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:1205 5 VAL HB 3.50 (# 1205:20 Single Ambig)
&rst
ixpk= 1205, nxpk= 20, iat= -1, 87, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 905, 83,
&end
#
# 35 TYR HE 1 MET HG+ 5.50 (# 1206:20 Unique 3.49, 6.19 A)
&rst
ixpk= 1206, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 566, 571,
igr2= 11, 12,
&end
#
# 81 GLU HN 81 GLU HB+ 5.50 (# 1207:20 Unique 2.52, 3.13 A)
&rst
ixpk= 1207, nxpk= 20, iat=1251, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1255,1256,
&end
#
# 78 ARG HN 81 GLU HB+ 4.50 (# 1208:20 Unique 1.67, 2.48 A)
&rst
ixpk= 1208, nxpk= 20, iat=1200, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1255,1256,
&end
#
# 81 GLU HN 81 GLU HB- 4.50 (# 1210:20 Unique 2.52, 3.13 A)
&rst
ixpk= 1210, nxpk= 20, iat=1251, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1255,1256,
&end
#
# 146 LEU HN 145 VAL HB 3.50 (# 1211:20 Unique 2.33, 2.39 A)
&rst
ixpk= 1211, nxpk= 20, iat=2258,2246, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 140 PRO HA 140 PRO HB+ 2.80 (# 1212:20 Unique 2.30, 2.51 A)
&rst
ixpk= 1212, nxpk= 20, iat=2177, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2174,2175,
&end
#
# 141 ALA HN 140 PRO HB- 4.50 (# 1213:20 Unique 2.92, 3.52 A)
&rst
ixpk= 1213, nxpk= 20, iat=2181, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2174,2175,
&end
#
# 140 PRO HA 140 PRO HB- 2.80 (# 1214:20 Unique 2.30, 2.51 A)
&rst
ixpk= 1214, nxpk= 20, iat=2177, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2174,2175,
&end
#
# 145 VAL HN 145 VAL HB 3.50 (# 1215:20 Unique 2.65, 2.72 A)
&rst
ixpk= 1215, nxpk= 20, iat=2242,2246, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 141 ALA HN 140 PRO HB+ 4.50 (# 1216:20 Unique 2.92, 3.52 A)
&rst
ixpk= 1216, nxpk= 20, iat=2181, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2174,2175,
&end
#
# 0 AMB 20-2:1217 0 AMB 20-1:1217 2.80 (# 1217:20 Double Ambig)
&rst
ixpk= 1217, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=2168,2169,2193,
igr2=2174,2175,2246,
&end
#
# 140 PRO HD- 140 PRO HB+ 4.50 (# 1218:20 Unique 2.98, 3.70 A)
&rst
ixpk= 1218, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2168,2169,
igr2=2174,2175,
&end
#
# 23 VAL HN 23 VAL HB 4.50 (# 1219:20 Unique 3.57, 3.60 A)
&rst
ixpk= 1219, nxpk= 20, iat= 355, 359, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 23 VAL HA 23 VAL HB 3.50 (# 1220:20 Unique 2.34, 2.38 A)
&rst
ixpk= 1220, nxpk= 20, iat= 357, 359, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 46 MET HN 0 AMB 20-1:1221 2.80 (# 1221:20 Single Ambig)
&rst
ixpk= 1221, nxpk= 20, iat= 703, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 707, 708, 707, 708,
&end
#
# 46 MET HA 0 AMB 20-1:1222 2.80 (# 1222:20 Single Ambig)
&rst
ixpk= 1222, nxpk= 20, iat= 705, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 707, 708, 707, 708,
&end
#
# 47 GLU HN 0 AMB 20-1:1223 5.50 (# 1223:20 Single Ambig)
&rst
ixpk= 1223, nxpk= 20, iat= 720, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 707, 708, 707, 708,
&end
#
# 36 VAL HN 36 VAL HB 3.50 (# 1224:20 Unique 2.41, 2.46 A)
&rst
ixpk= 1224, nxpk= 20, iat= 577, 581, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 74 MET HA 74 MET HG- 4.50 (# 1225:20 Unique 2.54, 3.08 A)
&rst
ixpk= 1225, nxpk= 20, iat=1130, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1135,1136,
&end
#
# 75 MET HN 74 MET HG- 4.50 (# 1226:20 Unique 2.18, 2.89 A)
&rst
ixpk= 1226, nxpk= 20, iat=1145, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1135,1136,
&end
#
# 75 MET HN 74 MET HG+ 4.50 (# 1227:20 Unique 2.18, 2.89 A)
&rst
ixpk= 1227, nxpk= 20, iat=1145, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1135,1136,
&end
#
# 74 MET HA 74 MET HG+ 4.50 (# 1228:20 Unique 2.54, 3.08 A)
&rst
ixpk= 1228, nxpk= 20, iat=1130, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1135,1136,
&end
#
# 159 ARG HN 159 ARG HB+ 4.50 (# 1229:20 Unique 3.06, 3.40 A)
&rst
ixpk= 1229, nxpk= 20, iat=2447, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2451,2452,
&end
#
# 159 ARG HA 159 ARG HB+ 4.50 (# 1230:20 Unique 2.53, 2.78 A)
&rst
ixpk= 1230, nxpk= 20, iat=2449, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2451,2452,
&end
#
# 159 ARG HN 159 ARG HB- 4.50 (# 1231:20 Unique 3.06, 3.40 A)
&rst
ixpk= 1231, nxpk= 20, iat=2447, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2451,2452,
&end
#
# 159 ARG HA 159 ARG HB- 4.50 (# 1232:20 Unique 2.53, 2.78 A)
&rst
ixpk= 1232, nxpk= 20, iat=2449, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2451,2452,
&end
#
# 0 AMB 20-2:1233 0 AMB 20-1:1233 2.80 (# 1233:20 Double Ambig)
&rst
ixpk= 1233, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1292,1283,1284,
igr2=1289,1290,1289,1290,
&end
#
# 0 AMB 20-2:1234 0 AMB 20-1:1234 4.50 (# 1234:20 Double Ambig)
&rst
ixpk= 1234, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2404,2414,
igr2=2393,2394,2393,2394,
&end
#
# 155 GLU HA 155 GLU HB+ 3.50 (# 1235:20 Unique 2.34, 2.68 A)
&rst
ixpk= 1235, nxpk= 20, iat=2391, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2393,2394,
&end
#
# 155 GLU HN 155 GLU HB+ 4.50 (# 1236:20 Unique 2.26, 2.71 A)
&rst
ixpk= 1236, nxpk= 20, iat=2389, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2393,2394,
&end
#
# 22 ILE HN 22 ILE HG1+ 5.50 (# 1237:20 Unique 1.95, 3.04 A)
&rst
ixpk= 1237, nxpk= 20, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 346, 347,
&end
#
# 155 GLU HN 155 GLU HB- 3.50 (# 1238:20 Unique 2.26, 2.71 A)
&rst
ixpk= 1238, nxpk= 20, iat=2389, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2393,2394,
&end
#
# 155 GLU HA 155 GLU HB- 3.50 (# 1239:20 Unique 2.34, 2.68 A)
&rst
ixpk= 1239, nxpk= 20, iat=2391, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2393,2394,
&end
#
# 154 VAL HA 155 GLU HB- 5.50 (# 1240:20 Unique 4.30, 4.63 A)
&rst
ixpk= 1240, nxpk= 20, iat=2375, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2393,2394,
&end
#
# 0 AMB 20-2:1241 155 GLU HB- 4.50 (# 1241:20 Single Ambig)
&rst
ixpk= 1241, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2404,2414,
igr2=2393,2394,
&end
#
# 0 AMB 20-2:1242 0 AMB 20-1:1242 2.80 (# 1242:20 Double Ambig)
&rst
ixpk= 1242, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=2318,1292,1283,1284,
igr2=2320,2321,1289,1290,
&end
#
# 138 ILE HN 138 ILE HG1+ 3.50 (# 1243:20 Unique 2.05, 2.97 A)
&rst
ixpk= 1243, nxpk= 20, iat=2133, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2143,2144,
&end
#
# 138 ILE HN 138 ILE HG1- 5.50 (# 1244:20 Unique 2.05, 2.97 A)
&rst
ixpk= 1244, nxpk= 20, iat=2133, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2143,2144,
&end
#
# 0 AMB 20-2:1245 0 AMB 20-1:1245 2.80 (# 1245:20 Double Ambig)
&rst
ixpk= 1245, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 314, 417,2342, 373,
igr2= 375, 376, 419, 420, 419, 420,2344,2345, 375, 376,
&end
#
# 24 GLU HN 24 GLU HB+ 3.50 (# 1246:20 Unique 2.22, 2.97 A)
&rst
ixpk= 1246, nxpk= 20, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 375, 376,
&end
#
# 0 AMB 20-2:1247 0 AMB 20-1:1247 2.80 (# 1247:20 Double Ambig)
&rst
ixpk= 1247, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 415, 386,
igr2= 419, 420, 419, 420, 375, 376,
&end
#
# 126 PRO HA 126 PRO HB+ 3.50 (# 1248:20 Unique 2.30, 2.51 A)
&rst
ixpk= 1248, nxpk= 20, iat=1967, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1964,1965,
&end
#
# 126 PRO HD+ 126 PRO HB+ 5.50 (# 1249:20 Unique 2.98, 3.70 A)
&rst
ixpk= 1249, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1958,1959,
igr2=1964,1965,
&end
#
# 126 PRO HA 126 PRO HB- 3.50 (# 1250:20 Unique 2.30, 2.51 A)
&rst
ixpk= 1250, nxpk= 20, iat=1967, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1964,1965,
&end
#
# 126 PRO HD- 126 PRO HB- 4.50 (# 1251:20 Unique 2.98, 3.70 A)
&rst
ixpk= 1251, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1958,1959,
igr2=1964,1965,
&end
#
# 150 ARG HN 150 ARG HB+ 3.50 (# 1252:20 Unique 2.06, 2.78 A)
&rst
ixpk= 1252, nxpk= 20, iat=2316, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2320,2321,
&end
#
# 0 AMB 20-2:1253 0 AMB 20-1:1253 2.80 (# 1253:20 Double Ambig)
&rst
ixpk= 1253, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=2316, 371,
igr2=2320,2321, 375, 376,
&end
#
# 0 AMB 20-2:1254 0 AMB 20-1:1254 2.80 (# 1254:20 Double Ambig)
&rst
ixpk= 1254, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2318, 314, 373,
igr2=2320,2321, 375, 376,
&end
#
# 25 ALA HN 24 GLU HB- 4.50 (# 1255:20 Unique 2.18, 2.77 A)
&rst
ixpk= 1255, nxpk= 20, iat= 386, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 375, 376,
&end
#
# 151 GLU HN 151 GLU HB+ 3.50 (# 1256:20 Unique 2.24, 3.00 A)
&rst
ixpk= 1256, nxpk= 20, iat=2340, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2344,2345,
&end
#
# 152 SER HN 151 GLU HB+ 5.50 (# 1257:20 Unique 2.67, 3.30 A)
&rst
ixpk= 1257, nxpk= 20, iat=2355, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2344,2345,
&end
#
# 151 GLU HA 151 GLU HB+ 3.50 (# 1258:20 Unique 2.44, 2.77 A)
&rst
ixpk= 1258, nxpk= 20, iat=2342, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2344,2345,
&end
#
# 0 AMB 20-2:1259 0 AMB 20-1:1259 4.50 (# 1259:20 Double Ambig)
&rst
ixpk= 1259, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1925, 202,
igr2= 249, 250, 249, 250,
&end
#
# 137 MET HA 0 AMB 20-1:1261 3.50 (# 1261:20 Single Ambig)
&rst
ixpk= 1261, nxpk= 20, iat=2118, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=2120,2121,2120,2121,
&end
#
# 137 MET HN 0 AMB 20-1:1262 4.50 (# 1262:20 Single Ambig)
&rst
ixpk= 1262, nxpk= 20, iat=2116, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2120,2121,2120,2121,
&end
#
# 135 GLU HA 135 GLU HB+ 3.50 (# 1263:20 Unique 2.40, 2.75 A)
&rst
ixpk= 1263, nxpk= 20, iat=2093, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2095,2096,
&end
#
# 105 ARG HN 105 ARG HB+ 2.80 (# 1265:20 Unique 2.29, 3.02 A)
&rst
ixpk= 1265, nxpk= 20, iat=1615, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1619,1620,
&end
#
# 110 PHE HD 105 ARG HB+ 4.50 (# 1266:20 Unique 2.28, 4.29 A)
&rst
ixpk= 1266, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1703,1711,
igr2=1619,1620,
&end
#
# 16 GLU HA 16 GLU HB- 4.50 (# 1267:20 Unique 2.63, 2.83 A)
&rst
ixpk= 1267, nxpk= 20, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 249, 250,
&end
#
# 16 GLU HN 16 GLU HB- 4.50 (# 1268:20 Unique 2.07, 2.73 A)
&rst
ixpk= 1268, nxpk= 20, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 249, 250,
&end
#
# 16 GLU HN 16 GLU HB+ 3.50 (# 1269:20 Unique 2.07, 2.73 A)
&rst
ixpk= 1269, nxpk= 20, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 249, 250,
&end
#
# 16 GLU HA 16 GLU HB+ 4.50 (# 1270:20 Unique 2.63, 2.83 A)
&rst
ixpk= 1270, nxpk= 20, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 249, 250,
&end
#
# 28 GLN HN 28 GLN HB- 2.80 (# 1271:20 Unique 2.18, 2.91 A)
&rst
ixpk= 1271, nxpk= 20, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 434, 435,
&end
#
# 28 GLN HN 28 GLN HB+ 2.80 (# 1272:20 Unique 2.18, 2.91 A)
&rst
ixpk= 1272, nxpk= 20, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 434, 435,
&end
#
# 136 ALA HN 135 GLU HB+ 4.50 (# 1273:20 Unique 2.88, 3.51 A)
&rst
ixpk= 1273, nxpk= 20, iat=2106, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2095,2096,
&end
#
# 132 PRO HA 135 GLU HB+ 3.50 (# 1274:20 Unique 2.41, 3.78 A)
&rst
ixpk= 1274, nxpk= 20, iat=2057, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2095,2096,
&end
#
# 135 GLU HN 135 GLU HB+ 3.50 (# 1275:20 Unique 2.36, 2.52 A)
&rst
ixpk= 1275, nxpk= 20, iat=2091, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2095,2096,
&end
#
# 0 AMB 20-2:1276 0 AMB 20-1:1276 3.50 (# 1276:20 Double Ambig)
&rst
ixpk= 1276, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1942,2106,
igr2=1946,1947,2095,2096,
&end
#
# 0 AMB 20-2:1277 0 AMB 20-1:1277 2.80 (# 1277:20 Double Ambig)
&rst
ixpk= 1277, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1944,2057,
igr2=1946,1947,2095,2096,
&end
#
# 0 AMB 20-2:1278 0 AMB 20-1:1278 2.80 (# 1278:20 Double Ambig)
&rst
ixpk= 1278, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1958,1959,2093,
igr2=1946,1947,2095,2096,
&end
#
# 126 PRO HD- 125 GLU HB- 3.50 (# 1279:20 Unique 1.96, 3.67 A)
&rst
ixpk= 1279, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1958,1959,
igr2=1946,1947,
&end
#
# 135 GLU HN 135 GLU HB- 3.50 (# 1280:20 Unique 2.36, 2.52 A)
&rst
ixpk= 1280, nxpk= 20, iat=2091, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2095,2096,
&end
#
# 125 GLU HN 125 GLU HB+ 3.50 (# 1281:20 Unique 2.16, 3.07 A)
&rst
ixpk= 1281, nxpk= 20, iat=1942, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1946,1947,
&end
#
# 125 GLU HA 125 GLU HB+ 3.50 (# 1282:20 Unique 2.27, 2.75 A)
&rst
ixpk= 1282, nxpk= 20, iat=1944, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1946,1947,
&end
#
# 126 PRO HD- 125 GLU HB+ 4.50 (# 1283:20 Unique 1.96, 3.67 A)
&rst
ixpk= 1283, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1958,1959,
igr2=1946,1947,
&end
#
# 140 PRO HA 143 GLU HB+ 3.50 (# 1284:20 Unique 2.70, 3.65 A)
&rst
ixpk= 1284, nxpk= 20, iat=2177, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2214,2215,
&end
#
# 143 GLU HN 143 GLU HB- 2.80 (# 1285:20 Unique 2.07, 2.78 A)
&rst
ixpk= 1285, nxpk= 20, iat=2210, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2214,2215,
&end
#
# 28 GLN HA 28 GLN HB+ 2.80 (# 1286:20 Unique 2.27, 2.66 A)
&rst
ixpk= 1286, nxpk= 20, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 434, 435,
&end
#
# 89 LYS HA 89 LYS HD+ 4.50 (# 1287:20 Unique 2.00, 3.45 A)
&rst
ixpk= 1287, nxpk= 20, iat=1375, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1383,1384,
&end
#
# 82 VAL HN 82 VAL HB 3.50 (# 1289:20 Unique 3.05, 3.09 A)
&rst
ixpk= 1289, nxpk= 20, iat=1266,1270, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:1290 82 VAL HB 4.50 (# 1290:20 Single Ambig)
&rst
ixpk= 1290, nxpk= 20, iat= -1,1270, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1283,1284,1292,
&end
#
# 144 GLN HN 143 GLU HB+ 4.50 (# 1291:20 Unique 2.61, 3.40 A)
&rst
ixpk= 1291, nxpk= 20, iat=2225, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2214,2215,
&end
#
# 143 GLU HA 143 GLU HB+ 2.80 (# 1292:20 Unique 2.23, 2.66 A)
&rst
ixpk= 1292, nxpk= 20, iat=2212, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2214,2215,
&end
#
# 143 GLU HA 143 GLU HB- 2.80 (# 1293:20 Unique 2.23, 2.66 A)
&rst
ixpk= 1293, nxpk= 20, iat=2212, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2214,2215,
&end
#
# 144 GLN HN 143 GLU HB- 4.50 (# 1294:20 Unique 2.61, 3.40 A)
&rst
ixpk= 1294, nxpk= 20, iat=2225, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2214,2215,
&end
#
# 68 LYS HA 0 AMB 20-1:1295 4.50 (# 1295:20 Single Ambig)
&rst
ixpk= 1295, nxpk= 20, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1053,1054,1053,1054,
&end
#
# 159 ARG HA 159 ARG HG- 4.50 (# 1296:20 Unique 2.40, 3.06 A)
&rst
ixpk= 1296, nxpk= 20, iat=2449, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2454,2455,
&end
#
# 159 ARG HN 159 ARG HG+ 4.50 (# 1297:20 Unique 4.49, 4.90 A)
&rst
ixpk= 1297, nxpk= 20, iat=2447, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2454,2455,
&end
#
# 159 ARG HA 159 ARG HG+ 5.50 (# 1298:20 Unique 2.40, 3.06 A)
&rst
ixpk= 1298, nxpk= 20, iat=2449, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2454,2455,
&end
#
# 80 GLU HN 80 GLU HB+ 4.50 (# 1299:20 Unique 2.17, 3.17 A)
&rst
ixpk= 1299, nxpk= 20, iat=1236, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1240,1241,
&end
#
# 47 GLU HN 47 GLU HB+ 4.50 (# 1300:20 Unique 2.18, 2.85 A)
&rst
ixpk= 1300, nxpk= 20, iat= 720, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 724, 725,
&end
#
# 80 GLU HN 80 GLU HB- 3.50 (# 1301:20 Unique 2.17, 3.17 A)
&rst
ixpk= 1301, nxpk= 20, iat=1236, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1240,1241,
&end
#
# 47 GLU HN 47 GLU HB- 4.50 (# 1302:20 Unique 2.18, 2.85 A)
&rst
ixpk= 1302, nxpk= 20, iat= 720, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 724, 725,
&end
#
# 0 AMB 20-2:1303 47 GLU HB- 2.80 (# 1303:20 Single Ambig)
&rst
ixpk= 1303, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 722, 688,
igr2= 724, 725,
&end
#
# 150 ARG HN 150 ARG HG- 5.50 (# 1304:20 Unique 2.07, 3.58 A)
&rst
ixpk= 1304, nxpk= 20, iat=2316, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2323,2324,
&end
#
# 112 LYS HA 0 AMB 20-1:1305 3.50 (# 1305:20 Single Ambig)
&rst
ixpk= 1305, nxpk= 20, iat=1731, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1739,1740,1739,1740,
&end
#
# 112 LYS HN 0 AMB 20-1:1306 5.50 (# 1306:20 Single Ambig)
&rst
ixpk= 1306, nxpk= 20, iat=1729, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1739,1740,1739,1740,
&end
#
# 56 ASP HA 0 AMB 20-1:1307 4.50 (# 1307:20 Single Ambig)
&rst
ixpk= 1307, nxpk= 20, iat= 859, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1739,1740,1739,1740,
&end
#
# 67 LYS HA 0 AMB 20-1:1309 5.50 (# 1309:20 Single Ambig)
&rst
ixpk= 1309, nxpk= 20, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1053,1054,1053,1054,
&end
#
# 0 AMB 20-2:1311 0 AMB 20-1:1311 4.50 (# 1311:20 Double Ambig)
&rst
ixpk= 1311, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2318,2342,
igr2=2323,2324,2323,2324,
&end
#
# 58 LEU HA 58 LEU HG 4.50 (# 1312:20 Unique 2.59, 2.78 A)
&rst
ixpk= 1312, nxpk= 20, iat= 888, 893, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 141 ALA HN 140 PRO HG+ 4.50 (# 1313:20 Unique 1.94, 2.86 A)
&rst
ixpk= 1313, nxpk= 20, iat=2181, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2171,2172,
&end
#
# 137 MET HA 140 PRO HG+ 3.50 (# 1314:20 Unique 2.05, 2.39 A)
&rst
ixpk= 1314, nxpk= 20, iat=2118, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2171,2172,
&end
#
# 140 PRO HD+ 140 PRO HG+ 4.50 (# 1315:20 Unique 2.30, 2.58 A)
&rst
ixpk= 1315, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2168,2169,
igr2=2171,2172,
&end
#
# 140 PRO HD- 140 PRO HG+ 3.50 (# 1316:20 Unique 2.30, 2.58 A)
&rst
ixpk= 1316, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2168,2169,
igr2=2171,2172,
&end
#
# 140 PRO HA 140 PRO HG+ 4.50 (# 1317:20 Unique 3.85, 3.94 A)
&rst
ixpk= 1317, nxpk= 20, iat=2177, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2171,2172,
&end
#
# 83 PRO HD- 83 PRO HG+ 2.80 (# 1318:20 Unique 2.30, 2.58 A)
&rst
ixpk= 1318, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1283,1284,
igr2=1286,1287,
&end
#
# 137 MET HA 140 PRO HG- 4.50 (# 1319:20 Unique 2.05, 2.39 A)
&rst
ixpk= 1319, nxpk= 20, iat=2118, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2171,2172,
&end
#
# 140 PRO HD+ 140 PRO HG- 2.80 (# 1320:20 Unique 2.30, 2.58 A)
&rst
ixpk= 1320, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2168,2169,
igr2=2171,2172,
&end
#
# 140 PRO HD- 140 PRO HG- 2.80 (# 1321:20 Unique 2.30, 2.58 A)
&rst
ixpk= 1321, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2168,2169,
igr2=2171,2172,
&end
#
# 86 PHE HE 83 PRO HG- 5.50 (# 1323:20 Unique 6.18, 8.00 A)
&rst
ixpk= 1323, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1335,1339,
igr2=1286,1287,
&end
#
# 83 PRO HD- 83 PRO HG- 2.80 (# 1324:20 Unique 2.30, 2.58 A)
&rst
ixpk= 1324, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1283,1284,
igr2=1286,1287,
&end
#
# 77 LEU HA 77 LEU HG 3.50 (# 1325:20 Unique 2.32, 2.54 A)
&rst
ixpk= 1325, nxpk= 20, iat=1183,1188, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 59 ILE HN 58 LEU HG 4.50 (# 1326:20 Unique 1.90, 2.30 A)
&rst
ixpk= 1326, nxpk= 20, iat= 905, 893, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 58 LEU HA 58 LEU HG 4.50 (# 1327:20 Unique 2.59, 2.78 A)
&rst
ixpk= 1327, nxpk= 20, iat= 888, 893, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 3 ILE HA 3 ILE HG1+ 4.50 (# 1328:20 Unique 2.19, 2.75 A)
&rst
ixpk= 1328, nxpk= 20, iat= 47, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 55, 56,
&end
#
# 59 ILE HA 59 ILE HG1- 4.50 (# 1329:20 Unique 2.48, 3.03 A)
&rst
ixpk= 1329, nxpk= 20, iat= 907, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 915, 916,
&end
#
# 0 AMB 20-2:1330 0 AMB 20-1:1330 4.50 (# 1330:20 Double Ambig)
&rst
ixpk= 1330, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1081,1899,
igr2=1097,1098,1097,1098,
&end
#
# 0 AMB 20-2:1331 0 AMB 20-1:1331 2.80 (# 1331:20 Double Ambig)
&rst
ixpk= 1331, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1094,1095,1238,
igr2=1097,1098,1286,1287,
&end
#
# 71 PRO HD+ 71 PRO HG+ 4.50 (# 1332:20 Unique 2.30, 2.58 A)
&rst
ixpk= 1332, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1094,1095,
igr2=1097,1098,
&end
#
# 158 PRO HD+ 158 PRO HG+ 2.80 (# 1333:20 Unique 2.30, 2.58 A)
&rst
ixpk= 1333, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2434,2435,
igr2=2437,2438,
&end
#
# 0 AMB 20-2:1335 71 PRO HG- 3.50 (# 1335:20 Single Ambig)
&rst
ixpk= 1335, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1081,1899,
igr2=1097,1098,
&end
#
# 158 PRO HD+ 158 PRO HG- 2.80 (# 1336:20 Unique 2.30, 2.58 A)
&rst
ixpk= 1336, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2434,2435,
igr2=2437,2438,
&end
#
# 0 AMB 20-2:1337 94 GLN HB- 4.50 (# 1337:20 Single Ambig)
&rst
ixpk= 1337, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1520,1494,1495,1426,1427,
igr2=1460,1461,
&end
#
# 0 AMB 20-2:1338 0 AMB 20-1:1338 4.50 (# 1338:20 Double Ambig)
&rst
ixpk= 1338, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1967, 202,
igr2=1961,1962,1961,1962,1961,1962,
&end
#
# 0 AMB 20-2:1339 0 AMB 20-1:1339 3.50 (# 1339:20 Double Ambig)
&rst
ixpk= 1339, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1958,1959,1958,1959,
igr2=1961,1962,1961,1962,
&end
#
# 126 PRO HD- 0 AMB 20-1:1340 3.50 (# 1340:20 Single Ambig)
&rst
ixpk= 1340, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1958,1959,
igr2=1961,1962,1961,1962,
&end
#
# 76 ILE HN 0 AMB 20-1:1341 4.50 (# 1341:20 Single Ambig)
&rst
ixpk= 1341, nxpk= 20, iat=1162, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1172,1173,1172,1173,
&end
#
# 76 ILE HA 0 AMB 20-1:1342 4.50 (# 1342:20 Single Ambig)
&rst
ixpk= 1342, nxpk= 20, iat=1164, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1172,1173,1172,1173,
&end
#
# 0 AMB 20-2:1343 0 AMB 20-1:1343 2.80 (# 1343:20 Double Ambig)
&rst
ixpk= 1343, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=2434,2435,2498,2499,2498,2499,
igr2=2437,2438,2437,2438,2437,2438,
&end
#
# 158 PRO HA 158 PRO HG+ 3.50 (# 1344:20 Unique 3.85, 3.94 A)
&rst
ixpk= 1344, nxpk= 20, iat=2443, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2437,2438,
&end
#
# 160 SER HA 158 PRO HG+ 5.50 (# 1345:20 Unique 4.13, 5.00 A)
&rst
ixpk= 1345, nxpk= 20, iat=2473, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2437,2438,
&end
#
# 30 TYR HE 158 PRO HG- 4.50 (# 1347:20 Unique 4.51, 6.96 A)
&rst
ixpk= 1347, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 481, 486,
igr2=2437,2438,
&end
#
# 2 ARG HA 2 ARG HG- 5.50 (# 1348:20 Unique 2.73, 3.49 A)
&rst
ixpk= 1348, nxpk= 20, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 28, 29,
&end
#
# 116 LEU HA 116 LEU HG 4.50 (# 1349:20 Unique 3.71, 3.74 A)
&rst
ixpk= 1349, nxpk= 20, iat=1808,1813, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:1350 116 LEU HG 5.50 (# 1350:20 Single Ambig)
&rst
ixpk= 1350, nxpk= 20, iat= -1,1813, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1825, 924,
&end
#
# 130 LEU HN 130 LEU MDY 5.50 (# 1351:20 Unique 1.88, 3.01 A)
&rst
ixpk= 1351, nxpk= 20, iat=2014, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2023,2024,2025,2027,2028,2029,
&end
#
# 135 GLU HA 130 LEU MDY 3.50 (# 1352:20 Unique 1.98, 4.38 A)
&rst
ixpk= 1352, nxpk= 20, iat=2093, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2023,2024,2025,2027,2028,2029,
&end
#
# 18 ILE HA 130 LEU MDY 4.50 (# 1353:20 Unique 1.98, 4.08 A)
&rst
ixpk= 1353, nxpk= 20, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2023,2024,2025,2027,2028,2029,
&end
#
# 27 GLU HN 26 LEU MDY 5.50 (# 1354:20 Unique 3.39, 5.28 A)
&rst
ixpk= 1354, nxpk= 20, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 405, 406, 407, 409, 410, 411,
&end
#
# 26 LEU HA 26 LEU MDY 5.50 (# 1355:20 Unique 2.76, 4.13 A)
&rst
ixpk= 1355, nxpk= 20, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 405, 406, 407, 409, 410, 411,
&end
#
# 0 AMB 20-2:1356 26 LEU MDY 5.50 (# 1356:20 Single Ambig)
&rst
ixpk= 1356, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 357,2193,
igr2= 405, 406, 407, 409, 410, 411,
&end
#
# 144 GLN HN 144 GLN HB+ 4.50 (# 1357:20 Unique 2.07, 2.58 A)
&rst
ixpk= 1357, nxpk= 20, iat=2225, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2229,2230,
&end
#
# 0 AMB 20-2:1358 144 GLN HB- 2.80 (# 1358:20 Single Ambig)
&rst
ixpk= 1358, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2227,2183,
igr2=2229,2230,
&end
#
# 144 GLN HN 144 GLN HB- 4.50 (# 1359:20 Unique 2.07, 2.58 A)
&rst
ixpk= 1359, nxpk= 20, iat=2225, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2229,2230,
&end
#
# 158 PRO HA 158 PRO HG- 3.50 (# 1360:20 Unique 3.85, 3.94 A)
&rst
ixpk= 1360, nxpk= 20, iat=2443, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2437,2438,
&end
#
# 33 PRO HD- 33 PRO HG- 2.80 (# 1361:20 Unique 2.30, 2.58 A)
&rst
ixpk= 1361, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 531, 532,
igr2= 534, 535,
&end
#
# 29 ARG HN 29 ARG HG- 4.50 (# 1362:20 Unique 2.79, 3.32 A)
&rst
ixpk= 1362, nxpk= 20, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 454, 455,
&end
#
# 0 AMB 20-2:1363 0 AMB 20-1:1363 4.50 (# 1363:20 Double Ambig)
&rst
ixpk= 1363, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1990,1973,
igr2=1998,1999,1998,1999,
&end
#
# 12 LEU HA 128 ILE HG1+ 3.50 (# 1364:20 Unique 1.90, 3.26 A)
&rst
ixpk= 1364, nxpk= 20, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1998,1999,
&end
#
# 29 ARG HN 29 ARG HG+ 3.50 (# 1365:20 Unique 2.79, 3.32 A)
&rst
ixpk= 1365, nxpk= 20, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 454, 455,
&end
#
# 29 ARG HA 29 ARG HG+ 4.50 (# 1366:20 Unique 2.29, 3.14 A)
&rst
ixpk= 1366, nxpk= 20, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 454, 455,
&end
#
# 29 ARG HA 29 ARG HG+ 4.50 (# 1367:20 Unique 2.29, 3.14 A)
&rst
ixpk= 1367, nxpk= 20, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 454, 455,
&end
#
# 0 AMB 20-2:1368 0 AMB 20-1:1368 4.50 (# 1368:20 Double Ambig)
&rst
ixpk= 1368, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 610, 513,
igr2= 618, 619, 534, 535,
&end
#
# 38 ILE HN 38 ILE HG1- 3.50 (# 1369:20 Unique 1.83, 2.64 A)
&rst
ixpk= 1369, nxpk= 20, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 618, 619,
&end
#
# 0 AMB 20-2:1370 0 AMB 20-1:1370 3.50 (# 1370:20 Double Ambig)
&rst
ixpk= 1370, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1866,1850,
igr2=1874,1875,1874,1875,1874,1875,
&end
#
# 31 ILE HN 31 ILE HG1+ 4.50 (# 1371:20 Unique 2.26, 3.03 A)
&rst
ixpk= 1371, nxpk= 20, iat= 492, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 502, 503,
&end
#
# 0 AMB 20-2:1372 0 AMB 20-1:1372 3.50 (# 1372:20 Double Ambig)
&rst
ixpk= 1372, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1397, 494,1884,1885,
igr2=1405,1406, 502, 503,1874,1875,
&end
#
# 0 AMB 20-2:1373 0 AMB 20-1:1373 3.50 (# 1373:20 Double Ambig)
&rst
ixpk= 1373, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2449,1118,
igr2= 502, 503,1874,1875,1874,1875,
&end
#
# 31 ILE HA 31 ILE HG1- 3.50 (# 1374:20 Unique 3.02, 3.42 A)
&rst
ixpk= 1374, nxpk= 20, iat= 494, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 502, 503,
&end
#
# 0 AMB 20-2:1375 128 ILE HG1- 4.50 (# 1375:20 Single Ambig)
&rst
ixpk= 1375, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1990,1973,
igr2=1998,1999,
&end
#
# 0 AMB 20-2:1376 26 LEU MDY 4.50 (# 1376:20 Single Ambig)
&rst
ixpk= 1376, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 471, 396,
igr2= 405, 406, 407, 409, 410, 411,
&end
#
# 92 PRO HD+ 92 PRO HG+ 2.80 (# 1378:20 Unique 2.30, 2.58 A)
&rst
ixpk= 1378, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1426,1427,
igr2=1429,1430,
&end
#
# 29 ARG HA 29 ARG HG- 4.50 (# 1380:20 Unique 2.29, 3.14 A)
&rst
ixpk= 1380, nxpk= 20, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 454, 455,
&end
#
# 29 ARG HA 29 ARG HG- 4.50 (# 1381:20 Unique 2.29, 3.14 A)
&rst
ixpk= 1381, nxpk= 20, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 454, 455,
&end
#
# 0 AMB 20-2:1382 0 AMB 20-1:1382 4.50 (# 1382:20 Double Ambig)
&rst
ixpk= 1382, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 245, 511,
igr2=1930, 518,
&end
#
# 0 AMB 20-2:1383 32 LEU HG 4.50 (# 1383:20 Single Ambig)
&rst
ixpk= 1383, nxpk= 20, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 513, 610,
&end
#
# 33 PRO HD- 33 PRO HG+ 4.50 (# 1384:20 Unique 2.30, 2.58 A)
&rst
ixpk= 1384, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 531, 532,
igr2= 534, 535,
&end
#
# 90 ILE HN 90 ILE HG1+ 4.50 (# 1386:20 Unique 2.47, 3.50 A)
&rst
ixpk= 1386, nxpk= 20, iat=1395, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1405,1406,
&end
#
# 90 ILE HA 90 ILE HG1- 4.50 (# 1388:20 Unique 2.17, 2.83 A)
&rst
ixpk= 1388, nxpk= 20, iat=1397, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1405,1406,
&end
#
# 0 AMB 20-2:1389 101 LEU HG 4.50 (# 1389:20 Single Ambig)
&rst
ixpk= 1389, nxpk= 20, iat= -1,1563, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1556,1575,
&end
#
# 157 ILE HN 157 ILE HG1+ 3.50 (# 1390:20 Unique 1.97, 3.00 A)
&rst
ixpk= 1390, nxpk= 20, iat=2414, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2424,2425,
&end
#
# 124 LEU HN 124 LEU HG 4.50 (# 1391:20 Unique 4.55, 4.72 A)
&rst
ixpk= 1391, nxpk= 20, iat=1923,1930, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 146 LEU HN 146 LEU HG 2.80 (# 1392:20 Unique 1.95, 2.07 A)
&rst
ixpk= 1392, nxpk= 20, iat=2258,2265, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 20-2:1393 0 AMB 20-1:1393 3.50 (# 1393:20 Double Ambig)
&rst
ixpk= 1393, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=2414,1395,
igr2=2424,2425,1405,1406,
&end
#
# 86 PHE HE 114 LEU MDY 4.50 (# 1395:20 Unique 4.78, 7.66 A)
&rst
ixpk= 1395, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1335,1339,
igr2=1782,1783,1784,1786,1787,1788,
&end
#
# 79 ASP HA 114 LEU MDY 5.50 (# 1396:20 Unique 2.00, 3.89 A)
&rst
ixpk= 1396, nxpk= 20, iat=1226, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1782,1783,1784,1786,1787,1788,
&end
#
# 83 PRO HD- 114 LEU MDY 4.50 (# 1397:20 Unique 2.85, 5.49 A)
&rst
ixpk= 1397, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1283,1284,
igr2=1782,1783,1784,1786,1787,1788,
&end
#
# 121 PRO HD+ 121 PRO HG+ 4.50 (# 1398:20 Unique 2.30, 2.58 A)
&rst
ixpk= 1398, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1884,1885,
igr2=1887,1888,
&end
#
# 95 LEU HN 95 LEU HG 4.50 (# 1399:20 Unique 1.82, 4.38 A)
&rst
ixpk= 1399, nxpk= 20, iat=1473,1480, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 95 LEU HA 95 LEU HG 5.50 (# 1400:20 Unique 3.48, 3.67 A)
&rst
ixpk= 1400, nxpk= 20, iat=1475,1480, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 LEU HN 12 LEU HG 3.50 (# 1401:20 Unique 2.70, 3.01 A)
&rst
ixpk= 1401, nxpk= 20, iat= 181, 188, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:1402 0 AMB 20-1:1402 4.50 (# 1402:20 Double Ambig)
&rst
ixpk= 1402, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
igr1=1542, 531, 532,2475,2476,
igr2= 761,2424,2425,2424,2425,
&end
#
# 130 LEU HN 130 LEU HG 4.50 (# 1403:20 Unique 3.66, 3.76 A)
&rst
ixpk= 1403, nxpk= 20, iat=2014,2021, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 121 PRO HD- 121 PRO HG+ 4.50 (# 1404:20 Unique 2.30, 2.58 A)
&rst
ixpk= 1404, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1884,1885,
igr2=1887,1888,
&end
#
# 142 LEU HN 142 LEU HG 5.50 (# 1405:20 Unique 2.50, 2.63 A)
&rst
ixpk= 1405, nxpk= 20, iat=2191,2198, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:1406 49 LEU HG 4.50 (# 1406:20 Single Ambig)
&rst
ixpk= 1406, nxpk= 20, iat= -1, 761, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 792,1586,1615,1540,
&end
#
# 105 ARG HN 105 ARG HG+ 4.50 (# 1407:20 Unique 1.91, 3.04 A)
&rst
ixpk= 1407, nxpk= 20, iat=1615, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1622,1623,
&end
#
# 0 AMB 20-2:1408 0 AMB 20-1:1408 4.50 (# 1408:20 Double Ambig)
&rst
ixpk= 1408, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1499,1695,
igr2=1506,1622,1623,
&end
#
# 0 AMB 20-2:1409 0 AMB 20-1:1409 3.50 (# 1409:20 Double Ambig)
&rst
ixpk= 1409, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 398,1617, 698, 699,
igr2= 403,1622,1623,1506,
&end
#
# 0 AMB 20-2:1410 85 LEU HG 5.50 (# 1410:20 Single Ambig)
&rst
ixpk= 1410, nxpk= 20, iat= -1,1313, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1325,1306,
&end
#
# 123 SER HN 134 VAL MGY 5.50 (# 1411:20 Unique 3.06, 5.59 A)
&rst
ixpk= 1411, nxpk= 20, iat=1912, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2081,2082,2083,2085,2086,2087,
&end
#
# 134 VAL HN 134 VAL MGY 3.50 (# 1412:20 Unique 2.38, 3.95 A)
&rst
ixpk= 1412, nxpk= 20, iat=2075, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2081,2082,2083,2085,2086,2087,
&end
#
# 121 PRO HA 134 VAL MGY 2.80 (# 1413:20 Unique 1.91, 3.27 A)
&rst
ixpk= 1413, nxpk= 20, iat=1893, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=2081,2082,2083,2085,2086,2087,
&end
#
# 0 AMB 20-2:1414 0 AMB 20-1:1414 4.50 (# 1414:20 Double Ambig)
&rst
ixpk= 1414, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=2065, 247,2048,2049,
igr2=2081,2082,2083,2085,2086,2087, 209, 210, 211, 213,
214, 215,
&end
#
# 72 GLY HN 134 VAL MGY 5.50 (# 1415:20 Unique 3.34, 5.27 A)
&rst
ixpk= 1415, nxpk= 20, iat=1107, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2081,2082,2083,2085,2086,2087,
&end
#
# 122 GLU HN 134 VAL MGY 3.50 (# 1416:20 Unique 1.90, 4.00 A)
&rst
ixpk= 1416, nxpk= 20, iat=1897, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2081,2082,2083,2085,2086,2087,
&end
#
# 58 LEU HA 58 LEU MDY 5.50 (# 1417:20 Unique 1.97, 4.08 A)
&rst
ixpk= 1417, nxpk= 20, iat= 888, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 0 AMB 20-2:1418 58 LEU MDY 4.50 (# 1418:20 Single Ambig)
&rst
ixpk= 1418, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 905,1792,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 72 GLY HA+ 134 VAL MGY 5.50 (# 1419:20 Unique 2.59, 4.76 A)
&rst
ixpk= 1419, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1109,1110,
igr2=2081,2082,2083,2085,2086,2087,
&end
#
# 0 AMB 20-2:1420 0 AMB 20-1:1420 2.80 (# 1420:20 Double Ambig)
&rst
ixpk= 1420, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=2077, 756,
igr2=2081,2082,2083,2085,2086,2087, 763, 764, 765, 767,
768, 769,
&end
#
# 10 ASN HD2- 13 LEU MDY 4.50 (# 1421:20 Unique 1.83, 3.92 A)
&rst
ixpk= 1421, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 157, 158,
igr2= 209, 210, 211, 213, 214, 215,
&end
#
# 10 ASN HD2+ 13 LEU MDY 5.50 (# 1422:20 Unique 1.83, 3.92 A)
&rst
ixpk= 1422, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 157, 158,
igr2= 209, 210, 211, 213, 214, 215,
&end
#
# 6 LEU HA 6 LEU MDY 5.50 (# 1423:20 Unique 1.89, 3.06 A)
&rst
ixpk= 1423, nxpk= 20, iat= 101, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 108, 109, 110, 112, 113, 114,
&end
#
# 52 MET HA 6 LEU MDY 3.50 (# 1424:20 Unique 3.07, 5.66 A)
&rst
ixpk= 1424, nxpk= 20, iat= 794, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 108, 109, 110, 112, 113, 114,
&end
#
# 53 ALA HA 104 LEU MDY 3.50 (# 1425:20 Unique 1.85, 3.55 A)
&rst
ixpk= 1425, nxpk= 20, iat= 811, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1605,1606,1607,1609,1610,1611,
&end
#
# 0 AMB 20-2:1426 149 LEU MDY 3.50 (# 1426:20 Single Ambig)
&rst
ixpk= 1426, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2299,2260,
igr2=2306,2307,2308,2310,2311,2312,
&end
#
# 149 LEU HN 149 LEU MDY 5.50 (# 1427:20 Unique 1.86, 3.97 A)
&rst
ixpk= 1427, nxpk= 20, iat=2297, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2306,2307,2308,2310,2311,2312,
&end
#
# 139 GLU HN 139 GLU HB+ 3.50 (# 1428:20 Unique 2.09, 2.75 A)
&rst
ixpk= 1428, nxpk= 20, iat=2152, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2156,2157,
&end
#
# 0 AMB 20-2:1429 0 AMB 20-1:1429 3.50 (# 1429:20 Double Ambig)
&rst
ixpk= 1429, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=2154,2108,
igr2=2156,2157,2156,2157,
&end
#
# 140 PRO HD+ 139 GLU HB+ 4.50 (# 1430:20 Unique 2.01, 2.62 A)
&rst
ixpk= 1430, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2168,2169,
igr2=2156,2157,
&end
#
# 140 PRO HD- 139 GLU HB+ 2.80 (# 1431:20 Unique 2.01, 2.62 A)
&rst
ixpk= 1431, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2168,2169,
igr2=2156,2157,
&end
#
# 139 GLU HN 139 GLU HB- 3.50 (# 1432:20 Unique 2.09, 2.75 A)
&rst
ixpk= 1432, nxpk= 20, iat=2152, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2156,2157,
&end
#
# 0 AMB 20-2:1433 139 GLU HB- 3.50 (# 1433:20 Single Ambig)
&rst
ixpk= 1433, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2154,2108,
igr2=2156,2157,
&end
#
# 140 PRO HD- 139 GLU HB- 2.80 (# 1434:20 Unique 2.01, 2.62 A)
&rst
ixpk= 1434, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2168,2169,
igr2=2156,2157,
&end
#
# 140 PRO HD+ 139 GLU HB- 4.50 (# 1435:20 Unique 2.01, 2.62 A)
&rst
ixpk= 1435, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2168,2169,
igr2=2156,2157,
&end
#
# 49 LEU HN 49 LEU MDY 5.50 (# 1436:20 Unique 2.94, 5.03 A)
&rst
ixpk= 1436, nxpk= 20, iat= 754, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 763, 764, 765, 767, 768, 769,
&end
#
# 48 LEU HA 48 LEU MDY 5.50 (# 1437:20 Unique 2.05, 3.70 A)
&rst
ixpk= 1437, nxpk= 20, iat= 737, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 744, 745, 746, 748, 749, 750,
&end
#
# 41 GLY HA+ 48 LEU MDY 3.50 (# 1438:20 Unique 1.99, 4.61 A)
&rst
ixpk= 1438, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 660, 661,
igr2= 744, 745, 746, 748, 749, 750,
&end
#
# 0 AMB 20-2:1439 0 AMB 20-1:1439 3.50 (# 1439:20 Double Ambig)
&rst
ixpk= 1439, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 735, 953,
igr2= 744, 745, 746, 748, 749, 750,1815,1816,1817,1819,
1820,1821,
&end
#
# 0 AMB 20-2:1440 101 LEU MDY 5.50 (# 1440:20 Single Ambig)
&rst
ixpk= 1440, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1520,1501,
igr2=1565,1566,1567,1569,1570,1571,
&end
#
# 101 LEU HN 101 LEU MDY 4.50 (# 1441:20 Unique 2.36, 4.18 A)
&rst
ixpk= 1441, nxpk= 20, iat=1556, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1565,1566,1567,1569,1570,1571,
&end
#
# 83 PRO HD- 101 LEU MDY 4.50 (# 1442:20 Unique 1.93, 5.14 A)
&rst
ixpk= 1442, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1283,1284,
igr2=1565,1566,1567,1569,1570,1571,
&end
#
# 101 LEU HA 101 LEU MDY 4.50 (# 1443:20 Unique 1.98, 3.07 A)
&rst
ixpk= 1443, nxpk= 20, iat=1558, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1565,1566,1567,1569,1570,1571,
&end
#
# 86 PHE HD 0 AMB 20-1:1444 3.50 (# 1444:20 Single Ambig)
&rst
ixpk= 1444, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1333,1341,
igr2=1565,1566,1567,1569,1570,1571,1815,1816,1817,1819,
1820,1821,
&end
#
# 117 VAL HN 116 LEU MDX 5.50 (# 1445:20 Unique 2.08, 3.47 A)
&rst
ixpk= 1445, nxpk= 20, iat=1825, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1815,1816,1817,1819,1820,1821,
&end
#
# 118 GLY HA+ 116 LEU MDX 5.50 (# 1446:20 Unique 3.19, 4.58 A)
&rst
ixpk= 1446, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1843,1844,
igr2=1815,1816,1817,1819,1820,1821,
&end
#
# 104 LEU HN 104 LEU MDY 5.50 (# 1447:20 Unique 2.98, 4.61 A)
&rst
ixpk= 1447, nxpk= 20, iat=1596, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1605,1606,1607,1609,1610,1611,
&end
#
# 104 LEU HN 104 LEU HG 4.50 (# 1448:20 Unique 4.50, 4.61 A)
&rst
ixpk= 1448, nxpk= 20, iat=1596,1603, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 ARG HN 21 ARG HG+ 4.50 (# 1449:20 Unique 1.81, 2.67 A)
&rst
ixpk= 1449, nxpk= 20, iat= 312, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 319, 320,
&end
#
# 12 LEU HN 0 AMB 20-1:1450 4.50 (# 1450:20 Single Ambig)
&rst
ixpk= 1450, nxpk= 20, iat= 181, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 172, 173, 172, 173,
&end
#
# 0 AMB 20-2:1451 0 AMB 20-1:1451 4.50 (# 1451:20 Double Ambig)
&rst
ixpk= 1451, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 164, 262,
igr2= 172, 173, 172, 173, 172, 173,
&end
#
# 11 ILE HN 0 AMB 20-1:1452 2.80 (# 1452:20 Single Ambig)
&rst
ixpk= 1452, nxpk= 20, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 172, 173, 172, 173,
&end
#
# 117 VAL HN 116 LEU MDY 3.50 (# 1453:20 Unique 2.08, 3.47 A)
&rst
ixpk= 1453, nxpk= 20, iat=1825, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1815,1816,1817,1819,1820,1821,
&end
#
# 86 PHE HE 116 LEU MDY 3.50 (# 1454:20 Unique 2.99, 5.51 A)
&rst
ixpk= 1454, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1335,1339,
igr2=1815,1816,1817,1819,1820,1821,
&end
#
# 61 ALA HA 116 LEU MDY 5.50 (# 1455:20 Unique 3.07, 4.81 A)
&rst
ixpk= 1455, nxpk= 20, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1815,1816,1817,1819,1820,1821,
&end
#
# 116 LEU HA 116 LEU MDY 4.50 (# 1456:20 Unique 1.91, 3.57 A)
&rst
ixpk= 1456, nxpk= 20, iat=1808, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1815,1816,1817,1819,1820,1821,
&end
#
# 0 AMB 20-2:1457 77 LEU MDX 5.50 (# 1457:20 Single Ambig)
&rst
ixpk= 1457, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1308,1253,
igr2=1190,1191,1192,1194,1195,1196,
&end
#
# 77 LEU HN 77 LEU MDX 5.50 (# 1458:20 Unique 3.16, 4.86 A)
&rst
ixpk= 1458, nxpk= 20, iat=1181, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1190,1191,1192,1194,1195,1196,
&end
#
# 77 LEU HA 77 LEU MDX 4.50 (# 1459:20 Unique 2.13, 3.80 A)
&rst
ixpk= 1459, nxpk= 20, iat=1183, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1190,1191,1192,1194,1195,1196,
&end
#
# 0 AMB 20-2:1460 0 AMB 20-1:1460 4.50 (# 1460:20 Double Ambig)
&rst
ixpk= 1460, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 511,1841,
igr2= 520, 521, 522, 524, 525, 526,1815,1816,1817,1819,
1820,1821,
&end
#
# 0 AMB 20-2:1461 0 AMB 20-1:1461 5.50 (# 1461:20 Double Ambig)
&rst
ixpk= 1461, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=2406,1827,
igr2= 520, 521, 522, 524, 525, 526,1815,1816,1817,1819,
1820,1821,
&end
#
# 124 LEU HA 124 LEU MDY 5.50 (# 1462:20 Unique 1.90, 3.85 A)
&rst
ixpk= 1462, nxpk= 20, iat=1925, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1932,1933,1934,1936,1937,1938,
&end
#
# 0 AMB 20-2:1463 0 AMB 20-1:1463 5.50 (# 1463:20 Double Ambig)
&rst
ixpk= 1463, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1923, 886,
igr2=1932,1933,1934,1936,1937,1938, 895, 896, 897, 899,
900, 901,
&end
#
# 0 AMB 20-2:1465 0 AMB 20-1:1465 4.50 (# 1465:20 Double Ambig)
&rst
ixpk= 1465, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1449, 64,
igr2=1932,1933,1934,1936,1937,1938, 895, 896, 897, 899,
900, 901,
&end
#
# 0 AMB 20-2:1466 58 LEU MDX 3.50 (# 1466:20 Single Ambig)
&rst
ixpk= 1466, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 905,1792,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 58 LEU HA 58 LEU MDX 3.50 (# 1467:20 Unique 1.97, 4.08 A)
&rst
ixpk= 1467, nxpk= 20, iat= 888, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 32 LEU HA 32 LEU MDY 5.50 (# 1468:20 Unique 1.99, 3.34 A)
&rst
ixpk= 1468, nxpk= 20, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 520, 521, 522, 524, 525, 526,
&end
#
# 112 LYS HA 112 LYS HG+ 4.50 (# 1469:20 Unique 2.12, 2.88 A)
&rst
ixpk= 1469, nxpk= 20, iat=1731, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1736,1737,
&end
#
# 112 LYS HN 112 LYS HG+ 4.50 (# 1470:20 Unique 2.41, 3.06 A)
&rst
ixpk= 1470, nxpk= 20, iat=1729, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1736,1737,
&end
#
# 112 LYS HN 112 LYS HG- 4.50 (# 1471:20 Unique 2.41, 3.06 A)
&rst
ixpk= 1471, nxpk= 20, iat=1729, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1736,1737,
&end
#
# 56 ASP HA 112 LYS HG- 4.50 (# 1472:20 Unique 1.98, 3.50 A)
&rst
ixpk= 1472, nxpk= 20, iat= 859, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1736,1737,
&end
#
# 112 LYS HA 112 LYS HG- 4.50 (# 1473:20 Unique 2.12, 2.88 A)
&rst
ixpk= 1473, nxpk= 20, iat=1731, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1736,1737,
&end
#
# 39 LEU HN 58 LEU MDX 5.50 (# 1474:20 Unique 5.87, 7.87 A)
&rst
ixpk= 1474, nxpk= 20, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 50 GLY HN 49 LEU MDX 4.50 (# 1480:20 Unique 1.95, 4.89 A)
&rst
ixpk= 1480, nxpk= 20, iat= 773, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 763, 764, 765, 767, 768, 769,
&end
#
# 49 LEU HN 49 LEU MDX 4.50 (# 1481:20 Unique 2.94, 5.03 A)
&rst
ixpk= 1481, nxpk= 20, iat= 754, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 763, 764, 765, 767, 768, 769,
&end
#
# 104 LEU HA 49 LEU MDX 5.50 (# 1482:20 Unique 2.80, 4.39 A)
&rst
ixpk= 1482, nxpk= 20, iat=1598, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 763, 764, 765, 767, 768, 769,
&end
#
# 49 LEU HA 49 LEU MDX 4.50 (# 1483:20 Unique 3.19, 4.16 A)
&rst
ixpk= 1483, nxpk= 20, iat= 756, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 763, 764, 765, 767, 768, 769,
&end
#
# 85 LEU HA 85 LEU MDY 4.50 (# 1484:20 Unique 1.99, 3.61 A)
&rst
ixpk= 1484, nxpk= 20, iat=1308, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1315,1316,1317,1319,1320,1321,
&end
#
# 0 AMB 20-2:1485 85 LEU MDY 4.50 (# 1485:20 Single Ambig)
&rst
ixpk= 1485, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1325,1306,
igr2=1315,1316,1317,1319,1320,1321,
&end
#
# 86 PHE HD 85 LEU MDY 4.50 (# 1486:20 Unique 2.26, 5.53 A)
&rst
ixpk= 1486, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1333,1341,
igr2=1315,1316,1317,1319,1320,1321,
&end
#
# 26 LEU HN 0 AMB 20-1:1487 4.50 (# 1487:20 Single Ambig)
&rst
ixpk= 1487, nxpk= 20, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=2200,2201,2202,2204,2205,2206,2200,2201,2202,2204,
2205,2206,
&end
#
# 12 LEU HN 12 LEU MDX 4.50 (# 1488:20 Unique 3.02, 4.81 A)
&rst
ixpk= 1488, nxpk= 20, iat= 181, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 190, 191, 192, 194, 195, 196,
&end
#
# 10 ASN HD2+ 12 LEU MDX 5.50 (# 1489:20 Unique 1.94, 4.73 A)
&rst
ixpk= 1489, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 157, 158,
igr2= 190, 191, 192, 194, 195, 196,
&end
#
# 30 TYR HD 0 AMB 20-1:1490 5.50 (# 1490:20 Single Ambig)
&rst
ixpk= 1490, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 479, 488,
igr2=2200,2201,2202,2204,2205,2206,2200,2201,2202,2204,
2205,2206,
&end
#
# 30 TYR HE 0 AMB 20-1:1491 4.50 (# 1491:20 Single Ambig)
&rst
ixpk= 1491, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 481, 486,
igr2=2200,2201,2202,2204,2205,2206,2200,2201,2202,2204,
2205,2206,
&end
#
# 0 AMB 20-2:1492 0 AMB 20-1:1492 3.50 (# 1492:20 Double Ambig)
&rst
ixpk= 1492, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 183, 388,
igr2= 190, 191, 192, 194, 195, 196,2200,2201,2202,2204,
2205,2206,
&end
#
# 26 LEU HA 0 AMB 20-1:1493 3.50 (# 1493:20 Single Ambig)
&rst
ixpk= 1493, nxpk= 20, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=2200,2201,2202,2204,2205,2206,2200,2201,2202,2204,
2205,2206,
&end
#
# 142 LEU HA 0 AMB 20-1:1494 3.50 (# 1494:20 Single Ambig)
&rst
ixpk= 1494, nxpk= 20, iat=2193, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=2200,2201,2202,2204,2205,2206,2200,2201,2202,2204,
2205,2206,
&end
#
# 78 ARG HN 77 LEU MDY 4.50 (# 1495:20 Unique 2.66, 5.29 A)
&rst
ixpk= 1495, nxpk= 20, iat=1200, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1190,1191,1192,1194,1195,1196,
&end
#
# 77 LEU HA 77 LEU MDY 3.50 (# 1496:20 Unique 2.13, 3.80 A)
&rst
ixpk= 1496, nxpk= 20, iat=1183, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1190,1191,1192,1194,1195,1196,
&end
#
# 0 AMB 20-2:1497 77 LEU MDY 5.50 (# 1497:20 Single Ambig)
&rst
ixpk= 1497, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1308,1253,
igr2=1190,1191,1192,1194,1195,1196,
&end
#
# 40 ASP HN 39 LEU MDY 5.50 (# 1498:20 Unique 2.01, 3.64 A)
&rst
ixpk= 1498, nxpk= 20, iat= 646, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 636, 637, 638, 640, 641, 642,
&end
#
# 41 GLY HA+ 39 LEU MDY 5.50 (# 1500:20 Unique 3.18, 5.57 A)
&rst
ixpk= 1500, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 660, 661,
igr2= 636, 637, 638, 640, 641, 642,
&end
#
# 0 AMB 20-2:1501 0 AMB 20-1:1501 4.50 (# 1501:20 Double Ambig)
&rst
ixpk= 1501, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1375,1045,
igr2=1380,1381,1050,1051,1050,1051,
&end
#
# 130 LEU HN 130 LEU MDX 4.50 (# 1502:20 Unique 1.88, 3.01 A)
&rst
ixpk= 1502, nxpk= 20, iat=2014, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2023,2024,2025,2027,2028,2029,
&end
#
# 0 AMB 20-2:1503 130 LEU MDX 5.50 (# 1503:20 Single Ambig)
&rst
ixpk= 1503, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 260,2116,
igr2=2023,2024,2025,2027,2028,2029,
&end
#
# 18 ILE HN 130 LEU MDX 4.50 (# 1504:20 Unique 2.56, 4.53 A)
&rst
ixpk= 1504, nxpk= 20, iat= 270, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2023,2024,2025,2027,2028,2029,
&end
#
# 15 ASP HA 130 LEU MDX 3.50 (# 1505:20 Unique 1.97, 4.64 A)
&rst
ixpk= 1505, nxpk= 20, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2023,2024,2025,2027,2028,2029,
&end
#
# 18 ILE HA 130 LEU MDX 3.50 (# 1506:20 Unique 1.98, 4.08 A)
&rst
ixpk= 1506, nxpk= 20, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2023,2024,2025,2027,2028,2029,
&end
#
# 0 AMB 20-2:1508 39 LEU MDY 5.50 (# 1508:20 Single Ambig)
&rst
ixpk= 1508, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 782, 737,
igr2= 636, 637, 638, 640, 641, 642,
&end
#
# 86 PHE HD 97 LEU MDX 4.50 (# 1509:20 Unique 3.31, 6.28 A)
&rst
ixpk= 1509, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1333,1341,
igr2=1508,1509,1510,1512,1513,1514,
&end
#
# 97 LEU HA 97 LEU MDX 3.50 (# 1511:20 Unique 1.94, 3.77 A)
&rst
ixpk= 1511, nxpk= 20, iat=1501, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1508,1509,1510,1512,1513,1514,
&end
#
# 0 AMB 20-2:1513 0 AMB 20-1:1513 3.50 (# 1513:20 Double Ambig)
&rst
ixpk= 1513, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1753,1023,
igr2=1758,1759,1028,1029,
&end
#
# 89 LYS HA 89 LYS HG- 4.50 (# 1514:20 Unique 2.03, 3.02 A)
&rst
ixpk= 1514, nxpk= 20, iat=1375, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1380,1381,
&end
#
# 0 AMB 20-2:1515 95 LEU MDY 3.50 (# 1515:20 Single Ambig)
&rst
ixpk= 1515, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1435,1375,
igr2=1482,1483,1484,1486,1487,1488,
&end
#
# 95 LEU HA 95 LEU MDY 3.50 (# 1516:20 Unique 2.00, 3.18 A)
&rst
ixpk= 1516, nxpk= 20, iat=1475, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1482,1483,1484,1486,1487,1488,
&end
#
# 58 LEU HN 114 LEU MDX 4.50 (# 1518:20 Unique 4.25, 6.40 A)
&rst
ixpk= 1518, nxpk= 20, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1782,1783,1784,1786,1787,1788,
&end
#
# 114 LEU HA 114 LEU MDX 3.50 (# 1520:20 Unique 2.25, 4.14 A)
&rst
ixpk= 1520, nxpk= 20, iat=1775, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1782,1783,1784,1786,1787,1788,
&end
#
# 0 AMB 20-2:1521 82 VAL MGX 5.50 (# 1521:20 Single Ambig)
&rst
ixpk= 1521, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1200,1792,
igr2=1272,1273,1274,1276,1277,1278,
&end
#
# 32 LEU HN 32 LEU MDX 5.50 (# 1522:20 Unique 1.90, 3.44 A)
&rst
ixpk= 1522, nxpk= 20, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 520, 521, 522, 524, 525, 526,
&end
#
# 157 ILE HN 32 LEU MDX 4.50 (# 1523:20 Unique 3.09, 4.96 A)
&rst
ixpk= 1523, nxpk= 20, iat=2414, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 520, 521, 522, 524, 525, 526,
&end
#
# 32 LEU HA 32 LEU MDX 2.80 (# 1524:20 Unique 1.99, 3.34 A)
&rst
ixpk= 1524, nxpk= 20, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 520, 521, 522, 524, 525, 526,
&end
#
# 156 ALA HA 32 LEU MDX 3.50 (# 1525:20 Unique 2.75, 4.67 A)
&rst
ixpk= 1525, nxpk= 20, iat=2406, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 520, 521, 522, 524, 525, 526,
&end
#
# 33 PRO HD- 32 LEU MDX 4.50 (# 1526:20 Unique 2.54, 4.74 A)
&rst
ixpk= 1526, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 531, 532,
igr2= 520, 521, 522, 524, 525, 526,
&end
#
# 149 LEU HN 149 LEU MDX 5.50 (# 1527:20 Unique 1.86, 3.97 A)
&rst
ixpk= 1527, nxpk= 20, iat=2297, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2306,2307,2308,2310,2311,2312,
&end
#
# 0 AMB 20-2:1528 149 LEU MDX 2.80 (# 1528:20 Single Ambig)
&rst
ixpk= 1528, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2299,2260,
igr2=2306,2307,2308,2310,2311,2312,
&end
#
# 146 LEU HN 146 LEU MDX 4.50 (# 1529:20 Unique 2.06, 4.10 A)
&rst
ixpk= 1529, nxpk= 20, iat=2258, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2267,2268,2269,2271,2272,2273,
&end
#
# 0 AMB 20-2:1530 146 LEU MDX 4.50 (# 1530:20 Single Ambig)
&rst
ixpk= 1530, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2210,2277,
igr2=2267,2268,2269,2271,2272,2273,
&end
#
# 30 TYR HD 146 LEU MDX 5.50 (# 1531:20 Unique 2.95, 4.26 A)
&rst
ixpk= 1531, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 479, 488,
igr2=2267,2268,2269,2271,2272,2273,
&end
#
# 30 TYR HE 146 LEU MDX 4.50 (# 1532:20 Unique 2.78, 4.56 A)
&rst
ixpk= 1532, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 481, 486,
igr2=2267,2268,2269,2271,2272,2273,
&end
#
# 143 GLU HA 146 LEU MDX 3.50 (# 1533:20 Unique 1.97, 4.46 A)
&rst
ixpk= 1533, nxpk= 20, iat=2212, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2267,2268,2269,2271,2272,2273,
&end
#
# 146 LEU HA 146 LEU MDX 4.50 (# 1534:20 Unique 2.14, 3.97 A)
&rst
ixpk= 1534, nxpk= 20, iat=2260, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2267,2268,2269,2271,2272,2273,
&end
#
# 16 GLU HN 124 LEU MDX 3.50 (# 1536:20 Unique 1.92, 4.65 A)
&rst
ixpk= 1536, nxpk= 20, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1932,1933,1934,1936,1937,1938,
&end
#
# 15 ASP HN 124 LEU MDX 5.50 (# 1537:20 Unique 3.75, 6.12 A)
&rst
ixpk= 1537, nxpk= 20, iat= 233, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1932,1933,1934,1936,1937,1938,
&end
#
# 124 LEU HA 124 LEU MDX 2.80 (# 1538:20 Unique 1.90, 3.85 A)
&rst
ixpk= 1538, nxpk= 20, iat=1925, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1932,1933,1934,1936,1937,1938,
&end
#
# 0 AMB 20-2:1539 0 AMB 20-1:1539 4.50 (# 1539:20 Double Ambig)
&rst
ixpk= 1539, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1226,1435,
igr2=1782,1783,1784,1786,1787,1788,1482,1483,1484,1486,
1487,1488,
&end
#
# 95 LEU HA 95 LEU MDX 2.80 (# 1540:20 Unique 2.00, 3.18 A)
&rst
ixpk= 1540, nxpk= 20, iat=1475, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1482,1483,1484,1486,1487,1488,
&end
#
# 86 PHE HD 85 LEU MDX 5.50 (# 1541:20 Unique 2.26, 5.53 A)
&rst
ixpk= 1541, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1333,1341,
igr2=1315,1316,1317,1319,1320,1321,
&end
#
# 78 ARG HA 82 VAL MGX 5.50 (# 1542:20 Unique 4.07, 6.50 A)
&rst
ixpk= 1542, nxpk= 20, iat=1202, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1272,1273,1274,1276,1277,1278,
&end
#
# 116 LEU HN 82 VAL MGX 4.50 (# 1543:20 Unique 2.88, 5.60 A)
&rst
ixpk= 1543, nxpk= 20, iat=1806, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1272,1273,1274,1276,1277,1278,
&end
#
# 82 VAL HN 82 VAL MGX 2.80 (# 1544:20 Unique 1.57, 3.40 A)
&rst
ixpk= 1544, nxpk= 20, iat=1266, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1272,1273,1274,1276,1277,1278,
&end
#
# 83 PRO HD- 82 VAL MGX 4.50 (# 1545:20 Unique 1.72, 3.06 A)
&rst
ixpk= 1545, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1283,1284,
igr2=1272,1273,1274,1276,1277,1278,
&end
#
# 85 LEU HA 85 LEU MDX 3.50 (# 1546:20 Unique 1.99, 3.61 A)
&rst
ixpk= 1546, nxpk= 20, iat=1308, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1315,1316,1317,1319,1320,1321,
&end
#
# 0 AMB 20-2:1547 85 LEU MDX 5.50 (# 1547:20 Single Ambig)
&rst
ixpk= 1547, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1325,1306,
igr2=1315,1316,1317,1319,1320,1321,
&end
#
# 41 GLY HN 6 LEU MDX 3.50 (# 1548:20 Unique 3.29, 5.66 A)
&rst
ixpk= 1548, nxpk= 20, iat= 658, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 108, 109, 110, 112, 113, 114,
&end
#
# 7 GLY HN 6 LEU MDX 3.50 (# 1549:20 Unique 1.97, 4.28 A)
&rst
ixpk= 1549, nxpk= 20, iat= 118, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 108, 109, 110, 112, 113, 114,
&end
#
# 39 LEU HN 6 LEU MDX 5.50 (# 1550:20 Unique 4.30, 5.25 A)
&rst
ixpk= 1550, nxpk= 20, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 108, 109, 110, 112, 113, 114,
&end
#
# 6 LEU HA 6 LEU MDX 2.80 (# 1551:20 Unique 1.89, 3.06 A)
&rst
ixpk= 1551, nxpk= 20, iat= 101, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 108, 109, 110, 112, 113, 114,
&end
#
# 40 ASP HN 39 LEU MDX 2.80 (# 1554:20 Unique 2.01, 3.64 A)
&rst
ixpk= 1554, nxpk= 20, iat= 646, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 636, 637, 638, 640, 641, 642,
&end
#
# 39 LEU HA 39 LEU MDX 2.80 (# 1555:20 Unique 1.99, 3.13 A)
&rst
ixpk= 1555, nxpk= 20, iat= 629, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 636, 637, 638, 640, 641, 642,
&end
#
# 53 ALA HN 104 LEU MDX 5.50 (# 1556:20 Unique 2.82, 4.61 A)
&rst
ixpk= 1556, nxpk= 20, iat= 809, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1605,1606,1607,1609,1610,1611,
&end
#
# 104 LEU HA 104 LEU MDX 2.80 (# 1557:20 Unique 1.81, 3.26 A)
&rst
ixpk= 1557, nxpk= 20, iat=1598, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1605,1606,1607,1609,1610,1611,
&end
#
# 104 LEU HN 104 LEU MDX 4.50 (# 1558:20 Unique 2.98, 4.61 A)
&rst
ixpk= 1558, nxpk= 20, iat=1596, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1605,1606,1607,1609,1610,1611,
&end
#
# 0 AMB 20-2:1559 0 AMB 20-1:1559 3.50 (# 1559:20 Double Ambig)
&rst
ixpk= 1559, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1335,1339, 479, 488,
igr2=1508,1509,1510,1512,1513,1514, 405, 406, 407, 409,
410, 411,
&end
#
# 0 AMB 20-2:1560 0 AMB 20-1:1560 2.80 (# 1560:20 Double Ambig)
&rst
ixpk= 1560, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 398, 698, 699,
igr2= 405, 406, 407, 409, 410, 411,1508,1509,1510,1512,
1513,1514,
&end
#
# 46 MET HN 100 VAL MGX 5.50 (# 1561:20 Unique 3.86, 5.85 A)
&rst
ixpk= 1561, nxpk= 20, iat= 703, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1546,1547,1548,1550,1551,1552,
&end
#
# 0 AMB 20-2:1562 100 VAL MGX 3.50 (# 1562:20 Single Ambig)
&rst
ixpk= 1562, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 735,1556,
igr2=1546,1547,1548,1550,1551,1552,
&end
#
# 0 AMB 20-2:1563 100 VAL MGX 2.80 (# 1563:20 Single Ambig)
&rst
ixpk= 1563, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1540,1586,
igr2=1546,1547,1548,1550,1551,1552,
&end
#
# 49 LEU HN 100 VAL MGX 4.50 (# 1564:20 Unique 1.95, 3.88 A)
&rst
ixpk= 1564, nxpk= 20, iat= 754, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1546,1547,1548,1550,1551,1552,
&end
#
# 46 MET HA 100 VAL MGX 2.80 (# 1565:20 Unique 1.97, 3.41 A)
&rst
ixpk= 1565, nxpk= 20, iat= 705, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1546,1547,1548,1550,1551,1552,
&end
#
# 97 LEU HA 100 VAL MGX 3.50 (# 1566:20 Unique 2.66, 3.99 A)
&rst
ixpk= 1566, nxpk= 20, iat=1501, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1546,1547,1548,1550,1551,1552,
&end
#
# 100 VAL HA 100 VAL MGX 2.80 (# 1567:20 Unique 2.03, 3.26 A)
&rst
ixpk= 1567, nxpk= 20, iat=1542, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1546,1547,1548,1550,1551,1552,
&end
#
# 49 LEU HA 100 VAL MGX 3.50 (# 1568:20 Unique 2.11, 3.59 A)
&rst
ixpk= 1568, nxpk= 20, iat= 756, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1546,1547,1548,1550,1551,1552,
&end
#
# 0 AMB 20-2:1569 104 LEU MDX 4.50 (# 1569:20 Single Ambig)
&rst
ixpk= 1569, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 819,1556, 735,
igr2=1605,1606,1607,1609,1610,1611,
&end
#
# 0 AMB 20-2:1570 104 LEU MDX 4.50 (# 1570:20 Single Ambig)
&rst
ixpk= 1570, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 792,1615,
igr2=1605,1606,1607,1609,1610,1611,
&end
#
# 5 VAL HN 4 LEU MDX 3.50 (# 1571:20 Unique 2.24, 4.27 A)
&rst
ixpk= 1571, nxpk= 20, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 73, 74, 75, 77, 78, 79,
&end
#
# 39 LEU HN 4 LEU MDX 4.50 (# 1572:20 Unique 2.97, 5.03 A)
&rst
ixpk= 1572, nxpk= 20, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 73, 74, 75, 77, 78, 79,
&end
#
# 4 LEU HA 4 LEU MDX 2.80 (# 1573:20 Unique 2.01, 3.13 A)
&rst
ixpk= 1573, nxpk= 20, iat= 66, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 73, 74, 75, 77, 78, 79,
&end
#
# 38 ILE HA 4 LEU MDX 5.50 (# 1574:20 Unique 3.25, 5.21 A)
&rst
ixpk= 1574, nxpk= 20, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 73, 74, 75, 77, 78, 79,
&end
#
# 0 AMB 20-2:1575 4 LEU MDX 5.50 (# 1575:20 Single Ambig)
&rst
ixpk= 1575, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 782, 595,
igr2= 73, 74, 75, 77, 78, 79,
&end
#
# 0 AMB 20-2:1576 0 AMB 20-1:1576 4.50 (# 1576:20 Double Ambig)
&rst
ixpk= 1576, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 471, 396, 141,
igr2= 405, 406, 407, 409, 410, 411,1508,1509,1510,1512,
1513,1514,
&end
#
# 30 TYR HE 26 LEU MDX 5.50 (# 1577:20 Unique 4.22, 7.46 A)
&rst
ixpk= 1577, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 481, 486,
igr2= 405, 406, 407, 409, 410, 411,
&end
#
# 0 AMB 20-2:1578 0 AMB 20-1:1578 4.50 (# 1578:20 Double Ambig)
&rst
ixpk= 1578, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 219, 245,
igr2= 225, 226, 227,2039,2040,2041,
&end
#
# 15 ASP HN 14 THR MG2 2.80 (# 1579:20 Unique 1.99, 2.91 A)
&rst
ixpk= 1579, nxpk= 20, iat= 233, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 225, 226, 227,
&end
#
# 0 AMB 20-2:1580 0 AMB 20-1:1580 4.50 (# 1580:20 Double Ambig)
&rst
ixpk= 1580, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1984, 325,
igr2= 225, 226, 227,2039,2040,2041,
&end
#
# 14 THR HG1 14 THR MG2 3.50 (# 1581:20 Unique 2.85, 3.63 A)
&rst
ixpk= 1581, nxpk= 20, iat= 229, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 225, 226, 227,
&end
#
# 0 AMB 20-2:1582 0 AMB 20-1:1582 4.50 (# 1582:20 Double Ambig)
&rst
ixpk= 1582, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1925, 202,
igr2= 225, 226, 227,2039,2040,2041,
&end
#
# 0 AMB 20-2:1583 0 AMB 20-1:1583 2.80 (# 1583:20 Double Ambig)
&rst
ixpk= 1583, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 223,2009,2010,
igr2= 225, 226, 227,2039,2040,2041,
&end
#
# 14 THR HA 14 THR MG2 2.80 (# 1584:20 Unique 2.33, 3.12 A)
&rst
ixpk= 1584, nxpk= 20, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 225, 226, 227,
&end
#
# 122 GLU HN 0 AMB 20-1:1585 4.50 (# 1585:20 Single Ambig)
&rst
ixpk= 1585, nxpk= 20, iat=1897, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2039,2040,2041, 225, 226, 227,
&end
#
# 123 SER HN 131 THR MG2 3.50 (# 1586:20 Unique 2.08, 3.71 A)
&rst
ixpk= 1586, nxpk= 20, iat=1912, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2039,2040,2041,
&end
#
# 131 THR HB 0 AMB 20-1:1587 2.80 (# 1587:20 Single Ambig)
&rst
ixpk= 1587, nxpk= 20, iat=2037, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 225, 226, 227,2039,2040,2041,
&end
#
# 0 AMB 20-2:1588 131 THR MG2 3.50 (# 1588:20 Single Ambig)
&rst
ixpk= 1588, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2048,2049,2065,
igr2=2039,2040,2041,
&end
#
# 0 AMB 20-2:1589 0 AMB 20-1:1589 2.80 (# 1589:20 Double Ambig)
&rst
ixpk= 1589, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=2048,2049,1916,1917,1916,1917,
igr2=2039,2040,2041, 225, 226, 227,
&end
#
# 0 AMB 20-2:1590 134 VAL MGX 5.50 (# 1590:20 Single Ambig)
&rst
ixpk= 1590, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2061, 270,
igr2=2081,2082,2083,2085,2086,2087,
&end
#
# 134 VAL HN 134 VAL MGX 5.50 (# 1591:20 Unique 2.38, 3.95 A)
&rst
ixpk= 1591, nxpk= 20, iat=2075, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2081,2082,2083,2085,2086,2087,
&end
#
# 15 ASP HA 134 VAL MGX 5.50 (# 1592:20 Unique 2.16, 3.88 A)
&rst
ixpk= 1592, nxpk= 20, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2081,2082,2083,2085,2086,2087,
&end
#
# 121 PRO HA 134 VAL MGX 5.50 (# 1593:20 Unique 1.91, 3.27 A)
&rst
ixpk= 1593, nxpk= 20, iat=1893, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2081,2082,2083,2085,2086,2087,
&end
#
# 0 AMB 20-2:1594 134 VAL MGX 4.50 (# 1594:20 Single Ambig)
&rst
ixpk= 1594, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 272,1103, 247,
igr2=2081,2082,2083,2085,2086,2087,
&end
#
# 0 AMB 20-2:1595 134 VAL MGX 5.50 (# 1595:20 Single Ambig)
&rst
ixpk= 1595, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2093,2063,
igr2=2081,2082,2083,2085,2086,2087,
&end
#
# 134 VAL HA 134 VAL MGX 3.50 (# 1596:20 Unique 2.27, 3.11 A)
&rst
ixpk= 1596, nxpk= 20, iat=2077, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2081,2082,2083,2085,2086,2087,
&end
#
# 36 VAL HN 36 VAL MGY 3.50 (# 1597:20 Unique 2.70, 4.02 A)
&rst
ixpk= 1597, nxpk= 20, iat= 577, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 583, 584, 585, 587, 588, 589,
&end
#
# 36 VAL HA 36 VAL MGY 3.50 (# 1598:20 Unique 2.44, 3.11 A)
&rst
ixpk= 1598, nxpk= 20, iat= 579, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 583, 584, 585, 587, 588, 589,
&end
#
# 33 PRO HD- 36 VAL MGY 4.50 (# 1599:20 Unique 2.28, 4.08 A)
&rst
ixpk= 1599, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 531, 532,
igr2= 583, 584, 585, 587, 588, 589,
&end
#
# 109 GLU HN 107 THR MG2 5.50 (# 1600:20 Unique 1.92, 3.26 A)
&rst
ixpk= 1600, nxpk= 20, iat=1680, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1665,1666,1667,
&end
#
# 107 THR HN 107 THR MG2 3.50 (# 1601:20 Unique 1.93, 2.89 A)
&rst
ixpk= 1601, nxpk= 20, iat=1659, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1665,1666,1667,
&end
#
# 106 PHE HD 107 THR MG2 5.50 (# 1602:20 Unique 3.97, 7.20 A)
&rst
ixpk= 1602, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1647,1655,
igr2=1665,1666,1667,
&end
#
# 107 THR HB 107 THR MG2 2.80 (# 1603:20 Unique 2.23, 2.64 A)
&rst
ixpk= 1603, nxpk= 20, iat=1663, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1665,1666,1667,
&end
#
# 107 THR HA 107 THR MG2 2.80 (# 1604:20 Unique 3.18, 3.83 A)
&rst
ixpk= 1604, nxpk= 20, iat=1661, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1665,1666,1667,
&end
#
# 48 LEU HN 48 LEU MDX 4.50 (# 1605:20 Unique 1.89, 3.18 A)
&rst
ixpk= 1605, nxpk= 20, iat= 735, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 744, 745, 746, 748, 749, 750,
&end
#
# 48 LEU HA 48 LEU MDX 2.80 (# 1606:20 Unique 2.05, 3.70 A)
&rst
ixpk= 1606, nxpk= 20, iat= 737, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 744, 745, 746, 748, 749, 750,
&end
#
# 0 AMB 20-2:1607 36 VAL MGY 4.50 (# 1607:20 Single Ambig)
&rst
ixpk= 1607, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 593, 45,
igr2= 583, 584, 585, 587, 588, 589,
&end
#
# 35 TYR HE 36 VAL MGY 4.50 (# 1608:20 Unique 2.45, 6.19 A)
&rst
ixpk= 1608, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 566, 571,
igr2= 583, 584, 585, 587, 588, 589,
&end
#
# 35 TYR HD 36 VAL MGY 4.50 (# 1609:20 Unique 1.85, 5.83 A)
&rst
ixpk= 1609, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 564, 573,
igr2= 583, 584, 585, 587, 588, 589,
&end
#
# 146 LEU HN 146 LEU MDY 4.50 (# 1610:20 Unique 2.06, 4.10 A)
&rst
ixpk= 1610, nxpk= 20, iat=2258, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2267,2268,2269,2271,2272,2273,
&end
#
# 0 AMB 20-2:1611 146 LEU MDY 4.50 (# 1611:20 Single Ambig)
&rst
ixpk= 1611, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2277,2404,
igr2=2267,2268,2269,2271,2272,2273,
&end
#
# 30 TYR HD 146 LEU MDY 5.50 (# 1612:20 Unique 2.95, 4.26 A)
&rst
ixpk= 1612, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 479, 488,
igr2=2267,2268,2269,2271,2272,2273,
&end
#
# 30 TYR HE 146 LEU MDY 5.50 (# 1613:20 Unique 2.78, 4.56 A)
&rst
ixpk= 1613, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 481, 486,
igr2=2267,2268,2269,2271,2272,2273,
&end
#
# 146 LEU HA 146 LEU MDY 2.80 (# 1614:20 Unique 2.14, 3.97 A)
&rst
ixpk= 1614, nxpk= 20, iat=2260, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=2267,2268,2269,2271,2272,2273,
&end
#
# 145 VAL HN 145 VAL MGX 4.50 (# 1615:20 Unique 2.04, 3.63 A)
&rst
ixpk= 1615, nxpk= 20, iat=2242, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2248,2249,2250,2252,2253,2254,
&end
#
# 0 AMB 20-2:1616 8 VAL MGX 3.50 (# 1616:20 Single Ambig)
&rst
ixpk= 1616, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 696, 686,
igr2= 131, 132, 133, 135, 136, 137,
&end
#
# 8 VAL HN 8 VAL MGX 4.50 (# 1617:20 Unique 2.15, 3.49 A)
&rst
ixpk= 1617, nxpk= 20, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 131, 132, 133, 135, 136, 137,
&end
#
# 8 VAL HA 8 VAL MGX 2.80 (# 1618:20 Unique 2.05, 3.48 A)
&rst
ixpk= 1618, nxpk= 20, iat= 127, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 131, 132, 133, 135, 136, 137,
&end
#
# 0 AMB 20-2:1619 0 AMB 20-1:1619 4.50 (# 1619:20 Double Ambig)
&rst
ixpk= 1619, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1825, 924,
igr2=2248,2249,2250,2252,2253,2254, 131, 132, 133, 135,
136, 137,
&end
#
# 41 GLY HA+ 8 VAL MGX 3.50 (# 1620:20 Unique 1.97, 4.75 A)
&rst
ixpk= 1620, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 660, 661,
igr2= 131, 132, 133, 135, 136, 137,
&end
#
# 41 GLY HA+ 48 LEU MDX 2.80 (# 1621:20 Unique 1.99, 4.61 A)
&rst
ixpk= 1621, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 660, 661,
igr2= 744, 745, 746, 748, 749, 750,
&end
#
# 0 AMB 20-2:1622 12 LEU MDY 5.50 (# 1622:20 Single Ambig)
&rst
ixpk= 1622, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1990, 674,1973,
igr2= 190, 191, 192, 194, 195, 196,
&end
#
# 0 AMB 20-2:1623 36 VAL MGX 3.50 (# 1623:20 Single Ambig)
&rst
ixpk= 1623, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 593, 45,
igr2= 583, 584, 585, 587, 588, 589,
&end
#
# 36 VAL HA 36 VAL MGX 2.80 (# 1624:20 Unique 2.44, 3.11 A)
&rst
ixpk= 1624, nxpk= 20, iat= 579, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 583, 584, 585, 587, 588, 589,
&end
#
# 101 LEU HN 101 LEU MDX 4.50 (# 1625:20 Unique 2.36, 4.18 A)
&rst
ixpk= 1625, nxpk= 20, iat=1556, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1565,1566,1567,1569,1570,1571,
&end
#
# 101 LEU HA 101 LEU MDX 2.80 (# 1626:20 Unique 1.98, 3.07 A)
&rst
ixpk= 1626, nxpk= 20, iat=1558, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1565,1566,1567,1569,1570,1571,
&end
#
# 143 GLU HA 146 LEU MDY 4.50 (# 1627:20 Unique 1.97, 4.46 A)
&rst
ixpk= 1627, nxpk= 20, iat=2212, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2267,2268,2269,2271,2272,2273,
&end
#
# 18 ILE HN 17 ALA MB 4.50 (# 1628:20 Unique 2.99, 3.80 A)
&rst
ixpk= 1628, nxpk= 20, iat= 270, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 264, 265, 266,
&end
#
# 0 AMB 20-2:1629 17 ALA MB 5.50 (# 1629:20 Single Ambig)
&rst
ixpk= 1629, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2014, 312,
igr2= 264, 265, 266,
&end
#
# 17 ALA HN 17 ALA MB 2.80 (# 1630:20 Unique 2.17, 2.92 A)
&rst
ixpk= 1630, nxpk= 20, iat= 260, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 264, 265, 266,
&end
#
# 0 AMB 20-2:1631 17 ALA MB 2.80 (# 1631:20 Single Ambig)
&rst
ixpk= 1631, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 164, 262,
igr2= 264, 265, 266,
&end
#
# 12 LEU HN 12 LEU MDY 4.50 (# 1632:20 Unique 3.02, 4.81 A)
&rst
ixpk= 1632, nxpk= 20, iat= 181, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 190, 191, 192, 194, 195, 196,
&end
#
# 12 LEU HA 12 LEU MDY 2.80 (# 1633:20 Unique 2.38, 4.16 A)
&rst
ixpk= 1633, nxpk= 20, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 190, 191, 192, 194, 195, 196,
&end
#
# 145 VAL HN 145 VAL MGY 4.50 (# 1634:20 Unique 2.04, 3.63 A)
&rst
ixpk= 1634, nxpk= 20, iat=2242, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2248,2249,2250,2252,2253,2254,
&end
#
# 142 LEU HA 145 VAL MGY 4.50 (# 1635:20 Unique 2.03, 4.62 A)
&rst
ixpk= 1635, nxpk= 20, iat=2193, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2248,2249,2250,2252,2253,2254,
&end
#
# 0 AMB 20-2:1636 101 LEU MDX 5.50 (# 1636:20 Single Ambig)
&rst
ixpk= 1636, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1540,1615,1266,
igr2=1565,1566,1567,1569,1570,1571,
&end
#
# 70 THR HN 70 THR MG2 5.50 (# 1638:20 Unique 3.47, 4.55 A)
&rst
ixpk= 1638, nxpk= 20, iat=1079, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1085,1086,1087,
&end
#
# 70 THR HA 70 THR MG2 2.80 (# 1639:20 Unique 2.67, 3.20 A)
&rst
ixpk= 1639, nxpk= 20, iat=1081, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1085,1086,1087,
&end
#
# 0 AMB 20-2:1640 70 THR MG2 2.80 (# 1640:20 Single Ambig)
&rst
ixpk= 1640, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1094,1095,1083,
igr2=1085,1086,1087,
&end
#
# 71 PRO HA 70 THR MG2 5.50 (# 1641:20 Unique 4.13, 5.11 A)
&rst
ixpk= 1641, nxpk= 20, iat=1103, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1085,1086,1087,
&end
#
# 71 PRO HD+ 70 THR MG2 3.50 (# 1642:20 Unique 1.94, 3.33 A)
&rst
ixpk= 1642, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1094,1095,
igr2=1085,1086,1087,
&end
#
# 116 LEU HN 115 THR MG2 3.50 (# 1643:20 Unique 2.39, 3.36 A)
&rst
ixpk= 1643, nxpk= 20, iat=1806, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1798,1799,1800,
&end
#
# 115 THR HN 115 THR MG2 5.50 (# 1644:20 Unique 4.37, 4.71 A)
&rst
ixpk= 1644, nxpk= 20, iat=1792, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1798,1799,1800,
&end
#
# 78 ARG HA 115 THR MG2 5.50 (# 1645:20 Unique 2.92, 4.07 A)
&rst
ixpk= 1645, nxpk= 20, iat=1202, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1798,1799,1800,
&end
#
# 115 THR HA 115 THR MG2 3.50 (# 1646:20 Unique 2.05, 2.83 A)
&rst
ixpk= 1646, nxpk= 20, iat=1794, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1798,1799,1800,
&end
#
# 115 THR HB 115 THR MG2 2.80 (# 1647:20 Unique 2.24, 2.64 A)
&rst
ixpk= 1647, nxpk= 20, iat=1796, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1798,1799,1800,
&end
#
# 72 GLY HN 133 THR MG2 4.50 (# 1648:20 Unique 3.34, 4.63 A)
&rst
ixpk= 1648, nxpk= 20, iat=1107, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2067,2068,2069,
&end
#
# 133 THR HN 133 THR MG2 4.50 (# 1649:20 Unique 4.05, 4.55 A)
&rst
ixpk= 1649, nxpk= 20, iat=2061, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2067,2068,2069,
&end
#
# 134 VAL HN 133 THR MG2 4.50 (# 1650:20 Unique 3.31, 4.29 A)
&rst
ixpk= 1650, nxpk= 20, iat=2075, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2067,2068,2069,
&end
#
# 72 GLY HA+ 133 THR MG2 2.80 (# 1651:20 Unique 2.01, 3.52 A)
&rst
ixpk= 1651, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1109,1110,
igr2=2067,2068,2069,
&end
#
# 133 THR HB 133 THR MG2 2.80 (# 1652:20 Unique 2.30, 2.64 A)
&rst
ixpk= 1652, nxpk= 20, iat=2065, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=2067,2068,2069,
&end
#
# 133 THR HA 133 THR MG2 2.80 (# 1653:20 Unique 2.59, 3.28 A)
&rst
ixpk= 1653, nxpk= 20, iat=2063, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=2067,2068,2069,
&end
#
# 7 GLY HN 23 VAL MGX 4.50 (# 1654:20 Unique 3.00, 4.51 A)
&rst
ixpk= 1654, nxpk= 20, iat= 118, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 361, 362, 363, 365, 366, 367,
&end
#
# 23 VAL HN 23 VAL MGX 3.50 (# 1655:20 Unique 1.90, 3.04 A)
&rst
ixpk= 1655, nxpk= 20, iat= 355, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 361, 362, 363, 365, 366, 367,
&end
#
# 35 TYR HD 154 VAL MGY 5.50 (# 1657:20 Unique 2.78, 5.89 A)
&rst
ixpk= 1657, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 564, 573,
igr2=2379,2380,2381,2383,2384,2385,
&end
#
# 154 VAL HN 154 VAL MGY 3.50 (# 1658:20 Unique 2.16, 4.13 A)
&rst
ixpk= 1658, nxpk= 20, iat=2373, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2379,2380,2381,2383,2384,2385,
&end
#
# 35 TYR HE 154 VAL MGY 3.50 (# 1659:20 Unique 1.87, 4.70 A)
&rst
ixpk= 1659, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 566, 571,
igr2=2379,2380,2381,2383,2384,2385,
&end
#
# 0 AMB 20-2:1660 154 VAL MGY 2.80 (# 1660:20 Single Ambig)
&rst
ixpk= 1660, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=2375,2359,2360,
igr2=2379,2380,2381,2383,2384,2385,
&end
#
# 0 AMB 20-2:1661 154 VAL MGY 3.50 (# 1661:20 Single Ambig)
&rst
ixpk= 1661, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2299, 531, 532,
igr2=2379,2380,2381,2383,2384,2385,
&end
#
# 146 LEU HN 145 VAL MGY 4.50 (# 1662:20 Unique 3.74, 4.40 A)
&rst
ixpk= 1662, nxpk= 20, iat=2258, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2248,2249,2250,2252,2253,2254,
&end
#
# 127 HIS HN 13 LEU MDX 3.50 (# 1663:20 Unique 3.78, 6.00 A)
&rst
ixpk= 1663, nxpk= 20, iat=1971, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 209, 210, 211, 213, 214, 215,
&end
#
# 13 LEU HN 13 LEU MDX 4.50 (# 1664:20 Unique 2.57, 4.38 A)
&rst
ixpk= 1664, nxpk= 20, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 209, 210, 211, 213, 214, 215,
&end
#
# 0 AMB 20-2:1665 13 LEU MDX 2.80 (# 1665:20 Single Ambig)
&rst
ixpk= 1665, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1967, 202,
igr2= 209, 210, 211, 213, 214, 215,
&end
#
# 126 PRO HD+ 13 LEU MDX 5.50 (# 1666:20 Unique 3.40, 6.31 A)
&rst
ixpk= 1666, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1958,1959,
igr2= 209, 210, 211, 213, 214, 215,
&end
#
# 86 PHE HD 82 VAL MGY 3.50 (# 1667:20 Unique 2.97, 6.52 A)
&rst
ixpk= 1667, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1333,1341,
igr2=1272,1273,1274,1276,1277,1278,
&end
#
# 104 LEU HN 100 VAL MGY 5.50 (# 1668:20 Unique 4.19, 5.39 A)
&rst
ixpk= 1668, nxpk= 20, iat=1596, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1546,1547,1548,1550,1551,1552,
&end
#
# 0 AMB 20-2:1669 100 VAL MGY 3.50 (# 1669:20 Single Ambig)
&rst
ixpk= 1669, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1540,1586,
igr2=1546,1547,1548,1550,1551,1552,
&end
#
# 49 LEU HA 100 VAL MGY 3.50 (# 1670:20 Unique 2.11, 3.59 A)
&rst
ixpk= 1670, nxpk= 20, iat= 756, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1546,1547,1548,1550,1551,1552,
&end
#
# 0 AMB 20-2:1672 0 AMB 20-1:1672 2.80 (# 1672:20 Double Ambig)
&rst
ixpk= 1672, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1884,1885, 357,
igr2=1000,1001,1002,1004,1005,1006, 361, 362, 363, 365,
366, 367,
&end
#
# 72 GLY HN 119 VAL MGY 5.50 (# 1673:20 Unique 4.28, 7.03 A)
&rst
ixpk= 1673, nxpk= 20, iat=1107, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 120 ILE HN 119 VAL MGY 3.50 (# 1674:20 Unique 2.49, 4.38 A)
&rst
ixpk= 1674, nxpk= 20, iat=1864, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 119 VAL HN 119 VAL MGY 4.50 (# 1675:20 Unique 1.94, 3.31 A)
&rst
ixpk= 1675, nxpk= 20, iat=1848, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 0 AMB 20-2:1676 119 VAL MGY 2.80 (# 1676:20 Single Ambig)
&rst
ixpk= 1676, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1850,1866,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 134 VAL HA 119 VAL MGY 5.50 (# 1678:20 Unique 4.42, 6.46 A)
&rst
ixpk= 1678, nxpk= 20, iat=2077, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 0 AMB 20-2:1679 0 AMB 20-1:1679 4.50 (# 1679:20 Double Ambig)
&rst
ixpk= 1679, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=2404,2414,1556,
igr2=2379,2380,2381,2383,2384,2385,1272,1273,1274,1276,
1277,1278,
&end
#
# 154 VAL HN 154 VAL MGX 4.50 (# 1680:20 Unique 2.16, 4.13 A)
&rst
ixpk= 1680, nxpk= 20, iat=2373, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2379,2380,2381,2383,2384,2385,
&end
#
# 83 PRO HD- 82 VAL MGY 4.50 (# 1681:20 Unique 1.72, 3.06 A)
&rst
ixpk= 1681, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1283,1284,
igr2=1272,1273,1274,1276,1277,1278,
&end
#
# 0 AMB 20-2:1682 154 VAL MGX 2.80 (# 1682:20 Single Ambig)
&rst
ixpk= 1682, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=2375,2359,2360,
igr2=2379,2380,2381,2383,2384,2385,
&end
#
# 0 AMB 20-2:1683 154 VAL MGX 3.50 (# 1683:20 Single Ambig)
&rst
ixpk= 1683, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2299, 531, 532,
igr2=2379,2380,2381,2383,2384,2385,
&end
#
# 82 VAL HN 82 VAL MGY 5.50 (# 1684:20 Unique 1.57, 3.40 A)
&rst
ixpk= 1684, nxpk= 20, iat=1266, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1272,1273,1274,1276,1277,1278,
&end
#
# 87 THR HB 87 THR MG2 2.80 (# 1685:20 Unique 2.35, 2.64 A)
&rst
ixpk= 1685, nxpk= 20, iat=1349, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1351,1352,1353,
&end
#
# 87 THR HN 87 THR MG2 4.50 (# 1686:20 Unique 1.86, 2.68 A)
&rst
ixpk= 1686, nxpk= 20, iat=1345, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1351,1352,1353,
&end
#
# 87 THR HA 87 THR MG2 2.80 (# 1687:20 Unique 2.55, 3.26 A)
&rst
ixpk= 1687, nxpk= 20, iat=1347, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1351,1352,1353,
&end
#
# 84 ALA HA 87 THR MG2 3.50 (# 1688:20 Unique 2.17, 2.71 A)
&rst
ixpk= 1688, nxpk= 20, iat=1298, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1351,1352,1353,
&end
#
# 74 MET HN 73 THR MG2 3.50 (# 1690:20 Unique 2.65, 3.73 A)
&rst
ixpk= 1690, nxpk= 20, iat=1128, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1120,1121,1122,
&end
#
# 73 THR HN 73 THR MG2 4.50 (# 1691:20 Unique 3.10, 3.98 A)
&rst
ixpk= 1691, nxpk= 20, iat=1114, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1120,1121,1122,
&end
#
# 73 THR HA 73 THR MG2 2.80 (# 1694:20 Unique 2.98, 3.67 A)
&rst
ixpk= 1694, nxpk= 20, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1120,1121,1122,
&end
#
# 73 THR HB 73 THR MG2 2.80 (# 1695:20 Unique 2.39, 2.64 A)
&rst
ixpk= 1695, nxpk= 20, iat=1118, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1120,1121,1122,
&end
#
# 42 GLY HA+ 43 THR MG2 4.50 (# 1696:20 Unique 3.20, 4.35 A)
&rst
ixpk= 1696, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 667, 668,
igr2= 678, 679, 680,
&end
#
# 43 THR HN 43 THR MG2 4.50 (# 1697:20 Unique 2.42, 3.43 A)
&rst
ixpk= 1697, nxpk= 20, iat= 672, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 678, 679, 680,
&end
#
# 44 ALA HN 43 THR MG2 4.50 (# 1698:20 Unique 4.37, 5.22 A)
&rst
ixpk= 1698, nxpk= 20, iat= 686, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 678, 679, 680,
&end
#
# 10 ASN HD2- 43 THR MG2 4.50 (# 1699:20 Unique 2.51, 4.15 A)
&rst
ixpk= 1699, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 157, 158,
igr2= 678, 679, 680,
&end
#
# 10 ASN HD2+ 43 THR MG2 5.50 (# 1700:20 Unique 2.51, 4.15 A)
&rst
ixpk= 1700, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 157, 158,
igr2= 678, 679, 680,
&end
#
# 0 AMB 20-2:1701 43 THR MG2 2.80 (# 1701:20 Single Ambig)
&rst
ixpk= 1701, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 150, 676,
igr2= 678, 679, 680,
&end
#
# 43 THR HA 43 THR MG2 2.80 (# 1702:20 Unique 2.73, 3.31 A)
&rst
ixpk= 1702, nxpk= 20, iat= 674, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 678, 679, 680,
&end
#
# 65 VAL HN 65 VAL MGX 4.50 (# 1703:20 Unique 1.91, 4.01 A)
&rst
ixpk= 1703, nxpk= 20, iat= 994, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1000,1001,1002,1004,1005,1006,
&end
#
# 66 SER HN 65 VAL MGX 4.50 (# 1704:20 Unique 3.93, 5.12 A)
&rst
ixpk= 1704, nxpk= 20, iat=1010, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1000,1001,1002,1004,1005,1006,
&end
#
# 65 VAL HA 65 VAL MGX 2.80 (# 1705:20 Unique 2.31, 3.16 A)
&rst
ixpk= 1705, nxpk= 20, iat= 996, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1000,1001,1002,1004,1005,1006,
&end
#
# 155 GLU HN 154 VAL MGX 3.50 (# 1706:20 Unique 1.87, 4.46 A)
&rst
ixpk= 1706, nxpk= 20, iat=2389, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2379,2380,2381,2383,2384,2385,
&end
#
# 0 AMB 20-2:1707 154 VAL MGX 5.50 (# 1707:20 Single Ambig)
&rst
ixpk= 1707, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2391, 540,
igr2=2379,2380,2381,2383,2384,2385,
&end
#
# 0 AMB 20-2:1708 61 ALA MB 5.50 (# 1708:20 Single Ambig)
&rst
ixpk= 1708, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1825, 924,
igr2= 947, 948, 949,
&end
#
# 62 ASP HN 61 ALA MB 3.50 (# 1709:20 Unique 3.50, 4.07 A)
&rst
ixpk= 1709, nxpk= 20, iat= 953, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 947, 948, 949,
&end
#
# 61 ALA HN 61 ALA MB 3.50 (# 1710:20 Unique 2.44, 3.19 A)
&rst
ixpk= 1710, nxpk= 20, iat= 943, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 947, 948, 949,
&end
#
# 8 VAL HN 61 ALA MB 5.50 (# 1711:20 Unique 3.97, 4.97 A)
&rst
ixpk= 1711, nxpk= 20, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 947, 948, 949,
&end
#
# 61 ALA HA 61 ALA MB 2.80 (# 1712:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1712, nxpk= 20, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 947, 948, 949,
&end
#
# 19 GLY HA+ 61 ALA MB 4.50 (# 1713:20 Unique 1.92, 3.80 A)
&rst
ixpk= 1713, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 291, 292,
igr2= 947, 948, 949,
&end
#
# 31 ILE HN 156 ALA MB 5.50 (# 1714:20 Unique 5.11, 6.37 A)
&rst
ixpk= 1714, nxpk= 20, iat= 492, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2408,2409,2410,
&end
#
# 0 AMB 20-2:1715 156 ALA MB 2.80 (# 1715:20 Single Ambig)
&rst
ixpk= 1715, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=2404,2414,
igr2=2408,2409,2410,
&end
#
# 30 TYR HD 156 ALA MB 3.50 (# 1716:20 Unique 2.34, 4.77 A)
&rst
ixpk= 1716, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 479, 488,
igr2=2408,2409,2410,
&end
#
# 30 TYR HE 156 ALA MB 5.50 (# 1717:20 Unique 3.76, 5.80 A)
&rst
ixpk= 1717, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 481, 486,
igr2=2408,2409,2410,
&end
#
# 156 ALA HA 156 ALA MB 2.80 (# 1718:20 Unique 2.25, 2.63 A)
&rst
ixpk= 1718, nxpk= 20, iat=2406, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=2408,2409,2410,
&end
#
# 32 LEU HA 156 ALA MB 5.50 (# 1719:20 Unique 5.24, 6.03 A)
&rst
ixpk= 1719, nxpk= 20, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2408,2409,2410,
&end
#
# 120 ILE HN 119 VAL MGX 4.50 (# 1720:20 Unique 2.49, 4.38 A)
&rst
ixpk= 1720, nxpk= 20, iat=1864, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 6 LEU HN 5 VAL MGY 4.50 (# 1721:20 Unique 3.01, 4.95 A)
&rst
ixpk= 1721, nxpk= 20, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 89, 90, 91, 93, 94, 95,
&end
#
# 5 VAL HN 5 VAL MGY 4.50 (# 1722:20 Unique 1.74, 3.17 A)
&rst
ixpk= 1722, nxpk= 20, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 89, 90, 91, 93, 94, 95,
&end
#
# 0 AMB 20-2:1723 5 VAL MGY 5.50 (# 1723:20 Single Ambig)
&rst
ixpk= 1723, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 66, 101, 926,
igr2= 89, 90, 91, 93, 94, 95,
&end
#
# 38 ILE HA 5 VAL MGY 4.50 (# 1724:20 Unique 1.88, 3.59 A)
&rst
ixpk= 1724, nxpk= 20, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 89, 90, 91, 93, 94, 95,
&end
#
# 5 VAL HA 5 VAL MGY 2.80 (# 1725:20 Unique 2.22, 3.49 A)
&rst
ixpk= 1725, nxpk= 20, iat= 85, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 89, 90, 91, 93, 94, 95,
&end
#
# 0 AMB 20-2:1726 20 VAL MGX 4.50 (# 1726:20 Single Ambig)
&rst
ixpk= 1726, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 312, 141, 148,
igr2= 302, 303, 304, 306, 307, 308,
&end
#
# 21 ARG HA 20 VAL MGX 4.50 (# 1727:20 Unique 3.06, 5.19 A)
&rst
ixpk= 1727, nxpk= 20, iat= 314, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 302, 303, 304, 306, 307, 308,
&end
#
# 42 GLY HN 20 VAL MGX 4.50 (# 1728:20 Unique 2.25, 4.23 A)
&rst
ixpk= 1728, nxpk= 20, iat= 665, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 302, 303, 304, 306, 307, 308,
&end
#
# 0 AMB 20-2:1729 20 VAL MGX 4.50 (# 1729:20 Single Ambig)
&rst
ixpk= 1729, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 648, 120, 121,
igr2= 302, 303, 304, 306, 307, 308,
&end
#
# 42 GLY HN 20 VAL MGY 4.50 (# 1730:20 Unique 2.25, 4.23 A)
&rst
ixpk= 1730, nxpk= 20, iat= 665, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 302, 303, 304, 306, 307, 308,
&end
#
# 0 AMB 20-2:1731 20 VAL MGY 4.50 (# 1731:20 Single Ambig)
&rst
ixpk= 1731, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 312, 141, 148,
igr2= 302, 303, 304, 306, 307, 308,
&end
#
# 20 VAL HN 20 VAL MGY 2.80 (# 1732:20 Unique 2.94, 4.05 A)
&rst
ixpk= 1732, nxpk= 20, iat= 296, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 302, 303, 304, 306, 307, 308,
&end
#
# 0 AMB 20-2:1733 20 VAL MGY 4.50 (# 1733:20 Single Ambig)
&rst
ixpk= 1733, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 143, 144, 150,
igr2= 302, 303, 304, 306, 307, 308,
&end
#
# 0 AMB 20-2:1734 0 AMB 20-1:1734 4.50 (# 1734:20 Double Ambig)
&rst
ixpk= 1734, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 953, 686,
igr2=1854,1855,1856,1858,1859,1860, 302, 303, 304, 306,
307, 308,
&end
#
# 42 GLY HA- 20 VAL MGY 3.50 (# 1736:20 Unique 1.99, 4.38 A)
&rst
ixpk= 1736, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 667, 668,
igr2= 302, 303, 304, 306, 307, 308,
&end
#
# 74 MET HA 119 VAL MGX 5.50 (# 1737:20 Unique 3.54, 4.85 A)
&rst
ixpk= 1737, nxpk= 20, iat=1130, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 8 VAL HA 20 VAL MGY 2.80 (# 1738:20 Unique 2.00, 4.54 A)
&rst
ixpk= 1738, nxpk= 20, iat= 127, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 302, 303, 304, 306, 307, 308,
&end
#
# 119 VAL HN 119 VAL MGX 4.50 (# 1739:20 Unique 1.94, 3.31 A)
&rst
ixpk= 1739, nxpk= 20, iat=1848, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 118 GLY HN 117 VAL MGX 4.50 (# 1740:20 Unique 2.84, 4.32 A)
&rst
ixpk= 1740, nxpk= 20, iat=1841, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1831,1832,1833,1835,1836,1837,
&end
#
# 117 VAL HN 117 VAL MGX 5.50 (# 1741:20 Unique 3.07, 4.14 A)
&rst
ixpk= 1741, nxpk= 20, iat=1825, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1831,1832,1833,1835,1836,1837,
&end
#
# 117 VAL HA 117 VAL MGX 2.80 (# 1742:20 Unique 2.16, 3.13 A)
&rst
ixpk= 1742, nxpk= 20, iat=1827, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1831,1832,1833,1835,1836,1837,
&end
#
# 141 ALA HA 117 VAL MGX 2.80 (# 1743:20 Unique 2.55, 4.19 A)
&rst
ixpk= 1743, nxpk= 20, iat=2183, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1831,1832,1833,1835,1836,1837,
&end
#
# 65 VAL HN 65 VAL MGY 3.50 (# 1744:20 Unique 1.91, 4.01 A)
&rst
ixpk= 1744, nxpk= 20, iat= 994, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1000,1001,1002,1004,1005,1006,
&end
#
# 65 VAL HA 65 VAL MGY 2.80 (# 1745:20 Unique 2.31, 3.16 A)
&rst
ixpk= 1745, nxpk= 20, iat= 996, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1000,1001,1002,1004,1005,1006,
&end
#
# 0 AMB 20-2:1746 65 VAL MGY 4.50 (# 1746:20 Single Ambig)
&rst
ixpk= 1746, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1884,1885,1418,1419,1418,1419,
igr2=1000,1001,1002,1004,1005,1006,
&end
#
# 66 SER HN 65 VAL MGY 5.50 (# 1747:20 Unique 3.93, 5.12 A)
&rst
ixpk= 1747, nxpk= 20, iat=1010, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1000,1001,1002,1004,1005,1006,
&end
#
# 6 LEU HN 5 VAL MGX 5.50 (# 1748:20 Unique 3.01, 4.95 A)
&rst
ixpk= 1748, nxpk= 20, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 89, 90, 91, 93, 94, 95,
&end
#
# 5 VAL HN 5 VAL MGX 3.50 (# 1749:20 Unique 1.74, 3.17 A)
&rst
ixpk= 1749, nxpk= 20, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 89, 90, 91, 93, 94, 95,
&end
#
# 0 AMB 20-2:1750 5 VAL MGX 5.50 (# 1750:20 Single Ambig)
&rst
ixpk= 1750, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 66, 926,
igr2= 89, 90, 91, 93, 94, 95,
&end
#
# 38 ILE HA 5 VAL MGX 5.50 (# 1751:20 Unique 1.88, 3.59 A)
&rst
ixpk= 1751, nxpk= 20, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 89, 90, 91, 93, 94, 95,
&end
#
# 5 VAL HA 5 VAL MGX 3.50 (# 1752:20 Unique 2.22, 3.49 A)
&rst
ixpk= 1752, nxpk= 20, iat= 85, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 89, 90, 91, 93, 94, 95,
&end
#
# 53 ALA HN 53 ALA MB 2.80 (# 1753:20 Unique 2.07, 2.97 A)
&rst
ixpk= 1753, nxpk= 20, iat= 809, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 813, 814, 815,
&end
#
# 54 ASN HD2- 53 ALA MB 4.50 (# 1754:20 Unique 2.25, 4.21 A)
&rst
ixpk= 1754, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 828, 829,
igr2= 813, 814, 815,
&end
#
# 0 AMB 20-2:1755 53 ALA MB 3.50 (# 1755:20 Single Ambig)
&rst
ixpk= 1755, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 775, 776, 775, 776,
igr2= 813, 814, 815,
&end
#
# 54 ASN HD2+ 53 ALA MB 4.50 (# 1756:20 Unique 2.25, 4.21 A)
&rst
ixpk= 1756, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 828, 829,
igr2= 813, 814, 815,
&end
#
# 0 AMB 20-2:1757 0 AMB 20-1:1757 2.80 (# 1757:20 Double Ambig)
&rst
ixpk= 1757, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 696, 819, 686,
igr2= 690, 691, 692, 813, 814, 815,
&end
#
# 0 AMB 20-2:1758 0 AMB 20-1:1758 4.50 (# 1758:20 Double Ambig)
&rst
ixpk= 1758, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1682, 143, 144,
igr2= 813, 814, 815, 690, 691, 692,
&end
#
# 53 ALA HA 53 ALA MB 2.80 (# 1759:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1759, nxpk= 20, iat= 811, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 813, 814, 815,
&end
#
# 0 AMB 20-2:1760 0 AMB 20-1:1760 5.50 (# 1760:20 Double Ambig)
&rst
ixpk= 1760, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 737, 782,1663,
igr2= 690, 691, 692, 813, 814, 815,
&end
#
# 0 AMB 20-2:1761 0 AMB 20-1:1761 4.50 (# 1761:20 Double Ambig)
&rst
ixpk= 1761, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 674,1661,
igr2= 690, 691, 692, 813, 814, 815,
&end
#
# 24 GLU HA 23 VAL MGY 5.50 (# 1762:20 Unique 3.05, 5.27 A)
&rst
ixpk= 1762, nxpk= 20, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 361, 362, 363, 365, 366, 367,
&end
#
# 7 GLY HN 23 VAL MGY 4.50 (# 1763:20 Unique 3.00, 4.51 A)
&rst
ixpk= 1763, nxpk= 20, iat= 118, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 361, 362, 363, 365, 366, 367,
&end
#
# 24 GLU HN 23 VAL MGY 3.50 (# 1764:20 Unique 1.90, 3.75 A)
&rst
ixpk= 1764, nxpk= 20, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 361, 362, 363, 365, 366, 367,
&end
#
# 23 VAL HN 23 VAL MGY 2.80 (# 1765:20 Unique 1.90, 3.04 A)
&rst
ixpk= 1765, nxpk= 20, iat= 355, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 361, 362, 363, 365, 366, 367,
&end
#
# 0 AMB 20-2:1766 23 VAL MGY 2.80 (# 1766:20 Single Ambig)
&rst
ixpk= 1766, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 120, 121, 648,
igr2= 361, 362, 363, 365, 366, 367,
&end
#
# 23 VAL HA 23 VAL MGY 3.50 (# 1767:20 Unique 2.43, 3.53 A)
&rst
ixpk= 1767, nxpk= 20, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 361, 362, 363, 365, 366, 367,
&end
#
# 117 VAL HN 117 VAL MGY 3.50 (# 1768:20 Unique 3.07, 4.14 A)
&rst
ixpk= 1768, nxpk= 20, iat=1825, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1831,1832,1833,1835,1836,1837,
&end
#
# 118 GLY HN 117 VAL MGY 5.50 (# 1769:20 Unique 2.84, 4.32 A)
&rst
ixpk= 1769, nxpk= 20, iat=1841, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1831,1832,1833,1835,1836,1837,
&end
#
# 145 VAL HN 117 VAL MGY 5.50 (# 1770:20 Unique 3.72, 5.52 A)
&rst
ixpk= 1770, nxpk= 20, iat=2242, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1831,1832,1833,1835,1836,1837,
&end
#
# 76 ILE HA 117 VAL MGY 5.50 (# 1771:20 Unique 3.01, 4.61 A)
&rst
ixpk= 1771, nxpk= 20, iat=1164, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1831,1832,1833,1835,1836,1837,
&end
#
# 117 VAL HA 117 VAL MGY 3.50 (# 1772:20 Unique 2.16, 3.13 A)
&rst
ixpk= 1772, nxpk= 20, iat=1827, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1831,1832,1833,1835,1836,1837,
&end
#
# 141 ALA HA 117 VAL MGY 5.50 (# 1773:20 Unique 2.55, 4.19 A)
&rst
ixpk= 1773, nxpk= 20, iat=2183, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1831,1832,1833,1835,1836,1837,
&end
#
# 0 AMB 20-2:1775 44 ALA MB 2.80 (# 1775:20 Single Ambig)
&rst
ixpk= 1775, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 688, 660, 661,
igr2= 690, 691, 692,
&end
#
# 19 GLY HN 18 ILE MG2 3.50 (# 1776:20 Unique 1.92, 3.05 A)
&rst
ixpk= 1776, nxpk= 20, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 276, 277, 278,
&end
#
# 63 ALA HN 18 ILE MG2 5.50 (# 1777:20 Unique 3.08, 4.14 A)
&rst
ixpk= 1777, nxpk= 20, iat= 965, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 276, 277, 278,
&end
#
# 18 ILE HN 18 ILE MG2 2.80 (# 1778:20 Unique 2.46, 3.51 A)
&rst
ixpk= 1778, nxpk= 20, iat= 270, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 276, 277, 278,
&end
#
# 63 ALA HA 18 ILE MG2 3.50 (# 1779:20 Unique 3.51, 4.06 A)
&rst
ixpk= 1779, nxpk= 20, iat= 967, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 276, 277, 278,
&end
#
# 0 AMB 20-2:1780 18 ILE MG2 3.50 (# 1780:20 Single Ambig)
&rst
ixpk= 1780, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 247, 272,
igr2= 276, 277, 278,
&end
#
# 121 PRO HD+ 63 ALA MB 3.50 (# 1781:20 Unique 2.00, 4.10 A)
&rst
ixpk= 1781, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1884,1885,
igr2= 969, 970, 971,
&end
#
# 63 ALA HN 63 ALA MB 2.80 (# 1782:20 Unique 2.10, 2.98 A)
&rst
ixpk= 1782, nxpk= 20, iat= 965, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 969, 970, 971,
&end
#
# 64 ILE HN 63 ALA MB 2.80 (# 1783:20 Unique 2.69, 3.57 A)
&rst
ixpk= 1783, nxpk= 20, iat= 975, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 969, 970, 971,
&end
#
# 63 ALA HA 63 ALA MB 2.80 (# 1784:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1784, nxpk= 20, iat= 967, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 969, 970, 971,
&end
#
# 16 GLU HA 63 ALA MB 2.80 (# 1785:20 Unique 2.35, 3.45 A)
&rst
ixpk= 1785, nxpk= 20, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 969, 970, 971,
&end
#
# 45 GLY HN 8 VAL MGY 5.50 (# 1786:20 Unique 1.94, 4.27 A)
&rst
ixpk= 1786, nxpk= 20, iat= 696, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 131, 132, 133, 135, 136, 137,
&end
#
# 8 VAL HN 8 VAL MGY 3.50 (# 1787:20 Unique 2.15, 3.49 A)
&rst
ixpk= 1787, nxpk= 20, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 131, 132, 133, 135, 136, 137,
&end
#
# 8 VAL HA 8 VAL MGY 3.50 (# 1788:20 Unique 2.05, 3.48 A)
&rst
ixpk= 1788, nxpk= 20, iat= 127, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 131, 132, 133, 135, 136, 137,
&end
#
# 27 GLU HA 38 ILE MG2 5.50 (# 1789:20 Unique 3.53, 4.84 A)
&rst
ixpk= 1789, nxpk= 20, iat= 417, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 614, 615, 616,
&end
#
# 39 LEU HN 38 ILE MG2 3.50 (# 1790:20 Unique 3.82, 4.58 A)
&rst
ixpk= 1790, nxpk= 20, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 614, 615, 616,
&end
#
# 38 ILE HN 38 ILE MG2 5.50 (# 1791:20 Unique 3.25, 4.02 A)
&rst
ixpk= 1791, nxpk= 20, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 614, 615, 616,
&end
#
# 38 ILE HA 38 ILE MG2 3.50 (# 1792:20 Unique 2.00, 2.86 A)
&rst
ixpk= 1792, nxpk= 20, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 614, 615, 616,
&end
#
# 23 VAL HA 38 ILE MG2 5.50 (# 1793:20 Unique 2.03, 3.35 A)
&rst
ixpk= 1793, nxpk= 20, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 614, 615, 616,
&end
#
# 136 ALA HN 136 ALA MB 2.80 (# 1794:20 Unique 2.19, 2.92 A)
&rst
ixpk= 1794, nxpk= 20, iat=2106, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=2110,2111,2112,
&end
#
# 136 ALA HA 136 ALA MB 2.80 (# 1795:20 Unique 2.28, 2.63 A)
&rst
ixpk= 1795, nxpk= 20, iat=2108, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=2110,2111,2112,
&end
#
# 134 VAL HN 136 ALA MB 5.50 (# 1796:20 Unique 5.16, 6.15 A)
&rst
ixpk= 1796, nxpk= 20, iat=2075, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2110,2111,2112,
&end
#
# 104 LEU HN 103 ALA MB 3.50 (# 1797:20 Unique 2.70, 3.47 A)
&rst
ixpk= 1797, nxpk= 20, iat=1596, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1590,1591,1592,
&end
#
# 0 AMB 20-2:1798 103 ALA MB 4.50 (# 1798:20 Single Ambig)
&rst
ixpk= 1798, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1575,1556,
igr2=1590,1591,1592,
&end
#
# 103 ALA HN 103 ALA MB 2.80 (# 1799:20 Unique 2.08, 2.89 A)
&rst
ixpk= 1799, nxpk= 20, iat=1586, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1590,1591,1592,
&end
#
# 103 ALA HA 103 ALA MB 2.80 (# 1800:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1800, nxpk= 20, iat=1588, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1590,1591,1592,
&end
#
# 0 AMB 20-2:1801 103 ALA MB 4.50 (# 1801:20 Single Ambig)
&rst
ixpk= 1801, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1675,1676,1579,1580,
igr2=1590,1591,1592,
&end
#
# 100 VAL HA 103 ALA MB 2.80 (# 1802:20 Unique 2.56, 3.83 A)
&rst
ixpk= 1802, nxpk= 20, iat=1542, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1590,1591,1592,
&end
#
# 138 ILE HN 136 ALA MB 4.50 (# 1803:20 Unique 4.83, 5.17 A)
&rst
ixpk= 1803, nxpk= 20, iat=2133, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2110,2111,2112,
&end
#
# 142 LEU HN 141 ALA MB 3.50 (# 1806:20 Unique 2.26, 3.24 A)
&rst
ixpk= 1806, nxpk= 20, iat=2191, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2185,2186,2187,
&end
#
# 141 ALA HN 141 ALA MB 2.80 (# 1807:20 Unique 2.35, 2.88 A)
&rst
ixpk= 1807, nxpk= 20, iat=2181, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=2185,2186,2187,
&end
#
# 0 AMB 20-2:1808 141 ALA MB 5.50 (# 1808:20 Single Ambig)
&rst
ixpk= 1808, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2133,2225,
igr2=2185,2186,2187,
&end
#
# 0 AMB 20-2:1809 141 ALA MB 5.50 (# 1809:20 Single Ambig)
&rst
ixpk= 1809, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 291, 292,1827,
igr2=2185,2186,2187,
&end
#
# 141 ALA HA 141 ALA MB 2.80 (# 1810:20 Unique 2.36, 2.63 A)
&rst
ixpk= 1810, nxpk= 20, iat=2183, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=2185,2186,2187,
&end
#
# 0 AMB 20-2:1811 141 ALA MB 5.50 (# 1811:20 Single Ambig)
&rst
ixpk= 1811, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=2193,2168,2169,
igr2=2185,2186,2187,
&end
#
# 11 ILE HN 11 ILE MG2 2.80 (# 1812:20 Unique 1.91, 3.42 A)
&rst
ixpk= 1812, nxpk= 20, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 168, 169, 170,
&end
#
# 0 AMB 20-2:1813 11 ILE MG2 4.50 (# 1813:20 Single Ambig)
&rst
ixpk= 1813, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 181, 260,
igr2= 168, 169, 170,
&end
#
# 0 AMB 20-2:1814 11 ILE MG2 4.50 (# 1814:20 Single Ambig)
&rst
ixpk= 1814, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 150, 143, 144,
igr2= 168, 169, 170,
&end
#
# 0 AMB 20-2:1815 11 ILE MG2 2.80 (# 1815:20 Single Ambig)
&rst
ixpk= 1815, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 262, 164,
igr2= 168, 169, 170,
&end
#
# 0 AMB 20-2:1816 0 AMB 20-1:1816 4.50 (# 1816:20 Double Ambig)
&rst
ixpk= 1816, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 371,1373,
igr2= 390, 391, 392,1522,1523,1524,
&end
#
# 26 LEU HN 25 ALA MB 2.80 (# 1817:20 Unique 2.86, 3.65 A)
&rst
ixpk= 1817, nxpk= 20, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 390, 391, 392,
&end
#
# 0 AMB 20-2:1818 0 AMB 20-1:1818 2.80 (# 1818:20 Double Ambig)
&rst
ixpk= 1818, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 388,1475,
igr2= 390, 391, 392,1522,1523,1524,
&end
#
# 98 ALA HN 98 ALA MB 2.80 (# 1819:20 Unique 2.12, 2.88 A)
&rst
ixpk= 1819, nxpk= 20, iat=1518, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1522,1523,1524,
&end
#
# 98 ALA HA 98 ALA MB 2.80 (# 1821:20 Unique 2.25, 2.63 A)
&rst
ixpk= 1821, nxpk= 20, iat=1520, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1522,1523,1524,
&end
#
# 86 PHE HD 98 ALA MB 4.50 (# 1822:20 Unique 3.33, 4.76 A)
&rst
ixpk= 1822, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1333,1341,
igr2=1522,1523,1524,
&end
#
# 85 LEU HN 84 ALA MB 3.50 (# 1823:20 Unique 3.17, 3.84 A)
&rst
ixpk= 1823, nxpk= 20, iat=1306, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1300,1301,1302,
&end
#
# 84 ALA HN 84 ALA MB 2.80 (# 1824:20 Unique 2.08, 2.90 A)
&rst
ixpk= 1824, nxpk= 20, iat=1296, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1300,1301,1302,
&end
#
# 0 AMB 20-2:1825 84 ALA MB 2.80 (# 1825:20 Single Ambig)
&rst
ixpk= 1825, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1253,1298,
igr2=1300,1301,1302,
&end
#
# 77 LEU HN 76 ILE MG2 3.50 (# 1826:20 Unique 2.26, 3.56 A)
&rst
ixpk= 1826, nxpk= 20, iat=1181, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1168,1169,1170,
&end
#
# 76 ILE HN 76 ILE MG2 4.50 (# 1827:20 Unique 4.33, 4.59 A)
&rst
ixpk= 1827, nxpk= 20, iat=1162, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1168,1169,1170,
&end
#
# 76 ILE HA 76 ILE MG2 2.80 (# 1828:20 Unique 2.14, 2.98 A)
&rst
ixpk= 1828, nxpk= 20, iat=1164, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1168,1169,1170,
&end
#
# 146 LEU HN 147 ALA MB 5.50 (# 1829:20 Unique 4.43, 5.43 A)
&rst
ixpk= 1829, nxpk= 20, iat=2258, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2281,2282,2283,
&end
#
# 147 ALA HN 147 ALA MB 2.80 (# 1830:20 Unique 2.07, 2.88 A)
&rst
ixpk= 1830, nxpk= 20, iat=2277, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=2281,2282,2283,
&end
#
# 148 ALA HN 147 ALA MB 2.80 (# 1831:20 Unique 2.41, 3.31 A)
&rst
ixpk= 1831, nxpk= 20, iat=2287, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=2281,2282,2283,
&end
#
# 144 GLN HA 147 ALA MB 2.80 (# 1832:20 Unique 2.39, 3.48 A)
&rst
ixpk= 1832, nxpk= 20, iat=2227, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=2281,2282,2283,
&end
#
# 147 ALA HA 147 ALA MB 2.80 (# 1833:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1833, nxpk= 20, iat=2279, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=2281,2282,2283,
&end
#
# 150 ARG HN 147 ALA MB 4.50 (# 1834:20 Unique 5.48, 5.71 A)
&rst
ixpk= 1834, nxpk= 20, iat=2316, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2281,2282,2283,
&end
#
# 25 ALA HN 25 ALA MB 2.80 (# 1835:20 Unique 2.15, 2.88 A)
&rst
ixpk= 1835, nxpk= 20, iat= 386, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 390, 391, 392,
&end
#
# 86 PHE HE 60 ILE MG2 4.50 (# 1836:20 Unique 4.80, 6.15 A)
&rst
ixpk= 1836, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1335,1339,
igr2= 930, 931, 932,
&end
#
# 60 ILE HA 60 ILE MG2 2.80 (# 1837:20 Unique 2.39, 3.15 A)
&rst
ixpk= 1837, nxpk= 20, iat= 926, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 930, 931, 932,
&end
#
# 0 AMB 20-2:1838 90 ILE MG2 4.50 (# 1838:20 Single Ambig)
&rst
ixpk= 1838, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1395, 994,1439,
igr2=1401,1402,1403,
&end
#
# 91 SER HN 90 ILE MG2 5.50 (# 1839:20 Unique 2.39, 4.09 A)
&rst
ixpk= 1839, nxpk= 20, iat=1414, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1401,1402,1403,
&end
#
# 90 ILE HA 90 ILE MG2 2.80 (# 1840:20 Unique 2.31, 3.19 A)
&rst
ixpk= 1840, nxpk= 20, iat=1397, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1401,1402,1403,
&end
#
# 0 AMB 20-2:1841 90 ILE MG2 5.50 (# 1841:20 Single Ambig)
&rst
ixpk= 1841, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1012,1023,
igr2=1401,1402,1403,
&end
#
# 148 ALA HA 147 ALA MB 4.50 (# 1842:20 Unique 3.81, 4.75 A)
&rst
ixpk= 1842, nxpk= 20, iat=2289, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2281,2282,2283,
&end
#
# 0 AMB 20-2:1843 148 ALA MB 5.50 (# 1843:20 Single Ambig)
&rst
ixpk= 1843, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2299,2260,
igr2=2291,2292,2293,
&end
#
# 0 AMB 20-2:1844 60 ILE MG2 5.50 (# 1844:20 Single Ambig)
&rst
ixpk= 1844, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1825, 924,
igr2= 930, 931, 932,
&end
#
# 61 ALA HN 60 ILE MG2 3.50 (# 1845:20 Unique 1.93, 3.05 A)
&rst
ixpk= 1845, nxpk= 20, iat= 943, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 930, 931, 932,
&end
#
# 0 AMB 20-2:1846 148 ALA MB 2.80 (# 1846:20 Single Ambig)
&rst
ixpk= 1846, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 879,2287,
igr2=2291,2292,2293,
&end
#
# 148 ALA HA 148 ALA MB 2.80 (# 1847:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1847, nxpk= 20, iat=2289, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=2291,2292,2293,
&end
#
# 31 ILE HN 31 ILE MG2 4.50 (# 1848:20 Unique 4.40, 4.58 A)
&rst
ixpk= 1848, nxpk= 20, iat= 492, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 498, 499, 500,
&end
#
# 32 LEU HN 31 ILE MG2 2.80 (# 1849:20 Unique 2.93, 3.98 A)
&rst
ixpk= 1849, nxpk= 20, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 498, 499, 500,
&end
#
# 31 ILE HA 31 ILE MG2 2.80 (# 1850:20 Unique 2.33, 3.07 A)
&rst
ixpk= 1850, nxpk= 20, iat= 494, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 498, 499, 500,
&end
#
# 65 VAL HN 64 ILE MG2 4.50 (# 1851:20 Unique 2.78, 4.40 A)
&rst
ixpk= 1851, nxpk= 20, iat= 994, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 981, 982, 983,
&end
#
# 66 SER HN 64 ILE MG2 5.50 (# 1852:20 Unique 1.93, 3.70 A)
&rst
ixpk= 1852, nxpk= 20, iat=1010, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 981, 982, 983,
&end
#
# 0 AMB 20-2:1853 64 ILE MG2 4.50 (# 1853:20 Single Ambig)
&rst
ixpk= 1853, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 975,1065,1074,1075,
igr2= 981, 982, 983,
&end
#
# 64 ILE HA 64 ILE MG2 3.50 (# 1854:20 Unique 2.42, 3.14 A)
&rst
ixpk= 1854, nxpk= 20, iat= 977, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 981, 982, 983,
&end
#
# 66 SER HB+ 64 ILE MG2 5.50 (# 1855:20 Unique 2.00, 4.35 A)
&rst
ixpk= 1855, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1014,1015,
igr2= 981, 982, 983,
&end
#
# 0 AMB 20-2:1856 59 ILE MG2 2.80 (# 1856:20 Single Ambig)
&rst
ixpk= 1856, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 924,1825,
igr2= 911, 912, 913,
&end
#
# 59 ILE HA 59 ILE MG2 3.50 (# 1857:20 Unique 1.97, 2.96 A)
&rst
ixpk= 1857, nxpk= 20, iat= 907, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 911, 912, 913,
&end
#
# 115 THR HB 59 ILE MG2 4.50 (# 1858:20 Unique 1.98, 3.23 A)
&rst
ixpk= 1858, nxpk= 20, iat=1796, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 911, 912, 913,
&end
#
# 12 LEU HA 128 ILE MG2 5.50 (# 1860:20 Unique 2.28, 4.82 A)
&rst
ixpk= 1860, nxpk= 20, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1994,1995,1996,
&end
#
# 10 ASN HD2- 128 ILE MG2 4.50 (# 1861:20 Unique 6.06, 9.14 A)
&rst
ixpk= 1861, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 157, 158,
igr2=1994,1995,1996,
&end
#
# 128 ILE HA 128 ILE MG2 3.50 (# 1862:20 Unique 2.06, 3.01 A)
&rst
ixpk= 1862, nxpk= 20, iat=1990, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1994,1995,1996,
&end
#
# 152 SER HN 1 MET ME 5.50 (# 1863:20 Unique 4.13, 5.27 A)
&rst
ixpk= 1863, nxpk= 20, iat=2355, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 15, 16, 17,
&end
#
# 35 TYR HE 1 MET ME 5.50 (# 1864:20 Unique 4.08, 7.48 A)
&rst
ixpk= 1864, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 566, 571,
igr2= 15, 16, 17,
&end
#
# 152 SER HB+ 1 MET ME 4.50 (# 1865:20 Unique 1.95, 3.40 A)
&rst
ixpk= 1865, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2359,2360,
igr2= 15, 16, 17,
&end
#
# 22 ILE HN 22 ILE MG2 4.50 (# 1867:20 Unique 4.19, 4.50 A)
&rst
ixpk= 1867, nxpk= 20, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 342, 343, 344,
&end
#
# 23 VAL HN 22 ILE MG2 4.50 (# 1868:20 Unique 2.27, 3.53 A)
&rst
ixpk= 1868, nxpk= 20, iat= 355, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 342, 343, 344,
&end
#
# 0 AMB 20-2:1869 22 ILE MG2 3.50 (# 1869:20 Single Ambig)
&rst
ixpk= 1869, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2193, 357,
igr2= 342, 343, 344,
&end
#
# 0 AMB 20-2:1870 75 MET ME 5.50 (# 1870:20 Single Ambig)
&rst
ixpk= 1870, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1850,1183,
igr2=1156,1157,1158,
&end
#
# 0 AMB 20-2:1871 52 MET ME 5.50 (# 1871:20 Single Ambig)
&rst
ixpk= 1871, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1556, 735,1575, 819,
igr2= 803, 804, 805,
&end
#
# 0 AMB 20-2:1872 52 MET ME 4.50 (# 1872:20 Single Ambig)
&rst
ixpk= 1872, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1558, 811,
igr2= 803, 804, 805,
&end
#
# 0 AMB 20-2:1873 52 MET ME 5.50 (# 1873:20 Single Ambig)
&rst
ixpk= 1873, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1501,1520,
igr2= 803, 804, 805,
&end
#
# 49 LEU HA 52 MET ME 5.50 (# 1874:20 Unique 2.83, 4.93 A)
&rst
ixpk= 1874, nxpk= 20, iat= 756, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 803, 804, 805,
&end
#
# 0 AMB 20-2:1875 52 MET ME 4.50 (# 1875:20 Single Ambig)
&rst
ixpk= 1875, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 792,1615,1540,
igr2= 803, 804, 805,
&end
#
# 72 GLY HN 120 ILE MG2 4.50 (# 1876:20 Unique 2.86, 3.88 A)
&rst
ixpk= 1876, nxpk= 20, iat=1107, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1870,1871,1872,
&end
#
# 120 ILE HN 120 ILE MG2 4.50 (# 1877:20 Unique 4.35, 4.58 A)
&rst
ixpk= 1877, nxpk= 20, iat=1864, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1870,1871,1872,
&end
#
# 121 PRO HD+ 120 ILE MG2 3.50 (# 1878:20 Unique 2.00, 3.63 A)
&rst
ixpk= 1878, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1884,1885,
igr2=1870,1871,1872,
&end
#
# 71 PRO HA 120 ILE MG2 2.80 (# 1879:20 Unique 1.97, 2.77 A)
&rst
ixpk= 1879, nxpk= 20, iat=1103, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1870,1871,1872,
&end
#
# 157 ILE HN 157 ILE MG2 4.50 (# 1880:20 Unique 4.40, 4.58 A)
&rst
ixpk= 1880, nxpk= 20, iat=2414, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2420,2421,2422,
&end
#
# 36 VAL HA 3 ILE MG2 4.50 (# 1881:20 Unique 2.80, 3.80 A)
&rst
ixpk= 1881, nxpk= 20, iat= 579, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 51, 52, 53,
&end
#
# 0 AMB 20-2:1882 3 ILE MG2 4.50 (# 1882:20 Single Ambig)
&rst
ixpk= 1882, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 593, 45,
igr2= 51, 52, 53,
&end
#
# 4 LEU HN 3 ILE MG2 3.50 (# 1883:20 Unique 2.05, 3.20 A)
&rst
ixpk= 1883, nxpk= 20, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 51, 52, 53,
&end
#
# 3 ILE HA 3 ILE MG2 3.50 (# 1884:20 Unique 2.48, 3.22 A)
&rst
ixpk= 1884, nxpk= 20, iat= 47, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 51, 52, 53,
&end
#
# 139 GLU HN 138 ILE MG2 4.50 (# 1885:20 Unique 3.33, 4.26 A)
&rst
ixpk= 1885, nxpk= 20, iat=2152, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2139,2140,2141,
&end
#
# 0 AMB 20-2:1886 138 ILE MG2 4.50 (# 1886:20 Single Ambig)
&rst
ixpk= 1886, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=2133, 442, 443,
igr2=2139,2140,2141,
&end
#
# 139 GLU HA 138 ILE MG2 4.50 (# 1887:20 Unique 3.24, 4.40 A)
&rst
ixpk= 1887, nxpk= 20, iat=2154, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2139,2140,2141,
&end
#
# 46 MET HN 46 MET ME 5.50 (# 1888:20 Unique 4.95, 6.14 A)
&rst
ixpk= 1888, nxpk= 20, iat= 703, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 714, 715, 716,
&end
#
# 49 LEU HN 46 MET ME 5.50 (# 1889:20 Unique 4.58, 5.88 A)
&rst
ixpk= 1889, nxpk= 20, iat= 754, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 714, 715, 716,
&end
#
# 0 AMB 20-2:1891 46 MET ME 5.50 (# 1891:20 Single Ambig)
&rst
ixpk= 1891, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1556, 735,1575,1518,
igr2= 714, 715, 716,
&end
#
# 0 AMB 20-2:1892 46 MET ME 4.50 (# 1892:20 Single Ambig)
&rst
ixpk= 1892, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1540,1586,
igr2= 714, 715, 716,
&end
#
# 99 ASP HA 46 MET ME 5.50 (# 1893:20 Unique 4.22, 6.02 A)
&rst
ixpk= 1893, nxpk= 20, iat=1530, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 714, 715, 716,
&end
#
# 46 MET HA 46 MET ME 4.50 (# 1894:20 Unique 3.47, 4.72 A)
&rst
ixpk= 1894, nxpk= 20, iat= 705, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 714, 715, 716,
&end
#
# 0 AMB 20-2:1895 46 MET ME 5.50 (# 1895:20 Single Ambig)
&rst
ixpk= 1895, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1=1494,1495,1579,1580,1558,
igr2= 714, 715, 716,
&end
#
# 100 VAL HA 46 MET ME 3.50 (# 1896:20 Unique 1.99, 3.21 A)
&rst
ixpk= 1896, nxpk= 20, iat=1542, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 714, 715, 716,
&end
#
# 74 MET HN 74 MET ME 5.50 (# 1897:20 Unique 4.23, 5.56 A)
&rst
ixpk= 1897, nxpk= 20, iat=1128, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1139,1140,1141,
&end
#
# 144 GLN HN 74 MET ME 4.50 (# 1898:20 Unique 3.47, 4.74 A)
&rst
ixpk= 1898, nxpk= 20, iat=2225, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1139,1140,1141,
&end
#
# 74 MET HA 74 MET ME 5.50 (# 1899:20 Unique 4.62, 5.81 A)
&rst
ixpk= 1899, nxpk= 20, iat=1130, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1139,1140,1141,
&end
#
# 141 ALA HN 74 MET ME 4.50 (# 1901:20 Unique 3.67, 5.31 A)
&rst
ixpk= 1901, nxpk= 20, iat=2181, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1139,1140,1141,
&end
#
# 144 GLN HE2- 74 MET ME 4.50 (# 1902:20 Unique 3.88, 6.34 A)
&rst
ixpk= 1902, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2237,2238,
igr2=1139,1140,1141,
&end
#
# 144 GLN HE2+ 74 MET ME 5.50 (# 1903:20 Unique 3.88, 6.34 A)
&rst
ixpk= 1903, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2237,2238,
igr2=1139,1140,1141,
&end
#
# 140 PRO HA 74 MET ME 4.50 (# 1904:20 Unique 2.90, 4.32 A)
&rst
ixpk= 1904, nxpk= 20, iat=2177, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1139,1140,1141,
&end
#
# 0 AMB 20-2:1905 74 MET ME 3.50 (# 1905:20 Single Ambig)
&rst
ixpk= 1905, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2183,2227,
igr2=1139,1140,1141,
&end
#
# 0 AMB 20-2:1906 120 ILE MG2 4.50 (# 1906:20 Single Ambig)
&rst
ixpk= 1906, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1065,1114,
igr2=1870,1871,1872,
&end
#
# 120 ILE HA 120 ILE MG2 3.50 (# 1907:20 Unique 2.08, 2.94 A)
&rst
ixpk= 1907, nxpk= 20, iat=1866, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1870,1871,1872,
&end
#
# 0 AMB 20-2:1908 157 ILE MG2 3.50 (# 1908:20 Single Ambig)
&rst
ixpk= 1908, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2475,2476,2475,2476,2434,2435,
igr2=2420,2421,2422,
&end
#
# 158 PRO HD+ 157 ILE MG2 3.50 (# 1909:20 Unique 2.17, 3.87 A)
&rst
ixpk= 1909, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2434,2435,
igr2=2420,2421,2422,
&end
#
# 22 ILE HN 22 ILE MD1 4.50 (# 1910:20 Unique 2.50, 3.74 A)
&rst
ixpk= 1910, nxpk= 20, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 349, 350, 351,
&end
#
# 74 MET HN 137 MET ME 4.50 (# 1911:20 Unique 1.94, 3.21 A)
&rst
ixpk= 1911, nxpk= 20, iat=1128, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2127,2128,2129,
&end
#
# 141 ALA HN 137 MET ME 5.50 (# 1912:20 Unique 2.53, 4.83 A)
&rst
ixpk= 1912, nxpk= 20, iat=2181, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2127,2128,2129,
&end
#
# 137 MET HN 137 MET ME 5.50 (# 1913:20 Unique 4.04, 5.20 A)
&rst
ixpk= 1913, nxpk= 20, iat=2116, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2127,2128,2129,
&end
#
# 74 MET HA 137 MET ME 5.50 (# 1914:20 Unique 2.23, 3.54 A)
&rst
ixpk= 1914, nxpk= 20, iat=1130, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2127,2128,2129,
&end
#
# 137 MET HA 137 MET ME 3.50 (# 1915:20 Unique 1.91, 3.16 A)
&rst
ixpk= 1915, nxpk= 20, iat=2118, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2127,2128,2129,
&end
#
# 0 AMB 20-2:1916 137 MET ME 5.50 (# 1916:20 Single Ambig)
&rst
ixpk= 1916, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2177,1827, 291, 292,
igr2=2127,2128,2129,
&end
#
# 73 THR HA 137 MET ME 4.50 (# 1917:20 Unique 1.96, 3.69 A)
&rst
ixpk= 1917, nxpk= 20, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2127,2128,2129,
&end
#
# 0 AMB 20-2:1918 137 MET ME 5.50 (# 1918:20 Single Ambig)
&rst
ixpk= 1918, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=2168,2169, 272,
igr2=2127,2128,2129,
&end
#
# 140 PRO HD- 137 MET ME 5.50 (# 1919:20 Unique 3.84, 5.41 A)
&rst
ixpk= 1919, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2168,2169,
igr2=2127,2128,2129,
&end
#
# 59 ILE HA 59 ILE MD1 5.50 (# 1920:20 Unique 2.52, 4.59 A)
&rst
ixpk= 1920, nxpk= 20, iat= 907, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 918, 919, 920,
&end
#
# 149 LEU HN 59 ILE MD1 5.50 (# 1921:20 Unique 3.31, 4.71 A)
&rst
ixpk= 1921, nxpk= 20, iat=2297, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 918, 919, 920,
&end
#
# 0 AMB 20-2:1922 59 ILE MD1 4.50 (# 1922:20 Single Ambig)
&rst
ixpk= 1922, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2299,2260,
igr2= 918, 919, 920,
&end
#
# 0 AMB 20-2:1923 59 ILE MD1 4.50 (# 1923:20 Single Ambig)
&rst
ixpk= 1923, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 905,1792,
igr2= 918, 919, 920,
&end
#
# 115 THR HB 59 ILE MD1 5.50 (# 1924:20 Unique 3.27, 5.34 A)
&rst
ixpk= 1924, nxpk= 20, iat=1796, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 918, 919, 920,
&end
#
# 35 TYR HD 3 ILE MD1 4.50 (# 1925:20 Unique 1.92, 4.68 A)
&rst
ixpk= 1925, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 564, 573,
igr2= 58, 59, 60,
&end
#
# 35 TYR HE 3 ILE MD1 3.50 (# 1926:20 Unique 2.38, 5.29 A)
&rst
ixpk= 1926, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 566, 571,
igr2= 58, 59, 60,
&end
#
# 3 ILE HA 3 ILE MD1 5.50 (# 1927:20 Unique 3.73, 4.30 A)
&rst
ixpk= 1927, nxpk= 20, iat= 47, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 58, 59, 60,
&end
#
# 152 SER HB+ 3 ILE MD1 4.50 (# 1928:20 Unique 3.39, 5.57 A)
&rst
ixpk= 1928, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2359,2360,
igr2= 58, 59, 60,
&end
#
# 152 SER HB- 3 ILE MD1 4.50 (# 1929:20 Unique 3.39, 5.57 A)
&rst
ixpk= 1929, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2359,2360,
igr2= 58, 59, 60,
&end
#
# 0 AMB 20-2:1930 18 ILE MD1 4.50 (# 1930:20 Single Ambig)
&rst
ixpk= 1930, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2133, 270,
igr2= 283, 284, 285,
&end
#
# 18 ILE HA 18 ILE MD1 3.50 (# 1931:20 Unique 1.87, 2.87 A)
&rst
ixpk= 1931, nxpk= 20, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 283, 284, 285,
&end
#
# 12 LEU HN 11 ILE MD1 5.50 (# 1933:20 Unique 2.62, 5.53 A)
&rst
ixpk= 1933, nxpk= 20, iat= 181, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 175, 176, 177,
&end
#
# 0 AMB 20-2:1934 11 ILE MD1 4.50 (# 1934:20 Single Ambig)
&rst
ixpk= 1934, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 164, 262,
igr2= 175, 176, 177,
&end
#
# 60 ILE HN 60 ILE MD1 5.50 (# 1935:20 Unique 3.20, 4.23 A)
&rst
ixpk= 1935, nxpk= 20, iat= 924, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 937, 938, 939,
&end
#
# 86 PHE HD 60 ILE MD1 4.50 (# 1936:20 Unique 6.35, 8.21 A)
&rst
ixpk= 1936, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1333,1341,
igr2= 937, 938, 939,
&end
#
# 86 PHE HE 60 ILE MD1 5.50 (# 1937:20 Unique 4.03, 6.10 A)
&rst
ixpk= 1937, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1335,1339,
igr2= 937, 938, 939,
&end
#
# 60 ILE HA 60 ILE MD1 5.50 (# 1938:20 Unique 4.35, 4.63 A)
&rst
ixpk= 1938, nxpk= 20, iat= 926, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 937, 938, 939,
&end
#
# 38 ILE HA 38 ILE MD1 5.50 (# 1939:20 Unique 3.46, 4.44 A)
&rst
ixpk= 1939, nxpk= 20, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 621, 622, 623,
&end
#
# 27 GLU HA 38 ILE MD1 3.50 (# 1940:20 Unique 2.89, 4.32 A)
&rst
ixpk= 1940, nxpk= 20, iat= 417, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 621, 622, 623,
&end
#
# 27 GLU HN 38 ILE MD1 4.50 (# 1941:20 Unique 3.22, 5.05 A)
&rst
ixpk= 1941, nxpk= 20, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 621, 622, 623,
&end
#
# 0 AMB 20-2:1942 0 AMB 20-1:1942 4.50 (# 1942:20 Double Ambig)
&rst
ixpk= 1942, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1181,2191,
igr2=1175,1176,1177,2146,2147,2148,
&end
#
# 118 GLY HN 76 ILE MD1 5.50 (# 1943:20 Unique 4.60, 5.49 A)
&rst
ixpk= 1943, nxpk= 20, iat=1841, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1175,1176,1177,
&end
#
# 76 ILE HN 76 ILE MD1 4.50 (# 1944:20 Unique 2.54, 3.73 A)
&rst
ixpk= 1944, nxpk= 20, iat=1162, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1175,1176,1177,
&end
#
# 76 ILE HA 76 ILE MD1 3.50 (# 1945:20 Unique 1.95, 2.95 A)
&rst
ixpk= 1945, nxpk= 20, iat=1164, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1175,1176,1177,
&end
#
# 75 MET HA 76 ILE MD1 5.50 (# 1946:20 Unique 2.93, 4.56 A)
&rst
ixpk= 1946, nxpk= 20, iat=1147, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1175,1176,1177,
&end
#
# 117 VAL HA 76 ILE MD1 3.50 (# 1947:20 Unique 3.18, 4.49 A)
&rst
ixpk= 1947, nxpk= 20, iat=1827, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1175,1176,1177,
&end
#
# 0 AMB 20-2:1948 0 AMB 20-1:1948 3.50 (# 1948:20 Double Ambig)
&rst
ixpk= 1948, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 314,2227,2183, 388,
igr2=2146,2147,2148,1175,1176,1177,
&end
#
# 31 ILE HN 31 ILE MD1 5.50 (# 1949:20 Unique 3.69, 4.29 A)
&rst
ixpk= 1949, nxpk= 20, iat= 492, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 505, 506, 507,
&end
#
# 31 ILE HA 31 ILE MD1 4.50 (# 1950:20 Unique 1.98, 2.96 A)
&rst
ixpk= 1950, nxpk= 20, iat= 494, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 505, 506, 507,
&end
#
# 0 AMB 20-2:1951 31 ILE MD1 3.50 (# 1951:20 Single Ambig)
&rst
ixpk= 1951, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2449, 432,
igr2= 505, 506, 507,
&end
#
# 64 ILE HN 64 ILE MD1 5.50 (# 1952:20 Unique 2.26, 3.62 A)
&rst
ixpk= 1952, nxpk= 20, iat= 975, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 988, 989, 990,
&end
#
# 138 ILE HN 138 ILE MD1 4.50 (# 1953:20 Unique 3.72, 4.36 A)
&rst
ixpk= 1953, nxpk= 20, iat=2133, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2146,2147,2148,
&end
#
# 135 GLU HA 138 ILE MD1 4.50 (# 1954:20 Unique 3.48, 5.38 A)
&rst
ixpk= 1954, nxpk= 20, iat=2093, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2146,2147,2148,
&end
#
# 10 ASN HD2- 128 ILE MD1 5.50 (# 1956:20 Unique 6.29, 7.87 A)
&rst
ixpk= 1956, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 157, 158,
igr2=2001,2002,2003,
&end
#
# 118 GLY HN 64 ILE MD1 5.50 (# 1957:20 Unique 3.70, 4.68 A)
&rst
ixpk= 1957, nxpk= 20, iat=1841, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 988, 989, 990,
&end
#
# 118 GLY HA+ 64 ILE MD1 4.50 (# 1958:20 Unique 1.94, 3.41 A)
&rst
ixpk= 1958, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1843,1844,
igr2= 988, 989, 990,
&end
#
# 64 ILE HA 64 ILE MD1 4.50 (# 1959:20 Unique 3.72, 4.53 A)
&rst
ixpk= 1959, nxpk= 20, iat= 977, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 988, 989, 990,
&end
#
# 67 LYS HA 90 ILE MD1 5.50 (# 1960:20 Unique 1.99, 5.21 A)
&rst
ixpk= 1960, nxpk= 20, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1408,1409,1410,
&end
#
# 90 ILE HA 90 ILE MD1 3.50 (# 1961:20 Unique 2.01, 4.21 A)
&rst
ixpk= 1961, nxpk= 20, iat=1397, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1408,1409,1410,
&end
#
# 0 AMB 20-2:1962 157 ILE MD1 5.50 (# 1962:20 Single Ambig)
&rst
ixpk= 1962, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 531, 532,2475,2476,2475,2476,
igr2=2427,2428,2429,
&end
#
# 0 AMB 20-2:1963 120 ILE MD1 4.50 (# 1963:20 Single Ambig)
&rst
ixpk= 1963, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1074,1075, 975,1065,
igr2=1877,1878,1879,
&end
#
# 120 ILE HA 120 ILE MD1 4.50 (# 1964:20 Unique 2.08, 3.13 A)
&rst
ixpk= 1964, nxpk= 20, iat=1866, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1877,1878,1879,
&end
#
# 73 THR HB 120 ILE MD1 4.50 (# 1965:20 Unique 3.31, 5.28 A)
&rst
ixpk= 1965, nxpk= 20, iat=1118, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1877,1878,1879,
&end
#
# 120 ILE HN 120 ILE MD1 5.50 (# 1966:20 Unique 2.76, 3.71 A)
&rst
ixpk= 1966, nxpk= 20, iat=1864, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1877,1878,1879,
&end
#
# 33 PRO HD+ 32 LEU HB- 4.50 (# 1968:20 Unique 1.85, 3.35 A)
&rst
ixpk= 1968, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 531, 532,
igr2= 515, 516,
&end
#
# 99 ASP HB+ 95 LEU HB- 5.50 (# 1969:20 Unique 4.98, 7.09 A)
&rst
ixpk= 1969, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1532,1533,
igr2=1477,1478,
&end
#
# 75 MET HG- 75 MET HB- 4.50 (# 1970:20 Unique 2.29, 2.72 A)
&rst
ixpk= 1970, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1152,1153,
igr2=1149,1150,
&end
#
# 0 AMB 20-2:1971 74 MET HB- 3.50 (# 1971:20 Single Ambig)
&rst
ixpk= 1971, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1135,1136,2171,2172,
igr2=1132,1133,
&end
#
# 15 ASP HB- 121 PRO HB- 4.50 (# 1972:20 Unique 1.89, 2.76 A)
&rst
ixpk= 1972, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 237, 238,
igr2=1890,1891,
&end
#
# 52 MET HG+ 52 MET HB- 4.50 (# 1973:20 Unique 2.21, 2.71 A)
&rst
ixpk= 1973, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 799, 800,
igr2= 796, 797,
&end
#
# 15 ASP HB+ 121 PRO HB- 4.50 (# 1974:20 Unique 1.89, 2.76 A)
&rst
ixpk= 1974, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 237, 238,
igr2=1890,1891,
&end
#
# 0 AMB 20-2:1975 78 ARG HB- 4.50 (# 1975:20 Single Ambig)
&rst
ixpk= 1975, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1210,1211,1210,1211,
igr2=1204,1205,
&end
#
# 0 AMB 20-2:1976 1 MET HB- 4.50 (# 1976:20 Single Ambig)
&rst
ixpk= 1976, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 11, 12, 861, 862,
igr2= 8, 9,
&end
#
# 1 MET HG+ 1 MET HB+ 4.50 (# 1977:20 Unique 2.25, 2.70 A)
&rst
ixpk= 1977, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 11, 12,
igr2= 8, 9,
&end
#
# 1 MET HG- 1 MET HB+ 4.50 (# 1978:20 Unique 2.25, 2.70 A)
&rst
ixpk= 1978, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 11, 12,
igr2= 8, 9,
&end
#
# 159 ARG HD- 159 ARG HB+ 4.50 (# 1979:20 Unique 2.00, 3.21 A)
&rst
ixpk= 1979, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2457,2458,
igr2=2451,2452,
&end
#
# 159 ARG HD+ 159 ARG HB+ 5.50 (# 1980:20 Unique 2.00, 3.21 A)
&rst
ixpk= 1980, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2457,2458,
igr2=2451,2452,
&end
#
# 159 ARG HD+ 159 ARG HB- 4.50 (# 1981:20 Unique 2.00, 3.21 A)
&rst
ixpk= 1981, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2457,2458,
igr2=2451,2452,
&end
#
# 0 AMB 20-2:1982 0 AMB 20-1:1982 2.80 (# 1982:20 Double Ambig)
&rst
ixpk= 1982, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1949,1950,1949,1950,
igr2=1946,1947,1946,1947,
&end
#
# 113 LYS HE- 113 LYS HD+ 4.50 (# 1983:20 Unique 2.22, 2.62 A)
&rst
ixpk= 1983, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1764,1765,
igr2=1761,1762,
&end
#
# 113 LYS HE+ 113 LYS HD- 5.50 (# 1984:20 Unique 2.22, 2.62 A)
&rst
ixpk= 1984, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1764,1765,
igr2=1761,1762,
&end
#
# 0 AMB 20-2:1986 0 AMB 20-1:1986 2.80 (# 1986:20 Double Ambig)
&rst
ixpk= 1986, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1056,1057,1056,1057,
igr2=1053,1054,1053,1054,
&end
#
# 69 ASN HB- 0 AMB 20-1:1989 5.50 (# 1989:20 Single Ambig)
&rst
ixpk= 1989, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1069,1070,
igr2=1053,1054,1053,1054,
&end
#
# 159 ARG HD+ 159 ARG HG- 4.50 (# 1991:20 Unique 2.22, 2.65 A)
&rst
ixpk= 1991, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2457,2458,
igr2=2454,2455,
&end
#
# 159 ARG HD- 159 ARG HG- 3.50 (# 1992:20 Unique 2.22, 2.65 A)
&rst
ixpk= 1992, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2457,2458,
igr2=2454,2455,
&end
#
# 159 ARG HD+ 159 ARG HG- 4.50 (# 1993:20 Unique 2.22, 2.65 A)
&rst
ixpk= 1993, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2457,2458,
igr2=2454,2455,
&end
#
# 159 ARG HD+ 159 ARG HG+ 4.50 (# 1994:20 Unique 2.22, 2.65 A)
&rst
ixpk= 1994, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2457,2458,
igr2=2454,2455,
&end
#
# 113 LYS HE+ 113 LYS HD+ 4.50 (# 1995:20 Unique 2.22, 2.62 A)
&rst
ixpk= 1995, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1764,1765,
igr2=1761,1762,
&end
#
# 113 LYS HE+ 113 LYS HD- 5.50 (# 1996:20 Unique 2.22, 2.62 A)
&rst
ixpk= 1996, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1764,1765,
igr2=1761,1762,
&end
#
# 113 LYS HE- 113 LYS HD- 4.50 (# 1997:20 Unique 2.22, 2.62 A)
&rst
ixpk= 1997, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1764,1765,
igr2=1761,1762,
&end
#
# 0 AMB 20-2:1998 0 AMB 20-1:1998 2.80 (# 1998:20 Double Ambig)
&rst
ixpk= 1998, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1742,1743,1742,1743,
igr2=1739,1740,1739,1740,
&end
#
# 0 AMB 20-2:1999 0 AMB 20-1:1999 3.50 (# 1999:20 Double Ambig)
&rst
ixpk= 1999, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1733,1734,1733,1734,
igr2=1739,1740,1739,1740,
&end
#
# 150 ARG HD+ 150 ARG HG+ 2.80 (# 2000:20 Unique 2.22, 2.68 A)
&rst
ixpk= 2000, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2326,2327,
igr2=2323,2324,
&end
#
# 57 HIS HB+ 3 ILE HG1+ 4.50 (# 2001:20 Unique 1.91, 2.75 A)
&rst
ixpk= 2001, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 873, 874,
igr2= 55, 56,
&end
#
# 111 PRO HD- 111 PRO HG- 4.50 (# 2002:20 Unique 2.30, 2.58 A)
&rst
ixpk= 2002, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1716,1717,
igr2=1719,1720,
&end
#
# 26 LEU HB+ 26 LEU MDY 3.50 (# 2003:20 Unique 1.96, 3.21 A)
&rst
ixpk= 2003, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 400, 401,
igr2= 405, 406, 407, 409, 410, 411,
&end
#
# 29 ARG HD- 29 ARG HG+ 5.50 (# 2004:20 Unique 2.22, 2.67 A)
&rst
ixpk= 2004, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 457, 458,
igr2= 454, 455,
&end
#
# 0 AMB 20-2:2005 0 AMB 20-1:2005 4.50 (# 2005:20 Double Ambig)
&rst
ixpk= 2005, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 537, 538, 400, 401,
igr2= 534, 535, 618, 619,
&end
#
# 33 PRO HD+ 33 PRO HG+ 4.50 (# 2006:20 Unique 2.30, 2.58 A)
&rst
ixpk= 2006, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 531, 532,
igr2= 534, 535,
&end
#
# 0 AMB 20-2:2007 114 LEU MDY 3.50 (# 2007:20 Single Ambig)
&rst
ixpk= 2007, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1270,1289,1290,
igr2=1782,1783,1784,1786,1787,1788,
&end
#
# 0 AMB 20-2:2008 0 AMB 20-1:2008 4.50 (# 2008:20 Double Ambig)
&rst
ixpk= 2008, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1625,1626,1625,1626,
igr2=1622,1623,1622,1623,
&end
#
# 0 AMB 20-2:2009 105 ARG HG- 5.50 (# 2009:20 Single Ambig)
&rst
ixpk= 2009, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1625,1626,1625,1626,
igr2=1622,1623,
&end
#
# 0 AMB 20-2:2010 105 ARG HG- 5.50 (# 2010:20 Single Ambig)
&rst
ixpk= 2010, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1625,1626,1625,1626,
igr2=1622,1623,
&end
#
# 0 AMB 20-2:2011 134 VAL MGY 3.50 (# 2011:20 Single Ambig)
&rst
ixpk= 2011, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 237, 238,1109,1110,
igr2=2081,2082,2083,2085,2086,2087,
&end
#
# 15 ASP HB- 134 VAL MGY 4.50 (# 2012:20 Unique 1.91, 3.98 A)
&rst
ixpk= 2012, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 237, 238,
igr2=2081,2082,2083,2085,2086,2087,
&end
#
# 0 AMB 20-2:2013 134 VAL MGY 2.80 (# 2013:20 Single Ambig)
&rst
ixpk= 2013, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=2079,2120,2121,2120,2121,
igr2=2081,2082,2083,2085,2086,2087,
&end
#
# 52 MET HG+ 58 LEU MDY 5.50 (# 2014:20 Unique 1.86, 3.77 A)
&rst
ixpk= 2014, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 799, 800,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 26 LEU HB+ 26 LEU HG 4.50 (# 2015:20 Unique 2.67, 2.83 A)
&rst
ixpk= 2015, nxpk= 20, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 400, 401,
&end
#
# 52 MET HG+ 6 LEU MDY 4.50 (# 2016:20 Unique 1.99, 4.43 A)
&rst
ixpk= 2016, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 799, 800,
igr2= 108, 109, 110, 112, 113, 114,
&end
#
# 51 ASP HB- 6 LEU MDY 4.50 (# 2017:20 Unique 1.95, 3.30 A)
&rst
ixpk= 2017, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 784, 785,
igr2= 108, 109, 110, 112, 113, 114,
&end
#
# 0 AMB 20-2:2018 104 LEU MDY 5.50 (# 2018:20 Single Ambig)
&rst
ixpk= 2018, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1716,1717,1699,1700,
igr2=1605,1606,1607,1609,1610,1611,
&end
#
# 0 AMB 20-2:2019 13 LEU MDY 4.50 (# 2019:20 Single Ambig)
&rst
ixpk= 2019, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 152, 153, 249, 250,
igr2= 209, 210, 211, 213, 214, 215,
&end
#
# 62 ASP HB+ 116 LEU MDY 4.50 (# 2020:20 Unique 2.73, 5.31 A)
&rst
ixpk= 2020, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 957, 958,
igr2=1815,1816,1817,1819,1820,1821,
&end
#
# 62 ASP HB- 116 LEU MDY 3.50 (# 2021:20 Unique 2.73, 5.31 A)
&rst
ixpk= 2021, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 957, 958,
igr2=1815,1816,1817,1819,1820,1821,
&end
#
# 83 PRO HB+ 101 LEU MDY 4.50 (# 2022:20 Unique 1.97, 4.88 A)
&rst
ixpk= 2022, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1289,1290,
igr2=1565,1566,1567,1569,1570,1571,
&end
#
# 0 AMB 20-2:2023 0 AMB 20-1:2023 4.50 (# 2023:20 Double Ambig)
&rst
ixpk= 2023, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1286,1287, 400, 401,
igr2=1565,1566,1567,1569,1570,1571, 520, 521, 522, 524,
525, 526,
&end
#
# 112 LYS HE+ 112 LYS HG+ 4.50 (# 2024:20 Unique 2.06, 3.01 A)
&rst
ixpk= 2024, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1742,1743,
igr2=1736,1737,
&end
#
# 112 LYS HB+ 112 LYS HG+ 4.50 (# 2025:20 Unique 2.21, 2.68 A)
&rst
ixpk= 2025, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1733,1734,
igr2=1736,1737,
&end
#
# 112 LYS HE+ 112 LYS HG- 4.50 (# 2026:20 Unique 2.06, 3.01 A)
&rst
ixpk= 2026, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1742,1743,
igr2=1736,1737,
&end
#
# 112 LYS HB+ 112 LYS HG- 4.50 (# 2027:20 Unique 2.21, 2.68 A)
&rst
ixpk= 2027, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1733,1734,
igr2=1736,1737,
&end
#
# 52 MET HG+ 58 LEU MDX 5.50 (# 2028:20 Unique 1.86, 3.77 A)
&rst
ixpk= 2028, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 799, 800,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 0 AMB 20-2:2029 0 AMB 20-1:2029 4.50 (# 2029:20 Double Ambig)
&rst
ixpk= 2029, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 457, 458, 457, 458,
igr2=2200,2201,2202,2204,2205,2206,2200,2201,2202,2204,
2205,2206,
&end
#
# 0 AMB 20-2:2030 0 AMB 20-1:2030 3.50 (# 2030:20 Double Ambig)
&rst
ixpk= 2030, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2246,2159,2160,2159,2160,
igr2=2200,2201,2202,2204,2205,2206,2200,2201,2202,2204,
2205,2206,
&end
#
# 51 ASP HB- 39 LEU MDY 3.50 (# 2031:20 Unique 2.97, 5.21 A)
&rst
ixpk= 2031, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 784, 785,
igr2= 636, 637, 638, 640, 641, 642,
&end
#
# 15 ASP HB- 130 LEU MDX 4.50 (# 2032:20 Unique 3.57, 7.12 A)
&rst
ixpk= 2032, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 237, 238,
igr2=2023,2024,2025,2027,2028,2029,
&end
#
# 0 AMB 20-2:2033 0 AMB 20-1:2033 4.50 (# 2033:20 Double Ambig)
&rst
ixpk= 2033, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1056,1057,1056,1057,
igr2=1050,1051,1050,1051,
&end
#
# 68 LYS HE+ 67 LYS HG+ 2.80 (# 2034:20 Unique 1.98, 4.00 A)
&rst
ixpk= 2034, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1056,1057,
igr2=1028,1029,
&end
#
# 113 LYS HE- 113 LYS HG+ 5.50 (# 2036:20 Unique 2.17, 3.43 A)
&rst
ixpk= 2036, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1764,1765,
igr2=1758,1759,
&end
#
# 0 AMB 20-2:2037 146 LEU MDX 5.50 (# 2037:20 Single Ambig)
&rst
ixpk= 2037, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 400, 401,2217,2218,
igr2=2267,2268,2269,2271,2272,2273,
&end
#
# 83 PRO HG+ 114 LEU MDX 5.50 (# 2038:20 Unique 3.91, 6.87 A)
&rst
ixpk= 2038, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1286,1287,
igr2=1782,1783,1784,1786,1787,1788,
&end
#
# 30 TYR HB- 32 LEU MDX 5.50 (# 2039:20 Unique 2.90, 4.34 A)
&rst
ixpk= 2039, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 475, 476,
igr2= 520, 521, 522, 524, 525, 526,
&end
#
# 33 PRO HD+ 32 LEU MDX 4.50 (# 2040:20 Unique 2.54, 4.74 A)
&rst
ixpk= 2040, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 531, 532,
igr2= 520, 521, 522, 524, 525, 526,
&end
#
# 30 TYR HB+ 32 LEU MDX 5.50 (# 2041:20 Unique 2.90, 4.34 A)
&rst
ixpk= 2041, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 475, 476,
igr2= 520, 521, 522, 524, 525, 526,
&end
#
# 15 ASP HB+ 124 LEU MDX 4.50 (# 2042:20 Unique 1.98, 5.43 A)
&rst
ixpk= 2042, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 237, 238,
igr2=1932,1933,1934,1936,1937,1938,
&end
#
# 0 AMB 20-2:2043 124 LEU MDX 2.80 (# 2043:20 Single Ambig)
&rst
ixpk= 2043, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 249, 250, 252, 253, 252, 253,
igr2=1932,1933,1934,1936,1937,1938,
&end
#
# 16 GLU HB+ 124 LEU MDX 3.50 (# 2044:20 Unique 1.93, 5.15 A)
&rst
ixpk= 2044, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 249, 250,
igr2=1932,1933,1934,1936,1937,1938,
&end
#
# 79 ASP HB- 114 LEU MDX 5.50 (# 2045:20 Unique 2.92, 5.19 A)
&rst
ixpk= 2045, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1228,1229,
igr2=1782,1783,1784,1786,1787,1788,
&end
#
# 67 LYS HE+ 85 LEU MDX 4.50 (# 2046:20 Unique 1.99, 5.41 A)
&rst
ixpk= 2046, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1034,1035,
igr2=1315,1316,1317,1319,1320,1321,
&end
#
# 0 AMB 20-2:2047 82 VAL MGX 3.50 (# 2047:20 Single Ambig)
&rst
ixpk= 2047, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1270,1289,1290,
igr2=1272,1273,1274,1276,1277,1278,
&end
#
# 0 AMB 20-2:2048 82 VAL MGX 4.50 (# 2048:20 Single Ambig)
&rst
ixpk= 2048, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1255,1256,1258,1259,
igr2=1272,1273,1274,1276,1277,1278,
&end
#
# 0 AMB 20-2:2049 6 LEU MDX 4.50 (# 2049:20 Single Ambig)
&rst
ixpk= 2049, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 784, 785, 799, 800,
igr2= 108, 109, 110, 112, 113, 114,
&end
#
# 26 LEU HB+ 26 LEU MDX 4.50 (# 2050:20 Unique 1.96, 3.21 A)
&rst
ixpk= 2050, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 400, 401,
igr2= 405, 406, 407, 409, 410, 411,
&end
#
# 46 MET HG- 100 VAL MGX 5.50 (# 2051:20 Unique 1.98, 5.48 A)
&rst
ixpk= 2051, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 710, 711,
igr2=1546,1547,1548,1550,1551,1552,
&end
#
# 0 AMB 20-2:2052 4 LEU MDX 4.50 (# 2052:20 Single Ambig)
&rst
ixpk= 2052, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 784, 785, 600, 601,
igr2= 73, 74, 75, 77, 78, 79,
&end
#
# 30 TYR HB+ 26 LEU MDX 4.50 (# 2053:20 Unique 1.91, 5.35 A)
&rst
ixpk= 2053, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 475, 476,
igr2= 405, 406, 407, 409, 410, 411,
&end
#
# 15 ASP HB+ 131 THR MG2 5.50 (# 2054:20 Unique 1.87, 5.42 A)
&rst
ixpk= 2054, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 237, 238,
igr2=2039,2040,2041,
&end
#
# 134 VAL HB 131 THR MG2 4.50 (# 2055:20 Unique 1.87, 4.23 A)
&rst
ixpk= 2055, nxpk= 20, iat=2079, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2039,2040,2041,
&end
#
# 122 GLU HB+ 131 THR MG2 4.50 (# 2056:20 Unique 1.94, 3.95 A)
&rst
ixpk= 2056, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1901,1902,
igr2=2039,2040,2041,
&end
#
# 0 AMB 20-2:2057 134 VAL MGX 5.50 (# 2057:20 Single Ambig)
&rst
ixpk= 2057, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 237, 238,1109,1110,
igr2=2081,2082,2083,2085,2086,2087,
&end
#
# 15 ASP HB- 134 VAL MGX 4.50 (# 2058:20 Unique 1.91, 3.98 A)
&rst
ixpk= 2058, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 237, 238,
igr2=2081,2082,2083,2085,2086,2087,
&end
#
# 0 AMB 20-2:2059 134 VAL MGX 2.80 (# 2059:20 Single Ambig)
&rst
ixpk= 2059, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=2079,2120,2121,2120,2121,
igr2=2081,2082,2083,2085,2086,2087,
&end
#
# 33 PRO HD+ 36 VAL MGY 3.50 (# 2060:20 Unique 2.28, 4.08 A)
&rst
ixpk= 2060, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 531, 532,
igr2= 583, 584, 585, 587, 588, 589,
&end
#
# 0 AMB 20-2:2061 36 VAL MGY 5.50 (# 2061:20 Single Ambig)
&rst
ixpk= 2061, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 537, 538, 11, 12,
igr2= 583, 584, 585, 587, 588, 589,
&end
#
# 0 AMB 20-2:2062 48 LEU MDX 3.50 (# 2062:20 Single Ambig)
&rst
ixpk= 2062, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 727, 728, 727, 728,
igr2= 744, 745, 746, 748, 749, 750,
&end
#
# 145 VAL HB 145 VAL MGX 2.80 (# 2063:20 Unique 2.22, 2.63 A)
&rst
ixpk= 2063, nxpk= 20, iat=2246, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=2248,2249,2250,2252,2253,2254,
&end
#
# 145 VAL HB 145 VAL MGY 2.80 (# 2064:20 Unique 2.22, 2.63 A)
&rst
ixpk= 2064, nxpk= 20, iat=2246, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=2248,2249,2250,2252,2253,2254,
&end
#
# 72 GLY HA- 133 THR MG2 4.50 (# 2065:20 Unique 2.01, 3.52 A)
&rst
ixpk= 2065, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1109,1110,
igr2=2067,2068,2069,
&end
#
# 0 AMB 20-2:2066 82 VAL MGY 3.50 (# 2066:20 Single Ambig)
&rst
ixpk= 2066, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1270,1289,1290,
igr2=1272,1273,1274,1276,1277,1278,
&end
#
# 0 AMB 20-2:2067 87 THR MG2 5.50 (# 2067:20 Single Ambig)
&rst
ixpk= 2067, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1329,1330,1363,1364,
igr2=1351,1352,1353,
&end
#
# 122 GLU HB+ 133 THR MG2 5.50 (# 2068:20 Unique 2.52, 4.28 A)
&rst
ixpk= 2068, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1901,1902,
igr2=2067,2068,2069,
&end
#
# 71 PRO HG+ 133 THR MG2 5.50 (# 2069:20 Unique 3.07, 5.40 A)
&rst
ixpk= 2069, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1097,1098,
igr2=2067,2068,2069,
&end
#
# 0 AMB 20-2:2070 0 AMB 20-1:2070 5.50 (# 2070:20 Double Ambig)
&rst
ixpk= 2070, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 710, 711,1901,1902,
igr2=1546,1547,1548,1550,1551,1552,2067,2068,2069,
&end
#
# 137 MET HG- 119 VAL MGY 5.50 (# 2071:20 Unique 1.99, 4.83 A)
&rst
ixpk= 2071, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2123,2124,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 0 AMB 20-2:2072 119 VAL MGY 3.50 (# 2072:20 Single Ambig)
&rst
ixpk= 2072, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1109,1110, 237, 238,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 137 MET HG+ 119 VAL MGY 4.50 (# 2073:20 Unique 1.99, 4.83 A)
&rst
ixpk= 2073, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2123,2124,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 33 PRO HD+ 154 VAL MGX 3.50 (# 2074:20 Unique 2.66, 4.53 A)
&rst
ixpk= 2074, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 531, 532,
igr2=2379,2380,2381,2383,2384,2385,
&end
#
# 69 ASN HB+ 73 THR MG2 4.50 (# 2075:20 Unique 2.94, 4.91 A)
&rst
ixpk= 2075, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1069,1070,
igr2=1120,1121,1122,
&end
#
# 0 AMB 20-2:2076 73 THR MG2 3.50 (# 2076:20 Single Ambig)
&rst
ixpk= 2076, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1069,1070,1152,1153,
igr2=1120,1121,1122,
&end
#
# 10 ASN HB+ 43 THR MG2 4.50 (# 2077:20 Unique 2.80, 4.93 A)
&rst
ixpk= 2077, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 152, 153,
igr2= 678, 679, 680,
&end
#
# 10 ASN HB- 43 THR MG2 3.50 (# 2078:20 Unique 2.80, 4.93 A)
&rst
ixpk= 2078, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 152, 153,
igr2= 678, 679, 680,
&end
#
# 30 TYR HB- 156 ALA MB 3.50 (# 2079:20 Unique 2.61, 4.15 A)
&rst
ixpk= 2079, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 475, 476,
igr2=2408,2409,2410,
&end
#
# 30 TYR HB+ 156 ALA MB 4.50 (# 2080:20 Unique 2.61, 4.15 A)
&rst
ixpk= 2080, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 475, 476,
igr2=2408,2409,2410,
&end
#
# 21 ARG HD- 20 VAL MGX 4.50 (# 2081:20 Unique 2.30, 5.69 A)
&rst
ixpk= 2081, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 322, 323,
igr2= 302, 303, 304, 306, 307, 308,
&end
#
# 0 AMB 20-2:2082 20 VAL MGX 3.50 (# 2082:20 Single Ambig)
&rst
ixpk= 2082, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 378, 379, 650, 651,
igr2= 302, 303, 304, 306, 307, 308,
&end
#
# 74 MET HG- 119 VAL MGX 4.50 (# 2083:20 Unique 3.18, 6.44 A)
&rst
ixpk= 2083, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1135,1136,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 144 GLN HG+ 117 VAL MGX 5.50 (# 2084:20 Unique 1.95, 4.52 A)
&rst
ixpk= 2084, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2232,2233,
igr2=1831,1832,1833,1835,1836,1837,
&end
#
# 0 AMB 20-2:2085 117 VAL MGX 3.50 (# 2085:20 Single Ambig)
&rst
ixpk= 2085, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=2232,2233,1135,1136,
igr2=1831,1832,1833,1835,1836,1837,
&end
#
# 0 AMB 20-2:2086 117 VAL MGX 2.80 (# 2086:20 Single Ambig)
&rst
ixpk= 2086, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1135,1136,2229,2230,
igr2=1831,1832,1833,1835,1836,1837,
&end
#
# 54 ASN HB- 53 ALA MB 5.50 (# 2087:20 Unique 3.46, 5.41 A)
&rst
ixpk= 2087, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 823, 824,
igr2= 813, 814, 815,
&end
#
# 0 AMB 20-2:2088 44 ALA MB 3.50 (# 2088:20 Single Ambig)
&rst
ixpk= 2088, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 727, 728, 727, 728,
igr2= 690, 691, 692,
&end
#
# 0 AMB 20-2:2089 23 VAL MGY 4.50 (# 2089:20 Single Ambig)
&rst
ixpk= 2089, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 650, 651, 378, 379,
igr2= 361, 362, 363, 365, 366, 367,
&end
#
# 144 GLN HB+ 117 VAL MGY 3.50 (# 2092:20 Unique 2.49, 4.69 A)
&rst
ixpk= 2092, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2229,2230,
igr2=1831,1832,1833,1835,1836,1837,
&end
#
# 0 AMB 20-2:2093 63 ALA MB 3.50 (# 2093:20 Single Ambig)
&rst
ixpk= 2093, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 252, 253, 252, 253,
igr2= 969, 970, 971,
&end
#
# 62 ASP HB+ 8 VAL MGY 4.50 (# 2094:20 Unique 2.28, 5.39 A)
&rst
ixpk= 2094, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 957, 958,
igr2= 131, 132, 133, 135, 136, 137,
&end
#
# 0 AMB 20-2:2095 38 ILE MG2 4.50 (# 2095:20 Single Ambig)
&rst
ixpk= 2095, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 422, 423, 422, 423,
igr2= 614, 615, 616,
&end
#
# 137 MET HG- 136 ALA MB 5.50 (# 2096:20 Unique 3.83, 6.16 A)
&rst
ixpk= 2096, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2123,2124,
igr2=2110,2111,2112,
&end
#
# 86 PHE HB- 98 ALA MB 3.50 (# 2097:20 Unique 1.97, 3.07 A)
&rst
ixpk= 2097, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1329,1330,
igr2=1522,1523,1524,
&end
#
# 0 AMB 20-2:2098 84 ALA MB 4.50 (# 2098:20 Single Ambig)
&rst
ixpk= 2098, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1243,1244,1289,1290,
igr2=1300,1301,1302,
&end
#
# 0 AMB 20-2:2099 147 ALA MB 5.50 (# 2099:20 Single Ambig)
&rst
ixpk= 2099, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2347,2348,2232,2233,
igr2=2281,2282,2283,
&end
#
# 0 AMB 20-2:2100 147 ALA MB 4.50 (# 2100:20 Single Ambig)
&rst
ixpk= 2100, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=2217,2218,2214,2215,2229,2230,
igr2=2281,2282,2283,
&end
#
# 62 ASP HB+ 60 ILE MG2 4.50 (# 2101:20 Unique 2.94, 4.17 A)
&rst
ixpk= 2101, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 957, 958,
igr2= 930, 931, 932,
&end
#
# 62 ASP HB- 60 ILE MG2 4.50 (# 2102:20 Unique 2.94, 4.17 A)
&rst
ixpk= 2102, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 957, 958,
igr2= 930, 931, 932,
&end
#
# 52 MET HG+ 52 MET ME 4.50 (# 2104:20 Unique 2.27, 3.76 A)
&rst
ixpk= 2104, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 799, 800,
igr2= 803, 804, 805,
&end
#
# 57 HIS HB+ 3 ILE MG2 4.50 (# 2107:20 Unique 2.51, 4.70 A)
&rst
ixpk= 2107, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 873, 874,
igr2= 51, 52, 53,
&end
#
# 57 HIS HB+ 3 ILE MD1 5.50 (# 2108:20 Unique 3.66, 4.58 A)
&rst
ixpk= 2108, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 873, 874,
igr2= 58, 59, 60,
&end
#
# 0 AMB 20-2:2109 3 ILE MD1 5.50 (# 2109:20 Single Ambig)
&rst
ixpk= 2109, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 560, 561, 873, 874,
igr2= 58, 59, 60,
&end
#
# 1 MET HG+ 3 ILE MD1 5.50 (# 2110:20 Unique 1.90, 3.47 A)
&rst
ixpk= 2110, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 11, 12,
igr2= 58, 59, 60,
&end
#
# 1 MET HG- 3 ILE MD1 4.50 (# 2111:20 Unique 1.90, 3.47 A)
&rst
ixpk= 2111, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 11, 12,
igr2= 58, 59, 60,
&end
#
# 33 PRO HG- 33 PRO HB- 4.50 (# 2112:20 Unique 2.32, 2.58 A)
&rst
ixpk= 2112, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 534, 535,
igr2= 537, 538,
&end
#
# 33 PRO HG+ 33 PRO HB- 4.50 (# 2113:20 Unique 2.32, 2.58 A)
&rst
ixpk= 2113, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 534, 535,
igr2= 537, 538,
&end
#
# 0 AMB 20-2:2118 113 LYS HD- 2.80 (# 2118:20 Single Ambig)
&rst
ixpk= 2118, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1755,1756,1758,1759,
igr2=1761,1762,
&end
#
# 0 AMB 20-2:2119 0 AMB 20-1:2119 3.50 (# 2119:20 Double Ambig)
&rst
ixpk= 2119, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=2291,2292,2293, 909,
igr2= 915, 916, 915, 916,
&end
#
# 0 AMB 20-2:2120 31 ILE HG1- 5.50 (# 2120:20 Single Ambig)
&rst
ixpk= 2120, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2454,2455,2451,2452,
igr2= 502, 503,
&end
#
# 0 AMB 20-2:2121 130 LEU MDY 3.50 (# 2121:20 Single Ambig)
&rst
ixpk= 2121, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 316, 317, 316, 317,2095,2096,
igr2=2023,2024,2025,2027,2028,2029,
&end
#
# 130 LEU HG 130 LEU MDY 2.80 (# 2122:20 Unique 2.22, 2.63 A)
&rst
ixpk= 2122, nxpk= 20, iat=2021, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=2023,2024,2025,2027,2028,2029,
&end
#
# 0 AMB 20-2:2123 130 LEU MDY 3.50 (# 2123:20 Single Ambig)
&rst
ixpk= 2123, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 319, 320,2018,2019, 264, 265, 266,
igr2=2023,2024,2025,2027,2028,2029,
&end
#
# 130 LEU HB+ 130 LEU MDY 2.80 (# 2125:20 Unique 2.06, 3.46 A)
&rst
ixpk= 2125, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2018,2019,
igr2=2023,2024,2025,2027,2028,2029,
&end
#
# 5 VAL HB 26 LEU MDY 4.50 (# 2126:20 Unique 3.99, 5.98 A)
&rst
ixpk= 2126, nxpk= 20, iat= 87, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 405, 406, 407, 409, 410, 411,
&end
#
# 38 ILE HB 26 LEU MDY 5.50 (# 2127:20 Unique 4.34, 7.06 A)
&rst
ixpk= 2127, nxpk= 20, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 405, 406, 407, 409, 410, 411,
&end
#
# 0 AMB 20-2:2128 26 LEU MDY 2.80 (# 2128:20 Single Ambig)
&rst
ixpk= 2128, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 403, 518,
igr2= 405, 406, 407, 409, 410, 411,
&end
#
# 26 LEU HB- 26 LEU MDY 3.50 (# 2129:20 Unique 1.96, 3.21 A)
&rst
ixpk= 2129, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 400, 401,
igr2= 405, 406, 407, 409, 410, 411,
&end
#
# 31 ILE HB 31 ILE HG1- 3.50 (# 2130:20 Unique 2.42, 2.46 A)
&rst
ixpk= 2130, nxpk= 20, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 502, 503,
&end
#
# 0 AMB 20-2:2137 114 LEU MDY 2.80 (# 2137:20 Single Ambig)
&rst
ixpk= 2137, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1780, 928,
igr2=1782,1783,1784,1786,1787,1788,
&end
#
# 0 AMB 20-2:2139 114 LEU MDY 2.80 (# 2139:20 Single Ambig)
&rst
ixpk= 2139, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1777,1778,1716,1717,
igr2=1782,1783,1784,1786,1787,1788,
&end
#
# 114 LEU HB- 114 LEU MDY 2.80 (# 2140:20 Unique 2.32, 3.27 A)
&rst
ixpk= 2140, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1777,1778,
igr2=1782,1783,1784,1786,1787,1788,
&end
#
# 0 AMB 20-2:2141 58 LEU MDY 2.80 (# 2141:20 Single Ambig)
&rst
ixpk= 2141, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 840, 841,1777,1778, 106,1719,1720,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 0 AMB 20-2:2142 58 LEU MDY 2.80 (# 2142:20 Single Ambig)
&rst
ixpk= 2142, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 890, 891, 103, 104,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 0 AMB 20-2:2143 58 LEU MDY 2.80 (# 2143:20 Single Ambig)
&rst
ixpk= 2143, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 934, 935, 68, 69, 840, 841, 803, 804, 805,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 0 AMB 20-2:2144 58 LEU MDY 2.80 (# 2144:20 Single Ambig)
&rst
ixpk= 2144, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 837, 838, 893,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 39 LEU HB- 6 LEU MDY 2.80 (# 2146:20 Unique 1.97, 3.57 A)
&rst
ixpk= 2146, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 631, 632,
igr2= 108, 109, 110, 112, 113, 114,
&end
#
# 0 AMB 20-2:2147 104 LEU MDY 2.80 (# 2147:20 Single Ambig)
&rst
ixpk= 2147, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 796, 797,1603,
igr2=1605,1606,1607,1609,1610,1611,
&end
#
# 0 AMB 20-2:2148 104 LEU MDY 3.50 (# 2148:20 Single Ambig)
&rst
ixpk= 2148, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 803, 804, 805,1684,1685,
igr2=1605,1606,1607,1609,1610,1611,
&end
#
# 149 LEU HB+ 149 LEU MDY 3.50 (# 2149:20 Unique 2.05, 3.26 A)
&rst
ixpk= 2149, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2301,2302,
igr2=2306,2307,2308,2310,2311,2312,
&end
#
# 154 VAL HB 149 LEU MDY 4.50 (# 2150:20 Unique 2.43, 4.62 A)
&rst
ixpk= 2150, nxpk= 20, iat=2377, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2306,2307,2308,2310,2311,2312,
&end
#
# 149 LEU HG 149 LEU MDY 3.50 (# 2151:20 Unique 2.24, 2.63 A)
&rst
ixpk= 2151, nxpk= 20, iat=2304, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2306,2307,2308,2310,2311,2312,
&end
#
# 0 AMB 20-2:2152 48 LEU MDY 2.80 (# 2152:20 Single Ambig)
&rst
ixpk= 2152, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 739, 740, 103, 104,
igr2= 744, 745, 746, 748, 749, 750,
&end
#
# 101 LEU HG 101 LEU MDY 2.80 (# 2153:20 Unique 2.23, 2.63 A)
&rst
ixpk= 2153, nxpk= 20, iat=1563, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1565,1566,1567,1569,1570,1571,
&end
#
# 77 LEU HB- 116 LEU MDX 2.80 (# 2154:20 Unique 1.93, 4.49 A)
&rst
ixpk= 2154, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1185,1186,
igr2=1815,1816,1817,1819,1820,1821,
&end
#
# 0 AMB 20-2:2156 58 LEU MDX 2.80 (# 2156:20 Single Ambig)
&rst
ixpk= 2156, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 840, 841, 803, 804, 805,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 0 AMB 20-2:2157 0 AMB 20-1:2157 2.80 (# 2157:20 Double Ambig)
&rst
ixpk= 2157, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 837, 838, 204, 205, 893,1930,
igr2= 895, 896, 897, 899, 900, 901,1932,1933,1934,1936,
1937,1938,
&end
#
# 0 AMB 20-2:2158 77 LEU MDX 2.80 (# 2158:20 Single Ambig)
&rst
ixpk= 2158, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1310,1311,1188,1149,1150,
igr2=1190,1191,1192,1194,1195,1196,
&end
#
# 0 AMB 20-2:2159 77 LEU MDX 2.80 (# 2159:20 Single Ambig)
&rst
ixpk= 2159, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1313,1310,1311,
igr2=1190,1191,1192,1194,1195,1196,
&end
#
# 0 AMB 20-2:2160 0 AMB 20-1:2160 2.80 (# 2160:20 Double Ambig)
&rst
ixpk= 2160, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 803, 804, 805,1810,1811, 515, 516,
igr2=1565,1566,1567,1569,1570,1571,1815,1816,1817,1819,
1820,1821, 520, 521, 522, 524, 525, 526,
&end
#
# 0 AMB 20-2:2161 0 AMB 20-1:2161 2.80 (# 2161:20 Double Ambig)
&rst
ixpk= 2161, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1= 928,1185,1186, 403,1813, 518,1560,1561,
igr2=1815,1816,1817,1819,1820,1821, 520, 521, 522, 524,
525, 526,1565,1566,1567,1569,1570,1571,
&end
#
# 49 LEU HB+ 49 LEU MDX 2.80 (# 2162:20 Unique 1.96, 3.21 A)
&rst
ixpk= 2162, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 758, 759,
igr2= 763, 764, 765, 767, 768, 769,
&end
#
# 0 AMB 20-2:2163 0 AMB 20-1:2163 2.80 (# 2163:20 Double Ambig)
&rst
ixpk= 2163, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 928,1590,1591,1592, 761,
igr2=1815,1816,1817,1819,1820,1821, 763, 764, 765, 767,
768, 769,
&end
#
# 0 AMB 20-2:2164 0 AMB 20-1:2164 2.80 (# 2164:20 Double Ambig)
&rst
ixpk= 2164, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 758, 759,1810,1811,
igr2= 763, 764, 765, 767, 768, 769,1815,1816,1817,1819,
1820,1821,
&end
#
# 0 AMB 20-2:2166 0 AMB 20-1:2166 2.80 (# 2166:20 Double Ambig)
&rst
ixpk= 2166, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=2198, 451, 452, 451, 452,
igr2=2200,2201,2202,2204,2205,2206,2200,2201,2202,2204,
2205,2206,
&end
#
# 0 AMB 20-2:2167 12 LEU MDX 2.80 (# 2167:20 Single Ambig)
&rst
ixpk= 2167, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 185, 186, 185, 186, 188,
igr2= 190, 191, 192, 194, 195, 196,
&end
#
# 0 AMB 20-2:2168 0 AMB 20-1:2168 2.80 (# 2168:20 Double Ambig)
&rst
ixpk= 2168, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 390, 391, 392,1998,1999, 454, 455, 454, 455,
igr2=2200,2201,2202,2204,2205,2206,2200,2201,2202,2204,
2205,2206, 190, 191, 192, 194, 195, 196,
&end
#
# 46 MET ME 49 LEU MDX 2.80 (# 2169:20 Unique 1.97, 4.74 A)
&rst
ixpk= 2169, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 714, 715, 716,
igr2= 763, 764, 765, 767, 768, 769,
&end
#
# 0 AMB 20-2:2170 85 LEU MDY 5.50 (# 2170:20 Single Ambig)
&rst
ixpk= 2170, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
igr1=1156,1157,1158,1025,1026,1460,1461,1460,1461,
igr2=1315,1316,1317,1319,1320,1321,
&end
#
# 0 AMB 20-2:2171 85 LEU MDY 2.80 (# 2171:20 Single Ambig)
&rst
ixpk= 2171, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1310,1311, 985, 986,1313,
igr2=1315,1316,1317,1319,1320,1321,
&end
#
# 87 THR MG2 85 LEU MDY 4.50 (# 2172:20 Unique 5.79, 7.55 A)
&rst
ixpk= 2172, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1351,1352,1353,
igr2=1315,1316,1317,1319,1320,1321,
&end
#
# 0 AMB 20-2:2173 0 AMB 20-1:2173 2.80 (# 2173:20 Double Ambig)
&rst
ixpk= 2173, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=2195,2196,2195,2196,2195,2196, 346, 347,
igr2=2200,2201,2202,2204,2205,2206,2200,2201,2202,2204,
2205,2206,
&end
#
# 0 AMB 20-2:2174 12 LEU MDX 2.80 (# 2174:20 Single Ambig)
&rst
ixpk= 2174, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 172, 173, 172, 173,
igr2= 190, 191, 192, 194, 195, 196,
&end
#
# 81 GLU HB- 77 LEU MDY 3.50 (# 2175:20 Unique 1.89, 4.32 A)
&rst
ixpk= 2175, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1255,1256,
igr2=1190,1191,1192,1194,1195,1196,
&end
#
# 75 MET ME 77 LEU MDY 3.50 (# 2176:20 Unique 2.92, 5.64 A)
&rst
ixpk= 2176, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1156,1157,1158,
igr2=1190,1191,1192,1194,1195,1196,
&end
#
# 0 AMB 20-2:2178 77 LEU MDY 2.80 (# 2178:20 Single Ambig)
&rst
ixpk= 2178, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1310,1311,1188,1149,1150,
igr2=1190,1191,1192,1194,1195,1196,
&end
#
# 39 LEU HG 39 LEU MDY 2.80 (# 2180:20 Unique 2.22, 2.63 A)
&rst
ixpk= 2180, nxpk= 20, iat= 634, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 636, 637, 638, 640, 641, 642,
&end
#
# 0 AMB 20-2:2182 97 LEU MDX 4.50 (# 2182:20 Single Ambig)
&rst
ixpk= 2182, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1544,1460,1461, 796, 797,
igr2=1508,1509,1510,1512,1513,1514,
&end
#
# 101 LEU HG 97 LEU MDX 5.50 (# 2183:20 Unique 3.17, 5.44 A)
&rst
ixpk= 2183, nxpk= 20, iat=1563, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1508,1509,1510,1512,1513,1514,
&end
#
# 52 MET ME 97 LEU MDX 4.50 (# 2184:20 Unique 2.09, 5.49 A)
&rst
ixpk= 2184, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 803, 804, 805,
igr2=1508,1509,1510,1512,1513,1514,
&end
#
# 0 AMB 20-2:2185 97 LEU MDX 2.80 (# 2185:20 Single Ambig)
&rst
ixpk= 2185, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1506, 739, 740,
igr2=1508,1509,1510,1512,1513,1514,
&end
#
# 0 AMB 20-2:2186 95 LEU MDY 2.80 (# 2186:20 Single Ambig)
&rst
ixpk= 2186, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1383,1384,1477,1478,1480,
igr2=1482,1483,1484,1486,1487,1488,
&end
#
# 0 AMB 20-2:2187 146 LEU MDX 5.50 (# 2187:20 Single Ambig)
&rst
ixpk= 2187, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.25, r4=10.75,
igr1= 518,2281,2282,2283, 454, 455,2304,
igr2=2267,2268,2269,2271,2272,2273,
&end
#
# 0 AMB 20-2:2188 0 AMB 20-1:2188 2.80 (# 2188:20 Double Ambig)
&rst
ixpk= 2188, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1780,1380,1381, 928,
igr2=1782,1783,1784,1786,1787,1788,1482,1483,1484,1486,
1487,1488,
&end
#
# 0 AMB 20-2:2189 0 AMB 20-1:2189 3.50 (# 2189:20 Double Ambig)
&rst
ixpk= 2189, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
igr1=1289,1290, 581,1255,1256,2301,2302,
igr2=1272,1273,1274,1276,1277,1278, 520, 521, 522, 524,
525, 526,
&end
#
# 149 LEU HB+ 149 LEU MDX 3.50 (# 2190:20 Unique 2.05, 3.26 A)
&rst
ixpk= 2190, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2301,2302,
igr2=2306,2307,2308,2310,2311,2312,
&end
#
# 154 VAL HB 149 LEU MDX 4.50 (# 2191:20 Unique 2.43, 4.62 A)
&rst
ixpk= 2191, nxpk= 20, iat=2377, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2306,2307,2308,2310,2311,2312,
&end
#
# 149 LEU HG 149 LEU MDX 2.80 (# 2192:20 Unique 2.24, 2.63 A)
&rst
ixpk= 2192, nxpk= 20, iat=2304, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=2306,2307,2308,2310,2311,2312,
&end
#
# 146 LEU HB+ 146 LEU MDX 2.80 (# 2193:20 Unique 2.17, 3.25 A)
&rst
ixpk= 2193, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2262,2263,
igr2=2267,2268,2269,2271,2272,2273,
&end
#
# 146 LEU HG 146 LEU MDX 2.80 (# 2194:20 Unique 2.23, 2.63 A)
&rst
ixpk= 2194, nxpk= 20, iat=2265, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=2267,2268,2269,2271,2272,2273,
&end
#
# 0 AMB 20-2:2195 0 AMB 20-1:2195 2.80 (# 2195:20 Double Ambig)
&rst
ixpk= 2195, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1= 803, 804, 805,1383,1384,1477,1478,1477,1478,1480,
1810,1811,
igr2=1782,1783,1784,1786,1787,1788,1482,1483,1484,1486,
1487,1488,
&end
#
# 0 AMB 20-2:2196 114 LEU MDX 2.80 (# 2196:20 Single Ambig)
&rst
ixpk= 2196, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1777,1778,1716,1717,
igr2=1782,1783,1784,1786,1787,1788,
&end
#
# 0 AMB 20-2:2197 82 VAL MGX 4.50 (# 2197:20 Single Ambig)
&rst
ixpk= 2197, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1286,1287,1777,1778,1204,1205,
igr2=1272,1273,1274,1276,1277,1278,
&end
#
# 0 AMB 20-2:2198 82 VAL MGX 3.50 (# 2198:20 Single Ambig)
&rst
ixpk= 2198, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1185,1186,1777,1778,
igr2=1272,1273,1274,1276,1277,1278,
&end
#
# 0 AMB 20-2:2199 0 AMB 20-1:2199 3.50 (# 2199:20 Double Ambig)
&rst
ixpk= 2199, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 515, 516,1810,1811,
igr2= 520, 521, 522, 524, 525, 526,1272,1273,1274,1276,
1277,1278,
&end
#
# 0 AMB 20-2:2200 0 AMB 20-1:2200 2.80 (# 2200:20 Double Ambig)
&rst
ixpk= 2200, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 403,1780, 518,1185,1186,
igr2= 520, 521, 522, 524, 525, 526,1272,1273,1274,1276,
1277,1278,
&end
#
# 0 AMB 20-2:2201 0 AMB 20-1:2201 2.80 (# 2201:20 Double Ambig)
&rst
ixpk= 2201, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 403,1780, 518,1185,1186,
igr2= 520, 521, 522, 524, 525, 526,1272,1273,1274,1276,
1277,1278,
&end
#
# 32 LEU HB+ 32 LEU MDX 3.50 (# 2202:20 Unique 2.17, 3.48 A)
&rst
ixpk= 2202, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 515, 516,
igr2= 520, 521, 522, 524, 525, 526,
&end
#
# 3 ILE HG1+ 149 LEU MDX 5.50 (# 2203:20 Unique 2.09, 5.65 A)
&rst
ixpk= 2203, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 55, 56,
igr2=2306,2307,2308,2310,2311,2312,
&end
#
# 85 LEU HB+ 85 LEU MDX 2.80 (# 2205:20 Unique 2.07, 3.47 A)
&rst
ixpk= 2205, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1310,1311,
igr2=1315,1316,1317,1319,1320,1321,
&end
#
# 0 AMB 20-2:2206 85 LEU MDX 2.80 (# 2206:20 Single Ambig)
&rst
ixpk= 2206, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1310,1311, 985, 986,1313,
igr2=1315,1316,1317,1319,1320,1321,
&end
#
# 0 AMB 20-2:2207 97 LEU MDY 5.50 (# 2207:20 Single Ambig)
&rst
ixpk= 2207, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1544, 796, 797,
igr2=1508,1509,1510,1512,1513,1514,
&end
#
# 101 LEU HG 97 LEU MDY 5.50 (# 2208:20 Unique 3.17, 5.44 A)
&rst
ixpk= 2208, nxpk= 20, iat=1563, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1508,1509,1510,1512,1513,1514,
&end
#
# 52 MET ME 97 LEU MDY 3.50 (# 2209:20 Unique 2.09, 5.49 A)
&rst
ixpk= 2209, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 803, 804, 805,
igr2=1508,1509,1510,1512,1513,1514,
&end
#
# 0 AMB 20-2:2211 104 LEU MDX 2.80 (# 2211:20 Single Ambig)
&rst
ixpk= 2211, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 796, 797,1684,1685, 758, 759,
igr2=1605,1606,1607,1609,1610,1611,
&end
#
# 0 AMB 20-2:2212 0 AMB 20-1:2212 2.80 (# 2212:20 Double Ambig)
&rst
ixpk= 2212, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1506, 403, 739, 740,
igr2=1508,1509,1510,1512,1513,1514, 405, 406, 407, 409,
410, 411,
&end
#
# 116 LEU HB- 97 LEU MDY 4.50 (# 2213:20 Unique 4.65, 6.73 A)
&rst
ixpk= 2213, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1810,1811,
igr2=1508,1509,1510,1512,1513,1514,
&end
#
# 39 LEU HB+ 4 LEU MDX 2.80 (# 2215:20 Unique 1.97, 4.85 A)
&rst
ixpk= 2215, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 631, 632,
igr2= 73, 74, 75, 77, 78, 79,
&end
#
# 0 AMB 20-2:2216 4 LEU MDX 2.80 (# 2216:20 Single Ambig)
&rst
ixpk= 2216, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 597, 598, 597, 598,
igr2= 73, 74, 75, 77, 78, 79,
&end
#
# 39 LEU HB- 4 LEU MDX 2.80 (# 2217:20 Unique 1.97, 4.85 A)
&rst
ixpk= 2217, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 631, 632,
igr2= 73, 74, 75, 77, 78, 79,
&end
#
# 0 AMB 20-2:2218 134 VAL MGX 5.50 (# 2218:20 Single Ambig)
&rst
ixpk= 2218, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 969, 970, 971,2185,2186,2187,
igr2=2081,2082,2083,2085,2086,2087,
&end
#
# 36 VAL HB 36 VAL MGY 2.80 (# 2219:20 Unique 2.23, 2.63 A)
&rst
ixpk= 2219, nxpk= 20, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 583, 584, 585, 587, 588, 589,
&end
#
# 48 LEU HG 8 VAL MGX 3.50 (# 2220:20 Unique 1.96, 3.52 A)
&rst
ixpk= 2220, nxpk= 20, iat= 742, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 131, 132, 133, 135, 136, 137,
&end
#
# 48 LEU HG 48 LEU MDX 2.80 (# 2221:20 Unique 2.22, 2.63 A)
&rst
ixpk= 2221, nxpk= 20, iat= 742, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 744, 745, 746, 748, 749, 750,
&end
#
# 0 AMB 20-2:2222 48 LEU MDX 2.80 (# 2222:20 Single Ambig)
&rst
ixpk= 2222, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 690, 691, 692, 106,
igr2= 744, 745, 746, 748, 749, 750,
&end
#
# 146 LEU HB+ 146 LEU MDY 3.50 (# 2223:20 Unique 2.17, 3.25 A)
&rst
ixpk= 2223, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2262,2263,
igr2=2267,2268,2269,2271,2272,2273,
&end
#
# 146 LEU HG 146 LEU MDY 2.80 (# 2224:20 Unique 2.23, 2.63 A)
&rst
ixpk= 2224, nxpk= 20, iat=2265, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=2267,2268,2269,2271,2272,2273,
&end
#
# 146 LEU HB- 146 LEU MDY 3.50 (# 2225:20 Unique 2.17, 3.25 A)
&rst
ixpk= 2225, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2262,2263,
igr2=2267,2268,2269,2271,2272,2273,
&end
#
# 0 AMB 20-2:2226 0 AMB 20-1:2226 3.50 (# 2226:20 Double Ambig)
&rst
ixpk= 2226, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 103, 104,1829, 724, 725,
igr2= 131, 132, 133, 135, 136, 137,2248,2249,2250,2252,
2253,2254,
&end
#
# 44 ALA MB 8 VAL MGX 2.80 (# 2227:20 Unique 1.92, 4.67 A)
&rst
ixpk= 2227, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 690, 691, 692,
igr2= 131, 132, 133, 135, 136, 137,
&end
#
# 0 AMB 20-2:2228 48 LEU MDX 2.80 (# 2228:20 Single Ambig)
&rst
ixpk= 2228, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 739, 740, 103, 104, 724, 725,
igr2= 744, 745, 746, 748, 749, 750,
&end
#
# 36 VAL HB 36 VAL MGX 2.80 (# 2229:20 Unique 2.23, 2.63 A)
&rst
ixpk= 2229, nxpk= 20, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 583, 584, 585, 587, 588, 589,
&end
#
# 101 LEU HG 101 LEU MDX 2.80 (# 2230:20 Unique 2.23, 2.63 A)
&rst
ixpk= 2230, nxpk= 20, iat=1563, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1565,1566,1567,1569,1570,1571,
&end
#
# 52 MET ME 101 LEU MDX 2.80 (# 2231:20 Unique 1.96, 3.99 A)
&rst
ixpk= 2231, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 803, 804, 805,
igr2=1565,1566,1567,1569,1570,1571,
&end
#
# 101 LEU HB- 101 LEU MDX 2.80 (# 2232:20 Unique 2.29, 3.48 A)
&rst
ixpk= 2232, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1560,1561,
igr2=1565,1566,1567,1569,1570,1571,
&end
#
# 0 AMB 20-2:2234 146 LEU MDY 5.50 (# 2234:20 Single Ambig)
&rst
ixpk= 2234, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=2301,2302,2320,2321,
igr2=2267,2268,2269,2271,2272,2273,
&end
#
# 0 AMB 20-2:2235 12 LEU MDY 2.80 (# 2235:20 Single Ambig)
&rst
ixpk= 2235, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 185, 186, 185, 186, 188,
igr2= 190, 191, 192, 194, 195, 196,
&end
#
# 0 AMB 20-2:2236 12 LEU MDY 2.80 (# 2236:20 Single Ambig)
&rst
ixpk= 2236, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 172, 173, 172, 173,
igr2= 190, 191, 192, 194, 195, 196,
&end
#
# 154 VAL HB 154 VAL MGY 2.80 (# 2238:20 Unique 2.22, 2.63 A)
&rst
ixpk= 2238, nxpk= 20, iat=2377, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=2379,2380,2381,2383,2384,2385,
&end
#
# 126 PRO HB- 13 LEU MDX 2.80 (# 2239:20 Unique 2.08, 5.28 A)
&rst
ixpk= 2239, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1964,1965,
igr2= 209, 210, 211, 213, 214, 215,
&end
#
# 0 AMB 20-2:2240 13 LEU MDX 3.50 (# 2240:20 Single Ambig)
&rst
ixpk= 2240, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1961,1962,1961,1962,
igr2= 209, 210, 211, 213, 214, 215,
&end
#
# 0 AMB 20-2:2241 13 LEU MDX 2.80 (# 2241:20 Single Ambig)
&rst
ixpk= 2241, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 204, 205, 185, 186, 185, 186,
igr2= 209, 210, 211, 213, 214, 215,
&end
#
# 0 AMB 20-2:2242 82 VAL MGY 2.80 (# 2242:20 Single Ambig)
&rst
ixpk= 2242, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1780,1185,1186,1813,
igr2=1272,1273,1274,1276,1277,1278,
&end
#
# 0 AMB 20-2:2245 0 AMB 20-1:2245 2.80 (# 2245:20 Double Ambig)
&rst
ixpk= 2245, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=1887,1888,1890,1891, 340,
igr2=1000,1001,1002,1004,1005,1006, 361, 362, 363, 365,
366, 367,
&end
#
# 38 ILE HB 23 VAL MGX 3.50 (# 2246:20 Unique 2.73, 4.19 A)
&rst
ixpk= 2246, nxpk= 20, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 361, 362, 363, 365, 366, 367,
&end
#
# 0 AMB 20-2:2247 0 AMB 20-1:2247 2.80 (# 2247:20 Double Ambig)
&rst
ixpk= 2247, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1927,1928, 618, 619,
igr2=1000,1001,1002,1004,1005,1006, 361, 362, 363, 365,
366, 367,
&end
#
# 0 AMB 20-2:2248 0 AMB 20-1:2248 2.80 (# 2248:20 Double Ambig)
&rst
ixpk= 2248, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 969, 970, 971, 947, 948, 949,
igr2=1000,1001,1002,1004,1005,1006, 361, 362, 363, 365,
366, 367,
&end
#
# 154 VAL HB 154 VAL MGX 2.80 (# 2249:20 Unique 2.22, 2.63 A)
&rst
ixpk= 2249, nxpk= 20, iat=2377, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=2379,2380,2381,2383,2384,2385,
&end
#
# 5 VAL HB 5 VAL MGY 2.80 (# 2252:20 Unique 2.22, 2.63 A)
&rst
ixpk= 2252, nxpk= 20, iat= 87, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 89, 90, 91, 93, 94, 95,
&end
#
# 59 ILE HB 5 VAL MGY 3.50 (# 2253:20 Unique 1.94, 3.94 A)
&rst
ixpk= 2253, nxpk= 20, iat= 909, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 89, 90, 91, 93, 94, 95,
&end
#
# 0 AMB 20-2:2254 5 VAL MGY 4.50 (# 2254:20 Single Ambig)
&rst
ixpk= 2254, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 400, 401, 947, 948, 949,
igr2= 89, 90, 91, 93, 94, 95,
&end
#
# 20 VAL HB 20 VAL MGX 2.80 (# 2255:20 Unique 2.27, 2.63 A)
&rst
ixpk= 2255, nxpk= 20, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 302, 303, 304, 306, 307, 308,
&end
#
# 21 ARG HG+ 20 VAL MGX 4.50 (# 2256:20 Unique 3.24, 6.37 A)
&rst
ixpk= 2256, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 319, 320,
igr2= 302, 303, 304, 306, 307, 308,
&end
#
# 0 AMB 20-2:2257 20 VAL MGX 5.50 (# 2257:20 Single Ambig)
&rst
ixpk= 2257, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 172, 173, 172, 173,
igr2= 302, 303, 304, 306, 307, 308,
&end
#
# 0 AMB 20-2:2258 0 AMB 20-1:2258 2.80 (# 2258:20 Double Ambig)
&rst
ixpk= 2258, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 300, 274,
igr2= 302, 303, 304, 306, 307, 308,1854,1855,1856,1858,
1859,1860,
&end
#
# 119 VAL HB 119 VAL MGX 2.80 (# 2259:20 Unique 2.40, 2.63 A)
&rst
ixpk= 2259, nxpk= 20, iat=1852, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 0 AMB 20-2:2260 0 AMB 20-1:2260 2.80 (# 2260:20 Double Ambig)
&rst
ixpk= 2260, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 969, 970, 971, 172, 173,
igr2=1854,1855,1856,1858,1859,1860, 302, 303, 304, 306,
307, 308,
&end
#
# 117 VAL HB 117 VAL MGX 2.80 (# 2261:20 Unique 2.23, 2.63 A)
&rst
ixpk= 2261, nxpk= 20, iat=1829, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1831,1832,1833,1835,1836,1837,
&end
#
# 0 AMB 20-2:2262 117 VAL MGX 2.80 (# 2262:20 Single Ambig)
&rst
ixpk= 2262, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=2185,2186,2187, 947, 948, 949,
igr2=1831,1832,1833,1835,1836,1837,
&end
#
# 0 AMB 20-2:2263 65 VAL MGY 4.50 (# 2263:20 Single Ambig)
&rst
ixpk= 2263, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1890,1891,1927,1928,
igr2=1000,1001,1002,1004,1005,1006,
&end
#
# 5 VAL HB 5 VAL MGX 2.80 (# 2264:20 Unique 2.22, 2.63 A)
&rst
ixpk= 2264, nxpk= 20, iat= 87, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 89, 90, 91, 93, 94, 95,
&end
#
# 59 ILE HB 5 VAL MGX 2.80 (# 2265:20 Unique 1.94, 3.94 A)
&rst
ixpk= 2265, nxpk= 20, iat= 909, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 89, 90, 91, 93, 94, 95,
&end
#
# 117 VAL HB 117 VAL MGY 2.80 (# 2266:20 Unique 2.23, 2.63 A)
&rst
ixpk= 2266, nxpk= 20, iat=1829, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1831,1832,1833,1835,1836,1837,
&end
#
# 0 AMB 20-2:2267 117 VAL MGY 4.50 (# 2267:20 Single Ambig)
&rst
ixpk= 2267, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1172,1173,1172,1173,
igr2=1831,1832,1833,1835,1836,1837,
&end
#
# 0 AMB 20-2:2268 117 VAL MGY 4.50 (# 2268:20 Single Ambig)
&rst
ixpk= 2268, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1149,1150, 928,
igr2=1831,1832,1833,1835,1836,1837,
&end
#
# 0 AMB 20-2:2269 117 VAL MGY 4.50 (# 2269:20 Single Ambig)
&rst
ixpk= 2269, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1172,1173,1172,1173,
igr2=1831,1832,1833,1835,1836,1837,
&end
#
# 44 ALA MB 8 VAL MGY 3.50 (# 2271:20 Unique 1.92, 4.67 A)
&rst
ixpk= 2271, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 690, 691, 692,
igr2= 131, 132, 133, 135, 136, 137,
&end
#
# 38 ILE HG1- 38 ILE MG2 3.50 (# 2273:20 Unique 2.16, 3.45 A)
&rst
ixpk= 2273, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 618, 619,
igr2= 614, 615, 616,
&end
#
# 5 VAL HB 38 ILE MG2 4.50 (# 2274:20 Unique 3.83, 4.66 A)
&rst
ixpk= 2274, nxpk= 20, iat= 87, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 614, 615, 616,
&end
#
# 38 ILE HB 38 ILE MG2 2.80 (# 2275:20 Unique 2.22, 2.63 A)
&rst
ixpk= 2275, nxpk= 20, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 614, 615, 616,
&end
#
# 76 ILE HB 76 ILE MG2 2.80 (# 2277:20 Unique 2.22, 2.63 A)
&rst
ixpk= 2277, nxpk= 20, iat=1166, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1168,1169,1170,
&end
#
# 90 ILE HB 90 ILE MG2 2.80 (# 2279:20 Unique 2.22, 2.63 A)
&rst
ixpk= 2279, nxpk= 20, iat=1399, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1401,1402,1403,
&end
#
# 0 AMB 20-2:2280 60 ILE MG2 2.80 (# 2280:20 Single Ambig)
&rst
ixpk= 2280, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1813,1506,
igr2= 930, 931, 932,
&end
#
# 90 ILE HG1+ 90 ILE MG2 2.80 (# 2281:20 Unique 2.20, 3.52 A)
&rst
ixpk= 2281, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1405,1406,
igr2=1401,1402,1403,
&end
#
# 0 AMB 20-2:2282 76 ILE MG2 2.80 (# 2282:20 Single Ambig)
&rst
ixpk= 2282, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1172,1173,1172,1173,
igr2=1168,1169,1170,
&end
#
# 60 ILE HG1+ 60 ILE MG2 3.50 (# 2283:20 Unique 2.12, 3.37 A)
&rst
ixpk= 2283, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 934, 935,
igr2= 930, 931, 932,
&end
#
# 60 ILE HB 60 ILE MG2 2.80 (# 2284:20 Unique 2.22, 2.63 A)
&rst
ixpk= 2284, nxpk= 20, iat= 928, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 930, 931, 932,
&end
#
# 31 ILE HB 31 ILE MG2 2.80 (# 2285:20 Unique 2.22, 2.63 A)
&rst
ixpk= 2285, nxpk= 20, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 498, 499, 500,
&end
#
# 31 ILE HG1+ 31 ILE MG2 2.80 (# 2286:20 Unique 2.46, 3.51 A)
&rst
ixpk= 2286, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 502, 503,
igr2= 498, 499, 500,
&end
#
# 64 ILE HB 64 ILE MG2 2.80 (# 2288:20 Unique 2.23, 2.63 A)
&rst
ixpk= 2288, nxpk= 20, iat= 979, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 981, 982, 983,
&end
#
# 0 AMB 20-2:2289 0 AMB 20-1:2289 2.80 (# 2289:20 Double Ambig)
&rst
ixpk= 2289, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1998,1999, 909,
igr2=1994,1995,1996, 911, 912, 913,
&end
#
# 11 ILE HB 128 ILE MG2 5.50 (# 2290:20 Unique 3.29, 5.01 A)
&rst
ixpk= 2290, nxpk= 20, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1994,1995,1996,
&end
#
# 0 AMB 20-2:2291 128 ILE MG2 2.80 (# 2291:20 Single Ambig)
&rst
ixpk= 2291, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1998,1999,1992,
igr2=1994,1995,1996,
&end
#
# 0 AMB 20-2:2292 128 ILE MG2 4.50 (# 2292:20 Single Ambig)
&rst
ixpk= 2292, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 172, 173, 172, 173,
igr2=1994,1995,1996,
&end
#
# 22 ILE HB 22 ILE MG2 2.80 (# 2294:20 Unique 2.24, 2.63 A)
&rst
ixpk= 2294, nxpk= 20, iat= 340, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 342, 343, 344,
&end
#
# 0 AMB 20-2:2295 22 ILE MG2 4.50 (# 2295:20 Single Ambig)
&rst
ixpk= 2295, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 390, 391, 392, 909, 403,
igr2= 342, 343, 344,
&end
#
# 0 AMB 20-2:2296 22 ILE MG2 2.80 (# 2296:20 Single Ambig)
&rst
ixpk= 2296, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 947, 948, 949,2185,2186,2187, 400, 401,
igr2= 342, 343, 344,
&end
#
# 3 ILE HB 3 ILE MG2 3.50 (# 2297:20 Unique 2.29, 2.63 A)
&rst
ixpk= 2297, nxpk= 20, iat= 49, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 51, 52, 53,
&end
#
# 0 AMB 20-2:2298 138 ILE MG2 2.80 (# 2298:20 Single Ambig)
&rst
ixpk= 2298, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=2137,2195,2196,2195,2196,
igr2=2139,2140,2141,
&end
#
# 25 ALA MB 138 ILE MG2 2.80 (# 2299:20 Unique 2.53, 3.68 A)
&rst
ixpk= 2299, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 390, 391, 392,
igr2=2139,2140,2141,
&end
#
# 157 ILE HB 157 ILE MG2 2.80 (# 2300:20 Unique 2.22, 2.63 A)
&rst
ixpk= 2300, nxpk= 20, iat=2418, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=2420,2421,2422,
&end
#
# 31 ILE HB 157 ILE MG2 3.50 (# 2301:20 Unique 2.51, 3.81 A)
&rst
ixpk= 2301, nxpk= 20, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2420,2421,2422,
&end
#
# 158 PRO HG- 157 ILE MG2 5.50 (# 2302:20 Unique 3.49, 5.09 A)
&rst
ixpk= 2302, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2437,2438,
igr2=2420,2421,2422,
&end
#
# 157 ILE HG1+ 157 ILE MG2 2.80 (# 2303:20 Unique 2.04, 3.38 A)
&rst
ixpk= 2303, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=2424,2425,
igr2=2420,2421,2422,
&end
#
# 0 AMB 20-2:2304 157 ILE MG2 4.50 (# 2304:20 Single Ambig)
&rst
ixpk= 2304, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2451,2452,2454,2455,
igr2=2420,2421,2422,
&end
#
# 22 ILE HG1+ 22 ILE MD1 2.80 (# 2306:20 Unique 2.27, 2.62 A)
&rst
ixpk= 2306, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 346, 347,
igr2= 349, 350, 351,
&end
#
# 0 AMB 20-2:2307 22 ILE MD1 2.80 (# 2307:20 Single Ambig)
&rst
ixpk= 2307, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 947, 948, 949,2185,2186,2187,
igr2= 349, 350, 351,
&end
#
# 0 AMB 20-2:2308 59 ILE MD1 2.80 (# 2308:20 Single Ambig)
&rst
ixpk= 2308, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2291,2292,2293, 909,
igr2= 918, 919, 920,
&end
#
# 0 AMB 20-2:2309 18 ILE MD1 2.80 (# 2309:20 Single Ambig)
&rst
ixpk= 2309, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 274, 346, 347,
igr2= 283, 284, 285,
&end
#
# 11 ILE HB 11 ILE MD1 2.80 (# 2310:20 Unique 2.19, 3.14 A)
&rst
ixpk= 2310, nxpk= 20, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 175, 176, 177,
&end
#
# 0 AMB 20-2:2311 11 ILE MD1 2.80 (# 2311:20 Single Ambig)
&rst
ixpk= 2311, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 172, 173, 172, 173,
igr2= 175, 176, 177,
&end
#
# 0 AMB 20-2:2312 60 ILE MD1 2.80 (# 2312:20 Single Ambig)
&rst
ixpk= 2312, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 803, 804, 805, 934, 935,1810,1811,
igr2= 937, 938, 939,
&end
#
# 60 ILE HB 60 ILE MD1 2.80 (# 2313:20 Unique 2.08, 2.95 A)
&rst
ixpk= 2313, nxpk= 20, iat= 928, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 937, 938, 939,
&end
#
# 38 ILE HB 38 ILE MD1 3.50 (# 2314:20 Unique 2.39, 3.58 A)
&rst
ixpk= 2314, nxpk= 20, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 621, 622, 623,
&end
#
# 38 ILE HG1- 38 ILE MD1 2.80 (# 2315:20 Unique 2.27, 2.62 A)
&rst
ixpk= 2315, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 618, 619,
igr2= 621, 622, 623,
&end
#
# 0 AMB 20-2:2316 38 ILE MD1 4.50 (# 2316:20 Single Ambig)
&rst
ixpk= 2316, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 597, 598, 597, 598,
igr2= 621, 622, 623,
&end
#
# 0 AMB 20-2:2317 0 AMB 20-1:2317 2.80 (# 2317:20 Double Ambig)
&rst
ixpk= 2317, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 502, 503, 390, 391, 392,
igr2= 505, 506, 507,2146,2147,2148,
&end
#
# 0 AMB 20-2:2318 31 ILE MD1 3.50 (# 2318:20 Single Ambig)
&rst
ixpk= 2318, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2454,2455,2451,2452,
igr2= 505, 506, 507,
&end
#
# 0 AMB 20-2:2319 60 ILE HA 4.50 (# 2319:20 Single Ambig)
&rst
ixpk= 2319, nxpk= 20, iat= -1, 926, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 928, 893, 909,
&end
#
# 60 ILE HG1+ 60 ILE HA 4.50 (# 2320:20 Unique 2.46, 2.73 A)
&rst
ixpk= 2320, nxpk= 20, iat= -1, 926, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 934, 935,
&end
#
# 0 AMB 20-2:2321 60 ILE HA 2.80 (# 2321:20 Single Ambig)
&rst
ixpk= 2321, nxpk= 20, iat= -1, 926, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 930, 931, 932, 934, 935,1815,1816,1817,1819,1820,
1821,
&end
#
# 0 AMB 20-2:2322 76 ILE HA 3.50 (# 2322:20 Single Ambig)
&rst
ixpk= 2322, nxpk= 20, iat= -1,1164, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1172,1173,1172,1173,
&end
#
# 0 AMB 20-2:2323 76 ILE HA 2.80 (# 2323:20 Single Ambig)
&rst
ixpk= 2323, nxpk= 20, iat= -1,1164, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1168,1169,1170,1831,1832,1833,1835,1836,1837,
&end
#
# 0 AMB 20-2:2324 76 ILE HA 4.50 (# 2324:20 Single Ambig)
&rst
ixpk= 2324, nxpk= 20, iat= -1,1164, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1166,1149,1150,
&end
#
# 82 VAL MGX 78 ARG HA 4.50 (# 2325:20 Unique 4.07, 6.50 A)
&rst
ixpk= 2325, nxpk= 20, iat= -1,1202, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1272,1273,1274,1276,1277,1278,
&end
#
# 78 ARG HB- 78 ARG HA 2.80 (# 2326:20 Unique 2.34, 2.75 A)
&rst
ixpk= 2326, nxpk= 20, iat= -1,1202, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1204,1205,
&end
#
# 78 ARG HB+ 78 ARG HA 3.50 (# 2327:20 Unique 2.34, 2.75 A)
&rst
ixpk= 2327, nxpk= 20, iat= -1,1202, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1204,1205,
&end
#
# 0 AMB 20-2:2328 114 LEU HA 4.50 (# 2328:20 Single Ambig)
&rst
ixpk= 2328, nxpk= 20, iat= -1,1775, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1780, 893,
&end
#
# 114 LEU HB+ 114 LEU HA 4.50 (# 2329:20 Unique 2.23, 2.60 A)
&rst
ixpk= 2329, nxpk= 20, iat= -1,1775, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1777,1778,
&end
#
# 0 AMB 20-2:2330 114 LEU HA 3.50 (# 2330:20 Single Ambig)
&rst
ixpk= 2330, nxpk= 20, iat= -1,1775, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1777,1778,1719,1720,
&end
#
# 0 AMB 20-2:2331 114 LEU HA 3.50 (# 2331:20 Single Ambig)
&rst
ixpk= 2331, nxpk= 20, iat= -1,1775, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1782,1783,1784,1786,1787,1788,1782,1783,1784,1786,
1787,1788,
&end
#
# 74 MET HG- 74 MET HA 4.50 (# 2332:20 Unique 2.54, 3.08 A)
&rst
ixpk= 2332, nxpk= 20, iat= -1,1130, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1135,1136,
&end
#
# 74 MET HB- 74 MET HA 3.50 (# 2333:20 Unique 2.28, 2.67 A)
&rst
ixpk= 2333, nxpk= 20, iat= -1,1130, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1132,1133,
&end
#
# 0 AMB 20-2:2334 57 HIS HA 3.50 (# 2334:20 Single Ambig)
&rst
ixpk= 2334, nxpk= 20, iat= -1, 871, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1755,1756,1755,1756,
&end
#
# 0 AMB 20-2:2335 74 MET HA 3.50 (# 2335:20 Single Ambig)
&rst
ixpk= 2335, nxpk= 20, iat= -1,1130, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=2127,2128,2129,1132,1133,
&end
#
# 0 AMB 20-2:2336 74 MET HA 3.50 (# 2336:20 Single Ambig)
&rst
ixpk= 2336, nxpk= 20, iat= -1,1130, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1854,1855,1856,1858,1859,1860, 988, 989, 990,
&end
#
# 116 LEU MDX 116 LEU HA 3.50 (# 2337:20 Unique 1.91, 3.57 A)
&rst
ixpk= 2337, nxpk= 20, iat= -1,1808, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1815,1816,1817,1819,1820,1821,
&end
#
# 116 LEU HB+ 116 LEU HA 4.50 (# 2338:20 Unique 2.35, 2.69 A)
&rst
ixpk= 2338, nxpk= 20, iat= -1,1808, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1810,1811,
&end
#
# 58 LEU HB- 58 LEU HA 3.50 (# 2339:20 Unique 2.39, 2.74 A)
&rst
ixpk= 2339, nxpk= 20, iat= -1, 888, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 890, 891,
&end
#
# 60 ILE HB 116 LEU HA 3.50 (# 2340:20 Unique 2.18, 2.52 A)
&rst
ixpk= 2340, nxpk= 20, iat= 928,1808, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 116 LEU HB- 116 LEU HA 3.50 (# 2341:20 Unique 2.35, 2.69 A)
&rst
ixpk= 2341, nxpk= 20, iat= -1,1808, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1810,1811,
&end
#
# 116 LEU MDY 116 LEU HA 2.80 (# 2342:20 Unique 1.91, 3.57 A)
&rst
ixpk= 2342, nxpk= 20, iat= -1,1808, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1815,1816,1817,1819,1820,1821,
&end
#
# 58 LEU HB+ 58 LEU HA 3.50 (# 2343:20 Unique 2.39, 2.74 A)
&rst
ixpk= 2343, nxpk= 20, iat= -1, 888, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 890, 891,
&end
#
# 58 LEU HG 58 LEU HA 4.50 (# 2344:20 Unique 2.59, 2.78 A)
&rst
ixpk= 2344, nxpk= 20, iat= 893, 888, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:2345 4 LEU HA 4.50 (# 2345:20 Single Ambig)
&rst
ixpk= 2345, nxpk= 20, iat= -1, 66, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 89, 90, 91, 93, 94, 95, 89, 90, 91, 93,
94, 95, 583, 584, 585, 587, 588, 589,
&end
#
# 0 AMB 20-2:2346 4 LEU HA 3.50 (# 2346:20 Single Ambig)
&rst
ixpk= 2346, nxpk= 20, iat= -1, 66, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 597, 598, 597, 598,
&end
#
# 4 LEU HB+ 4 LEU HA 4.50 (# 2347:20 Unique 2.48, 2.83 A)
&rst
ixpk= 2347, nxpk= 20, iat= -1, 66, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 68, 69,
&end
#
# 0 AMB 20-2:2348 4 LEU HA 4.50 (# 2348:20 Single Ambig)
&rst
ixpk= 2348, nxpk= 20, iat= -1, 66, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 631, 632, 55, 56,
&end
#
# 4 LEU HB- 4 LEU HA 3.50 (# 2349:20 Unique 2.48, 2.83 A)
&rst
ixpk= 2349, nxpk= 20, iat= -1, 66, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 68, 69,
&end
#
# 4 LEU MDX 4 LEU HA 2.80 (# 2350:20 Unique 2.01, 3.13 A)
&rst
ixpk= 2350, nxpk= 20, iat= -1, 66, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 73, 74, 75, 77, 78, 79,
&end
#
# 6 LEU HB+ 6 LEU HA 4.50 (# 2351:20 Unique 2.68, 2.83 A)
&rst
ixpk= 2351, nxpk= 20, iat= -1, 101, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 103, 104,
&end
#
# 39 LEU HB- 6 LEU HA 5.50 (# 2352:20 Unique 1.95, 2.76 A)
&rst
ixpk= 2352, nxpk= 20, iat= -1, 101, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 631, 632,
&end
#
# 0 AMB 20-2:2353 6 LEU HA 2.80 (# 2353:20 Single Ambig)
&rst
ixpk= 2353, nxpk= 20, iat= -1, 101, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 108, 109, 110, 112, 113, 114, 636, 637, 638, 640,
641, 642,
&end
#
# 117 VAL HB 61 ALA HA 4.50 (# 2354:20 Unique 2.60, 2.82 A)
&rst
ixpk= 2354, nxpk= 20, iat=1829, 945, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:2355 61 ALA HA 2.80 (# 2355:20 Single Ambig)
&rst
ixpk= 2355, nxpk= 20, iat= -1, 945, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1815,1816,1817,1819,1820,1821,1831,1832,1833,1835,
1836,1837, 930, 931, 932, 346, 347,
&end
#
# 0 AMB 20-2:2356 61 ALA HA 4.50 (# 2356:20 Single Ambig)
&rst
ixpk= 2356, nxpk= 20, iat= -1, 945, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 349, 350, 351,1854,1855,1856,1858,1859,1860, 911,
912, 913,
&end
#
# 61 ALA MB 61 ALA HA 2.80 (# 2357:20 Unique 2.22, 2.63 A)
&rst
ixpk= 2357, nxpk= 20, iat= -1, 945, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 947, 948, 949,
&end
#
# 64 ILE HG1+ 118 GLY HA+ 4.50 (# 2358:20 Unique 2.15, 3.32 A)
&rst
ixpk= 2358, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 985, 986,
igr2=1843,1844,
&end
#
# 64 ILE MD1 118 GLY HA+ 3.50 (# 2359:20 Unique 1.94, 3.41 A)
&rst
ixpk= 2359, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 988, 989, 990,
igr2=1843,1844,
&end
#
# 77 LEU HN 76 ILE HA 2.80 (# 2360:20 Unique 2.14, 2.16 A)
&rst
ixpk= 2360, nxpk= 20, iat=1181,1164, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 76 ILE HN 76 ILE HA 5.50 (# 2361:20 Unique 2.86, 2.92 A)
&rst
ixpk= 2361, nxpk= 20, iat=1162,1164, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 ALA HN 60 ILE HA 2.80 (# 2362:20 Unique 2.16, 2.21 A)
&rst
ixpk= 2362, nxpk= 20, iat= 943, 926, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 115 THR HG1 57 HIS HA 4.50 (# 2364:20 Unique 4.76, 4.84 A)
&rst
ixpk= 2364, nxpk= 20, iat=1802, 871, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 78 ARG HN 78 ARG HA 4.50 (# 2365:20 Unique 2.85, 2.88 A)
&rst
ixpk= 2365, nxpk= 20, iat=1200,1202, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 115 THR HN 114 LEU HA 2.80 (# 2366:20 Unique 2.14, 2.17 A)
&rst
ixpk= 2366, nxpk= 20, iat=1792,1775, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 115 THR HG1 114 LEU HA 5.50 (# 2367:20 Unique 3.16, 3.26 A)
&rst
ixpk= 2367, nxpk= 20, iat=1802,1775, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 MET HN 74 MET HA 2.80 (# 2368:20 Unique 2.15, 2.23 A)
&rst
ixpk= 2368, nxpk= 20, iat=1145,1130, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 74 MET HN 74 MET HA 4.50 (# 2369:20 Unique 2.89, 2.91 A)
&rst
ixpk= 2369, nxpk= 20, iat=1128,1130, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 58 LEU HN 57 HIS HA 2.80 (# 2370:20 Unique 2.14, 2.14 A)
&rst
ixpk= 2370, nxpk= 20, iat= 886, 871, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 113 LYS HN 57 HIS HA 5.50 (# 2371:20 Unique 2.83, 3.24 A)
&rst
ixpk= 2371, nxpk= 20, iat=1751, 871, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 LEU HN 114 LEU HA 4.50 (# 2372:20 Unique 2.56, 2.68 A)
&rst
ixpk= 2372, nxpk= 20, iat= 886,1775, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 LEU HN 58 LEU HA 5.50 (# 2373:20 Unique 2.45, 2.61 A)
&rst
ixpk= 2373, nxpk= 20, iat= 64, 888, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2374 116 LEU HA 2.80 (# 2374:20 Single Ambig)
&rst
ixpk= 2374, nxpk= 20, iat= -1,1808, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1825, 924,
&end
#
# 59 ILE HN 58 LEU HA 2.80 (# 2375:20 Unique 2.16, 2.25 A)
&rst
ixpk= 2375, nxpk= 20, iat= 905, 888, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 5 VAL HN 4 LEU HA 2.80 (# 2376:20 Unique 2.14, 2.14 A)
&rst
ixpk= 2376, nxpk= 20, iat= 83, 66, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 37 GLU HN 4 LEU HA 4.50 (# 2377:20 Unique 2.56, 2.66 A)
&rst
ixpk= 2377, nxpk= 20, iat= 593, 66, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 7 GLY HN 6 LEU HA 2.80 (# 2378:20 Unique 2.17, 2.21 A)
&rst
ixpk= 2378, nxpk= 20, iat= 118, 101, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 39 LEU HN 6 LEU HA 4.50 (# 2379:20 Unique 3.17, 3.32 A)
&rst
ixpk= 2379, nxpk= 20, iat= 627, 101, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 117 VAL HN 61 ALA HA 4.50 (# 2380:20 Unique 2.76, 2.86 A)
&rst
ixpk= 2380, nxpk= 20, iat=1825, 945, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 61 ALA HN 61 ALA HA 4.50 (# 2381:20 Unique 2.94, 2.95 A)
&rst
ixpk= 2381, nxpk= 20, iat= 943, 945, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 62 ASP HN 61 ALA HA 2.80 (# 2382:20 Unique 2.14, 2.14 A)
&rst
ixpk= 2382, nxpk= 20, iat= 953, 945, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 118 GLY HN 118 GLY HA+ 4.50 (# 2383:20 Unique 2.36, 2.66 A)
&rst
ixpk= 2383, nxpk= 20, iat=1841, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1843,1844,
&end
#
# 119 VAL HN 118 GLY HA+ 2.80 (# 2384:20 Unique 2.14, 2.71 A)
&rst
ixpk= 2384, nxpk= 20, iat=1848, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1843,1844,
&end
#
# 57 HIS HE1 59 ILE MD1 5.50 (# 2385:20 Unique 2.04, 4.42 A)
&rst
ixpk= 2385, nxpk= 20, iat= 879, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 918, 919, 920,
&end
#
# 0 AMB 20-2:2387 59 ILE MD1 2.80 (# 2387:20 Single Ambig)
&rst
ixpk= 2387, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=2248,2249,2250,2252,2253,2254, 915, 916, 51, 52,
53,
igr2= 918, 919, 920,
&end
#
# 0 AMB 20-2:2388 59 ILE MD1 2.80 (# 2388:20 Single Ambig)
&rst
ixpk= 2388, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=2306,2307,2308,2310,2311,2312,2306,2307,2308,2310,
2311,2312, 89, 90, 91, 93, 94, 95,
igr2= 918, 919, 920,
&end
#
# 0 AMB 20-2:2389 59 ILE MD1 5.50 (# 2389:20 Single Ambig)
&rst
ixpk= 2389, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.85, r4=10.35,
igr1=2301,2302, 361, 362, 363, 365, 366, 367, 58, 59,
60,
igr2= 918, 919, 920,
&end
#
# 0 AMB 20-2:2390 157 ILE MG2 5.50 (# 2390:20 Single Ambig)
&rst
ixpk= 2390, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2440,2441,2396,2397,
igr2=2420,2421,2422,
&end
#
# 31 ILE HN 157 ILE MG2 5.50 (# 2391:20 Unique 3.36, 4.47 A)
&rst
ixpk= 2391, nxpk= 20, iat= 492, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2420,2421,2422,
&end
#
# 138 ILE HA 138 ILE MG2 2.80 (# 2392:20 Unique 2.45, 3.20 A)
&rst
ixpk= 2392, nxpk= 20, iat=2135, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=2139,2140,2141,
&end
#
# 22 ILE HA 138 ILE MG2 3.50 (# 2393:20 Unique 3.41, 4.75 A)
&rst
ixpk= 2393, nxpk= 20, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2139,2140,2141,
&end
#
# 0 AMB 20-2:2394 120 ILE MG2 2.80 (# 2394:20 Single Ambig)
&rst
ixpk= 2394, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1868,1100,1101,
igr2=1870,1871,1872,
&end
#
# 0 AMB 20-2:2395 120 ILE MG2 2.80 (# 2395:20 Single Ambig)
&rst
ixpk= 2395, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1874,1875,1874,1875,
igr2=1870,1871,1872,
&end
#
# 120 ILE MD1 120 ILE MG2 2.80 (# 2396:20 Unique 1.96, 3.69 A)
&rst
ixpk= 2396, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1877,1878,1879,
igr2=1870,1871,1872,
&end
#
# 57 HIS HB- 3 ILE MG2 5.50 (# 2397:20 Unique 2.51, 4.70 A)
&rst
ixpk= 2397, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 873, 874,
igr2= 51, 52, 53,
&end
#
# 0 AMB 20-2:2398 3 ILE MG2 5.50 (# 2398:20 Single Ambig)
&rst
ixpk= 2398, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 83, 905,
igr2= 51, 52, 53,
&end
#
# 66 SER HN 120 ILE MG2 5.50 (# 2399:20 Unique 2.10, 4.34 A)
&rst
ixpk= 2399, nxpk= 20, iat=1010, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1870,1871,1872,
&end
#
# 0 AMB 20-2:2400 120 ILE MG2 5.50 (# 2400:20 Single Ambig)
&rst
ixpk= 2400, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1899,1081,1893,
igr2=1870,1871,1872,
&end
#
# 69 ASN HB- 120 ILE MG2 5.50 (# 2401:20 Unique 3.42, 5.64 A)
&rst
ixpk= 2401, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1069,1070,
igr2=1870,1871,1872,
&end
#
# 18 ILE MG2 63 ALA MB 2.80 (# 2404:20 Unique 1.97, 3.75 A)
&rst
ixpk= 2404, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 276, 277, 278,
igr2= 969, 970, 971,
&end
#
# 20 VAL HA 23 VAL MGY 2.80 (# 2405:20 Unique 2.68, 4.19 A)
&rst
ixpk= 2405, nxpk= 20, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 361, 362, 363, 365, 366, 367,
&end
#
# 0 AMB 20-2:2406 23 VAL MGY 2.80 (# 2406:20 Single Ambig)
&rst
ixpk= 2406, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 359, 378, 379,
igr2= 361, 362, 363, 365, 366, 367,
&end
#
# 116 LEU HA 117 VAL MGY 5.50 (# 2407:20 Unique 4.09, 5.88 A)
&rst
ixpk= 2407, nxpk= 20, iat=1808, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1831,1832,1833,1835,1836,1837,
&end
#
# 61 ALA HA 117 VAL MGY 5.50 (# 2408:20 Unique 3.40, 4.91 A)
&rst
ixpk= 2408, nxpk= 20, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1831,1832,1833,1835,1836,1837,
&end
#
# 0 AMB 20-2:2409 117 VAL MGY 5.50 (# 2409:20 Single Ambig)
&rst
ixpk= 2409, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2225, 975,
igr2=1831,1832,1833,1835,1836,1837,
&end
#
# 47 GLU HN 44 ALA MB 5.50 (# 2410:20 Unique 2.75, 3.93 A)
&rst
ixpk= 2410, nxpk= 20, iat= 720, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 690, 691, 692,
&end
#
# 0 AMB 20-2:2411 0 AMB 20-1:2411 2.80 (# 2411:20 Double Ambig)
&rst
ixpk= 2411, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 724, 725,1684,1685,1687,1688,
igr2= 690, 691, 692, 813, 814, 815,
&end
#
# 47 GLU HB- 44 ALA MB 2.80 (# 2412:20 Unique 1.85, 3.85 A)
&rst
ixpk= 2412, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 724, 725,
igr2= 690, 691, 692,
&end
#
# 109 GLU HB- 53 ALA MB 2.80 (# 2413:20 Unique 1.91, 3.67 A)
&rst
ixpk= 2413, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1684,1685,
igr2= 813, 814, 815,
&end
#
# 118 GLY HA+ 119 VAL MGX 5.50 (# 2414:20 Unique 3.53, 5.65 A)
&rst
ixpk= 2414, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1843,1844,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 20 VAL HA 20 VAL MGY 2.80 (# 2415:20 Unique 2.26, 3.14 A)
&rst
ixpk= 2415, nxpk= 20, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 302, 303, 304, 306, 307, 308,
&end
#
# 20 VAL HA 20 VAL MGX 2.80 (# 2416:20 Unique 2.26, 3.14 A)
&rst
ixpk= 2416, nxpk= 20, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 302, 303, 304, 306, 307, 308,
&end
#
# 146 LEU MDY 156 ALA MB 2.80 (# 2417:20 Unique 1.94, 3.87 A)
&rst
ixpk= 2417, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=2267,2268,2269,2271,2272,2273,
igr2=2408,2409,2410,
&end
#
# 146 LEU MDX 156 ALA MB 5.50 (# 2418:20 Unique 1.94, 3.87 A)
&rst
ixpk= 2418, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2267,2268,2269,2271,2272,2273,
igr2=2408,2409,2410,
&end
#
# 19 GLY HA- 61 ALA MB 3.50 (# 2419:20 Unique 1.92, 3.80 A)
&rst
ixpk= 2419, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 291, 292,
igr2= 947, 948, 949,
&end
#
# 22 ILE HB 61 ALA MB 3.50 (# 2420:20 Unique 2.25, 2.80 A)
&rst
ixpk= 2420, nxpk= 20, iat= 340, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 947, 948, 949,
&end
#
# 0 AMB 20-2:2421 61 ALA MB 2.80 (# 2421:20 Single Ambig)
&rst
ixpk= 2421, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 346, 347, 361, 362, 363, 365, 366, 367,2248,2249,
2250,2252,2253,2254,
igr2= 947, 948, 949,
&end
#
# 23 VAL HN 61 ALA MB 5.50 (# 2422:20 Unique 3.55, 4.12 A)
&rst
ixpk= 2422, nxpk= 20, iat= 355, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 947, 948, 949,
&end
#
# 0 AMB 20-2:2423 146 LEU MDY 5.50 (# 2423:20 Single Ambig)
&rst
ixpk= 2423, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2406,2443,
igr2=2267,2268,2269,2271,2272,2273,
&end
#
# 156 ALA MB 146 LEU MDY 2.80 (# 2424:20 Unique 1.94, 3.87 A)
&rst
ixpk= 2424, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=2408,2409,2410,
igr2=2267,2268,2269,2271,2272,2273,
&end
#
# 26 LEU MDX 146 LEU MDY 2.80 (# 2425:20 Unique 1.98, 4.61 A)
&rst
ixpk= 2425, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 405, 406, 407, 409, 410, 411,
igr2=2267,2268,2269,2271,2272,2273,
&end
#
# 131 THR HN 0 AMB 20-1:2427 2.80 (# 2427:20 Single Ambig)
&rst
ixpk= 2427, nxpk= 20, iat=2033, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 225, 226, 227,2039,2040,2041,
&end
#
# 133 THR HN 131 THR MG2 5.50 (# 2428:20 Unique 1.78, 4.61 A)
&rst
ixpk= 2428, nxpk= 20, iat=2061, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2039,2040,2041,
&end
#
# 125 GLU HN 0 AMB 20-1:2429 5.50 (# 2429:20 Single Ambig)
&rst
ixpk= 2429, nxpk= 20, iat=1942, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 225, 226, 227,2039,2040,2041,
&end
#
# 123 SER HB- 0 AMB 20-1:2430 2.80 (# 2430:20 Single Ambig)
&rst
ixpk= 2430, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1916,1917,
igr2=2039,2040,2041, 225, 226, 227,
&end
#
# 122 GLU HG- 131 THR MG2 3.50 (# 2431:20 Unique 1.88, 4.35 A)
&rst
ixpk= 2431, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1904,1905,
igr2=2039,2040,2041,
&end
#
# 122 GLU HB- 131 THR MG2 3.50 (# 2432:20 Unique 1.94, 3.95 A)
&rst
ixpk= 2432, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1901,1902,
igr2=2039,2040,2041,
&end
#
# 0 AMB 20-2:2433 0 AMB 20-1:2433 2.80 (# 2433:20 Double Ambig)
&rst
ixpk= 2433, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=2081,2082,2083,2085,2086,2087,2081,2082,2083,2085,
2086,2087,2023,2024,2025,2027,2028,2029,
igr2=2039,2040,2041, 225, 226, 227,
&end
#
# 146 LEU HB- 146 LEU MDX 3.50 (# 2434:20 Unique 2.17, 3.25 A)
&rst
ixpk= 2434, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2262,2263,
igr2=2267,2268,2269,2271,2272,2273,
&end
#
# 0 AMB 20-2:2435 146 LEU MDX 2.80 (# 2435:20 Single Ambig)
&rst
ixpk= 2435, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=2408,2409,2410,2200,2201,2202,2204,2205,2206,
igr2=2267,2268,2269,2271,2272,2273,
&end
#
# 83 PRO HD+ 82 VAL MGX 2.80 (# 2437:20 Unique 1.72, 3.06 A)
&rst
ixpk= 2437, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1283,1284,
igr2=1272,1273,1274,1276,1277,1278,
&end
#
# 0 AMB 20-2:2438 149 LEU MDX 2.80 (# 2438:20 Single Ambig)
&rst
ixpk= 2438, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=2301,2302, 58, 59, 60,
igr2=2306,2307,2308,2310,2311,2312,
&end
#
# 0 AMB 20-2:2439 149 LEU MDX 2.80 (# 2439:20 Single Ambig)
&rst
ixpk= 2439, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=2379,2380,2381,2383,2384,2385, 51, 52, 53,
igr2=2306,2307,2308,2310,2311,2312,
&end
#
# 56 ASP HA 112 LYS HG+ 5.50 (# 2440:20 Unique 1.98, 3.50 A)
&rst
ixpk= 2440, nxpk= 20, iat= 859, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1736,1737,
&end
#
# 0 AMB 20-2:2441 0 AMB 20-1:2441 3.50 (# 2441:20 Double Ambig)
&rst
ixpk= 2441, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1722,1723,1733,1734, 25, 26,
igr2= 840, 841,1736,1737,
&end
#
# 112 LYS HB- 112 LYS HG- 4.50 (# 2442:20 Unique 2.21, 2.68 A)
&rst
ixpk= 2442, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1733,1734,
igr2=1736,1737,
&end
#
# 11 ILE HB 0 AMB 20-1:2443 3.50 (# 2443:20 Single Ambig)
&rst
ixpk= 2443, nxpk= 20, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 172, 173, 172, 173,
&end
#
# 0 AMB 20-2:2444 0 AMB 20-1:2444 5.50 (# 2444:20 Double Ambig)
&rst
ixpk= 2444, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 150, 676,
igr2= 172, 173, 172, 173, 172, 173,
&end
#
# 12 LEU HG 0 AMB 20-1:2445 2.80 (# 2445:20 Single Ambig)
&rst
ixpk= 2445, nxpk= 20, iat= 188, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 172, 173, 172, 173,
&end
#
# 59 ILE MG2 59 ILE HG1+ 3.50 (# 2446:20 Unique 1.96, 3.33 A)
&rst
ixpk= 2446, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 911, 912, 913,
igr2= 915, 916,
&end
#
# 59 ILE MD1 59 ILE HG1+ 2.80 (# 2447:20 Unique 2.21, 2.62 A)
&rst
ixpk= 2447, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 918, 919, 920,
igr2= 915, 916,
&end
#
# 115 THR HB 59 ILE HG1+ 5.50 (# 2448:20 Unique 2.88, 3.69 A)
&rst
ixpk= 2448, nxpk= 20, iat=1796, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 915, 916,
&end
#
# 59 ILE HA 59 ILE HG1+ 4.50 (# 2449:20 Unique 2.48, 3.03 A)
&rst
ixpk= 2449, nxpk= 20, iat= 907, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 915, 916,
&end
#
# 14 THR HG1 127 HIS HB+ 4.50 (# 2450:20 Unique 2.07, 3.97 A)
&rst
ixpk= 2450, nxpk= 20, iat= 229, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1975,1976,
&end
#
# 127 HIS HA 127 HIS HB- 3.50 (# 2451:20 Unique 2.24, 2.58 A)
&rst
ixpk= 2451, nxpk= 20, iat=1973, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1975,1976,
&end
#
# 127 HIS HD2 127 HIS HB+ 5.50 (# 2452:20 Unique 2.69, 3.25 A)
&rst
ixpk= 2452, nxpk= 20, iat=1984, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1975,1976,
&end
#
# 127 HIS HN 127 HIS HB- 5.50 (# 2453:20 Unique 2.80, 3.59 A)
&rst
ixpk= 2453, nxpk= 20, iat=1971, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1975,1976,
&end
#
# 127 HIS HN 127 HIS HB+ 5.50 (# 2454:20 Unique 2.80, 3.59 A)
&rst
ixpk= 2454, nxpk= 20, iat=1971, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1975,1976,
&end
#
# 127 HIS HD2 127 HIS HB- 5.50 (# 2455:20 Unique 2.69, 3.25 A)
&rst
ixpk= 2455, nxpk= 20, iat=1984, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1975,1976,
&end
#
# 0 AMB 20-2:2456 138 ILE HG1- 2.80 (# 2456:20 Single Ambig)
&rst
ixpk= 2456, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2146,2147,2148, 283, 284, 285,
igr2=2143,2144,
&end
#
# 138 ILE HA 138 ILE HG1- 4.50 (# 2457:20 Unique 2.32, 3.14 A)
&rst
ixpk= 2457, nxpk= 20, iat=2135, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2143,2144,
&end
#
# 137 MET HN 137 MET HG+ 5.50 (# 2458:20 Unique 2.21, 3.15 A)
&rst
ixpk= 2458, nxpk= 20, iat=2116, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2123,2124,
&end
#
# 137 MET HA 137 MET HG+ 5.50 (# 2460:20 Unique 2.52, 3.31 A)
&rst
ixpk= 2460, nxpk= 20, iat=2118, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2123,2124,
&end
#
# 134 VAL HA 137 MET HG+ 5.50 (# 2461:20 Unique 1.86, 2.94 A)
&rst
ixpk= 2461, nxpk= 20, iat=2077, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2123,2124,
&end
#
# 35 TYR HN 33 PRO HB+ 5.50 (# 2462:20 Unique 2.61, 3.73 A)
&rst
ixpk= 2462, nxpk= 20, iat= 556, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 537, 538,
&end
#
# 35 TYR HD 33 PRO HB+ 5.50 (# 2463:20 Unique 3.28, 4.62 A)
&rst
ixpk= 2463, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 564, 573,
igr2= 537, 538,
&end
#
# 35 TYR HD 33 PRO HB- 5.50 (# 2464:20 Unique 3.28, 4.62 A)
&rst
ixpk= 2464, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 564, 573,
igr2= 537, 538,
&end
#
# 33 PRO HD+ 33 PRO HB- 5.50 (# 2465:20 Unique 2.98, 3.70 A)
&rst
ixpk= 2465, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 531, 532,
igr2= 537, 538,
&end
#
# 33 PRO HD+ 33 PRO HB+ 5.50 (# 2466:20 Unique 2.98, 3.70 A)
&rst
ixpk= 2466, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 531, 532,
igr2= 537, 538,
&end
#
# 33 PRO HD- 33 PRO HB+ 5.50 (# 2467:20 Unique 2.98, 3.70 A)
&rst
ixpk= 2467, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 531, 532,
igr2= 537, 538,
&end
#
# 33 PRO HD- 33 PRO HB- 5.50 (# 2468:20 Unique 2.98, 3.70 A)
&rst
ixpk= 2468, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 531, 532,
igr2= 537, 538,
&end
#
# 33 PRO HG+ 33 PRO HB+ 4.50 (# 2469:20 Unique 2.32, 2.58 A)
&rst
ixpk= 2469, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 534, 535,
igr2= 537, 538,
&end
#
# 0 AMB 20-2:2470 33 PRO HB- 4.50 (# 2470:20 Single Ambig)
&rst
ixpk= 2470, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 583, 584, 585, 587, 588, 589, 583, 584, 585, 587,
588, 589,
igr2= 537, 538,
&end
#
# 30 TYR HD 29 ARG HB+ 5.50 (# 2471:20 Unique 2.17, 4.18 A)
&rst
ixpk= 2471, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 479, 488,
igr2= 451, 452,
&end
#
# 30 TYR HD 29 ARG HB- 5.50 (# 2472:20 Unique 2.17, 4.18 A)
&rst
ixpk= 2472, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 479, 488,
igr2= 451, 452,
&end
#
# 29 ARG HD+ 29 ARG HB+ 5.50 (# 2473:20 Unique 2.10, 3.30 A)
&rst
ixpk= 2473, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 457, 458,
igr2= 451, 452,
&end
#
# 29 ARG HD+ 29 ARG HB- 5.50 (# 2474:20 Unique 2.10, 3.30 A)
&rst
ixpk= 2474, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 457, 458,
igr2= 451, 452,
&end
#
# 58 LEU HN 113 LYS HB+ 4.50 (# 2475:20 Unique 3.60, 4.58 A)
&rst
ixpk= 2475, nxpk= 20, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1755,1756,
&end
#
# 114 LEU HN 113 LYS HB- 5.50 (# 2476:20 Unique 3.67, 4.28 A)
&rst
ixpk= 2476, nxpk= 20, iat=1773, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1755,1756,
&end
#
# 76 ILE HN 75 MET HB- 5.50 (# 2477:20 Unique 2.99, 3.89 A)
&rst
ixpk= 2477, nxpk= 20, iat=1162, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1149,1150,
&end
#
# 75 MET HN 75 MET HB+ 5.50 (# 2478:20 Unique 2.42, 3.01 A)
&rst
ixpk= 2478, nxpk= 20, iat=1145, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1149,1150,
&end
#
# 76 ILE HN 75 MET HB+ 3.50 (# 2479:20 Unique 2.99, 3.89 A)
&rst
ixpk= 2479, nxpk= 20, iat=1162, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1149,1150,
&end
#
# 75 MET HG- 75 MET HB+ 2.80 (# 2480:20 Unique 2.29, 2.72 A)
&rst
ixpk= 2480, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1152,1153,
igr2=1149,1150,
&end
#
# 75 MET HG+ 75 MET HB+ 2.80 (# 2481:20 Unique 2.29, 2.72 A)
&rst
ixpk= 2481, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1152,1153,
igr2=1149,1150,
&end
#
# 75 MET HG+ 75 MET HB- 3.50 (# 2482:20 Unique 2.29, 2.72 A)
&rst
ixpk= 2482, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1152,1153,
igr2=1149,1150,
&end
#
# 0 AMB 20-2:2484 0 AMB 20-1:2484 5.50 (# 2484:20 Double Ambig)
&rst
ixpk= 2484, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
igr1= 813, 814, 815, 840, 841,
igr2= 823, 824, 823, 824,
&end
#
# 54 ASN HD2- 54 ASN HB+ 5.50 (# 2485:20 Unique 2.12, 3.33 A)
&rst
ixpk= 2485, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 828, 829,
igr2= 823, 824,
&end
#
# 54 ASN HN 54 ASN HB+ 5.50 (# 2486:20 Unique 2.11, 3.18 A)
&rst
ixpk= 2486, nxpk= 20, iat= 819, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 823, 824,
&end
#
# 54 ASN HN 54 ASN HB- 5.50 (# 2487:20 Unique 2.11, 3.18 A)
&rst
ixpk= 2487, nxpk= 20, iat= 819, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 823, 824,
&end
#
# 86 PHE HA 86 PHE HB+ 4.50 (# 2488:20 Unique 2.42, 2.74 A)
&rst
ixpk= 2488, nxpk= 20, iat=1327, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1329,1330,
&end
#
# 0 AMB 20-2:2489 0 AMB 20-1:2489 5.50 (# 2489:20 Double Ambig)
&rst
ixpk= 2489, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1292,1475,
igr2=1329,1330,1329,1330,
&end
#
# 0 AMB 20-2:2490 86 PHE HB- 5.50 (# 2490:20 Single Ambig)
&rst
ixpk= 2490, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1292,1475,
igr2=1329,1330,
&end
#
# 86 PHE HD 86 PHE HB+ 5.50 (# 2491:20 Unique 2.29, 3.06 A)
&rst
ixpk= 2491, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1333,1341,
igr2=1329,1330,
&end
#
# 86 PHE HN 86 PHE HB+ 5.50 (# 2492:20 Unique 2.53, 3.11 A)
&rst
ixpk= 2492, nxpk= 20, iat=1325, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1329,1330,
&end
#
# 0 AMB 20-2:2493 149 LEU HB- 5.50 (# 2493:20 Single Ambig)
&rst
ixpk= 2493, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2304,2323,2324,
igr2=2301,2302,
&end
#
# 154 VAL HB 149 LEU HB- 4.50 (# 2494:20 Unique 1.88, 2.78 A)
&rst
ixpk= 2494, nxpk= 20, iat=2377, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2301,2302,
&end
#
# 149 LEU HN 149 LEU HB- 4.50 (# 2495:20 Unique 2.17, 2.88 A)
&rst
ixpk= 2495, nxpk= 20, iat=2297, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2301,2302,
&end
#
# 146 LEU HG 146 LEU HB- 3.50 (# 2496:20 Unique 2.30, 2.77 A)
&rst
ixpk= 2496, nxpk= 20, iat=2265, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2262,2263,
&end
#
# 143 GLU HA 146 LEU HB- 4.50 (# 2497:20 Unique 2.86, 3.78 A)
&rst
ixpk= 2497, nxpk= 20, iat=2212, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2262,2263,
&end
#
# 147 ALA HN 146 LEU HB- 4.50 (# 2498:20 Unique 2.51, 3.16 A)
&rst
ixpk= 2498, nxpk= 20, iat=2277, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2262,2263,
&end
#
# 101 LEU HG 101 LEU HB+ 4.50 (# 2499:20 Unique 2.31, 2.44 A)
&rst
ixpk= 2499, nxpk= 20, iat=1563, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1560,1561,
&end
#
# 0 AMB 20-2:2501 48 LEU HB- 2.80 (# 2501:20 Single Ambig)
&rst
ixpk= 2501, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 108, 109, 110, 112, 113, 114, 744, 745, 746, 748,
749, 750, 744, 745, 746, 748, 749, 750,
igr2= 739, 740,
&end
#
# 57 HIS HN 56 ASP HB+ 5.50 (# 2502:20 Unique 2.23, 2.94 A)
&rst
ixpk= 2502, nxpk= 20, iat= 869, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 861, 862,
&end
#
# 57 HIS HN 56 ASP HB- 5.50 (# 2503:20 Unique 2.23, 2.94 A)
&rst
ixpk= 2503, nxpk= 20, iat= 869, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 861, 862,
&end
#
# 30 TYR HA 158 PRO HA 3.50 (# 2504:20 Unique 2.91, 3.03 A)
&rst
ixpk= 2504, nxpk= 20, iat= 473,2443, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 31 ILE HN 158 PRO HA 5.50 (# 2505:20 Unique 4.22, 4.28 A)
&rst
ixpk= 2505, nxpk= 20, iat= 492,2443, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 159 ARG HB- 158 PRO HA 4.50 (# 2506:20 Unique 4.10, 4.38 A)
&rst
ixpk= 2506, nxpk= 20, iat= -1,2443, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2451,2452,
&end
#
# 0 AMB 20-2:2507 158 PRO HA 5.50 (# 2507:20 Single Ambig)
&rst
ixpk= 2507, nxpk= 20, iat= -1,2443, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2420,2421,2422,2408,2409,2410, 502, 503,
&end
#
# 15 ASP HB+ 121 PRO HA 4.50 (# 2508:20 Unique 1.97, 2.75 A)
&rst
ixpk= 2508, nxpk= 20, iat= -1,1893, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 237, 238,
&end
#
# 30 TYR HE 26 LEU HA 4.50 (# 2509:20 Unique 3.78, 5.98 A)
&rst
ixpk= 2509, nxpk= 20, iat= -1, 398, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 481, 486,
&end
#
# 115 THR HA 78 ARG HA 3.50 (# 2510:20 Unique 3.14, 3.28 A)
&rst
ixpk= 2510, nxpk= 20, iat=1794,1202, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 79 ASP HN 78 ARG HA 2.80 (# 2511:20 Unique 2.38, 2.46 A)
&rst
ixpk= 2511, nxpk= 20, iat=1224,1202, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 54 ASN HA 53 ALA HA 5.50 (# 2512:20 Unique 4.48, 4.58 A)
&rst
ixpk= 2512, nxpk= 20, iat= 821, 811, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 THR HA 71 PRO HD+ 2.80 (# 2513:20 Unique 2.16, 2.23 A)
&rst
ixpk= 2513, nxpk= 20, iat=1081, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1094,1095,
&end
#
# 70 THR HA 71 PRO HD- 2.80 (# 2514:20 Unique 2.16, 2.23 A)
&rst
ixpk= 2514, nxpk= 20, iat=1081, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1094,1095,
&end
#
# 131 THR HA 132 PRO HD+ 2.80 (# 2515:20 Unique 2.37, 2.54 A)
&rst
ixpk= 2515, nxpk= 20, iat=2035, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2048,2049,
&end
#
# 131 THR HA 132 PRO HD- 2.80 (# 2516:20 Unique 2.37, 2.54 A)
&rst
ixpk= 2516, nxpk= 20, iat=2035, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2048,2049,
&end
#
# 32 LEU HA 33 PRO HD- 2.80 (# 2517:20 Unique 2.31, 2.38 A)
&rst
ixpk= 2517, nxpk= 20, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 531, 532,
&end
#
# 110 PHE HA 111 PRO HD- 3.50 (# 2518:20 Unique 1.98, 2.18 A)
&rst
ixpk= 2518, nxpk= 20, iat=1697, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1716,1717,
&end
#
# 39 LEU HN 39 LEU HB- 4.50 (# 2519:20 Unique 2.43, 2.68 A)
&rst
ixpk= 2519, nxpk= 20, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 631, 632,
&end
#
# 0 AMB 20-2:2520 39 LEU HB- 5.50 (# 2520:20 Single Ambig)
&rst
ixpk= 2520, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 646, 608,
igr2= 631, 632,
&end
#
# 40 ASP HN 39 LEU HB+ 5.50 (# 2521:20 Unique 3.81, 4.19 A)
&rst
ixpk= 2521, nxpk= 20, iat= 646, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 631, 632,
&end
#
# 6 LEU HA 39 LEU HB+ 5.50 (# 2522:20 Unique 1.95, 2.76 A)
&rst
ixpk= 2522, nxpk= 20, iat= 101, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 631, 632,
&end
#
# 6 LEU HA 39 LEU HB- 5.50 (# 2523:20 Unique 1.95, 2.76 A)
&rst
ixpk= 2523, nxpk= 20, iat= 101, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 631, 632,
&end
#
# 62 ASP HA 19 GLY HA+ 4.50 (# 2524:20 Unique 1.89, 2.44 A)
&rst
ixpk= 2524, nxpk= 20, iat= 955, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 291, 292,
&end
#
# 62 ASP HA 19 GLY HA- 4.50 (# 2525:20 Unique 1.89, 2.44 A)
&rst
ixpk= 2525, nxpk= 20, iat= 955, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 291, 292,
&end
#
# 20 VAL HN 19 GLY HA+ 5.50 (# 2526:20 Unique 2.73, 3.18 A)
&rst
ixpk= 2526, nxpk= 20, iat= 296, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 291, 292,
&end
#
# 6 LEU HN 6 LEU HB- 4.50 (# 2527:20 Unique 2.08, 2.77 A)
&rst
ixpk= 2527, nxpk= 20, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 103, 104,
&end
#
# 0 AMB 20-2:2531 17 ALA MB 5.50 (# 2531:20 Single Ambig)
&rst
ixpk= 2531, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 219, 245,
igr2= 264, 265, 266,
&end
#
# 11 ILE HN 17 ALA MB 5.50 (# 2532:20 Unique 4.75, 5.52 A)
&rst
ixpk= 2532, nxpk= 20, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 264, 265, 266,
&end
#
# 21 ARG HE 17 ALA MB 5.50 (# 2533:20 Unique 1.94, 2.54 A)
&rst
ixpk= 2533, nxpk= 20, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 264, 265, 266,
&end
#
# 0 AMB 20-2:2534 17 ALA MB 2.80 (# 2534:20 Single Ambig)
&rst
ixpk= 2534, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 168, 169, 170,2023,2024,2025,2027,2028,2029,
igr2= 264, 265, 266,
&end
#
# 22 ILE HA 22 ILE HG1- 4.50 (# 2535:20 Unique 2.24, 3.11 A)
&rst
ixpk= 2535, nxpk= 20, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 346, 347,
&end
#
# 0 AMB 20-2:2536 22 ILE HG1- 2.80 (# 2536:20 Single Ambig)
&rst
ixpk= 2536, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 342, 343, 344, 349, 350, 351,
igr2= 346, 347,
&end
#
# 22 ILE HN 22 ILE HG1- 5.50 (# 2537:20 Unique 1.95, 3.04 A)
&rst
ixpk= 2537, nxpk= 20, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 346, 347,
&end
#
# 0 AMB 20-2:2538 137 MET HG- 5.50 (# 2538:20 Single Ambig)
&rst
ixpk= 2538, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1854,1855,1856,1858,1859,1860, 283, 284, 285,
igr2=2123,2124,
&end
#
# 0 AMB 20-2:2539 46 MET HG- 4.50 (# 2539:20 Single Ambig)
&rst
ixpk= 2539, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1546,1547,1548,1550,1551,1552,1546,1547,1548,1550,
1551,1552,
igr2= 710, 711,
&end
#
# 0 AMB 20-2:2540 0 AMB 20-1:2540 5.50 (# 2540:20 Double Ambig)
&rst
ixpk= 2540, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=1546,1547,1548,1550,1551,1552,1546,1547,1548,1550,
1551,1552,
igr2= 710, 711, 710, 711,
&end
#
# 36 VAL HN 33 PRO HB- 5.50 (# 2541:20 Unique 3.21, 4.01 A)
&rst
ixpk= 2541, nxpk= 20, iat= 577, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 537, 538,
&end
#
# 30 TYR HE 29 ARG HB+ 5.50 (# 2542:20 Unique 2.56, 4.72 A)
&rst
ixpk= 2542, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 481, 486,
igr2= 451, 452,
&end
#
# 30 TYR HE 29 ARG HB- 5.50 (# 2543:20 Unique 2.56, 4.72 A)
&rst
ixpk= 2543, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 481, 486,
igr2= 451, 452,
&end
#
# 28 GLN HE2+ 28 GLN HG- 5.50 (# 2544:20 Unique 2.12, 3.33 A)
&rst
ixpk= 2544, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 442, 443,
igr2= 437, 438,
&end
#
# 78 ARG HD- 78 ARG HB+ 3.50 (# 2545:20 Unique 2.02, 3.10 A)
&rst
ixpk= 2545, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1210,1211,
igr2=1204,1205,
&end
#
# 78 ARG HN 78 ARG HB- 5.50 (# 2546:20 Unique 2.21, 2.88 A)
&rst
ixpk= 2546, nxpk= 20, iat=1200, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1204,1205,
&end
#
# 78 ARG HN 78 ARG HB+ 5.50 (# 2547:20 Unique 2.21, 2.88 A)
&rst
ixpk= 2547, nxpk= 20, iat=1200, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1204,1205,
&end
#
# 79 ASP HN 78 ARG HB+ 5.50 (# 2548:20 Unique 2.38, 3.16 A)
&rst
ixpk= 2548, nxpk= 20, iat=1224, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1204,1205,
&end
#
# 79 ASP HN 78 ARG HB- 5.50 (# 2549:20 Unique 2.38, 3.16 A)
&rst
ixpk= 2549, nxpk= 20, iat=1224, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1204,1205,
&end
#
# 52 MET HG+ 52 MET HB+ 5.50 (# 2550:20 Unique 2.21, 2.71 A)
&rst
ixpk= 2550, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 799, 800,
igr2= 796, 797,
&end
#
# 52 MET HN 52 MET HB+ 4.50 (# 2551:20 Unique 2.59, 3.34 A)
&rst
ixpk= 2551, nxpk= 20, iat= 792, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 796, 797,
&end
#
# 0 AMB 20-2:2552 0 AMB 20-1:2552 3.50 (# 2552:20 Double Ambig)
&rst
ixpk= 2552, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1761,1762,1758,1759,
igr2=1755,1756,1755,1756,
&end
#
# 0 AMB 20-2:2553 113 LYS HB- 3.50 (# 2553:20 Single Ambig)
&rst
ixpk= 2553, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1761,1762,1758,1759,
igr2=1755,1756,
&end
#
# 52 MET HN 51 ASP HB+ 5.50 (# 2554:20 Unique 2.17, 3.53 A)
&rst
ixpk= 2554, nxpk= 20, iat= 792, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 784, 785,
&end
#
# 3 ILE MD1 1 MET HB+ 5.50 (# 2555:20 Unique 2.90, 4.79 A)
&rst
ixpk= 2555, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 58, 59, 60,
igr2= 8, 9,
&end
#
# 1 MET ME 1 MET HB- 4.50 (# 2556:20 Unique 2.37, 4.46 A)
&rst
ixpk= 2556, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 15, 16, 17,
igr2= 8, 9,
&end
#
# 1 MET ME 1 MET HB+ 5.50 (# 2557:20 Unique 2.37, 4.46 A)
&rst
ixpk= 2557, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 15, 16, 17,
igr2= 8, 9,
&end
#
# 1 MET HG- 1 MET HB- 5.50 (# 2558:20 Unique 2.25, 2.70 A)
&rst
ixpk= 2558, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 11, 12,
igr2= 8, 9,
&end
#
# 1 MET HA 1 MET HB+ 5.50 (# 2559:20 Unique 2.37, 2.63 A)
&rst
ixpk= 2559, nxpk= 20, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 8, 9,
&end
#
# 3 ILE HN 2 ARG HA 2.80 (# 2563:20 Unique 2.15, 2.19 A)
&rst
ixpk= 2563, nxpk= 20, iat= 45, 23, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 3 ILE HN 2 ARG HB- 5.50 (# 2564:20 Unique 2.98, 3.51 A)
&rst
ixpk= 2564, nxpk= 20, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 25, 26,
&end
#
# 56 ASP HN 2 ARG HB- 5.50 (# 2565:20 Unique 2.00, 3.60 A)
&rst
ixpk= 2565, nxpk= 20, iat= 857, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 25, 26,
&end
#
# 2 ARG HA 2 ARG HB- 5.50 (# 2566:20 Unique 2.27, 2.55 A)
&rst
ixpk= 2566, nxpk= 20, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 25, 26,
&end
#
# 2 ARG HA 2 ARG HB+ 5.50 (# 2567:20 Unique 2.27, 2.55 A)
&rst
ixpk= 2567, nxpk= 20, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 25, 26,
&end
#
# 55 ARG HA 2 ARG HB- 5.50 (# 2568:20 Unique 2.00, 3.61 A)
&rst
ixpk= 2568, nxpk= 20, iat= 835, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 25, 26,
&end
#
# 2 ARG HD- 2 ARG HB- 5.50 (# 2569:20 Unique 2.01, 3.16 A)
&rst
ixpk= 2569, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 31, 32,
igr2= 25, 26,
&end
#
# 3 ILE HA 3 ILE HB 5.50 (# 2570:20 Unique 3.01, 3.01 A)
&rst
ixpk= 2570, nxpk= 20, iat= 47, 49, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 3 ILE MG2 3 ILE HB 3.50 (# 2571:20 Unique 2.29, 2.63 A)
&rst
ixpk= 2571, nxpk= 20, iat= -1, 49, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 51, 52, 53,
&end
#
# 6 LEU MDY 4 LEU HB+ 2.80 (# 2572:20 Unique 3.19, 5.83 A)
&rst
ixpk= 2572, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 108, 109, 110, 112, 113, 114,
igr2= 68, 69,
&end
#
# 4 LEU HA 4 LEU HB+ 4.50 (# 2573:20 Unique 2.48, 2.83 A)
&rst
ixpk= 2573, nxpk= 20, iat= 66, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 68, 69,
&end
#
# 0 AMB 20-2:2574 5 VAL HA 5.50 (# 2574:20 Single Ambig)
&rst
ixpk= 2574, nxpk= 20, iat= -1, 85, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 909, 893,
&end
#
# 0 AMB 20-2:2575 5 VAL HA 4.50 (# 2575:20 Single Ambig)
&rst
ixpk= 2575, nxpk= 20, iat= -1, 85, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 89, 90, 91, 93, 94, 95, 89, 90, 91, 93,
94, 95,
&end
#
# 0 AMB 20-2:2576 5 VAL HA 5.50 (# 2576:20 Single Ambig)
&rst
ixpk= 2576, nxpk= 20, iat= -1, 85, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 915, 916, 108, 109, 110, 112, 113, 114,
&end
#
# 59 ILE HN 5 VAL HA 4.50 (# 2578:20 Unique 1.86, 2.08 A)
&rst
ixpk= 2578, nxpk= 20, iat= 905, 85, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 LEU HN 5 VAL HA 4.50 (# 2579:20 Unique 2.14, 2.16 A)
&rst
ixpk= 2579, nxpk= 20, iat= 99, 85, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:2580 0 AMB 20-1:2580 2.80 (# 2580:20 Double Ambig)
&rst
ixpk= 2580, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=2248,2249,2250,2252,2253,2254, 614, 615, 616, 405,
406, 407, 409, 410, 411,1565,1566,1567,1569,1570,
1571,1877,1878,1879,
igr2= 87,1544,1100,1101,
&end
#
# 6 LEU HN 6 LEU HA 5.50 (# 2581:20 Unique 2.87, 2.90 A)
&rst
ixpk= 2581, nxpk= 20, iat= 99, 101, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2582 6 LEU HB- 5.50 (# 2582:20 Single Ambig)
&rst
ixpk= 2582, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 118, 905,
igr2= 103, 104,
&end
#
# 6 LEU HG 6 LEU HB- 4.50 (# 2583:20 Unique 2.38, 2.43 A)
&rst
ixpk= 2583, nxpk= 20, iat= 106, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 103, 104,
&end
#
# 0 AMB 20-2:2584 6 LEU HB- 2.80 (# 2584:20 Single Ambig)
&rst
ixpk= 2584, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 744, 745, 746, 748, 749, 750, 895, 896, 897, 899,
900, 901, 131, 132, 133, 135, 136, 137, 131, 132,
133, 135, 136, 137,
igr2= 103, 104,
&end
#
# 61 ALA HN 7 GLY HA- 5.50 (# 2585:20 Unique 2.28, 3.41 A)
&rst
ixpk= 2585, nxpk= 20, iat= 943, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 120, 121,
&end
#
# 0 AMB 20-2:2586 7 GLY HA- 5.50 (# 2586:20 Single Ambig)
&rst
ixpk= 2586, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 926, 101,
igr2= 120, 121,
&end
#
# 0 AMB 20-2:2588 7 GLY HA- 5.50 (# 2588:20 Single Ambig)
&rst
ixpk= 2588, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 359, 129,
igr2= 120, 121,
&end
#
# 61 ALA MB 7 GLY HA- 5.50 (# 2589:20 Unique 2.19, 4.23 A)
&rst
ixpk= 2589, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 947, 948, 949,
igr2= 120, 121,
&end
#
# 23 VAL MGY 7 GLY HA- 3.50 (# 2590:20 Unique 1.99, 3.81 A)
&rst
ixpk= 2590, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 361, 362, 363, 365, 366, 367,
igr2= 120, 121,
&end
#
# 0 AMB 20-2:2591 7 GLY HA- 2.80 (# 2591:20 Single Ambig)
&rst
ixpk= 2591, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 361, 362, 363, 365, 366, 367, 930, 931, 932,
igr2= 120, 121,
&end
#
# 30 TYR HD 155 GLU HG+ 5.50 (# 2592:20 Unique 6.25, 8.83 A)
&rst
ixpk= 2592, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 479, 488,
igr2=2396,2397,
&end
#
# 0 AMB 20-2:2593 8 VAL HB 4.50 (# 2593:20 Single Ambig)
&rst
ixpk= 2593, nxpk= 20, iat= -1, 129, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 302, 303, 304, 306, 307, 308, 302, 303, 304, 306,
307, 308, 108, 109, 110, 112, 113, 114,
&end
#
# 0 AMB 20-2:2594 8 VAL HB 4.50 (# 2594:20 Single Ambig)
&rst
ixpk= 2594, nxpk= 20, iat= -1, 129, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1508,1509,1510,1512,1513,1514,1508,1509,1510,1512,
1513,1514,
&end
#
# 45 GLY HN 9 GLY HA+ 5.50 (# 2595:20 Unique 5.66, 6.68 A)
&rst
ixpk= 2595, nxpk= 20, iat= 696, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 143, 144,
&end
#
# 0 AMB 20-2:2596 0 AMB 20-1:2596 5.50 (# 2596:20 Double Ambig)
&rst
ixpk= 2596, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.00, r4=12.50,
igr1= 302, 303, 304, 306, 307, 308, 302, 303, 304, 306,
307, 308, 209, 210, 211, 213, 214, 215,
igr2= 143, 144, 143, 144, 143, 144,
&end
#
# 0 AMB 20-2:2597 0 AMB 20-1:2597 5.50 (# 2597:20 Double Ambig)
&rst
ixpk= 2597, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 252, 253, 252, 253, 249, 250,
igr2= 143, 144, 143, 144, 143, 144,
&end
#
# 10 ASN HB+ 10 ASN HA 4.50 (# 2598:20 Unique 2.31, 2.80 A)
&rst
ixpk= 2598, nxpk= 20, iat= -1, 150, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 152, 153,
&end
#
# 0 AMB 20-2:2599 0 AMB 20-1:2599 4.50 (# 2599:20 Double Ambig)
&rst
ixpk= 2599, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 150, 676,
igr2= 152, 153, 152, 153,
&end
#
# 10 ASN HD2+ 10 ASN HB+ 5.50 (# 2600:20 Unique 2.14, 3.35 A)
&rst
ixpk= 2600, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 157, 158,
igr2= 152, 153,
&end
#
# 10 ASN HD2+ 10 ASN HB- 4.50 (# 2601:20 Unique 2.14, 3.35 A)
&rst
ixpk= 2601, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 157, 158,
igr2= 152, 153,
&end
#
# 0 AMB 20-2:2602 11 ILE HA 4.50 (# 2602:20 Single Ambig)
&rst
ixpk= 2602, nxpk= 20, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 175, 176, 177, 190, 191, 192, 194, 195, 196,
&end
#
# 0 AMB 20-2:2603 11 ILE HB 4.50 (# 2603:20 Single Ambig)
&rst
ixpk= 2603, nxpk= 20, iat= -1, 166, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 264, 265, 266, 188,
&end
#
# 0 AMB 20-2:2605 11 ILE HB 5.50 (# 2605:20 Single Ambig)
&rst
ixpk= 2605, nxpk= 20, iat= -1, 166, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 181, 260,
&end
#
# 11 ILE HN 11 ILE HB 5.50 (# 2606:20 Unique 3.61, 3.67 A)
&rst
ixpk= 2606, nxpk= 20, iat= 162, 166, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2607 0 AMB 20-1:2607 5.50 (# 2607:20 Double Ambig)
&rst
ixpk= 2607, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 157, 158, 157, 158,
igr2= 185, 186, 185, 186,
&end
#
# 13 LEU HN 0 AMB 20-1:2608 5.50 (# 2608:20 Single Ambig)
&rst
ixpk= 2608, nxpk= 20, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 185, 186, 185, 186,
&end
#
# 13 LEU HG 0 AMB 20-1:2609 4.50 (# 2609:20 Single Ambig)
&rst
ixpk= 2609, nxpk= 20, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 185, 186, 185, 186,
&end
#
# 0 AMB 20-2:2610 0 AMB 20-1:2610 2.80 (# 2610:20 Double Ambig)
&rst
ixpk= 2610, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 190, 191, 192, 194, 195, 196,1998,1999, 209, 210,
211, 213, 214, 215,
igr2= 185, 186, 185, 186, 185, 186,
&end
#
# 0 AMB 20-2:2611 0 AMB 20-1:2611 2.80 (# 2611:20 Double Ambig)
&rst
ixpk= 2611, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 190, 191, 192, 194, 195, 196,2001,2002,2003,
igr2= 185, 186, 185, 186, 185, 186,
&end
#
# 13 LEU MDX 13 LEU HA 3.50 (# 2612:20 Unique 1.89, 3.63 A)
&rst
ixpk= 2612, nxpk= 20, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 209, 210, 211, 213, 214, 215,
&end
#
# 0 AMB 20-2:2613 13 LEU HA 5.50 (# 2613:20 Single Ambig)
&rst
ixpk= 2613, nxpk= 20, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 204, 205, 185, 186,
&end
#
# 127 HIS HN 13 LEU HA 3.50 (# 2614:20 Unique 2.48, 2.76 A)
&rst
ixpk= 2614, nxpk= 20, iat=1971, 202, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 13 LEU HG 13 LEU HB+ 4.50 (# 2615:20 Unique 2.27, 2.62 A)
&rst
ixpk= 2615, nxpk= 20, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 204, 205,
&end
#
# 0 AMB 20-2:2616 13 LEU HB- 5.50 (# 2616:20 Single Ambig)
&rst
ixpk= 2616, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 249, 250, 252, 253, 252, 253,
igr2= 204, 205,
&end
#
# 0 AMB 20-2:2617 0 AMB 20-1:2617 5.50 (# 2617:20 Double Ambig)
&rst
ixpk= 2617, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 249, 250, 252, 253, 252, 253,
igr2= 204, 205, 204, 205, 204, 205,
&end
#
# 0 AMB 20-2:2618 0 AMB 20-1:2618 4.50 (# 2618:20 Double Ambig)
&rst
ixpk= 2618, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 202,1925,
igr2= 204, 205, 204, 205,
&end
#
# 13 LEU HN 13 LEU HB+ 5.50 (# 2619:20 Unique 2.20, 2.95 A)
&rst
ixpk= 2619, nxpk= 20, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 204, 205,
&end
#
# 13 LEU HN 13 LEU HB- 5.50 (# 2620:20 Unique 2.20, 2.95 A)
&rst
ixpk= 2620, nxpk= 20, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 204, 205,
&end
#
# 15 ASP HN 14 THR HA 5.50 (# 2621:20 Unique 3.35, 3.46 A)
&rst
ixpk= 2621, nxpk= 20, iat= 233, 221, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2622 14 THR HA 5.50 (# 2622:20 Single Ambig)
&rst
ixpk= 2622, nxpk= 20, iat= -1, 221, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 202,1925,1967,
&end
#
# 128 ILE HA 14 THR HA 3.50 (# 2623:20 Unique 1.91, 2.91 A)
&rst
ixpk= 2623, nxpk= 20, iat=1990, 221, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 125 GLU HN 14 THR HB 5.50 (# 2624:20 Unique 2.00, 2.73 A)
&rst
ixpk= 2624, nxpk= 20, iat=1942, 223, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2625 14 THR HB 4.50 (# 2625:20 Single Ambig)
&rst
ixpk= 2625, nxpk= 20, iat= -1, 223, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1925, 202,
&end
#
# 14 THR HA 14 THR HB 4.50 (# 2626:20 Unique 3.02, 3.02 A)
&rst
ixpk= 2626, nxpk= 20, iat= 221, 223, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:2627 14 THR HB 5.50 (# 2627:20 Single Ambig)
&rst
ixpk= 2627, nxpk= 20, iat= -1, 223, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1932,1933,1934,1936,1937,1938,2023,2024,2025,2027,
2028,2029,2081,2082,2083,2085,2086,2087,
&end
#
# 0 AMB 20-2:2628 15 ASP HA 2.80 (# 2628:20 Single Ambig)
&rst
ixpk= 2628, nxpk= 20, iat= -1, 235, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2023,2024,2025,2027,2028,2029,2081,2082,2083,2085,
2086,2087,
&end
#
# 15 ASP HA 15 ASP HB+ 4.50 (# 2629:20 Unique 2.24, 2.65 A)
&rst
ixpk= 2629, nxpk= 20, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 237, 238,
&end
#
# 121 PRO HA 15 ASP HB+ 5.50 (# 2631:20 Unique 1.97, 2.75 A)
&rst
ixpk= 2631, nxpk= 20, iat=1893, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 237, 238,
&end
#
# 0 AMB 20-2:2632 0 AMB 20-1:2632 2.80 (# 2632:20 Double Ambig)
&rst
ixpk= 2632, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 314,1697,
igr2= 322, 323,1699,1700,
&end
#
# 15 ASP HN 15 ASP HB+ 5.50 (# 2633:20 Unique 2.64, 3.18 A)
&rst
ixpk= 2633, nxpk= 20, iat= 233, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 237, 238,
&end
#
# 15 ASP HN 15 ASP HB- 5.50 (# 2634:20 Unique 2.64, 3.18 A)
&rst
ixpk= 2634, nxpk= 20, iat= 233, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 237, 238,
&end
#
# 0 AMB 20-2:2635 16 GLU HA 5.50 (# 2635:20 Single Ambig)
&rst
ixpk= 2635, nxpk= 20, iat= -1, 247, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1930, 204, 205,1927,1928,
&end
#
# 18 ILE HN 16 GLU HA 5.50 (# 2636:20 Unique 3.58, 3.82 A)
&rst
ixpk= 2636, nxpk= 20, iat= 270, 247, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 ALA HN 16 GLU HA 5.50 (# 2637:20 Unique 3.16, 3.45 A)
&rst
ixpk= 2637, nxpk= 20, iat= 260, 247, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 ASN HB+ 16 GLU HB+ 5.50 (# 2638:20 Unique 1.93, 3.51 A)
&rst
ixpk= 2638, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 152, 153,
igr2= 249, 250,
&end
#
# 10 ASN HB+ 16 GLU HB- 5.50 (# 2639:20 Unique 1.93, 3.51 A)
&rst
ixpk= 2639, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 152, 153,
igr2= 249, 250,
&end
#
# 0 AMB 20-2:2640 0 AMB 20-1:2640 4.50 (# 2640:20 Double Ambig)
&rst
ixpk= 2640, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 204, 205,1930,
igr2= 249, 250, 249, 250,
&end
#
# 13 LEU HB- 16 GLU HB+ 4.50 (# 2641:20 Unique 1.75, 2.58 A)
&rst
ixpk= 2641, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 204, 205,
igr2= 249, 250,
&end
#
# 0 AMB 20-2:2642 16 GLU HB- 4.50 (# 2642:20 Single Ambig)
&rst
ixpk= 2642, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 204, 205,1930,
igr2= 249, 250,
&end
#
# 13 LEU HB- 16 GLU HB- 5.50 (# 2643:20 Unique 1.75, 2.58 A)
&rst
ixpk= 2643, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 204, 205,
igr2= 249, 250,
&end
#
# 0 AMB 20-2:2644 17 ALA HA 5.50 (# 2644:20 Single Ambig)
&rst
ixpk= 2644, nxpk= 20, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2023,2024,2025,2027,2028,2029, 175, 176, 177, 283,
284, 285, 131, 132, 133, 135, 136, 137,
&end
#
# 20 VAL HN 17 ALA HA 5.50 (# 2645:20 Unique 3.03, 3.20 A)
&rst
ixpk= 2645, nxpk= 20, iat= 296, 262, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 ILE HN 17 ALA HA 5.50 (# 2646:20 Unique 3.37, 3.42 A)
&rst
ixpk= 2646, nxpk= 20, iat= 270, 262, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 130 LEU MDY 17 ALA MB 2.80 (# 2647:20 Unique 2.16, 4.70 A)
&rst
ixpk= 2647, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=2023,2024,2025,2027,2028,2029,
igr2= 264, 265, 266,
&end
#
# 0 AMB 20-2:2648 17 ALA MB 3.50 (# 2648:20 Single Ambig)
&rst
ixpk= 2648, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 302, 303, 304, 306, 307, 308,2001,2002,2003,
igr2= 264, 265, 266,
&end
#
# 11 ILE HB 17 ALA MB 4.50 (# 2649:20 Unique 2.57, 3.78 A)
&rst
ixpk= 2649, nxpk= 20, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 264, 265, 266,
&end
#
# 0 AMB 20-2:2650 17 ALA MB 4.50 (# 2650:20 Single Ambig)
&rst
ixpk= 2650, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 300, 274,
igr2= 264, 265, 266,
&end
#
# 21 ARG HD+ 17 ALA MB 5.50 (# 2651:20 Unique 2.62, 4.56 A)
&rst
ixpk= 2651, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 322, 323,
igr2= 264, 265, 266,
&end
#
# 15 ASP HA 17 ALA MB 5.50 (# 2652:20 Unique 4.41, 5.63 A)
&rst
ixpk= 2652, nxpk= 20, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 264, 265, 266,
&end
#
# 14 THR HA 17 ALA MB 5.50 (# 2653:20 Unique 3.11, 4.36 A)
&rst
ixpk= 2653, nxpk= 20, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 264, 265, 266,
&end
#
# 0 AMB 20-2:2654 18 ILE HA 3.50 (# 2654:20 Single Ambig)
&rst
ixpk= 2654, nxpk= 20, iat= -1, 272, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 280, 281, 280, 281,
&end
#
# 21 ARG HG- 18 ILE HA 4.50 (# 2655:20 Unique 1.93, 2.80 A)
&rst
ixpk= 2655, nxpk= 20, iat= -1, 272, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 319, 320,
&end
#
# 21 ARG HN 18 ILE HA 5.50 (# 2656:20 Unique 3.20, 3.52 A)
&rst
ixpk= 2656, nxpk= 20, iat= 312, 272, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 138 ILE HA 138 ILE HB 4.50 (# 2657:20 Unique 3.01, 3.01 A)
&rst
ixpk= 2657, nxpk= 20, iat=2135,2137, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:2658 19 GLY HA- 4.50 (# 2658:20 Single Ambig)
&rst
ixpk= 2658, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.05, r4= 9.55,
igr1= 131, 132, 133, 135, 136, 137, 131, 132, 133, 135,
136, 137, 361, 362, 363, 365, 366, 367, 283, 284,
285,2146,2147,2148, 930, 931, 932,1815,1816,1817,
1819,1820,1821,
igr2= 291, 292,
&end
#
# 0 AMB 20-2:2659 0 AMB 20-1:2659 5.50 (# 2659:20 Double Ambig)
&rst
ixpk= 2659, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.29, r4=15.79,
igr1= 131, 132, 133, 135, 136, 137, 131, 132, 133, 135,
136, 137, 361, 362, 363, 365, 366, 367, 283, 284,
285,2146,2147,2148, 930, 931, 932,1815,1816,1817,
1819,1820,1821,
igr2= 291, 292, 291, 292, 291, 292, 291, 292, 291, 292,
291, 292, 291, 292,
&end
#
# 18 ILE MG2 19 GLY HA+ 5.50 (# 2660:20 Unique 3.00, 4.17 A)
&rst
ixpk= 2660, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 276, 277, 278,
igr2= 291, 292,
&end
#
# 22 ILE HB 19 GLY HA- 4.50 (# 2661:20 Unique 3.47, 4.67 A)
&rst
ixpk= 2661, nxpk= 20, iat= 340, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 291, 292,
&end
#
# 20 VAL HN 19 GLY HA- 5.50 (# 2662:20 Unique 2.73, 3.18 A)
&rst
ixpk= 2662, nxpk= 20, iat= 296, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 291, 292,
&end
#
# 8 VAL HN 19 GLY HA- 5.50 (# 2663:20 Unique 3.59, 4.28 A)
&rst
ixpk= 2663, nxpk= 20, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 291, 292,
&end
#
# 8 VAL HN 19 GLY HA+ 5.50 (# 2664:20 Unique 3.59, 4.28 A)
&rst
ixpk= 2664, nxpk= 20, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 291, 292,
&end
#
# 23 VAL MGX 20 VAL HA 3.50 (# 2665:20 Unique 2.68, 4.19 A)
&rst
ixpk= 2665, nxpk= 20, iat= -1, 298, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 361, 362, 363, 365, 366, 367,
&end
#
# 23 VAL MGY 20 VAL HA 2.80 (# 2666:20 Unique 2.68, 4.19 A)
&rst
ixpk= 2666, nxpk= 20, iat= -1, 298, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 361, 362, 363, 365, 366, 367,
&end
#
# 0 AMB 20-2:2667 20 VAL HA 2.80 (# 2667:20 Single Ambig)
&rst
ixpk= 2667, nxpk= 20, iat= -1, 298, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 302, 303, 304, 306, 307, 308, 302, 303, 304, 306,
307, 308,
&end
#
# 20 VAL HB 20 VAL HA 3.50 (# 2668:20 Unique 2.96, 2.97 A)
&rst
ixpk= 2668, nxpk= 20, iat= 300, 298, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:2669 20 VAL HA 5.50 (# 2669:20 Single Ambig)
&rst
ixpk= 2669, nxpk= 20, iat= -1, 298, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 378, 379, 375, 376, 359,
&end
#
# 23 VAL HN 20 VAL HA 5.50 (# 2670:20 Unique 3.72, 3.80 A)
&rst
ixpk= 2670, nxpk= 20, iat= 355, 298, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 GLY HN 20 VAL HA 5.50 (# 2671:20 Unique 4.85, 4.95 A)
&rst
ixpk= 2671, nxpk= 20, iat= 118, 298, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 VAL HA 20 VAL HB 4.50 (# 2672:20 Unique 2.96, 2.97 A)
&rst
ixpk= 2672, nxpk= 20, iat= 298, 300, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 ILE HN 21 ARG HA 5.50 (# 2673:20 Unique 3.43, 3.45 A)
&rst
ixpk= 2673, nxpk= 20, iat= 336, 314, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 GLU HN 21 ARG HA 5.50 (# 2674:20 Unique 3.59, 3.71 A)
&rst
ixpk= 2674, nxpk= 20, iat= 371, 314, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2675 21 ARG HA 5.50 (# 2675:20 Single Ambig)
&rst
ixpk= 2675, nxpk= 20, iat= -1, 314, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 325, 355,
&end
#
# 21 ARG HD+ 21 ARG HA 3.50 (# 2676:20 Unique 2.02, 2.66 A)
&rst
ixpk= 2676, nxpk= 20, iat= -1, 314, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 322, 323,
&end
#
# 0 AMB 20-2:2677 21 ARG HA 3.50 (# 2677:20 Single Ambig)
&rst
ixpk= 2677, nxpk= 20, iat= -1, 314, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 375, 376, 378, 379,
&end
#
# 33 PRO HB+ 33 PRO HG- 2.80 (# 2679:20 Unique 2.32, 2.58 A)
&rst
ixpk= 2679, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 537, 538,
igr2= 534, 535,
&end
#
# 33 PRO HD+ 33 PRO HG- 4.50 (# 2680:20 Unique 2.30, 2.58 A)
&rst
ixpk= 2680, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 531, 532,
igr2= 534, 535,
&end
#
# 33 PRO HA 33 PRO HG- 4.50 (# 2681:20 Unique 3.85, 3.94 A)
&rst
ixpk= 2681, nxpk= 20, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 534, 535,
&end
#
# 91 SER HN 94 GLN HB+ 5.50 (# 2682:20 Unique 4.38, 6.09 A)
&rst
ixpk= 2682, nxpk= 20, iat=1414, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1460,1461,
&end
#
# 0 AMB 20-2:2683 0 AMB 20-1:2683 5.50 (# 2683:20 Double Ambig)
&rst
ixpk= 2683, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 336, 544,
igr2= 316, 317, 316, 317, 534, 535,
&end
#
# 0 AMB 20-2:2684 22 ILE HA 5.50 (# 2684:20 Single Ambig)
&rst
ixpk= 2684, nxpk= 20, iat= -1, 338, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 396, 312,
&end
#
# 25 ALA HN 22 ILE HA 4.50 (# 2685:20 Unique 3.43, 3.79 A)
&rst
ixpk= 2685, nxpk= 20, iat= 386, 338, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 23 VAL HN 22 ILE HA 5.50 (# 2686:20 Unique 3.55, 3.56 A)
&rst
ixpk= 2686, nxpk= 20, iat= 355, 338, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2687 22 ILE HA 5.50 (# 2687:20 Single Ambig)
&rst
ixpk= 2687, nxpk= 20, iat= -1, 338, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 314, 388, 373,
&end
#
# 0 AMB 20-2:2688 22 ILE HA 2.80 (# 2688:20 Single Ambig)
&rst
ixpk= 2688, nxpk= 20, iat= -1, 338, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1=2200,2201,2202,2204,2205,2206,2200,2201,2202,2204,
2205,2206, 346, 347,
&end
#
# 22 ILE HA 22 ILE HB 5.50 (# 2689:20 Unique 2.99, 3.01 A)
&rst
ixpk= 2689, nxpk= 20, iat= 338, 340, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 GLY HA- 22 ILE HB 5.50 (# 2690:20 Unique 3.47, 4.67 A)
&rst
ixpk= 2690, nxpk= 20, iat= -1, 340, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 291, 292,
&end
#
# 61 ALA MB 22 ILE HB 3.50 (# 2691:20 Unique 2.25, 2.80 A)
&rst
ixpk= 2691, nxpk= 20, iat= -1, 340, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 947, 948, 949,
&end
#
# 0 AMB 20-2:2692 22 ILE HB 3.50 (# 2692:20 Single Ambig)
&rst
ixpk= 2692, nxpk= 20, iat= -1, 340, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 346, 347, 361, 362, 363, 365, 366, 367,
&end
#
# 0 AMB 20-2:2693 22 ILE HB 2.80 (# 2693:20 Single Ambig)
&rst
ixpk= 2693, nxpk= 20, iat= -1, 340, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 349, 350, 351, 342, 343, 344,
&end
#
# 0 AMB 20-2:2694 0 AMB 20-1:2694 5.50 (# 2694:20 Double Ambig)
&rst
ixpk= 2694, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 361, 362, 363, 365, 366, 367,1546,1547,1548,1550,
1551,1552,
igr2= 373, 722,
&end
#
# 0 AMB 20-2:2695 0 AMB 20-1:2695 5.50 (# 2695:20 Double Ambig)
&rst
ixpk= 2695, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 775, 776,2368,2369,1542,2299,
igr2= 722,2342,
&end
#
# 0 AMB 20-2:2696 0 AMB 20-1:2696 4.50 (# 2696:20 Double Ambig)
&rst
ixpk= 2696, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 737,2359,2360,
igr2= 722,2342,
&end
#
# 28 GLN HG+ 25 ALA HA 5.50 (# 2698:20 Unique 2.63, 3.95 A)
&rst
ixpk= 2698, nxpk= 20, iat= -1, 388, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 437, 438,
&end
#
# 29 ARG HG- 25 ALA HA 4.50 (# 2699:20 Unique 3.47, 4.02 A)
&rst
ixpk= 2699, nxpk= 20, iat= -1, 388, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 454, 455,
&end
#
# 0 AMB 20-2:2700 0 AMB 20-1:2700 4.50 (# 2700:20 Double Ambig)
&rst
ixpk= 2700, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2075, 355,
igr2=2110,2111,2112, 390, 391, 392,
&end
#
# 0 AMB 20-2:2701 0 AMB 20-1:2701 2.80 (# 2701:20 Double Ambig)
&rst
ixpk= 2701, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1329,1330, 338,
igr2=1522,1523,1524, 390, 391, 392,
&end
#
# 0 AMB 20-2:2702 0 AMB 20-1:2702 3.50 (# 2702:20 Double Ambig)
&rst
ixpk= 2702, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 375, 376,1560,1561, 434, 435,
igr2= 390, 391, 392,1522,1523,1524,
&end
#
# 0 AMB 20-2:2704 25 ALA MB 2.80 (# 2704:20 Single Ambig)
&rst
ixpk= 2704, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 454, 455,2143,2144,
igr2= 390, 391, 392,
&end
#
# 0 AMB 20-2:2705 25 ALA MB 2.80 (# 2705:20 Single Ambig)
&rst
ixpk= 2705, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=2200,2201,2202,2204,2205,2206,2200,2201,2202,2204,
2205,2206,
igr2= 390, 391, 392,
&end
#
# 0 AMB 20-2:2706 25 ALA MB 2.80 (# 2706:20 Single Ambig)
&rst
ixpk= 2706, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=2139,2140,2141,2143,2144,
igr2= 390, 391, 392,
&end
#
# 104 LEU HN 101 LEU HA 5.50 (# 2707:20 Unique 3.23, 3.48 A)
&rst
ixpk= 2707, nxpk= 20, iat=1596,1558, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 GLN HB+ 28 GLN HA 2.80 (# 2708:20 Unique 2.27, 2.66 A)
&rst
ixpk= 2708, nxpk= 20, iat= -1, 432, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 434, 435,
&end
#
# 26 LEU HA 26 LEU HB- 3.50 (# 2709:20 Unique 2.27, 2.76 A)
&rst
ixpk= 2709, nxpk= 20, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 400, 401,
&end
#
# 0 AMB 20-2:2710 0 AMB 20-1:2710 3.50 (# 2710:20 Double Ambig)
&rst
ixpk= 2710, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 403, 618, 619,
igr2= 400, 401, 400, 401,
&end
#
# 0 AMB 20-2:2711 26 LEU HB- 2.80 (# 2711:20 Single Ambig)
&rst
ixpk= 2711, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=2200,2201,2202,2204,2205,2206,2200,2201,2202,2204,
2205,2206,
igr2= 400, 401,
&end
#
# 28 GLN HG+ 28 GLN HB+ 4.50 (# 2712:20 Unique 2.21, 2.70 A)
&rst
ixpk= 2712, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 437, 438,
igr2= 434, 435,
&end
#
# 151 GLU HG+ 151 GLU HB- 2.80 (# 2713:20 Unique 2.21, 2.65 A)
&rst
ixpk= 2713, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2347,2348,
igr2=2344,2345,
&end
#
# 0 AMB 20-2:2714 28 GLN HB- 3.50 (# 2714:20 Single Ambig)
&rst
ixpk= 2714, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 454, 455, 390, 391, 392,
igr2= 434, 435,
&end
#
# 0 AMB 20-2:2715 0 AMB 20-1:2715 3.50 (# 2715:20 Double Ambig)
&rst
ixpk= 2715, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 454, 455, 390, 391, 392,
igr2= 434, 435, 434, 435,
&end
#
# 0 AMB 20-2:2716 29 ARG HA 5.50 (# 2716:20 Single Ambig)
&rst
ixpk= 2716, nxpk= 20, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 457, 458,2457,2458,
&end
#
# 29 ARG HD- 29 ARG HB+ 5.50 (# 2717:20 Unique 2.10, 3.30 A)
&rst
ixpk= 2717, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 457, 458,
igr2= 451, 452,
&end
#
# 29 ARG HD- 29 ARG HB- 5.50 (# 2718:20 Unique 2.10, 3.30 A)
&rst
ixpk= 2718, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 457, 458,
igr2= 451, 452,
&end
#
# 30 TYR HB- 30 TYR HA 4.50 (# 2719:20 Unique 2.43, 2.74 A)
&rst
ixpk= 2719, nxpk= 20, iat= -1, 473, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 475, 476,
&end
#
# 30 TYR HB+ 30 TYR HA 4.50 (# 2720:20 Unique 2.43, 2.74 A)
&rst
ixpk= 2720, nxpk= 20, iat= -1, 473, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 475, 476,
&end
#
# 0 AMB 20-2:2721 30 TYR HA 5.50 (# 2721:20 Single Ambig)
&rst
ixpk= 2721, nxpk= 20, iat= -1, 473, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=2451,2452, 451, 452, 496,
&end
#
# 0 AMB 20-2:2722 30 TYR HA 5.50 (# 2722:20 Single Ambig)
&rst
ixpk= 2722, nxpk= 20, iat= -1, 473, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 502, 503,2420,2421,2422,2408,2409,2410,
&end
#
# 158 PRO HA 30 TYR HA 3.50 (# 2723:20 Unique 2.91, 3.03 A)
&rst
ixpk= 2723, nxpk= 20, iat=2443, 473, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 30 TYR HD 30 TYR HA 4.50 (# 2724:20 Unique 3.36, 3.59 A)
&rst
ixpk= 2724, nxpk= 20, iat= -1, 473, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 479, 488,
&end
#
# 159 ARG HN 30 TYR HA 3.50 (# 2725:20 Unique 1.84, 1.90 A)
&rst
ixpk= 2725, nxpk= 20, iat=2447, 473, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 31 ILE HN 30 TYR HA 2.80 (# 2726:20 Unique 2.19, 2.21 A)
&rst
ixpk= 2726, nxpk= 20, iat= 492, 473, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 30 TYR HN 30 TYR HB- 5.50 (# 2727:20 Unique 2.51, 3.13 A)
&rst
ixpk= 2727, nxpk= 20, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 475, 476,
&end
#
# 31 ILE HN 30 TYR HB+ 5.50 (# 2728:20 Unique 2.67, 3.50 A)
&rst
ixpk= 2728, nxpk= 20, iat= 492, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 475, 476,
&end
#
# 30 TYR HA 30 TYR HB+ 5.50 (# 2729:20 Unique 2.43, 2.74 A)
&rst
ixpk= 2729, nxpk= 20, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 475, 476,
&end
#
# 26 LEU MDX 30 TYR HB- 4.50 (# 2730:20 Unique 1.91, 5.35 A)
&rst
ixpk= 2730, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 405, 406, 407, 409, 410, 411,
igr2= 475, 476,
&end
#
# 156 ALA MB 30 TYR HB- 4.50 (# 2731:20 Unique 2.61, 4.15 A)
&rst
ixpk= 2731, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2408,2409,2410,
igr2= 475, 476,
&end
#
# 32 LEU MDX 31 ILE HA 4.50 (# 2732:20 Unique 3.31, 4.84 A)
&rst
ixpk= 2732, nxpk= 20, iat= -1, 494, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 520, 521, 522, 524, 525, 526,
&end
#
# 157 ILE HB 31 ILE HB 2.80 (# 2733:20 Unique 2.16, 2.34 A)
&rst
ixpk= 2733, nxpk= 20, iat=2418, 496, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 31 ILE HG1+ 31 ILE HB 4.50 (# 2734:20 Unique 2.42, 2.46 A)
&rst
ixpk= 2734, nxpk= 20, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 502, 503,
&end
#
# 0 AMB 20-2:2735 31 ILE HB 3.50 (# 2735:20 Single Ambig)
&rst
ixpk= 2735, nxpk= 20, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 502, 503,2420,2421,2422,
&end
#
# 0 AMB 20-2:2736 31 ILE HB 2.80 (# 2736:20 Single Ambig)
&rst
ixpk= 2736, nxpk= 20, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 498, 499, 500,2427,2428,2429,
&end
#
# 157 ILE HG1- 31 ILE HB 5.50 (# 2737:20 Unique 4.01, 4.61 A)
&rst
ixpk= 2737, nxpk= 20, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2424,2425,
&end
#
# 0 AMB 20-2:2738 79 ASP HB- 5.50 (# 2738:20 Single Ambig)
&rst
ixpk= 2738, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1243,1244,1243,1244,
igr2=1228,1229,
&end
#
# 35 TYR HN 35 TYR HB+ 5.50 (# 2739:20 Unique 2.79, 3.19 A)
&rst
ixpk= 2739, nxpk= 20, iat= 556, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 560, 561,
&end
#
# 37 GLU HA 36 VAL HA 4.50 (# 2742:20 Unique 4.39, 4.40 A)
&rst
ixpk= 2742, nxpk= 20, iat= 595, 579, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 32 LEU HB+ 36 VAL HB 4.50 (# 2743:20 Unique 2.05, 2.86 A)
&rst
ixpk= 2743, nxpk= 20, iat= -1, 581, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 515, 516,
&end
#
# 0 AMB 20-2:2744 37 GLU HA 5.50 (# 2744:20 Single Ambig)
&rst
ixpk= 2744, nxpk= 20, iat= -1, 595, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 583, 584, 585, 587, 588, 589, 89, 90, 91, 93,
94, 95, 405, 406, 407, 409, 410, 411,
&end
#
# 0 AMB 20-2:2745 0 AMB 20-1:2745 2.80 (# 2745:20 Double Ambig)
&rst
ixpk= 2745, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 600, 601, 600, 601,
igr2= 597, 598, 597, 598,
&end
#
# 39 LEU HN 38 ILE HB 5.50 (# 2746:20 Unique 3.27, 3.46 A)
&rst
ixpk= 2746, nxpk= 20, iat= 627, 612, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 GLU HA 38 ILE HB 5.50 (# 2747:20 Unique 5.55, 5.65 A)
&rst
ixpk= 2747, nxpk= 20, iat= 595, 612, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2748 38 ILE HB 5.50 (# 2748:20 Single Ambig)
&rst
ixpk= 2748, nxpk= 20, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 359, 419, 420,
&end
#
# 0 AMB 20-2:2749 38 ILE HB 5.50 (# 2749:20 Single Ambig)
&rst
ixpk= 2749, nxpk= 20, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 87, 597, 598, 597, 598,
&end
#
# 38 ILE HG1- 38 ILE HB 2.80 (# 2750:20 Unique 2.30, 2.58 A)
&rst
ixpk= 2750, nxpk= 20, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 618, 619,
&end
#
# 0 AMB 20-2:2751 38 ILE HB 2.80 (# 2751:20 Single Ambig)
&rst
ixpk= 2751, nxpk= 20, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 614, 615, 616, 621, 622, 623,
&end
#
# 0 AMB 20-2:2752 0 AMB 20-1:2752 5.50 (# 2752:20 Double Ambig)
&rst
ixpk= 2752, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.00, r4=11.50,
igr1= 103, 104, 597, 598, 597, 598, 739, 740,
igr2= 631, 632, 631, 632, 631, 632, 631, 632,
&end
#
# 0 AMB 20-2:2753 39 LEU HB- 5.50 (# 2753:20 Single Ambig)
&rst
ixpk= 2753, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
igr1= 103, 104, 597, 598, 597, 598, 87,
igr2= 631, 632,
&end
#
# 0 AMB 20-2:2754 39 LEU HB- 2.80 (# 2754:20 Single Ambig)
&rst
ixpk= 2754, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 73, 74, 75, 77, 78, 79, 636, 637, 638, 640,
641, 642,
igr2= 631, 632,
&end
#
# 0 AMB 20-2:2755 0 AMB 20-1:2755 2.80 (# 2755:20 Double Ambig)
&rst
ixpk= 2755, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 73, 74, 75, 77, 78, 79, 636, 637, 638, 640,
641, 642,
igr2= 631, 632, 631, 632,
&end
#
# 41 GLY HN 40 ASP HB- 5.50 (# 2757:20 Unique 3.95, 4.30 A)
&rst
ixpk= 2757, nxpk= 20, iat= 658, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 650, 651,
&end
#
# 0 AMB 20-2:2758 40 ASP HB- 4.50 (# 2758:20 Single Ambig)
&rst
ixpk= 2758, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 302, 303, 304, 306, 307, 308, 302, 303, 304, 306,
307, 308,
igr2= 650, 651,
&end
#
# 23 VAL MGX 40 ASP HB- 5.50 (# 2759:20 Unique 2.11, 5.12 A)
&rst
ixpk= 2759, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 361, 362, 363, 365, 366, 367,
igr2= 650, 651,
&end
#
# 23 VAL MGY 40 ASP HB- 5.50 (# 2760:20 Unique 2.11, 5.12 A)
&rst
ixpk= 2760, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 361, 362, 363, 365, 366, 367,
igr2= 650, 651,
&end
#
# 0 AMB 20-2:2761 0 AMB 20-1:2761 4.50 (# 2761:20 Double Ambig)
&rst
ixpk= 2761, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 302, 303, 304, 306, 307, 308, 636, 637, 638, 640,
641, 642,
igr2= 650, 651, 650, 651,
&end
#
# 42 GLY HN 41 GLY HA- 5.50 (# 2762:20 Unique 2.50, 3.08 A)
&rst
ixpk= 2762, nxpk= 20, iat= 665, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 660, 661,
&end
#
# 42 GLY HN 41 GLY HA+ 5.50 (# 2763:20 Unique 2.50, 3.08 A)
&rst
ixpk= 2763, nxpk= 20, iat= 665, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 660, 661,
&end
#
# 8 VAL HA 41 GLY HA+ 5.50 (# 2764:20 Unique 2.52, 4.35 A)
&rst
ixpk= 2764, nxpk= 20, iat= 127, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 660, 661,
&end
#
# 39 LEU HG 41 GLY HA- 5.50 (# 2765:20 Unique 5.31, 5.74 A)
&rst
ixpk= 2765, nxpk= 20, iat= 634, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 660, 661,
&end
#
# 44 ALA MB 41 GLY HA- 5.50 (# 2766:20 Unique 2.29, 3.64 A)
&rst
ixpk= 2766, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 690, 691, 692,
igr2= 660, 661,
&end
#
# 44 ALA MB 41 GLY HA+ 5.50 (# 2767:20 Unique 2.29, 3.64 A)
&rst
ixpk= 2767, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 690, 691, 692,
igr2= 660, 661,
&end
#
# 39 LEU HG 41 GLY HA+ 5.50 (# 2768:20 Unique 5.31, 5.74 A)
&rst
ixpk= 2768, nxpk= 20, iat= 634, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 660, 661,
&end
#
# 0 AMB 20-2:2769 41 GLY HA- 2.80 (# 2769:20 Single Ambig)
&rst
ixpk= 2769, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 131, 132, 133, 135, 136, 137, 131, 132, 133, 135,
136, 137, 744, 745, 746, 748, 749, 750, 744, 745,
746, 748, 749, 750,
igr2= 660, 661,
&end
#
# 44 ALA HN 42 GLY HA- 5.50 (# 2770:20 Unique 3.81, 4.40 A)
&rst
ixpk= 2770, nxpk= 20, iat= 686, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 667, 668,
&end
#
# 8 VAL HA 42 GLY HA+ 5.50 (# 2771:20 Unique 2.69, 3.68 A)
&rst
ixpk= 2771, nxpk= 20, iat= 127, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 667, 668,
&end
#
# 0 AMB 20-2:2772 42 GLY HA- 5.50 (# 2772:20 Single Ambig)
&rst
ixpk= 2772, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 648, 120, 121,
igr2= 667, 668,
&end
#
# 43 THR MG2 42 GLY HA+ 5.50 (# 2773:20 Unique 3.20, 4.35 A)
&rst
ixpk= 2773, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 678, 679, 680,
igr2= 667, 668,
&end
#
# 43 THR MG2 42 GLY HA- 5.50 (# 2774:20 Unique 3.20, 4.35 A)
&rst
ixpk= 2774, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 678, 679, 680,
igr2= 667, 668,
&end
#
# 0 AMB 20-2:2775 43 THR HA 2.80 (# 2775:20 Single Ambig)
&rst
ixpk= 2775, nxpk= 20, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 150, 676,
&end
#
# 10 ASN HB+ 43 THR HA 5.50 (# 2777:20 Unique 2.97, 4.40 A)
&rst
ixpk= 2777, nxpk= 20, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 152, 153,
&end
#
# 43 THR HN 43 THR HB 5.50 (# 2779:20 Unique 3.95, 3.97 A)
&rst
ixpk= 2779, nxpk= 20, iat= 672, 676, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 THR HA 43 THR HB 2.80 (# 2780:20 Unique 2.30, 2.32 A)
&rst
ixpk= 2780, nxpk= 20, iat= 674, 676, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 20-2:2782 0 AMB 20-1:2782 2.80 (# 2782:20 Double Ambig)
&rst
ixpk= 2782, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1= 744, 745, 746, 748, 749, 750, 744, 745, 746, 748,
749, 750, 131, 132, 133, 135, 136, 137, 131, 132,
133, 135, 136, 137,1605,1606,1607,1609,1610,1611,
igr2= 690, 691, 692, 813, 814, 815,
&end
#
# 55 ARG HD+ 53 ALA MB 5.50 (# 2784:20 Unique 4.20, 7.24 A)
&rst
ixpk= 2784, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 843, 844,
igr2= 813, 814, 815,
&end
#
# 41 GLY HA- 44 ALA MB 5.50 (# 2785:20 Unique 2.29, 3.64 A)
&rst
ixpk= 2785, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 660, 661,
igr2= 690, 691, 692,
&end
#
# 43 THR HN 44 ALA MB 5.50 (# 2786:20 Unique 4.43, 5.35 A)
&rst
ixpk= 2786, nxpk= 20, iat= 672, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 690, 691, 692,
&end
#
# 0 AMB 20-2:2787 0 AMB 20-1:2787 4.50 (# 2787:20 Double Ambig)
&rst
ixpk= 2787, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 688, 722, 660, 661,
igr2= 698, 699, 698, 699, 698, 699,
&end
#
# 0 AMB 20-2:2788 45 GLY HA- 4.50 (# 2788:20 Single Ambig)
&rst
ixpk= 2788, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 705, 688, 722,
igr2= 698, 699,
&end
#
# 0 AMB 20-2:2789 45 GLY HA- 5.50 (# 2789:20 Single Ambig)
&rst
ixpk= 2789, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 707, 708, 707, 708,
igr2= 698, 699,
&end
#
# 0 AMB 20-2:2790 0 AMB 20-1:2790 5.50 (# 2790:20 Double Ambig)
&rst
ixpk= 2790, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
igr1=1503,1504, 690, 691, 692,
igr2= 698, 699, 698, 699,
&end
#
# 0 AMB 20-2:2791 45 GLY HA- 5.50 (# 2791:20 Single Ambig)
&rst
ixpk= 2791, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1546,1547,1548,1550,1551,1552,1546,1547,1548,1550,
1551,1552,
igr2= 698, 699,
&end
#
# 0 AMB 20-2:2792 45 GLY HA- 5.50 (# 2792:20 Single Ambig)
&rst
ixpk= 2792, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1= 744, 745, 746, 748, 749, 750, 744, 745, 746, 748,
749, 750, 131, 132, 133, 135, 136, 137, 131, 132,
133, 135, 136, 137,
igr2= 698, 699,
&end
#
# 0 AMB 20-2:2793 45 GLY HA- 5.50 (# 2793:20 Single Ambig)
&rst
ixpk= 2793, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1508,1509,1510,1512,1513,1514,1508,1509,1510,1512,
1513,1514,
igr2= 698, 699,
&end
#
# 0 AMB 20-2:2794 0 AMB 20-1:2794 5.50 (# 2794:20 Double Ambig)
&rst
ixpk= 2794, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=1508,1509,1510,1512,1513,1514,1508,1509,1510,1512,
1513,1514,
igr2= 698, 699, 698, 699,
&end
#
# 47 GLU HN 46 MET HA 5.50 (# 2795:20 Unique 3.00, 3.11 A)
&rst
ixpk= 2795, nxpk= 20, iat= 720, 705, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 LEU HN 46 MET HA 5.50 (# 2796:20 Unique 3.91, 4.14 A)
&rst
ixpk= 2796, nxpk= 20, iat= 754, 705, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 100 VAL HA 46 MET HA 5.50 (# 2798:20 Unique 3.38, 3.96 A)
&rst
ixpk= 2798, nxpk= 20, iat=1542, 705, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2799 46 MET HA 5.50 (# 2799:20 Single Ambig)
&rst
ixpk= 2799, nxpk= 20, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 698, 699, 756,
&end
#
# 0 AMB 20-2:2800 0 AMB 20-1:2800 5.50 (# 2800:20 Double Ambig)
&rst
ixpk= 2800, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 698, 699, 756,
igr2= 707, 708, 707, 708,
&end
#
# 0 AMB 20-2:2801 0 AMB 20-1:2801 2.80 (# 2801:20 Double Ambig)
&rst
ixpk= 2801, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 710, 711, 710, 711,
igr2= 707, 708, 707, 708,
&end
#
# 46 MET HG- 0 AMB 20-1:2802 2.80 (# 2802:20 Single Ambig)
&rst
ixpk= 2802, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 710, 711,
igr2= 707, 708, 707, 708,
&end
#
# 0 AMB 20-2:2803 0 AMB 20-1:2803 4.50 (# 2803:20 Double Ambig)
&rst
ixpk= 2803, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 758, 759,1477,1478,1477,1478,
igr2= 707, 708, 707, 708, 707, 708,
&end
#
# 0 AMB 20-2:2804 47 GLU HB- 4.50 (# 2804:20 Single Ambig)
&rst
ixpk= 2804, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 735, 686,
igr2= 724, 725,
&end
#
# 0 AMB 20-2:2805 0 AMB 20-1:2805 2.80 (# 2805:20 Double Ambig)
&rst
ixpk= 2805, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 722, 688,
igr2= 724, 725, 724, 725,
&end
#
# 0 AMB 20-2:2806 47 GLU HB- 2.80 (# 2806:20 Single Ambig)
&rst
ixpk= 2806, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 727, 728, 727, 728,
igr2= 724, 725,
&end
#
# 44 ALA MB 47 GLU HB- 3.50 (# 2808:20 Unique 1.85, 3.85 A)
&rst
ixpk= 2808, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 690, 691, 692,
igr2= 724, 725,
&end
#
# 44 ALA MB 47 GLU HB+ 3.50 (# 2809:20 Unique 1.85, 3.85 A)
&rst
ixpk= 2809, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 690, 691, 692,
igr2= 724, 725,
&end
#
# 52 MET HN 48 LEU HA 5.50 (# 2810:20 Unique 4.39, 4.79 A)
&rst
ixpk= 2810, nxpk= 20, iat= 792, 737, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2811 48 LEU HA 5.50 (# 2811:20 Single Ambig)
&rst
ixpk= 2811, nxpk= 20, iat= -1, 737, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 660, 661, 705, 688,
&end
#
# 51 ASP HB+ 48 LEU HA 4.50 (# 2812:20 Unique 2.20, 3.71 A)
&rst
ixpk= 2812, nxpk= 20, iat= -1, 737, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 784, 785,
&end
#
# 52 MET HG+ 48 LEU HB- 5.50 (# 2813:20 Unique 2.65, 3.97 A)
&rst
ixpk= 2813, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 799, 800,
igr2= 739, 740,
&end
#
# 52 MET HG+ 48 LEU HB+ 5.50 (# 2814:20 Unique 2.65, 3.97 A)
&rst
ixpk= 2814, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 799, 800,
igr2= 739, 740,
&end
#
# 0 AMB 20-2:2815 0 AMB 20-1:2815 4.50 (# 2815:20 Double Ambig)
&rst
ixpk= 2815, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1=1546,1547,1548,1550,1551,1552,1546,1547,1548,1550,
1551,1552, 103, 104,
igr2= 739, 740, 739, 740, 739, 740,
&end
#
# 52 MET HN 49 LEU HA 5.50 (# 2816:20 Unique 3.07, 3.63 A)
&rst
ixpk= 2816, nxpk= 20, iat= 792, 756, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 GLY HN 49 LEU HA 5.50 (# 2817:20 Unique 3.47, 3.57 A)
&rst
ixpk= 2817, nxpk= 20, iat= 773, 756, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 LEU HG 49 LEU HB+ 3.50 (# 2819:20 Unique 2.49, 2.83 A)
&rst
ixpk= 2819, nxpk= 20, iat= 761, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 758, 759,
&end
#
# 49 LEU MDX 49 LEU HB- 2.80 (# 2820:20 Unique 1.96, 3.21 A)
&rst
ixpk= 2820, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 763, 764, 765, 767, 768, 769,
igr2= 758, 759,
&end
#
# 49 LEU MDX 49 LEU HB+ 2.80 (# 2821:20 Unique 1.96, 3.21 A)
&rst
ixpk= 2821, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 763, 764, 765, 767, 768, 769,
igr2= 758, 759,
&end
#
# 0 AMB 20-2:2822 50 GLY HA- 5.50 (# 2822:20 Single Ambig)
&rst
ixpk= 2822, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 758, 759,1684,1685,
igr2= 775, 776,
&end
#
# 0 AMB 20-2:2823 0 AMB 20-1:2823 5.50 (# 2823:20 Double Ambig)
&rst
ixpk= 2823, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 796, 797, 837, 838,
igr2= 775, 776, 775, 776,
&end
#
# 49 LEU MDX 50 GLY HA- 5.50 (# 2824:20 Unique 2.84, 6.01 A)
&rst
ixpk= 2824, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 763, 764, 765, 767, 768, 769,
igr2= 775, 776,
&end
#
# 49 LEU MDX 50 GLY HA+ 5.50 (# 2825:20 Unique 2.84, 6.01 A)
&rst
ixpk= 2825, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 763, 764, 765, 767, 768, 769,
igr2= 775, 776,
&end
#
# 0 AMB 20-2:2827 51 ASP HA 4.50 (# 2827:20 Single Ambig)
&rst
ixpk= 2827, nxpk= 20, iat= -1, 782, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 73, 74, 75, 77, 78, 79, 636, 637, 638, 640,
641, 642,
&end
#
# 53 ALA HN 52 MET HA 5.50 (# 2828:20 Unique 2.91, 3.10 A)
&rst
ixpk= 2828, nxpk= 20, iat= 809, 794, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2829 52 MET HB- 4.50 (# 2829:20 Single Ambig)
&rst
ixpk= 2829, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1605,1606,1607,1609,1610,1611, 108, 109, 110, 112,
113, 114,
igr2= 796, 797,
&end
#
# 0 AMB 20-2:2830 52 MET HB- 4.50 (# 2830:20 Single Ambig)
&rst
ixpk= 2830, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
igr1= 103, 104,1546,1547,1548,1550,1551,1552,1546,1547,
1548,1550,1551,1552, 68, 69,
igr2= 796, 797,
&end
#
# 104 LEU HG 53 ALA HA 5.50 (# 2831:20 Unique 2.18, 3.31 A)
&rst
ixpk= 2831, nxpk= 20, iat=1603, 811, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 104 LEU MDY 53 ALA HA 4.50 (# 2832:20 Unique 1.85, 3.55 A)
&rst
ixpk= 2832, nxpk= 20, iat= -1, 811, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1605,1606,1607,1609,1610,1611,
&end
#
# 54 ASN HD2+ 54 ASN HA 5.50 (# 2834:20 Unique 2.16, 3.79 A)
&rst
ixpk= 2834, nxpk= 20, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 828, 829,
&end
#
# 0 AMB 20-2:2835 0 AMB 20-1:2835 4.50 (# 2835:20 Double Ambig)
&rst
ixpk= 2835, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 811,2279,
igr2= 821,2391,
&end
#
# 0 AMB 20-2:2836 54 ASN HA 4.50 (# 2836:20 Single Ambig)
&rst
ixpk= 2836, nxpk= 20, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 840, 841, 813, 814, 815,
&end
#
# 0 AMB 20-2:2837 0 AMB 20-1:2837 5.50 (# 2837:20 Double Ambig)
&rst
ixpk= 2837, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
igr1=2379,2380,2381,2383,2384,2385,1605,1606,1607,1609,
1610,1611,2427,2428,2429,
igr2=2391, 821,
&end
#
# 55 ARG HD- 55 ARG HA 5.50 (# 2839:20 Unique 1.96, 3.69 A)
&rst
ixpk= 2839, nxpk= 20, iat= -1, 835, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 843, 844,
&end
#
# 55 ARG HD+ 55 ARG HA 5.50 (# 2840:20 Unique 1.96, 3.69 A)
&rst
ixpk= 2840, nxpk= 20, iat= -1, 835, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 843, 844,
&end
#
# 2 ARG HB- 55 ARG HA 4.50 (# 2841:20 Unique 2.00, 3.61 A)
&rst
ixpk= 2841, nxpk= 20, iat= -1, 835, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 25, 26,
&end
#
# 0 AMB 20-2:2842 55 ARG HA 4.50 (# 2842:20 Single Ambig)
&rst
ixpk= 2842, nxpk= 20, iat= -1, 835, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 28, 29, 837, 838,
&end
#
# 55 ARG HB+ 55 ARG HA 5.50 (# 2843:20 Unique 2.31, 2.69 A)
&rst
ixpk= 2843, nxpk= 20, iat= -1, 835, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 837, 838,
&end
#
# 55 ARG HG+ 55 ARG HA 5.50 (# 2844:20 Unique 2.04, 3.31 A)
&rst
ixpk= 2844, nxpk= 20, iat= -1, 835, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 840, 841,
&end
#
# 102 SER HB+ 99 ASP HA 2.80 (# 2845:20 Unique 2.65, 3.60 A)
&rst
ixpk= 2845, nxpk= 20, iat= -1,1530, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1579,1580,
&end
#
# 1 MET ME 56 ASP HB+ 5.50 (# 2846:20 Unique 2.84, 5.53 A)
&rst
ixpk= 2846, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 15, 16, 17,
igr2= 861, 862,
&end
#
# 57 HIS HN 57 HIS HA 5.50 (# 2847:20 Unique 2.92, 2.94 A)
&rst
ixpk= 2847, nxpk= 20, iat= 869, 871, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2848 0 AMB 20-1:2848 5.50 (# 2848:20 Double Ambig)
&rst
ixpk= 2848, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1775, 945,
igr2= 871,1808,
&end
#
# 57 HIS HB+ 57 HIS HA 5.50 (# 2849:20 Unique 2.48, 2.79 A)
&rst
ixpk= 2849, nxpk= 20, iat= -1, 871, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 873, 874,
&end
#
# 57 HIS HB- 57 HIS HA 5.50 (# 2850:20 Unique 2.48, 2.79 A)
&rst
ixpk= 2850, nxpk= 20, iat= -1, 871, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 873, 874,
&end
#
# 0 AMB 20-2:2851 0 AMB 20-1:2851 5.50 (# 2851:20 Double Ambig)
&rst
ixpk= 2851, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1= 890, 891,1829, 103, 104,
igr2= 871,1808,
&end
#
# 0 AMB 20-2:2852 58 LEU HA 5.50 (# 2852:20 Single Ambig)
&rst
ixpk= 2852, nxpk= 20, iat= -1, 888, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 68, 69,1719,1720, 934, 935,
&end
#
# 58 LEU MDX 58 LEU HA 2.80 (# 2853:20 Unique 1.97, 4.08 A)
&rst
ixpk= 2853, nxpk= 20, iat= -1, 888, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 895, 896, 897, 899, 900, 901,
&end
#
# 58 LEU MDY 58 LEU HA 3.50 (# 2854:20 Unique 1.97, 4.08 A)
&rst
ixpk= 2854, nxpk= 20, iat= -1, 888, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 895, 896, 897, 899, 900, 901,
&end
#
# 58 LEU HN 58 LEU HB- 5.50 (# 2855:20 Unique 2.54, 2.83 A)
&rst
ixpk= 2855, nxpk= 20, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 890, 891,
&end
#
# 58 LEU HN 58 LEU HB+ 5.50 (# 2856:20 Unique 2.54, 2.83 A)
&rst
ixpk= 2856, nxpk= 20, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 890, 891,
&end
#
# 58 LEU HA 58 LEU HB+ 5.50 (# 2857:20 Unique 2.39, 2.74 A)
&rst
ixpk= 2857, nxpk= 20, iat= 888, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 890, 891,
&end
#
# 0 AMB 20-2:2858 58 LEU HB- 4.50 (# 2858:20 Single Ambig)
&rst
ixpk= 2858, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1719,1720, 840, 841,
igr2= 890, 891,
&end
#
# 0 AMB 20-2:2859 58 LEU HB- 4.50 (# 2859:20 Single Ambig)
&rst
ixpk= 2859, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 893, 837, 838,
igr2= 890, 891,
&end
#
# 0 AMB 20-2:2860 58 LEU HB- 5.50 (# 2860:20 Single Ambig)
&rst
ixpk= 2860, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1719,1720, 840, 841,
igr2= 890, 891,
&end
#
# 0 AMB 20-2:2861 58 LEU HB- 4.50 (# 2861:20 Single Ambig)
&rst
ixpk= 2861, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 895, 896, 897, 899, 900, 901,1782,1783,1784,1786,
1787,1788,
igr2= 890, 891,
&end
#
# 58 LEU MDY 58 LEU HB- 4.50 (# 2862:20 Unique 1.93, 3.23 A)
&rst
ixpk= 2862, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 895, 896, 897, 899, 900, 901,
igr2= 890, 891,
&end
#
# 60 ILE HN 59 ILE HA 2.80 (# 2863:20 Unique 2.14, 2.16 A)
&rst
ixpk= 2863, nxpk= 20, iat= 924, 907, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 116 LEU HA 59 ILE HA 4.50 (# 2865:20 Unique 3.90, 4.04 A)
&rst
ixpk= 2865, nxpk= 20, iat=1808, 907, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 115 THR HB 59 ILE HA 5.50 (# 2866:20 Unique 2.29, 2.52 A)
&rst
ixpk= 2866, nxpk= 20, iat=1796, 907, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2868 59 ILE HA 4.50 (# 2868:20 Single Ambig)
&rst
ixpk= 2868, nxpk= 20, iat= -1, 907, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 909, 893,
&end
#
# 59 ILE MG2 59 ILE HA 3.50 (# 2869:20 Unique 1.97, 2.96 A)
&rst
ixpk= 2869, nxpk= 20, iat= -1, 907, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 911, 912, 913,
&end
#
# 0 AMB 20-2:2870 59 ILE HA 2.80 (# 2870:20 Single Ambig)
&rst
ixpk= 2870, nxpk= 20, iat= -1, 907, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 915, 916,1782,1783,1784,1786,1787,1788,
&end
#
# 59 ILE HG1+ 59 ILE HA 5.50 (# 2871:20 Unique 2.48, 3.03 A)
&rst
ixpk= 2871, nxpk= 20, iat= -1, 907, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 915, 916,
&end
#
# 59 ILE MD1 59 ILE HA 5.50 (# 2872:20 Unique 2.52, 4.59 A)
&rst
ixpk= 2872, nxpk= 20, iat= -1, 907, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 918, 919, 920,
&end
#
# 6 LEU HN 59 ILE HB 5.50 (# 2873:20 Unique 3.90, 4.04 A)
&rst
ixpk= 2873, nxpk= 20, iat= 99, 909, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 ILE HA 59 ILE HB 5.50 (# 2874:20 Unique 2.92, 3.00 A)
&rst
ixpk= 2874, nxpk= 20, iat= 907, 909, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2875 59 ILE HB 2.80 (# 2875:20 Single Ambig)
&rst
ixpk= 2875, nxpk= 20, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=2248,2249,2250,2252,2253,2254, 915, 916,
&end
#
# 59 ILE HG1+ 59 ILE HB 5.50 (# 2876:20 Unique 2.41, 2.79 A)
&rst
ixpk= 2876, nxpk= 20, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 915, 916,
&end
#
# 0 AMB 20-2:2877 60 ILE HA 5.50 (# 2877:20 Single Ambig)
&rst
ixpk= 2877, nxpk= 20, iat= -1, 926, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 89, 90, 91, 93, 94, 95, 911, 912, 913,1508,
1509,1510,1512,1513,1514,1508,1509,1510,1512,1513,
1514, 342, 343, 344,
&end
#
# 61 ALA MB 60 ILE HA 5.50 (# 2878:20 Unique 4.05, 4.87 A)
&rst
ixpk= 2878, nxpk= 20, iat= -1, 926, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 947, 948, 949,
&end
#
# 6 LEU HB+ 60 ILE HA 5.50 (# 2879:20 Unique 2.52, 2.90 A)
&rst
ixpk= 2879, nxpk= 20, iat= -1, 926, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 103, 104,
&end
#
# 5 VAL HA 60 ILE HA 5.50 (# 2880:20 Unique 4.17, 4.38 A)
&rst
ixpk= 2880, nxpk= 20, iat= 85, 926, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 ILE HN 60 ILE HA 5.50 (# 2881:20 Unique 2.91, 2.92 A)
&rst
ixpk= 2881, nxpk= 20, iat= 924, 926, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 6 LEU HN 60 ILE HA 5.50 (# 2882:20 Unique 2.46, 2.77 A)
&rst
ixpk= 2882, nxpk= 20, iat= 99, 926, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 ILE HA 60 ILE HB 5.50 (# 2883:20 Unique 3.02, 3.02 A)
&rst
ixpk= 2883, nxpk= 20, iat= 926, 928, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 ILE HN 61 ALA MB 5.50 (# 2884:20 Unique 3.91, 4.58 A)
&rst
ixpk= 2884, nxpk= 20, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 947, 948, 949,
&end
#
# 60 ILE HA 61 ALA MB 5.50 (# 2885:20 Unique 4.05, 4.87 A)
&rst
ixpk= 2885, nxpk= 20, iat= 926, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 947, 948, 949,
&end
#
# 62 ASP HA 61 ALA MB 5.50 (# 2886:20 Unique 4.15, 5.00 A)
&rst
ixpk= 2886, nxpk= 20, iat= 955, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 947, 948, 949,
&end
#
# 7 GLY HA- 61 ALA MB 4.50 (# 2887:20 Unique 2.19, 4.23 A)
&rst
ixpk= 2887, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 120, 121,
igr2= 947, 948, 949,
&end
#
# 63 ALA HN 62 ASP HA 2.80 (# 2888:20 Unique 2.21, 2.38 A)
&rst
ixpk= 2888, nxpk= 20, iat= 965, 955, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 62 ASP HN 62 ASP HA 5.50 (# 2889:20 Unique 2.87, 2.88 A)
&rst
ixpk= 2889, nxpk= 20, iat= 953, 955, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 GLY HA+ 62 ASP HA 4.50 (# 2891:20 Unique 1.89, 2.44 A)
&rst
ixpk= 2891, nxpk= 20, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 291, 292,
&end
#
# 19 GLY HA- 62 ASP HA 5.50 (# 2892:20 Unique 1.89, 2.44 A)
&rst
ixpk= 2892, nxpk= 20, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 291, 292,
&end
#
# 62 ASP HB+ 62 ASP HA 4.50 (# 2893:20 Unique 2.24, 2.64 A)
&rst
ixpk= 2893, nxpk= 20, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 957, 958,
&end
#
# 62 ASP HB- 62 ASP HA 4.50 (# 2894:20 Unique 2.24, 2.64 A)
&rst
ixpk= 2894, nxpk= 20, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 957, 958,
&end
#
# 0 AMB 20-2:2895 62 ASP HA 5.50 (# 2895:20 Single Ambig)
&rst
ixpk= 2895, nxpk= 20, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 947, 948, 949, 969, 970, 971, 985, 986,
&end
#
# 0 AMB 20-2:2896 62 ASP HA 4.50 (# 2896:20 Single Ambig)
&rst
ixpk= 2896, nxpk= 20, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
igr1= 131, 132, 133, 135, 136, 137, 131, 132, 133, 135,
136, 137, 930, 931, 932,1815,1816,1817,1819,1820,
1821,
&end
#
# 0 AMB 20-2:2897 0 AMB 20-1:2897 5.50 (# 2897:20 Double Ambig)
&rst
ixpk= 2897, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 953,1449,
igr2= 957, 958, 957, 958,
&end
#
# 0 AMB 20-2:2898 62 ASP HB- 5.50 (# 2898:20 Single Ambig)
&rst
ixpk= 2898, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 953,1449,
igr2= 957, 958,
&end
#
# 62 ASP HA 62 ASP HB- 4.50 (# 2899:20 Unique 2.24, 2.64 A)
&rst
ixpk= 2899, nxpk= 20, iat= 955, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 957, 958,
&end
#
# 0 AMB 20-2:2900 0 AMB 20-1:2900 2.80 (# 2900:20 Double Ambig)
&rst
ixpk= 2900, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 131, 132, 133, 135, 136, 137, 131, 132, 133, 135,
136, 137,1815,1816,1817,1819,1820,1821, 930, 931,
932,
igr2= 957, 958, 957, 958, 957, 958, 957, 958,
&end
#
# 116 LEU MDX 62 ASP HB- 4.50 (# 2901:20 Unique 2.73, 5.31 A)
&rst
ixpk= 2901, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1815,1816,1817,1819,1820,1821,
igr2= 957, 958,
&end
#
# 64 ILE HN 63 ALA HA 2.80 (# 2903:20 Unique 2.19, 2.26 A)
&rst
ixpk= 2903, nxpk= 20, iat= 975, 967, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 20-2:2904 63 ALA HA 2.80 (# 2904:20 Single Ambig)
&rst
ixpk= 2904, nxpk= 20, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1= 969, 970, 971, 985, 986,
&end
#
# 0 AMB 20-2:2905 63 ALA HA 3.50 (# 2905:20 Single Ambig)
&rst
ixpk= 2905, nxpk= 20, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 985, 986, 276, 277, 278,
&end
#
# 119 VAL MGX 63 ALA HA 4.50 (# 2906:20 Unique 2.31, 3.69 A)
&rst
ixpk= 2906, nxpk= 20, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1854,1855,1856,1858,1859,1860,
&end
#
# 0 AMB 20-2:2907 63 ALA MB 3.50 (# 2907:20 Single Ambig)
&rst
ixpk= 2907, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1887,1888,1890,1891,
igr2= 969, 970, 971,
&end
#
# 119 VAL HB 63 ALA MB 4.50 (# 2908:20 Unique 4.88, 5.91 A)
&rst
ixpk= 2908, nxpk= 20, iat=1852, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 969, 970, 971,
&end
#
# 121 PRO HB+ 63 ALA MB 3.50 (# 2909:20 Unique 3.12, 4.84 A)
&rst
ixpk= 2909, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1890,1891,
igr2= 969, 970, 971,
&end
#
# 121 PRO HG- 63 ALA MB 4.50 (# 2910:20 Unique 2.25, 5.00 A)
&rst
ixpk= 2910, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1887,1888,
igr2= 969, 970, 971,
&end
#
# 120 ILE HA 64 ILE HB 4.50 (# 2912:20 Unique 2.92, 3.51 A)
&rst
ixpk= 2912, nxpk= 20, iat=1866, 979, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 64 ILE HG1- 64 ILE HB 3.50 (# 2913:20 Unique 2.51, 2.84 A)
&rst
ixpk= 2913, nxpk= 20, iat= -1, 979, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 985, 986,
&end
#
# 0 AMB 20-2:2914 64 ILE HB 2.80 (# 2914:20 Single Ambig)
&rst
ixpk= 2914, nxpk= 20, iat= -1, 979, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1877,1878,1879, 981, 982, 983,
&end
#
# 121 PRO HD- 65 VAL HA 3.50 (# 2915:20 Unique 2.10, 2.57 A)
&rst
ixpk= 2915, nxpk= 20, iat= -1, 996, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1884,1885,
&end
#
# 0 AMB 20-2:2917 0 AMB 20-1:2917 2.80 (# 2917:20 Double Ambig)
&rst
ixpk= 2917, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1014,1015,1329,1330,
igr2=1012,1327,
&end
#
# 66 SER HB+ 66 SER HA 3.50 (# 2918:20 Unique 2.30, 2.76 A)
&rst
ixpk= 2918, nxpk= 20, iat= -1,1012, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1014,1015,
&end
#
# 0 AMB 20-2:2919 0 AMB 20-1:2919 5.50 (# 2919:20 Double Ambig)
&rst
ixpk= 2919, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1368,1369,1010,
igr2=1014,1015,1014,1015,
&end
#
# 66 SER HA 66 SER HB- 3.50 (# 2920:20 Unique 2.30, 2.76 A)
&rst
ixpk= 2920, nxpk= 20, iat=1012, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1014,1015,
&end
#
# 66 SER HA 66 SER HB+ 3.50 (# 2921:20 Unique 2.30, 2.76 A)
&rst
ixpk= 2921, nxpk= 20, iat=1012, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1014,1015,
&end
#
# 120 ILE MG2 66 SER HB- 5.50 (# 2922:20 Unique 4.56, 7.46 A)
&rst
ixpk= 2922, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1870,1871,1872,
igr2=1014,1015,
&end
#
# 70 THR HN 69 ASN HB+ 5.50 (# 2923:20 Unique 2.34, 3.79 A)
&rst
ixpk= 2923, nxpk= 20, iat=1079, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1069,1070,
&end
#
# 70 THR HN 69 ASN HB- 5.50 (# 2924:20 Unique 2.34, 3.79 A)
&rst
ixpk= 2924, nxpk= 20, iat=1079, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1069,1070,
&end
#
# 0 AMB 20-2:2925 69 ASN HB- 5.50 (# 2925:20 Single Ambig)
&rst
ixpk= 2925, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1118,1083,
igr2=1069,1070,
&end
#
# 0 AMB 20-2:2926 0 AMB 20-1:2926 5.50 (# 2926:20 Double Ambig)
&rst
ixpk= 2926, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
igr1=1156,1157,1158, 103, 104,
igr2=1069,1070, 784, 785,
&end
#
# 75 MET ME 69 ASN HB+ 5.50 (# 2927:20 Unique 3.02, 4.93 A)
&rst
ixpk= 2927, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1156,1157,1158,
igr2=1069,1070,
&end
#
# 0 AMB 20-2:2928 0 AMB 20-1:2928 4.50 (# 2928:20 Double Ambig)
&rst
ixpk= 2928, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 739, 740,1874,1875,1874,1875, 106,
igr2= 784, 785,1069,1070,
&end
#
# 73 THR HN 72 GLY HA- 5.50 (# 2929:20 Unique 2.73, 3.18 A)
&rst
ixpk= 2929, nxpk= 20, iat=1114, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1109,1110,
&end
#
# 73 THR HN 72 GLY HA+ 5.50 (# 2930:20 Unique 2.73, 3.18 A)
&rst
ixpk= 2930, nxpk= 20, iat=1114, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1109,1110,
&end
#
# 69 ASN HB+ 73 THR HB 5.50 (# 2932:20 Unique 4.06, 5.47 A)
&rst
ixpk= 2932, nxpk= 20, iat= -1,1118, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1069,1070,
&end
#
# 0 AMB 20-2:2933 73 THR HB 5.50 (# 2933:20 Single Ambig)
&rst
ixpk= 2933, nxpk= 20, iat= -1,1118, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1069,1070,1152,1153,
&end
#
# 120 ILE HN 74 MET HA 5.50 (# 2934:20 Unique 3.62, 3.79 A)
&rst
ixpk= 2934, nxpk= 20, iat=1864,1130, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 119 VAL HA 74 MET HA 3.50 (# 2935:20 Unique 2.17, 2.29 A)
&rst
ixpk= 2935, nxpk= 20, iat=1850,1130, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:2936 74 MET HA 4.50 (# 2936:20 Single Ambig)
&rst
ixpk= 2936, nxpk= 20, iat= -1,1130, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1149,1150,1139,1140,1141,1156,1157,1158,
&end
#
# 73 THR MG2 74 MET HA 5.50 (# 2937:20 Unique 3.79, 4.50 A)
&rst
ixpk= 2937, nxpk= 20, iat= -1,1130, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1120,1121,1122,
&end
#
# 74 MET HG+ 74 MET HA 3.50 (# 2939:20 Unique 2.54, 3.08 A)
&rst
ixpk= 2939, nxpk= 20, iat= -1,1130, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1135,1136,
&end
#
# 75 MET HN 74 MET HB+ 5.50 (# 2940:20 Unique 3.65, 3.99 A)
&rst
ixpk= 2940, nxpk= 20, iat=1145, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1132,1133,
&end
#
# 75 MET HN 74 MET HB- 5.50 (# 2941:20 Unique 3.65, 3.99 A)
&rst
ixpk= 2941, nxpk= 20, iat=1145, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1132,1133,
&end
#
# 0 AMB 20-2:2942 0 AMB 20-1:2942 2.80 (# 2942:20 Double Ambig)
&rst
ixpk= 2942, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1135,1136,2174,2175,2171,2172,
igr2=1132,1133,1132,1133,1132,1133,
&end
#
# 74 MET ME 74 MET HB- 2.80 (# 2943:20 Unique 1.97, 3.90 A)
&rst
ixpk= 2943, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1139,1140,1141,
igr2=1132,1133,
&end
#
# 0 AMB 20-2:2944 0 AMB 20-1:2944 5.50 (# 2944:20 Double Ambig)
&rst
ixpk= 2944, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
igr1=1172,1173,1172,1173, 813, 814, 815,
igr2=1147,1682,
&end
#
# 73 THR MG2 75 MET HB+ 5.50 (# 2945:20 Unique 3.83, 5.27 A)
&rst
ixpk= 2945, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1120,1121,1122,
igr2=1149,1150,
&end
#
# 117 VAL HA 76 ILE HA 4.50 (# 2946:20 Unique 2.78, 2.90 A)
&rst
ixpk= 2946, nxpk= 20, iat=1827,1164, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 77 LEU HN 76 ILE HB 5.50 (# 2947:20 Unique 3.79, 4.05 A)
&rst
ixpk= 2947, nxpk= 20, iat=1181,1166, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 MET HA 76 ILE HB 5.50 (# 2948:20 Unique 4.50, 4.86 A)
&rst
ixpk= 2948, nxpk= 20, iat=1147,1166, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2949 76 ILE HB 2.80 (# 2949:20 Single Ambig)
&rst
ixpk= 2949, nxpk= 20, iat= -1,1166, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1172,1173,1172,1173,
&end
#
# 78 ARG HN 77 LEU HB- 5.50 (# 2950:20 Unique 3.17, 3.93 A)
&rst
ixpk= 2950, nxpk= 20, iat=1200, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1185,1186,
&end
#
# 77 LEU HN 77 LEU HB+ 5.50 (# 2951:20 Unique 2.17, 2.92 A)
&rst
ixpk= 2951, nxpk= 20, iat=1181, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1185,1186,
&end
#
# 78 ARG HA 77 LEU HB- 5.50 (# 2952:20 Unique 4.61, 5.15 A)
&rst
ixpk= 2952, nxpk= 20, iat=1202, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1185,1186,
&end
#
# 77 LEU HA 77 LEU HB+ 5.50 (# 2953:20 Unique 2.70, 2.84 A)
&rst
ixpk= 2953, nxpk= 20, iat=1183, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1185,1186,
&end
#
# 0 AMB 20-2:2954 0 AMB 20-1:2954 5.50 (# 2954:20 Double Ambig)
&rst
ixpk= 2954, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1164,1202,
igr2=1185,1186,1185,1186,
&end
#
# 81 GLU HB+ 77 LEU HB- 5.50 (# 2955:20 Unique 2.08, 3.87 A)
&rst
ixpk= 2955, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1255,1256,
igr2=1185,1186,
&end
#
# 81 GLU HB- 77 LEU HB- 4.50 (# 2956:20 Unique 2.08, 3.87 A)
&rst
ixpk= 2956, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1255,1256,
igr2=1185,1186,
&end
#
# 116 LEU HB+ 77 LEU HB+ 5.50 (# 2957:20 Unique 2.41, 3.74 A)
&rst
ixpk= 2957, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1810,1811,
igr2=1185,1186,
&end
#
# 0 AMB 20-2:2958 77 LEU HB- 3.50 (# 2958:20 Single Ambig)
&rst
ixpk= 2958, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1815,1816,1817,1819,1820,1821,1190,1191,1192,1194,
1195,1196,1190,1191,1192,1194,1195,1196,
igr2=1185,1186,
&end
#
# 0 AMB 20-2:2959 0 AMB 20-1:2959 2.80 (# 2959:20 Double Ambig)
&rst
ixpk= 2959, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1190,1191,1192,1194,1195,1196,1190,1191,1192,1194,
1195,1196,
igr2=1185,1186,1185,1186,
&end
#
# 0 AMB 20-2:2960 77 LEU HB- 3.50 (# 2960:20 Single Ambig)
&rst
ixpk= 2960, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1815,1816,1817,1819,1820,1821,1272,1273,1274,1276,
1277,1278,
igr2=1185,1186,
&end
#
# 79 ASP HA 78 ARG HA 5.50 (# 2961:20 Unique 4.29, 4.29 A)
&rst
ixpk= 2961, nxpk= 20, iat=1226,1202, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 78 ARG HA 78 ARG HB- 5.50 (# 2963:20 Unique 2.34, 2.75 A)
&rst
ixpk= 2963, nxpk= 20, iat=1202, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1204,1205,
&end
#
# 78 ARG HA 79 ASP HA 5.50 (# 2964:20 Unique 4.29, 4.29 A)
&rst
ixpk= 2964, nxpk= 20, iat=1202,1226, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 ASP HN 79 ASP HB+ 5.50 (# 2966:20 Unique 2.22, 2.95 A)
&rst
ixpk= 2966, nxpk= 20, iat=1224, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1228,1229,
&end
#
# 79 ASP HN 79 ASP HB- 5.50 (# 2967:20 Unique 2.22, 2.95 A)
&rst
ixpk= 2967, nxpk= 20, iat=1224, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1228,1229,
&end
#
# 0 AMB 20-2:2968 0 AMB 20-1:2968 5.50 (# 2968:20 Double Ambig)
&rst
ixpk= 2968, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1243,1244,1243,1244,
igr2=1228,1229,1228,1229,
&end
#
# 83 PRO HD+ 80 GLU HA 4.50 (# 2970:20 Unique 3.33, 3.81 A)
&rst
ixpk= 2970, nxpk= 20, iat= -1,1238, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1283,1284,
&end
#
# 80 GLU HA 80 GLU HB+ 2.80 (# 2972:20 Unique 2.23, 2.64 A)
&rst
ixpk= 2972, nxpk= 20, iat=1238, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1240,1241,
&end
#
# 0 AMB 20-2:2973 80 GLU HB- 2.80 (# 2973:20 Single Ambig)
&rst
ixpk= 2973, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1243,1244,1243,1244,
igr2=1240,1241,
&end
#
# 0 AMB 20-2:2974 0 AMB 20-1:2974 2.80 (# 2974:20 Double Ambig)
&rst
ixpk= 2974, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1243,1244,1243,1244,
igr2=1240,1241,1240,1241,
&end
#
# 113 LYS HN 112 LYS HA 5.50 (# 2975:20 Unique 3.50, 3.55 A)
&rst
ixpk= 2975, nxpk= 20, iat=1751,1731, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 84 ALA HN 81 GLU HA 5.50 (# 2976:20 Unique 3.15, 3.22 A)
&rst
ixpk= 2976, nxpk= 20, iat=1296,1253, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 ASP HA 112 LYS HA 4.50 (# 2977:20 Unique 4.50, 4.57 A)
&rst
ixpk= 2977, nxpk= 20, iat= 859,1731, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:2978 110 PHE HA 2.80 (# 2978:20 Single Ambig)
&rst
ixpk= 2978, nxpk= 20, iat= -1,1697, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1716,1717,1699,1700,
&end
#
# 0 AMB 20-2:2979 84 ALA MB 5.50 (# 2979:20 Single Ambig)
&rst
ixpk= 2979, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1283,1284,1268,
igr2=1300,1301,1302,
&end
#
# 0 AMB 20-2:2980 84 ALA MB 4.50 (# 2980:20 Single Ambig)
&rst
ixpk= 2980, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1255,1256,1240,1241,
igr2=1300,1301,1302,
&end
#
# 83 PRO HB- 84 ALA MB 4.50 (# 2981:20 Unique 4.54, 5.94 A)
&rst
ixpk= 2981, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1289,1290,
igr2=1300,1301,1302,
&end
#
# 0 AMB 20-2:2984 0 AMB 20-1:2984 2.80 (# 2984:20 Double Ambig)
&rst
ixpk= 2984, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1310,1311,2454,2455,
igr2=1308,2449,
&end
#
# 86 PHE HD 97 LEU HB- 5.50 (# 2985:20 Unique 3.74, 5.20 A)
&rst
ixpk= 2985, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1333,1341,
igr2=1503,1504,
&end
#
# 86 PHE HE 85 LEU HB+ 5.50 (# 2986:20 Unique 4.43, 6.06 A)
&rst
ixpk= 2986, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1335,1339,
igr2=1310,1311,
&end
#
# 82 VAL HA 85 LEU HB+ 5.50 (# 2987:20 Unique 2.79, 3.53 A)
&rst
ixpk= 2987, nxpk= 20, iat=1268, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1310,1311,
&end
#
# 0 AMB 20-2:2988 0 AMB 20-1:2988 5.50 (# 2988:20 Double Ambig)
&rst
ixpk= 2988, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1268,1329,1330,
igr2=1310,1311,1503,1504,
&end
#
# 0 AMB 20-2:2989 85 LEU HB- 2.80 (# 2989:20 Single Ambig)
&rst
ixpk= 2989, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1190,1191,1192,1194,1195,1196,1190,1191,1192,1194,
1195,1196,1315,1316,1317,1319,1320,1321,
igr2=1310,1311,
&end
#
# 86 PHE HN 86 PHE HA 4.50 (# 2990:20 Unique 2.73, 2.75 A)
&rst
ixpk= 2990, nxpk= 20, iat=1325,1327, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:2991 87 THR HA 5.50 (# 2991:20 Single Ambig)
&rst
ixpk= 2991, nxpk= 20, iat= -1,1347, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1329,1330,1363,1364,1363,1364,
&end
#
# 88 ASN HN 87 THR HB 5.50 (# 2992:20 Unique 1.99, 3.63 A)
&rst
ixpk= 2992, nxpk= 20, iat=1359,1349, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2994 88 ASN HA 3.50 (# 2994:20 Single Ambig)
&rst
ixpk= 2994, nxpk= 20, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1363,1364,1363,1364,
&end
#
# 0 AMB 20-2:2995 0 AMB 20-1:2995 5.50 (# 2995:20 Double Ambig)
&rst
ixpk= 2995, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1368,1369,1368,1369,
igr2=1363,1364,1363,1364,
&end
#
# 90 ILE MD1 0 AMB 20-1:2996 4.50 (# 2996:20 Single Ambig)
&rst
ixpk= 2996, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1408,1409,1410,
igr2=1363,1364,1363,1364,
&end
#
# 89 LYS HN 89 LYS HB+ 5.50 (# 2997:20 Unique 2.09, 3.38 A)
&rst
ixpk= 2997, nxpk= 20, iat=1373, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1377,1378,
&end
#
# 154 VAL MGY 154 VAL HB 2.80 (# 2998:20 Unique 2.22, 2.63 A)
&rst
ixpk= 2998, nxpk= 20, iat= -1,2377, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=2379,2380,2381,2383,2384,2385,
&end
#
# 149 LEU HB- 154 VAL HB 2.80 (# 2999:20 Unique 1.88, 2.78 A)
&rst
ixpk= 2999, nxpk= 20, iat= -1,2377, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2301,2302,
&end
#
# 66 SER HA 65 VAL HA 4.50 (# 3000:20 Unique 4.30, 4.37 A)
&rst
ixpk= 3000, nxpk= 20, iat=1012, 996, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 90 ILE HG1+ 90 ILE HB 3.50 (# 3001:20 Unique 2.31, 2.68 A)
&rst
ixpk= 3001, nxpk= 20, iat= -1,1399, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1405,1406,
&end
#
# 66 SER HN 0 AMB 20-1:3002 5.50 (# 3002:20 Single Ambig)
&rst
ixpk= 3002, nxpk= 20, iat=1010, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1418,1419,1418,1419,
&end
#
# 91 SER HA 0 AMB 20-1:3003 2.80 (# 3003:20 Single Ambig)
&rst
ixpk= 3003, nxpk= 20, iat=1416, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1418,1419,1418,1419,
&end
#
# 161 ASP HA 160 SER HB- 4.50 (# 3004:20 Unique 4.38, 5.23 A)
&rst
ixpk= 3004, nxpk= 20, iat=2484, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2475,2476,
&end
#
# 94 GLN HN 93 HIS HA 5.50 (# 3005:20 Unique 2.25, 3.41 A)
&rst
ixpk= 3005, nxpk= 20, iat=1456,1441, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 93 HIS HB+ 93 HIS HA 3.50 (# 3006:20 Unique 2.33, 2.68 A)
&rst
ixpk= 3006, nxpk= 20, iat= -1,1441, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1443,1444,
&end
#
# 93 HIS HB- 93 HIS HA 3.50 (# 3007:20 Unique 2.33, 2.68 A)
&rst
ixpk= 3007, nxpk= 20, iat= -1,1441, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1443,1444,
&end
#
# 93 HIS HA 93 HIS HB+ 4.50 (# 3008:20 Unique 2.33, 2.68 A)
&rst
ixpk= 3008, nxpk= 20, iat=1441, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1443,1444,
&end
#
# 93 HIS HA 93 HIS HB- 4.50 (# 3009:20 Unique 2.33, 2.68 A)
&rst
ixpk= 3009, nxpk= 20, iat=1441, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1443,1444,
&end
#
# 96 GLY HN 95 LEU HB+ 5.50 (# 3011:20 Unique 2.09, 2.87 A)
&rst
ixpk= 3011, nxpk= 20, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1477,1478,
&end
#
# 96 GLY HN 95 LEU HB- 5.50 (# 3012:20 Unique 2.09, 2.87 A)
&rst
ixpk= 3012, nxpk= 20, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1477,1478,
&end
#
# 92 PRO HA 95 LEU HB+ 5.50 (# 3013:20 Unique 1.89, 2.91 A)
&rst
ixpk= 3013, nxpk= 20, iat=1435, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1477,1478,
&end
#
# 92 PRO HA 95 LEU HB- 5.50 (# 3014:20 Unique 1.89, 2.91 A)
&rst
ixpk= 3014, nxpk= 20, iat=1435, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1477,1478,
&end
#
# 95 LEU MDX 95 LEU HB+ 2.80 (# 3015:20 Unique 2.18, 3.47 A)
&rst
ixpk= 3015, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1482,1483,1484,1486,1487,1488,
igr2=1477,1478,
&end
#
# 95 LEU MDX 95 LEU HB- 2.80 (# 3016:20 Unique 2.18, 3.47 A)
&rst
ixpk= 3016, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1482,1483,1484,1486,1487,1488,
igr2=1477,1478,
&end
#
# 0 AMB 20-2:3017 96 GLY HA- 4.50 (# 3017:20 Single Ambig)
&rst
ixpk= 3017, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1528, 696,
igr2=1494,1495,
&end
#
# 0 AMB 20-2:3018 0 AMB 20-1:3018 4.50 (# 3018:20 Double Ambig)
&rst
ixpk= 3018, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1528, 696,
igr2=1494,1495,1494,1495,
&end
#
# 97 LEU HN 96 GLY HA- 4.50 (# 3019:20 Unique 2.42, 3.01 A)
&rst
ixpk= 3019, nxpk= 20, iat=1499, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1494,1495,
&end
#
# 97 LEU HN 96 GLY HA+ 4.50 (# 3020:20 Unique 2.42, 3.01 A)
&rst
ixpk= 3020, nxpk= 20, iat=1499, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1494,1495,
&end
#
# 99 ASP HB+ 96 GLY HA- 5.50 (# 3021:20 Unique 2.70, 4.91 A)
&rst
ixpk= 3021, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1532,1533,
igr2=1494,1495,
&end
#
# 99 ASP HB+ 96 GLY HA+ 5.50 (# 3022:20 Unique 2.70, 4.91 A)
&rst
ixpk= 3022, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1532,1533,
igr2=1494,1495,
&end
#
# 99 ASP HB- 96 GLY HA+ 5.50 (# 3023:20 Unique 2.70, 4.91 A)
&rst
ixpk= 3023, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1532,1533,
igr2=1494,1495,
&end
#
# 99 ASP HB- 96 GLY HA- 5.50 (# 3024:20 Unique 2.70, 4.91 A)
&rst
ixpk= 3024, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1532,1533,
igr2=1494,1495,
&end
#
# 86 PHE HD 98 ALA HA 5.50 (# 3025:20 Unique 1.96, 3.52 A)
&rst
ixpk= 3025, nxpk= 20, iat= -1,1520, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1333,1341,
&end
#
# 100 VAL HA 99 ASP HA 4.50 (# 3028:20 Unique 4.77, 4.80 A)
&rst
ixpk= 3028, nxpk= 20, iat=1542,1530, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 96 GLY HA- 99 ASP HB- 4.50 (# 3029:20 Unique 2.70, 4.91 A)
&rst
ixpk= 3029, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1494,1495,
igr2=1532,1533,
&end
#
# 46 MET ME 99 ASP HB+ 5.50 (# 3030:20 Unique 2.36, 4.51 A)
&rst
ixpk= 3030, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 714, 715, 716,
igr2=1532,1533,
&end
#
# 0 AMB 20-2:3031 0 AMB 20-1:3031 5.50 (# 3031:20 Double Ambig)
&rst
ixpk= 3031, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=1546,1547,1548,1550,1551,1552,1546,1547,1548,1550,
1551,1552,
igr2=1532,1533,1532,1533,
&end
#
# 0 AMB 20-2:3032 99 ASP HB- 5.50 (# 3032:20 Single Ambig)
&rst
ixpk= 3032, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1546,1547,1548,1550,1551,1552,1546,1547,1548,1550,
1551,1552,
igr2=1532,1533,
&end
#
# 49 LEU HB+ 100 VAL HA 5.50 (# 3033:20 Unique 3.43, 4.70 A)
&rst
ixpk= 3033, nxpk= 20, iat= -1,1542, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 758, 759,
&end
#
# 0 AMB 20-2:3034 0 AMB 20-1:3034 2.80 (# 3034:20 Double Ambig)
&rst
ixpk= 3034, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1501,1103,
igr2=1544,1100,1101,
&end
#
# 81 GLU HG+ 81 GLU HB- 4.50 (# 3035:20 Unique 2.21, 2.59 A)
&rst
ixpk= 3035, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1258,1259,
igr2=1255,1256,
&end
#
# 101 LEU HG 101 LEU HB- 4.50 (# 3036:20 Unique 2.31, 2.44 A)
&rst
ixpk= 3036, nxpk= 20, iat=1563, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1560,1561,
&end
#
# 99 ASP HA 102 SER HB+ 4.50 (# 3037:20 Unique 2.65, 3.60 A)
&rst
ixpk= 3037, nxpk= 20, iat=1530, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1579,1580,
&end
#
# 99 ASP HA 102 SER HB- 4.50 (# 3038:20 Unique 2.65, 3.60 A)
&rst
ixpk= 3038, nxpk= 20, iat=1530, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1579,1580,
&end
#
# 102 SER HA 102 SER HB- 2.80 (# 3039:20 Unique 2.24, 2.80 A)
&rst
ixpk= 3039, nxpk= 20, iat=1577, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1579,1580,
&end
#
# 102 SER HA 102 SER HB+ 2.80 (# 3040:20 Unique 2.24, 2.80 A)
&rst
ixpk= 3040, nxpk= 20, iat=1577, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1579,1580,
&end
#
# 103 ALA MB 102 SER HB+ 5.50 (# 3041:20 Unique 4.52, 5.40 A)
&rst
ixpk= 3041, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1590,1591,1592,
igr2=1579,1580,
&end
#
# 103 ALA MB 102 SER HB- 5.50 (# 3042:20 Unique 4.52, 5.40 A)
&rst
ixpk= 3042, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1590,1591,1592,
igr2=1579,1580,
&end
#
# 0 AMB 20-2:3043 103 ALA HA 5.50 (# 3043:20 Single Ambig)
&rst
ixpk= 3043, nxpk= 20, iat= -1,1588, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1575,1556,
&end
#
# 106 PHE HB+ 103 ALA HA 3.50 (# 3044:20 Unique 1.84, 2.83 A)
&rst
ixpk= 3044, nxpk= 20, iat= -1,1588, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1643,1644,
&end
#
# 106 PHE HB- 103 ALA HA 4.50 (# 3045:20 Unique 1.84, 2.83 A)
&rst
ixpk= 3045, nxpk= 20, iat= -1,1588, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1643,1644,
&end
#
# 0 AMB 20-2:3046 103 ALA MB 4.50 (# 3046:20 Single Ambig)
&rst
ixpk= 3046, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1579,1580,1558,
igr2=1590,1591,1592,
&end
#
# 46 MET ME 103 ALA MB 2.80 (# 3047:20 Unique 2.81, 4.39 A)
&rst
ixpk= 3047, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 714, 715, 716,
igr2=1590,1591,1592,
&end
#
# 0 AMB 20-2:3048 103 ALA MB 5.50 (# 3048:20 Single Ambig)
&rst
ixpk= 3048, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1600,1601,1684,1685,1560,1561,
igr2=1590,1591,1592,
&end
#
# 49 LEU MDY 103 ALA MB 2.80 (# 3049:20 Unique 1.97, 4.34 A)
&rst
ixpk= 3049, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 763, 764, 765, 767, 768, 769,
igr2=1590,1591,1592,
&end
#
# 0 AMB 20-2:3050 24 GLU HB- 4.50 (# 3050:20 Single Ambig)
&rst
ixpk= 3050, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 378, 379, 437, 438,
igr2= 375, 376,
&end
#
# 0 AMB 20-2:3051 0 AMB 20-1:3051 4.50 (# 3051:20 Double Ambig)
&rst
ixpk= 3051, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1625,1626,1625,1626,
igr2=1619,1620,1619,1620,
&end
#
# 106 PHE HB+ 106 PHE HA 3.50 (# 3052:20 Unique 2.25, 2.82 A)
&rst
ixpk= 3052, nxpk= 20, iat= -1,1641, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1643,1644,
&end
#
# 106 PHE HB- 106 PHE HA 3.50 (# 3053:20 Unique 2.25, 2.82 A)
&rst
ixpk= 3053, nxpk= 20, iat= -1,1641, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1643,1644,
&end
#
# 0 AMB 20-2:3054 70 THR HA 2.80 (# 3054:20 Single Ambig)
&rst
ixpk= 3054, nxpk= 20, iat= -1,1081, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1094,1095,1083,
&end
#
# 106 PHE HA 106 PHE HB+ 3.50 (# 3055:20 Unique 2.25, 2.82 A)
&rst
ixpk= 3055, nxpk= 20, iat=1641, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1643,1644,
&end
#
# 106 PHE HA 106 PHE HB- 3.50 (# 3056:20 Unique 2.25, 2.82 A)
&rst
ixpk= 3056, nxpk= 20, iat=1641, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1643,1644,
&end
#
# 103 ALA HA 106 PHE HB- 4.50 (# 3057:20 Unique 1.84, 2.83 A)
&rst
ixpk= 3057, nxpk= 20, iat=1588, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1643,1644,
&end
#
# 103 ALA HA 106 PHE HB+ 4.50 (# 3058:20 Unique 1.84, 2.83 A)
&rst
ixpk= 3058, nxpk= 20, iat=1588, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1643,1644,
&end
#
# 0 AMB 20-2:3059 106 PHE HB- 5.50 (# 3059:20 Single Ambig)
&rst
ixpk= 3059, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=1579,1580,1675,1676,1617,
igr2=1643,1644,
&end
#
# 0 AMB 20-2:3060 106 PHE HB- 5.50 (# 3060:20 Single Ambig)
&rst
ixpk= 3060, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=1665,1666,1667,1622,1623,
igr2=1643,1644,
&end
#
# 107 THR HB 107 THR HA 2.80 (# 3061:20 Unique 2.22, 2.40 A)
&rst
ixpk= 3061, nxpk= 20, iat=1663,1661, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 107 THR HA 107 THR HB 2.80 (# 3062:20 Unique 2.22, 2.40 A)
&rst
ixpk= 3062, nxpk= 20, iat=1661,1663, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 107 THR HN 107 THR HB 5.50 (# 3063:20 Unique 2.42, 2.89 A)
&rst
ixpk= 3063, nxpk= 20, iat=1659,1663, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 109 GLU HN 108 GLY HA- 5.50 (# 3064:20 Unique 2.60, 3.25 A)
&rst
ixpk= 3064, nxpk= 20, iat=1680, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1675,1676,
&end
#
# 109 GLU HN 108 GLY HA+ 5.50 (# 3065:20 Unique 2.60, 3.25 A)
&rst
ixpk= 3065, nxpk= 20, iat=1680, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1675,1676,
&end
#
# 0 AMB 20-2:3066 109 GLU HA 5.50 (# 3066:20 Single Ambig)
&rst
ixpk= 3066, nxpk= 20, iat= -1,1682, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 811,1617,
&end
#
# 112 LYS HN 111 PRO HB- 4.50 (# 3068:20 Unique 2.00, 3.17 A)
&rst
ixpk= 3068, nxpk= 20, iat=1729, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1722,1723,
&end
#
# 109 GLU HA 109 GLU HB- 5.50 (# 3069:20 Unique 2.42, 2.82 A)
&rst
ixpk= 3069, nxpk= 20, iat=1682, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1684,1685,
&end
#
# 0 AMB 20-2:3071 0 AMB 20-1:3071 2.80 (# 3071:20 Double Ambig)
&rst
ixpk= 3071, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 813, 814, 815,1665,1666,1667, 840, 841,1380,1381,
1719,1720,
igr2=1684,1685,1722,1723,1377,1378,
&end
#
# 0 AMB 20-2:3072 0 AMB 20-1:3072 2.80 (# 3072:20 Double Ambig)
&rst
ixpk= 3072, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 813, 814, 815,1665,1666,1667,
igr2=1684,1685,1684,1685,
&end
#
# 113 LYS HN 112 LYS HB+ 5.50 (# 3073:20 Unique 2.39, 2.93 A)
&rst
ixpk= 3073, nxpk= 20, iat=1751, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1733,1734,
&end
#
# 0 AMB 20-2:3074 0 AMB 20-1:3074 2.80 (# 3074:20 Double Ambig)
&rst
ixpk= 3074, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 837, 838,1736,1737,
igr2=1722,1723,1733,1734,
&end
#
# 113 LYS HN 113 LYS HB- 5.50 (# 3075:20 Unique 2.62, 3.00 A)
&rst
ixpk= 3075, nxpk= 20, iat=1751, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1755,1756,
&end
#
# 57 HIS HB- 113 LYS HB+ 5.50 (# 3076:20 Unique 3.51, 5.03 A)
&rst
ixpk= 3076, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 873, 874,
igr2=1755,1756,
&end
#
# 113 LYS HE+ 113 LYS HB- 5.50 (# 3077:20 Unique 2.19, 3.51 A)
&rst
ixpk= 3077, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1764,1765,
igr2=1755,1756,
&end
#
# 114 LEU HA 114 LEU HB+ 5.50 (# 3078:20 Unique 2.23, 2.60 A)
&rst
ixpk= 3078, nxpk= 20, iat=1775, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1777,1778,
&end
#
# 114 LEU HN 114 LEU HB- 5.50 (# 3079:20 Unique 2.24, 2.84 A)
&rst
ixpk= 3079, nxpk= 20, iat=1773, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1777,1778,
&end
#
# 79 ASP HN 114 LEU HB- 5.50 (# 3080:20 Unique 4.44, 5.33 A)
&rst
ixpk= 3080, nxpk= 20, iat=1224, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1777,1778,
&end
#
# 79 ASP HN 114 LEU HB+ 4.50 (# 3081:20 Unique 4.44, 5.33 A)
&rst
ixpk= 3081, nxpk= 20, iat=1224, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1777,1778,
&end
#
# 114 LEU HG 114 LEU HB+ 3.50 (# 3082:20 Unique 2.45, 2.76 A)
&rst
ixpk= 3082, nxpk= 20, iat=1780, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1777,1778,
&end
#
# 114 LEU HG 114 LEU HB- 2.80 (# 3083:20 Unique 2.45, 2.76 A)
&rst
ixpk= 3083, nxpk= 20, iat=1780, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1777,1778,
&end
#
# 0 AMB 20-2:3084 114 LEU HB- 2.80 (# 3084:20 Single Ambig)
&rst
ixpk= 3084, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1782,1783,1784,1786,1787,1788,1782,1783,1784,1786,
1787,1788, 895, 896, 897, 899, 900, 901,
igr2=1777,1778,
&end
#
# 116 LEU HN 116 LEU HA 5.50 (# 3085:20 Unique 2.91, 2.92 A)
&rst
ixpk= 3085, nxpk= 20, iat=1806,1808, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 116 LEU HN 116 LEU HB- 5.50 (# 3086:20 Unique 2.40, 3.04 A)
&rst
ixpk= 3086, nxpk= 20, iat=1806, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1810,1811,
&end
#
# 0 AMB 20-2:3087 116 LEU HB- 5.50 (# 3087:20 Single Ambig)
&rst
ixpk= 3087, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 924,1825,
igr2=1810,1811,
&end
#
# 0 AMB 20-2:3088 0 AMB 20-1:3088 5.50 (# 3088:20 Double Ambig)
&rst
ixpk= 3088, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 924,1825,
igr2=1810,1811,1810,1811,
&end
#
# 116 LEU HA 116 LEU HB+ 5.50 (# 3089:20 Unique 2.35, 2.69 A)
&rst
ixpk= 3089, nxpk= 20, iat=1808, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1810,1811,
&end
#
# 0 AMB 20-2:3090 0 AMB 20-1:3090 3.50 (# 3090:20 Double Ambig)
&rst
ixpk= 3090, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 928,1813,1185,1186,
igr2=1810,1811,1810,1811,1810,1811,
&end
#
# 0 AMB 20-2:3091 116 LEU HB- 3.50 (# 3091:20 Single Ambig)
&rst
ixpk= 3091, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1813,1185,1186,
igr2=1810,1811,
&end
#
# 0 AMB 20-2:3092 116 LEU HB- 3.50 (# 3092:20 Single Ambig)
&rst
ixpk= 3092, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1815,1816,1817,1819,1820,1821,1782,1783,1784,1786,
1787,1788, 937, 938, 939,
igr2=1810,1811,
&end
#
# 0 AMB 20-2:3093 116 LEU HB- 2.80 (# 3093:20 Single Ambig)
&rst
ixpk= 3093, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1815,1816,1817,1819,1820,1821,1272,1273,1274,1276,
1277,1278,
igr2=1810,1811,
&end
#
# 117 VAL HN 117 VAL HA 3.50 (# 3094:20 Unique 2.93, 2.94 A)
&rst
ixpk= 3094, nxpk= 20, iat=1825,1827, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 77 LEU HN 117 VAL HA 5.50 (# 3095:20 Unique 2.80, 3.22 A)
&rst
ixpk= 3095, nxpk= 20, iat=1181,1827, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 ASP HN 118 GLY HA- 5.50 (# 3096:20 Unique 3.46, 4.40 A)
&rst
ixpk= 3096, nxpk= 20, iat= 953, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1843,1844,
&end
#
# 62 ASP HN 118 GLY HA+ 5.50 (# 3097:20 Unique 3.46, 4.40 A)
&rst
ixpk= 3097, nxpk= 20, iat= 953, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1843,1844,
&end
#
# 64 ILE MD1 118 GLY HA- 2.80 (# 3098:20 Unique 1.94, 3.41 A)
&rst
ixpk= 3098, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 988, 989, 990,
igr2=1843,1844,
&end
#
# 64 ILE HG1- 118 GLY HA- 4.50 (# 3099:20 Unique 2.15, 3.32 A)
&rst
ixpk= 3099, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 985, 986,
igr2=1843,1844,
&end
#
# 64 ILE HG1+ 118 GLY HA- 4.50 (# 3100:20 Unique 2.15, 3.32 A)
&rst
ixpk= 3100, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 985, 986,
igr2=1843,1844,
&end
#
# 150 ARG HG+ 150 ARG HD- 2.80 (# 3101:20 Unique 2.22, 2.68 A)
&rst
ixpk= 3101, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2323,2324,
igr2=2326,2327,
&end
#
# 0 AMB 20-2:3102 0 AMB 20-1:3102 2.80 (# 3102:20 Double Ambig)
&rst
ixpk= 3102, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=2320,2321, 25, 26,
igr2=2326,2327, 31, 32,
&end
#
# 0 AMB 20-2:3103 0 AMB 20-1:3103 2.80 (# 3103:20 Double Ambig)
&rst
ixpk= 3103, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=2323,2324, 28, 29,2393,2394,
igr2=2326,2327, 31, 32,
&end
#
# 18 ILE HG1- 119 VAL HB 4.50 (# 3104:20 Unique 3.57, 4.30 A)
&rst
ixpk= 3104, nxpk= 20, iat= -1,1852, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 280, 281,
&end
#
# 0 AMB 20-2:3105 119 VAL HB 3.50 (# 3105:20 Single Ambig)
&rst
ixpk= 3105, nxpk= 20, iat= -1,1852, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 276, 277, 278,2081,2082,2083,2085,2086,2087,
&end
#
# 119 VAL MGY 119 VAL HB 2.80 (# 3106:20 Unique 2.40, 2.63 A)
&rst
ixpk= 3106, nxpk= 20, iat= -1,1852, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1854,1855,1856,1858,1859,1860,
&end
#
# 119 VAL MGX 119 VAL HB 2.80 (# 3107:20 Unique 2.40, 2.63 A)
&rst
ixpk= 3107, nxpk= 20, iat= -1,1852, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1854,1855,1856,1858,1859,1860,
&end
#
# 120 ILE HA 120 ILE HB 5.50 (# 3108:20 Unique 2.98, 3.00 A)
&rst
ixpk= 3108, nxpk= 20, iat=1866,1868, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:3109 120 ILE HB 3.50 (# 3109:20 Single Ambig)
&rst
ixpk= 3109, nxpk= 20, iat= -1,1868, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1874,1875,1874,1875,
&end
#
# 122 GLU HN 122 GLU HB- 5.50 (# 3110:20 Unique 2.18, 2.84 A)
&rst
ixpk= 3110, nxpk= 20, iat=1897, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1901,1902,
&end
#
# 122 GLU HN 122 GLU HB+ 4.50 (# 3111:20 Unique 2.18, 2.84 A)
&rst
ixpk= 3111, nxpk= 20, iat=1897, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1901,1902,
&end
#
# 123 SER HN 122 GLU HB- 5.50 (# 3112:20 Unique 1.92, 3.22 A)
&rst
ixpk= 3112, nxpk= 20, iat=1912, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1901,1902,
&end
#
# 123 SER HN 122 GLU HB+ 5.50 (# 3113:20 Unique 1.92, 3.22 A)
&rst
ixpk= 3113, nxpk= 20, iat=1912, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1901,1902,
&end
#
# 131 THR MG2 122 GLU HB+ 4.50 (# 3114:20 Unique 1.94, 3.95 A)
&rst
ixpk= 3114, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2039,2040,2041,
igr2=1901,1902,
&end
#
# 123 SER HN 123 SER HB+ 5.50 (# 3115:20 Unique 2.33, 3.09 A)
&rst
ixpk= 3115, nxpk= 20, iat=1912, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1916,1917,
&end
#
# 124 LEU HN 123 SER HB+ 5.50 (# 3116:20 Unique 2.64, 3.36 A)
&rst
ixpk= 3116, nxpk= 20, iat=1923, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1916,1917,
&end
#
# 124 LEU HN 123 SER HB- 5.50 (# 3117:20 Unique 2.64, 3.36 A)
&rst
ixpk= 3117, nxpk= 20, iat=1923, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1916,1917,
&end
#
# 124 LEU HN 124 LEU HB- 4.50 (# 3118:20 Unique 2.20, 3.32 A)
&rst
ixpk= 3118, nxpk= 20, iat=1923, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1927,1928,
&end
#
# 0 AMB 20-2:3119 124 LEU HB- 2.80 (# 3119:20 Single Ambig)
&rst
ixpk= 3119, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1932,1933,1934,1936,1937,1938,1932,1933,1934,1936,
1937,1938,
igr2=1927,1928,
&end
#
# 126 PRO HD- 125 GLU HA 2.80 (# 3120:20 Unique 2.03, 2.27 A)
&rst
ixpk= 3120, nxpk= 20, iat= -1,1944, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1958,1959,
&end
#
# 126 PRO HD+ 125 GLU HA 2.80 (# 3121:20 Unique 2.03, 2.27 A)
&rst
ixpk= 3121, nxpk= 20, iat= -1,1944, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1958,1959,
&end
#
# 13 LEU MDX 125 GLU HA 5.50 (# 3123:20 Unique 3.31, 6.42 A)
&rst
ixpk= 3123, nxpk= 20, iat= -1,1944, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 209, 210, 211, 213, 214, 215,
&end
#
# 126 PRO HD+ 125 GLU HB+ 5.50 (# 3124:20 Unique 1.96, 3.67 A)
&rst
ixpk= 3124, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1958,1959,
igr2=1946,1947,
&end
#
# 0 AMB 20-2:3125 127 HIS HA 5.50 (# 3125:20 Single Ambig)
&rst
ixpk= 3125, nxpk= 20, iat= -1,1973, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1967, 202,
&end
#
# 127 HIS HB+ 127 HIS HA 2.80 (# 3126:20 Unique 2.24, 2.58 A)
&rst
ixpk= 3126, nxpk= 20, iat= -1,1973, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1975,1976,
&end
#
# 127 HIS HB- 127 HIS HA 3.50 (# 3127:20 Unique 2.24, 2.58 A)
&rst
ixpk= 3127, nxpk= 20, iat= -1,1973, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1975,1976,
&end
#
# 128 ILE HG1- 128 ILE HB 4.50 (# 3128:20 Unique 2.25, 2.68 A)
&rst
ixpk= 3128, nxpk= 20, iat= -1,1992, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1998,1999,
&end
#
# 128 ILE MG2 128 ILE HB 2.80 (# 3129:20 Unique 2.22, 2.63 A)
&rst
ixpk= 3129, nxpk= 20, iat= -1,1992, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1994,1995,1996,
&end
#
# 130 LEU HG 129 GLY HA- 5.50 (# 3130:20 Unique 5.09, 6.51 A)
&rst
ixpk= 3130, nxpk= 20, iat=2021, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2009,2010,
&end
#
# 128 ILE MG2 129 GLY HA- 5.50 (# 3131:20 Unique 3.41, 5.01 A)
&rst
ixpk= 3131, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1994,1995,1996,
igr2=2009,2010,
&end
#
# 130 LEU HN 130 LEU HB- 5.50 (# 3132:20 Unique 2.41, 3.12 A)
&rst
ixpk= 3132, nxpk= 20, iat=2014, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2018,2019,
&end
#
# 130 LEU HG 130 LEU HB- 4.50 (# 3135:20 Unique 2.29, 2.46 A)
&rst
ixpk= 3135, nxpk= 20, iat=2021, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2018,2019,
&end
#
# 135 GLU HB+ 130 LEU HB- 5.50 (# 3136:20 Unique 1.98, 3.10 A)
&rst
ixpk= 3136, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2095,2096,
igr2=2018,2019,
&end
#
# 0 AMB 20-2:3137 0 AMB 20-1:3137 4.50 (# 3137:20 Double Ambig)
&rst
ixpk= 3137, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=2095,2096,2095,2096,
igr2=2018,2019,2018,2019,
&end
#
# 0 AMB 20-2:3138 130 LEU HB- 5.50 (# 3138:20 Single Ambig)
&rst
ixpk= 3138, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2098,2099,2079,
igr2=2018,2019,
&end
#
# 0 AMB 20-2:3139 130 LEU HB- 4.50 (# 3139:20 Single Ambig)
&rst
ixpk= 3139, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=2023,2024,2025,2027,2028,2029,2081,2082,2083,2085,
2086,2087,
igr2=2018,2019,
&end
#
# 0 AMB 20-2:3140 130 LEU HB- 4.50 (# 3140:20 Single Ambig)
&rst
ixpk= 3140, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=2023,2024,2025,2027,2028,2029, 283, 284, 285,
igr2=2018,2019,
&end
#
# 0 AMB 20-2:3141 0 AMB 20-1:3141 4.50 (# 3141:20 Double Ambig)
&rst
ixpk= 3141, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=2023,2024,2025,2027,2028,2029, 283, 284, 285,
igr2=2018,2019,2018,2019,
&end
#
# 0 AMB 20-2:3142 0 AMB 20-1:3142 4.50 (# 3142:20 Double Ambig)
&rst
ixpk= 3142, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=2023,2024,2025,2027,2028,2029,2081,2082,2083,2085,
2086,2087,
igr2=2018,2019,2018,2019,
&end
#
# 132 PRO HD- 131 THR HA 2.80 (# 3143:20 Unique 2.37, 2.54 A)
&rst
ixpk= 3143, nxpk= 20, iat= -1,2035, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2048,2049,
&end
#
# 71 PRO HD+ 70 THR HA 2.80 (# 3144:20 Unique 2.16, 2.23 A)
&rst
ixpk= 3144, nxpk= 20, iat= -1,1081, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1094,1095,
&end
#
# 132 PRO HD+ 131 THR HA 2.80 (# 3145:20 Unique 2.37, 2.54 A)
&rst
ixpk= 3145, nxpk= 20, iat= -1,2035, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2048,2049,
&end
#
# 133 THR HN 131 THR HA 5.50 (# 3146:20 Unique 3.92, 3.98 A)
&rst
ixpk= 3146, nxpk= 20, iat=2061,2035, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 131 THR HN 131 THR HA 4.50 (# 3147:20 Unique 2.73, 2.85 A)
&rst
ixpk= 3147, nxpk= 20, iat=2033,2035, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 136 ALA HN 133 THR HA 5.50 (# 3148:20 Unique 4.09, 4.22 A)
&rst
ixpk= 3148, nxpk= 20, iat=2106,2063, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:3149 133 THR HB 2.80 (# 3149:20 Single Ambig)
&rst
ixpk= 3149, nxpk= 20, iat= -1,2065, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=2063,2048,2049,
&end
#
# 135 GLU HN 134 VAL HA 5.50 (# 3150:20 Unique 3.45, 3.49 A)
&rst
ixpk= 3150, nxpk= 20, iat=2091,2077, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 136 ALA HN 134 VAL HA 5.50 (# 3151:20 Unique 3.53, 3.71 A)
&rst
ixpk= 3151, nxpk= 20, iat=2106,2077, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 GLY HA+ 134 VAL HA 5.50 (# 3152:20 Unique 2.77, 3.42 A)
&rst
ixpk= 3152, nxpk= 20, iat= -1,2077, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1109,1110,
&end
#
# 0 AMB 20-2:3153 134 VAL HA 3.50 (# 3153:20 Single Ambig)
&rst
ixpk= 3153, nxpk= 20, iat= -1,2077, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 283, 284, 285,1854,1855,1856,1858,1859,1860,2023,
2024,2025,2027,2028,2029,
&end
#
# 131 THR HN 134 VAL HB 5.50 (# 3154:20 Unique 2.24, 2.59 A)
&rst
ixpk= 3154, nxpk= 20, iat=2033,2079, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 135 GLU HN 134 VAL HB 5.50 (# 3155:20 Unique 2.75, 2.87 A)
&rst
ixpk= 3155, nxpk= 20, iat=2091,2079, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 134 VAL HA 134 VAL HB 5.50 (# 3156:20 Unique 3.01, 3.02 A)
&rst
ixpk= 3156, nxpk= 20, iat=2077,2079, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 138 ILE HN 135 GLU HA 5.50 (# 3157:20 Unique 3.99, 4.18 A)
&rst
ixpk= 3157, nxpk= 20, iat=2133,2093, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 136 ALA HN 135 GLU HA 5.50 (# 3158:20 Unique 3.42, 3.46 A)
&rst
ixpk= 3158, nxpk= 20, iat=2106,2093, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 130 LEU HB- 135 GLU HA 5.50 (# 3159:20 Unique 1.95, 2.39 A)
&rst
ixpk= 3159, nxpk= 20, iat= -1,2093, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2018,2019,
&end
#
# 0 AMB 20-2:3160 0 AMB 20-1:3160 2.80 (# 3160:20 Double Ambig)
&rst
ixpk= 3160, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=2279,1558,
igr2=2320,2321,1289,1290,
&end
#
# 138 ILE HN 136 ALA HA 5.50 (# 3161:20 Unique 3.29, 3.39 A)
&rst
ixpk= 3161, nxpk= 20, iat=2133,2108, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 140 PRO HD+ 136 ALA HA 5.50 (# 3162:20 Unique 4.58, 4.88 A)
&rst
ixpk= 3162, nxpk= 20, iat= -1,2108, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2168,2169,
&end
#
# 0 AMB 20-2:3163 136 ALA HA 4.50 (# 3163:20 Single Ambig)
&rst
ixpk= 3163, nxpk= 20, iat= -1,2108, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2120,2121,2120,2121,
&end
#
# 135 GLU HN 136 ALA MB 5.50 (# 3164:20 Unique 4.65, 5.44 A)
&rst
ixpk= 3164, nxpk= 20, iat=2091, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2110,2111,2112,
&end
#
# 137 MET HN 136 ALA MB 2.80 (# 3165:20 Unique 3.24, 3.91 A)
&rst
ixpk= 3165, nxpk= 20, iat=2116, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=2110,2111,2112,
&end
#
# 0 AMB 20-2:3166 136 ALA MB 3.50 (# 3166:20 Single Ambig)
&rst
ixpk= 3166, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2063,2093,
igr2=2110,2111,2112,
&end
#
# 137 MET HG+ 136 ALA MB 5.50 (# 3167:20 Unique 3.83, 6.16 A)
&rst
ixpk= 3167, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2123,2124,
igr2=2110,2111,2112,
&end
#
# 0 AMB 20-2:3170 136 ALA MB 3.50 (# 3170:20 Single Ambig)
&rst
ixpk= 3170, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2156,2157,2098,2099,
igr2=2110,2111,2112,
&end
#
# 0 AMB 20-2:3171 0 AMB 20-1:3171 4.50 (# 3171:20 Double Ambig)
&rst
ixpk= 3171, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=2123,2124,2123,2124,
igr2=2120,2121,2120,2121,
&end
#
# 137 MET HG- 0 AMB 20-1:3172 3.50 (# 3172:20 Single Ambig)
&rst
ixpk= 3172, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=2123,2124,
igr2=2120,2121,2120,2121,
&end
#
# 0 AMB 20-2:3173 0 AMB 20-1:3173 4.50 (# 3173:20 Double Ambig)
&rst
ixpk= 3173, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1854,1855,1856,1858,1859,1860,2143,2144,
igr2=2120,2121,2120,2121,2120,2121,
&end
#
# 139 GLU HN 138 ILE HA 5.50 (# 3174:20 Unique 3.50, 3.52 A)
&rst
ixpk= 3174, nxpk= 20, iat=2152,2135, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:3175 0 AMB 20-1:3175 5.50 (# 3175:20 Double Ambig)
&rst
ixpk= 3175, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2181,2277,
igr2=2135,2244,
&end
#
# 0 AMB 20-2:3176 0 AMB 20-1:3176 5.50 (# 3176:20 Double Ambig)
&rst
ixpk= 3176, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2260,2093,
igr2=2244,2135,
&end
#
# 145 VAL HB 145 VAL HA 4.50 (# 3177:20 Unique 3.01, 3.02 A)
&rst
ixpk= 3177, nxpk= 20, iat=2246,2244, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 138 ILE HG1+ 138 ILE HA 3.50 (# 3178:20 Unique 2.32, 3.14 A)
&rst
ixpk= 3178, nxpk= 20, iat= -1,2135, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2143,2144,
&end
#
# 148 ALA MB 145 VAL HA 3.50 (# 3179:20 Unique 3.02, 4.02 A)
&rst
ixpk= 3179, nxpk= 20, iat= -1,2244, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=2291,2292,2293,
&end
#
# 141 ALA MB 138 ILE HA 3.50 (# 3180:20 Unique 2.34, 3.45 A)
&rst
ixpk= 3180, nxpk= 20, iat= -1,2135, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=2185,2186,2187,
&end
#
# 0 AMB 20-2:3181 0 AMB 20-1:3181 2.80 (# 3181:20 Double Ambig)
&rst
ixpk= 3181, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1=2146,2147,2148,2248,2249,2250,2252,2253,2254, 346,
347,
igr2=2135,2244,
&end
#
# 0 AMB 20-2:3182 0 AMB 20-1:3182 2.80 (# 3182:20 Double Ambig)
&rst
ixpk= 3182, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1=2248,2249,2250,2252,2253,2254,2143,2144,2139,2140,
2141,
igr2=2244,2135,
&end
#
# 0 AMB 20-2:3183 0 AMB 20-1:3183 5.50 (# 3183:20 Double Ambig)
&rst
ixpk= 3183, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 260,2116,
igr2= 274,2137,
&end
#
# 140 PRO HD- 139 GLU HA 5.50 (# 3184:20 Unique 3.75, 3.91 A)
&rst
ixpk= 3184, nxpk= 20, iat= -1,2154, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2168,2169,
&end
#
# 0 AMB 20-2:3185 0 AMB 20-1:3185 2.80 (# 3185:20 Double Ambig)
&rst
ixpk= 3185, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=2159,2160,2159,2160,
igr2=2156,2157,2156,2157,
&end
#
# 0 AMB 20-2:3186 139 GLU HB- 2.80 (# 3186:20 Single Ambig)
&rst
ixpk= 3186, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=2159,2160,2159,2160,
igr2=2156,2157,
&end
#
# 145 VAL HN 141 ALA MB 5.50 (# 3187:20 Unique 4.91, 5.66 A)
&rst
ixpk= 3187, nxpk= 20, iat=2242, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2185,2186,2187,
&end
#
# 22 ILE HA 141 ALA MB 5.50 (# 3188:20 Unique 3.99, 4.90 A)
&rst
ixpk= 3188, nxpk= 20, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2185,2186,2187,
&end
#
# 138 ILE HA 141 ALA MB 3.50 (# 3189:20 Unique 2.34, 3.45 A)
&rst
ixpk= 3189, nxpk= 20, iat=2135, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2185,2186,2187,
&end
#
# 137 MET ME 141 ALA MB 3.50 (# 3190:20 Unique 2.07, 5.65 A)
&rst
ixpk= 3190, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2127,2128,2129,
igr2=2185,2186,2187,
&end
#
# 0 AMB 20-2:3191 141 ALA MB 3.50 (# 3191:20 Single Ambig)
&rst
ixpk= 3191, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2229,2230, 400, 401,
igr2=2185,2186,2187,
&end
#
# 22 ILE HG1+ 141 ALA MB 2.80 (# 3192:20 Unique 1.95, 3.67 A)
&rst
ixpk= 3192, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 346, 347,
igr2=2185,2186,2187,
&end
#
# 0 AMB 20-2:3193 141 ALA MB 2.80 (# 3193:20 Single Ambig)
&rst
ixpk= 3193, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 346, 347,1831,1832,1833,1835,1836,1837,
igr2=2185,2186,2187,
&end
#
# 0 AMB 20-2:3194 141 ALA MB 2.80 (# 3194:20 Single Ambig)
&rst
ixpk= 3194, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 349, 350, 351, 342, 343, 344,
igr2=2185,2186,2187,
&end
#
# 146 LEU HN 142 LEU HA 5.50 (# 3195:20 Unique 3.87, 4.03 A)
&rst
ixpk= 3195, nxpk= 20, iat=2258,2193, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 144 GLN HN 142 LEU HA 5.50 (# 3196:20 Unique 4.19, 4.30 A)
&rst
ixpk= 3196, nxpk= 20, iat=2225,2193, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:3197 142 LEU HA 5.50 (# 3197:20 Single Ambig)
&rst
ixpk= 3197, nxpk= 20, iat= -1,2193, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 400, 401,2185,2186,2187,
&end
#
# 0 AMB 20-2:3198 0 AMB 20-1:3198 5.50 (# 3198:20 Double Ambig)
&rst
ixpk= 3198, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.76, r4=11.26,
igr1=2217,2218,2214,2215,2214,2215, 11, 12,
igr2=2195,2196,2195,2196,2195,2196, 49,
&end
#
# 0 AMB 20-2:3199 0 AMB 20-1:3199 5.50 (# 3199:20 Double Ambig)
&rst
ixpk= 3199, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.04, r4=12.54,
igr1=2246,2159,2160,2159,2160,2159,2160,2171,2172,2171,
2172,
igr2=2195,2196,2195,2196,2195,2196,2195,2196,2195,2196,
&end
#
# 144 GLN HN 143 GLU HA 5.50 (# 3200:20 Unique 3.51, 3.53 A)
&rst
ixpk= 3200, nxpk= 20, iat=2225,2212, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 143 GLU HG+ 143 GLU HA 3.50 (# 3201:20 Unique 2.21, 3.31 A)
&rst
ixpk= 3201, nxpk= 20, iat= -1,2212, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2217,2218,
&end
#
# 146 LEU MDY 143 GLU HA 5.50 (# 3202:20 Unique 1.97, 4.46 A)
&rst
ixpk= 3202, nxpk= 20, iat= -1,2212, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2267,2268,2269,2271,2272,2273,
&end
#
# 145 VAL HN 144 GLN HA 5.50 (# 3203:20 Unique 3.56, 3.57 A)
&rst
ixpk= 3203, nxpk= 20, iat=2242,2227, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 144 GLN HE2+ 144 GLN HA 5.50 (# 3204:20 Unique 1.96, 3.54 A)
&rst
ixpk= 3204, nxpk= 20, iat= -1,2227, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2237,2238,
&end
#
# 145 VAL HN 144 GLN HB+ 5.50 (# 3205:20 Unique 2.23, 2.95 A)
&rst
ixpk= 3205, nxpk= 20, iat=2242, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2229,2230,
&end
#
# 145 VAL HN 144 GLN HB- 5.50 (# 3206:20 Unique 2.23, 2.95 A)
&rst
ixpk= 3206, nxpk= 20, iat=2242, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2229,2230,
&end
#
# 144 GLN HG+ 144 GLN HB+ 4.50 (# 3207:20 Unique 2.26, 2.56 A)
&rst
ixpk= 3207, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2232,2233,
igr2=2229,2230,
&end
#
# 144 GLN HG+ 144 GLN HB- 4.50 (# 3208:20 Unique 2.26, 2.56 A)
&rst
ixpk= 3208, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2232,2233,
igr2=2229,2230,
&end
#
# 0 AMB 20-2:3209 144 GLN HB- 2.80 (# 3209:20 Single Ambig)
&rst
ixpk= 3209, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=2232,2233,1135,1136,
igr2=2229,2230,
&end
#
# 0 AMB 20-2:3210 0 AMB 20-1:3210 3.50 (# 3210:20 Double Ambig)
&rst
ixpk= 3210, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=2232,2233,1135,1136,
igr2=2229,2230,2229,2230,
&end
#
# 0 AMB 20-2:3211 0 AMB 20-1:3211 4.50 (# 3211:20 Double Ambig)
&rst
ixpk= 3211, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1831,1832,1833,1835,1836,1837,2248,2249,2250,2252,
2253,2254,
igr2=2229,2230,2229,2230,
&end
#
# 145 VAL HA 145 VAL HB 5.50 (# 3212:20 Unique 3.01, 3.02 A)
&rst
ixpk= 3212, nxpk= 20, iat=2244,2246, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 146 LEU HG 146 LEU HB+ 3.50 (# 3213:20 Unique 2.30, 2.77 A)
&rst
ixpk= 3213, nxpk= 20, iat=2265, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2262,2263,
&end
#
# 146 LEU MDX 146 LEU HB+ 3.50 (# 3214:20 Unique 2.17, 3.25 A)
&rst
ixpk= 3214, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2267,2268,2269,2271,2272,2273,
igr2=2262,2263,
&end
#
# 146 LEU MDY 146 LEU HB+ 4.50 (# 3215:20 Unique 2.17, 3.25 A)
&rst
ixpk= 3215, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2267,2268,2269,2271,2272,2273,
igr2=2262,2263,
&end
#
# 150 ARG HD+ 147 ALA HA 5.50 (# 3216:20 Unique 2.31, 4.18 A)
&rst
ixpk= 3216, nxpk= 20, iat= -1,2279, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2326,2327,
&end
#
# 150 ARG HG+ 147 ALA HA 3.50 (# 3217:20 Unique 2.02, 3.72 A)
&rst
ixpk= 3217, nxpk= 20, iat= -1,2279, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2323,2324,
&end
#
# 144 GLN HN 147 ALA MB 5.50 (# 3218:20 Unique 4.65, 5.79 A)
&rst
ixpk= 3218, nxpk= 20, iat=2225, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2281,2282,2283,
&end
#
# 144 GLN HE2+ 147 ALA MB 5.50 (# 3219:20 Unique 2.50, 4.71 A)
&rst
ixpk= 3219, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2237,2238,
igr2=2281,2282,2283,
&end
#
# 149 LEU HN 148 ALA HA 5.50 (# 3220:20 Unique 3.52, 3.53 A)
&rst
ixpk= 3220, nxpk= 20, iat=2297,2289, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 147 ALA HA 148 ALA HA 5.50 (# 3221:20 Unique 4.82, 4.84 A)
&rst
ixpk= 3221, nxpk= 20, iat=2279,2289, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 151 GLU HG- 148 ALA HA 5.50 (# 3222:20 Unique 2.81, 4.13 A)
&rst
ixpk= 3222, nxpk= 20, iat= -1,2289, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2347,2348,
&end
#
# 151 GLU HB- 148 ALA HA 5.50 (# 3223:20 Unique 2.56, 3.61 A)
&rst
ixpk= 3223, nxpk= 20, iat= -1,2289, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2344,2345,
&end
#
# 0 AMB 20-2:3224 148 ALA HA 5.50 (# 3224:20 Single Ambig)
&rst
ixpk= 3224, nxpk= 20, iat= -1,2289, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1798,1799,1800,2301,2302,
&end
#
# 149 LEU HN 148 ALA MB 2.80 (# 3225:20 Unique 2.44, 3.45 A)
&rst
ixpk= 3225, nxpk= 20, iat=2297, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=2291,2292,2293,
&end
#
# 144 GLN HE2- 148 ALA MB 2.80 (# 3226:20 Unique 2.93, 4.55 A)
&rst
ixpk= 3226, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=2237,2238,
igr2=2291,2292,2293,
&end
#
# 145 VAL HA 148 ALA MB 3.50 (# 3227:20 Unique 3.02, 4.02 A)
&rst
ixpk= 3227, nxpk= 20, iat=2244, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2291,2292,2293,
&end
#
# 0 AMB 20-2:3228 148 ALA MB 5.50 (# 3228:20 Single Ambig)
&rst
ixpk= 3228, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2232,2233,2347,2348,
igr2=2291,2292,2293,
&end
#
# 0 AMB 20-2:3229 148 ALA MB 2.80 (# 3229:20 Single Ambig)
&rst
ixpk= 3229, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1798,1799,1800,2301,2302,
igr2=2291,2292,2293,
&end
#
# 0 AMB 20-2:3230 148 ALA MB 2.80 (# 3230:20 Single Ambig)
&rst
ixpk= 3230, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 915, 916,2248,2249,2250,2252,2253,2254,
igr2=2291,2292,2293,
&end
#
# 59 ILE MG2 148 ALA MB 2.80 (# 3231:20 Unique 3.12, 4.83 A)
&rst
ixpk= 3231, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 911, 912, 913,
igr2=2291,2292,2293,
&end
#
# 151 GLU HN 150 ARG HB+ 5.50 (# 3232:20 Unique 2.92, 3.82 A)
&rst
ixpk= 3232, nxpk= 20, iat=2340, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2320,2321,
&end
#
# 84 ALA HN 83 PRO HB- 5.50 (# 3233:20 Unique 2.94, 3.62 A)
&rst
ixpk= 3233, nxpk= 20, iat=1296, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1289,1290,
&end
#
# 150 ARG HD+ 150 ARG HB+ 5.50 (# 3234:20 Unique 1.97, 2.97 A)
&rst
ixpk= 3234, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2326,2327,
igr2=2320,2321,
&end
#
# 150 ARG HD+ 150 ARG HB- 4.50 (# 3235:20 Unique 1.97, 2.97 A)
&rst
ixpk= 3235, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2326,2327,
igr2=2320,2321,
&end
#
# 150 ARG HD- 150 ARG HB- 5.50 (# 3236:20 Unique 1.97, 2.97 A)
&rst
ixpk= 3236, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2326,2327,
igr2=2320,2321,
&end
#
# 0 AMB 20-2:3238 0 AMB 20-1:3238 2.80 (# 3238:20 Double Ambig)
&rst
ixpk= 3238, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=2340, 447,
igr2=2344,2345, 434, 435,
&end
#
# 0 AMB 20-2:3239 0 AMB 20-1:3239 5.50 (# 3239:20 Double Ambig)
&rst
ixpk= 3239, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2373,2237,2238,
igr2=2344,2345,2344,2345,
&end
#
# 152 SER HN 151 GLU HB- 5.50 (# 3240:20 Unique 2.67, 3.30 A)
&rst
ixpk= 3240, nxpk= 20, iat=2355, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2344,2345,
&end
#
# 148 ALA HA 151 GLU HB+ 5.50 (# 3241:20 Unique 2.56, 3.61 A)
&rst
ixpk= 3241, nxpk= 20, iat=2289, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2344,2345,
&end
#
# 151 GLU HG+ 151 GLU HB+ 2.80 (# 3242:20 Unique 2.21, 2.65 A)
&rst
ixpk= 3242, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2347,2348,
igr2=2344,2345,
&end
#
# 152 SER HB+ 152 SER HA 4.50 (# 3243:20 Unique 2.24, 2.76 A)
&rst
ixpk= 3243, nxpk= 20, iat= -1,2357, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2359,2360,
&end
#
# 152 SER HB- 152 SER HA 3.50 (# 3244:20 Unique 2.24, 2.76 A)
&rst
ixpk= 3244, nxpk= 20, iat= -1,2357, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2359,2360,
&end
#
# 0 AMB 20-2:3245 152 SER HA 5.50 (# 3245:20 Single Ambig)
&rst
ixpk= 3245, nxpk= 20, iat= -1,2357, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 58, 59, 60,2301,2302,
&end
#
# 0 AMB 20-2:3246 152 SER HA 4.50 (# 3246:20 Single Ambig)
&rst
ixpk= 3246, nxpk= 20, iat= -1,2357, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1761,1762,2379,2380,2381,2383,2384,2385,1758,1759,
&end
#
# 0 AMB 20-2:3247 0 AMB 20-1:3247 4.50 (# 3247:20 Double Ambig)
&rst
ixpk= 3247, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 58, 59, 60,2301,2302,
igr2=2359,2360,2359,2360,
&end
#
# 152 SER HA 152 SER HB+ 4.50 (# 3248:20 Unique 2.24, 2.76 A)
&rst
ixpk= 3248, nxpk= 20, iat=2357, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2359,2360,
&end
#
# 152 SER HN 152 SER HB+ 5.50 (# 3249:20 Unique 2.11, 2.65 A)
&rst
ixpk= 3249, nxpk= 20, iat=2355, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2359,2360,
&end
#
# 0 AMB 20-2:3250 154 VAL HA 4.50 (# 3250:20 Single Ambig)
&rst
ixpk= 3250, nxpk= 20, iat= -1,2375, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2391,2359,2360,
&end
#
# 154 VAL MGY 154 VAL HA 2.80 (# 3251:20 Unique 2.03, 3.11 A)
&rst
ixpk= 3251, nxpk= 20, iat= -1,2375, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=2379,2380,2381,2383,2384,2385,
&end
#
# 0 AMB 20-2:3252 154 VAL HB 5.50 (# 3252:20 Single Ambig)
&rst
ixpk= 3252, nxpk= 20, iat= -1,2377, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2299, 531, 532,
&end
#
# 33 PRO HD+ 154 VAL HB 5.50 (# 3253:20 Unique 4.79, 5.35 A)
&rst
ixpk= 3253, nxpk= 20, iat= -1,2377, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 531, 532,
&end
#
# 0 AMB 20-2:3254 154 VAL HB 2.80 (# 3254:20 Single Ambig)
&rst
ixpk= 3254, nxpk= 20, iat= -1,2377, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=2379,2380,2381,2383,2384,2385,2306,2307,2308,2310,
2311,2312,2306,2307,2308,2310,2311,2312,
&end
#
# 154 VAL HA 155 GLU HB+ 5.50 (# 3255:20 Unique 4.30, 4.63 A)
&rst
ixpk= 3255, nxpk= 20, iat=2375, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2393,2394,
&end
#
# 155 GLU HG- 155 GLU HB- 2.80 (# 3256:20 Unique 2.21, 2.70 A)
&rst
ixpk= 3256, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2396,2397,
igr2=2393,2394,
&end
#
# 155 GLU HG- 155 GLU HB+ 2.80 (# 3257:20 Unique 2.21, 2.70 A)
&rst
ixpk= 3257, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2396,2397,
igr2=2393,2394,
&end
#
# 30 TYR HD 156 ALA HA 5.50 (# 3259:20 Unique 4.10, 5.85 A)
&rst
ixpk= 3259, nxpk= 20, iat= -1,2406, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 479, 488,
&end
#
# 0 AMB 20-2:3260 156 ALA HA 5.50 (# 3260:20 Single Ambig)
&rst
ixpk= 3260, nxpk= 20, iat= -1,2406, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2418,2320,2321,
&end
#
# 0 AMB 20-2:3261 156 ALA HA 5.50 (# 3261:20 Single Ambig)
&rst
ixpk= 3261, nxpk= 20, iat= -1,2406, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 515, 516, 496,
&end
#
# 30 TYR HB- 156 ALA HA 5.50 (# 3262:20 Unique 3.53, 4.48 A)
&rst
ixpk= 3262, nxpk= 20, iat= -1,2406, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 475, 476,
&end
#
# 157 ILE HG1- 156 ALA HA 5.50 (# 3263:20 Unique 3.45, 4.38 A)
&rst
ixpk= 3263, nxpk= 20, iat= -1,2406, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2424,2425,
&end
#
# 30 TYR HA 156 ALA MB 5.50 (# 3265:20 Unique 4.99, 6.11 A)
&rst
ixpk= 3265, nxpk= 20, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2408,2409,2410,
&end
#
# 0 AMB 20-2:3266 156 ALA MB 2.80 (# 3266:20 Single Ambig)
&rst
ixpk= 3266, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 520, 521, 522, 524, 525, 526, 405, 406, 407, 409,
410, 411,
igr2=2408,2409,2410,
&end
#
# 31 ILE HN 157 ILE HB 5.50 (# 3267:20 Unique 2.37, 2.66 A)
&rst
ixpk= 3267, nxpk= 20, iat= 492,2418, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:3268 157 ILE HB 5.50 (# 3268:20 Single Ambig)
&rst
ixpk= 3268, nxpk= 20, iat= -1,2418, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2406,2443,
&end
#
# 31 ILE HB 157 ILE HB 2.80 (# 3269:20 Unique 2.16, 2.34 A)
&rst
ixpk= 3269, nxpk= 20, iat= 496,2418, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 157 ILE HG1+ 157 ILE HB 3.50 (# 3270:20 Unique 2.45, 2.78 A)
&rst
ixpk= 3270, nxpk= 20, iat= -1,2418, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2424,2425,
&end
#
# 159 ARG HG- 159 ARG HB- 2.80 (# 3272:20 Unique 2.21, 2.65 A)
&rst
ixpk= 3272, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2454,2455,
igr2=2451,2452,
&end
#
# 159 ARG HG- 159 ARG HB+ 3.50 (# 3273:20 Unique 2.21, 2.65 A)
&rst
ixpk= 3273, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2454,2455,
igr2=2451,2452,
&end
#
# 157 ILE HA 160 SER HA 4.50 (# 3274:20 Unique 4.64, 4.69 A)
&rst
ixpk= 3274, nxpk= 20, iat=2416,2473, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:3276 160 SER HA 2.80 (# 3276:20 Single Ambig)
&rst
ixpk= 3276, nxpk= 20, iat= -1,2473, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2475,2476,2475,2476,
&end
#
# 160 SER HA 160 SER HB+ 2.80 (# 3277:20 Unique 2.40, 2.78 A)
&rst
ixpk= 3277, nxpk= 20, iat=2473, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2475,2476,
&end
#
# 160 SER HA 160 SER HB- 2.80 (# 3278:20 Unique 2.40, 2.78 A)
&rst
ixpk= 3278, nxpk= 20, iat=2473, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2475,2476,
&end
#
# 31 ILE HA 160 SER HB+ 5.50 (# 3279:20 Unique 5.76, 6.53 A)
&rst
ixpk= 3279, nxpk= 20, iat= 494, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2475,2476,
&end
#
# 0 AMB 20-2:3280 0 AMB 20-1:3280 4.50 (# 3280:20 Double Ambig)
&rst
ixpk= 3280, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1=1397, 996, 494,1884,1885,
igr2=1418,1419,1418,1419,1418,1419,2475,2476,1418,1419,
&end
#
# 161 ASP HN 161 ASP HB+ 5.50 (# 3281:20 Unique 2.39, 3.05 A)
&rst
ixpk= 3281, nxpk= 20, iat=2482, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2486,2487,
&end
#
# 161 ASP HN 161 ASP HB- 5.50 (# 3282:20 Unique 2.39, 3.05 A)
&rst
ixpk= 3282, nxpk= 20, iat=2482, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2486,2487,
&end
#
# 0 AMB 20-2:3283 2 ARG HA 3.50 (# 3283:20 Single Ambig)
&rst
ixpk= 3283, nxpk= 20, iat= -1, 23, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 28, 29, 49,
&end
#
# 2 ARG HD+ 2 ARG HG+ 4.50 (# 3284:20 Unique 2.23, 2.66 A)
&rst
ixpk= 3284, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 31, 32,
igr2= 28, 29,
&end
#
# 2 ARG HD+ 2 ARG HG- 4.50 (# 3285:20 Unique 2.23, 2.66 A)
&rst
ixpk= 3285, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 31, 32,
igr2= 28, 29,
&end
#
# 2 ARG HD- 2 ARG HG+ 5.50 (# 3286:20 Unique 2.23, 2.66 A)
&rst
ixpk= 3286, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 31, 32,
igr2= 28, 29,
&end
#
# 2 ARG HD- 2 ARG HG- 4.50 (# 3287:20 Unique 2.23, 2.66 A)
&rst
ixpk= 3287, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 31, 32,
igr2= 28, 29,
&end
#
# 2 ARG HA 2 ARG HG+ 5.50 (# 3290:20 Unique 2.73, 3.49 A)
&rst
ixpk= 3290, nxpk= 20, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 28, 29,
&end
#
# 112 LYS HN 2 ARG HD+ 5.50 (# 3294:20 Unique 5.77, 6.45 A)
&rst
ixpk= 3294, nxpk= 20, iat=1729, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 31, 32,
&end
#
# 0 AMB 20-2:3295 3 ILE HA 5.50 (# 3295:20 Single Ambig)
&rst
ixpk= 3295, nxpk= 20, iat= -1, 47, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 58, 59, 60, 890, 891,
&end
#
# 3 ILE HG1+ 3 ILE HA 5.50 (# 3296:20 Unique 2.19, 2.75 A)
&rst
ixpk= 3296, nxpk= 20, iat= -1, 47, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 55, 56,
&end
#
# 0 AMB 20-2:3297 3 ILE HA 4.50 (# 3297:20 Single Ambig)
&rst
ixpk= 3297, nxpk= 20, iat= -1, 47, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 55, 56, 840, 841,
&end
#
# 57 HIS HN 3 ILE HA 4.50 (# 3298:20 Unique 2.58, 2.89 A)
&rst
ixpk= 3298, nxpk= 20, iat= 869, 47, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 LEU HN 3 ILE HA 3.50 (# 3299:20 Unique 2.16, 2.19 A)
&rst
ixpk= 3299, nxpk= 20, iat= 64, 47, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 3 ILE HN 3 ILE HA 5.50 (# 3300:20 Unique 2.93, 2.94 A)
&rst
ixpk= 3300, nxpk= 20, iat= 45, 47, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 3 ILE HA 3 ILE HG1- 4.50 (# 3301:20 Unique 2.19, 2.75 A)
&rst
ixpk= 3301, nxpk= 20, iat= 47, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 55, 56,
&end
#
# 0 AMB 20-2:3302 0 AMB 20-1:3302 4.50 (# 3302:20 Double Ambig)
&rst
ixpk= 3302, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 49, 8, 9,
igr2= 55, 56, 55, 56,
&end
#
# 3 ILE MD1 3 ILE HG1+ 3.50 (# 3305:20 Unique 2.20, 2.62 A)
&rst
ixpk= 3305, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 58, 59, 60,
igr2= 55, 56,
&end
#
# 3 ILE MD1 3 ILE HG1- 3.50 (# 3306:20 Unique 2.20, 2.62 A)
&rst
ixpk= 3306, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 58, 59, 60,
igr2= 55, 56,
&end
#
# 3 ILE MG2 3 ILE HG1- 2.80 (# 3308:20 Unique 2.06, 3.19 A)
&rst
ixpk= 3308, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 51, 52, 53,
igr2= 55, 56,
&end
#
# 3 ILE HN 3 ILE MD1 5.50 (# 3309:20 Unique 3.07, 4.08 A)
&rst
ixpk= 3309, nxpk= 20, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 58, 59, 60,
&end
#
# 57 HIS HN 3 ILE MD1 5.50 (# 3310:20 Unique 4.46, 5.49 A)
&rst
ixpk= 3310, nxpk= 20, iat= 869, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 58, 59, 60,
&end
#
# 36 VAL HA 3 ILE MD1 5.50 (# 3311:20 Unique 3.79, 4.78 A)
&rst
ixpk= 3311, nxpk= 20, iat= 579, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 58, 59, 60,
&end
#
# 1 MET ME 3 ILE MD1 4.50 (# 3312:20 Unique 1.96, 3.52 A)
&rst
ixpk= 3312, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 15, 16, 17,
igr2= 58, 59, 60,
&end
#
# 0 AMB 20-2:3313 3 ILE MD1 3.50 (# 3313:20 Single Ambig)
&rst
ixpk= 3313, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 49, 8, 9,
igr2= 58, 59, 60,
&end
#
# 3 ILE HG1- 3 ILE MD1 2.80 (# 3314:20 Unique 2.20, 2.62 A)
&rst
ixpk= 3314, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 55, 56,
igr2= 58, 59, 60,
&end
#
# 3 ILE HG1+ 3 ILE MD1 2.80 (# 3315:20 Unique 2.20, 2.62 A)
&rst
ixpk= 3315, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 55, 56,
igr2= 58, 59, 60,
&end
#
# 154 VAL MGY 3 ILE MD1 2.80 (# 3316:20 Unique 1.88, 4.10 A)
&rst
ixpk= 3316, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=2379,2380,2381,2383,2384,2385,
igr2= 58, 59, 60,
&end
#
# 59 ILE MD1 3 ILE MD1 5.50 (# 3317:20 Unique 5.71, 7.48 A)
&rst
ixpk= 3317, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 918, 919, 920,
igr2= 58, 59, 60,
&end
#
# 59 ILE MD1 3 ILE MG2 4.50 (# 3318:20 Unique 2.48, 4.10 A)
&rst
ixpk= 3318, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 918, 919, 920,
igr2= 51, 52, 53,
&end
#
# 0 AMB 20-2:3319 3 ILE MG2 2.80 (# 3319:20 Single Ambig)
&rst
ixpk= 3319, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 58, 59, 60,2301,2302,
igr2= 51, 52, 53,
&end
#
# 0 AMB 20-2:3320 3 ILE MG2 2.80 (# 3320:20 Single Ambig)
&rst
ixpk= 3320, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 583, 584, 585, 587, 588, 589, 583, 584, 585, 587,
588, 589,2306,2307,2308,2310,2311,2312,2306,2307,
2308,2310,2311,2312,
igr2= 51, 52, 53,
&end
#
# 38 ILE HN 4 LEU MDX 5.50 (# 3323:20 Unique 3.64, 5.54 A)
&rst
ixpk= 3323, nxpk= 20, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 73, 74, 75, 77, 78, 79,
&end
#
# 37 GLU HN 4 LEU MDX 5.50 (# 3324:20 Unique 2.11, 4.07 A)
&rst
ixpk= 3324, nxpk= 20, iat= 593, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 73, 74, 75, 77, 78, 79,
&end
#
# 39 LEU HN 5 VAL MGY 5.50 (# 3326:20 Unique 2.14, 4.60 A)
&rst
ixpk= 3326, nxpk= 20, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 89, 90, 91, 93, 94, 95,
&end
#
# 23 VAL HB 5 VAL MGY 4.50 (# 3327:20 Unique 2.33, 4.51 A)
&rst
ixpk= 3327, nxpk= 20, iat= 359, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 89, 90, 91, 93, 94, 95,
&end
#
# 23 VAL MGY 5 VAL MGY 3.50 (# 3328:20 Unique 1.95, 5.74 A)
&rst
ixpk= 3328, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 361, 362, 363, 365, 366, 367,
igr2= 89, 90, 91, 93, 94, 95,
&end
#
# 146 LEU MDY 5 VAL MGY 5.50 (# 3330:20 Unique 5.40, 9.02 A)
&rst
ixpk= 3330, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=2267,2268,2269,2271,2272,2273,
igr2= 89, 90, 91, 93, 94, 95,
&end
#
# 23 VAL HB 5 VAL MGX 5.50 (# 3331:20 Unique 2.33, 4.51 A)
&rst
ixpk= 3331, nxpk= 20, iat= 359, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 89, 90, 91, 93, 94, 95,
&end
#
# 0 AMB 20-2:3332 5 VAL MGX 5.50 (# 3332:20 Single Ambig)
&rst
ixpk= 3332, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.25, r4=10.75,
igr1=2246, 600, 601, 422, 423, 422, 423,
igr2= 89, 90, 91, 93, 94, 95,
&end
#
# 0 AMB 20-2:3333 5 VAL MGX 5.50 (# 3333:20 Single Ambig)
&rst
ixpk= 3333, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 890, 891, 634,
igr2= 89, 90, 91, 93, 94, 95,
&end
#
# 59 ILE MD1 5 VAL MGX 2.80 (# 3334:20 Unique 1.98, 4.77 A)
&rst
ixpk= 3334, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 918, 919, 920,
igr2= 89, 90, 91, 93, 94, 95,
&end
#
# 0 AMB 20-2:3336 6 LEU HA 5.50 (# 3336:20 Single Ambig)
&rst
ixpk= 3336, nxpk= 20, iat= -1, 101, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 106, 739, 740,
&end
#
# 39 LEU HB+ 6 LEU HA 4.50 (# 3337:20 Unique 1.95, 2.76 A)
&rst
ixpk= 3337, nxpk= 20, iat= -1, 101, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 631, 632,
&end
#
# 0 AMB 20-2:3338 0 AMB 20-1:3338 2.80 (# 3338:20 Double Ambig)
&rst
ixpk= 3338, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 744, 745, 746, 748, 749, 750, 108, 109, 110, 112,
113, 114, 930, 931, 932, 131, 132, 133, 135, 136,
137,
igr2= 103, 104, 103, 104, 103, 104, 103, 104,
&end
#
# 6 LEU HN 58 LEU MDY 5.50 (# 3339:20 Unique 2.41, 4.57 A)
&rst
ixpk= 3339, nxpk= 20, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 0 AMB 20-2:3340 58 LEU MDY 5.50 (# 3340:20 Single Ambig)
&rst
ixpk= 3340, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 924, 833,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 52 MET HN 58 LEU MDY 5.50 (# 3341:20 Unique 3.94, 5.40 A)
&rst
ixpk= 3341, nxpk= 20, iat= 792, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 0 AMB 20-2:3343 0 AMB 20-1:3343 4.50 (# 3343:20 Double Ambig)
&rst
ixpk= 3343, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 648, 610, 127,
igr2= 636, 637, 638, 640, 641, 642, 108, 109, 110, 112,
113, 114,
&end
#
# 0 AMB 20-2:3344 0 AMB 20-1:3344 5.50 (# 3344:20 Double Ambig)
&rst
ixpk= 3344, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 737, 782,
igr2= 108, 109, 110, 112, 113, 114, 636, 637, 638, 640,
641, 642,
&end
#
# 41 GLY HA- 6 LEU MDX 3.50 (# 3345:20 Unique 4.03, 6.40 A)
&rst
ixpk= 3345, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 660, 661,
igr2= 108, 109, 110, 112, 113, 114,
&end
#
# 0 AMB 20-2:3346 6 LEU MDX 2.80 (# 3346:20 Single Ambig)
&rst
ixpk= 3346, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 742, 631, 632,
igr2= 108, 109, 110, 112, 113, 114,
&end
#
# 44 ALA MB 8 VAL HB 5.50 (# 3347:20 Unique 2.51, 4.18 A)
&rst
ixpk= 3347, nxpk= 20, iat= -1, 129, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 690, 691, 692,
&end
#
# 0 AMB 20-2:3348 0 AMB 20-1:3348 2.80 (# 3348:20 Double Ambig)
&rst
ixpk= 3348, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 129,2229,2230,
igr2= 131, 132, 133, 135, 136, 137,2248,2249,2250,2252,
2253,2254,
&end
#
# 62 ASP HA 8 VAL MGY 5.50 (# 3350:20 Unique 4.05, 6.50 A)
&rst
ixpk= 3350, nxpk= 20, iat= 955, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 131, 132, 133, 135, 136, 137,
&end
#
# 7 GLY HA- 8 VAL MGY 5.50 (# 3352:20 Unique 3.64, 5.43 A)
&rst
ixpk= 3352, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 120, 121,
igr2= 131, 132, 133, 135, 136, 137,
&end
#
# 8 VAL HB 8 VAL MGY 2.80 (# 3353:20 Unique 2.22, 2.63 A)
&rst
ixpk= 3353, nxpk= 20, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 131, 132, 133, 135, 136, 137,
&end
#
# 0 AMB 20-2:3354 9 GLY HA- 4.50 (# 3354:20 Single Ambig)
&rst
ixpk= 3354, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 125, 157, 158,
igr2= 143, 144,
&end
#
# 0 AMB 20-2:3355 0 AMB 20-1:3355 2.80 (# 3355:20 Double Ambig)
&rst
ixpk= 3355, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 175, 176, 177, 190, 191, 192, 194, 195, 196,
igr2= 172, 173, 172, 173, 172, 173,
&end
#
# 11 ILE MG2 0 AMB 20-1:3356 2.80 (# 3356:20 Single Ambig)
&rst
ixpk= 3356, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 168, 169, 170,
igr2= 172, 173, 172, 173,
&end
#
# 0 AMB 20-2:3357 0 AMB 20-1:3357 2.80 (# 3357:20 Double Ambig)
&rst
ixpk= 3357, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 190, 191, 192, 194, 195, 196, 302, 303, 304, 306,
307, 308,2001,2002,2003,
igr2= 172, 173, 172, 173, 172, 173, 172, 173,
&end
#
# 12 LEU HA 11 ILE MD1 4.50 (# 3359:20 Unique 4.43, 5.73 A)
&rst
ixpk= 3359, nxpk= 20, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 175, 176, 177,
&end
#
# 0 AMB 20-2:3360 11 ILE MD1 3.50 (# 3360:20 Single Ambig)
&rst
ixpk= 3360, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 188, 185, 186, 185, 186,
igr2= 175, 176, 177,
&end
#
# 10 ASN HN 11 ILE MG2 5.50 (# 3361:20 Unique 3.57, 5.18 A)
&rst
ixpk= 3361, nxpk= 20, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 168, 169, 170,
&end
#
# 20 VAL HN 11 ILE MG2 5.50 (# 3362:20 Unique 3.51, 4.35 A)
&rst
ixpk= 3362, nxpk= 20, iat= 296, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 168, 169, 170,
&end
#
# 11 ILE HB 11 ILE MG2 2.80 (# 3364:20 Unique 2.22, 2.63 A)
&rst
ixpk= 3364, nxpk= 20, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 168, 169, 170,
&end
#
# 17 ALA MB 11 ILE MG2 2.80 (# 3365:20 Unique 2.02, 4.47 A)
&rst
ixpk= 3365, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 264, 265, 266,
igr2= 168, 169, 170,
&end
#
# 21 ARG HG+ 11 ILE MG2 4.50 (# 3366:20 Unique 4.02, 6.17 A)
&rst
ixpk= 3366, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 319, 320,
igr2= 168, 169, 170,
&end
#
# 20 VAL HB 11 ILE MG2 3.50 (# 3367:20 Unique 1.87, 2.55 A)
&rst
ixpk= 3367, nxpk= 20, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 168, 169, 170,
&end
#
# 0 AMB 20-2:3368 11 ILE MG2 2.80 (# 3368:20 Single Ambig)
&rst
ixpk= 3368, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 172, 173, 172, 173,
igr2= 168, 169, 170,
&end
#
# 0 AMB 20-2:3369 11 ILE MG2 2.80 (# 3369:20 Single Ambig)
&rst
ixpk= 3369, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 302, 303, 304, 306, 307, 308, 302, 303, 304, 306,
307, 308,
igr2= 168, 169, 170,
&end
#
# 11 ILE MD1 11 ILE MG2 2.80 (# 3370:20 Unique 1.98, 4.04 A)
&rst
ixpk= 3370, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 175, 176, 177,
igr2= 168, 169, 170,
&end
#
# 0 AMB 20-2:3371 0 AMB 20-1:3371 3.50 (# 3371:20 Double Ambig)
&rst
ixpk= 3371, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 209, 210, 211, 213, 214, 215,1932,1933,1934,1936,
1937,1938,
igr2= 204, 205, 204, 205,
&end
#
# 0 AMB 20-2:3372 13 LEU MDY 5.50 (# 3372:20 Single Ambig)
&rst
ixpk= 3372, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1967, 202,
igr2= 209, 210, 211, 213, 214, 215,
&end
#
# 0 AMB 20-2:3373 0 AMB 20-1:3373 4.50 (# 3373:20 Double Ambig)
&rst
ixpk= 3373, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1598,1944,
igr2= 763, 764, 765, 767, 768, 769, 209, 210, 211, 213,
214, 215,
&end
#
# 0 AMB 20-2:3374 49 LEU MDY 3.50 (# 3374:20 Single Ambig)
&rst
ixpk= 3374, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1542, 775, 776,
igr2= 763, 764, 765, 767, 768, 769,
&end
#
# 0 AMB 20-2:3375 13 LEU MDX 4.50 (# 3375:20 Single Ambig)
&rst
ixpk= 3375, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 219, 245,
igr2= 209, 210, 211, 213, 214, 215,
&end
#
# 10 ASN HD2- 13 LEU MDX 5.50 (# 3376:20 Unique 1.83, 3.92 A)
&rst
ixpk= 3376, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 157, 158,
igr2= 209, 210, 211, 213, 214, 215,
&end
#
# 10 ASN HD2+ 13 LEU MDX 5.50 (# 3377:20 Unique 1.83, 3.92 A)
&rst
ixpk= 3377, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 157, 158,
igr2= 209, 210, 211, 213, 214, 215,
&end
#
# 125 GLU HA 13 LEU MDX 5.50 (# 3378:20 Unique 3.31, 6.42 A)
&rst
ixpk= 3378, nxpk= 20, iat=1944, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 209, 210, 211, 213, 214, 215,
&end
#
# 126 PRO HD- 13 LEU MDX 5.50 (# 3379:20 Unique 3.40, 6.31 A)
&rst
ixpk= 3379, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1958,1959,
igr2= 209, 210, 211, 213, 214, 215,
&end
#
# 0 AMB 20-2:3380 13 LEU MDX 5.50 (# 3380:20 Single Ambig)
&rst
ixpk= 3380, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 252, 253, 252, 253,
igr2= 209, 210, 211, 213, 214, 215,
&end
#
# 16 GLU HB+ 13 LEU MDX 5.50 (# 3381:20 Unique 2.66, 4.80 A)
&rst
ixpk= 3381, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 249, 250,
igr2= 209, 210, 211, 213, 214, 215,
&end
#
# 0 AMB 20-2:3382 13 LEU MDX 3.50 (# 3382:20 Single Ambig)
&rst
ixpk= 3382, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 204, 205,1930,
igr2= 209, 210, 211, 213, 214, 215,
&end
#
# 13 LEU HG 13 LEU MDX 2.80 (# 3383:20 Unique 2.22, 2.63 A)
&rst
ixpk= 3383, nxpk= 20, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 209, 210, 211, 213, 214, 215,
&end
#
# 130 LEU HN 14 THR MG2 5.50 (# 3385:20 Unique 2.68, 4.45 A)
&rst
ixpk= 3385, nxpk= 20, iat=2014, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 225, 226, 227,
&end
#
# 123 SER HN 15 ASP HB+ 5.50 (# 3386:20 Unique 3.56, 4.29 A)
&rst
ixpk= 3386, nxpk= 20, iat=1912, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 237, 238,
&end
#
# 123 SER HN 15 ASP HB- 5.50 (# 3387:20 Unique 3.56, 4.29 A)
&rst
ixpk= 3387, nxpk= 20, iat=1912, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 237, 238,
&end
#
# 0 AMB 20-2:3388 0 AMB 20-1:3388 4.50 (# 3388:20 Double Ambig)
&rst
ixpk= 3388, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 204, 205, 204, 205,1930,
igr2= 252, 253, 252, 253, 252, 253,
&end
#
# 13 LEU HB- 0 AMB 20-1:3389 5.50 (# 3389:20 Single Ambig)
&rst
ixpk= 3389, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 204, 205,
igr2= 252, 253, 252, 253,
&end
#
# 0 AMB 20-2:3390 17 ALA HA 5.50 (# 3390:20 Single Ambig)
&rst
ixpk= 3390, nxpk= 20, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 143, 144, 150,
&end
#
# 0 AMB 20-2:3391 17 ALA MB 5.50 (# 3391:20 Single Ambig)
&rst
ixpk= 3391, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 249, 250, 252, 253, 252, 253,
igr2= 264, 265, 266,
&end
#
# 0 AMB 20-2:3392 0 AMB 20-1:3392 2.80 (# 3392:20 Double Ambig)
&rst
ixpk= 3392, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 283, 284, 285,2146,2147,2148,2023,2024,2025,2027,
2028,2029,
igr2= 274,2137,
&end
#
# 0 AMB 20-2:3393 18 ILE HG1- 5.50 (# 3393:20 Single Ambig)
&rst
ixpk= 3393, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1852,2018,2019,
igr2= 280, 281,
&end
#
# 0 AMB 20-2:3394 0 AMB 20-1:3394 5.50 (# 3394:20 Double Ambig)
&rst
ixpk= 3394, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1852,2018,2019,
igr2= 280, 281, 280, 281,
&end
#
# 18 ILE HB 18 ILE HG1- 5.50 (# 3395:20 Unique 2.48, 2.77 A)
&rst
ixpk= 3395, nxpk= 20, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 280, 281,
&end
#
# 0 AMB 20-2:3396 0 AMB 20-1:3396 5.50 (# 3396:20 Double Ambig)
&rst
ixpk= 3396, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 274, 346, 347,
igr2= 280, 281, 280, 281,
&end
#
# 0 AMB 20-2:3398 0 AMB 20-1:3398 2.80 (# 3398:20 Double Ambig)
&rst
ixpk= 3398, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1854,1855,1856,1858,1859,1860, 283, 284, 285,
igr2= 280, 281, 280, 281,
&end
#
# 0 AMB 20-2:3399 0 AMB 20-1:3399 3.50 (# 3399:20 Double Ambig)
&rst
ixpk= 3399, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1854,1855,1856,1858,1859,1860, 349, 350, 351,
igr2= 280, 281, 280, 281,
&end
#
# 0 AMB 20-2:3400 18 ILE HG1- 3.50 (# 3400:20 Single Ambig)
&rst
ixpk= 3400, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1854,1855,1856,1858,1859,1860, 349, 350, 351,
igr2= 280, 281,
&end
#
# 0 AMB 20-2:3401 18 ILE MD1 5.50 (# 3401:20 Single Ambig)
&rst
ixpk= 3401, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 336,1864,
igr2= 283, 284, 285,
&end
#
# 0 AMB 20-2:3402 18 ILE MD1 5.50 (# 3402:20 Single Ambig)
&rst
ixpk= 3402, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 312,2014,
igr2= 283, 284, 285,
&end
#
# 0 AMB 20-2:3403 18 ILE MD1 5.50 (# 3403:20 Single Ambig)
&rst
ixpk= 3403, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1= 314,1109,1110,1884,1885,
igr2= 283, 284, 285,
&end
#
# 0 AMB 20-2:3404 18 ILE MD1 5.50 (# 3404:20 Single Ambig)
&rst
ixpk= 3404, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2077, 338,
igr2= 283, 284, 285,
&end
#
# 138 ILE HA 18 ILE MD1 4.50 (# 3405:20 Unique 3.51, 4.76 A)
&rst
ixpk= 3405, nxpk= 20, iat=2135, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 283, 284, 285,
&end
#
# 135 GLU HA 18 ILE MD1 5.50 (# 3406:20 Unique 2.58, 3.37 A)
&rst
ixpk= 3406, nxpk= 20, iat=2093, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 283, 284, 285,
&end
#
# 0 AMB 20-2:3407 18 ILE MD1 2.80 (# 3407:20 Single Ambig)
&rst
ixpk= 3407, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=2023,2024,2025,2027,2028,2029,2081,2082,2083,2085,
2086,2087,2081,2082,2083,2085,2086,2087,
igr2= 283, 284, 285,
&end
#
# 19 GLY HA+ 18 ILE MG2 5.50 (# 3408:20 Unique 3.00, 4.17 A)
&rst
ixpk= 3408, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 291, 292,
igr2= 276, 277, 278,
&end
#
# 18 ILE HB 18 ILE MG2 2.80 (# 3409:20 Unique 2.27, 2.63 A)
&rst
ixpk= 3409, nxpk= 20, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 276, 277, 278,
&end
#
# 0 AMB 20-2:3410 18 ILE MG2 3.50 (# 3410:20 Single Ambig)
&rst
ixpk= 3410, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1852, 319, 320,2018,2019,
igr2= 276, 277, 278,
&end
#
# 63 ALA MB 18 ILE MG2 2.80 (# 3411:20 Unique 1.97, 3.75 A)
&rst
ixpk= 3411, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 969, 970, 971,
igr2= 276, 277, 278,
&end
#
# 18 ILE HG1- 18 ILE MG2 3.50 (# 3412:20 Unique 2.41, 3.10 A)
&rst
ixpk= 3412, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 280, 281,
igr2= 276, 277, 278,
&end
#
# 0 AMB 20-2:3413 18 ILE MG2 3.50 (# 3413:20 Single Ambig)
&rst
ixpk= 3413, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=1854,1855,1856,1858,1859,1860, 349, 350, 351,
igr2= 276, 277, 278,
&end
#
# 21 ARG HN 20 VAL HA 5.50 (# 3414:20 Unique 3.51, 3.53 A)
&rst
ixpk= 3414, nxpk= 20, iat= 312, 298, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 ARG HN 20 VAL HA 5.50 (# 3415:20 Unique 3.51, 3.53 A)
&rst
ixpk= 3415, nxpk= 20, iat= 312, 298, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 VAL HA 20 VAL HB 4.50 (# 3416:20 Unique 2.96, 2.97 A)
&rst
ixpk= 3416, nxpk= 20, iat= 298, 300, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:3417 0 AMB 20-1:3417 4.50 (# 3417:20 Double Ambig)
&rst
ixpk= 3417, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1884,1885, 314,1109,1110,
igr2=1854,1855,1856,1858,1859,1860, 302, 303, 304, 306,
307, 308,
&end
#
# 0 AMB 20-2:3418 0 AMB 20-1:3418 2.80 (# 3418:20 Double Ambig)
&rst
ixpk= 3418, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 168, 169, 170, 276, 277, 278,
igr2= 302, 303, 304, 306, 307, 308,1854,1855,1856,1858,
1859,1860,
&end
#
# 0 AMB 20-2:3419 20 VAL MGX 5.50 (# 3419:20 Single Ambig)
&rst
ixpk= 3419, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 325, 355,
igr2= 302, 303, 304, 306, 307, 308,
&end
#
# 11 ILE MG2 20 VAL MGX 2.80 (# 3420:20 Unique 1.96, 3.52 A)
&rst
ixpk= 3420, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 168, 169, 170,
igr2= 302, 303, 304, 306, 307, 308,
&end
#
# 0 AMB 20-2:3421 21 ARG HA 4.50 (# 3421:20 Single Ambig)
&rst
ixpk= 3421, nxpk= 20, iat= -1, 314, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=2023,2024,2025,2027,2028,2029, 168, 169, 170,
&end
#
# 21 ARG HN 21 ARG HG- 5.50 (# 3423:20 Unique 1.81, 2.67 A)
&rst
ixpk= 3423, nxpk= 20, iat= 312, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 319, 320,
&end
#
# 21 ARG HE 21 ARG HG+ 5.50 (# 3424:20 Unique 2.45, 2.86 A)
&rst
ixpk= 3424, nxpk= 20, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 319, 320,
&end
#
# 21 ARG HE 21 ARG HG- 5.50 (# 3425:20 Unique 2.45, 2.86 A)
&rst
ixpk= 3425, nxpk= 20, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 319, 320,
&end
#
# 21 ARG HD+ 21 ARG HG+ 4.50 (# 3426:20 Unique 2.25, 2.72 A)
&rst
ixpk= 3426, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 322, 323,
igr2= 319, 320,
&end
#
# 21 ARG HD- 21 ARG HG- 5.50 (# 3427:20 Unique 2.25, 2.72 A)
&rst
ixpk= 3427, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 322, 323,
igr2= 319, 320,
&end
#
# 0 AMB 20-2:3428 0 AMB 20-1:3428 4.50 (# 3428:20 Double Ambig)
&rst
ixpk= 3428, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 316, 317, 316, 317,
igr2= 319, 320, 319, 320,
&end
#
# 21 ARG HN 21 ARG HD- 5.50 (# 3429:20 Unique 2.11, 3.30 A)
&rst
ixpk= 3429, nxpk= 20, iat= 312, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 322, 323,
&end
#
# 21 ARG HN 21 ARG HD+ 5.50 (# 3430:20 Unique 2.11, 3.30 A)
&rst
ixpk= 3430, nxpk= 20, iat= 312, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 322, 323,
&end
#
# 21 ARG HE 21 ARG HD- 5.50 (# 3431:20 Unique 2.31, 2.69 A)
&rst
ixpk= 3431, nxpk= 20, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 322, 323,
&end
#
# 21 ARG HA 21 ARG HD- 3.50 (# 3433:20 Unique 2.02, 2.66 A)
&rst
ixpk= 3433, nxpk= 20, iat= 314, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 322, 323,
&end
#
# 130 LEU MDY 21 ARG HD+ 5.50 (# 3434:20 Unique 2.10, 4.87 A)
&rst
ixpk= 3434, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2023,2024,2025,2027,2028,2029,
igr2= 322, 323,
&end
#
# 20 VAL MGX 21 ARG HD+ 5.50 (# 3435:20 Unique 2.30, 5.69 A)
&rst
ixpk= 3435, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 302, 303, 304, 306, 307, 308,
igr2= 322, 323,
&end
#
# 0 AMB 20-2:3436 21 ARG HD- 5.50 (# 3436:20 Single Ambig)
&rst
ixpk= 3436, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 302, 303, 304, 306, 307, 308, 302, 303, 304, 306,
307, 308,
igr2= 322, 323,
&end
#
# 23 VAL MGY 22 ILE HB 4.50 (# 3437:20 Unique 2.87, 4.53 A)
&rst
ixpk= 3437, nxpk= 20, iat= -1, 340, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 361, 362, 363, 365, 366, 367,
&end
#
# 0 AMB 20-2:3438 22 ILE HG1- 5.50 (# 3438:20 Single Ambig)
&rst
ixpk= 3438, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2135, 298,
igr2= 346, 347,
&end
#
# 0 AMB 20-2:3439 22 ILE HG1- 5.50 (# 3439:20 Single Ambig)
&rst
ixpk= 3439, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2185,2186,2187, 947, 948, 949,
igr2= 346, 347,
&end
#
# 0 AMB 20-2:3440 22 ILE MD1 5.50 (# 3440:20 Single Ambig)
&rst
ixpk= 3440, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 953,2181,
igr2= 349, 350, 351,
&end
#
# 19 GLY HA+ 22 ILE MD1 5.50 (# 3441:20 Unique 1.99, 4.75 A)
&rst
ixpk= 3441, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 291, 292,
igr2= 349, 350, 351,
&end
#
# 22 ILE HA 22 ILE MD1 4.50 (# 3442:20 Unique 2.10, 3.59 A)
&rst
ixpk= 3442, nxpk= 20, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 349, 350, 351,
&end
#
# 0 AMB 20-2:3443 22 ILE MD1 3.50 (# 3443:20 Single Ambig)
&rst
ixpk= 3443, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 291, 292,2135,
igr2= 349, 350, 351,
&end
#
# 18 ILE HG1- 22 ILE MD1 3.50 (# 3444:20 Unique 2.54, 4.42 A)
&rst
ixpk= 3444, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 280, 281,
igr2= 349, 350, 351,
&end
#
# 0 AMB 20-2:3445 22 ILE MD1 2.80 (# 3445:20 Single Ambig)
&rst
ixpk= 3445, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=2146,2147,2148, 346, 347,1831,1832,1833,1835,1836,
1837,2200,2201,2202,2204,2205,2206,
igr2= 349, 350, 351,
&end
#
# 142 LEU HN 22 ILE MG2 5.50 (# 3447:20 Unique 3.72, 5.03 A)
&rst
ixpk= 3447, nxpk= 20, iat=2191, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 342, 343, 344,
&end
#
# 26 LEU HN 22 ILE MG2 5.50 (# 3448:20 Unique 4.08, 5.32 A)
&rst
ixpk= 3448, nxpk= 20, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 342, 343, 344,
&end
#
# 0 AMB 20-2:3449 22 ILE MG2 5.50 (# 3449:20 Single Ambig)
&rst
ixpk= 3449, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2181, 953,
igr2= 342, 343, 344,
&end
#
# 22 ILE HA 22 ILE MG2 3.50 (# 3450:20 Unique 2.45, 3.14 A)
&rst
ixpk= 3450, nxpk= 20, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 342, 343, 344,
&end
#
# 0 AMB 20-2:3451 22 ILE MG2 4.50 (# 3451:20 Single Ambig)
&rst
ixpk= 3451, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2135, 291, 292,2244,
igr2= 342, 343, 344,
&end
#
# 26 LEU HB+ 22 ILE MG2 5.50 (# 3452:20 Unique 3.01, 4.76 A)
&rst
ixpk= 3452, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 400, 401,
igr2= 342, 343, 344,
&end
#
# 0 AMB 20-2:3453 22 ILE MG2 2.80 (# 3453:20 Single Ambig)
&rst
ixpk= 3453, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1=2200,2201,2202,2204,2205,2206,2200,2201,2202,2204,
2205,2206,2248,2249,2250,2252,2253,2254, 346, 347,
361, 362, 363, 365, 366, 367,
igr2= 342, 343, 344,
&end
#
# 146 LEU MDY 22 ILE MG2 5.50 (# 3455:20 Unique 5.13, 7.97 A)
&rst
ixpk= 3455, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2267,2268,2269,2271,2272,2273,
igr2= 342, 343, 344,
&end
#
# 24 GLU HN 23 VAL HA 5.50 (# 3456:20 Unique 3.50, 3.51 A)
&rst
ixpk= 3456, nxpk= 20, iat= 371, 357, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:3457 23 VAL HB 3.50 (# 3457:20 Single Ambig)
&rst
ixpk= 3457, nxpk= 20, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 89, 90, 91, 93, 94, 95, 405, 406, 407, 409,
410, 411,
&end
#
# 24 GLU HN 23 VAL MGX 5.50 (# 3458:20 Unique 1.90, 3.75 A)
&rst
ixpk= 3458, nxpk= 20, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 361, 362, 363, 365, 366, 367,
&end
#
# 0 AMB 20-2:3459 0 AMB 20-1:3459 5.50 (# 3459:20 Double Ambig)
&rst
ixpk= 3459, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 312,1414, 396,
igr2= 361, 362, 363, 365, 366, 367,1000,1001,1002,1004,
1005,1006,
&end
#
# 8 VAL HN 23 VAL MGX 5.50 (# 3460:20 Unique 4.82, 6.28 A)
&rst
ixpk= 3460, nxpk= 20, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 361, 362, 363, 365, 366, 367,
&end
#
# 0 AMB 20-2:3461 0 AMB 20-1:3461 3.50 (# 3461:20 Double Ambig)
&rst
ixpk= 3461, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 120, 121,1443,1444,
igr2= 361, 362, 363, 365, 366, 367,1000,1001,1002,1004,
1005,1006,
&end
#
# 0 AMB 20-2:3462 0 AMB 20-1:3462 2.80 (# 3462:20 Double Ambig)
&rst
ixpk= 3462, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 359, 998, 378, 379,
igr2= 361, 362, 363, 365, 366, 367,1000,1001,1002,1004,
1005,1006,
&end
#
# 38 ILE HN 23 VAL MGY 5.50 (# 3465:20 Unique 6.29, 7.33 A)
&rst
ixpk= 3465, nxpk= 20, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 361, 362, 363, 365, 366, 367,
&end
#
# 22 ILE HN 23 VAL MGY 5.50 (# 3466:20 Unique 4.02, 5.37 A)
&rst
ixpk= 3466, nxpk= 20, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 361, 362, 363, 365, 366, 367,
&end
#
# 8 VAL HN 23 VAL MGY 5.50 (# 3467:20 Unique 4.82, 6.28 A)
&rst
ixpk= 3467, nxpk= 20, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 361, 362, 363, 365, 366, 367,
&end
#
# 6 LEU HA 23 VAL MGY 5.50 (# 3468:20 Unique 3.42, 5.22 A)
&rst
ixpk= 3468, nxpk= 20, iat= 101, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 361, 362, 363, 365, 366, 367,
&end
#
# 40 ASP HB+ 23 VAL MGY 5.50 (# 3469:20 Unique 2.11, 5.12 A)
&rst
ixpk= 3469, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 650, 651,
igr2= 361, 362, 363, 365, 366, 367,
&end
#
# 5 VAL HB 23 VAL MGY 4.50 (# 3470:20 Unique 2.05, 4.87 A)
&rst
ixpk= 3470, nxpk= 20, iat= 87, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 361, 362, 363, 365, 366, 367,
&end
#
# 0 AMB 20-2:3472 23 VAL MGY 2.80 (# 3472:20 Single Ambig)
&rst
ixpk= 3472, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1= 614, 615, 616, 302, 303, 304, 306, 307, 308, 302,
303, 304, 306, 307, 308, 621, 622, 623,2248,2249,
2250,2252,2253,2254,
igr2= 361, 362, 363, 365, 366, 367,
&end
#
# 0 AMB 20-2:3473 0 AMB 20-1:3473 2.80 (# 3473:20 Double Ambig)
&rst
ixpk= 3473, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 422, 423, 422, 423, 422, 423,
igr2= 419, 420, 419, 420, 419, 420,
&end
#
# 25 ALA HN 24 GLU HG+ 5.50 (# 3475:20 Unique 4.21, 4.51 A)
&rst
ixpk= 3475, nxpk= 20, iat= 386, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 378, 379,
&end
#
# 25 ALA HN 24 GLU HG- 5.50 (# 3476:20 Unique 4.21, 4.51 A)
&rst
ixpk= 3476, nxpk= 20, iat= 386, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 378, 379,
&end
#
# 24 GLU HB- 24 GLU HG+ 2.80 (# 3477:20 Unique 2.21, 2.65 A)
&rst
ixpk= 3477, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 375, 376,
igr2= 378, 379,
&end
#
# 24 GLU HB- 24 GLU HG- 2.80 (# 3478:20 Unique 2.21, 2.65 A)
&rst
ixpk= 3478, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 375, 376,
igr2= 378, 379,
&end
#
# 23 VAL MGY 24 GLU HG+ 5.50 (# 3479:20 Unique 2.32, 5.10 A)
&rst
ixpk= 3479, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 361, 362, 363, 365, 366, 367,
igr2= 378, 379,
&end
#
# 0 AMB 20-2:3481 0 AMB 20-1:3481 4.50 (# 3481:20 Double Ambig)
&rst
ixpk= 3481, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 302, 303, 304, 306, 307, 308, 302, 303, 304, 306,
307, 308,
igr2= 378, 379, 378, 379,
&end
#
# 23 VAL MGX 24 GLU HG+ 5.50 (# 3482:20 Unique 2.32, 5.10 A)
&rst
ixpk= 3482, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 361, 362, 363, 365, 366, 367,
igr2= 378, 379,
&end
#
# 23 VAL MGX 24 GLU HG- 5.50 (# 3483:20 Unique 2.32, 5.10 A)
&rst
ixpk= 3483, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 361, 362, 363, 365, 366, 367,
igr2= 378, 379,
&end
#
# 0 AMB 20-2:3484 101 LEU HA 3.50 (# 3484:20 Single Ambig)
&rst
ixpk= 3484, nxpk= 20, iat= -1,1558, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1563, 758, 759,
&end
#
# 0 AMB 20-2:3485 26 LEU MDY 5.50 (# 3485:20 Single Ambig)
&rst
ixpk= 3485, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
igr1= 419, 420, 419, 420, 359,
igr2= 405, 406, 407, 409, 410, 411,
&end
#
# 0 AMB 20-2:3486 26 LEU MDY 5.50 (# 3486:20 Single Ambig)
&rst
ixpk= 3486, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1= 361, 362, 363, 365, 366, 367,2301,2302,
igr2= 405, 406, 407, 409, 410, 411,
&end
#
# 146 LEU MDX 26 LEU MDY 5.50 (# 3487:20 Unique 1.98, 4.61 A)
&rst
ixpk= 3487, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=2267,2268,2269,2271,2272,2273,
igr2= 405, 406, 407, 409, 410, 411,
&end
#
# 27 GLU HN 26 LEU MDX 5.50 (# 3489:20 Unique 3.39, 5.28 A)
&rst
ixpk= 3489, nxpk= 20, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 405, 406, 407, 409, 410, 411,
&end
#
# 97 LEU HA 97 LEU MDY 3.50 (# 3490:20 Unique 1.94, 3.77 A)
&rst
ixpk= 3490, nxpk= 20, iat=1501, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1508,1509,1510,1512,1513,1514,
&end
#
# 30 TYR HB- 26 LEU MDX 5.50 (# 3491:20 Unique 1.91, 5.35 A)
&rst
ixpk= 3491, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 475, 476,
igr2= 405, 406, 407, 409, 410, 411,
&end
#
# 146 LEU MDX 26 LEU MDX 3.50 (# 3492:20 Unique 1.98, 4.61 A)
&rst
ixpk= 3492, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2267,2268,2269,2271,2272,2273,
igr2= 405, 406, 407, 409, 410, 411,
&end
#
# 146 LEU MDY 26 LEU MDX 2.80 (# 3493:20 Unique 1.98, 4.61 A)
&rst
ixpk= 3493, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=2267,2268,2269,2271,2272,2273,
igr2= 405, 406, 407, 409, 410, 411,
&end
#
# 125 GLU HA 125 GLU HG+ 3.50 (# 3494:20 Unique 2.25, 3.07 A)
&rst
ixpk= 3494, nxpk= 20, iat=1944, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1949,1950,
&end
#
# 0 AMB 20-2:3495 0 AMB 20-1:3495 2.80 (# 3495:20 Double Ambig)
&rst
ixpk= 3495, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 419, 420, 419, 420, 419, 420,
igr2= 422, 423, 422, 423, 422, 423,
&end
#
# 78 ARG HB- 80 GLU HG- 3.50 (# 3496:20 Unique 3.34, 4.79 A)
&rst
ixpk= 3496, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1204,1205,
igr2=1243,1244,
&end
#
# 0 AMB 20-2:3497 28 GLN HG- 4.50 (# 3497:20 Single Ambig)
&rst
ixpk= 3497, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 388, 373,
igr2= 437, 438,
&end
#
# 28 GLN HA 28 GLN HG+ 4.50 (# 3498:20 Unique 2.58, 3.24 A)
&rst
ixpk= 3498, nxpk= 20, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 437, 438,
&end
#
# 0 AMB 20-2:3499 0 AMB 20-1:3499 2.80 (# 3499:20 Double Ambig)
&rst
ixpk= 3499, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 434, 435, 419, 420, 419, 420,
igr2= 437, 438, 437, 438, 437, 438,
&end
#
# 28 GLN HB- 28 GLN HG- 2.80 (# 3500:20 Unique 2.21, 2.70 A)
&rst
ixpk= 3500, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 434, 435,
igr2= 437, 438,
&end
#
# 28 GLN HB+ 28 GLN HG+ 2.80 (# 3501:20 Unique 2.21, 2.70 A)
&rst
ixpk= 3501, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 434, 435,
igr2= 437, 438,
&end
#
# 28 GLN HB+ 28 GLN HG- 2.80 (# 3502:20 Unique 2.21, 2.70 A)
&rst
ixpk= 3502, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 434, 435,
igr2= 437, 438,
&end
#
# 29 ARG HG- 28 GLN HG+ 5.50 (# 3503:20 Unique 2.71, 5.23 A)
&rst
ixpk= 3503, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 454, 455,
igr2= 437, 438,
&end
#
# 29 ARG HG- 28 GLN HG- 5.50 (# 3504:20 Unique 2.71, 5.23 A)
&rst
ixpk= 3504, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 454, 455,
igr2= 437, 438,
&end
#
# 0 AMB 20-2:3505 29 ARG HA 4.50 (# 3505:20 Single Ambig)
&rst
ixpk= 3505, nxpk= 20, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 471, 430,
&end
#
# 30 TYR HD 29 ARG HA 5.50 (# 3506:20 Unique 4.26, 5.78 A)
&rst
ixpk= 3506, nxpk= 20, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 479, 488,
&end
#
# 29 ARG HD- 29 ARG HG- 5.50 (# 3507:20 Unique 2.22, 2.67 A)
&rst
ixpk= 3507, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 457, 458,
igr2= 454, 455,
&end
#
# 29 ARG HD+ 29 ARG HG- 4.50 (# 3508:20 Unique 2.22, 2.67 A)
&rst
ixpk= 3508, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 457, 458,
igr2= 454, 455,
&end
#
# 29 ARG HD+ 29 ARG HG+ 4.50 (# 3509:20 Unique 2.22, 2.67 A)
&rst
ixpk= 3509, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 457, 458,
igr2= 454, 455,
&end
#
# 29 ARG HN 29 ARG HD- 5.50 (# 3510:20 Unique 4.23, 4.84 A)
&rst
ixpk= 3510, nxpk= 20, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 457, 458,
&end
#
# 29 ARG HN 29 ARG HD+ 5.50 (# 3511:20 Unique 4.23, 4.84 A)
&rst
ixpk= 3511, nxpk= 20, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 457, 458,
&end
#
# 30 TYR HE 29 ARG HD+ 5.50 (# 3514:20 Unique 3.21, 6.34 A)
&rst
ixpk= 3514, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 481, 486,
igr2= 457, 458,
&end
#
# 29 ARG HA 29 ARG HD+ 5.50 (# 3515:20 Unique 2.08, 3.03 A)
&rst
ixpk= 3515, nxpk= 20, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 457, 458,
&end
#
# 29 ARG HA 29 ARG HD- 4.50 (# 3516:20 Unique 2.08, 3.03 A)
&rst
ixpk= 3516, nxpk= 20, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 457, 458,
&end
#
# 147 ALA HA 150 ARG HD+ 5.50 (# 3517:20 Unique 2.31, 4.18 A)
&rst
ixpk= 3517, nxpk= 20, iat=2279, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2326,2327,
&end
#
# 155 GLU HG+ 150 ARG HD+ 5.50 (# 3518:20 Unique 2.19, 5.53 A)
&rst
ixpk= 3518, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2396,2397,
igr2=2326,2327,
&end
#
# 31 ILE HN 31 ILE HG1- 5.50 (# 3520:20 Unique 2.26, 3.03 A)
&rst
ixpk= 3520, nxpk= 20, iat= 492, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 502, 503,
&end
#
# 32 LEU HN 32 LEU HB- 5.50 (# 3523:20 Unique 2.41, 3.01 A)
&rst
ixpk= 3523, nxpk= 20, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 515, 516,
&end
#
# 33 PRO HD- 32 LEU HB- 5.50 (# 3524:20 Unique 1.85, 3.35 A)
&rst
ixpk= 3524, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 531, 532,
igr2= 515, 516,
&end
#
# 33 PRO HD- 32 LEU HB+ 5.50 (# 3525:20 Unique 1.85, 3.35 A)
&rst
ixpk= 3525, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 531, 532,
igr2= 515, 516,
&end
#
# 33 PRO HD+ 32 LEU HB+ 5.50 (# 3526:20 Unique 1.85, 3.35 A)
&rst
ixpk= 3526, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 531, 532,
igr2= 515, 516,
&end
#
# 32 LEU HG 32 LEU HB- 4.50 (# 3527:20 Unique 2.35, 2.44 A)
&rst
ixpk= 3527, nxpk= 20, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 515, 516,
&end
#
# 0 AMB 20-2:3528 32 LEU HB- 2.80 (# 3528:20 Single Ambig)
&rst
ixpk= 3528, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 520, 521, 522, 524, 525, 526, 520, 521, 522, 524,
525, 526,
igr2= 515, 516,
&end
#
# 36 VAL MGX 32 LEU HB+ 3.50 (# 3529:20 Unique 2.16, 4.16 A)
&rst
ixpk= 3529, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 583, 584, 585, 587, 588, 589,
igr2= 515, 516,
&end
#
# 32 LEU MDY 32 LEU HB+ 3.50 (# 3530:20 Unique 2.17, 3.48 A)
&rst
ixpk= 3530, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 520, 521, 522, 524, 525, 526,
igr2= 515, 516,
&end
#
# 77 LEU HN 116 LEU MDX 5.50 (# 3531:20 Unique 3.80, 5.48 A)
&rst
ixpk= 3531, nxpk= 20, iat=1181, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1815,1816,1817,1819,1820,1821,
&end
#
# 0 AMB 20-2:3532 0 AMB 20-1:3532 5.50 (# 3532:20 Double Ambig)
&rst
ixpk= 3532, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.00, r4=12.50,
igr1= 471,1540,1615,1266, 430, 396,
igr2= 520, 521, 522, 524, 525, 526,1565,1566,1567,1569,
1570,1571,1815,1816,1817,1819,1820,1821,
&end
#
# 30 TYR HD 32 LEU MDX 5.50 (# 3535:20 Unique 5.18, 6.47 A)
&rst
ixpk= 3535, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 479, 488,
igr2= 520, 521, 522, 524, 525, 526,
&end
#
# 0 AMB 20-2:3536 32 LEU MDX 5.50 (# 3536:20 Single Ambig)
&rst
ixpk= 3536, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 417, 494,
igr2= 520, 521, 522, 524, 525, 526,
&end
#
# 32 LEU HB- 32 LEU MDX 2.80 (# 3537:20 Unique 2.17, 3.48 A)
&rst
ixpk= 3537, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 515, 516,
igr2= 520, 521, 522, 524, 525, 526,
&end
#
# 146 LEU MDX 32 LEU MDX 4.50 (# 3538:20 Unique 2.81, 6.16 A)
&rst
ixpk= 3538, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=2267,2268,2269,2271,2272,2273,
igr2= 520, 521, 522, 524, 525, 526,
&end
#
# 146 LEU MDY 32 LEU MDX 4.50 (# 3539:20 Unique 2.81, 6.16 A)
&rst
ixpk= 3539, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=2267,2268,2269,2271,2272,2273,
igr2= 520, 521, 522, 524, 525, 526,
&end
#
# 33 PRO HD+ 33 PRO HA 5.50 (# 3540:20 Unique 3.60, 3.85 A)
&rst
ixpk= 3540, nxpk= 20, iat= -1, 540, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 531, 532,
&end
#
# 0 AMB 20-2:3541 33 PRO HA 4.50 (# 3541:20 Single Ambig)
&rst
ixpk= 3541, nxpk= 20, iat= -1, 540, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 548, 549, 548, 549,
&end
#
# 33 PRO HG+ 33 PRO HA 4.50 (# 3542:20 Unique 3.85, 3.94 A)
&rst
ixpk= 3542, nxpk= 20, iat= -1, 540, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 534, 535,
&end
#
# 33 PRO HG- 33 PRO HB+ 3.50 (# 3543:20 Unique 2.32, 2.58 A)
&rst
ixpk= 3543, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 534, 535,
igr2= 537, 538,
&end
#
# 32 LEU HA 33 PRO HG- 5.50 (# 3544:20 Unique 4.48, 4.52 A)
&rst
ixpk= 3544, nxpk= 20, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 534, 535,
&end
#
# 33 PRO HB+ 33 PRO HD+ 5.50 (# 3545:20 Unique 2.98, 3.70 A)
&rst
ixpk= 3545, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 537, 538,
igr2= 531, 532,
&end
#
# 0 AMB 20-2:3546 33 PRO HD- 4.50 (# 3546:20 Single Ambig)
&rst
ixpk= 3546, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03,
igr1=2379,2380,2381,2383,2384,2385, 537, 538,2427,2428,
2429,
igr2= 531, 532,
&end
#
# 33 PRO HA 34 ASP HB+ 5.50 (# 3547:20 Unique 4.51, 5.41 A)
&rst
ixpk= 3547, nxpk= 20, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 548, 549,
&end
#
# 33 PRO HA 34 ASP HB- 5.50 (# 3548:20 Unique 4.51, 5.41 A)
&rst
ixpk= 3548, nxpk= 20, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 548, 549,
&end
#
# 35 TYR HN 34 ASP HB+ 5.50 (# 3549:20 Unique 2.31, 2.91 A)
&rst
ixpk= 3549, nxpk= 20, iat= 556, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 548, 549,
&end
#
# 35 TYR HN 34 ASP HB- 5.50 (# 3550:20 Unique 2.31, 2.91 A)
&rst
ixpk= 3550, nxpk= 20, iat= 556, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 548, 549,
&end
#
# 35 TYR HN 36 VAL MGY 5.50 (# 3552:20 Unique 4.52, 6.29 A)
&rst
ixpk= 3552, nxpk= 20, iat= 556, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 583, 584, 585, 587, 588, 589,
&end
#
# 3 ILE HB 36 VAL MGY 2.80 (# 3553:20 Unique 1.96, 3.19 A)
&rst
ixpk= 3553, nxpk= 20, iat= 49, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 583, 584, 585, 587, 588, 589,
&end
#
# 33 PRO HG+ 36 VAL MGY 2.80 (# 3554:20 Unique 1.96, 4.04 A)
&rst
ixpk= 3554, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 534, 535,
igr2= 583, 584, 585, 587, 588, 589,
&end
#
# 3 ILE MD1 36 VAL MGY 2.80 (# 3555:20 Unique 1.95, 4.71 A)
&rst
ixpk= 3555, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 58, 59, 60,
igr2= 583, 584, 585, 587, 588, 589,
&end
#
# 59 ILE MD1 36 VAL MGY 4.50 (# 3557:20 Unique 4.25, 6.73 A)
&rst
ixpk= 3557, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 918, 919, 920,
igr2= 583, 584, 585, 587, 588, 589,
&end
#
# 5 VAL HN 36 VAL MGX 5.50 (# 3559:20 Unique 3.82, 6.19 A)
&rst
ixpk= 3559, nxpk= 20, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 583, 584, 585, 587, 588, 589,
&end
#
# 3 ILE HB 36 VAL MGX 2.80 (# 3560:20 Unique 1.96, 3.19 A)
&rst
ixpk= 3560, nxpk= 20, iat= 49, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 583, 584, 585, 587, 588, 589,
&end
#
# 37 GLU HN 37 GLU HG+ 4.50 (# 3562:20 Unique 2.55, 3.59 A)
&rst
ixpk= 3562, nxpk= 20, iat= 593, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 600, 601,
&end
#
# 0 AMB 20-2:3563 0 AMB 20-1:3563 2.80 (# 3563:20 Double Ambig)
&rst
ixpk= 3563, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 597, 598, 597, 598,
igr2= 600, 601, 600, 601,
&end
#
# 0 AMB 20-2:3564 37 GLU HG- 2.80 (# 3564:20 Single Ambig)
&rst
ixpk= 3564, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 597, 598, 597, 598,
igr2= 600, 601,
&end
#
# 4 LEU MDX 37 GLU HG- 4.50 (# 3565:20 Unique 2.25, 4.80 A)
&rst
ixpk= 3565, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 73, 74, 75, 77, 78, 79,
igr2= 600, 601,
&end
#
# 0 AMB 20-2:3566 26 LEU MDY 5.50 (# 3566:20 Single Ambig)
&rst
ixpk= 3566, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2242, 608,
igr2= 405, 406, 407, 409, 410, 411,
&end
#
# 38 ILE HN 38 ILE MD1 5.50 (# 3569:20 Unique 1.91, 2.96 A)
&rst
ixpk= 3569, nxpk= 20, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 621, 622, 623,
&end
#
# 0 AMB 20-2:3570 38 ILE MD1 5.50 (# 3570:20 Single Ambig)
&rst
ixpk= 3570, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 430, 396,
igr2= 621, 622, 623,
&end
#
# 0 AMB 20-2:3571 38 ILE MD1 4.50 (# 3571:20 Single Ambig)
&rst
ixpk= 3571, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 422, 423, 422, 423,
igr2= 621, 622, 623,
&end
#
# 0 AMB 20-2:3572 38 ILE MD1 3.50 (# 3572:20 Single Ambig)
&rst
ixpk= 3572, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 419, 420, 419, 420,
igr2= 621, 622, 623,
&end
#
# 5 VAL HN 38 ILE MG2 5.50 (# 3574:20 Unique 3.42, 4.79 A)
&rst
ixpk= 3574, nxpk= 20, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 614, 615, 616,
&end
#
# 27 GLU HN 38 ILE MG2 5.50 (# 3575:20 Unique 3.11, 4.33 A)
&rst
ixpk= 3575, nxpk= 20, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 614, 615, 616,
&end
#
# 0 AMB 20-2:3576 38 ILE MG2 2.80 (# 3576:20 Single Ambig)
&rst
ixpk= 3576, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 359, 419, 420, 419, 420,
igr2= 614, 615, 616,
&end
#
# 0 AMB 20-2:3579 0 AMB 20-1:3579 2.80 (# 3579:20 Double Ambig)
&rst
ixpk= 3579, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1399,2418,
igr2=1405,1406,2424,2425,
&end
#
# 0 AMB 20-2:3582 0 AMB 20-1:3582 2.80 (# 3582:20 Double Ambig)
&rst
ixpk= 3582, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 108, 109, 110, 112, 113, 114,1401,1402,1403,2427,
2428,2429,1408,1409,1410, 636, 637, 638, 640, 641,
642,
igr2= 634,1405,1406,2424,2425,
&end
#
# 41 GLY HA- 39 LEU MDY 5.50 (# 3584:20 Unique 3.18, 5.57 A)
&rst
ixpk= 3584, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 660, 661,
igr2= 636, 637, 638, 640, 641, 642,
&end
#
# 0 AMB 20-2:3585 39 LEU MDY 5.50 (# 3585:20 Single Ambig)
&rst
ixpk= 3585, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 600, 601, 724, 725, 359, 129,
igr2= 636, 637, 638, 640, 641, 642,
&end
#
# 0 AMB 20-2:3586 39 LEU MDY 4.50 (# 3586:20 Single Ambig)
&rst
ixpk= 3586, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 597, 598, 597, 598, 103, 104,
igr2= 636, 637, 638, 640, 641, 642,
&end
#
# 39 LEU HB+ 39 LEU MDY 2.80 (# 3587:20 Unique 2.18, 3.48 A)
&rst
ixpk= 3587, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 631, 632,
igr2= 636, 637, 638, 640, 641, 642,
&end
#
# 11 ILE HN 43 THR MG2 5.50 (# 3588:20 Unique 1.91, 2.73 A)
&rst
ixpk= 3588, nxpk= 20, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 678, 679, 680,
&end
#
# 11 ILE HB 43 THR MG2 4.50 (# 3589:20 Unique 5.04, 5.79 A)
&rst
ixpk= 3589, nxpk= 20, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 678, 679, 680,
&end
#
# 47 GLU HB- 0 AMB 20-1:3590 2.80 (# 3590:20 Single Ambig)
&rst
ixpk= 3590, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 724, 725,
igr2= 727, 728, 727, 728,
&end
#
# 44 ALA MB 0 AMB 20-1:3591 4.50 (# 3591:20 Single Ambig)
&rst
ixpk= 3591, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 690, 691, 692,
igr2= 727, 728, 727, 728,
&end
#
# 0 AMB 20-2:3592 0 AMB 20-1:3592 4.50 (# 3592:20 Double Ambig)
&rst
ixpk= 3592, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1204,1205, 742, 761,
igr2=1243,1244, 727, 728, 727, 728,
&end
#
# 0 AMB 20-2:3593 0 AMB 20-1:3593 4.50 (# 3593:20 Double Ambig)
&rst
ixpk= 3593, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1266, 141, 792,1540,
igr2=1815,1816,1817,1819,1820,1821, 744, 745, 746, 748,
749, 750,
&end
#
# 41 GLY HA- 48 LEU MDY 5.50 (# 3594:20 Unique 1.99, 4.61 A)
&rst
ixpk= 3594, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 660, 661,
igr2= 744, 745, 746, 748, 749, 750,
&end
#
# 49 LEU HN 48 LEU MDX 5.50 (# 3595:20 Unique 3.97, 5.18 A)
&rst
ixpk= 3595, nxpk= 20, iat= 754, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 744, 745, 746, 748, 749, 750,
&end
#
# 41 GLY HA- 48 LEU MDX 3.50 (# 3596:20 Unique 1.99, 4.61 A)
&rst
ixpk= 3596, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 660, 661,
igr2= 744, 745, 746, 748, 749, 750,
&end
#
# 0 AMB 20-2:3597 49 LEU HA 3.50 (# 3597:20 Single Ambig)
&rst
ixpk= 3597, nxpk= 20, iat= -1, 756, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 763, 764, 765, 767, 768, 769, 744, 745, 746, 748,
749, 750, 744, 745, 746, 748, 749, 750,
&end
#
# 0 AMB 20-2:3600 51 ASP HA 5.50 (# 3600:20 Single Ambig)
&rst
ixpk= 3600, nxpk= 20, iat= -1, 782, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 775, 776, 775, 776, 794,
&end
#
# 0 AMB 20-2:3601 0 AMB 20-1:3601 3.50 (# 3601:20 Double Ambig)
&rst
ixpk= 3601, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 796, 797, 803, 804, 805,
igr2= 799, 800, 799, 800,
&end
#
# 48 LEU HB- 52 MET HG+ 4.50 (# 3603:20 Unique 2.65, 3.97 A)
&rst
ixpk= 3603, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 739, 740,
igr2= 799, 800,
&end
#
# 55 ARG HD+ 55 ARG HB+ 5.50 (# 3604:20 Unique 1.94, 3.33 A)
&rst
ixpk= 3604, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 843, 844,
igr2= 837, 838,
&end
#
# 0 AMB 20-2:3605 0 AMB 20-1:3605 2.80 (# 3605:20 Double Ambig)
&rst
ixpk= 3605, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=2146,2147,2148, 283, 284, 285,
igr2=2143,2144,2143,2144,
&end
#
# 138 ILE HA 138 ILE HG1+ 4.50 (# 3607:20 Unique 2.32, 3.14 A)
&rst
ixpk= 3607, nxpk= 20, iat=2135, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2143,2144,
&end
#
# 55 ARG HA 55 ARG HG+ 5.50 (# 3609:20 Unique 2.04, 3.31 A)
&rst
ixpk= 3609, nxpk= 20, iat= 835, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 840, 841,
&end
#
# 0 AMB 20-2:3610 0 AMB 20-1:3610 5.50 (# 3610:20 Double Ambig)
&rst
ixpk= 3610, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1719,1720, 840, 841,
igr2= 890, 891, 890, 891,
&end
#
# 0 AMB 20-2:3611 0 AMB 20-1:3611 4.50 (# 3611:20 Double Ambig)
&rst
ixpk= 3611, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 893, 837, 838,
igr2= 890, 891, 890, 891,
&end
#
# 0 AMB 20-2:3612 0 AMB 20-1:3612 4.50 (# 3612:20 Double Ambig)
&rst
ixpk= 3612, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 840, 841,1722,1723,
igr2= 890, 891, 890, 891,
&end
#
# 58 LEU HN 0 AMB 20-1:3613 5.50 (# 3613:20 Single Ambig)
&rst
ixpk= 3613, nxpk= 20, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 893,1780,
&end
#
# 114 LEU HA 0 AMB 20-1:3614 5.50 (# 3614:20 Single Ambig)
&rst
ixpk= 3614, nxpk= 20, iat=1775, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1780, 893,
&end
#
# 0 AMB 20-2:3615 0 AMB 20-1:3615 2.80 (# 3615:20 Double Ambig)
&rst
ixpk= 3615, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1777,1778, 103, 104,
igr2=1780, 893,
&end
#
# 58 LEU HB- 58 LEU HG 3.50 (# 3616:20 Unique 2.38, 2.80 A)
&rst
ixpk= 3616, nxpk= 20, iat= -1, 893, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 890, 891,
&end
#
# 0 AMB 20-2:3617 0 AMB 20-1:3617 2.80 (# 3617:20 Double Ambig)
&rst
ixpk= 3617, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 895, 896, 897, 899, 900, 901,1782,1783,1784,1786,
1787,1788,1782,1783,1784,1786,1787,1788, 934, 935,
108, 109, 110, 112, 113, 114,
igr2= 893,1780,
&end
#
# 58 LEU HN 58 LEU MDY 5.50 (# 3618:20 Unique 3.95, 5.38 A)
&rst
ixpk= 3618, nxpk= 20, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 52 MET HA 58 LEU MDY 5.50 (# 3619:20 Unique 1.90, 3.51 A)
&rst
ixpk= 3619, nxpk= 20, iat= 794, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 58 LEU HB- 58 LEU MDY 2.80 (# 3620:20 Unique 1.93, 3.23 A)
&rst
ixpk= 3620, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 890, 891,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 58 LEU HA 59 ILE HB 5.50 (# 3621:20 Unique 4.63, 4.80 A)
&rst
ixpk= 3621, nxpk= 20, iat= 888, 909, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 ILE HG1+ 59 ILE HB 5.50 (# 3622:20 Unique 2.41, 2.79 A)
&rst
ixpk= 3622, nxpk= 20, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 915, 916,
&end
#
# 59 ILE HN 59 ILE HG1- 5.50 (# 3623:20 Unique 2.10, 3.44 A)
&rst
ixpk= 3623, nxpk= 20, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 915, 916,
&end
#
# 59 ILE HN 59 ILE HG1+ 5.50 (# 3624:20 Unique 2.10, 3.44 A)
&rst
ixpk= 3624, nxpk= 20, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 915, 916,
&end
#
# 115 THR HG1 59 ILE HG1- 5.50 (# 3625:20 Unique 2.77, 3.66 A)
&rst
ixpk= 3625, nxpk= 20, iat=1802, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 915, 916,
&end
#
# 115 THR HB 59 ILE HG1- 5.50 (# 3626:20 Unique 2.88, 3.69 A)
&rst
ixpk= 3626, nxpk= 20, iat=1796, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 915, 916,
&end
#
# 59 ILE HB 59 ILE HG1- 2.80 (# 3627:20 Unique 2.41, 2.79 A)
&rst
ixpk= 3627, nxpk= 20, iat= 909, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 915, 916,
&end
#
# 59 ILE MG2 59 ILE HG1- 3.50 (# 3628:20 Unique 1.96, 3.33 A)
&rst
ixpk= 3628, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 911, 912, 913,
igr2= 915, 916,
&end
#
# 59 ILE MD1 59 ILE HG1- 2.80 (# 3629:20 Unique 2.21, 2.62 A)
&rst
ixpk= 3629, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 918, 919, 920,
igr2= 915, 916,
&end
#
# 145 VAL HA 59 ILE MD1 5.50 (# 3630:20 Unique 2.85, 4.73 A)
&rst
ixpk= 3630, nxpk= 20, iat=2244, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 918, 919, 920,
&end
#
# 5 VAL HB 59 ILE MD1 5.50 (# 3631:20 Unique 2.71, 4.77 A)
&rst
ixpk= 3631, nxpk= 20, iat= 87, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 918, 919, 920,
&end
#
# 59 ILE MG2 59 ILE MD1 2.80 (# 3632:20 Unique 1.99, 4.09 A)
&rst
ixpk= 3632, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 911, 912, 913,
igr2= 918, 919, 920,
&end
#
# 59 ILE HG1+ 59 ILE MD1 2.80 (# 3633:20 Unique 2.21, 2.62 A)
&rst
ixpk= 3633, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 915, 916,
igr2= 918, 919, 920,
&end
#
# 0 AMB 20-2:3635 59 ILE MG2 5.50 (# 3635:20 Single Ambig)
&rst
ixpk= 3635, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1806, 99,
igr2= 911, 912, 913,
&end
#
# 116 LEU HA 59 ILE MG2 5.50 (# 3636:20 Unique 3.62, 4.89 A)
&rst
ixpk= 3636, nxpk= 20, iat=1808, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 911, 912, 913,
&end
#
# 60 ILE HA 59 ILE MG2 5.50 (# 3637:20 Unique 4.63, 5.42 A)
&rst
ixpk= 3637, nxpk= 20, iat= 926, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 911, 912, 913,
&end
#
# 145 VAL HA 59 ILE MG2 4.50 (# 3638:20 Unique 1.98, 3.19 A)
&rst
ixpk= 3638, nxpk= 20, iat=2244, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 911, 912, 913,
&end
#
# 0 AMB 20-2:3639 59 ILE MG2 3.50 (# 3639:20 Single Ambig)
&rst
ixpk= 3639, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1798,1799,1800,2301,2302,
igr2= 911, 912, 913,
&end
#
# 59 ILE HG1+ 59 ILE MG2 3.50 (# 3640:20 Unique 1.96, 3.33 A)
&rst
ixpk= 3640, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 915, 916,
igr2= 911, 912, 913,
&end
#
# 59 ILE MD1 59 ILE MG2 2.80 (# 3641:20 Unique 1.99, 4.09 A)
&rst
ixpk= 3641, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 918, 919, 920,
igr2= 911, 912, 913,
&end
#
# 85 LEU MDY 85 LEU HB+ 2.80 (# 3642:20 Unique 2.07, 3.47 A)
&rst
ixpk= 3642, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1315,1316,1317,1319,1320,1321,
igr2=1310,1311,
&end
#
# 116 LEU HB- 60 ILE HB 4.50 (# 3643:20 Unique 2.28, 3.29 A)
&rst
ixpk= 3643, nxpk= 20, iat= -1, 928, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1810,1811,
&end
#
# 60 ILE HN 60 ILE HG1+ 5.50 (# 3644:20 Unique 2.42, 3.33 A)
&rst
ixpk= 3644, nxpk= 20, iat= 924, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 934, 935,
&end
#
# 60 ILE HA 60 ILE HG1- 5.50 (# 3645:20 Unique 2.46, 2.73 A)
&rst
ixpk= 3645, nxpk= 20, iat= 926, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 934, 935,
&end
#
# 60 ILE HA 60 ILE HG1+ 4.50 (# 3646:20 Unique 2.46, 2.73 A)
&rst
ixpk= 3646, nxpk= 20, iat= 926, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 934, 935,
&end
#
# 116 LEU HA 60 ILE MD1 5.50 (# 3647:20 Unique 3.87, 5.00 A)
&rst
ixpk= 3647, nxpk= 20, iat=1808, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 937, 938, 939,
&end
#
# 61 ALA HA 60 ILE MG2 5.50 (# 3648:20 Unique 3.45, 4.55 A)
&rst
ixpk= 3648, nxpk= 20, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 930, 931, 932,
&end
#
# 22 ILE HG1+ 61 ALA MB 3.50 (# 3649:20 Unique 1.99, 3.63 A)
&rst
ixpk= 3649, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 346, 347,
igr2= 947, 948, 949,
&end
#
# 0 AMB 20-2:3650 62 ASP HA 5.50 (# 3650:20 Single Ambig)
&rst
ixpk= 3650, nxpk= 20, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1854,1855,1856,1858,1859,1860,1815,1816,1817,1819,
1820,1821, 302, 303, 304, 306, 307, 308, 302, 303,
304, 306, 307, 308,
&end
#
# 18 ILE MG2 62 ASP HA 5.50 (# 3651:20 Unique 3.49, 4.43 A)
&rst
ixpk= 3651, nxpk= 20, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 276, 277, 278,
&end
#
# 0 AMB 20-2:3652 63 ALA MB 2.80 (# 3652:20 Single Ambig)
&rst
ixpk= 3652, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1000,1001,1002,1004,1005,1006,1000,1001,1002,1004,
1005,1006,
igr2= 969, 970, 971,
&end
#
# 64 ILE HG1+ 64 ILE HB 2.80 (# 3653:20 Unique 2.51, 2.84 A)
&rst
ixpk= 3653, nxpk= 20, iat= -1, 979, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 985, 986,
&end
#
# 64 ILE HN 64 ILE HG1- 5.50 (# 3654:20 Unique 2.37, 3.32 A)
&rst
ixpk= 3654, nxpk= 20, iat= 975, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 985, 986,
&end
#
# 118 GLY HA+ 64 ILE HG1- 5.50 (# 3655:20 Unique 2.15, 3.32 A)
&rst
ixpk= 3655, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1843,1844,
igr2= 985, 986,
&end
#
# 118 GLY HA+ 64 ILE HG1+ 5.50 (# 3656:20 Unique 2.15, 3.32 A)
&rst
ixpk= 3656, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1843,1844,
igr2= 985, 986,
&end
#
# 64 ILE HA 64 ILE HG1- 5.50 (# 3657:20 Unique 2.18, 2.78 A)
&rst
ixpk= 3657, nxpk= 20, iat= 977, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 985, 986,
&end
#
# 64 ILE HA 64 ILE HG1+ 5.50 (# 3658:20 Unique 2.18, 2.78 A)
&rst
ixpk= 3658, nxpk= 20, iat= 977, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 985, 986,
&end
#
# 118 GLY HA- 64 ILE HG1+ 5.50 (# 3659:20 Unique 2.15, 3.32 A)
&rst
ixpk= 3659, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1843,1844,
igr2= 985, 986,
&end
#
# 118 GLY HA- 64 ILE HG1- 5.50 (# 3660:20 Unique 2.15, 3.32 A)
&rst
ixpk= 3660, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1843,1844,
igr2= 985, 986,
&end
#
# 0 AMB 20-2:3661 0 AMB 20-1:3661 3.50 (# 3661:20 Double Ambig)
&rst
ixpk= 3661, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1619,1620,1156,1157,1158,
igr2=1622,1623, 985, 986,
&end
#
# 75 MET HN 64 ILE MD1 5.50 (# 3663:20 Unique 3.79, 4.77 A)
&rst
ixpk= 3663, nxpk= 20, iat=1145, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 988, 989, 990,
&end
#
# 118 GLY HA- 64 ILE MD1 3.50 (# 3664:20 Unique 1.94, 3.41 A)
&rst
ixpk= 3664, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1843,1844,
igr2= 988, 989, 990,
&end
#
# 75 MET HG- 64 ILE MD1 5.50 (# 3665:20 Unique 4.23, 5.35 A)
&rst
ixpk= 3665, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1152,1153,
igr2= 988, 989, 990,
&end
#
# 75 MET HG+ 64 ILE MD1 5.50 (# 3666:20 Unique 4.23, 5.35 A)
&rst
ixpk= 3666, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1152,1153,
igr2= 988, 989, 990,
&end
#
# 0 AMB 20-2:3667 64 ILE MD1 3.50 (# 3667:20 Single Ambig)
&rst
ixpk= 3667, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1156,1157,1158,1149,1150,
igr2= 988, 989, 990,
&end
#
# 0 AMB 20-2:3668 64 ILE MD1 2.80 (# 3668:20 Single Ambig)
&rst
ixpk= 3668, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 979,1149,1150,
igr2= 988, 989, 990,
&end
#
# 64 ILE HG1+ 64 ILE MD1 2.80 (# 3669:20 Unique 2.32, 2.62 A)
&rst
ixpk= 3669, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 985, 986,
igr2= 988, 989, 990,
&end
#
# 64 ILE HG1- 64 ILE MD1 2.80 (# 3670:20 Unique 2.32, 2.62 A)
&rst
ixpk= 3670, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 985, 986,
igr2= 988, 989, 990,
&end
#
# 0 AMB 20-2:3672 64 ILE MG2 5.50 (# 3672:20 Single Ambig)
&rst
ixpk= 3672, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1866, 967,
igr2= 981, 982, 983,
&end
#
# 0 AMB 20-2:3673 0 AMB 20-1:3673 5.50 (# 3673:20 Double Ambig)
&rst
ixpk= 3673, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 828, 829,1695,
igr2=1684,1685,1684,1685,
&end
#
# 0 AMB 20-2:3675 65 VAL MGX 5.50 (# 3675:20 Single Ambig)
&rst
ixpk= 3675, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1866, 235,
igr2=1000,1001,1002,1004,1005,1006,
&end
#
# 66 SER HA 65 VAL MGX 5.50 (# 3676:20 Unique 3.91, 6.16 A)
&rst
ixpk= 3676, nxpk= 20, iat=1012, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1000,1001,1002,1004,1005,1006,
&end
#
# 91 SER HN 65 VAL MGY 5.50 (# 3677:20 Unique 5.04, 8.24 A)
&rst
ixpk= 3677, nxpk= 20, iat=1414, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1000,1001,1002,1004,1005,1006,
&end
#
# 0 AMB 20-2:3678 65 VAL MGY 5.50 (# 3678:20 Single Ambig)
&rst
ixpk= 3678, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1866, 235,
igr2=1000,1001,1002,1004,1005,1006,
&end
#
# 0 AMB 20-2:3679 65 VAL MGY 5.50 (# 3679:20 Single Ambig)
&rst
ixpk= 3679, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1014,1015, 247,
igr2=1000,1001,1002,1004,1005,1006,
&end
#
# 0 AMB 20-2:3680 65 VAL MGY 3.50 (# 3680:20 Single Ambig)
&rst
ixpk= 3680, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1887,1888,1890,1891,
igr2=1000,1001,1002,1004,1005,1006,
&end
#
# 70 THR HN 70 THR HA 5.50 (# 3681:20 Unique 2.28, 2.66 A)
&rst
ixpk= 3681, nxpk= 20, iat=1079,1081, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:3682 70 THR HA 5.50 (# 3682:20 Single Ambig)
&rst
ixpk= 3682, nxpk= 20, iat= -1,1081, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1100,1101,1025,1026,
&end
#
# 70 THR HA 70 THR HB 3.50 (# 3684:20 Unique 2.88, 3.00 A)
&rst
ixpk= 3684, nxpk= 20, iat=1081,1083, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 71 PRO HD+ 70 THR HB 3.50 (# 3685:20 Unique 3.80, 4.39 A)
&rst
ixpk= 3685, nxpk= 20, iat= -1,1083, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1094,1095,
&end
#
# 73 THR MG2 70 THR HB 3.50 (# 3686:20 Unique 3.71, 4.64 A)
&rst
ixpk= 3686, nxpk= 20, iat= -1,1083, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1120,1121,1122,
&end
#
# 0 AMB 20-2:3688 71 PRO HA 3.50 (# 3688:20 Single Ambig)
&rst
ixpk= 3688, nxpk= 20, iat= -1,1103, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1094,1095,1884,1885,1109,1110,
&end
#
# 71 PRO HG+ 71 PRO HA 5.50 (# 3690:20 Unique 3.85, 3.94 A)
&rst
ixpk= 3690, nxpk= 20, iat= -1,1103, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1097,1098,
&end
#
# 0 AMB 20-2:3692 0 AMB 20-1:3692 5.50 (# 3692:20 Double Ambig)
&rst
ixpk= 3692, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1103,2065,
igr2=1097,1098,1097,1098,
&end
#
# 133 THR MG2 71 PRO HG+ 5.50 (# 3694:20 Unique 3.07, 5.40 A)
&rst
ixpk= 3694, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2067,2068,2069,
igr2=1097,1098,
&end
#
# 0 AMB 20-2:3697 73 THR HB 5.50 (# 3697:20 Single Ambig)
&rst
ixpk= 3697, nxpk= 20, iat= -1,1118, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1079,1864,
&end
#
# 88 ASN HN 87 THR MG2 5.50 (# 3698:20 Unique 3.87, 4.85 A)
&rst
ixpk= 3698, nxpk= 20, iat=1359, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1351,1352,1353,
&end
#
# 86 PHE HN 87 THR MG2 5.50 (# 3699:20 Unique 3.60, 4.82 A)
&rst
ixpk= 3699, nxpk= 20, iat=1325, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1351,1352,1353,
&end
#
# 83 PRO HB- 87 THR MG2 5.50 (# 3702:20 Unique 4.76, 5.86 A)
&rst
ixpk= 3702, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1289,1290,
igr2=1351,1352,1353,
&end
#
# 119 VAL MGX 74 MET HB- 4.50 (# 3704:20 Unique 3.83, 6.22 A)
&rst
ixpk= 3704, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1854,1855,1856,1858,1859,1860,
igr2=1132,1133,
&end
#
# 0 AMB 20-2:3705 74 MET HB- 5.50 (# 3705:20 Single Ambig)
&rst
ixpk= 3705, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1831,1832,1833,1835,1836,1837,1175,1176,1177,
igr2=1132,1133,
&end
#
# 74 MET HB+ 74 MET HG- 2.80 (# 3706:20 Unique 2.23, 2.68 A)
&rst
ixpk= 3706, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1132,1133,
igr2=1135,1136,
&end
#
# 74 MET ME 74 MET HG+ 2.80 (# 3707:20 Unique 2.07, 3.55 A)
&rst
ixpk= 3707, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1139,1140,1141,
igr2=1135,1136,
&end
#
# 74 MET HB- 74 MET HG+ 3.50 (# 3708:20 Unique 2.23, 2.68 A)
&rst
ixpk= 3708, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1132,1133,
igr2=1135,1136,
&end
#
# 74 MET HB- 74 MET HG- 3.50 (# 3709:20 Unique 2.23, 2.68 A)
&rst
ixpk= 3709, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1132,1133,
igr2=1135,1136,
&end
#
# 74 MET ME 74 MET HG- 3.50 (# 3710:20 Unique 2.07, 3.55 A)
&rst
ixpk= 3710, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1139,1140,1141,
igr2=1135,1136,
&end
#
# 0 AMB 20-2:3711 0 AMB 20-1:3711 5.50 (# 3711:20 Double Ambig)
&rst
ixpk= 3711, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1172,1173,1172,1173,
igr2=1135,1136,1135,1136,
&end
#
# 0 AMB 20-2:3712 74 MET HG- 5.50 (# 3712:20 Single Ambig)
&rst
ixpk= 3712, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1172,1173,1172,1173,
igr2=1135,1136,
&end
#
# 117 VAL MGY 74 MET HG- 2.80 (# 3713:20 Unique 2.07, 3.98 A)
&rst
ixpk= 3713, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1831,1832,1833,1835,1836,1837,
igr2=1135,1136,
&end
#
# 0 AMB 20-2:3714 74 MET HG- 3.50 (# 3714:20 Single Ambig)
&rst
ixpk= 3714, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1831,1832,1833,1835,1836,1837,1175,1176,1177,
igr2=1135,1136,
&end
#
# 0 AMB 20-2:3715 75 MET HB- 3.50 (# 3715:20 Single Ambig)
&rst
ixpk= 3715, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1190,1191,1192,1194,1195,1196,1190,1191,1192,1194,
1195,1196,
igr2=1149,1150,
&end
#
# 64 ILE MD1 75 MET HB- 2.80 (# 3716:20 Unique 2.37, 3.72 A)
&rst
ixpk= 3716, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 988, 989, 990,
igr2=1149,1150,
&end
#
# 75 MET HN 75 MET HG+ 5.50 (# 3717:20 Unique 4.00, 4.37 A)
&rst
ixpk= 3717, nxpk= 20, iat=1145, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1152,1153,
&end
#
# 75 MET HN 75 MET HG- 5.50 (# 3718:20 Unique 4.00, 4.37 A)
&rst
ixpk= 3718, nxpk= 20, iat=1145, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1152,1153,
&end
#
# 76 ILE HN 75 MET HG- 5.50 (# 3719:20 Unique 2.54, 3.83 A)
&rst
ixpk= 3719, nxpk= 20, iat=1162, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1152,1153,
&end
#
# 76 ILE HN 75 MET HG+ 5.50 (# 3720:20 Unique 2.54, 3.83 A)
&rst
ixpk= 3720, nxpk= 20, iat=1162, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1152,1153,
&end
#
# 0 AMB 20-2:3721 75 MET HG- 2.80 (# 3721:20 Single Ambig)
&rst
ixpk= 3721, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1=1149,1150,1156,1157,1158,
igr2=1152,1153,
&end
#
# 75 MET HB- 75 MET HG+ 2.80 (# 3722:20 Unique 2.29, 2.72 A)
&rst
ixpk= 3722, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1149,1150,
igr2=1152,1153,
&end
#
# 75 MET HB- 75 MET HG- 3.50 (# 3723:20 Unique 2.29, 2.72 A)
&rst
ixpk= 3723, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1149,1150,
igr2=1152,1153,
&end
#
# 75 MET HA 0 AMB 20-1:3724 5.50 (# 3724:20 Single Ambig)
&rst
ixpk= 3724, nxpk= 20, iat=1147, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1172,1173,1172,1173,
&end
#
# 0 AMB 20-2:3725 0 AMB 20-1:3725 4.50 (# 3725:20 Double Ambig)
&rst
ixpk= 3725, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.00, r4= 9.50,
igr1=1135,1136,1135,1136,2229,2230,1152,1153,
igr2=1172,1173,1172,1173,1172,1173,1172,1173,
&end
#
# 0 AMB 20-2:3726 0 AMB 20-1:3726 5.50 (# 3726:20 Double Ambig)
&rst
ixpk= 3726, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=2232,2233,1135,1136,
igr2=1172,1173,1172,1173,1172,1173,
&end
#
# 0 AMB 20-2:3727 0 AMB 20-1:3727 2.80 (# 3727:20 Double Ambig)
&rst
ixpk= 3727, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1166,1139,1140,1141,
igr2=1172,1173,1172,1173,1172,1173,
&end
#
# 0 AMB 20-2:3728 0 AMB 20-1:3728 2.80 (# 3728:20 Double Ambig)
&rst
ixpk= 3728, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 505, 506, 507, 498, 499, 500,
igr2= 502, 503, 502, 503,
&end
#
# 144 GLN HG+ 76 ILE MD1 4.50 (# 3729:20 Unique 1.94, 3.04 A)
&rst
ixpk= 3729, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2232,2233,
igr2=1175,1176,1177,
&end
#
# 0 AMB 20-2:3730 76 ILE MD1 3.50 (# 3730:20 Single Ambig)
&rst
ixpk= 3730, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2232,2233,1135,1136,
igr2=1175,1176,1177,
&end
#
# 0 AMB 20-2:3731 76 ILE MD1 2.80 (# 3731:20 Single Ambig)
&rst
ixpk= 3731, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2229,2230,1135,1136,
igr2=1175,1176,1177,
&end
#
# 74 MET ME 76 ILE MD1 2.80 (# 3732:20 Unique 2.00, 4.03 A)
&rst
ixpk= 3732, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1139,1140,1141,
igr2=1175,1176,1177,
&end
#
# 0 AMB 20-2:3733 76 ILE MD1 2.80 (# 3733:20 Single Ambig)
&rst
ixpk= 3733, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1172,1173,1172,1173,
igr2=1175,1176,1177,
&end
#
# 116 LEU HN 76 ILE MG2 5.50 (# 3734:20 Unique 3.98, 5.41 A)
&rst
ixpk= 3734, nxpk= 20, iat=1806, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1168,1169,1170,
&end
#
# 67 LYS HB- 64 ILE MG2 3.50 (# 3737:20 Unique 2.00, 3.61 A)
&rst
ixpk= 3737, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1025,1026,
igr2= 981, 982, 983,
&end
#
# 115 THR MG2 76 ILE MG2 2.80 (# 3738:20 Unique 2.78, 4.33 A)
&rst
ixpk= 3738, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1798,1799,1800,
igr2=1168,1169,1170,
&end
#
# 77 LEU HN 77 LEU HG 5.50 (# 3739:20 Unique 4.44, 4.63 A)
&rst
ixpk= 3739, nxpk= 20, iat=1181,1188, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:3740 0 AMB 20-1:3740 2.80 (# 3740:20 Double Ambig)
&rst
ixpk= 3740, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 895, 896, 897, 899, 900, 901,1190,1191,1192,1194,
1195,1196,1190,1191,1192,1194,1195,1196,1815,1816,
1817,1819,1820,1821,
igr2= 893,1188,
&end
#
# 78 ARG HN 77 LEU MDX 5.50 (# 3741:20 Unique 2.66, 5.29 A)
&rst
ixpk= 3741, nxpk= 20, iat=1200, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1190,1191,1192,1194,1195,1196,
&end
#
# 76 ILE HN 77 LEU MDX 5.50 (# 3742:20 Unique 4.32, 6.34 A)
&rst
ixpk= 3742, nxpk= 20, iat=1162, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1190,1191,1192,1194,1195,1196,
&end
#
# 0 AMB 20-2:3743 77 LEU MDX 5.50 (# 3743:20 Single Ambig)
&rst
ixpk= 3743, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1306,1325,
igr2=1190,1191,1192,1194,1195,1196,
&end
#
# 82 VAL HA 77 LEU MDX 5.50 (# 3744:20 Unique 1.94, 3.93 A)
&rst
ixpk= 3744, nxpk= 20, iat=1268, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1190,1191,1192,1194,1195,1196,
&end
#
# 0 AMB 20-2:3745 77 LEU MDX 4.50 (# 3745:20 Single Ambig)
&rst
ixpk= 3745, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1270,1152,1153,
igr2=1190,1191,1192,1194,1195,1196,
&end
#
# 81 GLU HB+ 77 LEU MDX 3.50 (# 3746:20 Unique 1.89, 4.32 A)
&rst
ixpk= 3746, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1255,1256,
igr2=1190,1191,1192,1194,1195,1196,
&end
#
# 78 ARG HE 78 ARG HD+ 4.50 (# 3748:20 Unique 2.28, 2.71 A)
&rst
ixpk= 3748, nxpk= 20, iat=1213, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1210,1211,
&end
#
# 0 AMB 20-2:3749 79 ASP HA 2.80 (# 3749:20 Single Ambig)
&rst
ixpk= 3749, nxpk= 20, iat= -1,1226, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1782,1783,1784,1786,1787,1788,1782,1783,1784,1786,
1787,1788,
&end
#
# 80 GLU HB- 80 GLU HA 3.50 (# 3750:20 Unique 2.23, 2.64 A)
&rst
ixpk= 3750, nxpk= 20, iat= -1,1238, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1240,1241,
&end
#
# 0 AMB 20-2:3751 0 AMB 20-1:3751 2.80 (# 3751:20 Double Ambig)
&rst
ixpk= 3751, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 417,1238,
igr2= 422, 423, 422, 423,1243,1244,
&end
#
# 79 ASP HB+ 80 GLU HG+ 5.50 (# 3752:20 Unique 2.85, 4.66 A)
&rst
ixpk= 3752, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1228,1229,
igr2=1243,1244,
&end
#
# 79 ASP HB+ 80 GLU HG- 5.50 (# 3753:20 Unique 2.85, 4.66 A)
&rst
ixpk= 3753, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1228,1229,
igr2=1243,1244,
&end
#
# 111 PRO HA 112 LYS HA 5.50 (# 3754:20 Unique 4.31, 4.31 A)
&rst
ixpk= 3754, nxpk= 20, iat=1725,1731, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:3755 0 AMB 20-1:3755 4.50 (# 3755:20 Double Ambig)
&rst
ixpk= 3755, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1190,1191,1192,1194,1195,1196,1168,1169,1170,
igr2=1258,1259,1258,1259,
&end
#
# 85 LEU HN 82 VAL HA 5.50 (# 3757:20 Unique 3.50, 3.84 A)
&rst
ixpk= 3757, nxpk= 20, iat=1306,1268, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 85 LEU HB- 82 VAL HA 4.50 (# 3758:20 Unique 2.79, 3.53 A)
&rst
ixpk= 3758, nxpk= 20, iat= -1,1268, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1310,1311,
&end
#
# 0 AMB 20-2:3759 82 VAL HA 3.50 (# 3759:20 Single Ambig)
&rst
ixpk= 3759, nxpk= 20, iat= -1,1268, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1190,1191,1192,1194,1195,1196,1190,1191,1192,1194,
1195,1196,
&end
#
# 82 VAL HA 82 VAL HB 4.50 (# 3760:20 Unique 2.22, 2.23 A)
&rst
ixpk= 3760, nxpk= 20, iat=1268,1270, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 77 LEU HN 82 VAL MGX 5.50 (# 3761:20 Unique 5.31, 7.56 A)
&rst
ixpk= 3761, nxpk= 20, iat=1181, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1272,1273,1274,1276,1277,1278,
&end
#
# 81 GLU HN 82 VAL MGX 5.50 (# 3762:20 Unique 2.80, 4.92 A)
&rst
ixpk= 3762, nxpk= 20, iat=1251, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1272,1273,1274,1276,1277,1278,
&end
#
# 116 LEU HB- 82 VAL MGX 3.50 (# 3763:20 Unique 2.38, 4.09 A)
&rst
ixpk= 3763, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1810,1811,
igr2=1272,1273,1274,1276,1277,1278,
&end
#
# 83 PRO HD+ 82 VAL MGY 2.80 (# 3764:20 Unique 1.72, 3.06 A)
&rst
ixpk= 3764, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1283,1284,
igr2=1272,1273,1274,1276,1277,1278,
&end
#
# 33 PRO HG- 154 VAL MGX 2.80 (# 3765:20 Unique 1.93, 3.95 A)
&rst
ixpk= 3765, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 534, 535,
igr2=2379,2380,2381,2383,2384,2385,
&end
#
# 0 AMB 20-2:3766 82 VAL MGY 4.50 (# 3766:20 Single Ambig)
&rst
ixpk= 3766, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1185,1186,1777,1778,
igr2=1272,1273,1274,1276,1277,1278,
&end
#
# 116 LEU HB- 82 VAL MGY 2.80 (# 3767:20 Unique 2.38, 4.09 A)
&rst
ixpk= 3767, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1810,1811,
igr2=1272,1273,1274,1276,1277,1278,
&end
#
# 84 ALA HN 83 PRO HA 5.50 (# 3770:20 Unique 3.42, 3.53 A)
&rst
ixpk= 3770, nxpk= 20, iat=1296,1292, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:3771 83 PRO HA 4.50 (# 3771:20 Single Ambig)
&rst
ixpk= 3771, nxpk= 20, iat= -1,1292, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1329,1330,1283,1284,
&end
#
# 0 AMB 20-2:3772 83 PRO HA 5.50 (# 3772:20 Single Ambig)
&rst
ixpk= 3772, nxpk= 20, iat= -1,1292, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1522,1523,1524,1813,1506,1622,1623,1185,1186,
&end
#
# 82 VAL MGY 83 PRO HA 5.50 (# 3773:20 Unique 2.92, 4.66 A)
&rst
ixpk= 3773, nxpk= 20, iat= -1,1292, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1272,1273,1274,1276,1277,1278,
&end
#
# 0 AMB 20-2:3774 83 PRO HA 5.50 (# 3774:20 Single Ambig)
&rst
ixpk= 3774, nxpk= 20, iat= -1,1292, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=1522,1523,1524,1310,1311,1300,1301,1302,1503,1504,
&end
#
# 83 PRO HD+ 83 PRO HB+ 5.50 (# 3775:20 Unique 2.98, 3.70 A)
&rst
ixpk= 3775, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1283,1284,
igr2=1289,1290,
&end
#
# 83 PRO HG- 83 PRO HB+ 2.80 (# 3776:20 Unique 2.32, 2.58 A)
&rst
ixpk= 3776, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1286,1287,
igr2=1289,1290,
&end
#
# 101 LEU MDY 83 PRO HB- 4.50 (# 3777:20 Unique 1.97, 4.88 A)
&rst
ixpk= 3777, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1565,1566,1567,1569,1570,1571,
igr2=1289,1290,
&end
#
# 0 AMB 20-2:3778 83 PRO HG- 5.50 (# 3778:20 Single Ambig)
&rst
ixpk= 3778, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1266,1615,
igr2=1286,1287,
&end
#
# 84 ALA HN 83 PRO HG+ 5.50 (# 3781:20 Unique 1.95, 3.00 A)
&rst
ixpk= 3781, nxpk= 20, iat=1296, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1286,1287,
&end
#
# 84 ALA HN 83 PRO HG- 5.50 (# 3782:20 Unique 1.95, 3.00 A)
&rst
ixpk= 3782, nxpk= 20, iat=1296, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1286,1287,
&end
#
# 83 PRO HD+ 83 PRO HG+ 4.50 (# 3783:20 Unique 2.30, 2.58 A)
&rst
ixpk= 3783, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1283,1284,
igr2=1286,1287,
&end
#
# 0 AMB 20-2:3784 0 AMB 20-1:3784 2.80 (# 3784:20 Double Ambig)
&rst
ixpk= 3784, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1964,1965,1964,1965,
igr2=1961,1962,1961,1962,
&end
#
# 0 AMB 20-2:3785 0 AMB 20-1:3785 2.80 (# 3785:20 Double Ambig)
&rst
ixpk= 3785, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1289,1290,1100,1101,
igr2=1286,1287,1097,1098,
&end
#
# 110 PHE HD 111 PRO HD- 5.50 (# 3786:20 Unique 2.86, 4.23 A)
&rst
ixpk= 3786, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1703,1711,
igr2=1716,1717,
&end
#
# 0 AMB 20-2:3787 0 AMB 20-1:3787 4.50 (# 3787:20 Double Ambig)
&rst
ixpk= 3787, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1719,1720, 803, 804, 805,
igr2=1716,1717,1716,1717,
&end
#
# 101 LEU MDX 111 PRO HD+ 5.50 (# 3788:20 Unique 5.52, 7.24 A)
&rst
ixpk= 3788, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1565,1566,1567,1569,1570,1571,
igr2=1716,1717,
&end
#
# 101 LEU MDX 111 PRO HD- 5.50 (# 3789:20 Unique 5.52, 7.24 A)
&rst
ixpk= 3789, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1565,1566,1567,1569,1570,1571,
igr2=1716,1717,
&end
#
# 0 AMB 20-2:3790 111 PRO HD- 4.50 (# 3790:20 Single Ambig)
&rst
ixpk= 3790, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1605,1606,1607,1609,1610,1611, 895, 896, 897, 899,
900, 901,
igr2=1716,1717,
&end
#
# 0 AMB 20-2:3791 0 AMB 20-1:3791 5.50 (# 3791:20 Double Ambig)
&rst
ixpk= 3791, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=1782,1783,1784,1786,1787,1788,1782,1783,1784,1786,
1787,1788,
igr2=1716,1717,1716,1717,
&end
#
# 81 GLU HG+ 84 ALA MB 5.50 (# 3792:20 Unique 4.67, 6.36 A)
&rst
ixpk= 3792, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1258,1259,
igr2=1300,1301,1302,
&end
#
# 159 ARG HN 159 ARG HA 3.50 (# 3794:20 Unique 2.27, 2.27 A)
&rst
ixpk= 3794, nxpk= 20, iat=2447,2449, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 104 LEU HA 104 LEU MDY 5.50 (# 3795:20 Unique 1.81, 3.26 A)
&rst
ixpk= 3795, nxpk= 20, iat=1598, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1605,1606,1607,1609,1610,1611,
&end
#
# 86 PHE HA 85 LEU MDY 5.50 (# 3796:20 Unique 2.22, 3.93 A)
&rst
ixpk= 3796, nxpk= 20, iat=1327, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1315,1316,1317,1319,1320,1321,
&end
#
# 0 AMB 20-2:3797 85 LEU MDY 5.50 (# 3797:20 Single Ambig)
&rst
ixpk= 3797, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
igr1=1268,1329,1330,1014,1015,
igr2=1315,1316,1317,1319,1320,1321,
&end
#
# 0 AMB 20-2:3798 85 LEU MDY 5.50 (# 3798:20 Single Ambig)
&rst
ixpk= 3798, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1034,1035,1363,1364,1363,1364,
igr2=1315,1316,1317,1319,1320,1321,
&end
#
# 85 LEU HB+ 85 LEU MDY 2.80 (# 3799:20 Unique 2.07, 3.47 A)
&rst
ixpk= 3799, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1310,1311,
igr2=1315,1316,1317,1319,1320,1321,
&end
#
# 64 ILE HG1- 85 LEU MDY 3.50 (# 3800:20 Unique 2.15, 4.74 A)
&rst
ixpk= 3800, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 985, 986,
igr2=1315,1316,1317,1319,1320,1321,
&end
#
# 0 AMB 20-2:3802 85 LEU MDX 5.50 (# 3802:20 Single Ambig)
&rst
ixpk= 3802, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
igr1=1268,1329,1330,1014,1015,
igr2=1315,1316,1317,1319,1320,1321,
&end
#
# 89 LYS HN 88 ASN HA 5.50 (# 3804:20 Unique 2.14, 3.03 A)
&rst
ixpk= 3804, nxpk= 20, iat=1373,1361, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:3805 88 ASN HA 4.50 (# 3805:20 Single Ambig)
&rst
ixpk= 3805, nxpk= 20, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1380,1381,1405,1406,
&end
#
# 0 AMB 20-2:3806 0 AMB 20-1:3806 4.50 (# 3806:20 Double Ambig)
&rst
ixpk= 3806, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 636, 637, 638, 640, 641, 642,1408,1409,1410,
igr2= 629,1361,
&end
#
# 0 AMB 20-2:3807 0 AMB 20-1:3807 5.50 (# 3807:20 Double Ambig)
&rst
ixpk= 3807, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1373,1395,
igr2=1363,1364,1363,1364,1363,1364,
&end
#
# 89 LYS HB- 89 LYS HA 2.80 (# 3808:20 Unique 2.38, 2.78 A)
&rst
ixpk= 3808, nxpk= 20, iat= -1,1375, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1377,1378,
&end
#
# 89 LYS HG+ 89 LYS HB- 2.80 (# 3809:20 Unique 2.21, 2.65 A)
&rst
ixpk= 3809, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1380,1381,
igr2=1377,1378,
&end
#
# 0 AMB 20-2:3810 0 AMB 20-1:3810 3.50 (# 3810:20 Double Ambig)
&rst
ixpk= 3810, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1377,1378, 496,
igr2=1405,1406,2424,2425,
&end
#
# 92 PRO HD+ 92 PRO HA 4.50 (# 3811:20 Unique 3.60, 3.85 A)
&rst
ixpk= 3811, nxpk= 20, iat= -1,1435, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1426,1427,
&end
#
# 95 LEU HN 92 PRO HA 5.50 (# 3813:20 Unique 2.63, 3.30 A)
&rst
ixpk= 3813, nxpk= 20, iat=1473,1435, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 92 PRO HB+ 92 PRO HD+ 5.50 (# 3814:20 Unique 2.98, 3.70 A)
&rst
ixpk= 3814, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1432,1433,
igr2=1426,1427,
&end
#
# 95 LEU MDX 95 LEU HG 2.80 (# 3815:20 Unique 2.22, 2.63 A)
&rst
ixpk= 3815, nxpk= 20, iat= -1,1480, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1482,1483,1484,1486,1487,1488,
&end
#
# 92 PRO HA 95 LEU HG 5.50 (# 3816:20 Unique 3.09, 3.40 A)
&rst
ixpk= 3816, nxpk= 20, iat=1435,1480, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 116 LEU HN 114 LEU MDX 5.50 (# 3817:20 Unique 3.54, 5.99 A)
&rst
ixpk= 3817, nxpk= 20, iat=1806, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1782,1783,1784,1786,1787,1788,
&end
#
# 115 THR HN 114 LEU MDX 3.50 (# 3818:20 Unique 1.97, 4.23 A)
&rst
ixpk= 3818, nxpk= 20, iat=1792, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1782,1783,1784,1786,1787,1788,
&end
#
# 96 GLY HN 95 LEU MDX 5.50 (# 3819:20 Unique 1.94, 5.06 A)
&rst
ixpk= 3819, nxpk= 20, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1482,1483,1484,1486,1487,1488,
&end
#
# 95 LEU HN 95 LEU MDX 5.50 (# 3820:20 Unique 2.09, 4.71 A)
&rst
ixpk= 3820, nxpk= 20, iat=1473, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1482,1483,1484,1486,1487,1488,
&end
#
# 52 MET HG+ 114 LEU MDX 5.50 (# 3821:20 Unique 3.36, 6.60 A)
&rst
ixpk= 3821, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 799, 800,
igr2=1782,1783,1784,1786,1787,1788,
&end
#
# 116 LEU HB- 114 LEU MDX 2.80 (# 3822:20 Unique 2.40, 5.17 A)
&rst
ixpk= 3822, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1810,1811,
igr2=1782,1783,1784,1786,1787,1788,
&end
#
# 0 AMB 20-2:3823 97 LEU HA 5.50 (# 3823:20 Single Ambig)
&rst
ixpk= 3823, nxpk= 20, iat= -1,1501, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1518,1556, 735,
&end
#
# 97 LEU HG 97 LEU HA 3.50 (# 3824:20 Unique 2.49, 2.60 A)
&rst
ixpk= 3824, nxpk= 20, iat=1506,1501, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:3825 0 AMB 20-1:3825 5.50 (# 3825:20 Double Ambig)
&rst
ixpk= 3825, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 735, 686, 953,
igr2=1503,1504,1503,1504,1503,1504,
&end
#
# 0 AMB 20-2:3826 97 LEU HB- 5.50 (# 3826:20 Single Ambig)
&rst
ixpk= 3826, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 735, 686, 953,
igr2=1503,1504,
&end
#
# 97 LEU HN 97 LEU HB+ 4.50 (# 3827:20 Unique 2.05, 2.62 A)
&rst
ixpk= 3827, nxpk= 20, iat=1499, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1503,1504,
&end
#
# 86 PHE HD 97 LEU HB+ 5.50 (# 3828:20 Unique 3.74, 5.20 A)
&rst
ixpk= 3828, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1333,1341,
igr2=1503,1504,
&end
#
# 0 AMB 20-2:3830 97 LEU MDX 5.50 (# 3830:20 Single Ambig)
&rst
ixpk= 3830, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 735, 953, 686,
igr2=1508,1509,1510,1512,1513,1514,
&end
#
# 0 AMB 20-2:3831 97 LEU MDX 5.50 (# 3831:20 Single Ambig)
&rst
ixpk= 3831, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1540, 141,
igr2=1508,1509,1510,1512,1513,1514,
&end
#
# 0 AMB 20-2:3832 97 LEU MDX 5.50 (# 3832:20 Single Ambig)
&rst
ixpk= 3832, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1499,1456,
igr2=1508,1509,1510,1512,1513,1514,
&end
#
# 8 VAL HB 97 LEU MDX 5.50 (# 3833:20 Unique 3.57, 6.55 A)
&rst
ixpk= 3833, nxpk= 20, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1508,1509,1510,1512,1513,1514,
&end
#
# 97 LEU HB- 97 LEU MDX 3.50 (# 3834:20 Unique 2.13, 3.30 A)
&rst
ixpk= 3834, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1503,1504,
igr2=1508,1509,1510,1512,1513,1514,
&end
#
# 0 AMB 20-2:3835 97 LEU MDX 4.50 (# 3835:20 Single Ambig)
&rst
ixpk= 3835, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1810,1811,1600,1601,
igr2=1508,1509,1510,1512,1513,1514,
&end
#
# 0 AMB 20-2:3836 97 LEU MDX 3.50 (# 3836:20 Single Ambig)
&rst
ixpk= 3836, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1546,1547,1548,1550,1551,1552,1546,1547,1548,1550,
1551,1552,
igr2=1508,1509,1510,1512,1513,1514,
&end
#
# 0 AMB 20-2:3837 97 LEU MDX 2.80 (# 3837:20 Single Ambig)
&rst
ixpk= 3837, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 131, 132, 133, 135, 136, 137, 131, 132, 133, 135,
136, 137, 937, 938, 939, 744, 745, 746, 748, 749,
750, 744, 745, 746, 748, 749, 750,
igr2=1508,1509,1510,1512,1513,1514,
&end
#
# 0 AMB 20-2:3840 97 LEU MDY 4.50 (# 3840:20 Single Ambig)
&rst
ixpk= 3840, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 735, 953, 686,
igr2=1508,1509,1510,1512,1513,1514,
&end
#
# 97 LEU HB- 97 LEU MDY 2.80 (# 3842:20 Unique 2.13, 3.30 A)
&rst
ixpk= 3842, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1503,1504,
igr2=1508,1509,1510,1512,1513,1514,
&end
#
# 86 PHE HB+ 98 ALA HA 5.50 (# 3843:20 Unique 2.67, 2.90 A)
&rst
ixpk= 3843, nxpk= 20, iat= -1,1520, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1329,1330,
&end
#
# 98 ALA MB 99 ASP HA 5.50 (# 3844:20 Unique 3.77, 4.72 A)
&rst
ixpk= 3844, nxpk= 20, iat= -1,1530, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1522,1523,1524,
&end
#
# 46 MET HA 100 VAL HA 5.50 (# 3845:20 Unique 3.38, 3.96 A)
&rst
ixpk= 3845, nxpk= 20, iat= 705,1542, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 104 LEU HN 100 VAL MGX 5.50 (# 3846:20 Unique 4.19, 5.39 A)
&rst
ixpk= 3846, nxpk= 20, iat=1596, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1546,1547,1548,1550,1551,1552,
&end
#
# 99 ASP HB+ 100 VAL MGX 5.50 (# 3847:20 Unique 4.88, 6.56 A)
&rst
ixpk= 3847, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1532,1533,
igr2=1546,1547,1548,1550,1551,1552,
&end
#
# 46 MET HG+ 100 VAL MGX 5.50 (# 3848:20 Unique 1.98, 5.48 A)
&rst
ixpk= 3848, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 710, 711,
igr2=1546,1547,1548,1550,1551,1552,
&end
#
# 0 AMB 20-2:3849 100 VAL MGX 2.80 (# 3849:20 Single Ambig)
&rst
ixpk= 3849, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 714, 715, 716,1544,
igr2=1546,1547,1548,1550,1551,1552,
&end
#
# 49 LEU HB+ 100 VAL MGX 3.50 (# 3850:20 Unique 1.93, 4.38 A)
&rst
ixpk= 3850, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 758, 759,
igr2=1546,1547,1548,1550,1551,1552,
&end
#
# 49 LEU HB- 100 VAL MGX 3.50 (# 3851:20 Unique 1.93, 4.38 A)
&rst
ixpk= 3851, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 758, 759,
igr2=1546,1547,1548,1550,1551,1552,
&end
#
# 49 LEU HG 100 VAL MGX 3.50 (# 3852:20 Unique 1.95, 4.04 A)
&rst
ixpk= 3852, nxpk= 20, iat= 761, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1546,1547,1548,1550,1551,1552,
&end
#
# 0 AMB 20-2:3853 100 VAL MGX 3.50 (# 3853:20 Single Ambig)
&rst
ixpk= 3853, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1508,1509,1510,1512,1513,1514,1605,1606,1607,1609,
1610,1611,
igr2=1546,1547,1548,1550,1551,1552,
&end
#
# 0 AMB 20-2:3854 100 VAL MGY 2.80 (# 3854:20 Single Ambig)
&rst
ixpk= 3854, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 735,1556,
igr2=1546,1547,1548,1550,1551,1552,
&end
#
# 49 LEU HN 100 VAL MGY 4.50 (# 3855:20 Unique 1.95, 3.88 A)
&rst
ixpk= 3855, nxpk= 20, iat= 754, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1546,1547,1548,1550,1551,1552,
&end
#
# 46 MET HA 100 VAL MGY 2.80 (# 3856:20 Unique 1.97, 3.41 A)
&rst
ixpk= 3856, nxpk= 20, iat= 705, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1546,1547,1548,1550,1551,1552,
&end
#
# 0 AMB 20-2:3857 0 AMB 20-1:3857 2.80 (# 3857:20 Double Ambig)
&rst
ixpk= 3857, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=2065,1501,
igr2=2067,2068,2069,1546,1547,1548,1550,1551,1552,
&end
#
# 0 AMB 20-2:3858 0 AMB 20-1:3858 2.80 (# 3858:20 Double Ambig)
&rst
ixpk= 3858, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1542,2063,
igr2=1546,1547,1548,1550,1551,1552,2067,2068,2069,
&end
#
# 0 AMB 20-2:3859 100 VAL MGY 3.50 (# 3859:20 Single Ambig)
&rst
ixpk= 3859, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1600,1601,1560,1561,
igr2=1546,1547,1548,1550,1551,1552,
&end
#
# 0 AMB 20-2:3860 0 AMB 20-1:3860 2.80 (# 3860:20 Double Ambig)
&rst
ixpk= 3860, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 714, 715, 716,1544,1100,1101,
igr2=1546,1547,1548,1550,1551,1552,2067,2068,2069,
&end
#
# 49 LEU HB+ 100 VAL MGY 2.80 (# 3861:20 Unique 1.93, 4.38 A)
&rst
ixpk= 3861, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 758, 759,
igr2=1546,1547,1548,1550,1551,1552,
&end
#
# 0 AMB 20-2:3862 100 VAL MGY 2.80 (# 3862:20 Single Ambig)
&rst
ixpk= 3862, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 758, 759, 803, 804, 805,
igr2=1546,1547,1548,1550,1551,1552,
&end
#
# 49 LEU HG 100 VAL MGY 3.50 (# 3863:20 Unique 1.95, 4.04 A)
&rst
ixpk= 3863, nxpk= 20, iat= 761, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1546,1547,1548,1550,1551,1552,
&end
#
# 0 AMB 20-2:3865 100 VAL MGY 2.80 (# 3865:20 Single Ambig)
&rst
ixpk= 3865, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=1508,1509,1510,1512,1513,1514,1605,1606,1607,1609,
1610,1611,
igr2=1546,1547,1548,1550,1551,1552,
&end
#
# 110 PHE HD 101 LEU MDY 5.50 (# 3866:20 Unique 4.02, 7.09 A)
&rst
ixpk= 3866, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1703,1711,
igr2=1565,1566,1567,1569,1570,1571,
&end
#
# 86 PHE HE 0 AMB 20-1:3867 4.50 (# 3867:20 Single Ambig)
&rst
ixpk= 3867, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1335,1339,
igr2=1565,1566,1567,1569,1570,1571,1815,1816,1817,1819,
1820,1821,
&end
#
# 101 LEU HB+ 101 LEU MDY 3.50 (# 3868:20 Unique 2.29, 3.48 A)
&rst
ixpk= 3868, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1560,1561,
igr2=1565,1566,1567,1569,1570,1571,
&end
#
# 86 PHE HE 101 LEU MDX 4.50 (# 3869:20 Unique 2.20, 5.56 A)
&rst
ixpk= 3869, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1335,1339,
igr2=1565,1566,1567,1569,1570,1571,
&end
#
# 101 LEU HB+ 101 LEU MDX 2.80 (# 3870:20 Unique 2.29, 3.48 A)
&rst
ixpk= 3870, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1560,1561,
igr2=1565,1566,1567,1569,1570,1571,
&end
#
# 0 AMB 20-2:3871 101 LEU MDX 2.80 (# 3871:20 Single Ambig)
&rst
ixpk= 3871, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=1782,1783,1784,1786,1787,1788,1782,1783,1784,1786,
1787,1788,
igr2=1565,1566,1567,1569,1570,1571,
&end
#
# 104 LEU HN 104 LEU HB+ 4.50 (# 3873:20 Unique 2.05, 2.59 A)
&rst
ixpk= 3873, nxpk= 20, iat=1596, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1600,1601,
&end
#
# 105 ARG HN 104 LEU HB+ 5.50 (# 3874:20 Unique 2.29, 2.97 A)
&rst
ixpk= 3874, nxpk= 20, iat=1615, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1600,1601,
&end
#
# 110 PHE HD 104 LEU HB+ 5.50 (# 3875:20 Unique 1.91, 5.04 A)
&rst
ixpk= 3875, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1703,1711,
igr2=1600,1601,
&end
#
# 104 LEU HA 104 LEU HB+ 5.50 (# 3876:20 Unique 2.56, 2.83 A)
&rst
ixpk= 3876, nxpk= 20, iat=1598, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1600,1601,
&end
#
# 101 LEU HA 104 LEU HB+ 4.50 (# 3877:20 Unique 2.28, 2.99 A)
&rst
ixpk= 3877, nxpk= 20, iat=1558, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1600,1601,
&end
#
# 0 AMB 20-2:3878 104 LEU MDY 5.50 (# 3878:20 Single Ambig)
&rst
ixpk= 3878, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 819,1556, 735,1575,
igr2=1605,1606,1607,1609,1610,1611,
&end
#
# 0 AMB 20-2:3879 104 LEU MDY 5.50 (# 3879:20 Single Ambig)
&rst
ixpk= 3879, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 792,1615,
igr2=1605,1606,1607,1609,1610,1611,
&end
#
# 53 ALA HN 104 LEU MDY 5.50 (# 3880:20 Unique 2.82, 4.61 A)
&rst
ixpk= 3880, nxpk= 20, iat= 809, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1605,1606,1607,1609,1610,1611,
&end
#
# 0 AMB 20-2:3881 104 LEU MDY 3.50 (# 3881:20 Single Ambig)
&rst
ixpk= 3881, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1600,1601,1684,1685,
igr2=1605,1606,1607,1609,1610,1611,
&end
#
# 104 LEU HB- 104 LEU MDY 3.50 (# 3882:20 Unique 1.95, 3.40 A)
&rst
ixpk= 3882, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1600,1601,
igr2=1605,1606,1607,1609,1610,1611,
&end
#
# 0 AMB 20-2:3883 104 LEU MDX 5.50 (# 3883:20 Single Ambig)
&rst
ixpk= 3883, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1695, 780,
igr2=1605,1606,1607,1609,1610,1611,
&end
#
# 0 AMB 20-2:3884 104 LEU MDX 2.80 (# 3884:20 Single Ambig)
&rst
ixpk= 3884, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1600,1601,1684,1685,
igr2=1605,1606,1607,1609,1610,1611,
&end
#
# 106 PHE HB+ 107 THR HA 5.50 (# 3885:20 Unique 3.84, 4.51 A)
&rst
ixpk= 3885, nxpk= 20, iat= -1,1661, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1643,1644,
&end
#
# 106 PHE HB+ 107 THR MG2 5.50 (# 3886:20 Unique 2.97, 5.18 A)
&rst
ixpk= 3886, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1643,1644,
igr2=1665,1666,1667,
&end
#
# 106 PHE HB- 107 THR MG2 5.50 (# 3887:20 Unique 2.97, 5.18 A)
&rst
ixpk= 3887, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1643,1644,
igr2=1665,1666,1667,
&end
#
# 0 AMB 20-2:3888 107 THR MG2 5.50 (# 3888:20 Single Ambig)
&rst
ixpk= 3888, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1684,1685,1687,1688,
igr2=1665,1666,1667,
&end
#
# 109 GLU HB- 107 THR MG2 5.50 (# 3890:20 Unique 1.95, 4.23 A)
&rst
ixpk= 3890, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1684,1685,
igr2=1665,1666,1667,
&end
#
# 104 LEU MDX 107 THR MG2 4.50 (# 3891:20 Unique 2.56, 6.06 A)
&rst
ixpk= 3891, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1605,1606,1607,1609,1610,1611,
igr2=1665,1666,1667,
&end
#
# 54 ASN HD2- 109 GLU HG+ 5.50 (# 3892:20 Unique 1.98, 4.03 A)
&rst
ixpk= 3892, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 828, 829,
igr2=1687,1688,
&end
#
# 54 ASN HD2- 109 GLU HG- 5.50 (# 3893:20 Unique 1.98, 4.03 A)
&rst
ixpk= 3893, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 828, 829,
igr2=1687,1688,
&end
#
# 109 GLU HB- 109 GLU HG+ 2.80 (# 3894:20 Unique 2.21, 2.65 A)
&rst
ixpk= 3894, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1684,1685,
igr2=1687,1688,
&end
#
# 0 AMB 20-2:3895 0 AMB 20-1:3895 2.80 (# 3895:20 Double Ambig)
&rst
ixpk= 3895, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=2018,2019,1684,1685,
igr2=2098,2099,1687,1688,
&end
#
# 0 AMB 20-2:3896 109 GLU HG- 4.50 (# 3896:20 Single Ambig)
&rst
ixpk= 3896, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 813, 814, 815,1665,1666,1667,
igr2=1687,1688,
&end
#
# 53 ALA MB 109 GLU HG+ 4.50 (# 3897:20 Unique 1.95, 3.86 A)
&rst
ixpk= 3897, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 813, 814, 815,
igr2=1687,1688,
&end
#
# 110 PHE HN 110 PHE HA 4.50 (# 3898:20 Unique 2.57, 2.69 A)
&rst
ixpk= 3898, nxpk= 20, iat=1695,1697, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 104 LEU MDX 110 PHE HA 3.50 (# 3899:20 Unique 2.03, 4.89 A)
&rst
ixpk= 3899, nxpk= 20, iat= -1,1697, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1605,1606,1607,1609,1610,1611,
&end
#
# 58 LEU HN 111 PRO HB+ 5.50 (# 3900:20 Unique 3.19, 4.46 A)
&rst
ixpk= 3900, nxpk= 20, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1722,1723,
&end
#
# 58 LEU HN 111 PRO HB- 5.50 (# 3901:20 Unique 3.19, 4.46 A)
&rst
ixpk= 3901, nxpk= 20, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1722,1723,
&end
#
# 0 AMB 20-2:3902 0 AMB 20-1:3902 5.50 (# 3902:20 Double Ambig)
&rst
ixpk= 3902, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1716,1717,1742,1743, 873, 874,
igr2=1722,1723,1733,1734,
&end
#
# 110 PHE HD 111 PRO HG- 5.50 (# 3907:20 Unique 4.11, 5.67 A)
&rst
ixpk= 3907, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1703,1711,
igr2=1719,1720,
&end
#
# 0 AMB 20-2:3909 0 AMB 20-1:3909 2.80 (# 3909:20 Double Ambig)
&rst
ixpk= 3909, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 895, 896, 897, 899, 900, 901, 937, 938, 939, 744,
745, 746, 748, 749, 750,
igr2= 934, 935, 934, 935, 934, 935,
&end
#
# 101 LEU MDX 111 PRO HG+ 5.50 (# 3910:20 Unique 6.07, 7.81 A)
&rst
ixpk= 3910, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1565,1566,1567,1569,1570,1571,
igr2=1719,1720,
&end
#
# 101 LEU MDX 111 PRO HG- 5.50 (# 3911:20 Unique 6.07, 7.81 A)
&rst
ixpk= 3911, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1565,1566,1567,1569,1570,1571,
igr2=1719,1720,
&end
#
# 58 LEU HB- 111 PRO HG+ 4.50 (# 3912:20 Unique 1.93, 3.53 A)
&rst
ixpk= 3912, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 890, 891,
igr2=1719,1720,
&end
#
# 0 AMB 20-2:3914 0 AMB 20-1:3914 3.50 (# 3914:20 Double Ambig)
&rst
ixpk= 3914, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=2039,2040,2041,1736,1737,2018,2019,
igr2=2079,1733,1734,
&end
#
# 0 AMB 20-2:3915 0 AMB 20-1:3915 2.80 (# 3915:20 Double Ambig)
&rst
ixpk= 3915, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1736,1737,2018,2019,
igr2=1733,1734,2079,
&end
#
# 113 LYS HN 112 LYS HG- 5.50 (# 3916:20 Unique 4.25, 4.72 A)
&rst
ixpk= 3916, nxpk= 20, iat=1751, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1736,1737,
&end
#
# 113 LYS HN 0 AMB 20-1:3918 5.50 (# 3918:20 Single Ambig)
&rst
ixpk= 3918, nxpk= 20, iat=1751, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1739,1740,1739,1740,
&end
#
# 0 AMB 20-2:3919 0 AMB 20-1:3919 5.50 (# 3919:20 Double Ambig)
&rst
ixpk= 3919, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1764,1765,1764,1765,
igr2=1739,1740,1739,1740,
&end
#
# 56 ASP HB- 0 AMB 20-1:3920 5.50 (# 3920:20 Single Ambig)
&rst
ixpk= 3920, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 861, 862,
igr2=1739,1740,1739,1740,
&end
#
# 112 LYS HG- 0 AMB 20-1:3923 2.80 (# 3923:20 Single Ambig)
&rst
ixpk= 3923, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1736,1737,
igr2=1739,1740,1739,1740,
&end
#
# 112 LYS HB- 112 LYS HE+ 5.50 (# 3924:20 Unique 3.96, 4.44 A)
&rst
ixpk= 3924, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1733,1734,
igr2=1742,1743,
&end
#
# 112 LYS HB+ 112 LYS HE+ 5.50 (# 3925:20 Unique 3.96, 4.44 A)
&rst
ixpk= 3925, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1733,1734,
igr2=1742,1743,
&end
#
# 113 LYS HE- 113 LYS HB- 5.50 (# 3926:20 Unique 2.19, 3.51 A)
&rst
ixpk= 3926, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1764,1765,
igr2=1755,1756,
&end
#
# 114 LEU HN 113 LYS HG+ 5.50 (# 3927:20 Unique 2.56, 3.81 A)
&rst
ixpk= 3927, nxpk= 20, iat=1773, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1758,1759,
&end
#
# 114 LEU HN 113 LYS HG- 5.50 (# 3928:20 Unique 2.56, 3.81 A)
&rst
ixpk= 3928, nxpk= 20, iat=1773, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1758,1759,
&end
#
# 113 LYS HA 113 LYS HG+ 4.50 (# 3929:20 Unique 2.11, 2.64 A)
&rst
ixpk= 3929, nxpk= 20, iat=1753, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1758,1759,
&end
#
# 113 LYS HE- 113 LYS HG- 5.50 (# 3930:20 Unique 2.17, 3.43 A)
&rst
ixpk= 3930, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1764,1765,
igr2=1758,1759,
&end
#
# 0 AMB 20-2:3931 0 AMB 20-1:3931 5.50 (# 3931:20 Double Ambig)
&rst
ixpk= 3931, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1069,1070,1764,1765,
igr2=1028,1029,1758,1759,
&end
#
# 0 AMB 20-2:3932 0 AMB 20-1:3932 2.80 (# 3932:20 Double Ambig)
&rst
ixpk= 3932, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1377,1378,1025,1026,
igr2=1380,1381,1028,1029,
&end
#
# 0 AMB 20-2:3933 0 AMB 20-1:3933 2.80 (# 3933:20 Double Ambig)
&rst
ixpk= 3933, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=1053,1054,1053,1054,1025,1026,1383,1384,
igr2=1028,1029,1028,1029,1028,1029,1380,1381,
&end
#
# 0 AMB 20-2:3935 0 AMB 20-1:3935 2.80 (# 3935:20 Double Ambig)
&rst
ixpk= 3935, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1755,1756,1758,1759,
igr2=1761,1762,1761,1762,
&end
#
# 151 GLU HB- 113 LYS HE- 5.50 (# 3936:20 Unique 5.04, 6.03 A)
&rst
ixpk= 3936, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2344,2345,
igr2=1764,1765,
&end
#
# 0 AMB 20-2:3937 113 LYS HE- 5.50 (# 3937:20 Single Ambig)
&rst
ixpk= 3937, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1733,1734,1722,1723, 890, 891,
igr2=1764,1765,
&end
#
# 0 AMB 20-2:3938 113 LYS HE- 5.50 (# 3938:20 Single Ambig)
&rst
ixpk= 3938, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=1739,1740,1739,1740,2377,
igr2=1764,1765,
&end
#
# 0 AMB 20-2:3939 113 LYS HE- 3.50 (# 3939:20 Single Ambig)
&rst
ixpk= 3939, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1758,1759,1755,1756,
igr2=1764,1765,
&end
#
# 113 LYS HD+ 113 LYS HE- 4.50 (# 3940:20 Unique 2.22, 2.62 A)
&rst
ixpk= 3940, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1761,1762,
igr2=1764,1765,
&end
#
# 0 AMB 20-2:3941 113 LYS HE- 2.80 (# 3941:20 Single Ambig)
&rst
ixpk= 3941, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1758,1759,1761,1762,
igr2=1764,1765,
&end
#
# 0 AMB 20-2:3942 114 LEU HB- 4.50 (# 3942:20 Single Ambig)
&rst
ixpk= 3942, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1= 803, 804, 805,1722,1723, 796, 797,
igr2=1777,1778,
&end
#
# 0 AMB 20-2:3943 114 LEU HB- 4.50 (# 3943:20 Single Ambig)
&rst
ixpk= 3943, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1272,1273,1274,1276,1277,1278,1565,1566,1567,1569,
1570,1571,
igr2=1777,1778,
&end
#
# 115 THR HN 114 LEU MDY 5.50 (# 3944:20 Unique 1.97, 4.23 A)
&rst
ixpk= 3944, nxpk= 20, iat=1792, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1782,1783,1784,1786,1787,1788,
&end
#
# 0 AMB 20-2:3945 114 LEU MDY 5.50 (# 3945:20 Single Ambig)
&rst
ixpk= 3945, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1266,1615, 792,
igr2=1782,1783,1784,1786,1787,1788,
&end
#
# 114 LEU HA 114 LEU MDY 5.50 (# 3946:20 Unique 2.25, 4.14 A)
&rst
ixpk= 3946, nxpk= 20, iat=1775, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1782,1783,1784,1786,1787,1788,
&end
#
# 83 PRO HD+ 114 LEU MDY 4.50 (# 3947:20 Unique 2.85, 5.49 A)
&rst
ixpk= 3947, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1283,1284,
igr2=1782,1783,1784,1786,1787,1788,
&end
#
# 0 AMB 20-2:3948 114 LEU MDY 5.50 (# 3948:20 Single Ambig)
&rst
ixpk= 3948, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1716,1717,1699,1700,
igr2=1782,1783,1784,1786,1787,1788,
&end
#
# 0 AMB 20-2:3950 114 LEU MDY 4.50 (# 3950:20 Single Ambig)
&rst
ixpk= 3950, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 796, 797,1603,1289,1290,
igr2=1782,1783,1784,1786,1787,1788,
&end
#
# 101 LEU MDX 114 LEU MDY 3.50 (# 3951:20 Unique 1.95, 4.98 A)
&rst
ixpk= 3951, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1565,1566,1567,1569,1570,1571,
igr2=1782,1783,1784,1786,1787,1788,
&end
#
# 83 PRO HD+ 114 LEU MDX 5.50 (# 3952:20 Unique 2.85, 5.49 A)
&rst
ixpk= 3952, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1283,1284,
igr2=1782,1783,1784,1786,1787,1788,
&end
#
# 114 LEU HB- 114 LEU MDX 2.80 (# 3953:20 Unique 2.32, 3.27 A)
&rst
ixpk= 3953, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1777,1778,
igr2=1782,1783,1784,1786,1787,1788,
&end
#
# 101 LEU MDX 114 LEU MDX 3.50 (# 3954:20 Unique 1.95, 4.98 A)
&rst
ixpk= 3954, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1565,1566,1567,1569,1570,1571,
igr2=1782,1783,1784,1786,1787,1788,
&end
#
# 115 THR HN 115 THR HB 5.50 (# 3956:20 Unique 3.08, 3.12 A)
&rst
ixpk= 3956, nxpk= 20, iat=1792,1796, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:3957 115 THR HB 5.50 (# 3957:20 Single Ambig)
&rst
ixpk= 3957, nxpk= 20, iat= -1,1796, r1= 1.30, r2= 1.80, r3= 9.47, r4= 9.97,
igr1= 915, 916,1831,1832,1833,1835,1836,1837,1782,1783,
1784,1786,1787,1788,1782,1783,1784,1786,1787,1788,
2248,2249,2250,2252,2253,2254,
&end
#
# 59 ILE MG2 115 THR HB 5.50 (# 3958:20 Unique 1.98, 3.23 A)
&rst
ixpk= 3958, nxpk= 20, iat= -1,1796, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 911, 912, 913,
&end
#
# 59 ILE HG1+ 115 THR HB 5.50 (# 3959:20 Unique 2.88, 3.69 A)
&rst
ixpk= 3959, nxpk= 20, iat= -1,1796, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 915, 916,
&end
#
# 0 AMB 20-2:3960 0 AMB 20-1:3960 5.50 (# 3960:20 Double Ambig)
&rst
ixpk= 3960, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 627,1181,
igr2= 618, 619,1813,
&end
#
# 0 AMB 20-2:3962 0 AMB 20-1:3962 2.80 (# 3962:20 Double Ambig)
&rst
ixpk= 3962, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1815,1816,1817,1819,1820,1821,1272,1273,1274,1276,
1277,1278, 405, 406, 407, 409, 410, 411, 520, 521,
522, 524, 525, 526, 520, 521, 522, 524, 525, 526,
igr2=1813, 618, 619,
&end
#
# 0 AMB 20-2:3963 0 AMB 20-1:3963 2.80 (# 3963:20 Double Ambig)
&rst
ixpk= 3963, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=2379,2380,2381,2383,2384,2385, 621, 622, 623,
igr2= 534, 535, 618, 619,
&end
#
# 116 LEU HA 116 LEU MDX 5.50 (# 3964:20 Unique 1.91, 3.57 A)
&rst
ixpk= 3964, nxpk= 20, iat=1808, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1815,1816,1817,1819,1820,1821,
&end
#
# 0 AMB 20-2:3966 0 AMB 20-1:3966 2.80 (# 3966:20 Double Ambig)
&rst
ixpk= 3966, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1810,1811, 515, 516,
igr2=1815,1816,1817,1819,1820,1821, 520, 521, 522, 524,
525, 526,
&end
#
# 118 GLY HA- 117 VAL HA 5.50 (# 3967:20 Unique 4.38, 4.40 A)
&rst
ixpk= 3967, nxpk= 20, iat= -1,1827, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1843,1844,
&end
#
# 11 ILE HN 20 VAL HB 5.50 (# 3968:20 Unique 4.89, 5.29 A)
&rst
ixpk= 3968, nxpk= 20, iat= 162, 300, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 LEU HN 117 VAL MGY 5.50 (# 3969:20 Unique 3.58, 5.61 A)
&rst
ixpk= 3969, nxpk= 20, iat=1181, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1831,1832,1833,1835,1836,1837,
&end
#
# 145 VAL HA 117 VAL MGY 3.50 (# 3970:20 Unique 3.95, 6.07 A)
&rst
ixpk= 3970, nxpk= 20, iat=2244, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1831,1832,1833,1835,1836,1837,
&end
#
# 144 GLN HB- 117 VAL MGY 4.50 (# 3971:20 Unique 2.49, 4.69 A)
&rst
ixpk= 3971, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2229,2230,
igr2=1831,1832,1833,1835,1836,1837,
&end
#
# 0 AMB 20-2:3972 117 VAL MGY 3.50 (# 3972:20 Single Ambig)
&rst
ixpk= 3972, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1798,1799,1800, 280, 281,
igr2=1831,1832,1833,1835,1836,1837,
&end
#
# 64 ILE HG1- 118 GLY HA+ 5.50 (# 3973:20 Unique 2.15, 3.32 A)
&rst
ixpk= 3973, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 985, 986,
igr2=1843,1844,
&end
#
# 0 AMB 20-2:3974 119 VAL HB 5.50 (# 3974:20 Single Ambig)
&rst
ixpk= 3974, nxpk= 20, iat= -1,1852, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1149,1150,2174,2175, 346, 347,1890,1891,
&end
#
# 0 AMB 20-2:3976 119 VAL MGX 5.50 (# 3976:20 Single Ambig)
&rst
ixpk= 3976, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 965,1841,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 75 MET HN 119 VAL MGX 5.50 (# 3977:20 Unique 3.84, 5.89 A)
&rst
ixpk= 3977, nxpk= 20, iat=1145, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 0 AMB 20-2:3978 0 AMB 20-1:3978 5.50 (# 3978:20 Double Ambig)
&rst
ixpk= 3978, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1= 322, 323,1109,1110,
igr2= 302, 303, 304, 306, 307, 308,1854,1855,1856,1858,
1859,1860,
&end
#
# 0 AMB 20-2:3979 119 VAL MGX 2.80 (# 3979:20 Single Ambig)
&rst
ixpk= 3979, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1135,1136,2120,2121,2120,2121,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 0 AMB 20-2:3980 119 VAL MGY 5.50 (# 3980:20 Single Ambig)
&rst
ixpk= 3980, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1841,1128,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 74 MET HA 119 VAL MGY 5.50 (# 3981:20 Unique 3.54, 4.85 A)
&rst
ixpk= 3981, nxpk= 20, iat=1130, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 74 MET HG- 119 VAL MGY 5.50 (# 3982:20 Unique 3.18, 6.44 A)
&rst
ixpk= 3982, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1135,1136,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 0 AMB 20-2:3983 119 VAL MGY 2.80 (# 3983:20 Single Ambig)
&rst
ixpk= 3983, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1135,1136,2120,2121,2120,2121,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 72 GLY HN 120 ILE MD1 5.50 (# 3984:20 Unique 4.33, 5.95 A)
&rst
ixpk= 3984, nxpk= 20, iat=1107, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1877,1878,1879,
&end
#
# 0 AMB 20-2:3985 120 ILE MD1 5.50 (# 3985:20 Single Ambig)
&rst
ixpk= 3985, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1841,1128,
igr2=1877,1878,1879,
&end
#
# 66 SER HN 120 ILE MD1 5.50 (# 3986:20 Unique 3.41, 4.63 A)
&rst
ixpk= 3986, nxpk= 20, iat=1010, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1877,1878,1879,
&end
#
# 66 SER HB- 120 ILE MD1 5.50 (# 3988:20 Unique 5.78, 7.38 A)
&rst
ixpk= 3988, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1014,1015,
igr2=1877,1878,1879,
&end
#
# 69 ASN HB+ 120 ILE MD1 4.50 (# 3989:20 Unique 2.47, 4.29 A)
&rst
ixpk= 3989, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1069,1070,
igr2=1877,1878,1879,
&end
#
# 75 MET ME 120 ILE MD1 3.50 (# 3991:20 Unique 2.45, 4.29 A)
&rst
ixpk= 3991, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1156,1157,1158,
igr2=1877,1878,1879,
&end
#
# 0 AMB 20-2:3992 120 ILE MD1 2.80 (# 3992:20 Single Ambig)
&rst
ixpk= 3992, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1874,1875,1874,1875,
igr2=1877,1878,1879,
&end
#
# 66 SER HB- 120 ILE MG2 5.50 (# 3994:20 Unique 4.56, 7.46 A)
&rst
ixpk= 3994, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1014,1015,
igr2=1870,1871,1872,
&end
#
# 0 AMB 20-2:3995 120 ILE MG2 4.50 (# 3995:20 Single Ambig)
&rst
ixpk= 3995, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1025,1026,1890,1891,
igr2=1870,1871,1872,
&end
#
# 0 AMB 20-2:3996 121 PRO HA 5.50 (# 3996:20 Single Ambig)
&rst
ixpk= 3996, nxpk= 20, iat= -1,1893, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=2039,2040,2041,1927,1928,
&end
#
# 0 AMB 20-2:3997 121 PRO HA 2.80 (# 3997:20 Single Ambig)
&rst
ixpk= 3997, nxpk= 20, iat= -1,1893, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2081,2082,2083,2085,2086,2087,2081,2082,2083,2085,
2086,2087,
&end
#
# 0 AMB 20-2:3998 121 PRO HB- 5.50 (# 3998:20 Single Ambig)
&rst
ixpk= 3998, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 235,1866,
igr2=1890,1891,
&end
#
# 15 ASP HB+ 121 PRO HB+ 5.50 (# 3999:20 Unique 1.89, 2.76 A)
&rst
ixpk= 3999, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 237, 238,
igr2=1890,1891,
&end
#
# 15 ASP HB- 121 PRO HB+ 5.50 (# 4000:20 Unique 1.89, 2.76 A)
&rst
ixpk= 4000, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 237, 238,
igr2=1890,1891,
&end
#
# 0 AMB 20-2:4001 0 AMB 20-1:4001 5.50 (# 4001:20 Double Ambig)
&rst
ixpk= 4001, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1866,1925,
igr2=1887,1888,1887,1888,
&end
#
# 101 LEU HA 101 LEU HG 5.50 (# 4002:20 Unique 3.65, 3.67 A)
&rst
ixpk= 4002, nxpk= 20, iat=1558,1563, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:4005 0 AMB 20-1:4005 2.80 (# 4005:20 Double Ambig)
&rst
ixpk= 4005, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1932,1933,1934,1936,1937,1938,2023,2024,2025,2027,
2028,2029,
igr2=1887,1888,2021,
&end
#
# 101 LEU MDX 101 LEU HG 3.50 (# 4006:20 Unique 2.23, 2.63 A)
&rst
ixpk= 4006, nxpk= 20, iat= -1,1563, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1565,1566,1567,1569,1570,1571,
&end
#
# 64 ILE HN 121 PRO HD+ 5.50 (# 4007:20 Unique 2.58, 3.82 A)
&rst
ixpk= 4007, nxpk= 20, iat= 975, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1884,1885,
&end
#
# 64 ILE HN 121 PRO HD- 5.50 (# 4008:20 Unique 2.58, 3.82 A)
&rst
ixpk= 4008, nxpk= 20, iat= 975, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1884,1885,
&end
#
# 120 ILE HA 121 PRO HD+ 2.80 (# 4009:20 Unique 1.91, 2.17 A)
&rst
ixpk= 4009, nxpk= 20, iat=1866, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1884,1885,
&end
#
# 120 ILE HA 121 PRO HD- 2.80 (# 4010:20 Unique 1.91, 2.17 A)
&rst
ixpk= 4010, nxpk= 20, iat=1866, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1884,1885,
&end
#
# 0 AMB 20-2:4011 0 AMB 20-1:4011 5.50 (# 4011:20 Double Ambig)
&rst
ixpk= 4011, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=1000,1001,1002,1004,1005,1006,1000,1001,1002,1004,
1005,1006,
igr2=1884,1885,1884,1885,
&end
#
# 123 SER HN 122 GLU HG- 5.50 (# 4012:20 Unique 2.48, 3.74 A)
&rst
ixpk= 4012, nxpk= 20, iat=1912, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1904,1905,
&end
#
# 122 GLU HB+ 122 GLU HG- 2.80 (# 4013:20 Unique 2.21, 2.64 A)
&rst
ixpk= 4013, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1901,1902,
igr2=1904,1905,
&end
#
# 122 GLU HB+ 122 GLU HG+ 4.50 (# 4014:20 Unique 2.21, 2.64 A)
&rst
ixpk= 4014, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1901,1902,
igr2=1904,1905,
&end
#
# 122 GLU HB- 122 GLU HG+ 3.50 (# 4015:20 Unique 2.21, 2.64 A)
&rst
ixpk= 4015, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1901,1902,
igr2=1904,1905,
&end
#
# 122 GLU HB- 122 GLU HG- 2.80 (# 4016:20 Unique 2.21, 2.64 A)
&rst
ixpk= 4016, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1901,1902,
igr2=1904,1905,
&end
#
# 131 THR MG2 122 GLU HG- 4.50 (# 4017:20 Unique 1.88, 4.35 A)
&rst
ixpk= 4017, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2039,2040,2041,
igr2=1904,1905,
&end
#
# 131 THR MG2 122 GLU HG+ 4.50 (# 4018:20 Unique 1.88, 4.35 A)
&rst
ixpk= 4018, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2039,2040,2041,
igr2=1904,1905,
&end
#
# 121 PRO HA 124 LEU MDX 5.50 (# 4020:20 Unique 4.39, 6.59 A)
&rst
ixpk= 4020, nxpk= 20, iat=1893, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1932,1933,1934,1936,1937,1938,
&end
#
# 16 GLU HA 124 LEU MDX 4.50 (# 4022:20 Unique 2.52, 5.17 A)
&rst
ixpk= 4022, nxpk= 20, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1932,1933,1934,1936,1937,1938,
&end
#
# 0 AMB 20-2:4024 124 LEU MDX 2.80 (# 4024:20 Single Ambig)
&rst
ixpk= 4024, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1890,1891,1927,1928,
igr2=1932,1933,1934,1936,1937,1938,
&end
#
# 0 AMB 20-2:4025 124 LEU MDX 2.80 (# 4025:20 Single Ambig)
&rst
ixpk= 4025, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1887,1888,1890,1891,
igr2=1932,1933,1934,1936,1937,1938,
&end
#
# 0 AMB 20-2:4026 124 LEU MDX 2.80 (# 4026:20 Single Ambig)
&rst
ixpk= 4026, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 204, 205,1930,
igr2=1932,1933,1934,1936,1937,1938,
&end
#
# 124 LEU HN 125 GLU HG+ 5.50 (# 4027:20 Unique 3.71, 4.63 A)
&rst
ixpk= 4027, nxpk= 20, iat=1923, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1949,1950,
&end
#
# 124 LEU HN 125 GLU HG- 5.50 (# 4028:20 Unique 3.71, 4.63 A)
&rst
ixpk= 4028, nxpk= 20, iat=1923, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1949,1950,
&end
#
# 125 GLU HB+ 125 GLU HG+ 2.80 (# 4029:20 Unique 2.21, 2.67 A)
&rst
ixpk= 4029, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1946,1947,
igr2=1949,1950,
&end
#
# 125 GLU HB+ 125 GLU HG- 2.80 (# 4030:20 Unique 2.21, 2.67 A)
&rst
ixpk= 4030, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1946,1947,
igr2=1949,1950,
&end
#
# 127 HIS HN 126 PRO HB+ 5.50 (# 4031:20 Unique 4.17, 4.41 A)
&rst
ixpk= 4031, nxpk= 20, iat=1971, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1964,1965,
&end
#
# 127 HIS HN 126 PRO HB- 5.50 (# 4032:20 Unique 4.17, 4.41 A)
&rst
ixpk= 4032, nxpk= 20, iat=1971, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1964,1965,
&end
#
# 126 PRO HD- 126 PRO HB+ 4.50 (# 4033:20 Unique 2.98, 3.70 A)
&rst
ixpk= 4033, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1958,1959,
igr2=1964,1965,
&end
#
# 0 AMB 20-2:4034 126 PRO HB- 2.80 (# 4034:20 Single Ambig)
&rst
ixpk= 4034, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1961,1962,1961,1962,
igr2=1964,1965,
&end
#
# 0 AMB 20-2:4035 0 AMB 20-1:4035 5.50 (# 4035:20 Double Ambig)
&rst
ixpk= 4035, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1967, 202,
igr2=1958,1959,1958,1959,
&end
#
# 0 AMB 20-2:4036 126 PRO HD- 5.50 (# 4036:20 Single Ambig)
&rst
ixpk= 4036, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1967, 202,
igr2=1958,1959,
&end
#
# 125 GLU HA 126 PRO HD+ 2.80 (# 4037:20 Unique 2.03, 2.27 A)
&rst
ixpk= 4037, nxpk= 20, iat=1944, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1958,1959,
&end
#
# 125 GLU HA 126 PRO HD- 2.80 (# 4038:20 Unique 2.03, 2.27 A)
&rst
ixpk= 4038, nxpk= 20, iat=1944, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1958,1959,
&end
#
# 0 AMB 20-2:4039 0 AMB 20-1:4039 5.50 (# 4039:20 Double Ambig)
&rst
ixpk= 4039, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1949,1950,1949,1950,
igr2=1958,1959,1958,1959,
&end
#
# 13 LEU MDX 126 PRO HD- 5.50 (# 4040:20 Unique 3.40, 6.31 A)
&rst
ixpk= 4040, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 209, 210, 211, 213, 214, 215,
igr2=1958,1959,
&end
#
# 127 HIS HA 127 HIS HB+ 3.50 (# 4042:20 Unique 2.24, 2.58 A)
&rst
ixpk= 4042, nxpk= 20, iat=1973, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1975,1976,
&end
#
# 128 ILE HG1- 128 ILE HA 3.50 (# 4043:20 Unique 2.27, 3.15 A)
&rst
ixpk= 4043, nxpk= 20, iat= -1,1990, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1998,1999,
&end
#
# 0 AMB 20-2:4044 128 ILE MD1 4.50 (# 4044:20 Single Ambig)
&rst
ixpk= 4044, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1990,1973,
igr2=2001,2002,2003,
&end
#
# 129 GLY HN 128 ILE MG2 3.50 (# 4045:20 Unique 1.93, 3.68 A)
&rst
ixpk= 4045, nxpk= 20, iat=2007, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1994,1995,1996,
&end
#
# 129 GLY HA- 128 ILE MG2 5.50 (# 4047:20 Unique 3.41, 5.01 A)
&rst
ixpk= 4047, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2009,2010,
igr2=1994,1995,1996,
&end
#
# 131 THR HN 130 LEU HB+ 5.50 (# 4049:20 Unique 2.15, 3.39 A)
&rst
ixpk= 4049, nxpk= 20, iat=2033, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2018,2019,
&end
#
# 131 THR HN 130 LEU HB- 5.50 (# 4050:20 Unique 2.15, 3.39 A)
&rst
ixpk= 4050, nxpk= 20, iat=2033, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2018,2019,
&end
#
# 131 THR HN 130 LEU MDX 5.50 (# 4052:20 Unique 3.38, 5.22 A)
&rst
ixpk= 4052, nxpk= 20, iat=2033, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2023,2024,2025,2027,2028,2029,
&end
#
# 130 LEU HG 130 LEU MDX 2.80 (# 4054:20 Unique 2.22, 2.63 A)
&rst
ixpk= 4054, nxpk= 20, iat=2021, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=2023,2024,2025,2027,2028,2029,
&end
#
# 0 AMB 20-2:4055 130 LEU MDX 2.80 (# 4055:20 Single Ambig)
&rst
ixpk= 4055, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 319, 320, 264, 265, 266,
igr2=2023,2024,2025,2027,2028,2029,
&end
#
# 131 THR HN 130 LEU MDY 5.50 (# 4056:20 Unique 3.38, 5.22 A)
&rst
ixpk= 4056, nxpk= 20, iat=2033, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2023,2024,2025,2027,2028,2029,
&end
#
# 0 AMB 20-2:4057 130 LEU MDY 5.50 (# 4057:20 Single Ambig)
&rst
ixpk= 4057, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2007,2091,
igr2=2023,2024,2025,2027,2028,2029,
&end
#
# 15 ASP HA 130 LEU MDY 5.50 (# 4058:20 Unique 1.97, 4.64 A)
&rst
ixpk= 4058, nxpk= 20, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2023,2024,2025,2027,2028,2029,
&end
#
# 135 GLU HG+ 130 LEU MDY 3.50 (# 4060:20 Unique 2.53, 5.42 A)
&rst
ixpk= 4060, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2098,2099,
igr2=2023,2024,2025,2027,2028,2029,
&end
#
# 18 ILE HG1- 130 LEU MDY 5.50 (# 4061:20 Unique 3.87, 6.19 A)
&rst
ixpk= 4061, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 280, 281,
igr2=2023,2024,2025,2027,2028,2029,
&end
#
# 132 PRO HD- 131 THR HB 3.50 (# 4064:20 Unique 1.57, 2.47 A)
&rst
ixpk= 4064, nxpk= 20, iat= -1,2037, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2048,2049,
&end
#
# 132 PRO HD+ 131 THR HB 3.50 (# 4065:20 Unique 1.57, 2.47 A)
&rst
ixpk= 4065, nxpk= 20, iat= -1,2037, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2048,2049,
&end
#
# 131 THR HG1 131 THR HB 5.50 (# 4066:20 Unique 2.11, 2.49 A)
&rst
ixpk= 4066, nxpk= 20, iat=2043,2037, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 134 VAL HN 131 THR HB 5.50 (# 4067:20 Unique 2.72, 3.70 A)
&rst
ixpk= 4067, nxpk= 20, iat=2075,2037, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 131 THR HN 131 THR HB 5.50 (# 4068:20 Unique 2.28, 3.49 A)
&rst
ixpk= 4068, nxpk= 20, iat=2033,2037, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:4069 132 PRO HA 5.50 (# 4069:20 Single Ambig)
&rst
ixpk= 4069, nxpk= 20, iat= -1,2057, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2039,2040,2041,2110,2111,2112,
&end
#
# 0 AMB 20-2:4070 132 PRO HA 4.50 (# 4070:20 Single Ambig)
&rst
ixpk= 4070, nxpk= 20, iat= -1,2057, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2048,2049,2063,
&end
#
# 0 AMB 20-2:4071 132 PRO HA 5.50 (# 4071:20 Single Ambig)
&rst
ixpk= 4071, nxpk= 20, iat= -1,2057, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2048,2049,2065,
&end
#
# 136 ALA HN 132 PRO HA 5.50 (# 4072:20 Unique 4.22, 5.04 A)
&rst
ixpk= 4072, nxpk= 20, iat=2106,2057, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 133 THR HN 132 PRO HA 5.50 (# 4073:20 Unique 2.96, 3.28 A)
&rst
ixpk= 4073, nxpk= 20, iat=2061,2057, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 133 THR HN 132 PRO HD+ 5.50 (# 4074:20 Unique 2.67, 3.56 A)
&rst
ixpk= 4074, nxpk= 20, iat=2061, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2048,2049,
&end
#
# 133 THR HN 132 PRO HD- 5.50 (# 4075:20 Unique 2.67, 3.56 A)
&rst
ixpk= 4075, nxpk= 20, iat=2061, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2048,2049,
&end
#
# 0 AMB 20-2:4076 0 AMB 20-1:4076 4.50 (# 4076:20 Double Ambig)
&rst
ixpk= 4076, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2057,2177,
igr2=2048,2049,2168,2169,
&end
#
# 132 PRO HA 132 PRO HD+ 5.50 (# 4077:20 Unique 3.60, 3.85 A)
&rst
ixpk= 4077, nxpk= 20, iat=2057, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2048,2049,
&end
#
# 132 PRO HB+ 132 PRO HD+ 5.50 (# 4078:20 Unique 2.98, 3.70 A)
&rst
ixpk= 4078, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2054,2055,
igr2=2048,2049,
&end
#
# 131 THR HB 133 THR HB 5.50 (# 4079:20 Unique 3.27, 4.04 A)
&rst
ixpk= 4079, nxpk= 20, iat=2037,2065, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 122 GLU HN 133 THR MG2 5.50 (# 4080:20 Unique 4.49, 6.24 A)
&rst
ixpk= 4080, nxpk= 20, iat=1897, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2067,2068,2069,
&end
#
# 0 AMB 20-2:4081 133 THR MG2 5.50 (# 4081:20 Single Ambig)
&rst
ixpk= 4081, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1912,1864,
igr2=2067,2068,2069,
&end
#
# 0 AMB 20-2:4082 0 AMB 20-1:4082 5.50 (# 4082:20 Double Ambig)
&rst
ixpk= 4082, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
igr1=2106,1703,1711,
igr2=2067,2068,2069,1546,1547,1548,1550,1551,1552,
&end
#
# 0 AMB 20-2:4083 133 THR MG2 4.50 (# 4083:20 Single Ambig)
&rst
ixpk= 4083, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1899,1893,
igr2=2067,2068,2069,
&end
#
# 135 GLU HN 134 VAL MGX 5.50 (# 4084:20 Unique 3.70, 4.67 A)
&rst
ixpk= 4084, nxpk= 20, iat=2091, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2081,2082,2083,2085,2086,2087,
&end
#
# 0 AMB 20-2:4085 134 VAL MGX 5.50 (# 4085:20 Single Ambig)
&rst
ixpk= 4085, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2116, 260,
igr2=2081,2082,2083,2085,2086,2087,
&end
#
# 72 GLY HA+ 134 VAL MGX 5.50 (# 4086:20 Unique 2.59, 4.76 A)
&rst
ixpk= 4086, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1109,1110,
igr2=2081,2082,2083,2085,2086,2087,
&end
#
# 18 ILE HB 134 VAL MGX 2.80 (# 4087:20 Unique 2.13, 4.30 A)
&rst
ixpk= 4087, nxpk= 20, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=2081,2082,2083,2085,2086,2087,
&end
#
# 0 AMB 20-2:4088 134 VAL MGX 4.50 (# 4088:20 Single Ambig)
&rst
ixpk= 4088, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=2039,2040,2041,2018,2019,
igr2=2081,2082,2083,2085,2086,2087,
&end
#
# 130 LEU HB+ 135 GLU HA 4.50 (# 4089:20 Unique 1.95, 2.39 A)
&rst
ixpk= 4089, nxpk= 20, iat= -1,2093, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2018,2019,
&end
#
# 130 LEU MDX 135 GLU HA 4.50 (# 4090:20 Unique 1.98, 4.38 A)
&rst
ixpk= 4090, nxpk= 20, iat= -1,2093, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2023,2024,2025,2027,2028,2029,
&end
#
# 135 GLU HN 135 GLU HG- 5.50 (# 4091:20 Unique 4.33, 4.45 A)
&rst
ixpk= 4091, nxpk= 20, iat=2091, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2098,2099,
&end
#
# 136 ALA HN 135 GLU HG+ 5.50 (# 4092:20 Unique 3.84, 4.56 A)
&rst
ixpk= 4092, nxpk= 20, iat=2106, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2098,2099,
&end
#
# 54 ASN HD2+ 109 GLU HG- 5.50 (# 4093:20 Unique 1.98, 4.03 A)
&rst
ixpk= 4093, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 828, 829,
igr2=1687,1688,
&end
#
# 130 LEU HB- 135 GLU HG+ 4.50 (# 4094:20 Unique 1.99, 3.58 A)
&rst
ixpk= 4094, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2018,2019,
igr2=2098,2099,
&end
#
# 134 VAL HA 137 MET HG- 5.50 (# 4095:20 Unique 1.86, 2.94 A)
&rst
ixpk= 4095, nxpk= 20, iat=2077, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2123,2124,
&end
#
# 0 AMB 20-2:4096 137 MET HG- 5.50 (# 4096:20 Single Ambig)
&rst
ixpk= 4096, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=2081,2082,2083,2085,2086,2087,2081,2082,2083,2085,
2086,2087,
igr2=2123,2124,
&end
#
# 134 VAL MGX 137 MET HG+ 5.50 (# 4097:20 Unique 1.93, 4.54 A)
&rst
ixpk= 4097, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2081,2082,2083,2085,2086,2087,
igr2=2123,2124,
&end
#
# 0 AMB 20-2:4098 0 AMB 20-1:4098 5.50 (# 4098:20 Double Ambig)
&rst
ixpk= 4098, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2229,2230,2156,2157,
igr2=2244,2135,
&end
#
# 0 AMB 20-2:4099 0 AMB 20-1:4099 5.50 (# 4099:20 Double Ambig)
&rst
ixpk= 4099, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1= 280, 281,1798,1799,1800,
igr2=2135,2244,
&end
#
# 22 ILE HA 138 ILE MD1 5.50 (# 4100:20 Unique 2.65, 4.04 A)
&rst
ixpk= 4100, nxpk= 20, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2146,2147,2148,
&end
#
# 138 ILE HA 138 ILE MD1 4.50 (# 4101:20 Unique 2.00, 3.28 A)
&rst
ixpk= 4101, nxpk= 20, iat=2135, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2146,2147,2148,
&end
#
# 21 ARG HD- 138 ILE MD1 5.50 (# 4102:20 Unique 3.94, 5.67 A)
&rst
ixpk= 4102, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 322, 323,
igr2=2146,2147,2148,
&end
#
# 0 AMB 20-2:4103 138 ILE MG2 4.50 (# 4103:20 Single Ambig)
&rst
ixpk= 4103, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2159,2160,2159,2160,
igr2=2139,2140,2141,
&end
#
# 141 ALA HN 0 AMB 20-1:4104 5.50 (# 4104:20 Single Ambig)
&rst
ixpk= 4104, nxpk= 20, iat=2181, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=2159,2160,2159,2160,
&end
#
# 138 ILE HN 0 AMB 20-1:4105 5.50 (# 4105:20 Single Ambig)
&rst
ixpk= 4105, nxpk= 20, iat=2133, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=2159,2160,2159,2160,
&end
#
# 140 PRO HD- 140 PRO HA 4.50 (# 4106:20 Unique 3.60, 3.85 A)
&rst
ixpk= 4106, nxpk= 20, iat= -1,2177, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2168,2169,
&end
#
# 0 AMB 20-2:4107 140 PRO HB- 5.50 (# 4107:20 Single Ambig)
&rst
ixpk= 4107, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2183,2154,
igr2=2174,2175,
&end
#
# 140 PRO HD- 140 PRO HB- 5.50 (# 4108:20 Unique 2.98, 3.70 A)
&rst
ixpk= 4108, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2168,2169,
igr2=2174,2175,
&end
#
# 140 PRO HD+ 140 PRO HB- 4.50 (# 4109:20 Unique 2.98, 3.70 A)
&rst
ixpk= 4109, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2168,2169,
igr2=2174,2175,
&end
#
# 140 PRO HB- 140 PRO HG+ 2.80 (# 4112:20 Unique 2.32, 2.58 A)
&rst
ixpk= 4112, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2174,2175,
igr2=2171,2172,
&end
#
# 141 ALA HN 140 PRO HD- 5.50 (# 4114:20 Unique 2.67, 3.27 A)
&rst
ixpk= 4114, nxpk= 20, iat=2181, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2168,2169,
&end
#
# 137 MET HA 140 PRO HD- 4.50 (# 4115:20 Unique 2.48, 3.08 A)
&rst
ixpk= 4115, nxpk= 20, iat=2118, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2168,2169,
&end
#
# 137 MET HA 140 PRO HD+ 3.50 (# 4116:20 Unique 2.48, 3.08 A)
&rst
ixpk= 4116, nxpk= 20, iat=2118, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2168,2169,
&end
#
# 0 AMB 20-2:4117 0 AMB 20-1:4117 5.50 (# 4117:20 Double Ambig)
&rst
ixpk= 4117, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2154,2108,2183,
igr2=2168,2169,2168,2169,2168,2169,
&end
#
# 0 AMB 20-2:4118 140 PRO HD- 4.50 (# 4118:20 Single Ambig)
&rst
ixpk= 4118, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2154,2108,
igr2=2168,2169,
&end
#
# 0 AMB 20-2:4120 142 LEU HA 5.50 (# 4120:20 Single Ambig)
&rst
ixpk= 4120, nxpk= 20, iat= -1,2193, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 403, 390, 391, 392, 454, 455,
&end
#
# 0 AMB 20-2:4121 0 AMB 20-1:4121 4.50 (# 4121:20 Double Ambig)
&rst
ixpk= 4121, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
igr1= 534, 535, 403, 454, 455, 454, 455, 390, 391, 392,
igr2= 49,2195,2196,2195,2196,2195,2196,2195,2196,
&end
#
# 146 LEU MDX 0 AMB 20-1:4122 5.50 (# 4122:20 Single Ambig)
&rst
ixpk= 4122, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=2267,2268,2269,2271,2272,2273,
igr2=2195,2196,2195,2196,
&end
#
# 142 LEU HN 0 AMB 20-1:4123 5.50 (# 4123:20 Single Ambig)
&rst
ixpk= 4123, nxpk= 20, iat=2191, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr2=2200,2201,2202,2204,2205,2206,2200,2201,2202,2204,
2205,2206,
&end
#
# 140 PRO HA 143 GLU HB- 3.50 (# 4126:20 Unique 2.70, 3.65 A)
&rst
ixpk= 4126, nxpk= 20, iat=2177, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2214,2215,
&end
#
# 140 PRO HA 143 GLU HG- 4.50 (# 4127:20 Unique 3.43, 4.17 A)
&rst
ixpk= 4127, nxpk= 20, iat=2177, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2217,2218,
&end
#
# 144 GLN HE2+ 144 GLN HG+ 5.50 (# 4128:20 Unique 2.14, 3.35 A)
&rst
ixpk= 4128, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2237,2238,
igr2=2232,2233,
&end
#
# 144 GLN HE2+ 144 GLN HG- 5.50 (# 4129:20 Unique 2.14, 3.35 A)
&rst
ixpk= 4129, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2237,2238,
igr2=2232,2233,
&end
#
# 0 AMB 20-2:4130 0 AMB 20-1:4130 2.80 (# 4130:20 Double Ambig)
&rst
ixpk= 4130, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=2229,2230,1135,1136,
igr2=2232,2233,2232,2233,
&end
#
# 0 AMB 20-2:4131 144 GLN HG- 2.80 (# 4131:20 Single Ambig)
&rst
ixpk= 4131, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=2229,2230,1135,1136,
igr2=2232,2233,
&end
#
# 74 MET ME 144 GLN HG- 3.50 (# 4132:20 Unique 1.99, 3.79 A)
&rst
ixpk= 4132, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1139,1140,1141,
igr2=2232,2233,
&end
#
# 74 MET ME 144 GLN HG+ 4.50 (# 4133:20 Unique 1.99, 3.79 A)
&rst
ixpk= 4133, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1139,1140,1141,
igr2=2232,2233,
&end
#
# 0 AMB 20-2:4134 144 GLN HG- 5.50 (# 4134:20 Single Ambig)
&rst
ixpk= 4134, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1172,1173,1172,1173,
igr2=2232,2233,
&end
#
# 0 AMB 20-2:4135 0 AMB 20-1:4135 4.50 (# 4135:20 Double Ambig)
&rst
ixpk= 4135, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
igr1=1175,1176,1177,1831,1832,1833,1835,1836,1837,2248,
2249,2250,2252,2253,2254,
igr2=2232,2233,2232,2233,2232,2233,
&end
#
# 146 LEU HN 145 VAL HA 5.50 (# 4136:20 Unique 3.56, 3.56 A)
&rst
ixpk= 4136, nxpk= 20, iat=2258,2244, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:4137 145 VAL MGY 5.50 (# 4137:20 Single Ambig)
&rst
ixpk= 4137, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2297,2210,
igr2=2248,2249,2250,2252,2253,2254,
&end
#
# 145 VAL HA 145 VAL MGY 3.50 (# 4138:20 Unique 2.24, 3.11 A)
&rst
ixpk= 4138, nxpk= 20, iat=2244, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2248,2249,2250,2252,2253,2254,
&end
#
# 59 ILE MD1 145 VAL MGY 4.50 (# 4139:20 Unique 1.97, 5.16 A)
&rst
ixpk= 4139, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 918, 919, 920,
igr2=2248,2249,2250,2252,2253,2254,
&end
#
# 146 LEU MDY 145 VAL MGY 5.50 (# 4140:20 Unique 3.10, 7.11 A)
&rst
ixpk= 4140, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=2267,2268,2269,2271,2272,2273,
igr2=2248,2249,2250,2252,2253,2254,
&end
#
# 146 LEU HA 146 LEU HG 5.50 (# 4141:20 Unique 2.92, 3.07 A)
&rst
ixpk= 4141, nxpk= 20, iat=2260,2265, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 145 VAL HB 146 LEU HG 5.50 (# 4142:20 Unique 3.05, 3.22 A)
&rst
ixpk= 4142, nxpk= 20, iat=2246,2265, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 146 LEU HB+ 146 LEU HG 2.80 (# 4143:20 Unique 2.30, 2.77 A)
&rst
ixpk= 4143, nxpk= 20, iat= -1,2265, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2262,2263,
&end
#
# 0 AMB 20-2:4144 146 LEU MDX 5.50 (# 4144:20 Single Ambig)
&rst
ixpk= 4144, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=2227, 494,2318, 388,
igr2=2267,2268,2269,2271,2272,2273,
&end
#
# 145 VAL HB 146 LEU MDX 5.50 (# 4145:20 Unique 2.04, 5.16 A)
&rst
ixpk= 4145, nxpk= 20, iat=2246, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2267,2268,2269,2271,2272,2273,
&end
#
# 0 AMB 20-2:4146 146 LEU MDX 4.50 (# 4146:20 Single Ambig)
&rst
ixpk= 4146, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1= 405, 406, 407, 409, 410, 411, 520, 521, 522, 524,
525, 526,
igr2=2267,2268,2269,2271,2272,2273,
&end
#
# 146 LEU HB+ 147 ALA MB 4.50 (# 4147:20 Unique 4.18, 5.57 A)
&rst
ixpk= 4147, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2262,2263,
igr2=2281,2282,2283,
&end
#
# 0 AMB 20-2:4148 148 ALA MB 5.50 (# 4148:20 Single Ambig)
&rst
ixpk= 4148, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1792, 83,
igr2=2291,2292,2293,
&end
#
# 0 AMB 20-2:4150 148 ALA MB 4.50 (# 4150:20 Single Ambig)
&rst
ixpk= 4150, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2301,2302,2320,2321,
igr2=2291,2292,2293,
&end
#
# 0 AMB 20-2:4151 148 ALA MB 4.50 (# 4151:20 Single Ambig)
&rst
ixpk= 4151, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2344,2345,2229,2230,
igr2=2291,2292,2293,
&end
#
# 150 ARG HN 149 LEU HB+ 5.50 (# 4152:20 Unique 2.39, 2.81 A)
&rst
ixpk= 4152, nxpk= 20, iat=2316, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2301,2302,
&end
#
# 150 ARG HN 149 LEU HB- 5.50 (# 4153:20 Unique 2.39, 2.81 A)
&rst
ixpk= 4153, nxpk= 20, iat=2316, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2301,2302,
&end
#
# 154 VAL HB 149 LEU HB+ 4.50 (# 4154:20 Unique 1.88, 2.78 A)
&rst
ixpk= 4154, nxpk= 20, iat=2377, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2301,2302,
&end
#
# 149 LEU HG 149 LEU HB+ 4.50 (# 4155:20 Unique 2.23, 2.76 A)
&rst
ixpk= 4155, nxpk= 20, iat=2304, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2301,2302,
&end
#
# 150 ARG HN 149 LEU HA 5.50 (# 4156:20 Unique 3.55, 3.56 A)
&rst
ixpk= 4156, nxpk= 20, iat=2316,2299, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:4157 149 LEU HA 5.50 (# 4157:20 Single Ambig)
&rst
ixpk= 4157, nxpk= 20, iat= -1,2299, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 879,2340,2366,
&end
#
# 0 AMB 20-2:4158 149 LEU MDY 3.50 (# 4158:20 Single Ambig)
&rst
ixpk= 4158, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2301,2302, 58, 59, 60,
igr2=2306,2307,2308,2310,2311,2312,
&end
#
# 146 LEU HG 149 LEU MDY 5.50 (# 4159:20 Unique 4.58, 6.53 A)
&rst
ixpk= 4159, nxpk= 20, iat=2265, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2306,2307,2308,2310,2311,2312,
&end
#
# 156 ALA MB 149 LEU MDY 3.50 (# 4160:20 Unique 3.32, 6.25 A)
&rst
ixpk= 4160, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2408,2409,2410,
igr2=2306,2307,2308,2310,2311,2312,
&end
#
# 59 ILE MD1 149 LEU MDY 4.50 (# 4161:20 Unique 1.94, 3.91 A)
&rst
ixpk= 4161, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 918, 919, 920,
igr2=2306,2307,2308,2310,2311,2312,
&end
#
# 146 LEU MDY 149 LEU MDY 3.50 (# 4162:20 Unique 3.42, 7.09 A)
&rst
ixpk= 4162, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2267,2268,2269,2271,2272,2273,
igr2=2306,2307,2308,2310,2311,2312,
&end
#
# 59 ILE MD1 149 LEU MDX 2.80 (# 4163:20 Unique 1.94, 3.91 A)
&rst
ixpk= 4163, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 918, 919, 920,
igr2=2306,2307,2308,2310,2311,2312,
&end
#
# 150 ARG HN 150 ARG HG+ 5.50 (# 4164:20 Unique 2.07, 3.58 A)
&rst
ixpk= 4164, nxpk= 20, iat=2316, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2323,2324,
&end
#
# 150 ARG HD- 150 ARG HG+ 3.50 (# 4166:20 Unique 2.22, 2.68 A)
&rst
ixpk= 4166, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2326,2327,
igr2=2323,2324,
&end
#
# 151 GLU HG- 151 GLU HB+ 2.80 (# 4167:20 Unique 2.21, 2.65 A)
&rst
ixpk= 4167, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2347,2348,
igr2=2344,2345,
&end
#
# 0 AMB 20-2:4168 151 GLU HG- 5.50 (# 4168:20 Single Ambig)
&rst
ixpk= 4168, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2237,2238,2373,
igr2=2347,2348,
&end
#
# 0 AMB 20-2:4169 152 SER HA 4.50 (# 4169:20 Single Ambig)
&rst
ixpk= 4169, nxpk= 20, iat= -1,2357, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2368,2369,2318,
&end
#
# 0 AMB 20-2:4170 152 SER HB- 5.50 (# 4170:20 Single Ambig)
&rst
ixpk= 4170, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=2379,2380,2381,2383,2384,2385,1761,1762,
igr2=2359,2360,
&end
#
# 73 THR HN 72 GLY HA+ 5.50 (# 4171:20 Unique 2.73, 3.18 A)
&rst
ixpk= 4171, nxpk= 20, iat=1114, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1109,1110,
&end
#
# 0 AMB 20-2:4172 154 VAL MGX 2.80 (# 4172:20 Single Ambig)
&rst
ixpk= 4172, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 58, 59, 60,2301,2302,
igr2=2379,2380,2381,2383,2384,2385,
&end
#
# 155 GLU HB- 155 GLU HG- 2.80 (# 4173:20 Unique 2.21, 2.70 A)
&rst
ixpk= 4173, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2393,2394,
igr2=2396,2397,
&end
#
# 155 GLU HB- 155 GLU HG+ 2.80 (# 4174:20 Unique 2.21, 2.70 A)
&rst
ixpk= 4174, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2393,2394,
igr2=2396,2397,
&end
#
# 150 ARG HG+ 155 GLU HG- 5.50 (# 4175:20 Unique 4.13, 6.48 A)
&rst
ixpk= 4175, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2323,2324,
igr2=2396,2397,
&end
#
# 0 AMB 20-2:4176 0 AMB 20-1:4176 4.50 (# 4176:20 Double Ambig)
&rst
ixpk= 4176, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=2323,2324, 742,
igr2=2396,2397, 129,
&end
#
# 155 GLU HB+ 155 GLU HG- 2.80 (# 4177:20 Unique 2.21, 2.70 A)
&rst
ixpk= 4177, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2393,2394,
igr2=2396,2397,
&end
#
# 155 GLU HB+ 155 GLU HG+ 2.80 (# 4178:20 Unique 2.21, 2.70 A)
&rst
ixpk= 4178, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2393,2394,
igr2=2396,2397,
&end
#
# 0 AMB 20-2:4179 0 AMB 20-1:4179 5.50 (# 4179:20 Double Ambig)
&rst
ixpk= 4179, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2396,2397, 998,
igr2=2424,2425,1405,1406,
&end
#
# 157 ILE HN 157 ILE MD1 5.50 (# 4180:20 Unique 1.90, 3.96 A)
&rst
ixpk= 4180, nxpk= 20, iat=2414, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2427,2428,2429,
&end
#
# 157 ILE HG1+ 157 ILE MD1 2.80 (# 4182:20 Unique 2.20, 2.62 A)
&rst
ixpk= 4182, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=2424,2425,
igr2=2427,2428,2429,
&end
#
# 157 ILE HG1- 157 ILE MD1 2.80 (# 4183:20 Unique 2.20, 2.62 A)
&rst
ixpk= 4183, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=2424,2425,
igr2=2427,2428,2429,
&end
#
# 0 AMB 20-2:4184 157 ILE MG2 5.50 (# 4184:20 Single Ambig)
&rst
ixpk= 4184, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2443,2406,
igr2=2420,2421,2422,
&end
#
# 0 AMB 20-2:4185 158 PRO HA 4.50 (# 4185:20 Single Ambig)
&rst
ixpk= 4185, nxpk= 20, iat= -1,2443, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2434,2435,2449,
&end
#
# 30 TYR HB- 158 PRO HA 5.50 (# 4186:20 Unique 3.73, 4.39 A)
&rst
ixpk= 4186, nxpk= 20, iat= -1,2443, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 475, 476,
&end
#
# 30 TYR HB+ 158 PRO HA 5.50 (# 4187:20 Unique 3.73, 4.39 A)
&rst
ixpk= 4187, nxpk= 20, iat= -1,2443, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 475, 476,
&end
#
# 30 TYR HE 158 PRO HB+ 5.50 (# 4188:20 Unique 2.81, 5.23 A)
&rst
ixpk= 4188, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 481, 486,
igr2=2440,2441,
&end
#
# 30 TYR HE 158 PRO HB- 5.50 (# 4189:20 Unique 2.81, 5.23 A)
&rst
ixpk= 4189, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 481, 486,
igr2=2440,2441,
&end
#
# 0 AMB 20-2:4190 0 AMB 20-1:4190 4.50 (# 4190:20 Double Ambig)
&rst
ixpk= 4190, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=2498,2499,2498,2499,2434,2435,
igr2=2440,2441,2440,2441,2440,2441,
&end
#
# 157 ILE HG1- 158 PRO HD+ 5.50 (# 4192:20 Unique 3.78, 4.81 A)
&rst
ixpk= 4192, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2424,2425,
igr2=2434,2435,
&end
#
# 0 AMB 20-2:4193 0 AMB 20-1:4193 5.50 (# 4193:20 Double Ambig)
&rst
ixpk= 4193, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=2424,2425, 280, 281,
igr2=2434,2435,1884,1885,
&end
#
# 30 TYR HE 158 PRO HD+ 5.50 (# 4194:20 Unique 3.79, 6.70 A)
&rst
ixpk= 4194, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 481, 486,
igr2=2434,2435,
&end
#
# 159 ARG HB+ 159 ARG HG- 2.80 (# 4195:20 Unique 2.21, 2.65 A)
&rst
ixpk= 4195, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2451,2452,
igr2=2454,2455,
&end
#
# 159 ARG HB+ 159 ARG HG+ 2.80 (# 4196:20 Unique 2.21, 2.65 A)
&rst
ixpk= 4196, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2451,2452,
igr2=2454,2455,
&end
#
# 159 ARG HN 159 ARG HG- 5.50 (# 4197:20 Unique 4.49, 4.90 A)
&rst
ixpk= 4197, nxpk= 20, iat=2447, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2454,2455,
&end
#
# 31 ILE MD1 159 ARG HD+ 5.50 (# 4198:20 Unique 2.93, 5.45 A)
&rst
ixpk= 4198, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 505, 506, 507,
igr2=2457,2458,
&end
#
# 0 AMB 20-2:4199 0 AMB 20-1:4199 5.50 (# 4199:20 Double Ambig)
&rst
ixpk= 4199, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
igr1=1168,1169,1170, 505, 506, 507,1761,1762,
igr2=1210,1211,2457,2458,
&end
#
# 159 ARG HG- 159 ARG HD+ 3.50 (# 4200:20 Unique 2.22, 2.65 A)
&rst
ixpk= 4200, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2454,2455,
igr2=2457,2458,
&end
#
# 159 ARG HG- 159 ARG HD- 2.80 (# 4201:20 Unique 2.22, 2.65 A)
&rst
ixpk= 4201, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2454,2455,
igr2=2457,2458,
&end
#
# 159 ARG HB+ 159 ARG HD- 2.80 (# 4202:20 Unique 2.00, 3.21 A)
&rst
ixpk= 4202, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2451,2452,
igr2=2457,2458,
&end
#
# 159 ARG HE 159 ARG HD- 5.50 (# 4203:20 Unique 2.29, 2.64 A)
&rst
ixpk= 4203, nxpk= 20, iat=2460, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2457,2458,
&end
#
# 0 AMB 20-2:4205 159 ARG HD- 5.50 (# 4205:20 Single Ambig)
&rst
ixpk= 4205, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2447, 471,
igr2=2457,2458,
&end
#
# 161 ASP HB- 162 SER HA 5.50 (# 4206:20 Unique 3.99, 5.23 A)
&rst
ixpk= 4206, nxpk= 20, iat= -1,2496, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2486,2487,
&end
#
# 162 SER HN 0 AMB 20-1:4207 5.50 (# 4207:20 Single Ambig)
&rst
ixpk= 4207, nxpk= 20, iat=2494, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=2498,2499,2498,2499,
&end
#
# 120 ILE HN 137 MET ME 5.50 (# 4208:20 Unique 3.45, 4.86 A)
&rst
ixpk= 4208, nxpk= 20, iat=1864, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2127,2128,2129,
&end
#
# 0 AMB 20-2:4209 137 MET ME 5.50 (# 4209:20 Single Ambig)
&rst
ixpk= 4209, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1848,2106,
igr2=2127,2128,2129,
&end
#
# 137 MET HG+ 137 MET ME 3.50 (# 4210:20 Unique 2.34, 3.74 A)
&rst
ixpk= 4210, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2123,2124,
igr2=2127,2128,2129,
&end
#
# 137 MET HG- 137 MET ME 4.50 (# 4211:20 Unique 2.34, 3.74 A)
&rst
ixpk= 4211, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2123,2124,
igr2=2127,2128,2129,
&end
#
# 74 MET HB- 137 MET ME 2.80 (# 4212:20 Unique 1.93, 3.10 A)
&rst
ixpk= 4212, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1132,1133,
igr2=2127,2128,2129,
&end
#
# 0 AMB 20-2:4213 137 MET ME 5.50 (# 4213:20 Single Ambig)
&rst
ixpk= 4213, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1149,1150, 979,
igr2=2127,2128,2129,
&end
#
# 103 ALA MB 46 MET ME 2.80 (# 4217:20 Unique 2.81, 4.39 A)
&rst
ixpk= 4217, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1590,1591,1592,
igr2= 714, 715, 716,
&end
#
# 46 MET HG- 46 MET ME 3.50 (# 4218:20 Unique 2.35, 3.63 A)
&rst
ixpk= 4218, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 710, 711,
igr2= 714, 715, 716,
&end
#
# 46 MET HG+ 46 MET ME 3.50 (# 4219:20 Unique 2.35, 3.63 A)
&rst
ixpk= 4219, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 710, 711,
igr2= 714, 715, 716,
&end
#
# 99 ASP HB+ 46 MET ME 4.50 (# 4220:20 Unique 2.36, 4.51 A)
&rst
ixpk= 4220, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1532,1533,
igr2= 714, 715, 716,
&end
#
# 75 MET HB- 75 MET ME 2.80 (# 4221:20 Unique 1.99, 3.08 A)
&rst
ixpk= 4221, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1149,1150,
igr2=1156,1157,1158,
&end
#
# 74 MET HB- 74 MET ME 2.80 (# 4222:20 Unique 1.97, 3.90 A)
&rst
ixpk= 4222, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1132,1133,
igr2=1139,1140,1141,
&end
#
# 74 MET HB+ 74 MET ME 2.80 (# 4223:20 Unique 1.97, 3.90 A)
&rst
ixpk= 4223, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1132,1133,
igr2=1139,1140,1141,
&end
#
# 144 GLN HB+ 74 MET ME 2.80 (# 4224:20 Unique 1.98, 3.73 A)
&rst
ixpk= 4224, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=2229,2230,
igr2=1139,1140,1141,
&end
#
# 0 AMB 20-2:4225 74 MET ME 2.80 (# 4225:20 Single Ambig)
&rst
ixpk= 4225, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2232,2233,1135,1136,
igr2=1139,1140,1141,
&end
#
# 144 GLN HG+ 74 MET ME 3.50 (# 4226:20 Unique 1.99, 3.79 A)
&rst
ixpk= 4226, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2232,2233,
igr2=1139,1140,1141,
&end
#
# 67 LYS HE+ 75 MET ME 5.50 (# 4227:20 Unique 1.98, 3.70 A)
&rst
ixpk= 4227, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1034,1035,
igr2=1156,1157,1158,
&end
#
# 0 AMB 20-2:4228 74 MET ME 5.50 (# 4228:20 Single Ambig)
&rst
ixpk= 4228, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1145,2191,
igr2=1139,1140,1141,
&end
#
# 76 ILE HN 0 AMB 20-1:4229 5.50 (# 4229:20 Single Ambig)
&rst
ixpk= 4229, nxpk= 20, iat=1162, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1139,1140,1141,1156,1157,1158,
&end
#
# 0 AMB 20-2:4231 0 AMB 20-1:4231 5.50 (# 4231:20 Double Ambig)
&rst
ixpk= 4231, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1145,2191,
igr2=1156,1157,1158,1139,1140,1141,
&end
#
# 75 MET HA 75 MET ME 5.50 (# 4232:20 Unique 4.41, 5.27 A)
&rst
ixpk= 4232, nxpk= 20, iat=1147, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1156,1157,1158,
&end
#
# 0 AMB 20-2:4233 75 MET ME 5.50 (# 4233:20 Single Ambig)
&rst
ixpk= 4233, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1023,1012,1327,
igr2=1156,1157,1158,
&end
#
# 104 LEU HG 52 MET ME 2.80 (# 4234:20 Unique 2.66, 4.26 A)
&rst
ixpk= 4234, nxpk= 20, iat=1603, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 803, 804, 805,
&end
#
# 0 AMB 20-2:4236 52 MET ME 4.50 (# 4236:20 Single Ambig)
&rst
ixpk= 4236, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1777,1778,1719,1720,1503,1504,
igr2= 803, 804, 805,
&end
#
# 0 AMB 20-2:4238 52 MET ME 2.80 (# 4238:20 Single Ambig)
&rst
ixpk= 4238, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1546,1547,1548,1550,1551,1552,1546,1547,1548,1550,
1551,1552,
igr2= 803, 804, 805,
&end
#
# 0 AMB 20-2:4239 52 MET ME 2.80 (# 4239:20 Single Ambig)
&rst
ixpk= 4239, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1605,1606,1607,1609,1610,1611, 937, 938, 939, 895,
896, 897, 899, 900, 901,
igr2= 803, 804, 805,
&end
#
# 112 LYS HN 1 MET ME 5.50 (# 4241:20 Unique 7.53, 9.35 A)
&rst
ixpk= 4241, nxpk= 20, iat=1729, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 15, 16, 17,
&end
#
# 152 SER HA 1 MET ME 5.50 (# 4242:20 Unique 3.49, 4.61 A)
&rst
ixpk= 4242, nxpk= 20, iat=2357, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 15, 16, 17,
&end
#
# 1 MET HA 1 MET ME 5.50 (# 4244:20 Unique 3.15, 5.48 A)
&rst
ixpk= 4244, nxpk= 20, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 15, 16, 17,
&end
#
# 152 SER HB- 1 MET ME 5.50 (# 4245:20 Unique 1.95, 3.40 A)
&rst
ixpk= 4245, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2359,2360,
igr2= 15, 16, 17,
&end
#
# 0 AMB 20-2:4247 1 MET ME 4.50 (# 4247:20 Single Ambig)
&rst
ixpk= 4247, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1755,1756,1755,1756,
igr2= 15, 16, 17,
&end
#
# 0 AMB 20-2:4248 1 MET ME 4.50 (# 4248:20 Single Ambig)
&rst
ixpk= 4248, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=2304, 837, 838,1736,1737,
igr2= 15, 16, 17,
&end
#
# 0 AMB 20-2:4249 1 MET ME 3.50 (# 4249:20 Single Ambig)
&rst
ixpk= 4249, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2377, 28, 29,
igr2= 15, 16, 17,
&end
#
# 3 ILE MD1 1 MET ME 3.50 (# 4250:20 Unique 1.96, 3.52 A)
&rst
ixpk= 4250, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 58, 59, 60,
igr2= 15, 16, 17,
&end
#
# 49 LEU HN 49 LEU HG 5.50 (# 4251:20 Unique 1.80, 4.09 A)
&rst
ixpk= 4251, nxpk= 20, iat= 754, 761, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 156 ALA HA 157 ILE HG1+ 4.50 (# 4252:20 Unique 3.45, 4.38 A)
&rst
ixpk= 4252, nxpk= 20, iat=2406, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2424,2425,
&end
#
# 0 AMB 20-2:4253 0 AMB 20-1:4253 4.50 (# 4253:20 Double Ambig)
&rst
ixpk= 4253, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 660, 661, 494,
igr2= 742,2424,2425,
&end
#
# 49 LEU HA 49 LEU HG 4.50 (# 4254:20 Unique 2.18, 2.32 A)
&rst
ixpk= 4254, nxpk= 20, iat= 756, 761, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:4255 0 AMB 20-1:4255 2.80 (# 4255:20 Double Ambig)
&rst
ixpk= 4255, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 758, 759, 496,
igr2= 761,2424,2425,
&end
#
# 0 AMB 20-2:4257 0 AMB 20-1:4257 2.80 (# 4257:20 Double Ambig)
&rst
ixpk= 4257, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=1605,1606,1607,1609,1610,1611, 131, 132, 133, 135,
136, 137, 131, 132, 133, 135, 136, 137, 763, 764,
765, 767, 768, 769, 744, 745, 746, 748, 749, 750,
744, 745, 746, 748, 749, 750,
igr2= 761, 742,
&end
#
# 0 AMB 20-2:4258 0 AMB 20-1:4258 2.80 (# 4258:20 Double Ambig)
&rst
ixpk= 4258, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1546,1547,1548,1550,1551,1552,2420,2421,2422, 763,
764, 765, 767, 768, 769,
igr2= 761,2424,2425,
&end
#
# 124 LEU HA 124 LEU HG 5.50 (# 4259:20 Unique 2.53, 2.74 A)
&rst
ixpk= 4259, nxpk= 20, iat=1925,1930, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 142 LEU HA 142 LEU HG 4.50 (# 4260:20 Unique 2.78, 2.97 A)
&rst
ixpk= 4260, nxpk= 20, iat=2193,2198, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:4262 142 LEU HG 2.80 (# 4262:20 Single Ambig)
&rst
ixpk= 4262, nxpk= 20, iat= -1,2198, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2200,2201,2202,2204,2205,2206,2200,2201,2202,2204,
2205,2206,
&end
#
# 146 LEU MDX 142 LEU HG 5.50 (# 4263:20 Unique 5.53, 7.13 A)
&rst
ixpk= 4263, nxpk= 20, iat= -1,2198, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2267,2268,2269,2271,2272,2273,
&end
#
# 82 VAL MGY 82 VAL HA 2.80 (# 4264:20 Unique 2.95, 3.63 A)
&rst
ixpk= 4264, nxpk= 20, iat= -1,1268, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1272,1273,1274,1276,1277,1278,
&end
#
# 132 PRO HB+ 132 PRO HA 2.80 (# 4265:20 Unique 2.30, 2.51 A)
&rst
ixpk= 4265, nxpk= 20, iat= -1,2057, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2054,2055,
&end
#
# 0 AMB 20-2:4268 0 AMB 20-1:4268 2.80 (# 4268:20 Double Ambig)
&rst
ixpk= 4268, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=2347,2348, 710, 711,
igr2=2342, 722,
&end
#
# 104 LEU HB- 101 LEU HA 5.50 (# 4269:20 Unique 2.28, 2.99 A)
&rst
ixpk= 4269, nxpk= 20, iat= -1,1558, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1600,1601,
&end
#
# 144 GLN HB+ 144 GLN HA 2.80 (# 4270:20 Unique 2.24, 2.76 A)
&rst
ixpk= 4270, nxpk= 20, iat= -1,2227, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2229,2230,
&end
#
# 0 AMB 20-2:4271 0 AMB 20-1:4271 5.50 (# 4271:20 Double Ambig)
&rst
ixpk= 4271, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1289,1290,1255,1256,
igr2=1283,1284,1283,1284,
&end
#
# 0 AMB 20-2:4272 0 AMB 20-1:4272 5.50 (# 4272:20 Double Ambig)
&rst
ixpk= 4272, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=2408,2409,2410,2420,2421,2422, 502, 503,
igr2= 531, 532, 531, 532, 531, 532,
&end
#
# 21 ARG HD+ 21 ARG HG- 5.50 (# 4275:20 Unique 2.25, 2.72 A)
&rst
ixpk= 4275, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 322, 323,
igr2= 319, 320,
&end
#
# 82 VAL MGY 83 PRO HD- 5.50 (# 4276:20 Unique 1.72, 3.06 A)
&rst
ixpk= 4276, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1272,1273,1274,1276,1277,1278,
igr2=1283,1284,
&end
#
# 0 AMB 20-2:4277 83 PRO HD- 3.50 (# 4277:20 Single Ambig)
&rst
ixpk= 4277, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1238,1253,
igr2=1283,1284,
&end
#
# 0 AMB 20-2:4278 0 AMB 20-1:4278 4.50 (# 4278:20 Double Ambig)
&rst
ixpk= 4278, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1238,1253,
igr2=1283,1284,1283,1284,
&end
#
# 84 ALA HN 83 PRO HD- 5.50 (# 4279:20 Unique 2.65, 3.28 A)
&rst
ixpk= 4279, nxpk= 20, iat=1296, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1283,1284,
&end
#
# 84 ALA HN 83 PRO HD+ 5.50 (# 4280:20 Unique 2.65, 3.28 A)
&rst
ixpk= 4280, nxpk= 20, iat=1296, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1283,1284,
&end
#
# 86 PHE HE 83 PRO HD+ 5.50 (# 4281:20 Unique 4.70, 6.63 A)
&rst
ixpk= 4281, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1335,1339,
igr2=1283,1284,
&end
#
# 69 ASN HN 68 LYS HB- 5.50 (# 4282:20 Unique 3.80, 4.33 A)
&rst
ixpk= 4282, nxpk= 20, iat=1065, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1047,1048,
&end
#
# 68 LYS HA 68 LYS HB+ 2.80 (# 4283:20 Unique 2.29, 2.59 A)
&rst
ixpk= 4283, nxpk= 20, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1047,1048,
&end
#
# 0 AMB 20-2:4285 0 AMB 20-1:4285 2.80 (# 4285:20 Double Ambig)
&rst
ixpk= 4285, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1=1047,1048,1053,1054,1053,1054,1053,1054,1383,1384,
igr2=1050,1051,1050,1051,1050,1051,1050,1051,1380,1381,
&end
#
# 0 AMB 20-2:4286 0 AMB 20-1:4286 3.50 (# 4286:20 Double Ambig)
&rst
ixpk= 4286, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1377,1378,1025,1026,
igr2=1380,1381,1050,1051,
&end
#
# 68 LYS HA 68 LYS HE+ 5.50 (# 4289:20 Unique 3.70, 4.49 A)
&rst
ixpk= 4289, nxpk= 20, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1056,1057,
&end
#
# 78 ARG HN 81 GLU HG- 5.50 (# 4291:20 Unique 1.87, 2.34 A)
&rst
ixpk= 4291, nxpk= 20, iat=1200, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1258,1259,
&end
#
# 0 AMB 20-2:4292 0 AMB 20-1:4292 2.80 (# 4292:20 Double Ambig)
&rst
ixpk= 4292, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1255,1256,1240,1241,
igr2=1258,1259,1258,1259,
&end
#
# 77 LEU HN 77 LEU MDY 4.50 (# 4293:20 Unique 3.16, 4.86 A)
&rst
ixpk= 4293, nxpk= 20, iat=1181, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1190,1191,1192,1194,1195,1196,
&end
#
# 0 AMB 20-2:4294 77 LEU MDY 5.50 (# 4294:20 Single Ambig)
&rst
ixpk= 4294, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1251,1162,
igr2=1190,1191,1192,1194,1195,1196,
&end
#
# 0 AMB 20-2:4295 77 LEU MDY 5.50 (# 4295:20 Single Ambig)
&rst
ixpk= 4295, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1164,1202,
igr2=1190,1191,1192,1194,1195,1196,
&end
#
# 82 VAL HA 77 LEU MDY 5.50 (# 4296:20 Unique 1.94, 3.93 A)
&rst
ixpk= 4296, nxpk= 20, iat=1268, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1190,1191,1192,1194,1195,1196,
&end
#
# 81 GLU HG+ 77 LEU MDY 5.50 (# 4297:20 Unique 3.88, 6.23 A)
&rst
ixpk= 4297, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1258,1259,
igr2=1190,1191,1192,1194,1195,1196,
&end
#
# 81 GLU HB+ 77 LEU MDY 3.50 (# 4298:20 Unique 1.89, 4.32 A)
&rst
ixpk= 4298, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1255,1256,
igr2=1190,1191,1192,1194,1195,1196,
&end
#
# 73 THR HN 70 THR MG2 5.50 (# 4299:20 Unique 3.59, 5.72 A)
&rst
ixpk= 4299, nxpk= 20, iat=1114, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1085,1086,1087,
&end
#
# 71 PRO HG+ 70 THR MG2 4.50 (# 4300:20 Unique 2.91, 4.41 A)
&rst
ixpk= 4300, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1097,1098,
igr2=1085,1086,1087,
&end
#
# 71 PRO HB+ 70 THR MG2 3.50 (# 4302:20 Unique 4.36, 5.58 A)
&rst
ixpk= 4302, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1100,1101,
igr2=1085,1086,1087,
&end
#
# 77 LEU HN 115 THR MG2 5.50 (# 4303:20 Unique 3.60, 4.70 A)
&rst
ixpk= 4303, nxpk= 20, iat=1181, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1798,1799,1800,
&end
#
# 59 ILE HA 115 THR MG2 5.50 (# 4304:20 Unique 4.51, 5.05 A)
&rst
ixpk= 4304, nxpk= 20, iat= 907, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1798,1799,1800,
&end
#
# 0 AMB 20-2:4305 115 THR MG2 5.50 (# 4305:20 Single Ambig)
&rst
ixpk= 4305, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1204,1205,1166,1829,1777,1778,
igr2=1798,1799,1800,
&end
#
# 78 ARG HB- 115 THR MG2 4.50 (# 4306:20 Unique 5.04, 6.59 A)
&rst
ixpk= 4306, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1204,1205,
igr2=1798,1799,1800,
&end
#
# 0 AMB 20-2:4307 115 THR MG2 2.80 (# 4307:20 Single Ambig)
&rst
ixpk= 4307, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=2291,2292,2293,1172,1173,
igr2=1798,1799,1800,
&end
#
# 0 AMB 20-2:4308 115 THR MG2 2.80 (# 4308:20 Single Ambig)
&rst
ixpk= 4308, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=1168,1169,1170,1831,1832,1833,1835,1836,1837,1761,
1762,
igr2=1798,1799,1800,
&end
#
# 59 ILE HG1+ 115 THR MG2 5.50 (# 4309:20 Unique 4.25, 5.73 A)
&rst
ixpk= 4309, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 915, 916,
igr2=1798,1799,1800,
&end
#
# 74 MET HA 73 THR MG2 5.50 (# 4310:20 Unique 3.79, 4.50 A)
&rst
ixpk= 4310, nxpk= 20, iat=1130, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1120,1121,1122,
&end
#
# 72 GLY HA- 73 THR MG2 5.50 (# 4311:20 Unique 5.89, 6.88 A)
&rst
ixpk= 4311, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1109,1110,
igr2=1120,1121,1122,
&end
#
# 0 AMB 20-2:4313 73 THR MG2 3.50 (# 4313:20 Single Ambig)
&rst
ixpk= 4313, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1152,1153,2127,2128,2129,
igr2=1120,1121,1122,
&end
#
# 0 AMB 20-2:4314 73 THR MG2 3.50 (# 4314:20 Single Ambig)
&rst
ixpk= 4314, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1156,1157,1158,1139,1140,1141,1025,1026,
igr2=1120,1121,1122,
&end
#
# 120 ILE MD1 73 THR MG2 2.80 (# 4315:20 Unique 2.31, 4.80 A)
&rst
ixpk= 4315, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1877,1878,1879,
igr2=1120,1121,1122,
&end
#
# 35 TYR HD 1 MET HG+ 5.50 (# 4316:20 Unique 3.03, 5.77 A)
&rst
ixpk= 4316, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 564, 573,
igr2= 11, 12,
&end
#
# 35 TYR HE 1 MET HG- 5.50 (# 4317:20 Unique 3.49, 6.19 A)
&rst
ixpk= 4317, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 566, 571,
igr2= 11, 12,
&end
#
# 0 AMB 20-2:4318 0 AMB 20-1:4318 5.50 (# 4318:20 Double Ambig)
&rst
ixpk= 4318, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 6, 560, 561,
igr2= 11, 12, 11, 12,
&end
#
# 1 MET ME 1 MET HG+ 3.50 (# 4319:20 Unique 2.19, 3.40 A)
&rst
ixpk= 4319, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 15, 16, 17,
igr2= 11, 12,
&end
#
# 1 MET HB- 1 MET HG+ 3.50 (# 4320:20 Unique 2.25, 2.70 A)
&rst
ixpk= 4320, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 8, 9,
igr2= 11, 12,
&end
#
# 1 MET HB+ 1 MET HG+ 3.50 (# 4321:20 Unique 2.25, 2.70 A)
&rst
ixpk= 4321, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 8, 9,
igr2= 11, 12,
&end
#
# 154 VAL MGY 1 MET HG+ 5.50 (# 4322:20 Unique 2.82, 5.96 A)
&rst
ixpk= 4322, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2379,2380,2381,2383,2384,2385,
igr2= 11, 12,
&end
#
# 3 ILE MD1 1 MET HG- 4.50 (# 4323:20 Unique 1.90, 3.47 A)
&rst
ixpk= 4323, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 58, 59, 60,
igr2= 11, 12,
&end
#
# 3 ILE HG1+ 1 MET HG+ 5.50 (# 4324:20 Unique 3.02, 4.68 A)
&rst
ixpk= 4324, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 55, 56,
igr2= 11, 12,
&end
#
# 0 AMB 20-2:4325 0 AMB 20-1:4325 5.50 (# 4325:20 Double Ambig)
&rst
ixpk= 4325, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1286,1287,1286,1287,
igr2=1625,1626,1625,1626,
&end
#
# 80 GLU HB- 0 AMB 20-1:4326 5.50 (# 4326:20 Single Ambig)
&rst
ixpk= 4326, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1240,1241,
igr2=1625,1626,1625,1626,
&end
#
# 102 SER HA 0 AMB 20-1:4328 5.50 (# 4328:20 Single Ambig)
&rst
ixpk= 4328, nxpk= 20, iat=1577, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1625,1626,1625,1626,
&end
#
# 84 ALA HN 0 AMB 20-1:4329 5.50 (# 4329:20 Single Ambig)
&rst
ixpk= 4329, nxpk= 20, iat=1296, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1625,1626,1625,1626,
&end
#
# 0 AMB 20-2:4330 0 AMB 20-1:4330 5.50 (# 4330:20 Double Ambig)
&rst
ixpk= 4330, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1615,1586,
igr2=1625,1626,1625,1626,1625,1626,
&end
#
# 67 LYS HG+ 67 LYS HB- 2.80 (# 4331:20 Unique 2.21, 2.71 A)
&rst
ixpk= 4331, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1028,1029,
igr2=1025,1026,
&end
#
# 0 AMB 20-2:4332 67 LYS HB- 4.50 (# 4332:20 Single Ambig)
&rst
ixpk= 4332, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 981, 982, 983,1877,1878,1879,
igr2=1025,1026,
&end
#
# 0 AMB 20-2:4333 104 LEU HG 5.50 (# 4333:20 Single Ambig)
&rst
ixpk= 4333, nxpk= 20, iat= -1,1603, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1615, 792,1659,
&end
#
# 104 LEU HA 104 LEU HG 5.50 (# 4334:20 Unique 3.06, 3.34 A)
&rst
ixpk= 4334, nxpk= 20, iat=1598,1603, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 6 LEU HN 58 LEU MDX 5.50 (# 4335:20 Unique 2.41, 4.57 A)
&rst
ixpk= 4335, nxpk= 20, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 124 LEU HG 13 LEU HG 2.80 (# 4336:20 Unique 2.86, 3.00 A)
&rst
ixpk= 4336, nxpk= 20, iat=1930, 207, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 13 LEU MDX 13 LEU HG 2.80 (# 4337:20 Unique 2.22, 2.63 A)
&rst
ixpk= 4337, nxpk= 20, iat= -1, 207, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 209, 210, 211, 213, 214, 215,
&end
#
# 0 AMB 20-2:4338 13 LEU HG 2.80 (# 4338:20 Single Ambig)
&rst
ixpk= 4338, nxpk= 20, iat= -1, 207, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 209, 210, 211, 213, 214, 215,1932,1933,1934,1936,
1937,1938,
&end
#
# 101 LEU MDY 101 LEU HG 3.50 (# 4339:20 Unique 2.23, 2.63 A)
&rst
ixpk= 4339, nxpk= 20, iat= -1,1563, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1565,1566,1567,1569,1570,1571,
&end
#
# 0 AMB 20-2:4340 0 AMB 20-1:4340 4.50 (# 4340:20 Double Ambig)
&rst
ixpk= 4340, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 276, 277, 278, 361, 362, 363, 365, 366, 367,
igr2= 346, 347, 346, 347,
&end
#
# 22 ILE HA 22 ILE HG1+ 5.50 (# 4341:20 Unique 2.24, 3.11 A)
&rst
ixpk= 4341, nxpk= 20, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 346, 347,
&end
#
# 0 AMB 20-2:4342 121 PRO HG- 5.50 (# 4342:20 Single Ambig)
&rst
ixpk= 4342, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1866,1925,
igr2=1887,1888,
&end
#
# 121 PRO HD+ 121 PRO HG- 5.50 (# 4343:20 Unique 2.30, 2.58 A)
&rst
ixpk= 4343, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1884,1885,
igr2=1887,1888,
&end
#
# 161 ASP HB+ 161 ASP HA 3.50 (# 4344:20 Unique 2.37, 2.73 A)
&rst
ixpk= 4344, nxpk= 20, iat= -1,2484, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2486,2487,
&end
#
# 137 MET HA 140 PRO HB- 5.50 (# 4345:20 Unique 4.29, 4.57 A)
&rst
ixpk= 4345, nxpk= 20, iat=2118, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2174,2175,
&end
#
# 0 AMB 20-2:4346 0 AMB 20-1:4346 5.50 (# 4346:20 Double Ambig)
&rst
ixpk= 4346, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1094,1095, 756,
igr2=1100,1101,1544,
&end
#
# 71 PRO HD+ 71 PRO HB+ 5.50 (# 4347:20 Unique 2.98, 3.70 A)
&rst
ixpk= 4347, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1094,1095,
igr2=1100,1101,
&end
#
# 133 THR MG2 71 PRO HG- 5.50 (# 4348:20 Unique 3.07, 5.40 A)
&rst
ixpk= 4348, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2067,2068,2069,
igr2=1097,1098,
&end
#
# 4 LEU HN 4 LEU HB+ 5.50 (# 4350:20 Unique 2.74, 3.09 A)
&rst
ixpk= 4350, nxpk= 20, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 68, 69,
&end
#
# 105 ARG HN 104 LEU HB- 5.50 (# 4351:20 Unique 2.29, 2.97 A)
&rst
ixpk= 4351, nxpk= 20, iat=1615, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1600,1601,
&end
#
# 110 PHE HD 104 LEU HB- 5.50 (# 4352:20 Unique 1.91, 5.04 A)
&rst
ixpk= 4352, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1703,1711,
igr2=1600,1601,
&end
#
# 104 LEU HA 104 LEU HB- 5.50 (# 4353:20 Unique 2.56, 2.83 A)
&rst
ixpk= 4353, nxpk= 20, iat=1598, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1600,1601,
&end
#
# 0 AMB 20-2:4354 104 LEU HB- 4.50 (# 4354:20 Single Ambig)
&rst
ixpk= 4354, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1697,1675,1676,
igr2=1600,1601,
&end
#
# 92 PRO HG+ 92 PRO HD+ 2.80 (# 4355:20 Unique 2.30, 2.58 A)
&rst
ixpk= 4355, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1429,1430,
igr2=1426,1427,
&end
#
# 95 LEU MDY 95 LEU HB- 3.50 (# 4356:20 Unique 2.18, 3.47 A)
&rst
ixpk= 4356, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1482,1483,1484,1486,1487,1488,
igr2=1477,1478,
&end
#
# 95 LEU MDY 95 LEU HB+ 3.50 (# 4357:20 Unique 2.18, 3.47 A)
&rst
ixpk= 4357, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1482,1483,1484,1486,1487,1488,
igr2=1477,1478,
&end
#
# 124 LEU MDX 121 PRO HB- 4.50 (# 4358:20 Unique 1.98, 4.51 A)
&rst
ixpk= 4358, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1932,1933,1934,1936,1937,1938,
igr2=1890,1891,
&end
#
# 0 AMB 20-2:4359 95 LEU HA 4.50 (# 4359:20 Single Ambig)
&rst
ixpk= 4359, nxpk= 20, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1492,1518,
&end
#
# 99 ASP HN 98 ALA HA 4.50 (# 4360:20 Unique 3.56, 3.57 A)
&rst
ixpk= 4360, nxpk= 20, iat=1528,1520, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:4361 99 ASP HA 4.50 (# 4361:20 Single Ambig)
&rst
ixpk= 4361, nxpk= 20, iat= -1,1530, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1575,1556,
&end
#
# 99 ASP HN 99 ASP HA 3.50 (# 4362:20 Unique 2.74, 2.79 A)
&rst
ixpk= 4362, nxpk= 20, iat=1528,1530, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 21 ARG HD- 21 ARG HA 3.50 (# 4363:20 Unique 2.02, 2.66 A)
&rst
ixpk= 4363, nxpk= 20, iat= -1, 314, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 322, 323,
&end
#
# 26 LEU HN 23 VAL HA 3.50 (# 4364:20 Unique 3.55, 3.61 A)
&rst
ixpk= 4364, nxpk= 20, iat= 396, 357, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 29 ARG HN 26 LEU HA 4.50 (# 4365:20 Unique 3.03, 3.31 A)
&rst
ixpk= 4365, nxpk= 20, iat= 447, 398, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 29 ARG HN 28 GLN HA 4.50 (# 4366:20 Unique 3.40, 3.47 A)
&rst
ixpk= 4366, nxpk= 20, iat= 447, 432, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:4367 138 ILE HA 3.50 (# 4367:20 Single Ambig)
&rst
ixpk= 4367, nxpk= 20, iat= -1,2135, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=2137, 346, 347,2195,2196,
&end
#
# 143 GLU HN 140 PRO HA 4.50 (# 4368:20 Unique 3.79, 3.87 A)
&rst
ixpk= 4368, nxpk= 20, iat=2210,2177, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 147 ALA HN 146 LEU HA 4.50 (# 4369:20 Unique 3.53, 3.54 A)
&rst
ixpk= 4369, nxpk= 20, iat=2277,2260, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:4370 148 ALA HA 3.50 (# 4370:20 Single Ambig)
&rst
ixpk= 4370, nxpk= 20, iat= -1,2289, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 879,2340,
&end
#
# 42 GLY HA- 20 VAL MGX 4.50 (# 4371:20 Unique 1.99, 4.38 A)
&rst
ixpk= 4371, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 667, 668,
igr2= 302, 303, 304, 306, 307, 308,
&end
#
# 24 GLU HG- 20 VAL MGX 3.50 (# 4372:20 Unique 2.03, 4.46 A)
&rst
ixpk= 4372, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 378, 379,
igr2= 302, 303, 304, 306, 307, 308,
&end
#
# 0 AMB 20-2:4373 20 VAL MGX 4.50 (# 4373:20 Single Ambig)
&rst
ixpk= 4373, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 361, 362, 363, 365, 366, 367, 131, 132, 133, 135,
136, 137, 131, 132, 133, 135, 136, 137, 175, 176,
177,
igr2= 302, 303, 304, 306, 307, 308,
&end
#
# 11 ILE MG2 11 ILE MD1 2.80 (# 4374:20 Unique 1.98, 4.04 A)
&rst
ixpk= 4374, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 168, 169, 170,
igr2= 175, 176, 177,
&end
#
# 0 AMB 20-2:4375 11 ILE MG2 2.80 (# 4375:20 Single Ambig)
&rst
ixpk= 4375, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 302, 303, 304, 306, 307, 308, 302, 303, 304, 306,
307, 308,
igr2= 168, 169, 170,
&end
#
# 0 AMB 60-2:8 127 HIS HE1 5.50 (# 8:60 Single Ambig)
&rst
ixpk= 8, nxpk= 60, iat= -1,1981, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr1=2009,2010, 223,
&end
#
# 0 AMB 60-2:10 57 HIS HE1 5.50 (# 10:60 Single Ambig)
&rst
ixpk= 10, nxpk= 60, iat= -1, 879, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1761,1762, 915, 916,1758,1759,
&end
#
# 0 AMB 60-2:12 57 HIS HE1 4.50 (# 12:60 Single Ambig)
&rst
ixpk= 12, nxpk= 60, iat= -1, 879, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2232,2233, 11, 12,
&end
#
# 36 VAL MGY 35 TYR HD 2.80 (# 16:60 Unique 1.85, 5.83 A)
&rst
ixpk= 16, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 583, 584, 585, 587, 588, 589,
igr2= 564, 573,
&end
#
# 154 VAL MGY 35 TYR HD 4.50 (# 17:60 Unique 2.78, 5.89 A)
&rst
ixpk= 17, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2379,2380,2381,2383,2384,2385,
igr2= 564, 573,
&end
#
# 3 ILE MD1 35 TYR HD 3.50 (# 18:60 Unique 1.92, 4.68 A)
&rst
ixpk= 18, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 58, 59, 60,
igr2= 564, 573,
&end
#
# 3 ILE HG1- 35 TYR HD 4.50 (# 19:60 Unique 3.93, 6.58 A)
&rst
ixpk= 19, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 55, 56,
igr2= 564, 573,
&end
#
# 0 AMB 60-2:20 35 TYR HD 4.50 (# 20:60 Single Ambig)
&rst
ixpk= 20, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 11, 12, 537, 538,
igr2= 564, 573,
&end
#
# 0 AMB 60-2:21 35 TYR HD 2.80 (# 21:60 Single Ambig)
&rst
ixpk= 21, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 560, 561, 548, 549,
igr2= 564, 573,
&end
#
# 35 TYR HB+ 35 TYR HD 2.80 (# 22:60 Unique 2.39, 3.05 A)
&rst
ixpk= 22, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 560, 561,
igr2= 564, 573,
&end
#
# 2 ARG HA 35 TYR HD 5.50 (# 24:60 Unique 3.61, 4.87 A)
&rst
ixpk= 24, nxpk= 60, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 564, 573,
&end
#
# 0 AMB 60-2:25 35 TYR HD 5.50 (# 25:60 Single Ambig)
&rst
ixpk= 25, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 579, 546,
igr2= 564, 573,
&end
#
# 35 TYR HE 35 TYR HD 2.80 (# 26:60 Unique 2.46, 3.69 A)
&rst
ixpk= 26, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 566, 571,
igr2= 564, 573,
&end
#
# 36 VAL HN 35 TYR HD 5.50 (# 27:60 Unique 3.07, 3.90 A)
&rst
ixpk= 27, nxpk= 60, iat= 577, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 564, 573,
&end
#
# 3 ILE HN 35 TYR HD 5.50 (# 28:60 Unique 3.38, 5.14 A)
&rst
ixpk= 28, nxpk= 60, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 564, 573,
&end
#
# 146 LEU MDY 30 TYR HD 5.50 (# 29:60 Unique 2.95, 4.26 A)
&rst
ixpk= 29, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2267,2268,2269,2271,2272,2273,
igr2= 479, 488,
&end
#
# 26 LEU MDX 30 TYR HD 3.50 (# 30:60 Unique 2.58, 6.28 A)
&rst
ixpk= 30, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 405, 406, 407, 409, 410, 411,
igr2= 479, 488,
&end
#
# 156 ALA MB 30 TYR HD 2.80 (# 31:60 Unique 2.34, 4.77 A)
&rst
ixpk= 31, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=2408,2409,2410,
igr2= 479, 488,
&end
#
# 26 LEU HG 30 TYR HD 3.50 (# 32:60 Unique 3.21, 4.73 A)
&rst
ixpk= 32, nxpk= 60, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 479, 488,
&end
#
# 29 ARG HB+ 30 TYR HD 3.50 (# 33:60 Unique 2.17, 4.18 A)
&rst
ixpk= 33, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 451, 452,
igr2= 479, 488,
&end
#
# 30 TYR HB- 30 TYR HD 2.80 (# 34:60 Unique 2.31, 3.05 A)
&rst
ixpk= 34, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 475, 476,
igr2= 479, 488,
&end
#
# 30 TYR HB+ 30 TYR HD 2.80 (# 35:60 Unique 2.31, 3.05 A)
&rst
ixpk= 35, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 475, 476,
igr2= 479, 488,
&end
#
# 0 AMB 60-2:36 30 TYR HD 5.50 (# 36:60 Single Ambig)
&rst
ixpk= 36, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2440,2441,2437,2438,
igr2= 479, 488,
&end
#
# 26 LEU HA 30 TYR HD 2.80 (# 37:60 Unique 2.00, 4.76 A)
&rst
ixpk= 37, nxpk= 60, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 479, 488,
&end
#
# 158 PRO HA 30 TYR HD 3.50 (# 38:60 Unique 2.48, 3.77 A)
&rst
ixpk= 38, nxpk= 60, iat=2443, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 479, 488,
&end
#
# 30 TYR HA 30 TYR HD 3.50 (# 39:60 Unique 3.36, 3.59 A)
&rst
ixpk= 39, nxpk= 60, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 479, 488,
&end
#
# 30 TYR HE 30 TYR HD 2.80 (# 40:60 Unique 2.46, 3.69 A)
&rst
ixpk= 40, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 481, 486,
igr2= 479, 488,
&end
#
# 30 TYR HN 30 TYR HD 2.80 (# 41:60 Unique 1.94, 3.63 A)
&rst
ixpk= 41, nxpk= 60, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 479, 488,
&end
#
# 31 ILE HN 30 TYR HD 5.50 (# 42:60 Unique 4.05, 5.03 A)
&rst
ixpk= 42, nxpk= 60, iat= 492, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 479, 488,
&end
#
# 104 LEU HB- 110 PHE HD 5.50 (# 43:60 Unique 1.91, 5.04 A)
&rst
ixpk= 43, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1600,1601,
igr2=1703,1711,
&end
#
# 105 ARG HG- 110 PHE HD 5.50 (# 44:60 Unique 2.56, 5.81 A)
&rst
ixpk= 44, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1622,1623,
igr2=1703,1711,
&end
#
# 0 AMB 60-2:45 110 PHE HD 4.50 (# 45:60 Single Ambig)
&rst
ixpk= 45, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1619,1620,1716,1717,
igr2=1703,1711,
&end
#
# 110 PHE HB+ 110 PHE HD 3.50 (# 46:60 Unique 2.28, 3.05 A)
&rst
ixpk= 46, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1699,1700,
igr2=1703,1711,
&end
#
# 0 AMB 60-2:47 110 PHE HD 3.50 (# 47:60 Single Ambig)
&rst
ixpk= 47, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1699,1700,1716,1717,
igr2=1703,1711,
&end
#
# 105 ARG HA 110 PHE HD 3.50 (# 48:60 Unique 2.14, 3.71 A)
&rst
ixpk= 48, nxpk= 60, iat=1617, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1703,1711,
&end
#
# 49 LEU MDX 106 PHE HD 4.50 (# 50:60 Unique 5.32, 9.76 A)
&rst
ixpk= 50, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 763, 764, 765, 767, 768, 769,
igr2=1647,1655,
&end
#
# 105 ARG HG- 106 PHE HD 3.50 (# 51:60 Unique 2.09, 5.02 A)
&rst
ixpk= 51, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1622,1623,
igr2=1647,1655,
&end
#
# 103 ALA MB 106 PHE HD 4.50 (# 52:60 Unique 3.66, 6.51 A)
&rst
ixpk= 52, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1590,1591,1592,
igr2=1647,1655,
&end
#
# 105 ARG HB+ 106 PHE HD 4.50 (# 53:60 Unique 3.16, 6.52 A)
&rst
ixpk= 53, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1619,1620,
igr2=1647,1655,
&end
#
# 106 PHE HB- 106 PHE HD 4.50 (# 54:60 Unique 2.31, 3.06 A)
&rst
ixpk= 54, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1643,1644,
igr2=1647,1655,
&end
#
# 106 PHE HB+ 106 PHE HD 4.50 (# 55:60 Unique 2.31, 3.06 A)
&rst
ixpk= 55, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1643,1644,
igr2=1647,1655,
&end
#
# 102 SER HB- 106 PHE HD 4.50 (# 56:60 Unique 2.78, 5.79 A)
&rst
ixpk= 56, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1579,1580,
igr2=1647,1655,
&end
#
# 106 PHE HA 106 PHE HD 3.50 (# 57:60 Unique 1.79, 3.26 A)
&rst
ixpk= 57, nxpk= 60, iat=1641, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1647,1655,
&end
#
# 106 PHE HE 106 PHE HD 2.80 (# 58:60 Unique 2.46, 3.69 A)
&rst
ixpk= 58, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1649,1653,
igr2=1647,1655,
&end
#
# 94 GLN HB- 86 PHE HE 3.50 (# 65:60 Unique 3.43, 5.48 A)
&rst
ixpk= 65, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1460,1461,
igr2=1335,1339,
&end
#
# 62 ASP HB- 86 PHE HE 5.50 (# 66:60 Unique 3.67, 6.39 A)
&rst
ixpk= 66, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 957, 958,
igr2=1335,1339,
&end
#
# 86 PHE HB- 86 PHE HE 4.50 (# 67:60 Unique 4.60, 5.04 A)
&rst
ixpk= 67, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1329,1330,
igr2=1335,1339,
&end
#
# 0 AMB 60-2:68 86 PHE HE 4.50 (# 68:60 Single Ambig)
&rst
ixpk= 68, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1268,1329,1330,1283,1284,
igr2=1335,1339,
&end
#
# 83 PRO HA 86 PHE HE 4.50 (# 69:60 Unique 3.41, 5.01 A)
&rst
ixpk= 69, nxpk= 60, iat=1292, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1335,1339,
&end
#
# 86 PHE HA 86 PHE HE 4.50 (# 70:60 Unique 4.40, 5.28 A)
&rst
ixpk= 70, nxpk= 60, iat=1327, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1335,1339,
&end
#
# 154 VAL MGY 35 TYR HE 2.80 (# 81:60 Unique 1.87, 4.70 A)
&rst
ixpk= 81, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2379,2380,2381,2383,2384,2385,
igr2= 566, 571,
&end
#
# 3 ILE MD1 35 TYR HE 2.80 (# 82:60 Unique 2.38, 5.29 A)
&rst
ixpk= 82, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 58, 59, 60,
igr2= 566, 571,
&end
#
# 0 AMB 60-2:83 35 TYR HE 3.50 (# 83:60 Single Ambig)
&rst
ixpk= 83, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2379,2380,2381,2383,2384,2385, 583, 584, 585, 587,
588, 589, 583, 584, 585, 587, 588, 589,
igr2= 566, 571,
&end
#
# 0 AMB 60-2:84 35 TYR HE 4.50 (# 84:60 Single Ambig)
&rst
ixpk= 84, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 55, 56, 515, 516,
igr2= 566, 571,
&end
#
# 33 PRO HG+ 35 TYR HE 5.50 (# 85:60 Unique 2.21, 3.56 A)
&rst
ixpk= 85, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 534, 535,
igr2= 566, 571,
&end
#
# 0 AMB 60-2:86 35 TYR HE 4.50 (# 86:60 Single Ambig)
&rst
ixpk= 86, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 581,2301,2302,
igr2= 566, 571,
&end
#
# 3 ILE HB 35 TYR HE 4.50 (# 87:60 Unique 4.27, 6.28 A)
&rst
ixpk= 87, nxpk= 60, iat= 49, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 566, 571,
&end
#
# 0 AMB 60-2:88 35 TYR HE 3.50 (# 88:60 Single Ambig)
&rst
ixpk= 88, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 537, 538, 11, 12,
igr2= 566, 571,
&end
#
# 1 MET HG+ 35 TYR HE 5.50 (# 89:60 Unique 3.49, 6.19 A)
&rst
ixpk= 89, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 11, 12,
igr2= 566, 571,
&end
#
# 0 AMB 60-2:90 35 TYR HE 4.50 (# 90:60 Single Ambig)
&rst
ixpk= 90, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 548, 549, 560, 561,
igr2= 566, 571,
&end
#
# 0 AMB 60-2:91 35 TYR HE 5.50 (# 91:60 Single Ambig)
&rst
ixpk= 91, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 540,2391,
igr2= 566, 571,
&end
#
# 35 TYR HD 35 TYR HE 2.80 (# 93:60 Unique 2.46, 3.69 A)
&rst
ixpk= 93, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 564, 573,
igr2= 566, 571,
&end
#
# 146 LEU MDY 30 TYR HE 4.50 (# 94:60 Unique 2.78, 4.56 A)
&rst
ixpk= 94, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2267,2268,2269,2271,2272,2273,
igr2= 481, 486,
&end
#
# 146 LEU MDX 30 TYR HE 3.50 (# 95:60 Unique 2.78, 4.56 A)
&rst
ixpk= 95, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2267,2268,2269,2271,2272,2273,
igr2= 481, 486,
&end
#
# 26 LEU MDX 30 TYR HE 4.50 (# 96:60 Unique 4.22, 7.46 A)
&rst
ixpk= 96, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 405, 406, 407, 409, 410, 411,
igr2= 481, 486,
&end
#
# 0 AMB 60-2:97 30 TYR HE 2.80 (# 97:60 Single Ambig)
&rst
ixpk= 97, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=2200,2201,2202,2204,2205,2206,2200,2201,2202,2204,
2205,2206,2408,2409,2410,
igr2= 481, 486,
&end
#
# 29 ARG HB- 30 TYR HE 5.50 (# 98:60 Unique 2.56, 4.72 A)
&rst
ixpk= 98, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 451, 452,
igr2= 481, 486,
&end
#
# 29 ARG HB+ 30 TYR HE 3.50 (# 99:60 Unique 2.56, 4.72 A)
&rst
ixpk= 99, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 451, 452,
igr2= 481, 486,
&end
#
# 158 PRO HG- 30 TYR HE 4.50 (# 100:60 Unique 4.51, 6.96 A)
&rst
ixpk= 100, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2437,2438,
igr2= 481, 486,
&end
#
# 158 PRO HB+ 30 TYR HE 3.50 (# 101:60 Unique 2.81, 5.23 A)
&rst
ixpk= 101, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2440,2441,
igr2= 481, 486,
&end
#
# 30 TYR HB- 30 TYR HE 5.50 (# 102:60 Unique 4.62, 5.05 A)
&rst
ixpk= 102, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 475, 476,
igr2= 481, 486,
&end
#
# 30 TYR HB+ 30 TYR HE 4.50 (# 103:60 Unique 4.62, 5.05 A)
&rst
ixpk= 103, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 475, 476,
igr2= 481, 486,
&end
#
# 0 AMB 60-2:104 30 TYR HE 4.50 (# 104:60 Single Ambig)
&rst
ixpk= 104, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 398,2434,2435,
igr2= 481, 486,
&end
#
# 158 PRO HA 30 TYR HE 5.50 (# 105:60 Unique 3.09, 4.32 A)
&rst
ixpk= 105, nxpk= 60, iat=2443, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 481, 486,
&end
#
# 30 TYR HD 30 TYR HE 2.80 (# 107:60 Unique 2.46, 3.69 A)
&rst
ixpk= 107, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 479, 488,
igr2= 481, 486,
&end
#
# 0 AMB 60-2:108 30 TYR HE 4.50 (# 108:60 Single Ambig)
&rst
ixpk= 108, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 471, 396,
igr2= 481, 486,
&end
#
# 127 HIS HN 127 HIS HE1 5.50 (# 110:60 Unique 5.13, 5.58 A)
&rst
ixpk= 110, nxpk= 60, iat=1971,1981, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 LEU HG 127 HIS HE1 5.50 (# 111:60 Unique 7.44, 9.06 A)
&rst
ixpk= 111, nxpk= 60, iat= 207,1981, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 146 LEU MDX 30 TYR HD 5.50 (# 113:60 Unique 2.95, 4.26 A)
&rst
ixpk= 113, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2267,2268,2269,2271,2272,2273,
igr2= 479, 488,
&end
#
# 158 PRO HD- 30 TYR HD 5.50 (# 114:60 Unique 3.48, 6.13 A)
&rst
ixpk= 114, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2434,2435,
igr2= 479, 488,
&end
#
# 35 TYR HN 35 TYR HD 2.80 (# 117:60 Unique 2.04, 3.09 A)
&rst
ixpk= 117, nxpk= 60, iat= 556, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 564, 573,
&end
#
# 1 MET HG+ 35 TYR HD 5.50 (# 118:60 Unique 3.03, 5.77 A)
&rst
ixpk= 118, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 11, 12,
igr2= 564, 573,
&end
#
# 0 AMB 60-2:120 106 PHE HD 5.50 (# 120:60 Single Ambig)
&rst
ixpk= 120, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1659,1639,
igr2=1647,1655,
&end
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