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 |
|
|
491631 |
2jtq   |
cing | 1-original | 4 | AMBER | distance | NOE | ambi |
#
# 67 THR HN 67 THR HB 4.50 (# 0:20 Unique 3.71, 3.79 A)
&rst
ixpk= 0, nxpk= 20, iat=1045,1049, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,
rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
&end
#
# 67 THR MG2 67 THR HB 2.80 (# 2:20 Unique 2.23, 2.64 A)
&rst
ixpk= 2, nxpk= 20, iat= -1,1049, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1051,1052,1053,
&end
#
# 35 THR HN 35 THR HB 3.50 (# 3:20 Unique 2.59, 2.84 A)
&rst
ixpk= 3, nxpk= 20, iat= 568, 572, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 36 ALA HN 35 THR HB 3.50 (# 4:20 Unique 2.78, 2.97 A)
&rst
ixpk= 4, nxpk= 20, iat= 582, 572, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 35 THR MG2 35 THR HB 2.80 (# 6:20 Unique 2.23, 2.64 A)
&rst
ixpk= 6, nxpk= 20, iat= -1, 572, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 574, 575, 576,
&end
#
# 43 THR HN 43 THR HB 3.50 (# 7:20 Unique 2.47, 2.58 A)
&rst
ixpk= 7, nxpk= 20, iat= 682, 686, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 2 GLU HA 43 THR HB 2.80 (# 8:20 Unique 2.00, 2.05 A)
&rst
ixpk= 8, nxpk= 20, iat= 16, 686, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 20-2:10 43 THR HB 3.50 (# 10:20 Single Ambig)
&rst
ixpk= 10, nxpk= 20, iat= -1, 686, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 21, 22, 21, 22,
&end
#
# 0 AMB 20-2:11 43 THR HB 3.50 (# 11:20 Single Ambig)
&rst
ixpk= 11, nxpk= 20, iat= -1, 686, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 18, 19, 18, 19,
&end
#
# 43 THR MG2 43 THR HB 2.80 (# 12:20 Unique 2.23, 2.64 A)
&rst
ixpk= 12, nxpk= 20, iat= -1, 686, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 688, 689, 690,
&end
#
# 0 AMB 20-2:13 29 VAL HA 4.50 (# 13:20 Single Ambig)
&rst
ixpk= 13, nxpk= 20, iat= -1, 464, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 541, 408,
&end
#
# 29 VAL MGX 29 VAL HA 3.50 (# 14:20 Unique 2.03, 3.30 A)
&rst
ixpk= 14, nxpk= 20, iat= -1, 464, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 468, 469, 470, 472, 473, 474,
&end
#
# 33 ILE HN 29 VAL HA 3.50 (# 15:20 Unique 2.29, 2.79 A)
&rst
ixpk= 15, nxpk= 20, iat= 539, 464, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 32 ARG HN 29 VAL HA 4.50 (# 16:20 Unique 2.99, 3.31 A)
&rst
ixpk= 16, nxpk= 20, iat= 515, 464, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 29 VAL HN 29 VAL HA 3.50 (# 17:20 Unique 2.69, 2.77 A)
&rst
ixpk= 17, nxpk= 20, iat= 462, 464, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 29 VAL HB 29 VAL HA 3.50 (# 18:20 Unique 2.51, 2.73 A)
&rst
ixpk= 18, nxpk= 20, iat= 466, 464, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 32 ARG HB+ 29 VAL HA 3.50 (# 19:20 Unique 1.89, 2.79 A)
&rst
ixpk= 19, nxpk= 20, iat= -1, 464, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 519, 520,
&end
#
# 32 ARG HB- 29 VAL HA 3.50 (# 20:20 Unique 1.89, 2.79 A)
&rst
ixpk= 20, nxpk= 20, iat= -1, 464, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 519, 520,
&end
#
# 29 VAL MGY 29 VAL HA 2.80 (# 21:20 Unique 2.03, 3.30 A)
&rst
ixpk= 21, nxpk= 20, iat= -1, 464, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 468, 469, 470, 472, 473, 474,
&end
#
# 0 AMB 20-2:22 29 VAL HA 2.80 (# 22:20 Single Ambig)
&rst
ixpk= 22, nxpk= 20, iat= -1, 464, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 379, 380, 381, 386, 387, 388,
&end
#
# 13 TYR HN 10 PRO HA 3.50 (# 23:20 Unique 2.97, 3.27 A)
&rst
ixpk= 23, nxpk= 20, iat= 203, 167, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:24 10 PRO HA 3.50 (# 24:20 Single Ambig)
&rst
ixpk= 24, nxpk= 20, iat= -1, 167, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 158, 159, 158, 159,
&end
#
# 13 TYR HB+ 10 PRO HA 3.50 (# 25:20 Unique 2.00, 2.64 A)
&rst
ixpk= 25, nxpk= 20, iat= -1, 167, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 207, 208,
&end
#
# 13 TYR HB- 10 PRO HA 3.50 (# 26:20 Unique 2.00, 2.64 A)
&rst
ixpk= 26, nxpk= 20, iat= -1, 167, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 207, 208,
&end
#
# 10 PRO HB+ 10 PRO HA 2.80 (# 27:20 Unique 2.30, 2.51 A)
&rst
ixpk= 27, nxpk= 20, iat= -1, 167, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 164, 165,
&end
#
# 0 AMB 20-2:28 10 PRO HA 3.50 (# 28:20 Single Ambig)
&rst
ixpk= 28, nxpk= 20, iat= -1, 167, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 399, 400, 161, 162, 190, 191, 190, 191,
&end
#
# 0 AMB 20-2:29 10 PRO HA 3.50 (# 29:20 Single Ambig)
&rst
ixpk= 29, nxpk= 20, iat= -1, 167, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 396, 397, 161, 162, 124, 125,
&end
#
# 61 LEU HN 60 ILE HA 4.50 (# 30:20 Unique 3.51, 3.55 A)
&rst
ixpk= 30, nxpk= 20, iat= 955, 938, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 63 GLU HN 60 ILE HA 4.50 (# 31:20 Unique 3.45, 3.82 A)
&rst
ixpk= 31, nxpk= 20, iat= 985, 938, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:32 60 ILE HA 3.50 (# 32:20 Single Ambig)
&rst
ixpk= 32, nxpk= 20, iat= -1, 938, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 989, 990, 989, 990,
&end
#
# 0 AMB 20-2:33 60 ILE HA 2.80 (# 33:20 Single Ambig)
&rst
ixpk= 33, nxpk= 20, iat= -1, 938, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 946, 947, 940,
&end
#
# 60 ILE HG1+ 60 ILE HA 2.80 (# 34:20 Unique 2.51, 2.76 A)
&rst
ixpk= 34, nxpk= 20, iat= -1, 938, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 946, 947,
&end
#
# 60 ILE QG2 60 ILE HA 2.80 (# 35:20 Unique 2.37, 3.12 A)
&rst
ixpk= 35, nxpk= 20, iat= -1, 938, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 942, 943, 944,
&end
#
# 39 ASP HN 38 PRO HA 4.50 (# 36:20 Unique 3.39, 3.44 A)
&rst
ixpk= 36, nxpk= 20, iat= 622, 618, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 34 ALA HA 38 PRO HA 3.50 (# 37:20 Unique 3.14, 3.45 A)
&rst
ixpk= 37, nxpk= 20, iat= 560, 618, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 38 PRO HD- 38 PRO HA 4.50 (# 38:20 Unique 3.60, 3.85 A)
&rst
ixpk= 38, nxpk= 20, iat= -1, 618, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 609, 610,
&end
#
# 38 PRO HB+ 38 PRO HA 2.80 (# 39:20 Unique 2.30, 2.51 A)
&rst
ixpk= 39, nxpk= 20, iat= -1, 618, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 615, 616,
&end
#
# 38 PRO HB- 38 PRO HA 2.80 (# 40:20 Unique 2.30, 2.51 A)
&rst
ixpk= 40, nxpk= 20, iat= -1, 618, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 615, 616,
&end
#
# 0 AMB 20-2:41 38 PRO HA 4.50 (# 41:20 Single Ambig)
&rst
ixpk= 41, nxpk= 20, iat= -1, 618, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 562, 563, 564, 598, 599, 600, 602, 603, 604,
&end
#
# 68 HIS HB+ 43 THR HA 4.50 (# 43:20 Unique 1.98, 3.12 A)
&rst
ixpk= 43, nxpk= 20, iat= -1, 684, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1063,1064,
&end
#
# 68 HIS HB- 43 THR HA 4.50 (# 44:20 Unique 1.98, 3.12 A)
&rst
ixpk= 44, nxpk= 20, iat= -1, 684, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1063,1064,
&end
#
# 43 THR MG2 43 THR HA 4.50 (# 45:20 Unique 2.23, 3.11 A)
&rst
ixpk= 45, nxpk= 20, iat= -1, 684, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 688, 689, 690,
&end
#
# 36 ALA HN 35 THR HA 3.50 (# 46:20 Unique 3.45, 3.48 A)
&rst
ixpk= 46, nxpk= 20, iat= 582, 570, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 34 ALA MB 35 THR HA 4.50 (# 47:20 Unique 4.07, 4.95 A)
&rst
ixpk= 47, nxpk= 20, iat= -1, 570, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 562, 563, 564,
&end
#
# 35 THR HN 35 THR HA 3.50 (# 48:20 Unique 2.91, 2.93 A)
&rst
ixpk= 48, nxpk= 20, iat= 568, 570, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:49 35 THR HA 4.50 (# 49:20 Single Ambig)
&rst
ixpk= 49, nxpk= 20, iat= -1, 570, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 612, 613, 612, 613,
&end
#
# 0 AMB 20-2:50 0 AMB 20-1:50 2.80 (# 50:20 Double Ambig)
&rst
ixpk= 50, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
igr1= 574, 575, 576, 906, 907,
igr2= 570, 978, 979,
&end
#
# 19 GLN HN 18 VAL HA 2.80 (# 51:20 Unique 2.14, 2.20 A)
&rst
ixpk= 51, nxpk= 20, iat= 306, 292, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 83 VAL HN 18 VAL HA 4.50 (# 52:20 Unique 3.08, 3.81 A)
&rst
ixpk= 52, nxpk= 20, iat=1280, 292, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:54 18 VAL HA 5.50 (# 54:20 Single Ambig)
&rst
ixpk= 54, nxpk= 20, iat= -1, 292, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 310, 311, 262, 263,
&end
#
# 0 AMB 20-2:55 18 VAL HA 4.50 (# 55:20 Single Ambig)
&rst
ixpk= 55, nxpk= 20, iat= -1, 292, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1268,1269,1262,1263,
&end
#
# 0 AMB 20-2:56 18 VAL HA 4.50 (# 56:20 Single Ambig)
&rst
ixpk= 56, nxpk= 20, iat= -1, 292, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1265,1266,1154,1155,1156,1158,1159,1160,
&end
#
# 18 VAL MGY 18 VAL HA 2.80 (# 57:20 Unique 2.28, 3.11 A)
&rst
ixpk= 57, nxpk= 20, iat= -1, 292, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 296, 297, 298, 300, 301, 302,
&end
#
# 18 VAL HN 18 VAL HA 3.50 (# 58:20 Unique 2.78, 2.85 A)
&rst
ixpk= 58, nxpk= 20, iat= 290, 292, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:59 18 VAL HA 3.50 (# 59:20 Single Ambig)
&rst
ixpk= 59, nxpk= 20, iat= -1, 292, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 294,1262,1263,
&end
#
# 0 AMB 20-2:60 18 VAL HA 5.50 (# 60:20 Single Ambig)
&rst
ixpk= 60, nxpk= 20, iat= -1, 292, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1286,1287,1288,1290,1291,1292,1154,1155,1156,1158,
1159,1160,
&end
#
# 81 PRO HG- 81 PRO HA 3.50 (# 61:20 Unique 3.85, 3.94 A)
&rst
ixpk= 61, nxpk= 20, iat= -1,1254, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1248,1249,
&end
#
# 82 LYS HN 81 PRO HA 2.80 (# 62:20 Unique 2.15, 2.19 A)
&rst
ixpk= 62, nxpk= 20, iat=1258,1254, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 81 PRO HB+ 81 PRO HA 2.80 (# 63:20 Unique 2.30, 2.51 A)
&rst
ixpk= 63, nxpk= 20, iat= -1,1254, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1251,1252,
&end
#
# 81 PRO HB- 81 PRO HA 3.50 (# 64:20 Unique 2.30, 2.51 A)
&rst
ixpk= 64, nxpk= 20, iat= -1,1254, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1251,1252,
&end
#
# 0 AMB 20-2:65 81 PRO HA 4.50 (# 65:20 Single Ambig)
&rst
ixpk= 65, nxpk= 20, iat= -1,1254, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1268,1269,1262,1263,
&end
#
# 68 HIS HN 67 THR HA 4.50 (# 68:20 Unique 2.72, 2.98 A)
&rst
ixpk= 68, nxpk= 20, iat=1059,1047, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 67 THR HN 67 THR HA 3.50 (# 69:20 Unique 2.93, 2.94 A)
&rst
ixpk= 69, nxpk= 20, iat=1045,1047, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 67 THR MG2 67 THR HA 2.80 (# 70:20 Unique 2.45, 3.18 A)
&rst
ixpk= 70, nxpk= 20, iat= -1,1047, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1051,1052,1053,
&end
#
# 78 ILE HG1+ 78 ILE HA 2.80 (# 78:20 Unique 2.55, 2.80 A)
&rst
ixpk= 78, nxpk= 20, iat= -1,1200, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1208,1209,
&end
#
# 79 ALA HN 78 ILE HA 3.50 (# 79:20 Unique 2.14, 2.57 A)
&rst
ixpk= 79, nxpk= 20, iat=1217,1200, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 78 ILE HN 78 ILE HA 3.50 (# 80:20 Unique 2.76, 2.88 A)
&rst
ixpk= 80, nxpk= 20, iat=1198,1200, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 78 ILE HG1- 78 ILE HA 3.50 (# 82:20 Unique 2.55, 2.80 A)
&rst
ixpk= 82, nxpk= 20, iat= -1,1200, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1208,1209,
&end
#
# 78 ILE QG2 78 ILE HA 2.80 (# 83:20 Unique 2.33, 3.09 A)
&rst
ixpk= 83, nxpk= 20, iat= -1,1200, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1204,1205,1206,
&end
#
# 0 AMB 20-2:85 54 SER HA 3.50 (# 85:20 Single Ambig)
&rst
ixpk= 85, nxpk= 20, iat= -1, 856, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 889, 899,
&end
#
# 0 AMB 20-2:86 0 AMB 20-1:86 3.50 (# 86:20 Double Ambig)
&rst
ixpk= 86, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.43, r4= 6.18,
igr1= 893, 894, 895, 410, 411, 432, 433,
igr2= 856, 402,
&end
#
# 0 AMB 20-2:87 54 SER HA 3.50 (# 87:20 Single Ambig)
&rst
ixpk= 87, nxpk= 20, iat= -1, 856, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 740, 741, 742, 744, 745, 746, 415, 416, 417, 419,
420, 421,
&end
#
# 7 VAL MGY 54 SER HA 3.50 (# 88:20 Unique 2.04, 4.02 A)
&rst
ixpk= 88, nxpk= 20, iat= -1, 856, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 107, 108, 109, 111, 112, 113,
&end
#
# 7 VAL MGX 54 SER HA 3.50 (# 89:20 Unique 2.04, 4.02 A)
&rst
ixpk= 89, nxpk= 20, iat= -1, 856, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 107, 108, 109, 111, 112, 113,
&end
#
# 62 SER HN 62 SER HA 4.50 (# 90:20 Unique 2.79, 2.82 A)
&rst
ixpk= 90, nxpk= 20, iat= 974, 976, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:91 62 SER HA 3.50 (# 91:20 Single Ambig)
&rst
ixpk= 91, nxpk= 20, iat= -1, 976, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 978, 979, 978, 979,
&end
#
# 62 SER HN 62 SER HA 3.50 (# 92:20 Unique 2.79, 2.82 A)
&rst
ixpk= 92, nxpk= 20, iat= 974, 976, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:94 33 ILE HA 3.50 (# 94:20 Single Ambig)
&rst
ixpk= 94, nxpk= 20, iat= -1, 541, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 539, 592,
&end
#
# 34 ALA HN 33 ILE HA 4.50 (# 95:20 Unique 3.46, 3.49 A)
&rst
ixpk= 95, nxpk= 20, iat= 558, 541, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 36 ALA HN 33 ILE HA 3.50 (# 96:20 Unique 2.82, 3.04 A)
&rst
ixpk= 96, nxpk= 20, iat= 582, 541, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:97 33 ILE HA 2.80 (# 97:20 Single Ambig)
&rst
ixpk= 97, nxpk= 20, iat= -1, 541, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 543, 519, 520,
&end
#
# 0 AMB 20-2:98 33 ILE HA 2.80 (# 98:20 Single Ambig)
&rst
ixpk= 98, nxpk= 20, iat= -1, 541, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
igr1= 586, 587, 588, 549, 550,
&end
#
# 33 ILE QG2 33 ILE HA 3.50 (# 99:20 Unique 3.55, 3.89 A)
&rst
ixpk= 99, nxpk= 20, iat= -1, 541, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 545, 546, 547,
&end
#
# 33 ILE HG1+ 33 ILE HA 3.50 (# 100:20 Unique 2.41, 3.11 A)
&rst
ixpk= 100, nxpk= 20, iat= -1, 541, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 549, 550,
&end
#
# 78 ILE QD1 78 ILE HA 4.50 (# 101:20 Unique 4.38, 4.66 A)
&rst
ixpk= 101, nxpk= 20, iat= -1,1200, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1211,1212,1213,
&end
#
# 79 ALA MB 78 ILE HA 4.50 (# 102:20 Unique 4.18, 4.98 A)
&rst
ixpk= 102, nxpk= 20, iat= -1,1200, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1221,1222,1223,
&end
#
# 78 ILE HB 78 ILE HA 3.50 (# 103:20 Unique 3.02, 3.02 A)
&rst
ixpk= 103, nxpk= 20, iat=1202,1200, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 26 LEU HN 25 PRO HA 2.80 (# 108:20 Unique 2.19, 2.48 A)
&rst
ixpk= 108, nxpk= 20, iat= 406, 402, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 7 VAL HA 25 PRO HA 3.50 (# 109:20 Unique 2.46, 2.79 A)
&rst
ixpk= 109, nxpk= 20, iat= 103, 402, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 7 VAL HB 0 AMB 20-1:110 4.50 (# 110:20 Single Ambig)
&rst
ixpk= 110, nxpk= 20, iat= 105, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 856, 402,
&end
#
# 25 PRO HB+ 25 PRO HA 2.80 (# 111:20 Unique 2.30, 2.51 A)
&rst
ixpk= 111, nxpk= 20, iat= -1, 402, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 399, 400,
&end
#
# 0 AMB 20-2:112 0 AMB 20-1:112 3.50 (# 112:20 Double Ambig)
&rst
ixpk= 112, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 410, 411, 396, 397, 124, 125, 410, 411,
igr2= 402, 856,
&end
#
# 54 SER HB- 54 SER HA 3.50 (# 113:20 Unique 2.26, 2.50 A)
&rst
ixpk= 113, nxpk= 20, iat= -1, 856, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 858, 859,
&end
#
# 66 TYR HN 62 SER HA 4.50 (# 114:20 Unique 2.73, 3.70 A)
&rst
ixpk= 114, nxpk= 20, iat=1024, 976, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 46 VAL MGX 54 SER HB+ 3.50 (# 116:20 Unique 2.00, 5.15 A)
&rst
ixpk= 116, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 740, 741, 742, 744, 745, 746,
igr2= 858, 859,
&end
#
# 44 VAL HN 44 VAL HA 3.50 (# 117:20 Unique 2.91, 2.93 A)
&rst
ixpk= 117, nxpk= 20, iat= 696, 698, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 47 TYR HA 54 SER HB+ 3.50 (# 119:20 Unique 2.84, 3.70 A)
&rst
ixpk= 119, nxpk= 20, iat= 752, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 858, 859,
&end
#
# 47 TYR HA 54 SER HB- 3.50 (# 120:20 Unique 2.84, 3.70 A)
&rst
ixpk= 120, nxpk= 20, iat= 752, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 858, 859,
&end
#
# 46 VAL MGX 54 SER HB- 5.50 (# 121:20 Unique 2.00, 5.15 A)
&rst
ixpk= 121, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 740, 741, 742, 744, 745, 746,
igr2= 858, 859,
&end
#
# 7 VAL MGX 54 SER HB- 4.50 (# 122:20 Unique 2.54, 5.31 A)
&rst
ixpk= 122, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 107, 108, 109, 111, 112, 113,
igr2= 858, 859,
&end
#
# 45 LYS HN 44 VAL HA 2.80 (# 124:20 Unique 2.14, 2.18 A)
&rst
ixpk= 124, nxpk= 20, iat= 712, 698, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 3 HIS HN 44 VAL HA 3.50 (# 125:20 Unique 2.75, 3.21 A)
&rst
ixpk= 125, nxpk= 20, iat= 29, 698, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 3 HIS HB+ 44 VAL HA 4.50 (# 126:20 Unique 2.78, 4.19 A)
&rst
ixpk= 126, nxpk= 20, iat= -1, 698, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 33, 34,
&end
#
# 3 HIS HB- 44 VAL HA 4.50 (# 127:20 Unique 2.78, 4.19 A)
&rst
ixpk= 127, nxpk= 20, iat= -1, 698, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 33, 34,
&end
#
# 44 VAL HB 44 VAL HA 3.50 (# 128:20 Unique 2.65, 3.00 A)
&rst
ixpk= 128, nxpk= 20, iat= 700, 698, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 44 VAL MGY 44 VAL HA 2.80 (# 129:20 Unique 2.08, 3.12 A)
&rst
ixpk= 129, nxpk= 20, iat= -1, 698, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 702, 703, 704, 706, 707, 708,
&end
#
# 44 VAL MGX 44 VAL HA 2.80 (# 130:20 Unique 2.08, 3.12 A)
&rst
ixpk= 130, nxpk= 20, iat= -1, 698, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 702, 703, 704, 706, 707, 708,
&end
#
# 0 AMB 20-2:131 44 VAL HA 3.50 (# 131:20 Single Ambig)
&rst
ixpk= 131, nxpk= 20, iat= -1, 698, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 83, 84, 85, 552, 553, 554, 719, 720,
&end
#
# 14 GLN HN 13 TYR HA 4.50 (# 134:20 Unique 3.40, 3.49 A)
&rst
ixpk= 134, nxpk= 20, iat= 224, 205, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 12 GLN HN 13 TYR HA 5.50 (# 135:20 Unique 4.75, 4.90 A)
&rst
ixpk= 135, nxpk= 20, iat= 186, 205, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 17 HIS HB+ 13 TYR HA 4.50 (# 136:20 Unique 2.70, 4.12 A)
&rst
ixpk= 136, nxpk= 20, iat= -1, 205, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 277, 278,
&end
#
# 13 TYR HB+ 13 TYR HA 3.50 (# 137:20 Unique 2.36, 2.72 A)
&rst
ixpk= 137, nxpk= 20, iat= -1, 205, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 207, 208,
&end
#
# 13 TYR HB- 13 TYR HA 3.50 (# 138:20 Unique 2.36, 2.72 A)
&rst
ixpk= 138, nxpk= 20, iat= -1, 205, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 207, 208,
&end
#
# 53 GLN HE2+ 9 VAL HA 4.50 (# 139:20 Unique 3.59, 4.96 A)
&rst
ixpk= 139, nxpk= 20, iat= -1, 143, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 849, 850,
&end
#
# 9 VAL HN 9 VAL HA 3.50 (# 140:20 Unique 2.75, 2.76 A)
&rst
ixpk= 140, nxpk= 20, iat= 141, 143, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:141 9 VAL HA 2.80 (# 141:20 Single Ambig)
&rst
ixpk= 141, nxpk= 20, iat= -1, 143, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 158, 159, 158, 159,
&end
#
# 9 VAL HB 9 VAL HA 2.80 (# 142:20 Unique 2.40, 2.53 A)
&rst
ixpk= 142, nxpk= 20, iat= 145, 143, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 25 PRO HB+ 9 VAL HA 3.50 (# 143:20 Unique 2.44, 2.90 A)
&rst
ixpk= 143, nxpk= 20, iat= -1, 143, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 399, 400,
&end
#
# 25 PRO HB- 9 VAL HA 4.50 (# 144:20 Unique 2.44, 2.90 A)
&rst
ixpk= 144, nxpk= 20, iat= -1, 143, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 399, 400,
&end
#
# 9 VAL MGY 9 VAL HA 2.80 (# 145:20 Unique 2.13, 3.43 A)
&rst
ixpk= 145, nxpk= 20, iat= -1, 143, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 147, 148, 149, 151, 152, 153,
&end
#
# 9 VAL MGX 9 VAL HA 3.50 (# 146:20 Unique 2.13, 3.43 A)
&rst
ixpk= 146, nxpk= 20, iat= -1, 143, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 147, 148, 149, 151, 152, 153,
&end
#
# 53 GLN HB- 53 GLN HA 2.80 (# 147:20 Unique 2.38, 2.75 A)
&rst
ixpk= 147, nxpk= 20, iat= -1, 839, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 841, 842,
&end
#
# 0 AMB 20-2:148 0 AMB 20-1:148 3.50 (# 148:20 Double Ambig)
&rst
ixpk= 148, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 872, 186,
igr2= 839, 143,
&end
#
# 53 GLN HB- 53 GLN HA 2.80 (# 149:20 Unique 2.38, 2.75 A)
&rst
ixpk= 149, nxpk= 20, iat= -1, 839, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 841, 842,
&end
#
# 0 AMB 20-2:150 0 AMB 20-1:150 3.50 (# 150:20 Double Ambig)
&rst
ixpk= 150, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 147, 148, 149, 151, 152, 153, 415, 416, 417, 419,
420, 421,
igr2= 143, 839,
&end
#
# 56 GLN HB+ 53 GLN HA 2.80 (# 151:20 Unique 2.40, 3.30 A)
&rst
ixpk= 151, nxpk= 20, iat= -1, 839, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 876, 877,
&end
#
# 26 LEU HN 7 VAL HA 4.50 (# 152:20 Unique 2.05, 2.89 A)
&rst
ixpk= 152, nxpk= 20, iat= 406, 103, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 7 VAL HN 7 VAL HA 3.50 (# 153:20 Unique 2.77, 2.81 A)
&rst
ixpk= 153, nxpk= 20, iat= 101, 103, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:154 7 VAL HA 4.50 (# 154:20 Single Ambig)
&rst
ixpk= 154, nxpk= 20, iat= -1, 103, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 373, 462,
&end
#
# 26 LEU HA 7 VAL HA 4.50 (# 155:20 Unique 3.42, 3.66 A)
&rst
ixpk= 155, nxpk= 20, iat= 408, 103, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 7 VAL HB 7 VAL HA 2.80 (# 156:20 Unique 2.37, 2.40 A)
&rst
ixpk= 156, nxpk= 20, iat= 105, 103, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 20-2:157 7 VAL HA 2.80 (# 157:20 Single Ambig)
&rst
ixpk= 157, nxpk= 20, iat= -1, 103, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 107, 108, 109, 111, 112, 113, 468, 469, 470, 472,
473, 474,
&end
#
# 7 VAL MGX 7 VAL HA 3.50 (# 158:20 Unique 2.43, 3.52 A)
&rst
ixpk= 158, nxpk= 20, iat= -1, 103, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 107, 108, 109, 111, 112, 113,
&end
#
# 8 ARG HN 7 VAL HA 3.50 (# 159:20 Unique 2.60, 3.37 A)
&rst
ixpk= 159, nxpk= 20, iat= 117, 103, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 44 VAL HN 69 VAL HA 3.50 (# 160:20 Unique 1.99, 2.79 A)
&rst
ixpk= 160, nxpk= 20, iat= 696,1078, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:161 69 VAL HA 2.80 (# 161:20 Single Ambig)
&rst
ixpk= 161, nxpk= 20, iat= -1,1078, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 702, 703, 704, 706, 707, 708,1082,1083,1084,1086,
1087,1088,1082,1083,1084,1086,1087,1088,
&end
#
# 44 VAL MGX 69 VAL HA 4.50 (# 162:20 Unique 2.07, 5.30 A)
&rst
ixpk= 162, nxpk= 20, iat= -1,1078, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 702, 703, 704, 706, 707, 708,
&end
#
# 70 GLU HN 69 VAL HA 2.80 (# 163:20 Unique 2.14, 2.24 A)
&rst
ixpk= 163, nxpk= 20, iat=1092,1078, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 69 VAL HN 69 VAL HA 3.50 (# 164:20 Unique 2.88, 2.91 A)
&rst
ixpk= 164, nxpk= 20, iat=1076,1078, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:165 69 VAL HA 2.80 (# 165:20 Single Ambig)
&rst
ixpk= 165, nxpk= 20, iat= -1,1078, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1080, 700,
&end
#
# 11 GLU HN 11 GLU HA 3.50 (# 166:20 Unique 2.76, 2.83 A)
&rst
ixpk= 166, nxpk= 20, iat= 171, 173, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 14 GLN HN 11 GLU HA 5.50 (# 167:20 Unique 3.84, 4.26 A)
&rst
ixpk= 167, nxpk= 20, iat= 224, 173, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:168 0 AMB 20-1:168 2.80 (# 168:20 Double Ambig)
&rst
ixpk= 168, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 928, 929, 178, 179, 178, 179,
igr2= 923, 173,
&end
#
# 0 AMB 20-2:169 11 GLU HA 2.80 (# 169:20 Single Ambig)
&rst
ixpk= 169, nxpk= 20, iat= -1, 173, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 175, 176, 175, 176,
&end
#
# 30 LYS HN 30 LYS HA 2.80 (# 170:20 Unique 2.71, 2.82 A)
&rst
ixpk= 170, nxpk= 20, iat= 478, 480, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 31 GLU HN 30 LYS HA 3.50 (# 171:20 Unique 3.50, 3.54 A)
&rst
ixpk= 171, nxpk= 20, iat= 500, 480, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 64 MET ME 30 LYS HA 3.50 (# 172:20 Unique 1.99, 3.61 A)
&rst
ixpk= 172, nxpk= 20, iat= -1, 480, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1011,1012,1013,
&end
#
# 0 AMB 20-2:173 30 LYS HA 4.50 (# 173:20 Single Ambig)
&rst
ixpk= 173, nxpk= 20, iat= -1, 480, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 466, 504, 505, 504, 505,
&end
#
# 0 AMB 20-2:174 0 AMB 20-1:174 2.80 (# 174:20 Double Ambig)
&rst
ixpk= 174, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 482, 483, 959, 960,
igr2= 480, 901,
&end
#
# 30 LYS HG- 30 LYS HA 2.80 (# 175:20 Unique 2.03, 2.66 A)
&rst
ixpk= 175, nxpk= 20, iat= -1, 480, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 485, 486,
&end
#
# 0 AMB 20-2:176 58 LYS HA 3.50 (# 176:20 Single Ambig)
&rst
ixpk= 176, nxpk= 20, iat= -1, 901, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 899, 955,
&end
#
# 59 GLU HN 58 LYS HA 4.50 (# 177:20 Unique 3.44, 3.49 A)
&rst
ixpk= 177, nxpk= 20, iat= 921, 901, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 30 LYS HG+ 30 LYS HA 2.80 (# 178:20 Unique 2.03, 2.66 A)
&rst
ixpk= 178, nxpk= 20, iat= -1, 480, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 485, 486,
&end
#
# 58 LYS HG- 58 LYS HA 2.80 (# 179:20 Unique 2.02, 2.99 A)
&rst
ixpk= 179, nxpk= 20, iat= -1, 901, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 906, 907,
&end
#
# 33 ILE QG2 30 LYS HA 3.50 (# 180:20 Unique 2.87, 3.94 A)
&rst
ixpk= 180, nxpk= 20, iat= -1, 480, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 545, 546, 547,
&end
#
# 61 LEU MDY 0 AMB 20-1:181 3.50 (# 181:20 Single Ambig)
&rst
ixpk= 181, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 964, 965, 966, 968, 969, 970,
igr2= 480, 901,
&end
#
# 66 TYR HN 66 TYR HA 3.50 (# 182:20 Unique 2.76, 2.80 A)
&rst
ixpk= 182, nxpk= 20, iat=1024,1026, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 67 THR HN 66 TYR HA 2.80 (# 183:20 Unique 2.14, 2.20 A)
&rst
ixpk= 183, nxpk= 20, iat=1045,1026, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 66 TYR HD 66 TYR HA 5.50 (# 184:20 Unique 2.07, 3.46 A)
&rst
ixpk= 184, nxpk= 20, iat= -1,1026, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1032,1041,
&end
#
# 66 TYR HB+ 66 TYR HA 3.50 (# 185:20 Unique 2.47, 2.78 A)
&rst
ixpk= 185, nxpk= 20, iat= -1,1026, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1028,1029,
&end
#
# 66 TYR HB- 66 TYR HA 3.50 (# 186:20 Unique 2.47, 2.78 A)
&rst
ixpk= 186, nxpk= 20, iat= -1,1026, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1028,1029,
&end
#
# 40 LYS HB+ 66 TYR HA 3.50 (# 187:20 Unique 2.24, 3.76 A)
&rst
ixpk= 187, nxpk= 20, iat= -1,1026, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 638, 639,
&end
#
# 40 LYS HB- 66 TYR HA 3.50 (# 188:20 Unique 2.24, 3.76 A)
&rst
ixpk= 188, nxpk= 20, iat= -1,1026, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 638, 639,
&end
#
# 67 THR MG2 66 TYR HA 3.50 (# 189:20 Unique 3.31, 4.53 A)
&rst
ixpk= 189, nxpk= 20, iat= -1,1026, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1051,1052,1053,
&end
#
# 0 AMB 20-2:190 66 TYR HA 4.50 (# 190:20 Single Ambig)
&rst
ixpk= 190, nxpk= 20, iat= -1,1026, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088, 702, 703, 704, 706, 707, 708,
&end
#
# 40 LYS HA 66 TYR HA 4.50 (# 191:20 Unique 2.77, 3.26 A)
&rst
ixpk= 191, nxpk= 20, iat= 636,1026, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 83 VAL HN 83 VAL HA 3.50 (# 192:20 Unique 2.92, 2.94 A)
&rst
ixpk= 192, nxpk= 20, iat=1280,1282, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 84 LYS HN 83 VAL HA 2.80 (# 193:20 Unique 2.14, 2.18 A)
&rst
ixpk= 193, nxpk= 20, iat=1296,1282, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 20-2:194 83 VAL HA 2.80 (# 194:20 Single Ambig)
&rst
ixpk= 194, nxpk= 20, iat= -1,1282, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
igr1=1284,1303,1304,1303,1304,
&end
#
# 83 VAL MGY 83 VAL HA 3.50 (# 195:20 Unique 2.27, 3.20 A)
&rst
ixpk= 195, nxpk= 20, iat= -1,1282, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1286,1287,1288,1290,1291,1292,
&end
#
# 83 VAL MGX 83 VAL HA 3.50 (# 196:20 Unique 2.27, 3.20 A)
&rst
ixpk= 196, nxpk= 20, iat= -1,1282, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1286,1287,1288,1290,1291,1292,
&end
#
# 0 AMB 20-2:197 0 AMB 20-1:197 3.50 (# 197:20 Double Ambig)
&rst
ixpk= 197, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 921, 186,
igr2= 923, 173,
&end
#
# 0 AMB 20-2:198 0 AMB 20-1:198 3.50 (# 198:20 Double Ambig)
&rst
ixpk= 198, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 928, 929, 231, 232,
igr2= 923, 173,
&end
#
# 0 AMB 20-2:199 59 GLU HA 2.80 (# 199:20 Single Ambig)
&rst
ixpk= 199, nxpk= 20, iat= -1, 923, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 925, 926, 925, 926,
&end
#
# 71 ASN HD2+ 58 LYS HA 4.50 (# 200:20 Unique 4.62, 5.23 A)
&rst
ixpk= 200, nxpk= 20, iat= -1, 901, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1116,1117,
&end
#
# 22 ILE HN 22 ILE HA 3.50 (# 201:20 Unique 2.85, 2.93 A)
&rst
ixpk= 201, nxpk= 20, iat= 340, 342, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 23 ASN HN 22 ILE HA 3.50 (# 202:20 Unique 2.29, 2.75 A)
&rst
ixpk= 202, nxpk= 20, iat= 359, 342, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 22 ILE HB 22 ILE HA 3.50 (# 203:20 Unique 2.99, 3.01 A)
&rst
ixpk= 203, nxpk= 20, iat= 344, 342, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 22 ILE HG1- 22 ILE HA 4.50 (# 204:20 Unique 2.63, 3.42 A)
&rst
ixpk= 204, nxpk= 20, iat= -1, 342, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 350, 351,
&end
#
# 22 ILE QG2 22 ILE HA 2.80 (# 205:20 Unique 2.19, 2.98 A)
&rst
ixpk= 205, nxpk= 20, iat= -1, 342, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 346, 347, 348,
&end
#
# 22 ILE HG1+ 22 ILE HA 3.50 (# 206:20 Unique 2.63, 3.42 A)
&rst
ixpk= 206, nxpk= 20, iat= -1, 342, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 350, 351,
&end
#
# 0 AMB 20-2:207 59 GLU HA 5.50 (# 207:20 Single Ambig)
&rst
ixpk= 207, nxpk= 20, iat= -1, 923, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 884, 885,1000,
&end
#
# 0 AMB 20-2:208 52 ARG HA 4.50 (# 208:20 Single Ambig)
&rst
ixpk= 208, nxpk= 20, iat= -1, 815, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 823, 824, 823, 824,
&end
#
# 0 AMB 20-2:209 52 ARG HA 2.80 (# 209:20 Single Ambig)
&rst
ixpk= 209, nxpk= 20, iat= -1, 815, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 817, 818, 817, 818,
&end
#
# 52 ARG HG+ 52 ARG HA 3.50 (# 210:20 Unique 2.44, 3.38 A)
&rst
ixpk= 210, nxpk= 20, iat= -1, 815, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 820, 821,
&end
#
# 63 GLU HN 63 GLU HA 2.80 (# 211:20 Unique 2.78, 2.81 A)
&rst
ixpk= 211, nxpk= 20, iat= 985, 987, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 63 GLU HG+ 63 GLU HA 3.50 (# 212:20 Unique 2.05, 3.01 A)
&rst
ixpk= 212, nxpk= 20, iat= -1, 987, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 992, 993,
&end
#
# 0 AMB 20-2:213 63 GLU HA 2.80 (# 213:20 Single Ambig)
&rst
ixpk= 213, nxpk= 20, iat= -1, 987, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 989, 990, 989, 990,
&end
#
# 0 AMB 20-2:217 56 GLN HA 4.50 (# 217:20 Single Ambig)
&rst
ixpk= 217, nxpk= 20, iat= -1, 874, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 889, 899,
&end
#
# 0 AMB 20-2:218 0 AMB 20-1:218 3.50 (# 218:20 Double Ambig)
&rst
ixpk= 218, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 872, 186,
igr2= 874, 188,
&end
#
# 0 AMB 20-2:219 56 GLN HA 2.80 (# 219:20 Single Ambig)
&rst
ixpk= 219, nxpk= 20, iat= -1, 874, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 879, 880, 876, 877,
&end
#
# 0 AMB 20-2:220 56 GLN HA 2.80 (# 220:20 Single Ambig)
&rst
ixpk= 220, nxpk= 20, iat= -1, 874, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 876, 877, 925, 926, 925, 926,
&end
#
# 0 AMB 20-2:221 63 GLU HA 3.50 (# 221:20 Single Ambig)
&rst
ixpk= 221, nxpk= 20, iat= -1, 987, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1000,1017,
&end
#
# 85 GLY HN 15 GLN HA 3.50 (# 222:20 Unique 2.65, 3.27 A)
&rst
ixpk= 222, nxpk= 20, iat=1318, 243, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 16 GLU HN 15 GLN HA 3.50 (# 223:20 Unique 2.25, 3.14 A)
&rst
ixpk= 223, nxpk= 20, iat= 258, 243, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 15 GLN HN 15 GLN HA 3.50 (# 224:20 Unique 2.76, 2.85 A)
&rst
ixpk= 224, nxpk= 20, iat= 241, 243, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:225 15 GLN HA 2.80 (# 225:20 Single Ambig)
&rst
ixpk= 225, nxpk= 20, iat= -1, 243, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 245, 246, 245, 246,
&end
#
# 12 GLN HN 12 GLN HA 3.50 (# 230:20 Unique 2.83, 2.89 A)
&rst
ixpk= 230, nxpk= 20, iat= 186, 188, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:231 12 GLN HA 4.50 (# 231:20 Single Ambig)
&rst
ixpk= 231, nxpk= 20, iat= -1, 188, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 203, 258,
&end
#
# 15 GLN HN 12 GLN HA 4.50 (# 232:20 Unique 2.93, 3.79 A)
&rst
ixpk= 232, nxpk= 20, iat= 241, 188, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 12 GLN HG+ 12 GLN HA 2.80 (# 233:20 Unique 2.15, 2.91 A)
&rst
ixpk= 233, nxpk= 20, iat= -1, 188, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 193, 194,
&end
#
# 0 AMB 20-2:234 12 GLN HA 2.80 (# 234:20 Single Ambig)
&rst
ixpk= 234, nxpk= 20, iat= -1, 188, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 248, 249, 193, 194,
&end
#
# 0 AMB 20-2:235 12 GLN HA 2.80 (# 235:20 Single Ambig)
&rst
ixpk= 235, nxpk= 20, iat= -1, 188, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 245, 246, 245, 246,
&end
#
# 27 LYS HN 27 LYS HA 2.80 (# 236:20 Unique 2.69, 2.82 A)
&rst
ixpk= 236, nxpk= 20, iat= 425, 427, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 20-2:237 0 AMB 20-1:237 2.80 (# 237:20 Double Ambig)
&rst
ixpk= 237, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.11, r4= 4.86,
igr1= 429, 430, 596, 410, 411,
igr2= 427, 594,
&end
#
# 0 AMB 20-2:238 0 AMB 20-1:238 3.50 (# 238:20 Double Ambig)
&rst
ixpk= 238, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.27, r4= 7.02,
igr1= 432, 433, 432, 433, 598, 599, 600, 602, 603, 604,
377,
igr2= 427, 594, 375,
&end
#
# 0 AMB 20-2:239 0 AMB 20-1:239 3.50 (# 239:20 Double Ambig)
&rst
ixpk= 239, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 592, 447,
igr2= 594, 427, 375,
&end
#
# 38 PRO HD+ 37 VAL HA 2.80 (# 240:20 Unique 2.05, 2.55 A)
&rst
ixpk= 240, nxpk= 20, iat= -1, 594, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 609, 610,
&end
#
# 25 PRO HD+ 24 ILE HA 2.80 (# 241:20 Unique 1.91, 2.24 A)
&rst
ixpk= 241, nxpk= 20, iat= -1, 375, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 393, 394,
&end
#
# 0 AMB 20-2:242 0 AMB 20-1:242 2.80 (# 242:20 Double Ambig)
&rst
ixpk= 242, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 393, 394, 609, 610,
igr2= 375, 594,
&end
#
# 0 AMB 20-2:243 24 ILE HA 3.50 (# 243:20 Single Ambig)
&rst
ixpk= 243, nxpk= 20, iat= -1, 375, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 383, 384, 468, 469, 470, 472, 473, 474,
&end
#
# 24 ILE QG2 24 ILE HA 2.80 (# 244:20 Unique 1.97, 2.89 A)
&rst
ixpk= 244, nxpk= 20, iat= -1, 375, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 379, 380, 381,
&end
#
# 37 VAL MGX 37 VAL HA 2.80 (# 245:20 Unique 2.25, 3.11 A)
&rst
ixpk= 245, nxpk= 20, iat= -1, 594, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 598, 599, 600, 602, 603, 604,
&end
#
# 15 GLN HG+ 15 GLN HA 3.50 (# 246:20 Unique 2.08, 2.92 A)
&rst
ixpk= 246, nxpk= 20, iat= -1, 243, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 248, 249,
&end
#
# 15 GLN HG- 15 GLN HA 3.50 (# 247:20 Unique 2.08, 2.92 A)
&rst
ixpk= 247, nxpk= 20, iat= -1, 243, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 248, 249,
&end
#
# 76 LYS HN 76 LYS HA 3.50 (# 249:20 Unique 2.76, 2.86 A)
&rst
ixpk= 249, nxpk= 20, iat=1164,1166, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 77 ASP HN 76 LYS HA 4.50 (# 250:20 Unique 2.39, 3.18 A)
&rst
ixpk= 250, nxpk= 20, iat=1186,1166, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 76 LYS HB+ 76 LYS HA 2.80 (# 251:20 Unique 2.39, 2.78 A)
&rst
ixpk= 251, nxpk= 20, iat= -1,1166, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1168,1169,
&end
#
# 0 AMB 20-2:252 76 LYS HA 3.50 (# 252:20 Single Ambig)
&rst
ixpk= 252, nxpk= 20, iat= -1,1166, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1171,1172,1171,1172,
&end
#
# 27 LYS HN 26 LEU HA 5.50 (# 253:20 Unique 3.28, 3.44 A)
&rst
ixpk= 253, nxpk= 20, iat= 425, 408, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 26 LEU HN 26 LEU HA 3.50 (# 254:20 Unique 2.28, 2.60 A)
&rst
ixpk= 254, nxpk= 20, iat= 406, 408, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 29 VAL HN 26 LEU HA 3.50 (# 255:20 Unique 3.07, 3.39 A)
&rst
ixpk= 255, nxpk= 20, iat= 462, 408, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 7 VAL HB 26 LEU HA 3.50 (# 256:20 Unique 2.73, 3.14 A)
&rst
ixpk= 256, nxpk= 20, iat= 105, 408, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 29 VAL HB 26 LEU HA 3.50 (# 257:20 Unique 1.98, 2.66 A)
&rst
ixpk= 257, nxpk= 20, iat= 466, 408, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 26 LEU HB+ 26 LEU HA 2.80 (# 258:20 Unique 2.34, 2.78 A)
&rst
ixpk= 258, nxpk= 20, iat= -1, 408, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 410, 411,
&end
#
# 26 LEU HG 26 LEU HA 3.50 (# 259:20 Unique 2.26, 2.86 A)
&rst
ixpk= 259, nxpk= 20, iat= 413, 408, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:260 26 LEU HA 2.80 (# 260:20 Single Ambig)
&rst
ixpk= 260, nxpk= 20, iat= -1, 408, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
igr1= 410, 411, 893, 894, 895,
&end
#
# 0 AMB 20-2:261 26 LEU HA 2.80 (# 261:20 Single Ambig)
&rst
ixpk= 261, nxpk= 20, iat= -1, 408, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 415, 416, 417, 419, 420, 421, 468, 469, 470, 472,
473, 474,
&end
#
# 0 AMB 20-2:262 0 AMB 20-1:262 3.50 (# 262:20 Double Ambig)
&rst
ixpk= 262, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 955, 592,
igr2= 957, 594,
&end
#
# 39 ASP HN 37 VAL HA 3.50 (# 263:20 Unique 3.09, 3.16 A)
&rst
ixpk= 263, nxpk= 20, iat= 622, 594, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:264 24 ILE HA 3.50 (# 264:20 Single Ambig)
&rst
ixpk= 264, nxpk= 20, iat= -1, 375, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 373, 462,
&end
#
# 19 GLN HB+ 19 GLN HA 2.80 (# 265:20 Unique 2.39, 2.77 A)
&rst
ixpk= 265, nxpk= 20, iat= -1, 308, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 310, 311,
&end
#
# 78 ILE HG1- 75 LEU HA 3.50 (# 266:20 Unique 2.40, 3.90 A)
&rst
ixpk= 266, nxpk= 20, iat= -1,1147, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1208,1209,
&end
#
# 75 LEU HN 75 LEU HA 3.50 (# 267:20 Unique 2.76, 2.87 A)
&rst
ixpk= 267, nxpk= 20, iat=1145,1147, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 75 LEU HB+ 75 LEU HA 3.50 (# 268:20 Unique 2.35, 2.76 A)
&rst
ixpk= 268, nxpk= 20, iat= -1,1147, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1149,1150,
&end
#
# 0 AMB 20-2:269 75 LEU HA 3.50 (# 269:20 Single Ambig)
&rst
ixpk= 269, nxpk= 20, iat= -1,1147, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1154,1155,1156,1158,1159,1160,1208,1209,
&end
#
# 75 LEU MDY 75 LEU HA 2.80 (# 270:20 Unique 2.00, 3.88 A)
&rst
ixpk= 270, nxpk= 20, iat= -1,1147, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1154,1155,1156,1158,1159,1160,
&end
#
# 78 ILE QD1 75 LEU HA 2.80 (# 271:20 Unique 2.01, 3.25 A)
&rst
ixpk= 271, nxpk= 20, iat= -1,1147, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1211,1212,1213,
&end
#
# 0 AMB 20-2:272 46 VAL HA 2.80 (# 272:20 Single Ambig)
&rst
ixpk= 272, nxpk= 20, iat= -1, 736, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 750, 734,
&end
#
# 0 AMB 20-2:273 46 VAL HA 2.80 (# 273:20 Single Ambig)
&rst
ixpk= 273, nxpk= 20, iat= -1, 736, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 738, 74,
&end
#
# 46 VAL MGX 46 VAL HA 3.50 (# 274:20 Unique 2.20, 3.45 A)
&rst
ixpk= 274, nxpk= 20, iat= -1, 736, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 740, 741, 742, 744, 745, 746,
&end
#
# 0 AMB 20-2:275 46 VAL HA 2.80 (# 275:20 Single Ambig)
&rst
ixpk= 275, nxpk= 20, iat= -1, 736, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 740, 741, 742, 744, 745, 746, 107, 108, 109, 111,
112, 113,
&end
#
# 0 AMB 20-2:276 46 VAL HA 4.50 (# 276:20 Single Ambig)
&rst
ixpk= 276, nxpk= 20, iat= -1, 736, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1= 716, 717, 83, 84, 85, 719, 720,
&end
#
# 5 ILE HN 46 VAL HA 3.50 (# 277:20 Unique 3.10, 3.44 A)
&rst
ixpk= 277, nxpk= 20, iat= 70, 736, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:278 48 CYS HA 5.50 (# 278:20 Single Ambig)
&rst
ixpk= 278, nxpk= 20, iat= -1, 773, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 127, 128, 786, 787,
&end
#
# 48 CYS HB- 48 CYS HA 4.50 (# 279:20 Unique 2.34, 2.50 A)
&rst
ixpk= 279, nxpk= 20, iat= -1, 773, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 775, 776,
&end
#
# 8 ARG HG- 48 CYS HA 3.50 (# 280:20 Unique 1.98, 3.24 A)
&rst
ixpk= 280, nxpk= 20, iat= -1, 773, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 124, 125,
&end
#
# 48 CYS HB+ 48 CYS HA 4.50 (# 281:20 Unique 2.34, 2.50 A)
&rst
ixpk= 281, nxpk= 20, iat= -1, 773, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 775, 776,
&end
#
# 32 ARG HN 31 GLU HA 3.50 (# 282:20 Unique 3.19, 3.26 A)
&rst
ixpk= 282, nxpk= 20, iat= 515, 502, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 31 GLU HN 31 GLU HA 3.50 (# 283:20 Unique 2.93, 2.94 A)
&rst
ixpk= 283, nxpk= 20, iat= 500, 502, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:284 31 GLU HA 2.80 (# 284:20 Single Ambig)
&rst
ixpk= 284, nxpk= 20, iat= -1, 502, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 507, 508, 507, 508,
&end
#
# 0 AMB 20-2:285 31 GLU HA 2.80 (# 285:20 Single Ambig)
&rst
ixpk= 285, nxpk= 20, iat= -1, 502, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 504, 505, 504, 505,
&end
#
# 0 AMB 20-2:286 31 GLU HA 5.50 (# 286:20 Single Ambig)
&rst
ixpk= 286, nxpk= 20, iat= -1, 502, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 488, 489, 488, 489,
&end
#
# 64 MET HN 61 LEU HA 3.50 (# 287:20 Unique 3.34, 3.47 A)
&rst
ixpk= 287, nxpk= 20, iat=1000, 957, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:289 61 LEU HA 3.50 (# 289:20 Single Ambig)
&rst
ixpk= 289, nxpk= 20, iat= -1, 957, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1007,1008,1004,1005,
&end
#
# 64 MET HB- 61 LEU HA 2.80 (# 290:20 Unique 2.02, 3.26 A)
&rst
ixpk= 290, nxpk= 20, iat= -1, 957, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1004,1005,
&end
#
# 0 AMB 20-2:291 0 AMB 20-1:291 2.80 (# 291:20 Double Ambig)
&rst
ixpk= 291, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 962, 413, 485, 486, 485, 486,
igr2= 957, 427,
&end
#
# 61 LEU HB- 61 LEU HA 2.80 (# 292:20 Unique 2.42, 2.74 A)
&rst
ixpk= 292, nxpk= 20, iat= -1, 957, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 959, 960,
&end
#
# 61 LEU MDX 61 LEU HA 2.80 (# 293:20 Unique 2.46, 3.98 A)
&rst
ixpk= 293, nxpk= 20, iat= -1, 957, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 964, 965, 966, 968, 969, 970,
&end
#
# 0 AMB 20-2:294 19 GLN HA 4.50 (# 294:20 Single Ambig)
&rst
ixpk= 294, nxpk= 20, iat= -1, 308, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 330,1280,
&end
#
# 19 GLN HB- 19 GLN HA 2.80 (# 296:20 Unique 2.39, 2.77 A)
&rst
ixpk= 296, nxpk= 20, iat= -1, 308, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 310, 311,
&end
#
# 83 VAL MGY 19 GLN HA 3.50 (# 297:20 Unique 2.12, 4.62 A)
&rst
ixpk= 297, nxpk= 20, iat= -1, 308, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1286,1287,1288,1290,1291,1292,
&end
#
# 20 GLY HN 19 GLN HA 3.50 (# 298:20 Unique 2.14, 2.56 A)
&rst
ixpk= 298, nxpk= 20, iat= 323, 308, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 19 GLN HN 19 GLN HA 3.50 (# 299:20 Unique 2.76, 2.80 A)
&rst
ixpk= 299, nxpk= 20, iat= 306, 308, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 19 GLN HG- 19 GLN HA 2.80 (# 300:20 Unique 2.09, 2.80 A)
&rst
ixpk= 300, nxpk= 20, iat= -1, 308, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 313, 314,
&end
#
# 14 GLN HN 14 GLN HA 3.50 (# 301:20 Unique 2.76, 2.87 A)
&rst
ixpk= 301, nxpk= 20, iat= 224, 226, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 15 GLN HN 14 GLN HA 4.50 (# 302:20 Unique 2.75, 3.17 A)
&rst
ixpk= 302, nxpk= 20, iat= 241, 226, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:304 14 GLN HA 3.50 (# 304:20 Single Ambig)
&rst
ixpk= 304, nxpk= 20, iat= -1, 226, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 231, 232, 231, 232,
&end
#
# 0 AMB 20-2:305 14 GLN HA 2.80 (# 305:20 Single Ambig)
&rst
ixpk= 305, nxpk= 20, iat= -1, 226, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 228, 229, 228, 229,
&end
#
# 41 ASN HN 40 LYS HA 3.50 (# 306:20 Unique 2.74, 3.10 A)
&rst
ixpk= 306, nxpk= 20, iat= 656, 636, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 40 LYS HN 40 LYS HA 3.50 (# 307:20 Unique 2.27, 2.46 A)
&rst
ixpk= 307, nxpk= 20, iat= 634, 636, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 78 ILE HN 75 LEU HA 4.50 (# 308:20 Unique 3.34, 3.92 A)
&rst
ixpk= 308, nxpk= 20, iat=1198,1147, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 66 TYR HE 40 LYS HA 3.50 (# 309:20 Unique 2.18, 4.44 A)
&rst
ixpk= 309, nxpk= 20, iat= -1, 636, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1034,1039,
&end
#
# 66 TYR HA 40 LYS HA 3.50 (# 311:20 Unique 2.77, 3.26 A)
&rst
ixpk= 311, nxpk= 20, iat=1026, 636, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:312 0 AMB 20-1:312 3.50 (# 312:20 Double Ambig)
&rst
ixpk= 312, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 638, 639,1268,1269,
igr2= 636,1147,
&end
#
# 0 AMB 20-2:313 40 LYS HA 3.50 (# 313:20 Single Ambig)
&rst
ixpk= 313, nxpk= 20, iat= -1, 636, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 644, 645, 641, 642,
&end
#
# 40 LYS HG- 40 LYS HA 2.80 (# 314:20 Unique 2.13, 2.86 A)
&rst
ixpk= 314, nxpk= 20, iat= -1, 636, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 641, 642,
&end
#
# 40 LYS HB+ 40 LYS HA 2.80 (# 315:20 Unique 2.43, 2.78 A)
&rst
ixpk= 315, nxpk= 20, iat= -1, 636, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 638, 639,
&end
#
# 0 AMB 20-2:316 47 TYR HA 3.50 (# 316:20 Single Ambig)
&rst
ixpk= 316, nxpk= 20, iat= -1, 752, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 750,1138,
&end
#
# 54 SER HB+ 47 TYR HA 3.50 (# 317:20 Unique 2.84, 3.70 A)
&rst
ixpk= 317, nxpk= 20, iat= -1, 752, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 858, 859,
&end
#
# 47 TYR HB+ 47 TYR HA 2.80 (# 318:20 Unique 2.36, 2.46 A)
&rst
ixpk= 318, nxpk= 20, iat= -1, 752, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 754, 755,
&end
#
# 0 AMB 20-2:319 47 TYR HA 3.50 (# 319:20 Single Ambig)
&rst
ixpk= 319, nxpk= 20, iat= -1, 752, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 858, 859,1133,1134,
&end
#
# 47 TYR HB- 47 TYR HA 3.50 (# 320:20 Unique 2.36, 2.46 A)
&rst
ixpk= 320, nxpk= 20, iat= -1, 752, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 754, 755,
&end
#
# 72 ALA MB 47 TYR HA 5.50 (# 321:20 Unique 2.07, 3.68 A)
&rst
ixpk= 321, nxpk= 20, iat= -1, 752, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1125,1126,1127,
&end
#
# 32 ARG HN 32 ARG HA 3.50 (# 322:20 Unique 2.75, 2.91 A)
&rst
ixpk= 322, nxpk= 20, iat= 515, 517, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:323 32 ARG HA 3.50 (# 323:20 Single Ambig)
&rst
ixpk= 323, nxpk= 20, iat= -1, 517, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 525, 526, 525, 526,
&end
#
# 28 GLU HG+ 32 ARG HA 5.50 (# 324:20 Unique 4.95, 6.34 A)
&rst
ixpk= 324, nxpk= 20, iat= -1, 517, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 454, 455,
&end
#
# 0 AMB 20-2:325 32 ARG HA 2.80 (# 325:20 Single Ambig)
&rst
ixpk= 325, nxpk= 20, iat= -1, 517, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 522, 523, 519, 520,
&end
#
# 0 AMB 20-2:326 32 ARG HA 5.50 (# 326:20 Single Ambig)
&rst
ixpk= 326, nxpk= 20, iat= -1, 517, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 574, 575, 576, 549, 550,
&end
#
# 0 AMB 20-2:327 32 ARG HA 5.50 (# 327:20 Single Ambig)
&rst
ixpk= 327, nxpk= 20, iat= -1, 517, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 379, 380, 381, 386, 387, 388,
&end
#
# 33 ILE HN 32 ARG HA 3.50 (# 328:20 Unique 3.52, 3.54 A)
&rst
ixpk= 328, nxpk= 20, iat= 539, 517, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 32 ARG HG- 32 ARG HA 2.80 (# 329:20 Unique 2.07, 2.98 A)
&rst
ixpk= 329, nxpk= 20, iat= -1, 517, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 522, 523,
&end
#
# 5 ILE HN 4 TRP HA 2.80 (# 330:20 Unique 2.14, 2.17 A)
&rst
ixpk= 330, nxpk= 20, iat= 70, 48, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 4 TRP HN 4 TRP HA 3.50 (# 331:20 Unique 2.88, 2.92 A)
&rst
ixpk= 331, nxpk= 20, iat= 46, 48, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 45 LYS HN 4 TRP HA 3.50 (# 332:20 Unique 3.21, 3.48 A)
&rst
ixpk= 332, nxpk= 20, iat= 712, 48, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 4 TRP HB+ 4 TRP HA 2.80 (# 334:20 Unique 2.50, 2.80 A)
&rst
ixpk= 334, nxpk= 20, iat= -1, 48, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 50, 51,
&end
#
# 0 AMB 20-2:335 4 TRP HA 4.50 (# 335:20 Single Ambig)
&rst
ixpk= 335, nxpk= 20, iat= -1, 48, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 334, 335, 336, 74, 18, 19,
&end
#
# 0 AMB 20-2:336 4 TRP HA 5.50 (# 336:20 Single Ambig)
&rst
ixpk= 336, nxpk= 20, iat= -1, 48, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 80, 81, 80, 81,
&end
#
# 0 AMB 20-2:337 4 TRP HA 3.50 (# 337:20 Single Ambig)
&rst
ixpk= 337, nxpk= 20, iat= -1, 48, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 719, 720, 702, 703, 704, 706, 707, 708,
&end
#
# 45 LYS HB+ 4 TRP HA 2.80 (# 338:20 Unique 1.97, 2.78 A)
&rst
ixpk= 338, nxpk= 20, iat= -1, 48, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 716, 717,
&end
#
# 75 LEU HB+ 49 ASN HA 5.50 (# 339:20 Unique 2.17, 4.39 A)
&rst
ixpk= 339, nxpk= 20, iat= -1, 784, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1149,1150,
&end
#
# 49 ASN HB+ 49 ASN HA 3.50 (# 340:20 Unique 2.34, 2.76 A)
&rst
ixpk= 340, nxpk= 20, iat= -1, 784, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 786, 787,
&end
#
# 49 ASN HB- 49 ASN HA 3.50 (# 341:20 Unique 2.34, 2.76 A)
&rst
ixpk= 341, nxpk= 20, iat= -1, 784, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 786, 787,
&end
#
# 75 LEU HB- 49 ASN HA 4.50 (# 342:20 Unique 2.17, 4.39 A)
&rst
ixpk= 342, nxpk= 20, iat= -1, 784, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1149,1150,
&end
#
# 17 HIS HN 16 GLU HA 3.50 (# 343:20 Unique 2.14, 2.25 A)
&rst
ixpk= 343, nxpk= 20, iat= 273, 260, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 16 GLU HN 16 GLU HA 4.50 (# 344:20 Unique 2.27, 2.64 A)
&rst
ixpk= 344, nxpk= 20, iat= 258, 260, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 16 GLU HB+ 16 GLU HA 3.50 (# 345:20 Unique 2.37, 2.71 A)
&rst
ixpk= 345, nxpk= 20, iat= -1, 260, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 262, 263,
&end
#
# 16 GLU HG+ 16 GLU HA 3.50 (# 346:20 Unique 2.13, 3.04 A)
&rst
ixpk= 346, nxpk= 20, iat= -1, 260, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 265, 266,
&end
#
# 0 AMB 20-2:347 16 GLU HA 3.50 (# 347:20 Single Ambig)
&rst
ixpk= 347, nxpk= 20, iat= -1, 260, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 265, 266, 262, 263,
&end
#
# 0 AMB 20-2:348 16 GLU HA 4.50 (# 348:20 Single Ambig)
&rst
ixpk= 348, nxpk= 20, iat= -1, 260, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1303,1304,1303,1304,1262,1263,
&end
#
# 64 MET HG+ 64 MET HA 3.50 (# 349:20 Unique 2.03, 2.76 A)
&rst
ixpk= 349, nxpk= 20, iat= -1,1002, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1007,1008,
&end
#
# 64 MET HB- 64 MET HA 3.50 (# 350:20 Unique 2.52, 2.82 A)
&rst
ixpk= 350, nxpk= 20, iat= -1,1002, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1004,1005,
&end
#
# 64 MET ME 64 MET HA 5.50 (# 351:20 Unique 4.26, 5.32 A)
&rst
ixpk= 351, nxpk= 20, iat= -1,1002, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1011,1012,1013,
&end
#
# 0 AMB 20-2:352 64 MET HA 3.50 (# 352:20 Single Ambig)
&rst
ixpk= 352, nxpk= 20, iat= -1,1002, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1000,1017,
&end
#
# 0 AMB 20-2:353 64 MET HA 2.80 (# 353:20 Single Ambig)
&rst
ixpk= 353, nxpk= 20, iat= -1,1002, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1007,1008,1004,1005,
&end
#
# 0 AMB 20-2:354 8 ARG HA 3.50 (# 354:20 Single Ambig)
&rst
ixpk= 354, nxpk= 20, iat= -1, 119, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 849, 850, 117,
&end
#
# 9 VAL HN 8 ARG HA 2.80 (# 355:20 Unique 2.24, 2.31 A)
&rst
ixpk= 355, nxpk= 20, iat= 141, 119, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 8 ARG HB+ 8 ARG HA 2.80 (# 356:20 Unique 2.36, 2.70 A)
&rst
ixpk= 356, nxpk= 20, iat= -1, 119, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 121, 122,
&end
#
# 8 ARG HB- 8 ARG HA 2.80 (# 357:20 Unique 2.36, 2.70 A)
&rst
ixpk= 357, nxpk= 20, iat= -1, 119, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 121, 122,
&end
#
# 0 AMB 20-2:358 8 ARG HA 3.50 (# 358:20 Single Ambig)
&rst
ixpk= 358, nxpk= 20, iat= -1, 119, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 124, 125, 841, 842,
&end
#
# 9 VAL MGX 8 ARG HA 5.50 (# 359:20 Unique 3.86, 5.04 A)
&rst
ixpk= 359, nxpk= 20, iat= -1, 119, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 147, 148, 149, 151, 152, 153,
&end
#
# 0 AMB 20-2:360 28 GLU HA 3.50 (# 360:20 Single Ambig)
&rst
ixpk= 360, nxpk= 20, iat= -1, 449, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 447, 478,
&end
#
# 29 VAL HN 28 GLU HA 3.50 (# 361:20 Unique 3.41, 3.49 A)
&rst
ixpk= 361, nxpk= 20, iat= 462, 449, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 31 GLU HN 28 GLU HA 4.50 (# 362:20 Unique 3.20, 3.39 A)
&rst
ixpk= 362, nxpk= 20, iat= 500, 449, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:363 28 GLU HA 2.80 (# 363:20 Single Ambig)
&rst
ixpk= 363, nxpk= 20, iat= -1, 449, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 454, 455, 451, 452,
&end
#
# 0 AMB 20-2:364 28 GLU HA 2.80 (# 364:20 Single Ambig)
&rst
ixpk= 364, nxpk= 20, iat= -1, 449, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 454, 455, 504, 505,
&end
#
# 0 AMB 20-2:365 28 GLU HA 3.50 (# 365:20 Single Ambig)
&rst
ixpk= 365, nxpk= 20, iat= -1, 449, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 451, 452, 522, 523, 519, 520,
&end
#
# 85 GLY HN 84 LYS HA 2.80 (# 366:20 Unique 2.15, 2.34 A)
&rst
ixpk= 366, nxpk= 20, iat=1318,1298, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 16 GLU HB+ 84 LYS HA 4.50 (# 367:20 Unique 2.44, 3.88 A)
&rst
ixpk= 367, nxpk= 20, iat= -1,1298, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 262, 263,
&end
#
# 0 AMB 20-2:368 84 LYS HA 2.80 (# 368:20 Single Ambig)
&rst
ixpk= 368, nxpk= 20, iat= -1,1298, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 265, 266,1300,1301,
&end
#
# 0 AMB 20-2:369 84 LYS HA 3.50 (# 369:20 Single Ambig)
&rst
ixpk= 369, nxpk= 20, iat= -1,1298, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1303,1304,1303,1304,
&end
#
# 0 AMB 20-2:370 84 LYS HA 3.50 (# 370:20 Single Ambig)
&rst
ixpk= 370, nxpk= 20, iat= -1,1298, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1296, 273,
&end
#
# 0 AMB 20-2:371 84 LYS HA 3.50 (# 371:20 Single Ambig)
&rst
ixpk= 371, nxpk= 20, iat= -1,1298, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1306,1307,1306,1307,1300,1301,
&end
#
# 1 ALA HA 42 ASP HA 3.50 (# 372:20 Unique 2.00, 2.61 A)
&rst
ixpk= 372, nxpk= 20, iat= 6, 672, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 43 THR HN 42 ASP HA 2.80 (# 373:20 Unique 2.15, 2.36 A)
&rst
ixpk= 373, nxpk= 20, iat= 682, 672, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 42 ASP HN 42 ASP HA 3.50 (# 374:20 Unique 2.76, 2.85 A)
&rst
ixpk= 374, nxpk= 20, iat= 670, 672, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:375 42 ASP HA 3.50 (# 375:20 Single Ambig)
&rst
ixpk= 375, nxpk= 20, iat= -1, 672, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 674, 675,1063,1064,
&end
#
# 42 ASP HB- 42 ASP HA 3.50 (# 376:20 Unique 2.37, 2.73 A)
&rst
ixpk= 376, nxpk= 20, iat= -1, 672, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 674, 675,
&end
#
# 0 AMB 20-2:378 57 ALA HA 3.50 (# 378:20 Single Ambig)
&rst
ixpk= 378, nxpk= 20, iat= -1, 891, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 889, 955, 899,
&end
#
# 60 ILE HN 57 ALA HA 3.50 (# 379:20 Unique 2.99, 3.24 A)
&rst
ixpk= 379, nxpk= 20, iat= 936, 891, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:380 57 ALA HA 2.80 (# 380:20 Single Ambig)
&rst
ixpk= 380, nxpk= 20, iat= -1, 891, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 940, 946, 947,
&end
#
# 0 AMB 20-2:381 57 ALA HA 5.50 (# 381:20 Single Ambig)
&rst
ixpk= 381, nxpk= 20, iat= -1, 891, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 962, 413,
&end
#
# 57 ALA MB 57 ALA HA 2.80 (# 382:20 Unique 2.25, 2.63 A)
&rst
ixpk= 382, nxpk= 20, iat= -1, 891, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 893, 894, 895,
&end
#
# 0 AMB 20-2:383 57 ALA HA 2.80 (# 383:20 Single Ambig)
&rst
ixpk= 383, nxpk= 20, iat= -1, 891, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 415, 416, 417, 419, 420, 421, 949, 950, 951,
&end
#
# 43 THR MG2 2 GLU HA 3.50 (# 384:20 Unique 3.28, 4.25 A)
&rst
ixpk= 384, nxpk= 20, iat= -1, 16, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 688, 689, 690,
&end
#
# 3 HIS HB+ 3 HIS HA 2.80 (# 385:20 Unique 2.35, 2.69 A)
&rst
ixpk= 385, nxpk= 20, iat= -1, 31, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 33, 34,
&end
#
# 3 HIS HB- 3 HIS HA 3.50 (# 386:20 Unique 2.35, 2.69 A)
&rst
ixpk= 386, nxpk= 20, iat= -1, 31, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 33, 34,
&end
#
# 34 ALA HN 34 ALA HA 3.50 (# 387:20 Unique 2.76, 2.81 A)
&rst
ixpk= 387, nxpk= 20, iat= 558, 560, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 38 PRO HA 34 ALA HA 3.50 (# 388:20 Unique 3.14, 3.45 A)
&rst
ixpk= 388, nxpk= 20, iat= 618, 560, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 34 ALA MB 34 ALA HA 2.80 (# 389:20 Unique 2.22, 2.63 A)
&rst
ixpk= 389, nxpk= 20, iat= -1, 560, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 562, 563, 564,
&end
#
# 33 ILE QG2 34 ALA HA 3.50 (# 390:20 Unique 3.18, 4.15 A)
&rst
ixpk= 390, nxpk= 20, iat= -1, 560, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 545, 546, 547,
&end
#
# 0 AMB 20-2:391 34 ALA HA 4.50 (# 391:20 Single Ambig)
&rst
ixpk= 391, nxpk= 20, iat= -1, 560, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 592, 539,
&end
#
# 35 THR HN 34 ALA HA 3.50 (# 392:20 Unique 3.38, 3.47 A)
&rst
ixpk= 392, nxpk= 20, iat= 568, 560, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:393 2 GLU HA 2.80 (# 393:20 Single Ambig)
&rst
ixpk= 393, nxpk= 20, iat= -1, 16, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 29, 14,
&end
#
# 43 THR HB 2 GLU HA 2.80 (# 394:20 Unique 2.00, 2.05 A)
&rst
ixpk= 394, nxpk= 20, iat= 686, 16, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 20-2:395 2 GLU HA 5.50 (# 395:20 Single Ambig)
&rst
ixpk= 395, nxpk= 20, iat= -1, 16, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 674, 675, 33, 34,
&end
#
# 0 AMB 20-2:396 2 GLU HA 3.50 (# 396:20 Single Ambig)
&rst
ixpk= 396, nxpk= 20, iat= -1, 16, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 21, 22, 21, 22,
&end
#
# 0 AMB 20-2:397 2 GLU HA 2.80 (# 397:20 Single Ambig)
&rst
ixpk= 397, nxpk= 20, iat= -1, 16, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 18, 19, 18, 19,
&end
#
# 69 VAL HN 68 HIS HA 2.80 (# 398:20 Unique 2.15, 2.49 A)
&rst
ixpk= 398, nxpk= 20, iat=1076,1061, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 68 HIS HB+ 68 HIS HA 2.80 (# 399:20 Unique 2.32, 2.78 A)
&rst
ixpk= 399, nxpk= 20, iat= -1,1061, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1063,1064,
&end
#
# 68 HIS HB- 68 HIS HA 3.50 (# 400:20 Unique 2.32, 2.78 A)
&rst
ixpk= 400, nxpk= 20, iat= -1,1061, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1063,1064,
&end
#
# 45 LYS HN 45 LYS HA 3.50 (# 401:20 Unique 2.84, 2.88 A)
&rst
ixpk= 401, nxpk= 20, iat= 712, 714, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:402 0 AMB 20-1:402 2.80 (# 402:20 Double Ambig)
&rst
ixpk= 402, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 734, 29,
igr2= 714, 31,
&end
#
# 70 GLU HB+ 45 LYS HA 3.50 (# 403:20 Unique 2.93, 4.05 A)
&rst
ixpk= 403, nxpk= 20, iat= -1, 714, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1096,1097,
&end
#
# 70 GLU HB- 45 LYS HA 3.50 (# 404:20 Unique 2.93, 4.05 A)
&rst
ixpk= 404, nxpk= 20, iat= -1, 714, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1096,1097,
&end
#
# 72 ALA MB 45 LYS HA 4.50 (# 405:20 Unique 2.80, 4.81 A)
&rst
ixpk= 405, nxpk= 20, iat= -1, 714, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1125,1126,1127,
&end
#
# 0 AMB 20-2:406 0 AMB 20-1:406 3.50 (# 406:20 Double Ambig)
&rst
ixpk= 406, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.80, r4= 7.55,
igr1= 740, 741, 742, 744, 745, 746, 702, 703, 704, 706,
707, 708,1082,1083,1084,1086,1087,1088,1082,1083,
1084,1086,1087,1088, 353, 354, 355,
igr2= 714, 31,
&end
#
# 45 LYS HG+ 45 LYS HA 2.80 (# 407:20 Unique 2.05, 3.00 A)
&rst
ixpk= 407, nxpk= 20, iat= -1, 714, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 719, 720,
&end
#
# 0 AMB 20-2:408 45 LYS HA 2.80 (# 408:20 Single Ambig)
&rst
ixpk= 408, nxpk= 20, iat= -1, 714, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 719, 720, 716, 717,
&end
#
# 68 HIS HN 68 HIS HA 3.50 (# 409:20 Unique 2.80, 2.89 A)
&rst
ixpk= 409, nxpk= 20, iat=1059,1061, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:410 68 HIS HA 4.50 (# 410:20 Single Ambig)
&rst
ixpk= 410, nxpk= 20, iat= -1,1061, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
&end
#
# 17 HIS HN 17 HIS HA 3.50 (# 411:20 Unique 2.81, 2.90 A)
&rst
ixpk= 411, nxpk= 20, iat= 273, 275, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 18 VAL HN 17 HIS HA 3.50 (# 412:20 Unique 2.17, 2.45 A)
&rst
ixpk= 412, nxpk= 20, iat= 290, 275, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 17 HIS HB- 17 HIS HA 3.50 (# 413:20 Unique 2.36, 2.47 A)
&rst
ixpk= 413, nxpk= 20, iat= -1, 275, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 277, 278,
&end
#
# 0 AMB 20-2:414 17 HIS HA 4.50 (# 414:20 Single Ambig)
&rst
ixpk= 414, nxpk= 20, iat= -1, 275, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1154,1155,1156,1158,1159,1160,1265,1266,
&end
#
# 70 GLU HN 70 GLU HA 3.50 (# 415:20 Unique 2.83, 2.91 A)
&rst
ixpk= 415, nxpk= 20, iat=1092,1094, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 71 ASN HN 70 GLU HA 2.80 (# 416:20 Unique 2.16, 2.33 A)
&rst
ixpk= 416, nxpk= 20, iat=1107,1094, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 20-2:417 70 GLU HA 3.50 (# 417:20 Single Ambig)
&rst
ixpk= 417, nxpk= 20, iat= -1,1094, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 912, 913, 912, 913,
&end
#
# 0 AMB 20-2:418 70 GLU HA 2.80 (# 418:20 Single Ambig)
&rst
ixpk= 418, nxpk= 20, iat= -1,1094, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1099,1100,1099,1100,
&end
#
# 70 GLU HB+ 70 GLU HA 2.80 (# 419:20 Unique 2.52, 2.82 A)
&rst
ixpk= 419, nxpk= 20, iat= -1,1094, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1096,1097,
&end
#
# 0 AMB 20-2:420 70 GLU HA 3.50 (# 420:20 Single Ambig)
&rst
ixpk= 420, nxpk= 20, iat= -1,1094, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 909, 910,1096,1097,
&end
#
# 58 LYS HD- 70 GLU HA 4.50 (# 421:20 Unique 2.36, 3.51 A)
&rst
ixpk= 421, nxpk= 20, iat= -1,1094, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 909, 910,
&end
#
# 37 VAL HN 36 ALA HA 3.50 (# 422:20 Unique 3.45, 3.53 A)
&rst
ixpk= 422, nxpk= 20, iat= 592, 584, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 36 ALA HN 36 ALA HA 3.50 (# 423:20 Unique 2.85, 2.88 A)
&rst
ixpk= 423, nxpk= 20, iat= 582, 584, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 36 ALA MB 36 ALA HA 2.80 (# 424:20 Unique 2.22, 2.63 A)
&rst
ixpk= 424, nxpk= 20, iat= -1, 584, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 586, 587, 588,
&end
#
# 0 AMB 20-2:425 36 ALA HA 5.50 (# 425:20 Single Ambig)
&rst
ixpk= 425, nxpk= 20, iat= -1, 584, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 353, 354, 355, 346, 347, 348,
&end
#
# 41 ASN HN 41 ASN HA 3.50 (# 426:20 Unique 2.79, 2.91 A)
&rst
ixpk= 426, nxpk= 20, iat= 656, 658, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 42 ASP HN 41 ASN HA 4.50 (# 427:20 Unique 2.95, 3.39 A)
&rst
ixpk= 427, nxpk= 20, iat= 670, 658, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 41 ASN HB+ 41 ASN HA 2.80 (# 428:20 Unique 2.32, 2.68 A)
&rst
ixpk= 428, nxpk= 20, iat= -1, 658, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 660, 661,
&end
#
# 41 ASN HB- 41 ASN HA 2.80 (# 429:20 Unique 2.32, 2.68 A)
&rst
ixpk= 429, nxpk= 20, iat= -1, 658, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 660, 661,
&end
#
# 67 THR MG2 41 ASN HA 5.50 (# 430:20 Unique 4.26, 6.20 A)
&rst
ixpk= 430, nxpk= 20, iat= -1, 658, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1051,1052,1053,
&end
#
# 41 ASN HN 39 ASP HA 4.50 (# 431:20 Unique 3.43, 4.02 A)
&rst
ixpk= 431, nxpk= 20, iat= 656, 624, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 39 ASP HN 39 ASP HA 3.50 (# 432:20 Unique 2.75, 2.81 A)
&rst
ixpk= 432, nxpk= 20, iat= 622, 624, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 40 LYS HN 39 ASP HA 3.50 (# 433:20 Unique 2.16, 3.04 A)
&rst
ixpk= 433, nxpk= 20, iat= 634, 624, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 39 ASP HB+ 39 ASP HA 3.50 (# 434:20 Unique 2.40, 2.82 A)
&rst
ixpk= 434, nxpk= 20, iat= -1, 624, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 626, 627,
&end
#
# 39 ASP HB- 39 ASP HA 2.80 (# 435:20 Unique 2.40, 2.82 A)
&rst
ixpk= 435, nxpk= 20, iat= -1, 624, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 626, 627,
&end
#
# 0 AMB 20-2:436 39 ASP HA 4.50 (# 436:20 Single Ambig)
&rst
ixpk= 436, nxpk= 20, iat= -1, 624, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 641, 642, 644, 645,
&end
#
# 72 ALA MB 72 ALA HA 2.80 (# 438:20 Unique 2.22, 2.63 A)
&rst
ixpk= 438, nxpk= 20, iat= -1,1123, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1125,1126,1127,
&end
#
# 72 ALA HN 72 ALA HA 3.50 (# 439:20 Unique 2.76, 2.88 A)
&rst
ixpk= 439, nxpk= 20, iat=1121,1123, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 73 GLY HN 72 ALA HA 4.50 (# 440:20 Unique 3.03, 3.50 A)
&rst
ixpk= 440, nxpk= 20, iat=1131,1123, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 21 ALA HN 21 ALA HA 3.50 (# 441:20 Unique 2.28, 2.71 A)
&rst
ixpk= 441, nxpk= 20, iat= 330, 332, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 21 ALA MB 21 ALA HA 2.80 (# 442:20 Unique 2.22, 2.63 A)
&rst
ixpk= 442, nxpk= 20, iat= -1, 332, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 334, 335, 336,
&end
#
# 4 TRP HN 21 ALA HA 4.50 (# 445:20 Unique 3.18, 3.88 A)
&rst
ixpk= 445, nxpk= 20, iat= 46, 332, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 22 ILE HN 21 ALA HA 2.80 (# 446:20 Unique 2.25, 2.52 A)
&rst
ixpk= 446, nxpk= 20, iat= 340, 332, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 4 TRP HB+ 21 ALA HA 2.80 (# 447:20 Unique 2.15, 3.05 A)
&rst
ixpk= 447, nxpk= 20, iat= -1, 332, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 50, 51,
&end
#
# 2 GLU HN 1 ALA HA 3.50 (# 448:20 Unique 2.31, 2.76 A)
&rst
ixpk= 448, nxpk= 20, iat= 14, 6, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 1 ALA MB 1 ALA HA 2.80 (# 450:20 Unique 2.22, 2.63 A)
&rst
ixpk= 450, nxpk= 20, iat= -1, 6, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 8, 9, 10,
&end
#
# 46 VAL HN 71 ASN HA 4.50 (# 451:20 Unique 2.80, 3.45 A)
&rst
ixpk= 451, nxpk= 20, iat= 734,1109, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 80 MET HB- 80 MET HA 3.50 (# 453:20 Unique 2.64, 2.82 A)
&rst
ixpk= 453, nxpk= 20, iat= -1,1229, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1231,1232,
&end
#
# 80 MET HN 80 MET HA 3.50 (# 454:20 Unique 2.86, 2.93 A)
&rst
ixpk= 454, nxpk= 20, iat=1227,1229, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:455 0 AMB 20-1:455 3.50 (# 455:20 Double Ambig)
&rst
ixpk= 455, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1245,1246, 858, 859,
igr2=1229,1109,
&end
#
# 81 PRO HD- 80 MET HA 3.50 (# 456:20 Unique 2.34, 2.43 A)
&rst
ixpk= 456, nxpk= 20, iat= -1,1229, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1245,1246,
&end
#
# 80 MET HG+ 80 MET HA 3.50 (# 457:20 Unique 2.09, 2.74 A)
&rst
ixpk= 457, nxpk= 20, iat= -1,1229, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1234,1235,
&end
#
# 81 PRO HG- 80 MET HA 5.50 (# 458:20 Unique 4.53, 4.57 A)
&rst
ixpk= 458, nxpk= 20, iat= -1,1229, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1248,1249,
&end
#
# 0 AMB 20-2:459 0 AMB 20-1:459 3.50 (# 459:20 Double Ambig)
&rst
ixpk= 459, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1231,1232, 909, 910,
igr2=1229,1109,
&end
#
# 47 TYR HN 6 ASP HA 3.50 (# 460:20 Unique 2.62, 3.21 A)
&rst
ixpk= 460, nxpk= 20, iat= 750, 91, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 7 VAL HN 6 ASP HA 2.80 (# 461:20 Unique 2.21, 2.34 A)
&rst
ixpk= 461, nxpk= 20, iat= 101, 91, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 6 ASP HB- 6 ASP HA 3.50 (# 462:20 Unique 2.44, 2.78 A)
&rst
ixpk= 462, nxpk= 20, iat= -1, 91, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 93, 94,
&end
#
# 0 AMB 20-2:463 6 ASP HA 3.50 (# 463:20 Single Ambig)
&rst
ixpk= 463, nxpk= 20, iat= -1, 91, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 89, 130,
&end
#
# 6 ASP HB+ 6 ASP HA 3.50 (# 464:20 Unique 2.44, 2.78 A)
&rst
ixpk= 464, nxpk= 20, iat= -1, 91, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 93, 94,
&end
#
# 7 VAL MGX 6 ASP HA 4.50 (# 465:20 Unique 3.97, 5.06 A)
&rst
ixpk= 465, nxpk= 20, iat= -1, 91, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 107, 108, 109, 111, 112, 113,
&end
#
# 72 ALA HN 71 ASN HA 2.80 (# 466:20 Unique 2.14, 2.20 A)
&rst
ixpk= 466, nxpk= 20, iat=1121,1109, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 71 ASN HN 71 ASN HA 4.50 (# 467:20 Unique 2.83, 2.93 A)
&rst
ixpk= 467, nxpk= 20, iat=1107,1109, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 23 ASN HN 23 ASN HA 4.50 (# 468:20 Unique 2.27, 2.66 A)
&rst
ixpk= 468, nxpk= 20, iat= 359, 361, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 71 ASN HB+ 71 ASN HA 3.50 (# 469:20 Unique 2.57, 2.82 A)
&rst
ixpk= 469, nxpk= 20, iat= -1,1109, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1111,1112,
&end
#
# 71 ASN HB- 71 ASN HA 3.50 (# 470:20 Unique 2.57, 2.82 A)
&rst
ixpk= 470, nxpk= 20, iat= -1,1109, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1111,1112,
&end
#
# 0 AMB 20-2:471 0 AMB 20-1:471 3.50 (# 471:20 Double Ambig)
&rst
ixpk= 471, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1234,1235, 909, 910,
igr2=1229,1109,
&end
#
# 46 VAL MGX 71 ASN HA 2.80 (# 472:20 Unique 2.09, 4.38 A)
&rst
ixpk= 472, nxpk= 20, iat= -1,1109, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 740, 741, 742, 744, 745, 746,
&end
#
# 6 ASP HB+ 23 ASN HA 3.50 (# 473:20 Unique 2.50, 3.76 A)
&rst
ixpk= 473, nxpk= 20, iat= -1, 361, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 93, 94,
&end
#
# 0 AMB 20-2:474 6 ASP HA 4.50 (# 474:20 Single Ambig)
&rst
ixpk= 474, nxpk= 20, iat= -1, 91, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 107, 108, 109, 111, 112, 113, 383, 384,
&end
#
# 6 ASP HN 23 ASN HA 4.50 (# 475:20 Unique 2.98, 4.18 A)
&rst
ixpk= 475, nxpk= 20, iat= 89, 361, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 24 ILE HN 23 ASN HA 2.80 (# 476:20 Unique 2.18, 2.28 A)
&rst
ixpk= 476, nxpk= 20, iat= 373, 361, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 23 ASN HD2- 23 ASN HA 3.50 (# 477:20 Unique 1.98, 2.91 A)
&rst
ixpk= 477, nxpk= 20, iat= -1, 361, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 368, 369,
&end
#
# 23 ASN HB+ 23 ASN HA 3.50 (# 478:20 Unique 2.34, 2.71 A)
&rst
ixpk= 478, nxpk= 20, iat= -1, 361, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 363, 364,
&end
#
# 23 ASN HB- 23 ASN HA 3.50 (# 479:20 Unique 2.34, 2.71 A)
&rst
ixpk= 479, nxpk= 20, iat= -1, 361, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 363, 364,
&end
#
# 78 ILE QG2 79 ALA HA 5.50 (# 480:20 Unique 3.85, 5.33 A)
&rst
ixpk= 480, nxpk= 20, iat= -1,1219, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1204,1205,1206,
&end
#
# 79 ALA HN 79 ALA HA 4.50 (# 481:20 Unique 2.27, 2.72 A)
&rst
ixpk= 481, nxpk= 20, iat=1217,1219, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 80 MET HN 79 ALA HA 2.80 (# 482:20 Unique 2.27, 2.61 A)
&rst
ixpk= 482, nxpk= 20, iat=1227,1219, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 79 ALA MB 79 ALA HA 2.80 (# 483:20 Unique 2.28, 2.63 A)
&rst
ixpk= 483, nxpk= 20, iat= -1,1219, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1221,1222,1223,
&end
#
# 0 AMB 20-2:484 0 AMB 20-1:484 3.50 (# 484:20 Double Ambig)
&rst
ixpk= 484, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 164, 165, 164, 165,
igr2= 158, 159, 158, 159,
&end
#
# 10 PRO HG- 0 AMB 20-1:485 2.80 (# 485:20 Single Ambig)
&rst
ixpk= 485, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 161, 162,
igr2= 158, 159, 158, 159,
&end
#
# 9 VAL MGX 0 AMB 20-1:486 3.50 (# 486:20 Single Ambig)
&rst
ixpk= 486, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 147, 148, 149, 151, 152, 153,
igr2= 158, 159, 158, 159,
&end
#
# 9 VAL HA 0 AMB 20-1:487 2.80 (# 487:20 Single Ambig)
&rst
ixpk= 487, nxpk= 20, iat= 143, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2= 158, 159, 158, 159,
&end
#
# 0 AMB 20-2:488 0 AMB 20-1:488 2.80 (# 488:20 Double Ambig)
&rst
ixpk= 488, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1= 399, 400, 399, 400, 161, 162, 161, 162,
igr2= 158, 159, 158, 159, 158, 159,
&end
#
# 9 VAL HB 0 AMB 20-1:489 2.80 (# 489:20 Single Ambig)
&rst
ixpk= 489, nxpk= 20, iat= 145, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2= 158, 159, 158, 159,
&end
#
# 9 VAL MGY 0 AMB 20-1:490 3.50 (# 490:20 Single Ambig)
&rst
ixpk= 490, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 147, 148, 149, 151, 152, 153,
igr2= 158, 159, 158, 159,
&end
#
# 81 PRO HB+ 81 PRO HD+ 4.50 (# 491:20 Unique 2.98, 3.70 A)
&rst
ixpk= 491, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1251,1252,
igr2=1245,1246,
&end
#
# 80 MET HA 81 PRO HD+ 3.50 (# 492:20 Unique 2.34, 2.43 A)
&rst
ixpk= 492, nxpk= 20, iat=1229, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1245,1246,
&end
#
# 0 AMB 20-2:493 0 AMB 20-1:493 2.80 (# 493:20 Double Ambig)
&rst
ixpk= 493, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1248,1249,1248,1249,
igr2=1245,1246,1245,1246,
&end
#
# 0 AMB 20-2:494 0 AMB 20-1:494 3.50 (# 494:20 Double Ambig)
&rst
ixpk= 494, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
igr1=1231,1232,1238,1239,1240,
igr2=1245,1246,1245,1246,
&end
#
# 80 MET HB- 81 PRO HD+ 5.50 (# 495:20 Unique 1.99, 3.45 A)
&rst
ixpk= 495, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1231,1232,
igr2=1245,1246,
&end
#
# 80 MET HA 81 PRO HD- 2.80 (# 496:20 Unique 2.34, 2.43 A)
&rst
ixpk= 496, nxpk= 20, iat=1229, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1245,1246,
&end
#
# 81 PRO HB+ 81 PRO HD- 5.50 (# 497:20 Unique 2.98, 3.70 A)
&rst
ixpk= 497, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1251,1252,
igr2=1245,1246,
&end
#
# 81 PRO HG+ 81 PRO HD- 2.80 (# 498:20 Unique 2.30, 2.58 A)
&rst
ixpk= 498, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1248,1249,
igr2=1245,1246,
&end
#
# 80 MET HB- 81 PRO HD- 3.50 (# 499:20 Unique 1.99, 3.45 A)
&rst
ixpk= 499, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1231,1232,
igr2=1245,1246,
&end
#
# 0 AMB 20-2:500 81 PRO HD- 2.80 (# 500:20 Single Ambig)
&rst
ixpk= 500, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.11, r4= 4.86,
igr1=1231,1232,1238,1239,1240,
igr2=1245,1246,
&end
#
# 24 ILE HA 25 PRO HD+ 2.80 (# 501:20 Unique 1.91, 2.24 A)
&rst
ixpk= 501, nxpk= 20, iat= 375, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 393, 394,
&end
#
# 0 AMB 20-2:502 0 AMB 20-1:502 3.50 (# 502:20 Double Ambig)
&rst
ixpk= 502, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 451, 452, 454, 455,
igr2= 393, 394, 393, 394,
&end
#
# 0 AMB 20-2:503 0 AMB 20-1:503 2.80 (# 503:20 Double Ambig)
&rst
ixpk= 503, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 396, 397, 454, 455,
igr2= 393, 394, 393, 394,
&end
#
# 28 GLU HB- 25 PRO HD+ 3.50 (# 504:20 Unique 2.01, 4.03 A)
&rst
ixpk= 504, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 451, 452,
igr2= 393, 394,
&end
#
# 25 PRO HB- 25 PRO HD+ 3.50 (# 505:20 Unique 2.98, 3.70 A)
&rst
ixpk= 505, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 399, 400,
igr2= 393, 394,
&end
#
# 24 ILE QG2 25 PRO HD+ 3.50 (# 506:20 Unique 2.00, 4.34 A)
&rst
ixpk= 506, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 379, 380, 381,
igr2= 393, 394,
&end
#
# 25 PRO HB- 25 PRO HD- 4.50 (# 507:20 Unique 2.98, 3.70 A)
&rst
ixpk= 507, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 399, 400,
igr2= 393, 394,
&end
#
# 24 ILE QG2 25 PRO HD- 3.50 (# 508:20 Unique 2.00, 4.34 A)
&rst
ixpk= 508, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 379, 380, 381,
igr2= 393, 394,
&end
#
# 0 AMB 20-2:509 0 AMB 20-1:509 2.80 (# 509:20 Double Ambig)
&rst
ixpk= 509, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 375, 594,
igr2= 393, 394, 609, 610,
&end
#
# 0 AMB 20-2:510 25 PRO HD- 3.50 (# 510:20 Single Ambig)
&rst
ixpk= 510, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 158, 159, 158, 159,
igr2= 393, 394,
&end
#
# 33 ILE HG1+ 38 PRO HD+ 5.50 (# 511:20 Unique 5.51, 6.98 A)
&rst
ixpk= 511, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 549, 550,
igr2= 609, 610,
&end
#
# 37 VAL HN 38 PRO HD+ 5.50 (# 512:20 Unique 2.75, 3.40 A)
&rst
ixpk= 512, nxpk= 20, iat= 592, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 609, 610,
&end
#
# 39 ASP HN 38 PRO HD+ 3.50 (# 513:20 Unique 2.65, 3.31 A)
&rst
ixpk= 513, nxpk= 20, iat= 622, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 609, 610,
&end
#
# 38 PRO HA 38 PRO HD+ 5.50 (# 514:20 Unique 3.60, 3.85 A)
&rst
ixpk= 514, nxpk= 20, iat= 618, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 609, 610,
&end
#
# 37 VAL HA 38 PRO HD+ 2.80 (# 515:20 Unique 2.05, 2.55 A)
&rst
ixpk= 515, nxpk= 20, iat= 594, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 609, 610,
&end
#
# 38 PRO HB+ 38 PRO HD+ 4.50 (# 516:20 Unique 2.98, 3.70 A)
&rst
ixpk= 516, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 615, 616,
igr2= 609, 610,
&end
#
# 0 AMB 20-2:517 0 AMB 20-1:517 2.80 (# 517:20 Double Ambig)
&rst
ixpk= 517, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 612, 613, 612, 613,
igr2= 609, 610, 609, 610,
&end
#
# 37 VAL HN 38 PRO HD- 4.50 (# 518:20 Unique 2.75, 3.40 A)
&rst
ixpk= 518, nxpk= 20, iat= 592, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 609, 610,
&end
#
# 38 PRO HA 38 PRO HD- 4.50 (# 519:20 Unique 3.60, 3.85 A)
&rst
ixpk= 519, nxpk= 20, iat= 618, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 609, 610,
&end
#
# 0 AMB 20-2:521 0 AMB 20-1:521 3.50 (# 521:20 Double Ambig)
&rst
ixpk= 521, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 615, 616, 164, 165,
igr2= 609, 610, 393, 394,
&end
#
# 0 AMB 20-2:522 0 AMB 20-1:522 2.80 (# 522:20 Double Ambig)
&rst
ixpk= 522, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 612, 613, 612, 613, 454, 455,
igr2= 609, 610, 393, 394,
&end
#
# 71 ASN HD2+ 55 GLY HA+ 4.50 (# 524:20 Unique 1.95, 3.78 A)
&rst
ixpk= 524, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1116,1117,
igr2= 867, 868,
&end
#
# 55 GLY HN 55 GLY HA+ 2.80 (# 525:20 Unique 2.29, 2.55 A)
&rst
ixpk= 525, nxpk= 20, iat= 865, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 867, 868,
&end
#
# 56 GLN HN 55 GLY HA+ 3.50 (# 526:20 Unique 2.65, 3.22 A)
&rst
ixpk= 526, nxpk= 20, iat= 872, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 867, 868,
&end
#
# 58 LYS HB+ 55 GLY HA+ 4.50 (# 527:20 Unique 2.57, 4.21 A)
&rst
ixpk= 527, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 903, 904,
igr2= 867, 868,
&end
#
# 71 ASN HD2+ 55 GLY HA- 3.50 (# 528:20 Unique 1.95, 3.78 A)
&rst
ixpk= 528, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1116,1117,
igr2= 867, 868,
&end
#
# 0 AMB 20-2:529 55 GLY HA- 4.50 (# 529:20 Single Ambig)
&rst
ixpk= 529, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1111,1112, 928, 929,
igr2= 867, 868,
&end
#
# 58 LYS HB+ 55 GLY HA- 3.50 (# 530:20 Unique 2.57, 4.21 A)
&rst
ixpk= 530, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 903, 904,
igr2= 867, 868,
&end
#
# 58 LYS HB- 55 GLY HA- 3.50 (# 531:20 Unique 2.57, 4.21 A)
&rst
ixpk= 531, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 903, 904,
igr2= 867, 868,
&end
#
# 55 GLY HN 55 GLY HA- 3.50 (# 532:20 Unique 2.29, 2.55 A)
&rst
ixpk= 532, nxpk= 20, iat= 865, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 867, 868,
&end
#
# 56 GLN HN 55 GLY HA- 4.50 (# 533:20 Unique 2.65, 3.22 A)
&rst
ixpk= 533, nxpk= 20, iat= 872, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 867, 868,
&end
#
# 71 ASN HD2- 55 GLY HA- 4.50 (# 534:20 Unique 1.95, 3.78 A)
&rst
ixpk= 534, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1116,1117,
igr2= 867, 868,
&end
#
# 85 GLY HN 85 GLY HA+ 3.50 (# 535:20 Unique 2.30, 2.70 A)
&rst
ixpk= 535, nxpk= 20, iat=1318, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1320,1321,
&end
#
# 85 GLY HN 85 GLY HA- 3.50 (# 536:20 Unique 2.30, 2.70 A)
&rst
ixpk= 536, nxpk= 20, iat=1318, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1320,1321,
&end
#
# 0 AMB 20-2:542 0 AMB 20-1:542 4.50 (# 542:20 Double Ambig)
&rst
ixpk= 542, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1116,1117,1116,1117,
igr2=1133,1134, 808, 809,
&end
#
# 74 GLY HN 73 GLY HA+ 2.80 (# 543:20 Unique 2.14, 2.72 A)
&rst
ixpk= 543, nxpk= 20, iat=1138, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1133,1134,
&end
#
# 73 GLY HN 73 GLY HA+ 3.50 (# 544:20 Unique 2.29, 2.68 A)
&rst
ixpk= 544, nxpk= 20, iat=1131, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1133,1134,
&end
#
# 74 GLY HN 73 GLY HA- 3.50 (# 546:20 Unique 2.14, 2.72 A)
&rst
ixpk= 546, nxpk= 20, iat=1138, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1133,1134,
&end
#
# 73 GLY HN 73 GLY HA- 3.50 (# 547:20 Unique 2.29, 2.68 A)
&rst
ixpk= 547, nxpk= 20, iat=1131, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1133,1134,
&end
#
# 51 GLY HA+ 73 GLY HA- 5.50 (# 548:20 Unique 2.75, 4.78 A)
&rst
ixpk= 548, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 808, 809,
igr2=1133,1134,
&end
#
# 47 TYR HA 0 AMB 20-1:550 4.50 (# 550:20 Single Ambig)
&rst
ixpk= 550, nxpk= 20, iat= 752, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2=1133,1134, 808, 809,
&end
#
# 21 ALA HN 20 GLY HA+ 4.50 (# 551:20 Unique 2.14, 2.98 A)
&rst
ixpk= 551, nxpk= 20, iat= 330, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 325, 326,
&end
#
# 21 ALA HN 20 GLY HA+ 4.50 (# 553:20 Unique 2.14, 2.98 A)
&rst
ixpk= 553, nxpk= 20, iat= 330, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 325, 326,
&end
#
# 40 LYS HD- 65 GLY HA+ 3.50 (# 554:20 Unique 2.78, 4.55 A)
&rst
ixpk= 554, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 644, 645,
igr2=1019,1020,
&end
#
# 66 TYR HN 65 GLY HA+ 4.50 (# 555:20 Unique 2.68, 3.24 A)
&rst
ixpk= 555, nxpk= 20, iat=1024, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1019,1020,
&end
#
# 65 GLY HN 65 GLY HA+ 3.50 (# 556:20 Unique 2.53, 2.77 A)
&rst
ixpk= 556, nxpk= 20, iat=1017, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1019,1020,
&end
#
# 20 GLY HN 20 GLY HA- 5.50 (# 558:20 Unique 2.30, 2.68 A)
&rst
ixpk= 558, nxpk= 20, iat= 323, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 325, 326,
&end
#
# 21 ALA HN 20 GLY HA- 4.50 (# 559:20 Unique 2.14, 2.98 A)
&rst
ixpk= 559, nxpk= 20, iat= 330, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 325, 326,
&end
#
# 66 TYR HN 65 GLY HA- 3.50 (# 561:20 Unique 2.68, 3.24 A)
&rst
ixpk= 561, nxpk= 20, iat=1024, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1019,1020,
&end
#
# 65 GLY HN 65 GLY HA- 2.80 (# 562:20 Unique 2.53, 2.77 A)
&rst
ixpk= 562, nxpk= 20, iat=1017, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1019,1020,
&end
#
# 40 LYS HD- 65 GLY HA- 4.50 (# 563:20 Unique 2.78, 4.55 A)
&rst
ixpk= 563, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 644, 645,
igr2=1019,1020,
&end
#
# 74 GLY HN 74 GLY HA+ 3.50 (# 566:20 Unique 2.29, 2.67 A)
&rst
ixpk= 566, nxpk= 20, iat=1138, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1140,1141,
&end
#
# 0 AMB 20-2:568 0 AMB 20-1:568 2.80 (# 568:20 Double Ambig)
&rst
ixpk= 568, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 771,1145,
igr2=1140,1141,1140,1141,
&end
#
# 74 GLY HN 74 GLY HA- 3.50 (# 569:20 Unique 2.29, 2.67 A)
&rst
ixpk= 569, nxpk= 20, iat=1138, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1140,1141,
&end
#
# 0 AMB 20-2:570 74 GLY HA- 3.50 (# 570:20 Single Ambig)
&rst
ixpk= 570, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 771,1145,
igr2=1140,1141,
&end
#
# 8 ARG HB+ 8 ARG HD+ 3.50 (# 572:20 Unique 2.03, 3.27 A)
&rst
ixpk= 572, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 121, 122,
igr2= 127, 128,
&end
#
# 8 ARG HB- 8 ARG HD+ 3.50 (# 573:20 Unique 2.03, 3.27 A)
&rst
ixpk= 573, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 121, 122,
igr2= 127, 128,
&end
#
# 8 ARG HG+ 8 ARG HD+ 3.50 (# 574:20 Unique 2.25, 2.60 A)
&rst
ixpk= 574, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 124, 125,
igr2= 127, 128,
&end
#
# 8 ARG HG- 8 ARG HD+ 3.50 (# 575:20 Unique 2.25, 2.60 A)
&rst
ixpk= 575, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 124, 125,
igr2= 127, 128,
&end
#
# 0 AMB 20-2:577 8 ARG HD- 5.50 (# 577:20 Single Ambig)
&rst
ixpk= 577, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1149,1150, 175, 176, 175, 176,
igr2= 127, 128,
&end
#
# 8 ARG HB+ 8 ARG HD- 3.50 (# 579:20 Unique 2.03, 3.27 A)
&rst
ixpk= 579, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 121, 122,
igr2= 127, 128,
&end
#
# 8 ARG HG+ 8 ARG HD- 3.50 (# 580:20 Unique 2.25, 2.60 A)
&rst
ixpk= 580, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 124, 125,
igr2= 127, 128,
&end
#
# 8 ARG HG- 8 ARG HD- 3.50 (# 581:20 Unique 2.25, 2.60 A)
&rst
ixpk= 581, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 124, 125,
igr2= 127, 128,
&end
#
# 0 AMB 20-2:583 0 AMB 20-1:583 3.50 (# 583:20 Double Ambig)
&rst
ixpk= 583, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 451, 452, 454, 455,
igr2= 525, 526, 525, 526,
&end
#
# 0 AMB 20-2:584 0 AMB 20-1:584 2.80 (# 584:20 Double Ambig)
&rst
ixpk= 584, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 519, 520, 522, 523,
igr2= 525, 526, 525, 526,
&end
#
# 0 AMB 20-2:585 0 AMB 20-1:585 3.50 (# 585:20 Double Ambig)
&rst
ixpk= 585, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 386, 387, 388, 379, 380, 381,
igr2= 525, 526, 525, 526,
&end
#
# 32 ARG HA 32 ARG HD+ 4.50 (# 586:20 Unique 2.50, 3.76 A)
&rst
ixpk= 586, nxpk= 20, iat= 517, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 525, 526,
&end
#
# 32 ARG HG- 32 ARG HD+ 2.80 (# 587:20 Unique 2.22, 2.68 A)
&rst
ixpk= 587, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 522, 523,
igr2= 525, 526,
&end
#
# 32 ARG HA 32 ARG HD- 5.50 (# 589:20 Unique 2.50, 3.76 A)
&rst
ixpk= 589, nxpk= 20, iat= 517, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 525, 526,
&end
#
# 0 AMB 20-2:590 32 ARG HD- 3.50 (# 590:20 Single Ambig)
&rst
ixpk= 590, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 451, 452, 454, 455,
igr2= 525, 526,
&end
#
# 0 AMB 20-2:591 32 ARG HD- 2.80 (# 591:20 Single Ambig)
&rst
ixpk= 591, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 519, 520, 522, 523,
igr2= 525, 526,
&end
#
# 32 ARG HG- 32 ARG HD- 3.50 (# 592:20 Unique 2.22, 2.68 A)
&rst
ixpk= 592, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 522, 523,
igr2= 525, 526,
&end
#
# 0 AMB 20-2:593 32 ARG HD- 3.50 (# 593:20 Single Ambig)
&rst
ixpk= 593, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 386, 387, 388, 379, 380, 381,
igr2= 525, 526,
&end
#
# 6 ASP HN 6 ASP HB+ 3.50 (# 594:20 Unique 2.08, 2.72 A)
&rst
ixpk= 594, nxpk= 20, iat= 89, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 93, 94,
&end
#
# 24 ILE HN 6 ASP HB+ 3.50 (# 595:20 Unique 2.45, 3.90 A)
&rst
ixpk= 595, nxpk= 20, iat= 373, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 93, 94,
&end
#
# 6 ASP HA 6 ASP HB+ 4.50 (# 596:20 Unique 2.44, 2.78 A)
&rst
ixpk= 596, nxpk= 20, iat= 91, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 93, 94,
&end
#
# 23 ASN HA 6 ASP HB+ 3.50 (# 597:20 Unique 2.50, 3.76 A)
&rst
ixpk= 597, nxpk= 20, iat= 361, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 93, 94,
&end
#
# 6 ASP HN 6 ASP HB- 3.50 (# 598:20 Unique 2.08, 2.72 A)
&rst
ixpk= 598, nxpk= 20, iat= 89, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 93, 94,
&end
#
# 6 ASP HA 6 ASP HB- 3.50 (# 600:20 Unique 2.44, 2.78 A)
&rst
ixpk= 600, nxpk= 20, iat= 91, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 93, 94,
&end
#
# 0 AMB 20-2:601 6 ASP HB- 3.50 (# 601:20 Single Ambig)
&rst
ixpk= 601, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
igr1= 124, 125, 334, 335, 336,
igr2= 93, 94,
&end
#
# 78 ILE QD1 47 TYR HB+ 3.50 (# 602:20 Unique 2.05, 3.62 A)
&rst
ixpk= 602, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1211,1212,1213,
igr2= 754, 755,
&end
#
# 48 CYS HN 47 TYR HB+ 3.50 (# 603:20 Unique 2.30, 3.49 A)
&rst
ixpk= 603, nxpk= 20, iat= 771, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 754, 755,
&end
#
# 47 TYR HD 47 TYR HB+ 4.50 (# 604:20 Unique 2.31, 3.05 A)
&rst
ixpk= 604, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 758, 767,
igr2= 754, 755,
&end
#
# 47 TYR HA 47 TYR HB+ 3.50 (# 605:20 Unique 2.36, 2.46 A)
&rst
ixpk= 605, nxpk= 20, iat= 752, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 754, 755,
&end
#
# 0 AMB 20-2:606 0 AMB 20-1:606 3.50 (# 606:20 Double Ambig)
&rst
ixpk= 606, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1125,1126,1127,1152,
igr2= 754, 755, 754, 755,
&end
#
# 0 AMB 20-2:608 0 AMB 20-1:608 4.50 (# 608:20 Double Ambig)
&rst
ixpk= 608, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 839, 815,
igr2= 823, 824, 823, 824, 823, 824,
&end
#
# 0 AMB 20-2:609 0 AMB 20-1:609 3.50 (# 609:20 Double Ambig)
&rst
ixpk= 609, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 817, 818, 817, 818, 817, 818,
igr2= 823, 824, 823, 824, 823, 824,
&end
#
# 0 AMB 20-2:610 0 AMB 20-1:610 2.80 (# 610:20 Double Ambig)
&rst
ixpk= 610, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 820, 821, 820, 821,
igr2= 823, 824, 823, 824,
&end
#
# 48 CYS HN 47 TYR HB- 3.50 (# 611:20 Unique 2.30, 3.49 A)
&rst
ixpk= 611, nxpk= 20, iat= 771, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 754, 755,
&end
#
# 47 TYR HA 47 TYR HB- 3.50 (# 612:20 Unique 2.36, 2.46 A)
&rst
ixpk= 612, nxpk= 20, iat= 752, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 754, 755,
&end
#
# 0 AMB 20-2:613 47 TYR HB- 3.50 (# 613:20 Single Ambig)
&rst
ixpk= 613, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1125,1126,1127,1152,
igr2= 754, 755,
&end
#
# 78 ILE QD1 47 TYR HB- 3.50 (# 614:20 Unique 2.05, 3.62 A)
&rst
ixpk= 614, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1211,1212,1213,
igr2= 754, 755,
&end
#
# 27 LYS HN 26 LEU HB+ 3.50 (# 616:20 Unique 1.93, 3.28 A)
&rst
ixpk= 616, nxpk= 20, iat= 425, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 410, 411,
&end
#
# 26 LEU HN 26 LEU HB+ 3.50 (# 617:20 Unique 2.09, 2.92 A)
&rst
ixpk= 617, nxpk= 20, iat= 406, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 410, 411,
&end
#
# 26 LEU HA 26 LEU HB+ 3.50 (# 618:20 Unique 2.34, 2.78 A)
&rst
ixpk= 618, nxpk= 20, iat= 408, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 410, 411,
&end
#
# 26 LEU HG 26 LEU HB+ 2.80 (# 619:20 Unique 2.38, 2.73 A)
&rst
ixpk= 619, nxpk= 20, iat= 413, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 410, 411,
&end
#
# 26 LEU MDX 26 LEU HB+ 2.80 (# 620:20 Unique 2.05, 3.28 A)
&rst
ixpk= 620, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 415, 416, 417, 419, 420, 421,
igr2= 410, 411,
&end
#
# 26 LEU HN 26 LEU HB- 3.50 (# 621:20 Unique 2.09, 2.92 A)
&rst
ixpk= 621, nxpk= 20, iat= 406, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 410, 411,
&end
#
# 26 LEU HA 26 LEU HB- 3.50 (# 622:20 Unique 2.34, 2.78 A)
&rst
ixpk= 622, nxpk= 20, iat= 408, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 410, 411,
&end
#
# 7 VAL HB 26 LEU HB- 4.50 (# 623:20 Unique 1.98, 3.38 A)
&rst
ixpk= 623, nxpk= 20, iat= 105, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 410, 411,
&end
#
# 26 LEU HG 26 LEU HB- 2.80 (# 624:20 Unique 2.38, 2.73 A)
&rst
ixpk= 624, nxpk= 20, iat= 413, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 410, 411,
&end
#
# 26 LEU MDX 26 LEU HB- 3.50 (# 625:20 Unique 2.05, 3.28 A)
&rst
ixpk= 625, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 415, 416, 417, 419, 420, 421,
igr2= 410, 411,
&end
#
# 26 LEU MDY 26 LEU HB- 3.50 (# 626:20 Unique 2.05, 3.28 A)
&rst
ixpk= 626, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 415, 416, 417, 419, 420, 421,
igr2= 410, 411,
&end
#
# 0 AMB 20-2:627 0 AMB 20-1:627 4.50 (# 627:20 Double Ambig)
&rst
ixpk= 627, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 105, 844, 845,
igr2= 410, 411, 410, 411,
&end
#
# 80 MET HN 82 LYS HE+ 4.50 (# 630:20 Unique 3.06, 4.17 A)
&rst
ixpk= 630, nxpk= 20, iat=1227, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1271,1272,
&end
#
# 75 LEU MDY 82 LYS HE+ 4.50 (# 631:20 Unique 2.00, 4.62 A)
&rst
ixpk= 631, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1154,1155,1156,1158,1159,1160,
igr2=1271,1272,
&end
#
# 18 VAL MGY 82 LYS HE+ 4.50 (# 632:20 Unique 2.69, 5.77 A)
&rst
ixpk= 632, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 296, 297, 298, 300, 301, 302,
igr2=1271,1272,
&end
#
# 0 AMB 20-2:633 0 AMB 20-1:633 3.50 (# 633:20 Double Ambig)
&rst
ixpk= 633, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.24, r4= 6.99,
igr1=1154,1155,1156,1158,1159,1160,1265,1266,
igr2=1271,1272,1271,1272,
&end
#
# 0 AMB 20-2:635 82 LYS HE- 3.50 (# 635:20 Single Ambig)
&rst
ixpk= 635, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1265,1266,1268,1269,
igr2=1271,1272,
&end
#
# 0 AMB 20-2:636 82 LYS HE- 3.50 (# 636:20 Single Ambig)
&rst
ixpk= 636, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1154,1155,1156,1158,1159,1160,1265,1266,
igr2=1271,1272,
&end
#
# 75 LEU MDY 82 LYS HE- 3.50 (# 637:20 Unique 2.00, 4.62 A)
&rst
ixpk= 637, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1154,1155,1156,1158,1159,1160,
igr2=1271,1272,
&end
#
# 18 VAL MGY 82 LYS HE- 3.50 (# 638:20 Unique 2.69, 5.77 A)
&rst
ixpk= 638, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 296, 297, 298, 300, 301, 302,
igr2=1271,1272,
&end
#
# 0 AMB 20-2:642 0 AMB 20-1:642 3.50 (# 642:20 Double Ambig)
&rst
ixpk= 642, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 903, 904, 909, 910,
igr2= 912, 913, 912, 913,
&end
#
# 58 LYS HG+ 58 LYS HE+ 3.50 (# 643:20 Unique 2.05, 3.27 A)
&rst
ixpk= 643, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 906, 907,
igr2= 912, 913,
&end
#
# 58 LYS HG- 58 LYS HE+ 3.50 (# 644:20 Unique 2.05, 3.27 A)
&rst
ixpk= 644, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 906, 907,
igr2= 912, 913,
&end
#
# 0 AMB 20-2:645 0 AMB 20-1:645 3.50 (# 645:20 Double Ambig)
&rst
ixpk= 645, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,
igr1=1174,1175,1174,1175,1174,1175, 909, 910,
igr2=1177,1178,1177,1178,1177,1178, 912, 913,
&end
#
# 0 AMB 20-2:646 0 AMB 20-1:646 2.80 (# 646:20 Double Ambig)
&rst
ixpk= 646, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.03, r4= 6.78,
igr1=1171,1172,1171,1172,1171,1172, 906, 907, 906, 907,
igr2=1177,1178,1177,1178,1177,1178, 912, 913, 912, 913,
&end
#
# 58 LYS HG- 0 AMB 20-1:647 3.50 (# 647:20 Single Ambig)
&rst
ixpk= 647, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 906, 907,
igr2= 912, 913, 912, 913,
&end
#
# 0 AMB 20-2:649 0 AMB 20-1:649 2.80 (# 649:20 Double Ambig)
&rst
ixpk= 649, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1=1152,1303,1304,1303,1304,1303,1304,1268,1269,1202,
igr2=1271,1272,1309,1310,1309,1310,1309,1310,1271,1272,
1271,1272,
&end
#
# 66 TYR HE 0 AMB 20-1:650 4.50 (# 650:20 Single Ambig)
&rst
ixpk= 650, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1034,1039,
igr2= 647, 648, 647, 648,
&end
#
# 34 ALA MB 0 AMB 20-1:652 4.50 (# 652:20 Single Ambig)
&rst
ixpk= 652, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 562, 563, 564,
igr2= 647, 648, 647, 648,
&end
#
# 0 AMB 20-2:653 0 AMB 20-1:653 2.80 (# 653:20 Double Ambig)
&rst
ixpk= 653, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 644, 645, 644, 645,
igr2= 647, 648, 647, 648,
&end
#
# 0 AMB 20-2:654 0 AMB 20-1:654 2.80 (# 654:20 Double Ambig)
&rst
ixpk= 654, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 641, 642, 641, 642, 644, 645,
igr2= 647, 648, 647, 648, 647, 648,
&end
#
# 40 LYS HG- 0 AMB 20-1:655 3.50 (# 655:20 Single Ambig)
&rst
ixpk= 655, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 641, 642,
igr2= 647, 648, 647, 648,
&end
#
# 43 THR MG2 45 LYS HE+ 3.50 (# 657:20 Unique 2.16, 4.28 A)
&rst
ixpk= 657, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 688, 689, 690,
igr2= 725, 726,
&end
#
# 45 LYS HD+ 45 LYS HE+ 3.50 (# 658:20 Unique 2.22, 2.69 A)
&rst
ixpk= 658, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 722, 723,
igr2= 725, 726,
&end
#
# 45 LYS HG+ 45 LYS HE+ 3.50 (# 659:20 Unique 2.01, 3.05 A)
&rst
ixpk= 659, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 719, 720,
igr2= 725, 726,
&end
#
# 0 AMB 20-2:660 0 AMB 20-1:660 3.50 (# 660:20 Double Ambig)
&rst
ixpk= 660, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 719, 720, 716, 717,
igr2= 725, 726, 725, 726,
&end
#
# 43 THR MG2 45 LYS HE- 3.50 (# 661:20 Unique 2.16, 4.28 A)
&rst
ixpk= 661, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 688, 689, 690,
igr2= 725, 726,
&end
#
# 45 LYS HD+ 45 LYS HE- 4.50 (# 662:20 Unique 2.22, 2.69 A)
&rst
ixpk= 662, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 722, 723,
igr2= 725, 726,
&end
#
# 0 AMB 20-2:663 45 LYS HE- 3.50 (# 663:20 Single Ambig)
&rst
ixpk= 663, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 719, 720, 722, 723,
igr2= 725, 726,
&end
#
# 0 AMB 20-2:664 45 LYS HE- 3.50 (# 664:20 Single Ambig)
&rst
ixpk= 664, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 719, 720, 716, 717,
igr2= 725, 726,
&end
#
# 76 LYS HN 75 LEU HB+ 4.50 (# 665:20 Unique 2.25, 3.65 A)
&rst
ixpk= 665, nxpk= 20, iat=1164, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1149,1150,
&end
#
# 75 LEU HN 75 LEU HB+ 3.50 (# 666:20 Unique 2.04, 2.83 A)
&rst
ixpk= 666, nxpk= 20, iat=1145, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1149,1150,
&end
#
# 75 LEU MDY 75 LEU HB+ 4.50 (# 667:20 Unique 2.00, 3.26 A)
&rst
ixpk= 667, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1154,1155,1156,1158,1159,1160,
igr2=1149,1150,
&end
#
# 75 LEU HA 75 LEU HB+ 4.50 (# 668:20 Unique 2.35, 2.76 A)
&rst
ixpk= 668, nxpk= 20, iat=1147, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1149,1150,
&end
#
# 0 AMB 20-2:669 0 AMB 20-1:669 2.80 (# 669:20 Double Ambig)
&rst
ixpk= 669, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1268,1269,1152,
igr2=1149,1150,1149,1150,
&end
#
# 75 LEU MDX 75 LEU HB+ 3.50 (# 670:20 Unique 2.00, 3.26 A)
&rst
ixpk= 670, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1154,1155,1156,1158,1159,1160,
igr2=1149,1150,
&end
#
# 75 LEU HN 75 LEU HB- 3.50 (# 671:20 Unique 2.04, 2.83 A)
&rst
ixpk= 671, nxpk= 20, iat=1145, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1149,1150,
&end
#
# 75 LEU HA 75 LEU HB- 3.50 (# 672:20 Unique 2.35, 2.76 A)
&rst
ixpk= 672, nxpk= 20, iat=1147, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1149,1150,
&end
#
# 75 LEU MDX 75 LEU HB- 3.50 (# 673:20 Unique 2.00, 3.26 A)
&rst
ixpk= 673, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1154,1155,1156,1158,1159,1160,
igr2=1149,1150,
&end
#
# 75 LEU MDY 75 LEU HB- 3.50 (# 674:20 Unique 2.00, 3.26 A)
&rst
ixpk= 674, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1154,1155,1156,1158,1159,1160,
igr2=1149,1150,
&end
#
# 0 AMB 20-2:677 0 AMB 20-1:677 2.80 (# 677:20 Double Ambig)
&rst
ixpk= 677, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.72, r4= 8.47,
igr1= 482, 483,1174,1175,1174,1175,1174,1175, 909, 910,
488, 489, 488, 489, 488, 489, 435, 436, 435, 436,
igr2= 491, 492, 491, 492,1177,1178,1177,1178,1177,1178,
912, 913, 491, 492, 491, 492, 438, 439, 438, 439,
438, 439,
&end
#
# 0 AMB 20-2:678 0 AMB 20-1:678 3.50 (# 678:20 Double Ambig)
&rst
ixpk= 678, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,
igr1= 432, 433, 432, 433, 432, 433, 909, 910,
igr2= 438, 439, 438, 439, 438, 439, 912, 913,
&end
#
# 60 ILE QG2 0 AMB 20-1:679 3.50 (# 679:20 Single Ambig)
&rst
ixpk= 679, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 942, 943, 944,
igr2= 491, 492, 491, 492,
&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= 0.00, r2= 1.80, r3= 6.41, r4= 7.16,
igr1=1300,1301, 488, 489, 488, 489, 488, 489,1306,1307,
1306,1307,
igr2=1309,1310,1309,1310, 491, 492, 491, 492, 491, 492,
1309,1310,
&end
#
# 77 ASP HN 77 ASP HB- 3.50 (# 681:20 Unique 2.07, 3.00 A)
&rst
ixpk= 681, nxpk= 20, iat=1186, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1190,1191,
&end
#
# 61 LEU HG 61 LEU HB+ 3.50 (# 682:20 Unique 2.51, 2.80 A)
&rst
ixpk= 682, nxpk= 20, iat= 962, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 959, 960,
&end
#
# 42 ASP HN 0 AMB 20-1:684 2.80 (# 684:20 Single Ambig)
&rst
ixpk= 684, nxpk= 20, iat= 670, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2= 626, 627, 674, 675,
&end
#
# 39 ASP HN 39 ASP HB+ 2.80 (# 686:20 Unique 2.07, 2.81 A)
&rst
ixpk= 686, nxpk= 20, iat= 622, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 626, 627,
&end
#
# 3 HIS HD2 42 ASP HB- 3.50 (# 688:20 Unique 2.55, 3.15 A)
&rst
ixpk= 688, nxpk= 20, iat= 42, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 674, 675,
&end
#
# 42 ASP HA 42 ASP HB- 3.50 (# 689:20 Unique 2.37, 2.73 A)
&rst
ixpk= 689, nxpk= 20, iat= 672, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 674, 675,
&end
#
# 43 THR HN 42 ASP HB- 3.50 (# 691:20 Unique 1.95, 3.23 A)
&rst
ixpk= 691, nxpk= 20, iat= 682, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 674, 675,
&end
#
# 41 ASN HD2- 42 ASP HB- 5.50 (# 692:20 Unique 4.44, 6.56 A)
&rst
ixpk= 692, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 665, 666,
igr2= 674, 675,
&end
#
# 39 ASP HN 39 ASP HB- 3.50 (# 694:20 Unique 2.07, 2.81 A)
&rst
ixpk= 694, nxpk= 20, iat= 622, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 626, 627,
&end
#
# 39 ASP HA 39 ASP HB- 3.50 (# 695:20 Unique 2.40, 2.82 A)
&rst
ixpk= 695, nxpk= 20, iat= 624, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 626, 627,
&end
#
# 62 SER HN 61 LEU HB+ 3.50 (# 696:20 Unique 2.43, 3.32 A)
&rst
ixpk= 696, nxpk= 20, iat= 974, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 959, 960,
&end
#
# 0 AMB 20-2:697 0 AMB 20-1:697 3.50 (# 697:20 Double Ambig)
&rst
ixpk= 697, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 901, 891,
igr2= 959, 960, 959, 960,
&end
#
# 66 TYR HB- 61 LEU HB+ 4.50 (# 698:20 Unique 2.79, 4.43 A)
&rst
ixpk= 698, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1028,1029,
igr2= 959, 960,
&end
#
# 0 AMB 20-2:699 0 AMB 20-1:699 2.80 (# 699:20 Double Ambig)
&rst
ixpk= 699, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
igr2= 959, 960, 959, 960,
&end
#
# 61 LEU MDY 61 LEU HB+ 3.50 (# 700:20 Unique 2.00, 3.24 A)
&rst
ixpk= 700, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 964, 965, 966, 968, 969, 970,
igr2= 959, 960,
&end
#
# 61 LEU HN 61 LEU HB+ 3.50 (# 701:20 Unique 2.31, 3.03 A)
&rst
ixpk= 701, nxpk= 20, iat= 955, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 959, 960,
&end
#
# 61 LEU HA 61 LEU HB+ 3.50 (# 702:20 Unique 2.42, 2.74 A)
&rst
ixpk= 702, nxpk= 20, iat= 957, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 959, 960,
&end
#
# 61 LEU HN 61 LEU HB- 4.50 (# 703:20 Unique 2.31, 3.03 A)
&rst
ixpk= 703, nxpk= 20, iat= 955, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 959, 960,
&end
#
# 61 LEU HA 61 LEU HB- 3.50 (# 704:20 Unique 2.42, 2.74 A)
&rst
ixpk= 704, nxpk= 20, iat= 957, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 959, 960,
&end
#
# 66 TYR HB+ 61 LEU HB- 4.50 (# 705:20 Unique 2.79, 4.43 A)
&rst
ixpk= 705, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1028,1029,
igr2= 959, 960,
&end
#
# 66 TYR HB- 61 LEU HB- 4.50 (# 706:20 Unique 2.79, 4.43 A)
&rst
ixpk= 706, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1028,1029,
igr2= 959, 960,
&end
#
# 61 LEU HG 61 LEU HB- 3.50 (# 707:20 Unique 2.51, 2.80 A)
&rst
ixpk= 707, nxpk= 20, iat= 962, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 959, 960,
&end
#
# 0 AMB 20-2:708 61 LEU HB- 2.80 (# 708:20 Single Ambig)
&rst
ixpk= 708, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
igr2= 959, 960,
&end
#
# 61 LEU MDY 61 LEU HB- 2.80 (# 709:20 Unique 2.00, 3.24 A)
&rst
ixpk= 709, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 964, 965, 966, 968, 969, 970,
igr2= 959, 960,
&end
#
# 23 ASN HN 22 ILE HB 3.50 (# 710:20 Unique 3.05, 3.41 A)
&rst
ixpk= 710, nxpk= 20, iat= 359, 344, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 22 ILE HA 22 ILE HB 3.50 (# 711:20 Unique 2.99, 3.01 A)
&rst
ixpk= 711, nxpk= 20, iat= 342, 344, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 22 ILE HG1- 22 ILE HB 3.50 (# 712:20 Unique 2.42, 2.51 A)
&rst
ixpk= 712, nxpk= 20, iat= -1, 344, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 350, 351,
&end
#
# 22 ILE HN 22 ILE HB 3.50 (# 713:20 Unique 2.63, 2.74 A)
&rst
ixpk= 713, nxpk= 20, iat= 340, 344, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 22 ILE HG1+ 22 ILE HB 3.50 (# 714:20 Unique 2.42, 2.51 A)
&rst
ixpk= 714, nxpk= 20, iat= -1, 344, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 350, 351,
&end
#
# 49 ASN HA 49 ASN HB- 2.80 (# 718:20 Unique 2.34, 2.76 A)
&rst
ixpk= 718, nxpk= 20, iat= 784, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 786, 787,
&end
#
# 41 ASN HN 41 ASN HB+ 3.50 (# 719:20 Unique 2.18, 2.98 A)
&rst
ixpk= 719, nxpk= 20, iat= 656, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 660, 661,
&end
#
# 41 ASN HD2+ 41 ASN HB+ 3.50 (# 720:20 Unique 2.12, 3.30 A)
&rst
ixpk= 720, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 665, 666,
igr2= 660, 661,
&end
#
# 41 ASN HN 41 ASN HB- 3.50 (# 721:20 Unique 2.18, 2.98 A)
&rst
ixpk= 721, nxpk= 20, iat= 656, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 660, 661,
&end
#
# 41 ASN HA 41 ASN HB- 3.50 (# 722:20 Unique 2.32, 2.68 A)
&rst
ixpk= 722, nxpk= 20, iat= 658, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 660, 661,
&end
#
# 41 ASN HD2+ 41 ASN HB- 3.50 (# 723:20 Unique 2.12, 3.30 A)
&rst
ixpk= 723, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 665, 666,
igr2= 660, 661,
&end
#
# 5 ILE HA 5 ILE HB 3.50 (# 724:20 Unique 3.01, 3.02 A)
&rst
ixpk= 724, nxpk= 20, iat= 72, 74, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 49 ASN HA 49 ASN HB+ 3.50 (# 725:20 Unique 2.34, 2.76 A)
&rst
ixpk= 725, nxpk= 20, iat= 784, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 786, 787,
&end
#
# 60 ILE HN 60 ILE HB 2.80 (# 727:20 Unique 2.50, 2.57 A)
&rst
ixpk= 727, nxpk= 20, iat= 936, 940, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 60 ILE HA 60 ILE HB 3.50 (# 728:20 Unique 3.02, 3.02 A)
&rst
ixpk= 728, nxpk= 20, iat= 938, 940, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:729 0 AMB 20-1:729 2.80 (# 729:20 Double Ambig)
&rst
ixpk= 729, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 740, 741, 742, 744, 745, 746, 949, 950, 951, 942,
943, 944, 702, 703, 704, 706, 707, 708,
igr2= 74, 940,
&end
#
# 0 AMB 20-2:730 0 AMB 20-1:730 2.80 (# 730:20 Double Ambig)
&rst
ixpk= 730, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 80, 81, 80, 81, 946, 947,
igr2= 74, 940,
&end
#
# 5 ILE HN 5 ILE HB 3.50 (# 731:20 Unique 2.54, 2.74 A)
&rst
ixpk= 731, nxpk= 20, iat= 70, 74, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 5 ILE QG2 5 ILE HB 2.80 (# 732:20 Unique 2.22, 2.63 A)
&rst
ixpk= 732, nxpk= 20, iat= -1, 74, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 76, 77, 78,
&end
#
# 78 ILE HN 78 ILE HB 2.80 (# 733:20 Unique 2.52, 2.61 A)
&rst
ixpk= 733, nxpk= 20, iat=1198,1202, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 75 LEU HA 78 ILE HB 4.50 (# 734:20 Unique 2.19, 3.64 A)
&rst
ixpk= 734, nxpk= 20, iat=1147,1202, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 82 LYS HE- 78 ILE HB 4.50 (# 735:20 Unique 2.27, 3.74 A)
&rst
ixpk= 735, nxpk= 20, iat= -1,1202, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1271,1272,
&end
#
# 78 ILE HG1- 78 ILE HB 2.80 (# 736:20 Unique 2.46, 2.77 A)
&rst
ixpk= 736, nxpk= 20, iat= -1,1202, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1208,1209,
&end
#
# 0 AMB 20-2:737 78 ILE HB 3.50 (# 737:20 Single Ambig)
&rst
ixpk= 737, nxpk= 20, iat= -1,1202, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
igr1=1208,1209,1154,1155,1156,1158,1159,1160,1231,1232,
&end
#
# 78 ILE QG2 78 ILE HB 2.80 (# 738:20 Unique 2.22, 2.63 A)
&rst
ixpk= 738, nxpk= 20, iat= -1,1202, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1204,1205,1206,
&end
#
# 78 ILE QD1 78 ILE HB 2.80 (# 739:20 Unique 2.27, 3.09 A)
&rst
ixpk= 739, nxpk= 20, iat= -1,1202, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1211,1212,1213,
&end
#
# 18 VAL MGY 78 ILE HB 5.50 (# 740:20 Unique 3.60, 6.00 A)
&rst
ixpk= 740, nxpk= 20, iat= -1,1202, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 296, 297, 298, 300, 301, 302,
&end
#
# 23 ASN HN 23 ASN HB+ 3.50 (# 741:20 Unique 2.33, 2.95 A)
&rst
ixpk= 741, nxpk= 20, iat= 359, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 363, 364,
&end
#
# 23 ASN HA 23 ASN HB+ 3.50 (# 742:20 Unique 2.34, 2.71 A)
&rst
ixpk= 742, nxpk= 20, iat= 361, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 363, 364,
&end
#
# 0 AMB 20-2:744 5 ILE HB 2.80 (# 744:20 Single Ambig)
&rst
ixpk= 744, nxpk= 20, iat= -1, 74, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 740, 741, 742, 744, 745, 746, 107, 108, 109, 111,
112, 113,
&end
#
# 23 ASN HN 23 ASN HB- 3.50 (# 745:20 Unique 2.33, 2.95 A)
&rst
ixpk= 745, nxpk= 20, iat= 359, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 363, 364,
&end
#
# 23 ASN HA 23 ASN HB- 3.50 (# 746:20 Unique 2.34, 2.71 A)
&rst
ixpk= 746, nxpk= 20, iat= 361, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 363, 364,
&end
#
# 29 VAL MGY 24 ILE HB 3.50 (# 747:20 Unique 1.99, 3.95 A)
&rst
ixpk= 747, nxpk= 20, iat= -1, 377, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 468, 469, 470, 472, 473, 474,
&end
#
# 24 ILE HA 24 ILE HB 3.50 (# 748:20 Unique 2.61, 2.84 A)
&rst
ixpk= 748, nxpk= 20, iat= 375, 377, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:749 24 ILE HB 3.50 (# 749:20 Single Ambig)
&rst
ixpk= 749, nxpk= 20, iat= -1, 377, r1= 0.00, r2= 1.80, r3= 4.84, r4= 5.59,
igr1= 451, 452, 519, 520, 522, 523, 344,
&end
#
# 24 ILE HG1- 24 ILE HB 3.50 (# 750:20 Unique 2.42, 2.74 A)
&rst
ixpk= 750, nxpk= 20, iat= -1, 377, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 383, 384,
&end
#
# 0 AMB 20-2:751 24 ILE HB 3.50 (# 751:20 Single Ambig)
&rst
ixpk= 751, nxpk= 20, iat= -1, 377, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 468, 469, 470, 472, 473, 474, 383, 384,
&end
#
# 0 AMB 20-2:752 24 ILE HB 2.80 (# 752:20 Single Ambig)
&rst
ixpk= 752, nxpk= 20, iat= -1, 377, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 379, 380, 381, 386, 387, 388, 76, 77, 78,
&end
#
# 33 ILE HN 33 ILE HB 2.80 (# 753:20 Unique 2.37, 2.41 A)
&rst
ixpk= 753, nxpk= 20, iat= 539, 543, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 33 ILE HA 33 ILE HB 2.80 (# 754:20 Unique 2.48, 2.50 A)
&rst
ixpk= 754, nxpk= 20, iat= 541, 543, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 33 ILE HG1- 33 ILE HB 3.50 (# 755:20 Unique 2.62, 2.83 A)
&rst
ixpk= 755, nxpk= 20, iat= -1, 543, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 549, 550,
&end
#
# 33 ILE QG2 33 ILE HB 2.80 (# 756:20 Unique 2.25, 2.63 A)
&rst
ixpk= 756, nxpk= 20, iat= -1, 543, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 545, 546, 547,
&end
#
# 0 AMB 20-2:757 33 ILE HB 2.80 (# 757:20 Single Ambig)
&rst
ixpk= 757, nxpk= 20, iat= -1, 543, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 552, 553, 554, 964, 965, 966, 968, 969, 970,
&end
#
# 14 GLN HN 13 TYR HB+ 3.50 (# 758:20 Unique 2.18, 3.41 A)
&rst
ixpk= 758, nxpk= 20, iat= 224, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 207, 208,
&end
#
# 13 TYR HN 13 TYR HB+ 3.50 (# 759:20 Unique 2.23, 2.54 A)
&rst
ixpk= 759, nxpk= 20, iat= 203, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 207, 208,
&end
#
# 10 PRO HA 13 TYR HB+ 3.50 (# 760:20 Unique 2.00, 2.64 A)
&rst
ixpk= 760, nxpk= 20, iat= 167, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 207, 208,
&end
#
# 13 TYR HA 13 TYR HB+ 4.50 (# 761:20 Unique 2.36, 2.72 A)
&rst
ixpk= 761, nxpk= 20, iat= 205, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 207, 208,
&end
#
# 14 GLN HN 13 TYR HB- 4.50 (# 762:20 Unique 2.18, 3.41 A)
&rst
ixpk= 762, nxpk= 20, iat= 224, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 207, 208,
&end
#
# 12 GLN HN 13 TYR HB- 4.50 (# 763:20 Unique 4.36, 4.63 A)
&rst
ixpk= 763, nxpk= 20, iat= 186, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 207, 208,
&end
#
# 10 PRO HA 13 TYR HB- 4.50 (# 764:20 Unique 2.00, 2.64 A)
&rst
ixpk= 764, nxpk= 20, iat= 167, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 207, 208,
&end
#
# 13 TYR HA 13 TYR HB- 3.50 (# 765:20 Unique 2.36, 2.72 A)
&rst
ixpk= 765, nxpk= 20, iat= 205, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 207, 208,
&end
#
# 71 ASN HN 71 ASN HB+ 3.50 (# 766:20 Unique 2.21, 2.85 A)
&rst
ixpk= 766, nxpk= 20, iat=1107, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1111,1112,
&end
#
# 71 ASN HD2+ 71 ASN HB+ 3.50 (# 767:20 Unique 2.52, 3.49 A)
&rst
ixpk= 767, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1116,1117,
igr2=1111,1112,
&end
#
# 71 ASN HA 71 ASN HB+ 3.50 (# 768:20 Unique 2.57, 2.82 A)
&rst
ixpk= 768, nxpk= 20, iat=1109, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1111,1112,
&end
#
# 71 ASN HD2+ 71 ASN HB- 3.50 (# 769:20 Unique 2.52, 3.49 A)
&rst
ixpk= 769, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1116,1117,
igr2=1111,1112,
&end
#
# 71 ASN HA 71 ASN HB- 3.50 (# 770:20 Unique 2.57, 2.82 A)
&rst
ixpk= 770, nxpk= 20, iat=1109, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1111,1112,
&end
#
# 58 LYS HD- 71 ASN HB- 3.50 (# 771:20 Unique 2.00, 4.30 A)
&rst
ixpk= 771, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 909, 910,
igr2=1111,1112,
&end
#
# 71 ASN HN 71 ASN HB- 4.50 (# 772:20 Unique 2.21, 2.85 A)
&rst
ixpk= 772, nxpk= 20, iat=1107, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1111,1112,
&end
#
# 17 HIS HN 16 GLU HG+ 4.50 (# 773:20 Unique 2.01, 3.59 A)
&rst
ixpk= 773, nxpk= 20, iat= 273, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 265, 266,
&end
#
# 16 GLU HA 16 GLU HG+ 3.50 (# 774:20 Unique 2.13, 3.04 A)
&rst
ixpk= 774, nxpk= 20, iat= 260, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 265, 266,
&end
#
# 82 LYS HB+ 16 GLU HG+ 3.50 (# 775:20 Unique 2.00, 3.34 A)
&rst
ixpk= 775, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1262,1263,
igr2= 265, 266,
&end
#
# 0 AMB 20-2:776 0 AMB 20-1:776 3.50 (# 776:20 Double Ambig)
&rst
ixpk= 776, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,
igr1=1262,1263,1303,1304,1303,1304,1268,1269,
igr2= 265, 266, 265, 266, 265, 266, 265, 266,
&end
#
# 0 AMB 20-2:777 0 AMB 20-1:777 4.50 (# 777:20 Double Ambig)
&rst
ixpk= 777, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.02, r4= 8.77,
igr1=1154,1155,1156,1158,1159,1160,1265,1266,
igr2= 265, 266, 265, 266,
&end
#
# 16 GLU HA 16 GLU HG- 3.50 (# 778:20 Unique 2.13, 3.04 A)
&rst
ixpk= 778, nxpk= 20, iat= 260, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 265, 266,
&end
#
# 0 AMB 20-2:779 16 GLU HG- 2.80 (# 779:20 Single Ambig)
&rst
ixpk= 779, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 262, 263, 245, 246,
igr2= 265, 266,
&end
#
# 82 LYS HB+ 16 GLU HG- 3.50 (# 780:20 Unique 2.00, 3.34 A)
&rst
ixpk= 780, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1262,1263,
igr2= 265, 266,
&end
#
# 0 AMB 20-2:781 16 GLU HG- 3.50 (# 781:20 Single Ambig)
&rst
ixpk= 781, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1262,1263,1303,1304,1303,1304,1268,1269,
igr2= 265, 266,
&end
#
# 0 AMB 20-2:782 16 GLU HG- 3.50 (# 782:20 Single Ambig)
&rst
ixpk= 782, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1154,1155,1156,1158,1159,1160,1265,1266,
igr2= 265, 266,
&end
#
# 17 HIS HN 16 GLU HG- 3.50 (# 783:20 Unique 2.01, 3.59 A)
&rst
ixpk= 783, nxpk= 20, iat= 273, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 265, 266,
&end
#
# 11 GLU HN 0 AMB 20-1:784 4.50 (# 784:20 Single Ambig)
&rst
ixpk= 784, nxpk= 20, iat= 171, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 178, 179, 178, 179,
&end
#
# 11 GLU HA 0 AMB 20-1:785 3.50 (# 785:20 Single Ambig)
&rst
ixpk= 785, nxpk= 20, iat= 173, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 178, 179, 178, 179,
&end
#
# 0 AMB 20-2:786 0 AMB 20-1:786 2.80 (# 786:20 Double Ambig)
&rst
ixpk= 786, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 175, 176, 175, 176, 175, 176,
igr2= 178, 179, 178, 179, 178, 179,
&end
#
# 60 ILE HA 63 GLU HG- 4.50 (# 787:20 Unique 2.47, 4.54 A)
&rst
ixpk= 787, nxpk= 20, iat= 938, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 992, 993,
&end
#
# 11 GLU HN 0 AMB 20-1:788 4.50 (# 788:20 Single Ambig)
&rst
ixpk= 788, nxpk= 20, iat= 171, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 178, 179, 178, 179,
&end
#
# 31 GLU HN 0 AMB 20-1:789 3.50 (# 789:20 Single Ambig)
&rst
ixpk= 789, nxpk= 20, iat= 500, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 507, 508, 507, 508,
&end
#
# 31 GLU HN 0 AMB 20-1:790 4.50 (# 790:20 Single Ambig)
&rst
ixpk= 790, nxpk= 20, iat= 500, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 507, 508, 507, 508,
&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= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 504, 505, 504, 505, 504, 505,
igr2= 507, 508, 507, 508, 507, 508,
&end
#
# 31 GLU HA 0 AMB 20-1:792 3.50 (# 792:20 Single Ambig)
&rst
ixpk= 792, nxpk= 20, iat= 502, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 507, 508, 507, 508,
&end
#
# 28 GLU HA 28 GLU HG+ 3.50 (# 793:20 Unique 2.20, 2.83 A)
&rst
ixpk= 793, nxpk= 20, iat= 449, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 454, 455,
&end
#
# 0 AMB 20-2:794 0 AMB 20-1:794 2.80 (# 794:20 Double Ambig)
&rst
ixpk= 794, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 451, 452, 519, 520, 522, 523,
igr2= 454, 455, 454, 455, 454, 455,
&end
#
# 3 HIS HN 0 AMB 20-1:795 3.50 (# 795:20 Single Ambig)
&rst
ixpk= 795, nxpk= 20, iat= 29, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 21, 22, 21, 22,
&end
#
# 2 GLU HA 0 AMB 20-1:796 3.50 (# 796:20 Single Ambig)
&rst
ixpk= 796, nxpk= 20, iat= 16, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 21, 22, 21, 22,
&end
#
# 43 THR MG2 0 AMB 20-1:797 3.50 (# 797:20 Single Ambig)
&rst
ixpk= 797, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 688, 689, 690,
igr2= 21, 22, 21, 22,
&end
#
# 43 THR HB 0 AMB 20-1:798 3.50 (# 798:20 Single Ambig)
&rst
ixpk= 798, nxpk= 20, iat= 686, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 21, 22, 21, 22,
&end
#
# 66 TYR HN 66 TYR HB+ 3.50 (# 799:20 Unique 2.23, 3.00 A)
&rst
ixpk= 799, nxpk= 20, iat=1024, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1028,1029,
&end
#
# 0 AMB 20-2:801 0 AMB 20-1:801 3.50 (# 801:20 Double Ambig)
&rst
ixpk= 801, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 987, 923,
igr2= 992, 993, 928, 929,
&end
#
# 63 GLU HN 63 GLU HG+ 4.50 (# 802:20 Unique 1.95, 3.01 A)
&rst
ixpk= 802, nxpk= 20, iat= 985, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 992, 993,
&end
#
# 0 AMB 20-2:803 0 AMB 20-1:803 2.80 (# 803:20 Double Ambig)
&rst
ixpk= 803, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 987, 923, 173,
igr2= 992, 993, 928, 929, 178, 179, 178, 179,
&end
#
# 63 GLU HN 63 GLU HG- 4.50 (# 804:20 Unique 1.95, 3.01 A)
&rst
ixpk= 804, nxpk= 20, iat= 985, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 992, 993,
&end
#
# 28 GLU HN 28 GLU HG+ 3.50 (# 805:20 Unique 3.18, 3.98 A)
&rst
ixpk= 805, nxpk= 20, iat= 447, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 454, 455,
&end
#
# 0 AMB 20-2:806 0 AMB 20-1:806 4.50 (# 806:20 Double Ambig)
&rst
ixpk= 806, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 432, 433, 432, 433,
igr2= 454, 455, 454, 455,
&end
#
# 32 ARG HB- 28 GLU HG- 4.50 (# 807:20 Unique 2.40, 4.91 A)
&rst
ixpk= 807, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 519, 520,
igr2= 454, 455,
&end
#
# 28 GLU HN 28 GLU HG- 3.50 (# 808:20 Unique 3.18, 3.98 A)
&rst
ixpk= 808, nxpk= 20, iat= 447, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 454, 455,
&end
#
# 28 GLU HA 28 GLU HG- 3.50 (# 809:20 Unique 2.20, 2.83 A)
&rst
ixpk= 809, nxpk= 20, iat= 449, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 454, 455,
&end
#
# 0 AMB 20-2:810 28 GLU HG- 3.50 (# 810:20 Single Ambig)
&rst
ixpk= 810, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 432, 433, 432, 433,
igr2= 454, 455,
&end
#
# 66 TYR HD 66 TYR HB+ 3.50 (# 811:20 Unique 2.30, 3.05 A)
&rst
ixpk= 811, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1032,1041,
igr2=1028,1029,
&end
#
# 0 AMB 20-2:812 0 AMB 20-1:812 3.50 (# 812:20 Double Ambig)
&rst
ixpk= 812, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 976,1026,
igr2=1028,1029,1028,1029,
&end
#
# 0 AMB 20-2:813 0 AMB 20-1:813 5.50 (# 813:20 Double Ambig)
&rst
ixpk= 813, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1080, 700,
igr2=1028,1029,1028,1029,
&end
#
# 61 LEU HB- 66 TYR HB+ 3.50 (# 814:20 Unique 2.79, 4.43 A)
&rst
ixpk= 814, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 959, 960,
igr2=1028,1029,
&end
#
# 0 AMB 20-2:815 0 AMB 20-1:815 2.80 (# 815:20 Double Ambig)
&rst
ixpk= 815, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
igr2=1028,1029,1028,1029,
&end
#
# 53 GLN HA 53 GLN HG+ 3.50 (# 816:20 Unique 2.02, 2.92 A)
&rst
ixpk= 816, nxpk= 20, iat= 839, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 844, 845,
&end
#
# 53 GLN HB- 53 GLN HG+ 3.50 (# 817:20 Unique 2.21, 2.69 A)
&rst
ixpk= 817, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 841, 842,
igr2= 844, 845,
&end
#
# 26 LEU MDX 53 GLN HG+ 5.50 (# 818:20 Unique 2.00, 4.85 A)
&rst
ixpk= 818, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 415, 416, 417, 419, 420, 421,
igr2= 844, 845,
&end
#
# 66 TYR HN 66 TYR HB- 3.50 (# 819:20 Unique 2.23, 3.00 A)
&rst
ixpk= 819, nxpk= 20, iat=1024, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1028,1029,
&end
#
# 66 TYR HD 66 TYR HB- 3.50 (# 820:20 Unique 2.30, 3.05 A)
&rst
ixpk= 820, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1032,1041,
igr2=1028,1029,
&end
#
# 0 AMB 20-2:821 66 TYR HB- 3.50 (# 821:20 Single Ambig)
&rst
ixpk= 821, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 976,1026,
igr2=1028,1029,
&end
#
# 61 LEU HB+ 66 TYR HB- 4.50 (# 822:20 Unique 2.79, 4.43 A)
&rst
ixpk= 822, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 959, 960,
igr2=1028,1029,
&end
#
# 61 LEU HB- 66 TYR HB- 3.50 (# 823:20 Unique 2.79, 4.43 A)
&rst
ixpk= 823, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 959, 960,
igr2=1028,1029,
&end
#
# 0 AMB 20-2:824 66 TYR HB- 3.50 (# 824:20 Single Ambig)
&rst
ixpk= 824, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
igr2=1028,1029,
&end
#
# 59 GLU HN 59 GLU HG+ 3.50 (# 825:20 Unique 2.48, 3.54 A)
&rst
ixpk= 825, nxpk= 20, iat= 921, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 928, 929,
&end
#
# 0 AMB 20-2:826 0 AMB 20-1:826 4.50 (# 826:20 Double Ambig)
&rst
ixpk= 826, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 884, 885,1000,
igr2= 928, 929, 992, 993,
&end
#
# 53 GLN HA 53 GLN HG- 3.50 (# 827:20 Unique 2.02, 2.92 A)
&rst
ixpk= 827, nxpk= 20, iat= 839, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 844, 845,
&end
#
# 0 AMB 20-2:828 0 AMB 20-1:828 3.50 (# 828:20 Double Ambig)
&rst
ixpk= 828, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 415, 416, 417, 419, 420, 421, 147, 148, 149, 151,
152, 153,
igr2= 844, 845, 178, 179, 178, 179,
&end
#
# 0 AMB 20-2:829 0 AMB 20-1:829 4.50 (# 829:20 Double Ambig)
&rst
ixpk= 829, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 884, 885, 141,1000,
igr2= 928, 929, 844, 845, 992, 993,
&end
#
# 0 AMB 20-2:830 0 AMB 20-1:830 3.50 (# 830:20 Double Ambig)
&rst
ixpk= 830, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 186, 921,
igr2= 178, 179, 178, 179, 928, 929,
&end
#
# 0 AMB 20-2:831 0 AMB 20-1:831 4.50 (# 831:20 Double Ambig)
&rst
ixpk= 831, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 33, 34, 674, 675,
igr2= 21, 22, 21, 22, 21, 22,
&end
#
# 83 VAL HN 82 LYS HB+ 3.50 (# 832:20 Unique 2.22, 3.07 A)
&rst
ixpk= 832, nxpk= 20, iat=1280, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1262,1263,
&end
#
# 82 LYS HN 82 LYS HB+ 3.50 (# 833:20 Unique 2.11, 3.07 A)
&rst
ixpk= 833, nxpk= 20, iat=1258, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1262,1263,
&end
#
# 16 GLU HG- 82 LYS HB+ 3.50 (# 835:20 Unique 2.00, 3.34 A)
&rst
ixpk= 835, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 265, 266,
igr2=1262,1263,
&end
#
# 82 LYS HG- 82 LYS HB+ 3.50 (# 836:20 Unique 2.21, 2.69 A)
&rst
ixpk= 836, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1265,1266,
igr2=1262,1263,
&end
#
# 16 GLU HG+ 82 LYS HB+ 4.50 (# 837:20 Unique 2.00, 3.34 A)
&rst
ixpk= 837, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 265, 266,
igr2=1262,1263,
&end
#
# 83 VAL HN 82 LYS HB- 5.50 (# 838:20 Unique 2.22, 3.07 A)
&rst
ixpk= 838, nxpk= 20, iat=1280, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1262,1263,
&end
#
# 16 GLU HG- 82 LYS HB- 4.50 (# 839:20 Unique 2.00, 3.34 A)
&rst
ixpk= 839, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 265, 266,
igr2=1262,1263,
&end
#
# 82 LYS HN 82 LYS HB- 3.50 (# 840:20 Unique 2.11, 3.07 A)
&rst
ixpk= 840, nxpk= 20, iat=1258, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1262,1263,
&end
#
# 82 LYS HG- 82 LYS HB- 3.50 (# 842:20 Unique 2.21, 2.69 A)
&rst
ixpk= 842, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1265,1266,
igr2=1262,1263,
&end
#
# 70 GLU HA 0 AMB 20-1:843 3.50 (# 843:20 Single Ambig)
&rst
ixpk= 843, nxpk= 20, iat=1094, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2=1099,1100,1099,1100,
&end
#
# 0 AMB 20-2:844 0 AMB 20-1:844 2.80 (# 844:20 Double Ambig)
&rst
ixpk= 844, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1096,1097,1096,1097,
igr2=1099,1100,1099,1100,
&end
#
# 70 GLU HB- 0 AMB 20-1:845 2.80 (# 845:20 Single Ambig)
&rst
ixpk= 845, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1096,1097,
igr2=1099,1100,1099,1100,
&end
#
# 43 THR MG2 0 AMB 20-1:846 4.50 (# 846:20 Single Ambig)
&rst
ixpk= 846, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 688, 689, 690,
igr2=1099,1100,1099,1100,
&end
#
# 70 GLU HN 0 AMB 20-1:847 5.50 (# 847:20 Single Ambig)
&rst
ixpk= 847, nxpk= 20, iat=1092, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1099,1100,1099,1100,
&end
#
# 70 GLU HA 0 AMB 20-1:848 3.50 (# 848:20 Single Ambig)
&rst
ixpk= 848, nxpk= 20, iat=1094, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2=1099,1100,1099,1100,
&end
#
# 0 AMB 20-2:849 0 AMB 20-1:849 2.80 (# 849:20 Double Ambig)
&rst
ixpk= 849, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1096,1097,1096,1097,
igr2=1099,1100,1099,1100,
&end
#
# 70 GLU HB- 0 AMB 20-1:850 3.50 (# 850:20 Single Ambig)
&rst
ixpk= 850, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1096,1097,
igr2=1099,1100,1099,1100,
&end
#
# 80 MET HA 80 MET HB+ 3.50 (# 851:20 Unique 2.64, 2.82 A)
&rst
ixpk= 851, nxpk= 20, iat=1229, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1231,1232,
&end
#
# 81 PRO HD+ 80 MET HB+ 4.50 (# 852:20 Unique 1.99, 3.45 A)
&rst
ixpk= 852, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1245,1246,
igr2=1231,1232,
&end
#
# 81 PRO HD- 80 MET HB+ 3.50 (# 853:20 Unique 1.99, 3.45 A)
&rst
ixpk= 853, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1245,1246,
igr2=1231,1232,
&end
#
# 78 ILE QG2 80 MET HB+ 4.50 (# 854:20 Unique 2.00, 3.58 A)
&rst
ixpk= 854, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1204,1205,1206,
igr2=1231,1232,
&end
#
# 0 AMB 20-2:855 0 AMB 20-1:855 4.50 (# 855:20 Double Ambig)
&rst
ixpk= 855, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1= 296, 297, 298, 300, 301, 302, 296, 297, 298, 300,
301, 302,
igr2=1231,1232,1231,1232,
&end
#
# 80 MET HN 80 MET HB- 3.50 (# 856:20 Unique 2.37, 3.14 A)
&rst
ixpk= 856, nxpk= 20, iat=1227, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1231,1232,
&end
#
# 80 MET HA 80 MET HB- 4.50 (# 857:20 Unique 2.64, 2.82 A)
&rst
ixpk= 857, nxpk= 20, iat=1229, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1231,1232,
&end
#
# 81 PRO HD- 80 MET HB- 4.50 (# 858:20 Unique 1.99, 3.45 A)
&rst
ixpk= 858, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1245,1246,
igr2=1231,1232,
&end
#
# 80 MET HG+ 80 MET HB- 3.50 (# 859:20 Unique 2.20, 2.69 A)
&rst
ixpk= 859, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1234,1235,
igr2=1231,1232,
&end
#
# 78 ILE QG2 80 MET HB- 3.50 (# 860:20 Unique 2.00, 3.58 A)
&rst
ixpk= 860, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1204,1205,1206,
igr2=1231,1232,
&end
#
# 0 AMB 20-2:861 80 MET HB- 4.50 (# 861:20 Single Ambig)
&rst
ixpk= 861, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 296, 297, 298, 300, 301, 302, 296, 297, 298, 300,
301, 302,
igr2=1231,1232,
&end
#
# 64 MET HN 64 MET HB+ 3.50 (# 862:20 Unique 2.08, 2.83 A)
&rst
ixpk= 862, nxpk= 20, iat=1000, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1004,1005,
&end
#
# 64 MET HA 64 MET HB+ 3.50 (# 863:20 Unique 2.52, 2.82 A)
&rst
ixpk= 863, nxpk= 20, iat=1002, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1004,1005,
&end
#
# 61 LEU HA 64 MET HB+ 4.50 (# 864:20 Unique 2.02, 3.26 A)
&rst
ixpk= 864, nxpk= 20, iat= 957, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1004,1005,
&end
#
# 64 MET HG+ 64 MET HB+ 3.50 (# 865:20 Unique 2.20, 2.68 A)
&rst
ixpk= 865, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1007,1008,
igr2=1004,1005,
&end
#
# 64 MET ME 64 MET HB+ 3.50 (# 866:20 Unique 2.00, 3.50 A)
&rst
ixpk= 866, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1011,1012,1013,
igr2=1004,1005,
&end
#
# 56 GLN HE2+ 56 GLN HG+ 3.50 (# 867:20 Unique 2.13, 3.32 A)
&rst
ixpk= 867, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 884, 885,
igr2= 879, 880,
&end
#
# 12 GLN HA 12 GLN HG+ 2.80 (# 868:20 Unique 2.15, 2.91 A)
&rst
ixpk= 868, nxpk= 20, iat= 188, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 193, 194,
&end
#
# 0 AMB 20-2:869 0 AMB 20-1:869 2.80 (# 869:20 Double Ambig)
&rst
ixpk= 869, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 190, 191, 190, 191, 876, 877,
igr2= 193, 194, 193, 194, 879, 880,
&end
#
# 64 MET HG+ 64 MET HB- 3.50 (# 870:20 Unique 2.20, 2.68 A)
&rst
ixpk= 870, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1007,1008,
igr2=1004,1005,
&end
#
# 0 AMB 20-2:871 0 AMB 20-1:871 2.80 (# 871:20 Double Ambig)
&rst
ixpk= 871, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1000, 884, 885,
igr2=1004,1005, 879, 880,
&end
#
# 0 AMB 20-2:872 0 AMB 20-1:872 3.50 (# 872:20 Double Ambig)
&rst
ixpk= 872, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.24, r4= 6.99,
igr1= 147, 148, 149, 151, 152, 153, 946, 947,
igr2= 193, 194, 879, 880,
&end
#
# 84 LYS HN 84 LYS HB+ 4.50 (# 873:20 Unique 2.25, 3.12 A)
&rst
ixpk= 873, nxpk= 20, iat=1296, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1300,1301,
&end
#
# 0 AMB 20-2:874 0 AMB 20-1:874 2.80 (# 874:20 Double Ambig)
&rst
ixpk= 874, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1303,1304,1303,1304,
igr2=1300,1301,1300,1301,
&end
#
# 85 GLY HN 84 LYS HB+ 3.50 (# 875:20 Unique 1.95, 3.20 A)
&rst
ixpk= 875, nxpk= 20, iat=1318, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1300,1301,
&end
#
# 84 LYS HA 84 LYS HB+ 3.50 (# 876:20 Unique 2.38, 2.71 A)
&rst
ixpk= 876, nxpk= 20, iat=1298, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1300,1301,
&end
#
# 84 LYS HA 84 LYS HB- 3.50 (# 877:20 Unique 2.38, 2.71 A)
&rst
ixpk= 877, nxpk= 20, iat=1298, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1300,1301,
&end
#
# 0 AMB 20-2:878 84 LYS HB- 2.80 (# 878:20 Single Ambig)
&rst
ixpk= 878, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1303,1304,1303,1304,
igr2=1300,1301,
&end
#
# 84 LYS HN 84 LYS HB- 3.50 (# 879:20 Unique 2.25, 3.12 A)
&rst
ixpk= 879, nxpk= 20, iat=1296, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1300,1301,
&end
#
# 0 AMB 20-2:880 0 AMB 20-1:880 3.50 (# 880:20 Double Ambig)
&rst
ixpk= 880, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.24, r4= 6.99,
igr1= 147, 148, 149, 151, 152, 153, 946, 947,
igr2= 193, 194, 879, 880,
&end
#
# 0 AMB 20-2:881 0 AMB 20-1:881 3.50 (# 881:20 Double Ambig)
&rst
ixpk= 881, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 198, 199, 186,
igr2= 193, 194, 193, 194,
&end
#
# 0 AMB 20-2:882 12 GLN HG- 3.50 (# 882:20 Single Ambig)
&rst
ixpk= 882, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 198, 199, 186,
igr2= 193, 194,
&end
#
# 0 AMB 20-2:883 0 AMB 20-1:883 2.80 (# 883:20 Double Ambig)
&rst
ixpk= 883, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 188, 874,
igr2= 193, 194, 879, 880,
&end
#
# 0 AMB 20-2:884 0 AMB 20-1:884 2.80 (# 884:20 Double Ambig)
&rst
ixpk= 884, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 190, 191, 190, 191, 876, 877,
igr2= 193, 194, 879, 880,
&end
#
# 0 AMB 20-2:885 0 AMB 20-1:885 4.50 (# 885:20 Double Ambig)
&rst
ixpk= 885, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 415, 416, 417, 419, 420, 421, 942, 943, 944,
igr2= 879, 880,1004,1005,
&end
#
# 44 VAL HN 44 VAL HB 3.50 (# 887:20 Unique 2.49, 2.65 A)
&rst
ixpk= 887, nxpk= 20, iat= 696, 700, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 69 VAL HA 44 VAL HB 4.50 (# 888:20 Unique 2.86, 3.41 A)
&rst
ixpk= 888, nxpk= 20, iat=1078, 700, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:889 44 VAL HB 2.80 (# 889:20 Single Ambig)
&rst
ixpk= 889, nxpk= 20, iat= -1, 700, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088, 702, 703, 704, 706, 707, 708,
&end
#
# 44 VAL MGX 44 VAL HB 2.80 (# 890:20 Unique 2.22, 2.63 A)
&rst
ixpk= 890, nxpk= 20, iat= -1, 700, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 702, 703, 704, 706, 707, 708,
&end
#
# 0 AMB 20-2:891 83 VAL HB 3.50 (# 891:20 Single Ambig)
&rst
ixpk= 891, nxpk= 20, iat= -1,1284, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1280, 283,
&end
#
# 0 AMB 20-2:892 83 VAL HB 3.50 (# 892:20 Single Ambig)
&rst
ixpk= 892, nxpk= 20, iat= -1,1284, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1296, 273,
&end
#
# 83 VAL HA 83 VAL HB 3.50 (# 893:20 Unique 2.37, 2.88 A)
&rst
ixpk= 893, nxpk= 20, iat=1282,1284, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 83 VAL MGY 83 VAL HB 3.50 (# 894:20 Unique 2.22, 2.63 A)
&rst
ixpk= 894, nxpk= 20, iat= -1,1284, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1286,1287,1288,1290,1291,1292,
&end
#
# 83 VAL MGX 83 VAL HB 3.50 (# 895:20 Unique 2.22, 2.63 A)
&rst
ixpk= 895, nxpk= 20, iat= -1,1284, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1286,1287,1288,1290,1291,1292,
&end
#
# 15 GLN HA 15 GLN HG- 3.50 (# 896:20 Unique 2.08, 2.92 A)
&rst
ixpk= 896, nxpk= 20, iat= 243, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 248, 249,
&end
#
# 0 AMB 20-2:898 15 GLN HG- 2.80 (# 898:20 Single Ambig)
&rst
ixpk= 898, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 245, 246, 245, 246, 262, 263,
igr2= 248, 249,
&end
#
# 0 AMB 20-2:900 44 VAL HB 5.50 (# 900:20 Single Ambig)
&rst
ixpk= 900, nxpk= 20, iat= -1, 700, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 964, 965, 966, 968, 969, 970, 552, 553, 554,
&end
#
# 0 AMB 20-2:901 46 VAL HB 3.50 (# 901:20 Single Ambig)
&rst
ixpk= 901, nxpk= 20, iat= -1, 738, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 750, 734, 899,
&end
#
# 46 VAL HA 46 VAL HB 3.50 (# 902:20 Unique 2.41, 2.50 A)
&rst
ixpk= 902, nxpk= 20, iat= 736, 738, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:903 0 AMB 20-1:903 5.50 (# 903:20 Double Ambig)
&rst
ixpk= 903, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 901, 891,
igr2= 700, 738,
&end
#
# 57 ALA MB 46 VAL HB 3.50 (# 904:20 Unique 2.75, 4.18 A)
&rst
ixpk= 904, nxpk= 20, iat= -1, 738, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 893, 894, 895,
&end
#
# 0 AMB 20-2:905 46 VAL HB 2.80 (# 905:20 Single Ambig)
&rst
ixpk= 905, nxpk= 20, iat= -1, 738, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 107, 108, 109, 111, 112, 113, 740, 741, 742, 744,
745, 746,
&end
#
# 15 GLN HN 15 GLN HG+ 3.50 (# 906:20 Unique 2.38, 3.75 A)
&rst
ixpk= 906, nxpk= 20, iat= 241, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 248, 249,
&end
#
# 15 GLN HA 15 GLN HG+ 3.50 (# 907:20 Unique 2.08, 2.92 A)
&rst
ixpk= 907, nxpk= 20, iat= 243, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 248, 249,
&end
#
# 0 AMB 20-2:909 0 AMB 20-1:909 2.80 (# 909:20 Double Ambig)
&rst
ixpk= 909, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 245, 246, 245, 246,
igr2= 248, 249, 248, 249,
&end
#
# 13 TYR HB- 0 AMB 20-1:910 4.50 (# 910:20 Single Ambig)
&rst
ixpk= 910, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 207, 208,
igr2= 231, 232, 231, 232,
&end
#
# 15 GLN HN 15 GLN HG- 3.50 (# 911:20 Unique 2.38, 3.75 A)
&rst
ixpk= 911, nxpk= 20, iat= 241, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 248, 249,
&end
#
# 4 TRP HN 3 HIS HB+ 4.50 (# 914:20 Unique 2.45, 3.23 A)
&rst
ixpk= 914, nxpk= 20, iat= 46, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 33, 34,
&end
#
# 3 HIS HN 3 HIS HB+ 4.50 (# 915:20 Unique 2.71, 3.33 A)
&rst
ixpk= 915, nxpk= 20, iat= 29, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 33, 34,
&end
#
# 3 HIS HA 3 HIS HB+ 3.50 (# 916:20 Unique 2.35, 2.69 A)
&rst
ixpk= 916, nxpk= 20, iat= 31, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 33, 34,
&end
#
# 44 VAL HA 3 HIS HB+ 4.50 (# 917:20 Unique 2.78, 4.19 A)
&rst
ixpk= 917, nxpk= 20, iat= 698, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 33, 34,
&end
#
# 0 AMB 20-2:918 0 AMB 20-1:918 4.50 (# 918:20 Double Ambig)
&rst
ixpk= 918, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 50, 51, 50, 51,
igr2= 33, 34, 33, 34,
&end
#
# 0 AMB 20-2:919 0 AMB 20-1:919 4.50 (# 919:20 Double Ambig)
&rst
ixpk= 919, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 353, 354, 355, 702, 703, 704, 706, 707, 708,
igr2= 33, 34, 33, 34,
&end
#
# 5 ILE QD1 3 HIS HB+ 3.50 (# 920:20 Unique 2.55, 4.34 A)
&rst
ixpk= 920, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 83, 84, 85,
igr2= 33, 34,
&end
#
# 37 VAL MGX 3 HIS HB+ 4.50 (# 921:20 Unique 2.91, 5.09 A)
&rst
ixpk= 921, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 598, 599, 600, 602, 603, 604,
igr2= 33, 34,
&end
#
# 5 ILE QD1 3 HIS HB- 4.50 (# 922:20 Unique 2.55, 4.34 A)
&rst
ixpk= 922, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 83, 84, 85,
igr2= 33, 34,
&end
#
# 3 HIS HN 3 HIS HB- 3.50 (# 923:20 Unique 2.71, 3.33 A)
&rst
ixpk= 923, nxpk= 20, iat= 29, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 33, 34,
&end
#
# 3 HIS HA 3 HIS HB- 3.50 (# 924:20 Unique 2.35, 2.69 A)
&rst
ixpk= 924, nxpk= 20, iat= 31, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 33, 34,
&end
#
# 44 VAL HA 3 HIS HB- 4.50 (# 925:20 Unique 2.78, 4.19 A)
&rst
ixpk= 925, nxpk= 20, iat= 698, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 33, 34,
&end
#
# 0 AMB 20-2:926 3 HIS HB- 3.50 (# 926:20 Single Ambig)
&rst
ixpk= 926, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 353, 354, 355, 702, 703, 704, 706, 707, 708,
igr2= 33, 34,
&end
#
# 44 VAL MGX 3 HIS HB- 4.50 (# 927:20 Unique 2.69, 5.97 A)
&rst
ixpk= 927, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 702, 703, 704, 706, 707, 708,
igr2= 33, 34,
&end
#
# 37 VAL MGX 3 HIS HB- 4.50 (# 928:20 Unique 2.91, 5.09 A)
&rst
ixpk= 928, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 598, 599, 600, 602, 603, 604,
igr2= 33, 34,
&end
#
# 0 AMB 20-2:929 0 AMB 20-1:929 2.80 (# 929:20 Double Ambig)
&rst
ixpk= 929, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 228, 229, 228, 229, 228, 229,
igr2= 231, 232, 231, 232, 231, 232,
&end
#
# 14 GLN HN 0 AMB 20-1:930 3.50 (# 930:20 Single Ambig)
&rst
ixpk= 930, nxpk= 20, iat= 224, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 231, 232, 231, 232,
&end
#
# 11 GLU HA 0 AMB 20-1:931 4.50 (# 931:20 Single Ambig)
&rst
ixpk= 931, nxpk= 20, iat= 173, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 231, 232, 231, 232,
&end
#
# 14 GLN HA 0 AMB 20-1:932 3.50 (# 932:20 Single Ambig)
&rst
ixpk= 932, nxpk= 20, iat= 226, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 231, 232, 231, 232,
&end
#
# 19 GLN HA 19 GLN HG+ 3.50 (# 934:20 Unique 2.09, 2.80 A)
&rst
ixpk= 934, nxpk= 20, iat= 308, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 313, 314,
&end
#
# 19 GLN HB+ 19 GLN HG+ 2.80 (# 935:20 Unique 2.21, 2.67 A)
&rst
ixpk= 935, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 310, 311,
igr2= 313, 314,
&end
#
# 83 VAL MGX 19 GLN HG+ 4.50 (# 936:20 Unique 2.00, 5.18 A)
&rst
ixpk= 936, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1286,1287,1288,1290,1291,1292,
igr2= 313, 314,
&end
#
# 19 GLN HB+ 19 GLN HG- 2.80 (# 937:20 Unique 2.21, 2.67 A)
&rst
ixpk= 937, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 310, 311,
igr2= 313, 314,
&end
#
# 19 GLN HB- 19 GLN HG+ 2.80 (# 938:20 Unique 2.21, 2.67 A)
&rst
ixpk= 938, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 310, 311,
igr2= 313, 314,
&end
#
# 58 LYS HG- 69 VAL HB 3.50 (# 939:20 Unique 2.01, 3.56 A)
&rst
ixpk= 939, nxpk= 20, iat= -1,1080, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 906, 907,
&end
#
# 69 VAL HN 69 VAL HB 3.50 (# 940:20 Unique 2.50, 3.20 A)
&rst
ixpk= 940, nxpk= 20, iat=1076,1080, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 69 VAL HA 69 VAL HB 3.50 (# 941:20 Unique 2.45, 2.77 A)
&rst
ixpk= 941, nxpk= 20, iat=1078,1080, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:942 69 VAL HB 2.80 (# 942:20 Single Ambig)
&rst
ixpk= 942, nxpk= 20, iat= -1,1080, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
&end
#
# 70 GLU HN 0 AMB 20-1:943 3.50 (# 943:20 Single Ambig)
&rst
ixpk= 943, nxpk= 20, iat=1092, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1080,1096,1097,
&end
#
# 45 LYS HA 70 GLU HB- 3.50 (# 944:20 Unique 2.93, 4.05 A)
&rst
ixpk= 944, nxpk= 20, iat= 714, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1096,1097,
&end
#
# 70 GLU HN 70 GLU HB- 3.50 (# 945:20 Unique 2.55, 3.01 A)
&rst
ixpk= 945, nxpk= 20, iat=1092, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1096,1097,
&end
#
# 70 GLU HA 70 GLU HB- 3.50 (# 946:20 Unique 2.52, 2.82 A)
&rst
ixpk= 946, nxpk= 20, iat=1094, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1096,1097,
&end
#
# 0 AMB 20-2:947 70 GLU HB- 2.80 (# 947:20 Single Ambig)
&rst
ixpk= 947, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1099,1100,1099,1100,
igr2=1096,1097,
&end
#
# 0 AMB 20-2:949 70 GLU HB- 3.50 (# 949:20 Single Ambig)
&rst
ixpk= 949, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 719, 720, 702, 703, 704, 706, 707, 708,
igr2=1096,1097,
&end
#
# 0 AMB 20-2:950 0 AMB 20-1:950 2.80 (# 950:20 Double Ambig)
&rst
ixpk= 950, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 158, 159, 158, 159,
igr2= 399, 400, 399, 400,
&end
#
# 25 PRO HD+ 25 PRO HB+ 5.50 (# 951:20 Unique 2.98, 3.70 A)
&rst
ixpk= 951, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 393, 394,
igr2= 399, 400,
&end
#
# 0 AMB 20-2:952 0 AMB 20-1:952 4.50 (# 952:20 Double Ambig)
&rst
ixpk= 952, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1227, 61,
igr2=1234,1235,1234,1235,
&end
#
# 80 MET HA 80 MET HG+ 3.50 (# 953:20 Unique 2.09, 2.74 A)
&rst
ixpk= 953, nxpk= 20, iat=1229, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1234,1235,
&end
#
# 78 ILE QG2 80 MET HG+ 4.50 (# 954:20 Unique 2.04, 4.11 A)
&rst
ixpk= 954, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1204,1205,1206,
igr2=1234,1235,
&end
#
# 0 AMB 20-2:955 0 AMB 20-1:955 4.50 (# 955:20 Double Ambig)
&rst
ixpk= 955, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1= 296, 297, 298, 300, 301, 302, 296, 297, 298, 300,
301, 302,
igr2=1234,1235,1234,1235,
&end
#
# 0 AMB 20-2:957 0 AMB 20-1:957 2.80 (# 957:20 Double Ambig)
&rst
ixpk= 957, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 515, 290,
igr2= 519, 520, 294,
&end
#
# 47 TYR HE 18 VAL HB 3.50 (# 958:20 Unique 3.04, 4.16 A)
&rst
ixpk= 958, nxpk= 20, iat= -1, 294, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 760, 765,
&end
#
# 18 VAL HA 18 VAL HB 3.50 (# 959:20 Unique 3.02, 3.02 A)
&rst
ixpk= 959, nxpk= 20, iat= 292, 294, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:960 0 AMB 20-1:960 3.50 (# 960:20 Double Ambig)
&rst
ixpk= 960, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 393, 394, 50, 51,
igr2= 399, 400, 294,
&end
#
# 18 VAL MGY 18 VAL HB 2.80 (# 961:20 Unique 2.22, 2.63 A)
&rst
ixpk= 961, nxpk= 20, iat= -1, 294, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 296, 297, 298, 300, 301, 302,
&end
#
# 0 AMB 20-2:962 0 AMB 20-1:962 3.50 (# 962:20 Double Ambig)
&rst
ixpk= 962, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 539, 447,
igr2= 519, 520, 399, 400,
&end
#
# 80 MET HA 80 MET HG- 5.50 (# 963:20 Unique 2.09, 2.74 A)
&rst
ixpk= 963, nxpk= 20, iat=1229, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1234,1235,
&end
#
# 0 AMB 20-2:964 0 AMB 20-1:964 3.50 (# 964:20 Double Ambig)
&rst
ixpk= 964, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1245,1246, 402,
igr2=1234,1235, 399, 400,
&end
#
# 78 ILE QG2 80 MET HG- 4.50 (# 965:20 Unique 2.04, 4.11 A)
&rst
ixpk= 965, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1204,1205,1206,
igr2=1234,1235,
&end
#
# 80 MET HB- 80 MET HG- 3.50 (# 966:20 Unique 2.20, 2.69 A)
&rst
ixpk= 966, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1231,1232,
igr2=1234,1235,
&end
#
# 9 VAL HA 25 PRO HB+ 3.50 (# 967:20 Unique 2.44, 2.90 A)
&rst
ixpk= 967, nxpk= 20, iat= 143, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 399, 400,
&end
#
# 25 PRO HG- 25 PRO HB+ 2.80 (# 968:20 Unique 2.32, 2.58 A)
&rst
ixpk= 968, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 396, 397,
igr2= 399, 400,
&end
#
# 80 MET HB- 80 MET HG+ 2.80 (# 969:20 Unique 2.20, 2.69 A)
&rst
ixpk= 969, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1231,1232,
igr2=1234,1235,
&end
#
# 32 ARG HN 32 ARG HB+ 3.50 (# 970:20 Unique 2.09, 2.73 A)
&rst
ixpk= 970, nxpk= 20, iat= 515, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 519, 520,
&end
#
# 32 ARG HA 32 ARG HB+ 3.50 (# 972:20 Unique 2.52, 2.80 A)
&rst
ixpk= 972, nxpk= 20, iat= 517, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 519, 520,
&end
#
# 0 AMB 20-2:973 0 AMB 20-1:973 3.50 (# 973:20 Double Ambig)
&rst
ixpk= 973, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 525, 526, 525, 526,
igr2= 519, 520, 519, 520,
&end
#
# 0 AMB 20-2:974 0 AMB 20-1:974 3.50 (# 974:20 Double Ambig)
&rst
ixpk= 974, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 379, 380, 381, 386, 387, 388,
igr2= 519, 520, 519, 520,
&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= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 29, 14,
igr2= 18, 19, 18, 19, 18, 19,
&end
#
# 2 GLU HA 0 AMB 20-1:976 3.50 (# 976:20 Single Ambig)
&rst
ixpk= 976, nxpk= 20, iat= 16, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 18, 19, 18, 19,
&end
#
# 43 THR MG2 0 AMB 20-1:978 4.50 (# 978:20 Single Ambig)
&rst
ixpk= 978, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 688, 689, 690,
igr2= 18, 19, 18, 19,
&end
#
# 32 ARG HA 32 ARG HB- 3.50 (# 979:20 Unique 2.52, 2.80 A)
&rst
ixpk= 979, nxpk= 20, iat= 517, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 519, 520,
&end
#
# 32 ARG HD- 32 ARG HB- 3.50 (# 980:20 Unique 1.99, 3.08 A)
&rst
ixpk= 980, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 525, 526,
igr2= 519, 520,
&end
#
# 0 AMB 20-2:982 32 ARG HB- 3.50 (# 982:20 Single Ambig)
&rst
ixpk= 982, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 379, 380, 381, 386, 387, 388,
igr2= 519, 520,
&end
#
# 33 ILE HN 32 ARG HB- 4.50 (# 983:20 Unique 2.11, 3.07 A)
&rst
ixpk= 983, nxpk= 20, iat= 539, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 519, 520,
&end
#
# 0 AMB 20-2:984 0 AMB 20-1:984 4.50 (# 984:20 Double Ambig)
&rst
ixpk= 984, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 539, 447,
igr2= 519, 520, 399, 400,
&end
#
# 25 PRO HD+ 25 PRO HB- 4.50 (# 985:20 Unique 2.98, 3.70 A)
&rst
ixpk= 985, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 393, 394,
igr2= 399, 400,
&end
#
# 64 MET HN 64 MET HG+ 3.50 (# 986:20 Unique 2.40, 3.44 A)
&rst
ixpk= 986, nxpk= 20, iat=1000, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1007,1008,
&end
#
# 64 MET HA 64 MET HG+ 3.50 (# 987:20 Unique 2.03, 2.76 A)
&rst
ixpk= 987, nxpk= 20, iat=1002, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1007,1008,
&end
#
# 61 LEU HA 64 MET HG+ 5.50 (# 988:20 Unique 2.00, 3.70 A)
&rst
ixpk= 988, nxpk= 20, iat= 957, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1007,1008,
&end
#
# 64 MET HB- 64 MET HG+ 3.50 (# 989:20 Unique 2.20, 2.68 A)
&rst
ixpk= 989, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1004,1005,
igr2=1007,1008,
&end
#
# 64 MET ME 64 MET HG+ 3.50 (# 990:20 Unique 2.11, 3.66 A)
&rst
ixpk= 990, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1011,1012,1013,
igr2=1007,1008,
&end
#
# 60 ILE QG2 64 MET HG+ 4.50 (# 991:20 Unique 2.52, 4.99 A)
&rst
ixpk= 991, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 942, 943, 944,
igr2=1007,1008,
&end
#
# 64 MET HN 64 MET HG- 4.50 (# 992:20 Unique 2.40, 3.44 A)
&rst
ixpk= 992, nxpk= 20, iat=1000, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1007,1008,
&end
#
# 64 MET HA 64 MET HG- 3.50 (# 993:20 Unique 2.03, 2.76 A)
&rst
ixpk= 993, nxpk= 20, iat=1002, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1007,1008,
&end
#
# 64 MET HB- 64 MET HG- 2.80 (# 994:20 Unique 2.20, 2.68 A)
&rst
ixpk= 994, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1004,1005,
igr2=1007,1008,
&end
#
# 64 MET ME 64 MET HG- 3.50 (# 995:20 Unique 2.11, 3.66 A)
&rst
ixpk= 995, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1011,1012,1013,
igr2=1007,1008,
&end
#
# 13 TYR HB+ 10 PRO HB+ 4.50 (# 996:20 Unique 3.82, 4.76 A)
&rst
ixpk= 996, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 207, 208,
igr2= 164, 165,
&end
#
# 13 TYR HB- 10 PRO HB+ 4.50 (# 997:20 Unique 3.82, 4.76 A)
&rst
ixpk= 997, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 207, 208,
igr2= 164, 165,
&end
#
# 11 GLU HN 10 PRO HB+ 5.50 (# 998:20 Unique 3.09, 3.85 A)
&rst
ixpk= 998, nxpk= 20, iat= 171, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 164, 165,
&end
#
# 10 PRO HA 10 PRO HB+ 2.80 (# 999:20 Unique 2.30, 2.51 A)
&rst
ixpk= 999, nxpk= 20, iat= 167, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 164, 165,
&end
#
# 0 AMB 20-2:1000 0 AMB 20-1:1000 3.50 (# 1000:20 Double Ambig)
&rst
ixpk= 1000, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 158, 159, 158, 159,
igr2= 164, 165, 164, 165,
&end
#
# 10 PRO HG+ 10 PRO HB+ 3.50 (# 1001:20 Unique 2.32, 2.58 A)
&rst
ixpk= 1001, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 161, 162,
igr2= 164, 165,
&end
#
# 0 AMB 20-2:1002 0 AMB 20-1:1002 3.50 (# 1002:20 Double Ambig)
&rst
ixpk= 1002, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 164, 165, 93, 94,
igr2= 399, 400, 399, 400,
&end
#
# 11 GLU HN 10 PRO HB- 3.50 (# 1003:20 Unique 3.09, 3.85 A)
&rst
ixpk= 1003, nxpk= 20, iat= 171, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 164, 165,
&end
#
# 0 AMB 20-2:1004 0 AMB 20-1:1004 2.80 (# 1004:20 Double Ambig)
&rst
ixpk= 1004, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 618, 167,
igr2= 615, 616, 164, 165,
&end
#
# 0 AMB 20-2:1005 10 PRO HB- 3.50 (# 1005:20 Single Ambig)
&rst
ixpk= 1005, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 158, 159, 158, 159,
igr2= 164, 165,
&end
#
# 0 AMB 20-2:1006 0 AMB 20-1:1006 3.50 (# 1006:20 Double Ambig)
&rst
ixpk= 1006, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 609, 610, 393, 394,
igr2= 615, 616, 164, 165, 429, 430,
&end
#
# 0 AMB 20-2:1007 0 AMB 20-1:1007 2.80 (# 1007:20 Double Ambig)
&rst
ixpk= 1007, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 161, 162, 399, 400, 454, 455,
igr2= 164, 165, 429, 430, 429, 430,
&end
#
# 27 LYS HN 27 LYS HB+ 3.50 (# 1008:20 Unique 2.21, 2.83 A)
&rst
ixpk= 1008, nxpk= 20, iat= 425, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 429, 430,
&end
#
# 0 AMB 20-2:1009 0 AMB 20-1:1009 2.80 (# 1009:20 Double Ambig)
&rst
ixpk= 1009, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
igr1= 427, 594, 570,
igr2= 429, 430, 596, 615, 616,
&end
#
# 0 AMB 20-2:1010 0 AMB 20-1:1010 2.80 (# 1010:20 Double Ambig)
&rst
ixpk= 1010, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.37, r4= 6.12,
igr1= 432, 433, 432, 433, 598, 599, 600, 602, 603, 604,
igr2= 429, 430, 429, 430, 596,
&end
#
# 33 ILE HG1- 37 VAL HB 3.50 (# 1011:20 Unique 2.06, 3.05 A)
&rst
ixpk= 1011, nxpk= 20, iat= -1, 596, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 549, 550,
&end
#
# 27 LYS HN 27 LYS HB- 3.50 (# 1012:20 Unique 2.21, 2.83 A)
&rst
ixpk= 1012, nxpk= 20, iat= 425, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 429, 430,
&end
#
# 27 LYS HA 27 LYS HB- 2.80 (# 1013:20 Unique 2.37, 2.62 A)
&rst
ixpk= 1013, nxpk= 20, iat= 427, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 429, 430,
&end
#
# 18 VAL HN 17 HIS HB+ 3.50 (# 1014:20 Unique 1.95, 3.10 A)
&rst
ixpk= 1014, nxpk= 20, iat= 290, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 277, 278,
&end
#
# 17 HIS HA 17 HIS HB+ 2.80 (# 1015:20 Unique 2.36, 2.47 A)
&rst
ixpk= 1015, nxpk= 20, iat= 275, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 277, 278,
&end
#
# 38 PRO HA 38 PRO HB+ 2.80 (# 1016:20 Unique 2.30, 2.51 A)
&rst
ixpk= 1016, nxpk= 20, iat= 618, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 615, 616,
&end
#
# 38 PRO HD+ 38 PRO HB+ 5.50 (# 1017:20 Unique 2.98, 3.70 A)
&rst
ixpk= 1017, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 609, 610,
igr2= 615, 616,
&end
#
# 38 PRO HD- 38 PRO HB+ 3.50 (# 1018:20 Unique 2.98, 3.70 A)
&rst
ixpk= 1018, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 609, 610,
igr2= 615, 616,
&end
#
# 8 ARG HN 8 ARG HB- 3.50 (# 1019:20 Unique 2.06, 2.79 A)
&rst
ixpk= 1019, nxpk= 20, iat= 117, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 121, 122,
&end
#
# 8 ARG HA 8 ARG HB- 4.50 (# 1020:20 Unique 2.36, 2.70 A)
&rst
ixpk= 1020, nxpk= 20, iat= 119, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 121, 122,
&end
#
# 38 PRO HD+ 38 PRO HB- 3.50 (# 1021:20 Unique 2.98, 3.70 A)
&rst
ixpk= 1021, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 609, 610,
igr2= 615, 616,
&end
#
# 0 AMB 20-2:1022 0 AMB 20-1:1022 3.50 (# 1022:20 Double Ambig)
&rst
ixpk= 1022, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 539, 592,
igr2= 519, 520, 596,
&end
#
# 66 TYR HE 37 VAL HB 3.50 (# 1023:20 Unique 2.00, 4.14 A)
&rst
ixpk= 1023, nxpk= 20, iat= -1, 596, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1034,1039,
&end
#
# 33 ILE HG1+ 37 VAL HB 2.80 (# 1025:20 Unique 2.06, 3.05 A)
&rst
ixpk= 1025, nxpk= 20, iat= -1, 596, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 549, 550,
&end
#
# 37 VAL MGX 37 VAL HB 2.80 (# 1026:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1026, nxpk= 20, iat= -1, 596, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 598, 599, 600, 602, 603, 604,
&end
#
# 0 AMB 20-2:1027 0 AMB 20-1:1027 2.80 (# 1027:20 Double Ambig)
&rst
ixpk= 1027, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 478, 447,
igr2= 482, 483, 429, 430,
&end
#
# 31 GLU HN 30 LYS HB+ 3.50 (# 1028:20 Unique 2.31, 3.04 A)
&rst
ixpk= 1028, nxpk= 20, iat= 500, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 482, 483,
&end
#
# 30 LYS HA 30 LYS HB+ 3.50 (# 1029:20 Unique 2.58, 2.84 A)
&rst
ixpk= 1029, nxpk= 20, iat= 480, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 482, 483,
&end
#
# 0 AMB 20-2:1030 27 LYS HB- 2.80 (# 1030:20 Single Ambig)
&rst
ixpk= 1030, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 432, 433, 432, 433,
igr2= 429, 430,
&end
#
# 30 LYS HN 30 LYS HB- 3.50 (# 1031:20 Unique 2.08, 2.63 A)
&rst
ixpk= 1031, nxpk= 20, iat= 478, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 482, 483,
&end
#
# 31 GLU HN 30 LYS HB- 4.50 (# 1032:20 Unique 2.31, 3.04 A)
&rst
ixpk= 1032, nxpk= 20, iat= 500, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 482, 483,
&end
#
# 30 LYS HA 30 LYS HB- 3.50 (# 1033:20 Unique 2.58, 2.84 A)
&rst
ixpk= 1033, nxpk= 20, iat= 480, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 482, 483,
&end
#
# 30 LYS HG- 30 LYS HB- 3.50 (# 1034:20 Unique 2.21, 2.68 A)
&rst
ixpk= 1034, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 485, 486,
igr2= 482, 483,
&end
#
# 0 AMB 20-2:1035 30 LYS HB- 4.50 (# 1035:20 Single Ambig)
&rst
ixpk= 1035, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 415, 416, 417, 419, 420, 421, 468, 469, 470, 472,
473, 474, 942, 943, 944,
igr2= 482, 483,
&end
#
# 40 LYS HG- 40 LYS HB+ 3.50 (# 1036:20 Unique 2.21, 2.69 A)
&rst
ixpk= 1036, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 641, 642,
igr2= 638, 639,
&end
#
# 45 LYS HN 45 LYS HB+ 3.50 (# 1037:20 Unique 2.10, 2.96 A)
&rst
ixpk= 1037, nxpk= 20, iat= 712, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 716, 717,
&end
#
# 4 TRP HA 45 LYS HB+ 5.50 (# 1038:20 Unique 1.97, 2.78 A)
&rst
ixpk= 1038, nxpk= 20, iat= 48, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 716, 717,
&end
#
# 45 LYS HD+ 45 LYS HB+ 3.50 (# 1039:20 Unique 2.00, 3.00 A)
&rst
ixpk= 1039, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 722, 723,
igr2= 716, 717,
&end
#
# 45 LYS HA 45 LYS HB+ 3.50 (# 1040:20 Unique 2.37, 2.76 A)
&rst
ixpk= 1040, nxpk= 20, iat= 714, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 716, 717,
&end
#
# 72 ALA MB 45 LYS HB+ 4.50 (# 1041:20 Unique 2.00, 4.75 A)
&rst
ixpk= 1041, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1125,1126,1127,
igr2= 716, 717,
&end
#
# 45 LYS HG+ 45 LYS HB+ 2.80 (# 1042:20 Unique 2.21, 2.69 A)
&rst
ixpk= 1042, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 719, 720,
igr2= 716, 717,
&end
#
# 45 LYS HN 45 LYS HB- 5.50 (# 1043:20 Unique 2.10, 2.96 A)
&rst
ixpk= 1043, nxpk= 20, iat= 712, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 716, 717,
&end
#
# 45 LYS HA 45 LYS HB- 3.50 (# 1044:20 Unique 2.37, 2.76 A)
&rst
ixpk= 1044, nxpk= 20, iat= 714, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 716, 717,
&end
#
# 72 ALA MB 45 LYS HB- 4.50 (# 1045:20 Unique 2.00, 4.75 A)
&rst
ixpk= 1045, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1125,1126,1127,
igr2= 716, 717,
&end
#
# 45 LYS HD+ 45 LYS HB- 3.50 (# 1046:20 Unique 2.00, 3.00 A)
&rst
ixpk= 1046, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 722, 723,
igr2= 716, 717,
&end
#
# 45 LYS HG+ 45 LYS HB- 2.80 (# 1047:20 Unique 2.21, 2.69 A)
&rst
ixpk= 1047, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 719, 720,
igr2= 716, 717,
&end
#
# 17 HIS HA 17 HIS HB- 3.50 (# 1048:20 Unique 2.36, 2.47 A)
&rst
ixpk= 1048, nxpk= 20, iat= 275, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 277, 278,
&end
#
# 18 VAL HN 17 HIS HB- 3.50 (# 1049:20 Unique 1.95, 3.10 A)
&rst
ixpk= 1049, nxpk= 20, iat= 290, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 277, 278,
&end
#
# 0 AMB 20-2:1050 0 AMB 20-1:1050 4.50 (# 1050:20 Double Ambig)
&rst
ixpk= 1050, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 771,1258,
igr2= 121, 122, 262, 263,
&end
#
# 8 ARG HA 8 ARG HB+ 3.50 (# 1051:20 Unique 2.36, 2.70 A)
&rst
ixpk= 1051, nxpk= 20, iat= 119, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 121, 122,
&end
#
# 0 AMB 20-2:1052 0 AMB 20-1:1052 4.50 (# 1052:20 Double Ambig)
&rst
ixpk= 1052, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 143,1282,
igr2= 121, 122, 262, 263,
&end
#
# 8 ARG HD+ 8 ARG HB+ 3.50 (# 1053:20 Unique 2.03, 3.27 A)
&rst
ixpk= 1053, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 127, 128,
igr2= 121, 122,
&end
#
# 9 VAL HN 8 ARG HB+ 4.50 (# 1054:20 Unique 2.43, 3.56 A)
&rst
ixpk= 1054, nxpk= 20, iat= 141, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 121, 122,
&end
#
# 0 AMB 20-2:1055 0 AMB 20-1:1055 4.50 (# 1055:20 Double Ambig)
&rst
ixpk= 1055, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 91, 858, 859, 402, 856,
igr2= 121, 122, 121, 122, 121, 122, 121, 122,
&end
#
# 71 ASN HD2+ 58 LYS HB+ 4.50 (# 1056:20 Unique 2.31, 3.96 A)
&rst
ixpk= 1056, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1116,1117,
igr2= 903, 904,
&end
#
# 0 AMB 20-2:1057 0 AMB 20-1:1057 3.50 (# 1057:20 Double Ambig)
&rst
ixpk= 1057, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 740, 741, 742, 744, 745, 746,1082,1083,1084,1086,
1087,1088,1082,1083,1084,1086,1087,1088,
igr2= 903, 904, 903, 904, 903, 904,
&end
#
# 58 LYS HN 58 LYS HB+ 3.50 (# 1058:20 Unique 2.07, 2.54 A)
&rst
ixpk= 1058, nxpk= 20, iat= 899, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 903, 904,
&end
#
# 59 GLU HN 58 LYS HB+ 3.50 (# 1059:20 Unique 1.95, 3.38 A)
&rst
ixpk= 1059, nxpk= 20, iat= 921, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 903, 904,
&end
#
# 58 LYS HA 58 LYS HB+ 3.50 (# 1060:20 Unique 2.39, 2.77 A)
&rst
ixpk= 1060, nxpk= 20, iat= 901, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 903, 904,
&end
#
# 58 LYS HG+ 58 LYS HB+ 3.50 (# 1061:20 Unique 2.21, 2.67 A)
&rst
ixpk= 1061, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 906, 907,
igr2= 903, 904,
&end
#
# 76 LYS HA 76 LYS HB+ 2.80 (# 1062:20 Unique 2.39, 2.78 A)
&rst
ixpk= 1062, nxpk= 20, iat=1166, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1168,1169,
&end
#
# 0 AMB 20-2:1063 0 AMB 20-1:1063 2.80 (# 1063:20 Double Ambig)
&rst
ixpk= 1063, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1171,1172,1171,1172,
igr2=1168,1169,1168,1169,
&end
#
# 0 AMB 20-2:1064 0 AMB 20-1:1064 3.50 (# 1064:20 Double Ambig)
&rst
ixpk= 1064, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1154,1155,1156,1158,1159,1160, 415, 416, 417, 419,
420, 421, 468, 469, 470, 472, 473, 474,
igr2= 262, 263, 482, 483, 482, 483,
&end
#
# 76 LYS HA 76 LYS HB- 2.80 (# 1065:20 Unique 2.39, 2.78 A)
&rst
ixpk= 1065, nxpk= 20, iat=1166, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1168,1169,
&end
#
# 40 LYS HN 40 LYS HB+ 3.50 (# 1069:20 Unique 2.17, 3.48 A)
&rst
ixpk= 1069, nxpk= 20, iat= 634, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 638, 639,
&end
#
# 0 AMB 20-2:1070 0 AMB 20-1:1070 3.50 (# 1070:20 Double Ambig)
&rst
ixpk= 1070, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 644, 645, 641, 642,
igr2= 638, 639, 638, 639,
&end
#
# 66 TYR HA 40 LYS HB+ 3.50 (# 1071:20 Unique 2.24, 3.76 A)
&rst
ixpk= 1071, nxpk= 20, iat=1026, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 638, 639,
&end
#
# 40 LYS HA 40 LYS HB+ 3.50 (# 1072:20 Unique 2.43, 2.78 A)
&rst
ixpk= 1072, nxpk= 20, iat= 636, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 638, 639,
&end
#
# 58 LYS HA 58 LYS HB- 3.50 (# 1073:20 Unique 2.39, 2.77 A)
&rst
ixpk= 1073, nxpk= 20, iat= 901, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 903, 904,
&end
#
# 58 LYS HN 58 LYS HB- 3.50 (# 1074:20 Unique 2.07, 2.54 A)
&rst
ixpk= 1074, nxpk= 20, iat= 899, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 903, 904,
&end
#
# 0 AMB 20-2:1075 58 LYS HB- 3.50 (# 1075:20 Single Ambig)
&rst
ixpk= 1075, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 740, 741, 742, 744, 745, 746,1082,1083,1084,1086,
1087,1088,1082,1083,1084,1086,1087,1088,
igr2= 903, 904,
&end
#
# 40 LYS HN 40 LYS HB- 3.50 (# 1076:20 Unique 2.17, 3.48 A)
&rst
ixpk= 1076, nxpk= 20, iat= 634, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 638, 639,
&end
#
# 40 LYS HA 40 LYS HB- 3.50 (# 1077:20 Unique 2.43, 2.78 A)
&rst
ixpk= 1077, nxpk= 20, iat= 636, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 638, 639,
&end
#
# 0 AMB 20-2:1078 40 LYS HB- 3.50 (# 1078:20 Single Ambig)
&rst
ixpk= 1078, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 644, 645, 641, 642,
igr2= 638, 639,
&end
#
# 40 LYS HG- 40 LYS HB- 3.50 (# 1079:20 Unique 2.21, 2.69 A)
&rst
ixpk= 1079, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 641, 642,
igr2= 638, 639,
&end
#
# 66 TYR HA 40 LYS HB- 4.50 (# 1080:20 Unique 2.24, 3.76 A)
&rst
ixpk= 1080, nxpk= 20, iat=1026, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 638, 639,
&end
#
# 0 AMB 20-2:1081 0 AMB 20-1:1081 3.50 (# 1081:20 Double Ambig)
&rst
ixpk= 1081, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 773, 260,
igr2= 121, 122, 262, 263,
&end
#
# 0 AMB 20-2:1083 0 AMB 20-1:1083 2.80 (# 1083:20 Double Ambig)
&rst
ixpk= 1083, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 130, 478,
igr2= 121, 122, 466,
&end
#
# 29 VAL HN 29 VAL HB 2.80 (# 1084:20 Unique 2.11, 2.31 A)
&rst
ixpk= 1084, nxpk= 20, iat= 462, 466, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 26 LEU HA 29 VAL HB 3.50 (# 1085:20 Unique 1.98, 2.66 A)
&rst
ixpk= 1085, nxpk= 20, iat= 408, 466, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 29 VAL HA 29 VAL HB 3.50 (# 1086:20 Unique 2.51, 2.73 A)
&rst
ixpk= 1086, nxpk= 20, iat= 464, 466, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:1087 29 VAL HB 2.80 (# 1087:20 Single Ambig)
&rst
ixpk= 1087, nxpk= 20, iat= -1, 466, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 468, 469, 470, 472, 473, 474, 415, 416, 417, 419,
420, 421,
&end
#
# 0 AMB 20-2:1088 29 VAL HB 2.80 (# 1088:20 Single Ambig)
&rst
ixpk= 1088, nxpk= 20, iat= -1, 466, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 468, 469, 470, 472, 473, 474, 107, 108, 109, 111,
112, 113,
&end
#
# 24 ILE QG2 29 VAL HB 4.50 (# 1089:20 Unique 2.01, 4.37 A)
&rst
ixpk= 1089, nxpk= 20, iat= -1, 466, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 379, 380, 381,
&end
#
# 76 LYS HN 76 LYS HB+ 3.50 (# 1090:20 Unique 2.06, 2.98 A)
&rst
ixpk= 1090, nxpk= 20, iat=1164, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1168,1169,
&end
#
# 76 LYS HN 76 LYS HB- 3.50 (# 1091:20 Unique 2.06, 2.98 A)
&rst
ixpk= 1091, nxpk= 20, iat=1164, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1168,1169,
&end
#
# 28 GLU HN 28 GLU HB+ 4.50 (# 1093:20 Unique 2.11, 2.98 A)
&rst
ixpk= 1093, nxpk= 20, iat= 447, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 451, 452,
&end
#
# 28 GLU HA 28 GLU HB+ 3.50 (# 1094:20 Unique 2.26, 2.77 A)
&rst
ixpk= 1094, nxpk= 20, iat= 449, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 451, 452,
&end
#
# 24 ILE QG2 28 GLU HB+ 4.50 (# 1095:20 Unique 1.97, 3.59 A)
&rst
ixpk= 1095, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 379, 380, 381,
igr2= 451, 452,
&end
#
# 32 ARG HD- 28 GLU HB+ 3.50 (# 1096:20 Unique 2.19, 4.43 A)
&rst
ixpk= 1096, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 525, 526,
igr2= 451, 452,
&end
#
# 28 GLU HA 28 GLU HB- 3.50 (# 1097:20 Unique 2.26, 2.77 A)
&rst
ixpk= 1097, nxpk= 20, iat= 449, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 451, 452,
&end
#
# 25 PRO HD+ 28 GLU HB- 4.50 (# 1098:20 Unique 2.01, 4.03 A)
&rst
ixpk= 1098, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 393, 394,
igr2= 451, 452,
&end
#
# 32 ARG HD- 28 GLU HB- 4.50 (# 1099:20 Unique 2.19, 4.43 A)
&rst
ixpk= 1099, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 525, 526,
igr2= 451, 452,
&end
#
# 24 ILE QG2 28 GLU HB- 3.50 (# 1100:20 Unique 1.97, 3.59 A)
&rst
ixpk= 1100, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 379, 380, 381,
igr2= 451, 452,
&end
#
# 0 AMB 20-2:1101 7 VAL HB 4.50 (# 1101:20 Single Ambig)
&rst
ixpk= 1101, nxpk= 20, iat= -1, 105, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 466, 121, 122,
&end
#
# 0 AMB 20-2:1102 7 VAL HB 2.80 (# 1102:20 Single Ambig)
&rst
ixpk= 1102, nxpk= 20, iat= -1, 105, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 107, 108, 109, 111, 112, 113, 468, 469, 470, 472,
473, 474,
&end
#
# 7 VAL HA 7 VAL HB 3.50 (# 1103:20 Unique 2.37, 2.40 A)
&rst
ixpk= 1103, nxpk= 20, iat= 103, 105, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 26 LEU HA 7 VAL HB 3.50 (# 1104:20 Unique 2.73, 3.14 A)
&rst
ixpk= 1104, nxpk= 20, iat= 408, 105, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 7 VAL MGX 7 VAL HB 2.80 (# 1105:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1105, nxpk= 20, iat= -1, 105, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 107, 108, 109, 111, 112, 113,
&end
#
# 0 AMB 20-2:1106 7 VAL HB 4.50 (# 1106:20 Single Ambig)
&rst
ixpk= 1106, nxpk= 20, iat= -1, 105, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 466, 121, 122,
&end
#
# 31 GLU HA 0 AMB 20-1:1107 2.80 (# 1107:20 Single Ambig)
&rst
ixpk= 1107, nxpk= 20, iat= 502, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2= 504, 505, 504, 505,
&end
#
# 32 ARG HN 0 AMB 20-1:1108 3.50 (# 1108:20 Single Ambig)
&rst
ixpk= 1108, nxpk= 20, iat= 515, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 504, 505, 504, 505,
&end
#
# 31 GLU HN 0 AMB 20-1:1109 2.80 (# 1109:20 Single Ambig)
&rst
ixpk= 1109, nxpk= 20, iat= 500, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2= 504, 505, 504, 505,
&end
#
# 0 AMB 20-2:1110 0 AMB 20-1:1110 2.80 (# 1110:20 Double Ambig)
&rst
ixpk= 1110, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 507, 508, 507, 508, 507, 508,
igr2= 504, 505, 504, 505, 504, 505,
&end
#
# 0 AMB 20-2:1111 0 AMB 20-1:1111 2.80 (# 1111:20 Double Ambig)
&rst
ixpk= 1111, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 820, 821, 820, 821,
igr2= 817, 818, 817, 818,
&end
#
# 4 TRP HN 4 TRP HB+ 3.50 (# 1112:20 Unique 2.20, 2.97 A)
&rst
ixpk= 1112, nxpk= 20, iat= 46, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 50, 51,
&end
#
# 4 TRP HE3 4 TRP HB+ 3.50 (# 1113:20 Unique 2.51, 3.41 A)
&rst
ixpk= 1113, nxpk= 20, iat= 65, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 50, 51,
&end
#
# 4 TRP HA 4 TRP HB+ 3.50 (# 1114:20 Unique 2.50, 2.80 A)
&rst
ixpk= 1114, nxpk= 20, iat= 48, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 50, 51,
&end
#
# 21 ALA HA 4 TRP HB+ 3.50 (# 1115:20 Unique 2.15, 3.05 A)
&rst
ixpk= 1115, nxpk= 20, iat= 332, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 50, 51,
&end
#
# 21 ALA MB 4 TRP HB+ 3.50 (# 1116:20 Unique 2.00, 3.76 A)
&rst
ixpk= 1116, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 334, 335, 336,
igr2= 50, 51,
&end
#
# 22 ILE HG1- 4 TRP HB+ 4.50 (# 1117:20 Unique 4.43, 6.04 A)
&rst
ixpk= 1117, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 350, 351,
igr2= 50, 51,
&end
#
# 22 ILE HG1- 4 TRP HB- 4.50 (# 1118:20 Unique 4.43, 6.04 A)
&rst
ixpk= 1118, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 350, 351,
igr2= 50, 51,
&end
#
# 4 TRP HN 4 TRP HB- 3.50 (# 1119:20 Unique 2.20, 2.97 A)
&rst
ixpk= 1119, nxpk= 20, iat= 46, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 50, 51,
&end
#
# 4 TRP HA 4 TRP HB- 3.50 (# 1120:20 Unique 2.50, 2.80 A)
&rst
ixpk= 1120, nxpk= 20, iat= 48, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 50, 51,
&end
#
# 21 ALA HA 4 TRP HB- 3.50 (# 1121:20 Unique 2.15, 3.05 A)
&rst
ixpk= 1121, nxpk= 20, iat= 332, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 50, 51,
&end
#
# 26 LEU HN 7 VAL HB 4.50 (# 1122:20 Unique 2.81, 3.45 A)
&rst
ixpk= 1122, nxpk= 20, iat= 406, 105, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:1123 7 VAL HB 3.50 (# 1123:20 Single Ambig)
&rst
ixpk= 1123, nxpk= 20, iat= -1, 105, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1= 410, 411, 893, 894, 895,
&end
#
# 0 AMB 20-2:1124 7 VAL HB 3.50 (# 1124:20 Single Ambig)
&rst
ixpk= 1124, nxpk= 20, iat= -1, 105, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 415, 416, 417, 419, 420, 421, 468, 469, 470, 472,
473, 474,
&end
#
# 0 AMB 20-2:1125 0 AMB 20-1:1125 4.50 (# 1125:20 Double Ambig)
&rst
ixpk= 1125, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 823, 824, 823, 824, 823, 824,
igr2= 817, 818, 817, 818, 817, 818,
&end
#
# 0 AMB 20-2:1127 0 AMB 20-1:1127 3.50 (# 1127:20 Double Ambig)
&rst
ixpk= 1127, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1099,1100,1099,1100,
igr2= 909, 910, 909, 910,
&end
#
# 58 LYS HE+ 58 LYS HD- 3.50 (# 1129:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1129, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 912, 913,
igr2= 909, 910,
&end
#
# 58 LYS HB+ 58 LYS HD- 3.50 (# 1130:20 Unique 2.00, 3.12 A)
&rst
ixpk= 1130, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 903, 904,
igr2= 909, 910,
&end
#
# 58 LYS HG- 58 LYS HD- 3.50 (# 1131:20 Unique 2.23, 2.67 A)
&rst
ixpk= 1131, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 906, 907,
igr2= 909, 910,
&end
#
# 0 AMB 20-2:1132 0 AMB 20-1:1132 3.50 (# 1132:20 Double Ambig)
&rst
ixpk= 1132, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.77, r4= 8.52,
igr1= 942, 943, 944,1082,1083,1084,1086,1087,1088, 415,
416, 417, 419, 420, 421,
igr2= 488, 489, 488, 489, 909, 910, 488, 489,
&end
#
# 58 LYS HB+ 58 LYS HD+ 2.80 (# 1133:20 Unique 2.00, 3.12 A)
&rst
ixpk= 1133, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 903, 904,
igr2= 909, 910,
&end
#
# 0 AMB 20-2:1134 9 VAL HB 2.80 (# 1134:20 Single Ambig)
&rst
ixpk= 1134, nxpk= 20, iat= -1, 145, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 158, 159, 158, 159,
&end
#
# 9 VAL MGY 9 VAL HB 2.80 (# 1135:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1135, nxpk= 20, iat= -1, 145, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 147, 148, 149, 151, 152, 153,
&end
#
# 0 AMB 20-2:1136 0 AMB 20-1:1136 2.80 (# 1136:20 Double Ambig)
&rst
ixpk= 1136, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 839, 143,
igr2= 841, 842, 145,
&end
#
# 9 VAL MGX 9 VAL HB 2.80 (# 1137:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1137, nxpk= 20, iat= -1, 145, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 147, 148, 149, 151, 152, 153,
&end
#
# 0 AMB 20-2:1138 0 AMB 20-1:1138 3.50 (# 1138:20 Double Ambig)
&rst
ixpk= 1138, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 178, 179, 178, 179, 844, 845,
igr2= 145, 841, 842,
&end
#
# 7 VAL MGX 53 GLN HB+ 4.50 (# 1139:20 Unique 2.00, 6.06 A)
&rst
ixpk= 1139, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 107, 108, 109, 111, 112, 113,
igr2= 841, 842,
&end
#
# 53 GLN HA 53 GLN HB- 3.50 (# 1140:20 Unique 2.38, 2.75 A)
&rst
ixpk= 1140, nxpk= 20, iat= 839, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 841, 842,
&end
#
# 0 AMB 20-2:1141 0 AMB 20-1:1141 2.80 (# 1141:20 Double Ambig)
&rst
ixpk= 1141, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.20, r4= 7.95,
igr1=1177,1178,1177,1178,1177,1178, 491, 492, 491, 492,
491, 492, 438, 439, 438, 439, 438, 439,
igr2=1174,1175,1174,1175,1174,1175, 488, 489, 488, 489,
488, 489, 435, 436, 435, 436,
&end
#
# 1 ALA MB 68 HIS HB- 5.50 (# 1142:20 Unique 4.72, 7.09 A)
&rst
ixpk= 1142, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 8, 9, 10,
igr2=1063,1064,
&end
#
# 63 GLU HN 0 AMB 20-1:1144 2.80 (# 1144:20 Single Ambig)
&rst
ixpk= 1144, nxpk= 20, iat= 985, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2= 989, 990, 989, 990,
&end
#
# 64 MET HN 0 AMB 20-1:1145 3.50 (# 1145:20 Single Ambig)
&rst
ixpk= 1145, nxpk= 20, iat=1000, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 989, 990, 989, 990,
&end
#
# 60 ILE HA 0 AMB 20-1:1146 3.50 (# 1146:20 Single Ambig)
&rst
ixpk= 1146, nxpk= 20, iat= 938, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 989, 990, 989, 990,
&end
#
# 60 ILE HN 0 AMB 20-1:1147 3.50 (# 1147:20 Single Ambig)
&rst
ixpk= 1147, nxpk= 20, iat= 936, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 925, 926, 925, 926,
&end
#
# 59 GLU HN 0 AMB 20-1:1148 3.50 (# 1148:20 Single Ambig)
&rst
ixpk= 1148, nxpk= 20, iat= 921, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 925, 926, 925, 926,
&end
#
# 53 GLN HG- 53 GLN HB- 2.80 (# 1149:20 Unique 2.21, 2.69 A)
&rst
ixpk= 1149, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 844, 845,
igr2= 841, 842,
&end
#
# 52 ARG HG+ 53 GLN HB- 3.50 (# 1150:20 Unique 2.56, 4.64 A)
&rst
ixpk= 1150, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 820, 821,
igr2= 841, 842,
&end
#
# 26 LEU MDX 53 GLN HB- 3.50 (# 1151:20 Unique 2.09, 5.85 A)
&rst
ixpk= 1151, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 415, 416, 417, 419, 420, 421,
igr2= 841, 842,
&end
#
# 7 VAL MGX 53 GLN HB- 3.50 (# 1152:20 Unique 2.00, 6.06 A)
&rst
ixpk= 1152, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 107, 108, 109, 111, 112, 113,
igr2= 841, 842,
&end
#
# 0 AMB 20-2:1153 0 AMB 20-1:1153 2.80 (# 1153:20 Double Ambig)
&rst
ixpk= 1153, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.41, r4= 7.16,
igr1= 432, 433, 432, 433, 432, 433,1303,1304,1303,1304,
1303,1304,
igr2= 435, 436, 435, 436, 435, 436,1306,1307,1306,1307,
1306,1307,
&end
#
# 0 AMB 20-2:1155 0 AMB 20-1:1155 3.50 (# 1155:20 Double Ambig)
&rst
ixpk= 1155, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.24, r4= 6.99,
igr1=1154,1155,1156,1158,1159,1160,1265,1266,
igr2=1268,1269,1268,1269,
&end
#
# 82 LYS HE+ 82 LYS HD+ 3.50 (# 1156:20 Unique 2.22, 2.69 A)
&rst
ixpk= 1156, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1271,1272,
igr2=1268,1269,
&end
#
# 82 LYS HE- 82 LYS HD+ 4.50 (# 1157:20 Unique 2.22, 2.69 A)
&rst
ixpk= 1157, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1271,1272,
igr2=1268,1269,
&end
#
# 16 GLU HG- 82 LYS HD+ 2.80 (# 1158:20 Unique 2.25, 3.84 A)
&rst
ixpk= 1158, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 265, 266,
igr2=1268,1269,
&end
#
# 82 LYS HE- 82 LYS HD- 4.50 (# 1159:20 Unique 2.22, 2.69 A)
&rst
ixpk= 1159, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1271,1272,
igr2=1268,1269,
&end
#
# 0 AMB 20-2:1160 0 AMB 20-1:1160 3.50 (# 1160:20 Double Ambig)
&rst
ixpk= 1160, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 647, 648, 647, 648,
igr2= 644, 645, 644, 645,
&end
#
# 40 LYS HG- 40 LYS HD+ 3.50 (# 1161:20 Unique 2.22, 2.71 A)
&rst
ixpk= 1161, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 641, 642,
igr2= 644, 645,
&end
#
# 0 AMB 20-2:1162 40 LYS HD- 3.50 (# 1162:20 Single Ambig)
&rst
ixpk= 1162, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 647, 648, 647, 648,
igr2= 644, 645,
&end
#
# 40 LYS HB+ 40 LYS HD- 3.50 (# 1163:20 Unique 1.99, 2.92 A)
&rst
ixpk= 1163, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 638, 639,
igr2= 644, 645,
&end
#
# 40 LYS HG- 40 LYS HD- 3.50 (# 1164:20 Unique 2.22, 2.71 A)
&rst
ixpk= 1164, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 641, 642,
igr2= 644, 645,
&end
#
# 68 HIS HN 68 HIS HB+ 4.50 (# 1165:20 Unique 2.53, 3.32 A)
&rst
ixpk= 1165, nxpk= 20, iat=1059, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1063,1064,
&end
#
# 68 HIS HA 68 HIS HB+ 3.50 (# 1166:20 Unique 2.32, 2.78 A)
&rst
ixpk= 1166, nxpk= 20, iat=1061, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1063,1064,
&end
#
# 43 THR MG2 68 HIS HB+ 4.50 (# 1167:20 Unique 3.59, 5.47 A)
&rst
ixpk= 1167, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 688, 689, 690,
igr2=1063,1064,
&end
#
# 68 HIS HN 68 HIS HB- 3.50 (# 1168:20 Unique 2.53, 3.32 A)
&rst
ixpk= 1168, nxpk= 20, iat=1059, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1063,1064,
&end
#
# 63 GLU HA 0 AMB 20-1:1170 2.80 (# 1170:20 Single Ambig)
&rst
ixpk= 1170, nxpk= 20, iat= 987, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2= 989, 990, 989, 990,
&end
#
# 0 AMB 20-2:1171 0 AMB 20-1:1171 3.50 (# 1171:20 Double Ambig)
&rst
ixpk= 1171, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1007,1008,1007,1008,
igr2= 989, 990, 989, 990,
&end
#
# 0 AMB 20-2:1172 0 AMB 20-1:1172 3.50 (# 1172:20 Double Ambig)
&rst
ixpk= 1172, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1007,1008,1004,1005,1004,1005,
igr2= 989, 990, 989, 990, 989, 990,
&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= 0.00, r2= 1.80, r3= 6.58, r4= 7.33,
igr1= 992, 993, 992, 993, 248, 249, 928, 929, 928, 929,
992, 993,
igr2= 989, 990, 989, 990, 245, 246, 245, 246, 925, 926,
925, 926, 925, 926,
&end
#
# 0 AMB 20-2:1174 0 AMB 20-1:1174 4.50 (# 1174:20 Double Ambig)
&rst
ixpk= 1174, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 884, 885, 884, 885,
igr2= 925, 926, 925, 926,
&end
#
# 60 ILE HG1- 0 AMB 20-1:1175 4.50 (# 1175:20 Single Ambig)
&rst
ixpk= 1175, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 946, 947,
igr2= 925, 926, 925, 926,
&end
#
# 58 LYS HB- 0 AMB 20-1:1176 4.50 (# 1176:20 Single Ambig)
&rst
ixpk= 1176, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 903, 904,
igr2= 925, 926, 925, 926,
&end
#
# 19 GLN HN 19 GLN HB+ 3.50 (# 1180:20 Unique 2.09, 2.56 A)
&rst
ixpk= 1180, nxpk= 20, iat= 306, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 310, 311,
&end
#
# 0 AMB 20-2:1181 0 AMB 20-1:1181 3.50 (# 1181:20 Double Ambig)
&rst
ixpk= 1181, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 308, 891,
igr2= 310, 311, 946, 947,
&end
#
# 0 AMB 20-2:1182 0 AMB 20-1:1182 2.80 (# 1182:20 Double Ambig)
&rst
ixpk= 1182, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 313, 314, 925, 926, 925, 926,
igr2= 310, 311, 946, 947,
&end
#
# 19 GLN HG+ 19 GLN HB- 2.80 (# 1183:20 Unique 2.21, 2.67 A)
&rst
ixpk= 1183, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 313, 314,
igr2= 310, 311,
&end
#
# 83 VAL MGX 19 GLN HB- 4.50 (# 1184:20 Unique 2.06, 5.55 A)
&rst
ixpk= 1184, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1286,1287,1288,1290,1291,1292,
igr2= 310, 311,
&end
#
# 19 GLN HN 19 GLN HB- 3.50 (# 1185:20 Unique 2.09, 2.56 A)
&rst
ixpk= 1185, nxpk= 20, iat= 306, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 310, 311,
&end
#
# 19 GLN HA 19 GLN HB- 3.50 (# 1186:20 Unique 2.39, 2.77 A)
&rst
ixpk= 1186, nxpk= 20, iat= 308, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 310, 311,
&end
#
# 0 AMB 20-2:1188 82 LYS HD- 3.50 (# 1188:20 Single Ambig)
&rst
ixpk= 1188, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1154,1155,1156,1158,1159,1160,1265,1266,
igr2=1268,1269,
&end
#
# 82 LYS HE+ 82 LYS HD- 3.50 (# 1190:20 Unique 2.22, 2.69 A)
&rst
ixpk= 1190, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1271,1272,
igr2=1268,1269,
&end
#
# 45 LYS HE+ 45 LYS HD+ 3.50 (# 1191:20 Unique 2.22, 2.69 A)
&rst
ixpk= 1191, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 725, 726,
igr2= 722, 723,
&end
#
# 45 LYS HE- 45 LYS HD- 4.50 (# 1192:20 Unique 2.22, 2.69 A)
&rst
ixpk= 1192, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 725, 726,
igr2= 722, 723,
&end
#
# 60 ILE QD1 56 GLN HB+ 3.50 (# 1194:20 Unique 2.23, 4.77 A)
&rst
ixpk= 1194, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 949, 950, 951,
igr2= 876, 877,
&end
#
# 16 GLU HN 0 AMB 20-1:1195 3.50 (# 1195:20 Single Ambig)
&rst
ixpk= 1195, nxpk= 20, iat= 258, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 245, 246, 245, 246,
&end
#
# 15 GLN HN 0 AMB 20-1:1196 2.80 (# 1196:20 Single Ambig)
&rst
ixpk= 1196, nxpk= 20, iat= 241, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2= 245, 246, 245, 246,
&end
#
# 11 GLU HA 0 AMB 20-1:1197 2.80 (# 1197:20 Single Ambig)
&rst
ixpk= 1197, nxpk= 20, iat= 173, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2= 175, 176, 175, 176,
&end
#
# 0 AMB 20-2:1198 0 AMB 20-1:1198 2.80 (# 1198:20 Double Ambig)
&rst
ixpk= 1198, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 178, 179, 178, 179, 178, 179,
igr2= 175, 176, 175, 176, 175, 176,
&end
#
# 11 GLU HN 0 AMB 20-1:1199 3.50 (# 1199:20 Single Ambig)
&rst
ixpk= 1199, nxpk= 20, iat= 171, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 175, 176, 175, 176,
&end
#
# 11 GLU HA 0 AMB 20-1:1200 2.80 (# 1200:20 Single Ambig)
&rst
ixpk= 1200, nxpk= 20, iat= 173, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2= 175, 176, 175, 176,
&end
#
# 0 AMB 20-2:1201 0 AMB 20-1:1201 2.80 (# 1201:20 Double Ambig)
&rst
ixpk= 1201, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 178, 179, 178, 179, 178, 179,
igr2= 175, 176, 175, 176, 175, 176,
&end
#
# 9 VAL MGX 0 AMB 20-1:1202 5.50 (# 1202:20 Single Ambig)
&rst
ixpk= 1202, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 147, 148, 149, 151, 152, 153,
igr2= 175, 176, 175, 176,
&end
#
# 0 AMB 20-2:1203 0 AMB 20-1:1203 3.50 (# 1203:20 Double Ambig)
&rst
ixpk= 1203, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 938,1245,1246,
igr2= 946, 947, 310, 311,
&end
#
# 0 AMB 20-2:1204 60 ILE HG1- 2.80 (# 1204:20 Single Ambig)
&rst
ixpk= 1204, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 949, 950, 951, 942, 943, 944,
igr2= 946, 947,
&end
#
# 60 ILE HN 60 ILE HG1- 3.50 (# 1205:20 Unique 1.95, 2.78 A)
&rst
ixpk= 1205, nxpk= 20, iat= 936, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 946, 947,
&end
#
# 0 AMB 20-2:1206 0 AMB 20-1:1206 3.50 (# 1206:20 Double Ambig)
&rst
ixpk= 1206, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 636, 938,
igr2= 644, 645, 946, 947,
&end
#
# 0 AMB 20-2:1207 0 AMB 20-1:1207 2.80 (# 1207:20 Double Ambig)
&rst
ixpk= 1207, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 949, 950, 951, 942, 943, 944,
igr2= 946, 947, 946, 947,
&end
#
# 60 ILE HN 60 ILE HG1+ 3.50 (# 1208:20 Unique 1.95, 2.78 A)
&rst
ixpk= 1208, nxpk= 20, iat= 936, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 946, 947,
&end
#
# 53 GLN HB+ 48 CYS HB+ 5.50 (# 1209:20 Unique 3.27, 4.52 A)
&rst
ixpk= 1209, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 841, 842,
igr2= 775, 776,
&end
#
# 8 ARG HG- 48 CYS HB+ 4.50 (# 1210:20 Unique 2.00, 3.85 A)
&rst
ixpk= 1210, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 124, 125,
igr2= 775, 776,
&end
#
# 7 VAL MGX 48 CYS HB+ 3.50 (# 1211:20 Unique 2.06, 5.84 A)
&rst
ixpk= 1211, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 107, 108, 109, 111, 112, 113,
igr2= 775, 776,
&end
#
# 53 GLN HB+ 48 CYS HB- 4.50 (# 1213:20 Unique 3.27, 4.52 A)
&rst
ixpk= 1213, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 841, 842,
igr2= 775, 776,
&end
#
# 7 VAL MGX 48 CYS HB- 3.50 (# 1214:20 Unique 2.06, 5.84 A)
&rst
ixpk= 1214, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 107, 108, 109, 111, 112, 113,
igr2= 775, 776,
&end
#
# 57 ALA HN 56 GLN HB+ 4.50 (# 1215:20 Unique 2.38, 3.18 A)
&rst
ixpk= 1215, nxpk= 20, iat= 889, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 876, 877,
&end
#
# 56 GLN HN 56 GLN HB+ 3.50 (# 1216:20 Unique 2.10, 2.64 A)
&rst
ixpk= 1216, nxpk= 20, iat= 872, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 876, 877,
&end
#
# 53 GLN HA 56 GLN HB+ 4.50 (# 1217:20 Unique 2.40, 3.30 A)
&rst
ixpk= 1217, nxpk= 20, iat= 839, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 876, 877,
&end
#
# 56 GLN HA 56 GLN HB+ 3.50 (# 1218:20 Unique 2.46, 2.81 A)
&rst
ixpk= 1218, nxpk= 20, iat= 874, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 876, 877,
&end
#
# 56 GLN HG+ 56 GLN HB+ 2.80 (# 1219:20 Unique 2.25, 2.59 A)
&rst
ixpk= 1219, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 879, 880,
igr2= 876, 877,
&end
#
# 26 LEU MDX 56 GLN HB+ 4.50 (# 1220:20 Unique 2.00, 5.25 A)
&rst
ixpk= 1220, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 415, 416, 417, 419, 420, 421,
igr2= 876, 877,
&end
#
# 12 GLN HA 0 AMB 20-1:1221 2.80 (# 1221:20 Single Ambig)
&rst
ixpk= 1221, nxpk= 20, iat= 188, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2= 245, 246, 245, 246,
&end
#
# 57 ALA HN 56 GLN HB- 4.50 (# 1222:20 Unique 2.38, 3.18 A)
&rst
ixpk= 1222, nxpk= 20, iat= 889, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 876, 877,
&end
#
# 0 AMB 20-2:1223 0 AMB 20-1:1223 2.80 (# 1223:20 Double Ambig)
&rst
ixpk= 1223, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 188, 874,
igr2= 190, 191, 190, 191, 876, 877,
&end
#
# 0 AMB 20-2:1224 0 AMB 20-1:1224 3.50 (# 1224:20 Double Ambig)
&rst
ixpk= 1224, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 147, 148, 149, 151, 152, 153, 415, 416, 417, 419,
420, 421,
igr2= 190, 191, 190, 191, 876, 877,
&end
#
# 26 LEU MDY 56 GLN HB- 3.50 (# 1225:20 Unique 2.00, 5.25 A)
&rst
ixpk= 1225, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 415, 416, 417, 419, 420, 421,
igr2= 876, 877,
&end
#
# 12 GLN HN 0 AMB 20-1:1226 3.50 (# 1226:20 Single Ambig)
&rst
ixpk= 1226, nxpk= 20, iat= 186, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 190, 191, 190, 191,
&end
#
# 15 GLN HN 0 AMB 20-1:1227 3.50 (# 1227:20 Single Ambig)
&rst
ixpk= 1227, nxpk= 20, iat= 241, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 228, 229, 228, 229,
&end
#
# 14 GLN HN 0 AMB 20-1:1228 3.50 (# 1228:20 Single Ambig)
&rst
ixpk= 1228, nxpk= 20, iat= 224, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 228, 229, 228, 229,
&end
#
# 12 GLN HN 0 AMB 20-1:1229 3.50 (# 1229:20 Single Ambig)
&rst
ixpk= 1229, nxpk= 20, iat= 186, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 190, 191, 190, 191,
&end
#
# 11 GLU HA 0 AMB 20-1:1230 4.50 (# 1230:20 Single Ambig)
&rst
ixpk= 1230, nxpk= 20, iat= 173, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 228, 229, 228, 229,
&end
#
# 14 GLN HN 0 AMB 20-1:1231 3.50 (# 1231:20 Single Ambig)
&rst
ixpk= 1231, nxpk= 20, iat= 224, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 228, 229, 228, 229,
&end
#
# 15 GLN HN 0 AMB 20-1:1232 3.50 (# 1232:20 Single Ambig)
&rst
ixpk= 1232, nxpk= 20, iat= 241, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 228, 229, 228, 229,
&end
#
# 14 GLN HA 0 AMB 20-1:1233 3.50 (# 1233:20 Single Ambig)
&rst
ixpk= 1233, nxpk= 20, iat= 226, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 228, 229, 228, 229,
&end
#
# 61 LEU MDY 61 LEU HG 2.80 (# 1234:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1234, nxpk= 20, iat= -1, 962, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 964, 965, 966, 968, 969, 970,
&end
#
# 10 PRO HA 0 AMB 20-1:1236 4.50 (# 1236:20 Single Ambig)
&rst
ixpk= 1236, nxpk= 20, iat= 167, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr2= 161, 162, 190, 191, 190, 191, 228, 229,
&end
#
# 0 AMB 20-2:1237 0 AMB 20-1:1237 2.80 (# 1237:20 Double Ambig)
&rst
ixpk= 1237, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 158, 159, 158, 159,
igr2= 161, 162, 161, 162,
&end
#
# 9 VAL HA 25 PRO HG+ 4.50 (# 1238:20 Unique 4.07, 4.81 A)
&rst
ixpk= 1238, nxpk= 20, iat= 143, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 396, 397,
&end
#
# 0 AMB 20-2:1239 0 AMB 20-1:1239 2.80 (# 1239:20 Double Ambig)
&rst
ixpk= 1239, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 158, 159, 158, 159,
igr2= 396, 397, 396, 397,
&end
#
# 25 PRO HD+ 25 PRO HG+ 3.50 (# 1240:20 Unique 2.30, 2.58 A)
&rst
ixpk= 1240, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 393, 394,
igr2= 396, 397,
&end
#
# 25 PRO HD- 25 PRO HG+ 3.50 (# 1241:20 Unique 2.30, 2.58 A)
&rst
ixpk= 1241, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 393, 394,
igr2= 396, 397,
&end
#
# 25 PRO HB- 25 PRO HG+ 2.80 (# 1242:20 Unique 2.32, 2.58 A)
&rst
ixpk= 1242, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 399, 400,
igr2= 396, 397,
&end
#
# 0 AMB 20-2:1243 0 AMB 20-1:1243 4.50 (# 1243:20 Double Ambig)
&rst
ixpk= 1243, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1254, 143,
igr2=1248,1249, 396, 397, 161, 162,
&end
#
# 81 PRO HD- 81 PRO HG+ 3.50 (# 1244:20 Unique 2.30, 2.58 A)
&rst
ixpk= 1244, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1245,1246,
igr2=1248,1249,
&end
#
# 81 PRO HB+ 81 PRO HG+ 2.80 (# 1245:20 Unique 2.32, 2.58 A)
&rst
ixpk= 1245, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1251,1252,
igr2=1248,1249,
&end
#
# 0 AMB 20-2:1246 0 AMB 20-1:1246 2.80 (# 1246:20 Double Ambig)
&rst
ixpk= 1246, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 435, 436, 435, 436,1251,1252,
igr2= 396, 397, 396, 397,1248,1249,
&end
#
# 0 AMB 20-2:1247 10 PRO HG- 2.80 (# 1247:20 Single Ambig)
&rst
ixpk= 1247, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 158, 159, 158, 159,
igr2= 161, 162,
&end
#
# 0 AMB 20-2:1248 0 AMB 20-1:1248 2.80 (# 1248:20 Double Ambig)
&rst
ixpk= 1248, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1245,1246, 91,
igr2=1248,1249, 124, 125,
&end
#
# 0 AMB 20-2:1249 0 AMB 20-1:1249 3.50 (# 1249:20 Double Ambig)
&rst
ixpk= 1249, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 127, 128,1245,1246,
igr2= 124, 125,1248,1249,
&end
#
# 0 AMB 20-2:1250 0 AMB 20-1:1250 2.80 (# 1250:20 Double Ambig)
&rst
ixpk= 1250, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 121, 122,1251,1252,
igr2= 124, 125,1248,1249,
&end
#
# 0 AMB 20-2:1251 0 AMB 20-1:1251 2.80 (# 1251:20 Double Ambig)
&rst
ixpk= 1251, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 451, 452,1251,1252,
igr2= 396, 397,1248,1249,
&end
#
# 25 PRO HB- 25 PRO HG- 3.50 (# 1252:20 Unique 2.32, 2.58 A)
&rst
ixpk= 1252, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 399, 400,
igr2= 396, 397,
&end
#
# 9 VAL HA 0 AMB 20-1:1253 4.50 (# 1253:20 Single Ambig)
&rst
ixpk= 1253, nxpk= 20, iat= 143, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 396, 397, 124, 125,
&end
#
# 0 AMB 20-2:1254 0 AMB 20-1:1254 3.50 (# 1254:20 Double Ambig)
&rst
ixpk= 1254, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 775, 776, 393, 394,
igr2= 124, 125, 396, 397,
&end
#
# 0 AMB 20-2:1255 0 AMB 20-1:1255 2.80 (# 1255:20 Double Ambig)
&rst
ixpk= 1255, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 127, 128, 393, 394,
igr2= 124, 125, 396, 397,
&end
#
# 0 AMB 20-2:1256 0 AMB 20-1:1256 2.80 (# 1256:20 Double Ambig)
&rst
ixpk= 1256, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1= 451, 452, 190, 191, 190, 191, 399, 400,
igr2= 396, 397, 124, 125, 124, 125,
&end
#
# 32 ARG HA 32 ARG HG+ 3.50 (# 1257:20 Unique 2.07, 2.98 A)
&rst
ixpk= 1257, nxpk= 20, iat= 517, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 522, 523,
&end
#
# 32 ARG HN 32 ARG HG+ 4.50 (# 1258:20 Unique 3.05, 4.44 A)
&rst
ixpk= 1258, nxpk= 20, iat= 515, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 522, 523,
&end
#
# 0 AMB 20-2:1259 0 AMB 20-1:1259 3.50 (# 1259:20 Double Ambig)
&rst
ixpk= 1259, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 525, 526, 525, 526,
igr2= 522, 523, 522, 523,
&end
#
# 0 AMB 20-2:1260 0 AMB 20-1:1260 3.50 (# 1260:20 Double Ambig)
&rst
ixpk= 1260, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 379, 380, 381, 386, 387, 388,
igr2= 522, 523, 522, 523,
&end
#
# 78 ILE QG2 78 ILE HG1- 3.50 (# 1262:20 Unique 2.42, 3.47 A)
&rst
ixpk= 1262, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1204,1205,1206,
igr2=1208,1209,
&end
#
# 78 ILE HN 78 ILE HG1- 3.50 (# 1263:20 Unique 1.95, 2.95 A)
&rst
ixpk= 1263, nxpk= 20, iat=1198, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1208,1209,
&end
#
# 78 ILE HA 78 ILE HG1- 3.50 (# 1264:20 Unique 2.55, 2.80 A)
&rst
ixpk= 1264, nxpk= 20, iat=1200, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1208,1209,
&end
#
# 0 AMB 20-2:1265 78 ILE HG1- 3.50 (# 1265:20 Single Ambig)
&rst
ixpk= 1265, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1202,1125,1126,1127,
igr2=1208,1209,
&end
#
# 78 ILE QD1 78 ILE HG1- 2.80 (# 1266:20 Unique 2.21, 2.62 A)
&rst
ixpk= 1266, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1211,1212,1213,
igr2=1208,1209,
&end
#
# 32 ARG HN 32 ARG HG- 4.50 (# 1267:20 Unique 3.05, 4.44 A)
&rst
ixpk= 1267, nxpk= 20, iat= 515, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 522, 523,
&end
#
# 32 ARG HA 32 ARG HG- 3.50 (# 1268:20 Unique 2.07, 2.98 A)
&rst
ixpk= 1268, nxpk= 20, iat= 517, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 522, 523,
&end
#
# 0 AMB 20-2:1269 32 ARG HG- 3.50 (# 1269:20 Single Ambig)
&rst
ixpk= 1269, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 379, 380, 381, 386, 387, 388,
igr2= 522, 523,
&end
#
# 61 LEU HN 61 LEU HG 3.50 (# 1270:20 Unique 2.02, 2.36 A)
&rst
ixpk= 1270, nxpk= 20, iat= 955, 962, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 61 LEU HA 61 LEU HG 3.50 (# 1272:20 Unique 2.77, 2.86 A)
&rst
ixpk= 1272, nxpk= 20, iat= 957, 962, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 61 LEU HB- 61 LEU HG 3.50 (# 1273:20 Unique 2.51, 2.80 A)
&rst
ixpk= 1273, nxpk= 20, iat= -1, 962, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 959, 960,
&end
#
# 78 ILE HN 78 ILE HG1+ 4.50 (# 1274:20 Unique 1.95, 2.95 A)
&rst
ixpk= 1274, nxpk= 20, iat=1198, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1208,1209,
&end
#
# 78 ILE HA 78 ILE HG1+ 3.50 (# 1275:20 Unique 2.55, 2.80 A)
&rst
ixpk= 1275, nxpk= 20, iat=1200, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1208,1209,
&end
#
# 78 ILE QG2 78 ILE HG1+ 3.50 (# 1276:20 Unique 2.42, 3.47 A)
&rst
ixpk= 1276, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1204,1205,1206,
igr2=1208,1209,
&end
#
# 78 ILE QD1 78 ILE HG1+ 3.50 (# 1277:20 Unique 2.21, 2.62 A)
&rst
ixpk= 1277, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1211,1212,1213,
igr2=1208,1209,
&end
#
# 0 AMB 20-2:1278 0 AMB 20-1:1278 3.50 (# 1278:20 Double Ambig)
&rst
ixpk= 1278, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1202,1125,1126,1127,
igr2=1208,1209,1208,1209,
&end
#
# 10 PRO HA 10 PRO HG- 3.50 (# 1279:20 Unique 3.85, 3.94 A)
&rst
ixpk= 1279, nxpk= 20, iat= 167, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 161, 162,
&end
#
# 8 ARG HA 8 ARG HG+ 3.50 (# 1280:20 Unique 2.03, 3.04 A)
&rst
ixpk= 1280, nxpk= 20, iat= 119, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 124, 125,
&end
#
# 0 AMB 20-2:1282 0 AMB 20-1:1282 5.50 (# 1282:20 Double Ambig)
&rst
ixpk= 1282, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 815, 839,
igr2= 820, 821, 820, 821,
&end
#
# 0 AMB 20-2:1283 0 AMB 20-1:1283 2.80 (# 1283:20 Double Ambig)
&rst
ixpk= 1283, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 823, 824, 823, 824, 525, 526,
igr2= 820, 821, 820, 821, 522, 523,
&end
#
# 0 AMB 20-2:1284 0 AMB 20-1:1284 2.80 (# 1284:20 Double Ambig)
&rst
ixpk= 1284, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 817, 818, 817, 818, 454, 455,
igr2= 820, 821, 820, 821, 522, 523,
&end
#
# 0 AMB 20-2:1285 52 ARG HG- 4.50 (# 1285:20 Single Ambig)
&rst
ixpk= 1285, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 815, 839,
igr2= 820, 821,
&end
#
# 0 AMB 20-2:1286 52 ARG HG- 3.50 (# 1286:20 Single Ambig)
&rst
ixpk= 1286, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 823, 824, 823, 824,
igr2= 820, 821,
&end
#
# 0 AMB 20-2:1287 52 ARG HG- 2.80 (# 1287:20 Single Ambig)
&rst
ixpk= 1287, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 817, 818, 817, 818,
igr2= 820, 821,
&end
#
# 0 AMB 20-2:1288 0 AMB 20-1:1288 2.80 (# 1288:20 Double Ambig)
&rst
ixpk= 1288, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 164, 165, 615, 616, 615, 616,
igr2= 161, 162, 612, 613, 612, 613,
&end
#
# 0 AMB 20-2:1289 0 AMB 20-1:1289 3.50 (# 1289:20 Double Ambig)
&rst
ixpk= 1289, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 618, 167,
igr2= 612, 613, 612, 613, 161, 162,
&end
#
# 39 ASP HN 0 AMB 20-1:1291 3.50 (# 1291:20 Single Ambig)
&rst
ixpk= 1291, nxpk= 20, iat= 622, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 612, 613, 612, 613,
&end
#
# 0 AMB 20-2:1292 0 AMB 20-1:1292 4.50 (# 1292:20 Double Ambig)
&rst
ixpk= 1292, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 570, 594,
igr2= 612, 613, 612, 613, 612, 613,
&end
#
# 0 AMB 20-2:1293 0 AMB 20-1:1293 2.80 (# 1293:20 Double Ambig)
&rst
ixpk= 1293, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 609, 610, 609, 610,
igr2= 612, 613, 612, 613,
&end
#
# 38 PRO HD- 0 AMB 20-1:1294 2.80 (# 1294:20 Single Ambig)
&rst
ixpk= 1294, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 609, 610,
igr2= 612, 613, 612, 613,
&end
#
# 26 LEU HA 26 LEU HG 4.50 (# 1296:20 Unique 2.26, 2.86 A)
&rst
ixpk= 1296, nxpk= 20, iat= 408, 413, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:1297 26 LEU HG 2.80 (# 1297:20 Single Ambig)
&rst
ixpk= 1297, nxpk= 20, iat= -1, 413, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 415, 416, 417, 419, 420, 421, 468, 469, 470, 472,
473, 474,
&end
#
# 0 AMB 20-2:1298 26 LEU HG 2.80 (# 1298:20 Single Ambig)
&rst
ixpk= 1298, nxpk= 20, iat= -1, 413, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 415, 416, 417, 419, 420, 421, 468, 469, 470, 472,
473, 474,
&end
#
# 22 ILE HB 22 ILE HG1- 3.50 (# 1299:20 Unique 2.42, 2.51 A)
&rst
ixpk= 1299, nxpk= 20, iat= 344, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 350, 351,
&end
#
# 22 ILE HN 22 ILE HG1- 3.50 (# 1300:20 Unique 1.94, 3.02 A)
&rst
ixpk= 1300, nxpk= 20, iat= 340, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 350, 351,
&end
#
# 0 AMB 20-2:1301 22 ILE HG1- 3.50 (# 1301:20 Single Ambig)
&rst
ixpk= 1301, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 386, 387, 388, 76, 77, 78,
igr2= 350, 351,
&end
#
# 24 ILE HG1- 22 ILE HG1- 4.50 (# 1302:20 Unique 4.28, 5.29 A)
&rst
ixpk= 1302, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 383, 384,
igr2= 350, 351,
&end
#
# 22 ILE HN 22 ILE HG1+ 3.50 (# 1303:20 Unique 1.94, 3.02 A)
&rst
ixpk= 1303, nxpk= 20, iat= 340, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 350, 351,
&end
#
# 22 ILE HB 22 ILE HG1+ 3.50 (# 1304:20 Unique 2.42, 2.51 A)
&rst
ixpk= 1304, nxpk= 20, iat= 344, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 350, 351,
&end
#
# 0 AMB 20-2:1305 0 AMB 20-1:1305 2.80 (# 1305:20 Double Ambig)
&rst
ixpk= 1305, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 353, 354, 355, 346, 347, 348,
igr2= 350, 351, 350, 351,
&end
#
# 24 ILE HG1- 22 ILE HG1+ 4.50 (# 1306:20 Unique 4.28, 5.29 A)
&rst
ixpk= 1306, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 383, 384,
igr2= 350, 351,
&end
#
# 0 AMB 20-2:1308 0 AMB 20-1:1308 2.80 (# 1308:20 Double Ambig)
&rst
ixpk= 1308, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.01, r4= 5.76,
igr1=1154,1155,1156,1158,1159,1160, 346, 347, 348,1265,
1266,
igr2=1152, 350, 351,
&end
#
# 75 LEU MDY 75 LEU HG 3.50 (# 1309:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1309, nxpk= 20, iat= -1,1152, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1154,1155,1156,1158,1159,1160,
&end
#
# 75 LEU HB+ 75 LEU HG 3.50 (# 1310:20 Unique 2.40, 2.76 A)
&rst
ixpk= 1310, nxpk= 20, iat= -1,1152, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1149,1150,
&end
#
# 33 ILE HA 33 ILE HG1- 3.50 (# 1311:20 Unique 2.41, 3.11 A)
&rst
ixpk= 1311, nxpk= 20, iat= 541, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 549, 550,
&end
#
# 0 AMB 20-2:1312 0 AMB 20-1:1312 2.80 (# 1312:20 Double Ambig)
&rst
ixpk= 1312, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1= 964, 965, 966, 968, 969, 970, 83, 84, 85, 552,
553, 554,
igr2= 549, 550, 350, 351,
&end
#
# 5 ILE HN 0 AMB 20-1:1313 3.50 (# 1313:20 Single Ambig)
&rst
ixpk= 1313, nxpk= 20, iat= 70, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 80, 81, 80, 81,
&end
#
# 5 ILE HA 0 AMB 20-1:1314 3.50 (# 1314:20 Single Ambig)
&rst
ixpk= 1314, nxpk= 20, iat= 72, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 80, 81, 80, 81,
&end
#
# 22 ILE HG1- 0 AMB 20-1:1315 4.50 (# 1315:20 Single Ambig)
&rst
ixpk= 1315, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 350, 351,
igr2= 80, 81, 80, 81,
&end
#
# 0 AMB 20-2:1316 0 AMB 20-1:1316 2.80 (# 1316:20 Double Ambig)
&rst
ixpk= 1316, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 76, 77, 78, 386, 387, 388,
igr2= 80, 81, 80, 81, 80, 81,
&end
#
# 0 AMB 20-2:1317 0 AMB 20-1:1317 2.80 (# 1317:20 Double Ambig)
&rst
ixpk= 1317, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 74, 344,
igr2= 80, 81, 80, 81, 80, 81,
&end
#
# 5 ILE HA 0 AMB 20-1:1318 3.50 (# 1318:20 Single Ambig)
&rst
ixpk= 1318, nxpk= 20, iat= 72, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 80, 81, 80, 81,
&end
#
# 5 ILE HN 0 AMB 20-1:1319 4.50 (# 1319:20 Single Ambig)
&rst
ixpk= 1319, nxpk= 20, iat= 70, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 80, 81, 80, 81,
&end
#
# 0 AMB 20-2:1320 0 AMB 20-1:1320 2.80 (# 1320:20 Double Ambig)
&rst
ixpk= 1320, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 74, 344,
igr2= 80, 81, 80, 81, 80, 81,
&end
#
# 33 ILE QG2 33 ILE HG1+ 3.50 (# 1321:20 Unique 2.09, 3.14 A)
&rst
ixpk= 1321, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 545, 546, 547,
igr2= 549, 550,
&end
#
# 0 AMB 20-2:1322 0 AMB 20-1:1322 2.80 (# 1322:20 Double Ambig)
&rst
ixpk= 1322, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 964, 965, 966, 968, 969, 970, 552, 553, 554,
igr2= 549, 550, 549, 550,
&end
#
# 26 LEU MDX 26 LEU HG 2.80 (# 1323:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1323, nxpk= 20, iat= -1, 413, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 415, 416, 417, 419, 420, 421,
&end
#
# 33 ILE QG2 33 ILE HG1- 2.80 (# 1324:20 Unique 2.09, 3.14 A)
&rst
ixpk= 1324, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 545, 546, 547,
igr2= 549, 550,
&end
#
# 0 AMB 20-2:1325 33 ILE HG1- 3.50 (# 1325:20 Single Ambig)
&rst
ixpk= 1325, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 596, 959, 960,
igr2= 549, 550,
&end
#
# 26 LEU HG 26 LEU MDX 3.50 (# 1326:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1326, nxpk= 20, iat= 413, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 16 GLU HB+ 75 LEU MDX 4.50 (# 1327:20 Unique 2.09, 5.84 A)
&rst
ixpk= 1327, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 262, 263,
igr2=1154,1155,1156,1158,1159,1160,
&end
#
# 75 LEU HB+ 75 LEU MDX 3.50 (# 1328:20 Unique 2.00, 3.26 A)
&rst
ixpk= 1328, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1149,1150,
igr2=1154,1155,1156,1158,1159,1160,
&end
#
# 0 AMB 20-2:1329 75 LEU MDX 3.50 (# 1329:20 Single Ambig)
&rst
ixpk= 1329, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 265, 266, 262, 263,
igr2=1154,1155,1156,1158,1159,1160,
&end
#
# 0 AMB 20-2:1330 75 LEU MDX 2.80 (# 1330:20 Single Ambig)
&rst
ixpk= 1330, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1152,1202,
igr2=1154,1155,1156,1158,1159,1160,
&end
#
# 0 AMB 20-2:1334 0 AMB 20-1:1334 3.50 (# 1334:20 Double Ambig)
&rst
ixpk= 1334, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 596, 543,
igr2= 549, 550, 549, 550,
&end
#
# 0 AMB 20-2:1335 24 ILE HG1- 2.80 (# 1335:20 Single Ambig)
&rst
ixpk= 1335, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 346, 347, 348, 468, 469, 470, 472, 473, 474,
igr2= 383, 384,
&end
#
# 24 ILE HA 24 ILE HG1- 4.50 (# 1336:20 Unique 2.66, 3.32 A)
&rst
ixpk= 1336, nxpk= 20, iat= 375, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 383, 384,
&end
#
# 24 ILE HB 24 ILE HG1- 3.50 (# 1337:20 Unique 2.42, 2.74 A)
&rst
ixpk= 1337, nxpk= 20, iat= 377, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 383, 384,
&end
#
# 0 AMB 20-2:1338 24 ILE HG1- 2.80 (# 1338:20 Single Ambig)
&rst
ixpk= 1338, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 76, 77, 78, 386, 387, 388, 379, 380, 381,
igr2= 383, 384,
&end
#
# 53 GLN HA 26 LEU MDX 4.50 (# 1339:20 Unique 2.98, 5.69 A)
&rst
ixpk= 1339, nxpk= 20, iat= 839, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 0 AMB 20-2:1340 26 LEU MDX 5.50 (# 1340:20 Single Ambig)
&rst
ixpk= 1340, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 408, 891,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 53 GLN HB+ 26 LEU MDX 4.50 (# 1341:20 Unique 2.09, 5.85 A)
&rst
ixpk= 1341, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 841, 842,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 56 GLN HB+ 26 LEU MDX 3.50 (# 1342:20 Unique 2.00, 5.25 A)
&rst
ixpk= 1342, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 876, 877,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 56 GLN HB- 26 LEU MDX 3.50 (# 1343:20 Unique 2.00, 5.25 A)
&rst
ixpk= 1343, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 876, 877,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 0 AMB 20-2:1344 26 LEU MDX 3.50 (# 1344:20 Single Ambig)
&rst
ixpk= 1344, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 410, 411, 841, 842,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 0 AMB 20-2:1345 26 LEU MDX 3.50 (# 1345:20 Single Ambig)
&rst
ixpk= 1345, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 893, 894, 895, 410, 411,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 24 ILE HA 24 ILE HG1+ 3.50 (# 1346:20 Unique 2.66, 3.32 A)
&rst
ixpk= 1346, nxpk= 20, iat= 375, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 383, 384,
&end
#
# 22 ILE HB 24 ILE HG1+ 5.50 (# 1347:20 Unique 1.99, 3.02 A)
&rst
ixpk= 1347, nxpk= 20, iat= 344, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 383, 384,
&end
#
# 24 ILE HB 24 ILE HG1+ 3.50 (# 1348:20 Unique 2.42, 2.74 A)
&rst
ixpk= 1348, nxpk= 20, iat= 377, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 383, 384,
&end
#
# 0 AMB 20-2:1349 0 AMB 20-1:1349 2.80 (# 1349:20 Double Ambig)
&rst
ixpk= 1349, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.44, r4= 6.19,
igr1= 76, 77, 78, 386, 387, 388, 379, 380, 381,
igr2= 383, 384, 383, 384, 383, 384,
&end
#
# 53 GLN HG- 26 LEU MDX 4.50 (# 1350:20 Unique 2.00, 4.85 A)
&rst
ixpk= 1350, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 844, 845,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 56 GLN HB- 26 LEU MDX 4.50 (# 1351:20 Unique 2.00, 5.25 A)
&rst
ixpk= 1351, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 876, 877,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 0 AMB 20-2:1352 26 LEU MDX 5.50 (# 1352:20 Single Ambig)
&rst
ixpk= 1352, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 410, 411, 940,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 26 LEU HG 26 LEU MDX 3.50 (# 1353:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1353, nxpk= 20, iat= 413, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 0 AMB 20-2:1354 0 AMB 20-1:1354 3.50 (# 1354:20 Double Ambig)
&rst
ixpk= 1354, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 491, 492, 491, 492,
igr2= 485, 486, 485, 486,
&end
#
# 30 LYS HA 30 LYS HG+ 4.50 (# 1356:20 Unique 2.03, 2.66 A)
&rst
ixpk= 1356, nxpk= 20, iat= 480, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 485, 486,
&end
#
# 60 ILE QG2 30 LYS HG+ 3.50 (# 1357:20 Unique 2.01, 3.16 A)
&rst
ixpk= 1357, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 942, 943, 944,
igr2= 485, 486,
&end
#
# 30 LYS HN 30 LYS HG+ 4.50 (# 1358:20 Unique 3.40, 4.12 A)
&rst
ixpk= 1358, nxpk= 20, iat= 478, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 485, 486,
&end
#
# 30 LYS HA 30 LYS HG- 4.50 (# 1359:20 Unique 2.03, 2.66 A)
&rst
ixpk= 1359, nxpk= 20, iat= 480, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 485, 486,
&end
#
# 40 LYS HN 40 LYS HG+ 3.50 (# 1362:20 Unique 2.09, 3.32 A)
&rst
ixpk= 1362, nxpk= 20, iat= 634, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 641, 642,
&end
#
# 40 LYS HA 40 LYS HG+ 4.50 (# 1363:20 Unique 2.13, 2.86 A)
&rst
ixpk= 1363, nxpk= 20, iat= 636, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 641, 642,
&end
#
# 0 AMB 20-2:1364 0 AMB 20-1:1364 3.50 (# 1364:20 Double Ambig)
&rst
ixpk= 1364, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 647, 648, 647, 648,
igr2= 641, 642, 641, 642,
&end
#
# 40 LYS HB+ 40 LYS HG+ 3.50 (# 1365:20 Unique 2.21, 2.69 A)
&rst
ixpk= 1365, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 638, 639,
igr2= 641, 642,
&end
#
# 45 LYS HE+ 45 LYS HG+ 4.50 (# 1367:20 Unique 2.01, 3.05 A)
&rst
ixpk= 1367, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 725, 726,
igr2= 719, 720,
&end
#
# 45 LYS HN 45 LYS HG- 4.50 (# 1368:20 Unique 2.46, 3.19 A)
&rst
ixpk= 1368, nxpk= 20, iat= 712, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 719, 720,
&end
#
# 45 LYS HE+ 45 LYS HG- 3.50 (# 1369:20 Unique 2.01, 3.05 A)
&rst
ixpk= 1369, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 725, 726,
igr2= 719, 720,
&end
#
# 45 LYS HA 45 LYS HG- 4.50 (# 1370:20 Unique 2.05, 3.00 A)
&rst
ixpk= 1370, nxpk= 20, iat= 714, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 719, 720,
&end
#
# 40 LYS HA 40 LYS HG- 3.50 (# 1371:20 Unique 2.13, 2.86 A)
&rst
ixpk= 1371, nxpk= 20, iat= 636, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 641, 642,
&end
#
# 0 AMB 20-2:1372 40 LYS HG- 3.50 (# 1372:20 Single Ambig)
&rst
ixpk= 1372, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 647, 648, 647, 648,
igr2= 641, 642,
&end
#
# 40 LYS HB+ 40 LYS HG- 3.50 (# 1373:20 Unique 2.21, 2.69 A)
&rst
ixpk= 1373, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 638, 639,
igr2= 641, 642,
&end
#
# 40 LYS HB- 40 LYS HG- 4.50 (# 1375:20 Unique 2.21, 2.69 A)
&rst
ixpk= 1375, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 638, 639,
igr2= 641, 642,
&end
#
# 61 LEU MDY 30 LYS HG+ 3.50 (# 1376:20 Unique 3.37, 6.42 A)
&rst
ixpk= 1376, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 964, 965, 966, 968, 969, 970,
igr2= 485, 486,
&end
#
# 27 LYS HN 0 AMB 20-1:1377 3.50 (# 1377:20 Single Ambig)
&rst
ixpk= 1377, nxpk= 20, iat= 425, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 432, 433, 432, 433,
&end
#
# 0 AMB 20-2:1378 0 AMB 20-1:1378 3.50 (# 1378:20 Double Ambig)
&rst
ixpk= 1378, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
igr1= 427, 594,
igr2= 432, 433, 432, 433, 598, 599, 600, 602, 603, 604,
&end
#
# 0 AMB 20-2:1379 0 AMB 20-1:1379 3.50 (# 1379:20 Double Ambig)
&rst
ixpk= 1379, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.72, r4= 7.47,
igr1=1265,1266, 545, 546, 547,
igr2=1303,1304,1303,1304, 598, 599, 600, 602, 603, 604,
&end
#
# 0 AMB 20-2:1380 0 AMB 20-1:1380 3.50 (# 1380:20 Double Ambig)
&rst
ixpk= 1380, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.49, r4= 8.24,
igr1= 438, 439, 438, 439, 438, 439, 674, 675,
igr2= 432, 433, 432, 433, 432, 433, 598, 599, 600, 602,
603, 604,
&end
#
# 0 AMB 20-2:1381 0 AMB 20-1:1381 2.80 (# 1381:20 Double Ambig)
&rst
ixpk= 1381, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.58, r4= 7.33,
igr1= 396, 397, 265, 266, 265, 266,1300,1301,1300,1301,
429, 430, 429, 430,
igr2= 432, 433, 432, 433,1303,1304,1303,1304,1303,1304,
432, 433,
&end
#
# 0 AMB 20-2:1382 0 AMB 20-1:1382 3.50 (# 1382:20 Double Ambig)
&rst
ixpk= 1382, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.77, r4= 8.52,
igr1= 491, 492, 491, 492,1309,1310,1309,1310,1309,1310,
1271,1272,
igr2= 485, 486,1303,1304,1303,1304,1303,1304,1265,1266,
&end
#
# 58 LYS HA 58 LYS HG+ 3.50 (# 1384:20 Unique 2.02, 2.99 A)
&rst
ixpk= 1384, nxpk= 20, iat= 901, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 906, 907,
&end
#
# 0 AMB 20-2:1385 0 AMB 20-1:1385 3.50 (# 1385:20 Double Ambig)
&rst
ixpk= 1385, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 912, 913, 912, 913,
igr2= 906, 907, 906, 907,
&end
#
# 58 LYS HB+ 58 LYS HG+ 3.50 (# 1386:20 Unique 2.21, 2.67 A)
&rst
ixpk= 1386, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 903, 904,
igr2= 906, 907,
&end
#
# 58 LYS HA 58 LYS HG- 3.50 (# 1387:20 Unique 2.02, 2.99 A)
&rst
ixpk= 1387, nxpk= 20, iat= 901, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 906, 907,
&end
#
# 69 VAL HB 58 LYS HG- 4.50 (# 1388:20 Unique 2.01, 3.56 A)
&rst
ixpk= 1388, nxpk= 20, iat=1080, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 906, 907,
&end
#
# 0 AMB 20-2:1389 58 LYS HG- 2.80 (# 1389:20 Single Ambig)
&rst
ixpk= 1389, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
igr2= 906, 907,
&end
#
# 45 LYS HA 45 LYS HG+ 3.50 (# 1391:20 Unique 2.05, 3.00 A)
&rst
ixpk= 1391, nxpk= 20, iat= 714, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 719, 720,
&end
#
# 0 AMB 20-2:1392 61 LEU MDY 3.50 (# 1392:20 Single Ambig)
&rst
ixpk= 1392, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 549, 550, 959, 960,
igr2= 964, 965, 966, 968, 969, 970,
&end
#
# 0 AMB 20-2:1393 61 LEU MDY 2.80 (# 1393:20 Single Ambig)
&rst
ixpk= 1393, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.41, r4= 7.16,
igr1= 702, 703, 704, 706, 707, 708, 740, 741, 742, 744,
745, 746,1082,1083,1084,1086,1087,1088,1082,1083,
1084,1086,1087,1088,
igr2= 964, 965, 966, 968, 969, 970,
&end
#
# 0 AMB 20-2:1394 61 LEU MDY 4.50 (# 1394:20 Single Ambig)
&rst
ixpk= 1394, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 955, 539,
igr2= 964, 965, 966, 968, 969, 970,
&end
#
# 61 LEU HA 61 LEU MDY 4.50 (# 1395:20 Unique 2.46, 3.98 A)
&rst
ixpk= 1395, nxpk= 20, iat= 957, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 964, 965, 966, 968, 969, 970,
&end
#
# 0 AMB 20-2:1396 61 LEU MDY 4.50 (# 1396:20 Single Ambig)
&rst
ixpk= 1396, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 480, 901,
igr2= 964, 965, 966, 968, 969, 970,
&end
#
# 0 AMB 20-2:1397 61 LEU MDY 3.50 (# 1397:20 Single Ambig)
&rst
ixpk= 1397, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 959, 960, 543, 700,
igr2= 964, 965, 966, 968, 969, 970,
&end
#
# 61 LEU HG 61 LEU MDY 3.50 (# 1398:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1398, nxpk= 20, iat= 962, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 964, 965, 966, 968, 969, 970,
&end
#
# 0 AMB 20-2:1399 0 AMB 20-1:1399 3.50 (# 1399:20 Double Ambig)
&rst
ixpk= 1399, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1= 893, 894, 895,1125,1126,1127,
igr2= 964, 965, 966, 968, 969, 970, 719, 720,
&end
#
# 0 AMB 20-2:1400 0 AMB 20-1:1400 3.50 (# 1400:20 Double Ambig)
&rst
ixpk= 1400, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,
igr1= 262, 263, 262, 263, 451, 452, 451, 452,
igr2=1303,1304,1303,1304, 432, 433, 432, 433,
&end
#
# 0 AMB 20-2:1401 0 AMB 20-1:1401 2.80 (# 1401:20 Double Ambig)
&rst
ixpk= 1401, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.58, r4= 7.33,
igr1=1300,1301, 435, 436, 435, 436, 435, 436,1306,1307,
1306,1307,
igr2=1303,1304,1303,1304, 432, 433, 432, 433, 432, 433,
1303,1304,1303,1304,
&end
#
# 0 AMB 20-2:1402 0 AMB 20-1:1402 3.50 (# 1402:20 Double Ambig)
&rst
ixpk= 1402, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
igr1=1296, 622,
igr2=1303,1304,1303,1304, 598, 599, 600, 602, 603, 604,
&end
#
# 16 GLU HA 0 AMB 20-1:1403 5.50 (# 1403:20 Single Ambig)
&rst
ixpk= 1403, nxpk= 20, iat= 260, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1303,1304,1303,1304,
&end
#
# 84 LYS HA 0 AMB 20-1:1404 3.50 (# 1404:20 Single Ambig)
&rst
ixpk= 1404, nxpk= 20, iat=1298, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2=1303,1304,1303,1304,
&end
#
# 58 LYS HB+ 58 LYS HG- 3.50 (# 1406:20 Unique 2.21, 2.67 A)
&rst
ixpk= 1406, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 903, 904,
igr2= 906, 907,
&end
#
# 58 LYS HD+ 58 LYS HG- 3.50 (# 1407:20 Unique 2.23, 2.67 A)
&rst
ixpk= 1407, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 909, 910,
igr2= 906, 907,
&end
#
# 0 AMB 20-2:1408 58 LYS HG- 2.80 (# 1408:20 Single Ambig)
&rst
ixpk= 1408, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 903, 904, 909, 910,
igr2= 906, 907,
&end
#
# 0 AMB 20-2:1409 58 LYS HG- 3.50 (# 1409:20 Single Ambig)
&rst
ixpk= 1409, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 912, 913, 912, 913,
igr2= 906, 907,
&end
#
# 0 AMB 20-2:1411 61 LEU MDX 4.50 (# 1411:20 Single Ambig)
&rst
ixpk= 1411, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 955, 539,
igr2= 964, 965, 966, 968, 969, 970,
&end
#
# 61 LEU HA 61 LEU MDX 3.50 (# 1412:20 Unique 2.46, 3.98 A)
&rst
ixpk= 1412, nxpk= 20, iat= 957, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 964, 965, 966, 968, 969, 970,
&end
#
# 64 MET ME 61 LEU MDX 5.50 (# 1413:20 Unique 2.00, 5.31 A)
&rst
ixpk= 1413, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1011,1012,1013,
igr2= 964, 965, 966, 968, 969, 970,
&end
#
# 0 AMB 20-2:1414 61 LEU MDX 3.50 (# 1414:20 Single Ambig)
&rst
ixpk= 1414, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 959, 960, 543,
igr2= 964, 965, 966, 968, 969, 970,
&end
#
# 61 LEU HG 61 LEU MDX 3.50 (# 1415:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1415, nxpk= 20, iat= 962, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 964, 965, 966, 968, 969, 970,
&end
#
# 0 AMB 20-2:1416 61 LEU MDX 3.50 (# 1416:20 Single Ambig)
&rst
ixpk= 1416, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 549, 550, 959, 960,
igr2= 964, 965, 966, 968, 969, 970,
&end
#
# 33 ILE QG2 61 LEU MDX 2.80 (# 1417:20 Unique 2.00, 4.74 A)
&rst
ixpk= 1417, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 545, 546, 547,
igr2= 964, 965, 966, 968, 969, 970,
&end
#
# 0 AMB 20-2:1418 61 LEU MDX 2.80 (# 1418:20 Single Ambig)
&rst
ixpk= 1418, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
igr1= 468, 469, 470, 472, 473, 474, 107, 108, 109, 111,
112, 113,
igr2= 964, 965, 966, 968, 969, 970,
&end
#
# 0 AMB 20-2:1419 61 LEU MDX 2.80 (# 1419:20 Single Ambig)
&rst
ixpk= 1419, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1= 549, 550, 740, 741, 742, 744, 745, 746,
igr2= 964, 965, 966, 968, 969, 970,
&end
#
# 0 AMB 20-2:1420 0 AMB 20-1:1420 3.50 (# 1420:20 Double Ambig)
&rst
ixpk= 1420, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 478, 539,1280,
igr2= 468, 469, 470, 472, 473, 474,1265,1266,
&end
#
# 29 VAL HN 29 VAL MGY 3.50 (# 1421:20 Unique 2.00, 3.93 A)
&rst
ixpk= 1421, nxpk= 20, iat= 462, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 26 LEU HA 29 VAL MGY 2.80 (# 1422:20 Unique 2.00, 3.72 A)
&rst
ixpk= 1422, nxpk= 20, iat= 408, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 29 VAL HA 29 VAL MGY 3.50 (# 1423:20 Unique 2.03, 3.30 A)
&rst
ixpk= 1423, nxpk= 20, iat= 464, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 29 VAL HB 29 VAL MGY 2.80 (# 1424:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1424, nxpk= 20, iat= 466, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 0 AMB 20-2:1425 29 VAL MGY 3.50 (# 1425:20 Single Ambig)
&rst
ixpk= 1425, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 543, 519, 520, 482, 483,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 0 AMB 20-2:1426 29 VAL MGY 2.80 (# 1426:20 Single Ambig)
&rst
ixpk= 1426, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.44, r4= 6.19,
igr1= 76, 77, 78, 386, 387, 388, 379, 380, 381,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 7 VAL HB 29 VAL MGY 4.50 (# 1427:20 Unique 2.70, 5.03 A)
&rst
ixpk= 1427, nxpk= 20, iat= 105, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 47 TYR HE 75 LEU MDY 3.50 (# 1428:20 Unique 2.00, 5.46 A)
&rst
ixpk= 1428, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 760, 765,
igr2=1154,1155,1156,1158,1159,1160,
&end
#
# 17 HIS HA 75 LEU MDY 3.50 (# 1429:20 Unique 2.38, 4.24 A)
&rst
ixpk= 1429, nxpk= 20, iat= 275, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1154,1155,1156,1158,1159,1160,
&end
#
# 75 LEU HA 75 LEU MDY 3.50 (# 1430:20 Unique 2.00, 3.88 A)
&rst
ixpk= 1430, nxpk= 20, iat=1147, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1154,1155,1156,1158,1159,1160,
&end
#
# 82 LYS HE+ 75 LEU MDY 4.50 (# 1431:20 Unique 2.00, 4.62 A)
&rst
ixpk= 1431, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1271,1272,
igr2=1154,1155,1156,1158,1159,1160,
&end
#
# 82 LYS HE- 75 LEU MDY 3.50 (# 1432:20 Unique 2.00, 4.62 A)
&rst
ixpk= 1432, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1271,1272,
igr2=1154,1155,1156,1158,1159,1160,
&end
#
# 75 LEU HB+ 75 LEU MDY 4.50 (# 1433:20 Unique 2.00, 3.26 A)
&rst
ixpk= 1433, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1149,1150,
igr2=1154,1155,1156,1158,1159,1160,
&end
#
# 0 AMB 20-2:1434 75 LEU MDY 4.50 (# 1434:20 Single Ambig)
&rst
ixpk= 1434, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 265, 266, 262, 263,
igr2=1154,1155,1156,1158,1159,1160,
&end
#
# 0 AMB 20-2:1435 75 LEU MDY 2.80 (# 1435:20 Single Ambig)
&rst
ixpk= 1435, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1152,1202,
igr2=1154,1155,1156,1158,1159,1160,
&end
#
# 18 VAL MGY 75 LEU MDY 3.50 (# 1436:20 Unique 2.11, 6.27 A)
&rst
ixpk= 1436, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 296, 297, 298, 300, 301, 302,
igr2=1154,1155,1156,1158,1159,1160,
&end
#
# 0 AMB 20-2:1437 0 AMB 20-1:1437 2.80 (# 1437:20 Double Ambig)
&rst
ixpk= 1437, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1168,1169,1168,1169,1168,1169,
igr2=1171,1172,1171,1172,1171,1172,
&end
#
# 76 LYS HN 0 AMB 20-1:1438 4.50 (# 1438:20 Single Ambig)
&rst
ixpk= 1438, nxpk= 20, iat=1164, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2=1171,1172,1171,1172,
&end
#
# 77 ASP HN 0 AMB 20-1:1439 4.50 (# 1439:20 Single Ambig)
&rst
ixpk= 1439, nxpk= 20, iat=1186, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2=1171,1172,1171,1172,
&end
#
# 0 AMB 20-2:1440 0 AMB 20-1:1440 3.50 (# 1440:20 Double Ambig)
&rst
ixpk= 1440, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1177,1178,1177,1178,1177,1178,
igr2=1171,1172,1171,1172,1171,1172,
&end
#
# 57 ALA HN 26 LEU MDY 3.50 (# 1441:20 Unique 2.32, 4.71 A)
&rst
ixpk= 1441, nxpk= 20, iat= 889, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 0 AMB 20-2:1442 26 LEU MDY 2.80 (# 1442:20 Single Ambig)
&rst
ixpk= 1442, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 408, 891,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 56 GLN HB+ 26 LEU MDY 3.50 (# 1443:20 Unique 2.00, 5.25 A)
&rst
ixpk= 1443, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 876, 877,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 56 GLN HB- 26 LEU MDY 3.50 (# 1444:20 Unique 2.00, 5.25 A)
&rst
ixpk= 1444, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 876, 877,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 26 LEU HG 26 LEU MDY 2.80 (# 1445:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1445, nxpk= 20, iat= 413, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 0 AMB 20-2:1446 26 LEU MDY 2.80 (# 1446:20 Single Ambig)
&rst
ixpk= 1446, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1= 893, 894, 895, 410, 411,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 68 HIS HN 69 VAL MGY 4.50 (# 1449:20 Unique 2.68, 4.80 A)
&rst
ixpk= 1449, nxpk= 20, iat=1059, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 69 VAL HN 69 VAL MGY 3.50 (# 1450:20 Unique 1.94, 3.63 A)
&rst
ixpk= 1450, nxpk= 20, iat=1076, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 62 SER HA 69 VAL MGY 4.50 (# 1452:20 Unique 2.00, 4.26 A)
&rst
ixpk= 1452, nxpk= 20, iat= 976, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 0 AMB 20-2:1453 69 VAL MGY 4.50 (# 1453:20 Single Ambig)
&rst
ixpk= 1453, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 978, 979, 978, 979,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 66 TYR HB+ 69 VAL MGY 3.50 (# 1454:20 Unique 2.01, 4.61 A)
&rst
ixpk= 1454, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1028,1029,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 66 TYR HB- 69 VAL MGY 3.50 (# 1455:20 Unique 2.01, 4.61 A)
&rst
ixpk= 1455, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1028,1029,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 46 VAL HN 46 VAL MGY 3.50 (# 1456:20 Unique 1.95, 3.32 A)
&rst
ixpk= 1456, nxpk= 20, iat= 734, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 46 VAL HA 46 VAL MGY 3.50 (# 1457:20 Unique 2.20, 3.45 A)
&rst
ixpk= 1457, nxpk= 20, iat= 736, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 0 AMB 20-2:1458 46 VAL MGY 4.50 (# 1458:20 Single Ambig)
&rst
ixpk= 1458, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 858, 859, 856,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 0 AMB 20-2:1459 46 VAL MGY 2.80 (# 1459:20 Single Ambig)
&rst
ixpk= 1459, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 74, 738,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 57 ALA MB 46 VAL MGY 3.50 (# 1460:20 Unique 2.09, 4.60 A)
&rst
ixpk= 1460, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 893, 894, 895,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 61 LEU MDY 46 VAL MGY 2.80 (# 1461:20 Unique 2.38, 6.17 A)
&rst
ixpk= 1461, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 964, 965, 966, 968, 969, 970,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 18 VAL HN 18 VAL MGY 3.50 (# 1462:20 Unique 1.95, 3.81 A)
&rst
ixpk= 1462, nxpk= 20, iat= 290, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 18 VAL HA 18 VAL MGY 3.50 (# 1464:20 Unique 2.28, 3.11 A)
&rst
ixpk= 1464, nxpk= 20, iat= 292, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 82 LYS HE- 18 VAL MGY 4.50 (# 1465:20 Unique 2.69, 5.77 A)
&rst
ixpk= 1465, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1271,1272,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 21 ALA MB 18 VAL MGY 3.50 (# 1466:20 Unique 2.63, 5.67 A)
&rst
ixpk= 1466, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 334, 335, 336,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 18 VAL HB 18 VAL MGY 2.80 (# 1467:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1467, nxpk= 20, iat= 294, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 0 AMB 20-2:1468 18 VAL MGY 3.50 (# 1468:20 Single Ambig)
&rst
ixpk= 1468, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1265,1266,1231,1232,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 75 LEU MDY 18 VAL MGY 2.80 (# 1469:20 Unique 2.11, 6.27 A)
&rst
ixpk= 1469, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1154,1155,1156,1158,1159,1160,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 78 ILE QD1 18 VAL MGY 3.50 (# 1470:20 Unique 2.02, 5.43 A)
&rst
ixpk= 1470, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1211,1212,1213,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 70 GLU HN 69 VAL MGY 4.50 (# 1471:20 Unique 2.15, 4.36 A)
&rst
ixpk= 1471, nxpk= 20, iat=1092, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 62 SER HN 69 VAL MGY 4.50 (# 1472:20 Unique 1.95, 4.76 A)
&rst
ixpk= 1472, nxpk= 20, iat= 974, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 69 VAL HA 69 VAL MGY 3.50 (# 1473:20 Unique 2.14, 3.27 A)
&rst
ixpk= 1473, nxpk= 20, iat=1078, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 0 AMB 20-2:1474 69 VAL MGY 2.80 (# 1474:20 Single Ambig)
&rst
ixpk= 1474, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 700,1080,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 61 LEU HB- 69 VAL MGY 2.80 (# 1475:20 Unique 2.00, 4.60 A)
&rst
ixpk= 1475, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 959, 960,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 61 LEU MDY 69 VAL MGY 3.50 (# 1477:20 Unique 2.81, 6.65 A)
&rst
ixpk= 1477, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 964, 965, 966, 968, 969, 970,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 0 AMB 20-2:1478 46 VAL MGY 3.50 (# 1478:20 Single Ambig)
&rst
ixpk= 1478, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 700,1096,1097,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 73 GLY HN 46 VAL MGY 4.50 (# 1481:20 Unique 3.15, 6.38 A)
&rst
ixpk= 1481, nxpk= 20, iat=1131, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 45 LYS HN 44 VAL MGX 3.50 (# 1488:20 Unique 2.61, 4.68 A)
&rst
ixpk= 1488, nxpk= 20, iat= 712, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 44 VAL HN 44 VAL MGX 5.50 (# 1489:20 Unique 1.96, 3.92 A)
&rst
ixpk= 1489, nxpk= 20, iat= 696, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 44 VAL HA 44 VAL MGX 3.50 (# 1490:20 Unique 2.08, 3.12 A)
&rst
ixpk= 1490, nxpk= 20, iat= 698, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 0 AMB 20-2:1491 44 VAL MGX 4.50 (# 1491:20 Single Ambig)
&rst
ixpk= 1491, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 33, 34, 674, 675,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 0 AMB 20-2:1492 44 VAL MGX 2.80 (# 1492:20 Single Ambig)
&rst
ixpk= 1492, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 700, 596,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 33 ILE HG1- 44 VAL MGX 4.50 (# 1493:20 Unique 2.23, 4.64 A)
&rst
ixpk= 1493, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 549, 550,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 0 AMB 20-2:1494 44 VAL MGX 2.80 (# 1494:20 Single Ambig)
&rst
ixpk= 1494, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 80, 81, 80, 81,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 0 AMB 20-2:1496 44 VAL MGX 2.80 (# 1496:20 Single Ambig)
&rst
ixpk= 1496, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 552, 553, 554, 83, 84, 85,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 37 VAL MGX 44 VAL MGX 4.50 (# 1497:20 Unique 2.30, 5.59 A)
&rst
ixpk= 1497, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 598, 599, 600, 602, 603, 604,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 53 GLN HE2+ 9 VAL MGY 4.50 (# 1498:20 Unique 1.96, 4.78 A)
&rst
ixpk= 1498, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 849, 850,
igr2= 147, 148, 149, 151, 152, 153,
&end
#
# 9 VAL HN 9 VAL MGY 3.50 (# 1499:20 Unique 1.95, 3.03 A)
&rst
ixpk= 1499, nxpk= 20, iat= 141, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 147, 148, 149, 151, 152, 153,
&end
#
# 9 VAL HA 9 VAL MGY 3.50 (# 1500:20 Unique 2.13, 3.43 A)
&rst
ixpk= 1500, nxpk= 20, iat= 143, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 147, 148, 149, 151, 152, 153,
&end
#
# 0 AMB 20-2:1501 9 VAL MGY 3.50 (# 1501:20 Single Ambig)
&rst
ixpk= 1501, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 158, 159, 158, 159,
igr2= 147, 148, 149, 151, 152, 153,
&end
#
# 9 VAL HB 9 VAL MGY 2.80 (# 1502:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1502, nxpk= 20, iat= 145, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 147, 148, 149, 151, 152, 153,
&end
#
# 67 THR HN 67 THR MG2 3.50 (# 1503:20 Unique 2.27, 3.43 A)
&rst
ixpk= 1503, nxpk= 20, iat=1045, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1051,1052,1053,
&end
#
# 66 TYR HA 67 THR MG2 5.50 (# 1505:20 Unique 3.31, 4.53 A)
&rst
ixpk= 1505, nxpk= 20, iat=1026, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1051,1052,1053,
&end
#
# 0 AMB 20-2:1506 67 THR MG2 2.80 (# 1506:20 Single Ambig)
&rst
ixpk= 1506, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1049,1047,
igr2=1051,1052,1053,
&end
#
# 70 GLU HN 0 AMB 20-1:1507 3.50 (# 1507:20 Single Ambig)
&rst
ixpk= 1507, nxpk= 20, iat=1092, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr2=1082,1083,1084,1086,1087,1088, 702, 703, 704, 706,
707, 708,
&end
#
# 69 VAL HN 69 VAL MGX 4.50 (# 1508:20 Unique 1.94, 3.63 A)
&rst
ixpk= 1508, nxpk= 20, iat=1076, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 69 VAL HA 0 AMB 20-1:1509 3.50 (# 1509:20 Single Ambig)
&rst
ixpk= 1509, nxpk= 20, iat=1078, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr2= 702, 703, 704, 706, 707, 708,1082,1083,1084,1086,
1087,1088,
&end
#
# 58 LYS HA 69 VAL MGX 3.50 (# 1510:20 Unique 1.99, 4.18 A)
&rst
ixpk= 1510, nxpk= 20, iat= 901, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 66 TYR HB+ 69 VAL MGX 4.50 (# 1511:20 Unique 2.01, 4.61 A)
&rst
ixpk= 1511, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1028,1029,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 0 AMB 20-2:1512 29 VAL MGX 3.50 (# 1512:20 Single Ambig)
&rst
ixpk= 1512, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 549, 550, 959, 960,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 22 ILE HN 21 ALA MB 3.50 (# 1515:20 Unique 1.96, 3.10 A)
&rst
ixpk= 1515, nxpk= 20, iat= 340, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 334, 335, 336,
&end
#
# 6 ASP HN 21 ALA MB 5.50 (# 1516:20 Unique 2.77, 4.29 A)
&rst
ixpk= 1516, nxpk= 20, iat= 89, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 334, 335, 336,
&end
#
# 21 ALA HN 21 ALA MB 3.50 (# 1517:20 Unique 2.07, 3.29 A)
&rst
ixpk= 1517, nxpk= 20, iat= 330, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 334, 335, 336,
&end
#
# 18 VAL HN 21 ALA MB 4.50 (# 1518:20 Unique 3.22, 4.68 A)
&rst
ixpk= 1518, nxpk= 20, iat= 290, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 334, 335, 336,
&end
#
# 17 HIS HD2 21 ALA MB 4.50 (# 1519:20 Unique 2.61, 4.89 A)
&rst
ixpk= 1519, nxpk= 20, iat= 286, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 334, 335, 336,
&end
#
# 21 ALA HA 21 ALA MB 2.80 (# 1520:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1520, nxpk= 20, iat= 332, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 334, 335, 336,
&end
#
# 4 TRP HB+ 21 ALA MB 2.80 (# 1522:20 Unique 2.00, 3.76 A)
&rst
ixpk= 1522, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 50, 51,
igr2= 334, 335, 336,
&end
#
# 6 ASP HB+ 21 ALA MB 4.50 (# 1523:20 Unique 2.65, 4.69 A)
&rst
ixpk= 1523, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 93, 94,
igr2= 334, 335, 336,
&end
#
# 6 ASP HB- 21 ALA MB 3.50 (# 1524:20 Unique 2.65, 4.69 A)
&rst
ixpk= 1524, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 93, 94,
igr2= 334, 335, 336,
&end
#
# 0 AMB 20-2:1525 21 ALA MB 3.50 (# 1525:20 Single Ambig)
&rst
ixpk= 1525, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 296, 297, 298, 300, 301, 302, 296, 297, 298, 300,
301, 302,
igr2= 334, 335, 336,
&end
#
# 47 TYR HE 21 ALA MB 3.50 (# 1526:20 Unique 2.39, 5.00 A)
&rst
ixpk= 1526, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 760, 765,
igr2= 334, 335, 336,
&end
#
# 12 GLN HE2+ 9 VAL MGY 3.50 (# 1527:20 Unique 1.97, 5.24 A)
&rst
ixpk= 1527, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 198, 199,
igr2= 147, 148, 149, 151, 152, 153,
&end
#
# 35 THR HA 35 THR MG2 2.80 (# 1528:20 Unique 2.11, 2.92 A)
&rst
ixpk= 1528, nxpk= 20, iat= 570, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 574, 575, 576,
&end
#
# 45 LYS HN 44 VAL MGY 4.50 (# 1529:20 Unique 2.61, 4.68 A)
&rst
ixpk= 1529, nxpk= 20, iat= 712, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 0 AMB 20-2:1530 0 AMB 20-1:1530 3.50 (# 1530:20 Double Ambig)
&rst
ixpk= 1530, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 974, 696,
igr2=1082,1083,1084,1086,1087,1088, 702, 703, 704, 706,
707, 708,
&end
#
# 0 AMB 20-2:1531 0 AMB 20-1:1531 4.50 (# 1531:20 Double Ambig)
&rst
ixpk= 1531, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 734, 29,
igr2= 702, 703, 704, 706, 707, 708,1082,1083,1084,1086,
1087,1088,
&end
#
# 44 VAL HA 44 VAL MGY 3.50 (# 1534:20 Unique 2.08, 3.12 A)
&rst
ixpk= 1534, nxpk= 20, iat= 698, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 0 AMB 20-2:1535 69 VAL MGX 5.50 (# 1535:20 Single Ambig)
&rst
ixpk= 1535, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 978, 979, 978, 979,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 58 LYS HE- 69 VAL MGX 3.50 (# 1536:20 Unique 2.01, 5.66 A)
&rst
ixpk= 1536, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 912, 913,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 3 HIS HB+ 44 VAL MGY 4.50 (# 1537:20 Unique 2.69, 5.97 A)
&rst
ixpk= 1537, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 33, 34,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 0 AMB 20-2:1538 44 VAL MGY 3.50 (# 1538:20 Single Ambig)
&rst
ixpk= 1538, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 33, 34, 674, 675,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 66 TYR HB- 69 VAL MGX 4.50 (# 1539:20 Unique 2.01, 4.61 A)
&rst
ixpk= 1539, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1028,1029,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 58 LYS HB+ 69 VAL MGX 4.50 (# 1540:20 Unique 3.01, 5.95 A)
&rst
ixpk= 1540, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 903, 904,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 0 AMB 20-2:1541 0 AMB 20-1:1541 2.80 (# 1541:20 Double Ambig)
&rst
ixpk= 1541, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 700,1080,
igr2=1082,1083,1084,1086,1087,1088, 702, 703, 704, 706,
707, 708,
&end
#
# 58 LYS HD- 69 VAL MGX 2.80 (# 1542:20 Unique 2.00, 4.97 A)
&rst
ixpk= 1542, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 909, 910,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 0 AMB 20-2:1543 0 AMB 20-1:1543 2.80 (# 1543:20 Double Ambig)
&rst
ixpk= 1543, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
igr1= 906, 907, 959, 960, 549, 550,
igr2=1082,1083,1084,1086,1087,1088, 702, 703, 704, 706,
707, 708,
&end
#
# 0 AMB 20-2:1544 44 VAL MGY 2.80 (# 1544:20 Single Ambig)
&rst
ixpk= 1544, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.44, r4= 6.19,
igr1= 552, 553, 554, 964, 965, 966, 968, 969, 970,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 37 VAL MGX 44 VAL MGY 3.50 (# 1545:20 Unique 2.30, 5.59 A)
&rst
ixpk= 1545, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 598, 599, 600, 602, 603, 604,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 24 ILE HG1- 29 VAL MGX 3.50 (# 1546:20 Unique 2.10, 5.88 A)
&rst
ixpk= 1546, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 383, 384,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 0 AMB 20-2:1547 29 VAL MGX 3.50 (# 1547:20 Single Ambig)
&rst
ixpk= 1547, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 478, 539,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 29 VAL HN 29 VAL MGX 4.50 (# 1548:20 Unique 2.00, 3.93 A)
&rst
ixpk= 1548, nxpk= 20, iat= 462, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 26 LEU HA 29 VAL MGX 3.50 (# 1549:20 Unique 2.00, 3.72 A)
&rst
ixpk= 1549, nxpk= 20, iat= 408, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 29 VAL HA 29 VAL MGX 3.50 (# 1550:20 Unique 2.03, 3.30 A)
&rst
ixpk= 1550, nxpk= 20, iat= 464, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 29 VAL HB 29 VAL MGX 3.50 (# 1551:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1551, nxpk= 20, iat= 466, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 0 AMB 20-2:1552 29 VAL MGX 2.80 (# 1552:20 Single Ambig)
&rst
ixpk= 1552, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 543, 519, 520,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 0 AMB 20-2:1553 29 VAL MGX 3.50 (# 1553:20 Single Ambig)
&rst
ixpk= 1553, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 962, 413, 519, 520,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 57 ALA MB 29 VAL MGX 3.50 (# 1554:20 Unique 2.70, 6.11 A)
&rst
ixpk= 1554, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 893, 894, 895,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 0 AMB 20-2:1555 29 VAL MGX 2.80 (# 1555:20 Single Ambig)
&rst
ixpk= 1555, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1= 964, 965, 966, 968, 969, 970, 964, 965, 966, 968,
969, 970, 552, 553, 554,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 44 VAL HN 43 THR MG2 3.50 (# 1556:20 Unique 1.96, 3.41 A)
&rst
ixpk= 1556, nxpk= 20, iat= 696, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 688, 689, 690,
&end
#
# 43 THR HN 43 THR MG2 4.50 (# 1557:20 Unique 4.39, 4.58 A)
&rst
ixpk= 1557, nxpk= 20, iat= 682, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 688, 689, 690,
&end
#
# 0 AMB 20-2:1558 43 THR MG2 4.50 (# 1558:20 Single Ambig)
&rst
ixpk= 1558, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1078, 16,
igr2= 688, 689, 690,
&end
#
# 43 THR HB 43 THR MG2 3.50 (# 1560:20 Unique 2.23, 2.64 A)
&rst
ixpk= 1560, nxpk= 20, iat= 686, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 688, 689, 690,
&end
#
# 68 HIS HB+ 43 THR MG2 4.50 (# 1561:20 Unique 3.59, 5.47 A)
&rst
ixpk= 1561, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1063,1064,
igr2= 688, 689, 690,
&end
#
# 45 LYS HE+ 43 THR MG2 3.50 (# 1562:20 Unique 2.16, 4.28 A)
&rst
ixpk= 1562, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 725, 726,
igr2= 688, 689, 690,
&end
#
# 0 AMB 20-2:1563 43 THR MG2 3.50 (# 1563:20 Single Ambig)
&rst
ixpk= 1563, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1099,1100,1099,1100,
igr2= 688, 689, 690,
&end
#
# 0 AMB 20-2:1564 43 THR MG2 3.50 (# 1564:20 Single Ambig)
&rst
ixpk= 1564, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 21, 22, 21, 22,
igr2= 688, 689, 690,
&end
#
# 0 AMB 20-2:1565 43 THR MG2 3.50 (# 1565:20 Single Ambig)
&rst
ixpk= 1565, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 18, 19, 18, 19,
igr2= 688, 689, 690,
&end
#
# 45 LYS HG+ 43 THR MG2 3.50 (# 1566:20 Unique 2.11, 4.59 A)
&rst
ixpk= 1566, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 719, 720,
igr2= 688, 689, 690,
&end
#
# 45 LYS HG- 43 THR MG2 3.50 (# 1567:20 Unique 2.11, 4.59 A)
&rst
ixpk= 1567, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 719, 720,
igr2= 688, 689, 690,
&end
#
# 0 AMB 20-2:1568 83 VAL MGY 4.50 (# 1568:20 Single Ambig)
&rst
ixpk= 1568, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1280, 283,
igr2=1286,1287,1288,1290,1291,1292,
&end
#
# 7 VAL HA 7 VAL MGY 3.50 (# 1570:20 Unique 2.43, 3.52 A)
&rst
ixpk= 1570, nxpk= 20, iat= 103, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 53 GLN HG- 7 VAL MGY 3.50 (# 1571:20 Unique 2.48, 6.18 A)
&rst
ixpk= 1571, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 844, 845,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 0 AMB 20-2:1572 7 VAL MGY 3.50 (# 1572:20 Single Ambig)
&rst
ixpk= 1572, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 738, 410, 411,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 57 ALA MB 7 VAL MGY 3.50 (# 1573:20 Unique 2.10, 4.28 A)
&rst
ixpk= 1573, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 893, 894, 895,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 7 VAL HN 7 VAL MGY 4.50 (# 1574:20 Unique 1.96, 3.03 A)
&rst
ixpk= 1574, nxpk= 20, iat= 101, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 0 AMB 20-2:1575 83 VAL MGY 4.50 (# 1575:20 Single Ambig)
&rst
ixpk= 1575, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1296, 273,
igr2=1286,1287,1288,1290,1291,1292,
&end
#
# 83 VAL HA 83 VAL MGY 3.50 (# 1576:20 Unique 2.27, 3.20 A)
&rst
ixpk= 1576, nxpk= 20, iat=1282, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1286,1287,1288,1290,1291,1292,
&end
#
# 19 GLN HG- 83 VAL MGY 4.50 (# 1577:20 Unique 2.00, 5.18 A)
&rst
ixpk= 1577, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 313, 314,
igr2=1286,1287,1288,1290,1291,1292,
&end
#
# 83 VAL HB 83 VAL MGY 3.50 (# 1578:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1578, nxpk= 20, iat=1284, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1286,1287,1288,1290,1291,1292,
&end
#
# 19 GLN HB- 83 VAL MGY 3.50 (# 1579:20 Unique 2.06, 5.55 A)
&rst
ixpk= 1579, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 310, 311,
igr2=1286,1287,1288,1290,1291,1292,
&end
#
# 37 VAL HN 36 ALA MB 3.50 (# 1580:20 Unique 2.16, 3.42 A)
&rst
ixpk= 1580, nxpk= 20, iat= 592, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 586, 587, 588,
&end
#
# 36 ALA HN 36 ALA MB 2.80 (# 1581:20 Unique 2.11, 2.92 A)
&rst
ixpk= 1581, nxpk= 20, iat= 582, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 586, 587, 588,
&end
#
# 36 ALA HA 36 ALA MB 2.80 (# 1582:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1582, nxpk= 20, iat= 584, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 586, 587, 588,
&end
#
# 33 ILE HA 36 ALA MB 3.50 (# 1583:20 Unique 2.13, 3.29 A)
&rst
ixpk= 1583, nxpk= 20, iat= 541, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 586, 587, 588,
&end
#
# 0 AMB 20-2:1584 36 ALA MB 3.50 (# 1584:20 Single Ambig)
&rst
ixpk= 1584, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
igr1= 522, 523, 519, 520, 596,
igr2= 586, 587, 588,
&end
#
# 0 AMB 20-2:1585 36 ALA MB 3.50 (# 1585:20 Single Ambig)
&rst
ixpk= 1585, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 346, 347, 348, 353, 354, 355,
igr2= 586, 587, 588,
&end
#
# 37 VAL MGX 36 ALA MB 3.50 (# 1586:20 Unique 2.21, 5.54 A)
&rst
ixpk= 1586, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 598, 599, 600, 602, 603, 604,
igr2= 586, 587, 588,
&end
#
# 61 LEU MDY 46 VAL MGX 4.50 (# 1587:20 Unique 2.38, 6.17 A)
&rst
ixpk= 1587, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 964, 965, 966, 968, 969, 970,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 72 ALA HN 46 VAL MGX 4.50 (# 1588:20 Unique 2.04, 4.87 A)
&rst
ixpk= 1588, nxpk= 20, iat=1121, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 46 VAL HN 46 VAL MGX 3.50 (# 1589:20 Unique 1.95, 3.32 A)
&rst
ixpk= 1589, nxpk= 20, iat= 734, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 46 VAL HA 46 VAL MGX 4.50 (# 1590:20 Unique 2.20, 3.45 A)
&rst
ixpk= 1590, nxpk= 20, iat= 736, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 71 ASN HA 46 VAL MGX 3.50 (# 1591:20 Unique 2.09, 4.38 A)
&rst
ixpk= 1591, nxpk= 20, iat=1109, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 0 AMB 20-2:1592 46 VAL MGX 3.50 (# 1592:20 Single Ambig)
&rst
ixpk= 1592, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 858, 859, 856,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 54 SER HB- 46 VAL MGX 4.50 (# 1593:20 Unique 2.00, 5.15 A)
&rst
ixpk= 1593, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 858, 859,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 58 LYS HB+ 46 VAL MGX 4.50 (# 1594:20 Unique 2.96, 5.95 A)
&rst
ixpk= 1594, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 903, 904,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 0 AMB 20-2:1595 46 VAL MGX 2.80 (# 1595:20 Single Ambig)
&rst
ixpk= 1595, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 74, 738,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 0 AMB 20-2:1596 46 VAL MGX 2.80 (# 1596:20 Single Ambig)
&rst
ixpk= 1596, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1= 893, 894, 895, 903, 904,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 7 VAL HA 7 VAL MGY 3.50 (# 1597:20 Unique 2.43, 3.52 A)
&rst
ixpk= 1597, nxpk= 20, iat= 103, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 0 AMB 20-2:1598 7 VAL MGY 4.50 (# 1598:20 Single Ambig)
&rst
ixpk= 1598, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 856, 858, 859,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 7 VAL HB 7 VAL MGY 3.50 (# 1599:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1599, nxpk= 20, iat= 105, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 0 AMB 20-2:1600 7 VAL MGY 3.50 (# 1600:20 Single Ambig)
&rst
ixpk= 1600, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 893, 894, 895, 410, 411,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 0 AMB 20-2:1602 0 AMB 20-1:1602 4.50 (# 1602:20 Double Ambig)
&rst
ixpk= 1602, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 14, 771,
igr2= 8, 9, 10,1125,1126,1127,
&end
#
# 1 ALA HA 1 ALA MB 3.50 (# 1603:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1603, nxpk= 20, iat= 6, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 8, 9, 10,
&end
#
# 72 ALA HN 72 ALA MB 3.50 (# 1604:20 Unique 2.10, 2.97 A)
&rst
ixpk= 1604, nxpk= 20, iat=1121, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1125,1126,1127,
&end
#
# 46 VAL HN 72 ALA MB 5.50 (# 1605:20 Unique 2.30, 4.17 A)
&rst
ixpk= 1605, nxpk= 20, iat= 734, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1125,1126,1127,
&end
#
# 4 TRP HH2 72 ALA MB 5.50 (# 1606:20 Unique 2.39, 4.06 A)
&rst
ixpk= 1606, nxpk= 20, iat= 61, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1125,1126,1127,
&end
#
# 4 TRP HZ3 72 ALA MB 3.50 (# 1607:20 Unique 2.00, 3.09 A)
&rst
ixpk= 1607, nxpk= 20, iat= 63, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1125,1126,1127,
&end
#
# 45 LYS HA 72 ALA MB 4.50 (# 1608:20 Unique 2.80, 4.81 A)
&rst
ixpk= 1608, nxpk= 20, iat= 714, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1125,1126,1127,
&end
#
# 72 ALA HA 72 ALA MB 2.80 (# 1609:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1609, nxpk= 20, iat=1123, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1125,1126,1127,
&end
#
# 47 TYR HB+ 72 ALA MB 4.50 (# 1610:20 Unique 2.00, 3.35 A)
&rst
ixpk= 1610, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 754, 755,
igr2=1125,1126,1127,
&end
#
# 47 TYR HB- 72 ALA MB 3.50 (# 1611:20 Unique 2.00, 3.35 A)
&rst
ixpk= 1611, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 754, 755,
igr2=1125,1126,1127,
&end
#
# 78 ILE HG1+ 72 ALA MB 4.50 (# 1612:20 Unique 2.86, 5.10 A)
&rst
ixpk= 1612, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1208,1209,
igr2=1125,1126,1127,
&end
#
# 45 LYS HD- 72 ALA MB 4.50 (# 1613:20 Unique 2.36, 5.36 A)
&rst
ixpk= 1613, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 722, 723,
igr2=1125,1126,1127,
&end
#
# 0 AMB 20-2:1614 83 VAL MGX 3.50 (# 1614:20 Single Ambig)
&rst
ixpk= 1614, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1280, 283,
igr2=1286,1287,1288,1290,1291,1292,
&end
#
# 0 AMB 20-2:1615 83 VAL MGX 4.50 (# 1615:20 Single Ambig)
&rst
ixpk= 1615, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1296, 273,
igr2=1286,1287,1288,1290,1291,1292,
&end
#
# 83 VAL HA 83 VAL MGX 3.50 (# 1617:20 Unique 2.27, 3.20 A)
&rst
ixpk= 1617, nxpk= 20, iat=1282, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1286,1287,1288,1290,1291,1292,
&end
#
# 19 GLN HA 83 VAL MGX 3.50 (# 1618:20 Unique 2.12, 4.62 A)
&rst
ixpk= 1618, nxpk= 20, iat= 308, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1286,1287,1288,1290,1291,1292,
&end
#
# 19 GLN HG- 83 VAL MGX 3.50 (# 1619:20 Unique 2.00, 5.18 A)
&rst
ixpk= 1619, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 313, 314,
igr2=1286,1287,1288,1290,1291,1292,
&end
#
# 83 VAL HB 83 VAL MGX 3.50 (# 1620:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1620, nxpk= 20, iat=1284, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1286,1287,1288,1290,1291,1292,
&end
#
# 19 GLN HN 18 VAL MGX 3.50 (# 1621:20 Unique 1.95, 4.01 A)
&rst
ixpk= 1621, nxpk= 20, iat= 306, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 18 VAL HA 18 VAL MGX 3.50 (# 1622:20 Unique 2.28, 3.11 A)
&rst
ixpk= 1622, nxpk= 20, iat= 292, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 21 ALA MB 18 VAL MGX 3.50 (# 1623:20 Unique 2.63, 5.67 A)
&rst
ixpk= 1623, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 334, 335, 336,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 0 AMB 20-2:1624 18 VAL MGX 2.80 (# 1624:20 Single Ambig)
&rst
ixpk= 1624, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 294,1231,1232,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 80 MET HB- 18 VAL MGX 3.50 (# 1625:20 Unique 2.37, 4.81 A)
&rst
ixpk= 1625, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1231,1232,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 75 LEU MDY 18 VAL MGX 4.50 (# 1626:20 Unique 2.11, 6.27 A)
&rst
ixpk= 1626, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1154,1155,1156,1158,1159,1160,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 78 ILE QD1 18 VAL MGX 4.50 (# 1627:20 Unique 2.02, 5.43 A)
&rst
ixpk= 1627, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1211,1212,1213,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 37 VAL HN 37 VAL MGX 3.50 (# 1628:20 Unique 2.59, 4.16 A)
&rst
ixpk= 1628, nxpk= 20, iat= 592, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 598, 599, 600, 602, 603, 604,
&end
#
# 37 VAL HA 37 VAL MGX 3.50 (# 1629:20 Unique 2.25, 3.11 A)
&rst
ixpk= 1629, nxpk= 20, iat= 594, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 598, 599, 600, 602, 603, 604,
&end
#
# 3 HIS HB+ 37 VAL MGX 4.50 (# 1630:20 Unique 2.91, 5.09 A)
&rst
ixpk= 1630, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 33, 34,
igr2= 598, 599, 600, 602, 603, 604,
&end
#
# 42 ASP HB- 37 VAL MGX 4.50 (# 1631:20 Unique 2.00, 4.39 A)
&rst
ixpk= 1631, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 674, 675,
igr2= 598, 599, 600, 602, 603, 604,
&end
#
# 37 VAL HB 37 VAL MGX 2.80 (# 1632:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1632, nxpk= 20, iat= 596, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 598, 599, 600, 602, 603, 604,
&end
#
# 0 AMB 20-2:1633 37 VAL MGX 3.50 (# 1633:20 Single Ambig)
&rst
ixpk= 1633, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 586, 587, 588, 549, 550,
igr2= 598, 599, 600, 602, 603, 604,
&end
#
# 0 AMB 20-2:1634 37 VAL MGX 4.50 (# 1634:20 Single Ambig)
&rst
ixpk= 1634, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 80, 81, 80, 81,
igr2= 598, 599, 600, 602, 603, 604,
&end
#
# 33 ILE QG2 37 VAL MGX 4.50 (# 1635:20 Unique 5.71, 7.59 A)
&rst
ixpk= 1635, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 545, 546, 547,
igr2= 598, 599, 600, 602, 603, 604,
&end
#
# 44 VAL MGY 37 VAL MGX 3.50 (# 1636:20 Unique 2.30, 5.59 A)
&rst
ixpk= 1636, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 702, 703, 704, 706, 707, 708,
igr2= 598, 599, 600, 602, 603, 604,
&end
#
# 33 ILE HG1+ 37 VAL MGX 2.80 (# 1637:20 Unique 2.84, 4.96 A)
&rst
ixpk= 1637, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 549, 550,
igr2= 598, 599, 600, 602, 603, 604,
&end
#
# 0 AMB 20-2:1638 37 VAL MGX 2.80 (# 1638:20 Single Ambig)
&rst
ixpk= 1638, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 552, 553, 554, 83, 84, 85,
igr2= 598, 599, 600, 602, 603, 604,
&end
#
# 0 AMB 20-2:1639 33 ILE QG2 3.50 (# 1639:20 Single Ambig)
&rst
ixpk= 1639, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
igr1= 562, 563, 564, 485, 486,
igr2= 545, 546, 547,
&end
#
# 33 ILE HG1+ 33 ILE QG2 2.80 (# 1640:20 Unique 2.09, 3.14 A)
&rst
ixpk= 1640, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 549, 550,
igr2= 545, 546, 547,
&end
#
# 33 ILE HN 33 ILE QG2 3.50 (# 1641:20 Unique 2.26, 3.20 A)
&rst
ixpk= 1641, nxpk= 20, iat= 539, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 545, 546, 547,
&end
#
# 34 ALA HN 33 ILE QG2 3.50 (# 1642:20 Unique 1.98, 2.99 A)
&rst
ixpk= 1642, nxpk= 20, iat= 558, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 545, 546, 547,
&end
#
# 66 TYR HE 33 ILE QG2 3.50 (# 1643:20 Unique 2.00, 4.49 A)
&rst
ixpk= 1643, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1034,1039,
igr2= 545, 546, 547,
&end
#
# 34 ALA HA 33 ILE QG2 4.50 (# 1644:20 Unique 3.18, 4.15 A)
&rst
ixpk= 1644, nxpk= 20, iat= 560, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 545, 546, 547,
&end
#
# 0 AMB 20-2:1645 33 ILE QG2 3.50 (# 1645:20 Single Ambig)
&rst
ixpk= 1645, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 480, 541,
igr2= 545, 546, 547,
&end
#
# 64 MET ME 33 ILE QG2 3.50 (# 1646:20 Unique 2.00, 3.18 A)
&rst
ixpk= 1646, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1011,1012,1013,
igr2= 545, 546, 547,
&end
#
# 33 ILE HB 33 ILE QG2 2.80 (# 1647:20 Unique 2.25, 2.63 A)
&rst
ixpk= 1647, nxpk= 20, iat= 543, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 545, 546, 547,
&end
#
# 0 AMB 20-2:1648 33 ILE QG2 4.50 (# 1648:20 Single Ambig)
&rst
ixpk= 1648, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 962, 519, 520,
igr2= 545, 546, 547,
&end
#
# 0 AMB 20-2:1649 33 ILE QG2 3.50 (# 1649:20 Single Ambig)
&rst
ixpk= 1649, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 964, 965, 966, 968, 969, 970, 964, 965, 966, 968,
969, 970,
igr2= 545, 546, 547,
&end
#
# 29 VAL HN 24 ILE QG2 4.50 (# 1650:20 Unique 2.33, 3.81 A)
&rst
ixpk= 1650, nxpk= 20, iat= 462, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 379, 380, 381,
&end
#
# 24 ILE HA 24 ILE QG2 3.50 (# 1651:20 Unique 1.97, 2.89 A)
&rst
ixpk= 1651, nxpk= 20, iat= 375, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 379, 380, 381,
&end
#
# 29 VAL HA 24 ILE QG2 2.80 (# 1652:20 Unique 1.97, 3.15 A)
&rst
ixpk= 1652, nxpk= 20, iat= 464, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 379, 380, 381,
&end
#
# 32 ARG HD- 24 ILE QG2 3.50 (# 1653:20 Unique 2.05, 3.76 A)
&rst
ixpk= 1653, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 525, 526,
igr2= 379, 380, 381,
&end
#
# 0 AMB 20-2:1654 24 ILE QG2 2.80 (# 1654:20 Single Ambig)
&rst
ixpk= 1654, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 519, 520, 522, 523,
igr2= 379, 380, 381,
&end
#
# 24 ILE HB 24 ILE QG2 2.80 (# 1655:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1655, nxpk= 20, iat= 377, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 379, 380, 381,
&end
#
# 24 ILE HG1- 24 ILE QG2 3.50 (# 1656:20 Unique 2.25, 3.51 A)
&rst
ixpk= 1656, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 383, 384,
igr2= 379, 380, 381,
&end
#
# 0 AMB 20-2:1657 24 ILE QG2 2.80 (# 1657:20 Single Ambig)
&rst
ixpk= 1657, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.85, r4= 5.60,
igr1= 468, 469, 470, 472, 473, 474, 346, 347, 348,
igr2= 379, 380, 381,
&end
#
# 0 AMB 20-2:1658 57 ALA MB 2.80 (# 1658:20 Single Ambig)
&rst
ixpk= 1658, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 889, 899,
igr2= 893, 894, 895,
&end
#
# 57 ALA HA 57 ALA MB 2.80 (# 1659:20 Unique 2.25, 2.63 A)
&rst
ixpk= 1659, nxpk= 20, iat= 891, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 893, 894, 895,
&end
#
# 54 SER HA 57 ALA MB 3.50 (# 1660:20 Unique 2.62, 3.74 A)
&rst
ixpk= 1660, nxpk= 20, iat= 856, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 893, 894, 895,
&end
#
# 7 VAL HB 57 ALA MB 4.50 (# 1661:20 Unique 2.50, 3.95 A)
&rst
ixpk= 1661, nxpk= 20, iat= 105, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 893, 894, 895,
&end
#
# 0 AMB 20-2:1662 57 ALA MB 4.50 (# 1662:20 Single Ambig)
&rst
ixpk= 1662, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 876, 877, 903, 904,
igr2= 893, 894, 895,
&end
#
# 0 AMB 20-2:1663 57 ALA MB 3.50 (# 1663:20 Single Ambig)
&rst
ixpk= 1663, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 738, 940, 410, 411,
igr2= 893, 894, 895,
&end
#
# 0 AMB 20-2:1664 57 ALA MB 2.80 (# 1664:20 Single Ambig)
&rst
ixpk= 1664, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 415, 416, 417, 419, 420, 421, 740, 741, 742, 744,
745, 746,
igr2= 893, 894, 895,
&end
#
# 0 AMB 20-2:1665 57 ALA MB 2.80 (# 1665:20 Single Ambig)
&rst
ixpk= 1665, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 107, 108, 109, 111, 112, 113, 468, 469, 470, 472,
473, 474,
igr2= 893, 894, 895,
&end
#
# 61 LEU MDY 57 ALA MB 4.50 (# 1666:20 Unique 2.01, 5.29 A)
&rst
ixpk= 1666, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 964, 965, 966, 968, 969, 970,
igr2= 893, 894, 895,
&end
#
# 54 SER HB- 7 VAL MGX 4.50 (# 1667:20 Unique 2.54, 5.31 A)
&rst
ixpk= 1667, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 858, 859,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 48 CYS HB+ 7 VAL MGX 4.50 (# 1668:20 Unique 2.06, 5.84 A)
&rst
ixpk= 1668, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 775, 776,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 53 GLN HB+ 7 VAL MGX 4.50 (# 1669:20 Unique 2.00, 6.06 A)
&rst
ixpk= 1669, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 841, 842,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 0 AMB 20-2:1670 7 VAL MGX 3.50 (# 1670:20 Single Ambig)
&rst
ixpk= 1670, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 893, 894, 895, 410, 411,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 7 VAL HN 7 VAL MGX 3.50 (# 1671:20 Unique 1.96, 3.03 A)
&rst
ixpk= 1671, nxpk= 20, iat= 101, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 0 AMB 20-2:1672 7 VAL MGX 3.50 (# 1672:20 Single Ambig)
&rst
ixpk= 1672, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 856, 858, 859,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 48 CYS HB- 7 VAL MGX 3.50 (# 1673:20 Unique 2.06, 5.84 A)
&rst
ixpk= 1673, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 775, 776,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 7 VAL HB 7 VAL MGX 3.50 (# 1674:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1674, nxpk= 20, iat= 105, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 53 GLN HB- 7 VAL MGX 3.50 (# 1675:20 Unique 2.00, 6.06 A)
&rst
ixpk= 1675, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 841, 842,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 0 AMB 20-2:1677 0 AMB 20-1:1677 4.50 (# 1677:20 Double Ambig)
&rst
ixpk= 1677, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1011,1012,1013, 105,
igr2= 562, 563, 564, 893, 894, 895,
&end
#
# 0 AMB 20-2:1678 57 ALA MB 3.50 (# 1678:20 Single Ambig)
&rst
ixpk= 1678, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 738, 940,
igr2= 893, 894, 895,
&end
#
# 32 ARG HG- 34 ALA MB 5.50 (# 1679:20 Unique 6.32, 7.99 A)
&rst
ixpk= 1679, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 522, 523,
igr2= 562, 563, 564,
&end
#
# 26 LEU MDX 57 ALA MB 4.50 (# 1680:20 Unique 2.00, 4.23 A)
&rst
ixpk= 1680, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 415, 416, 417, 419, 420, 421,
igr2= 893, 894, 895,
&end
#
# 34 ALA HN 34 ALA MB 2.80 (# 1681:20 Unique 2.06, 2.88 A)
&rst
ixpk= 1681, nxpk= 20, iat= 558, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 562, 563, 564,
&end
#
# 35 THR HN 34 ALA MB 3.50 (# 1682:20 Unique 2.74, 3.67 A)
&rst
ixpk= 1682, nxpk= 20, iat= 568, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 562, 563, 564,
&end
#
# 38 PRO HA 34 ALA MB 5.50 (# 1683:20 Unique 4.33, 5.42 A)
&rst
ixpk= 1683, nxpk= 20, iat= 618, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 562, 563, 564,
&end
#
# 34 ALA HA 34 ALA MB 2.80 (# 1684:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1684, nxpk= 20, iat= 560, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 562, 563, 564,
&end
#
# 53 GLN HE2+ 9 VAL MGX 3.50 (# 1685:20 Unique 1.96, 4.78 A)
&rst
ixpk= 1685, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 849, 850,
igr2= 147, 148, 149, 151, 152, 153,
&end
#
# 12 GLN HN 9 VAL MGX 3.50 (# 1686:20 Unique 1.94, 4.27 A)
&rst
ixpk= 1686, nxpk= 20, iat= 186, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 147, 148, 149, 151, 152, 153,
&end
#
# 9 VAL HA 9 VAL MGX 3.50 (# 1687:20 Unique 2.13, 3.43 A)
&rst
ixpk= 1687, nxpk= 20, iat= 143, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 147, 148, 149, 151, 152, 153,
&end
#
# 0 AMB 20-2:1688 9 VAL MGX 4.50 (# 1688:20 Single Ambig)
&rst
ixpk= 1688, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 158, 159, 158, 159,
igr2= 147, 148, 149, 151, 152, 153,
&end
#
# 9 VAL HB 9 VAL MGX 2.80 (# 1689:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1689, nxpk= 20, iat= 145, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 147, 148, 149, 151, 152, 153,
&end
#
# 0 AMB 20-2:1690 9 VAL MGX 3.50 (# 1690:20 Single Ambig)
&rst
ixpk= 1690, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 175, 176, 175, 176,
igr2= 147, 148, 149, 151, 152, 153,
&end
#
# 11 GLU HN 9 VAL MGX 3.50 (# 1692:20 Unique 2.14, 4.47 A)
&rst
ixpk= 1692, nxpk= 20, iat= 171, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 147, 148, 149, 151, 152, 153,
&end
#
# 9 VAL HN 9 VAL MGX 3.50 (# 1693:20 Unique 1.95, 3.03 A)
&rst
ixpk= 1693, nxpk= 20, iat= 141, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 147, 148, 149, 151, 152, 153,
&end
#
# 12 GLN HG- 9 VAL MGX 2.80 (# 1694:20 Unique 2.09, 5.01 A)
&rst
ixpk= 1694, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 193, 194,
igr2= 147, 148, 149, 151, 152, 153,
&end
#
# 0 AMB 20-2:1695 78 ILE QG2 3.50 (# 1695:20 Single Ambig)
&rst
ixpk= 1695, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1227, 61,
igr2=1204,1205,1206,
&end
#
# 4 TRP HZ3 78 ILE QG2 4.50 (# 1696:20 Unique 3.59, 5.01 A)
&rst
ixpk= 1696, nxpk= 20, iat= 63, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1204,1205,1206,
&end
#
# 78 ILE HB 78 ILE QG2 2.80 (# 1697:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1697, nxpk= 20, iat=1202, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1204,1205,1206,
&end
#
# 18 VAL MGY 78 ILE QG2 3.50 (# 1698:20 Unique 2.50, 5.60 A)
&rst
ixpk= 1698, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 296, 297, 298, 300, 301, 302,
igr2=1204,1205,1206,
&end
#
# 78 ILE HA 78 ILE QG2 3.50 (# 1699:20 Unique 2.33, 3.09 A)
&rst
ixpk= 1699, nxpk= 20, iat=1200, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1204,1205,1206,
&end
#
# 80 MET HG+ 78 ILE QG2 3.50 (# 1700:20 Unique 2.04, 4.11 A)
&rst
ixpk= 1700, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1234,1235,
igr2=1204,1205,1206,
&end
#
# 0 AMB 20-2:1701 78 ILE QG2 3.50 (# 1701:20 Single Ambig)
&rst
ixpk= 1701, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
igr1=1231,1232,1238,1239,1240,
igr2=1204,1205,1206,
&end
#
# 22 ILE HN 22 ILE QG2 4.50 (# 1702:20 Unique 4.40, 4.65 A)
&rst
ixpk= 1702, nxpk= 20, iat= 340, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 346, 347, 348,
&end
#
# 23 ASN HN 22 ILE QG2 4.50 (# 1703:20 Unique 1.99, 3.64 A)
&rst
ixpk= 1703, nxpk= 20, iat= 359, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 346, 347, 348,
&end
#
# 22 ILE HA 22 ILE QG2 3.50 (# 1704:20 Unique 2.19, 2.98 A)
&rst
ixpk= 1704, nxpk= 20, iat= 342, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 346, 347, 348,
&end
#
# 0 AMB 20-2:1705 0 AMB 20-1:1705 2.80 (# 1705:20 Double Ambig)
&rst
ixpk= 1705, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 344, 940, 946, 947, 522, 523,
igr2= 346, 347, 348, 942, 943, 944,
&end
#
# 22 ILE HG1- 22 ILE QG2 3.50 (# 1706:20 Unique 2.30, 3.49 A)
&rst
ixpk= 1706, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 350, 351,
igr2= 346, 347, 348,
&end
#
# 0 AMB 20-2:1707 22 ILE QG2 2.80 (# 1707:20 Single Ambig)
&rst
ixpk= 1707, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
igr1= 586, 587, 588, 350, 351,
igr2= 346, 347, 348,
&end
#
# 24 ILE HG1- 22 ILE QG2 2.80 (# 1708:20 Unique 1.99, 3.81 A)
&rst
ixpk= 1708, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 383, 384,
igr2= 346, 347, 348,
&end
#
# 0 AMB 20-2:1709 22 ILE QG2 3.50 (# 1709:20 Single Ambig)
&rst
ixpk= 1709, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 386, 387, 388, 379, 380, 381,
igr2= 346, 347, 348,
&end
#
# 0 AMB 20-2:1710 64 MET ME 5.50 (# 1710:20 Single Ambig)
&rst
ixpk= 1710, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 955, 539,
igr2=1011,1012,1013,
&end
#
# 34 ALA HN 64 MET ME 4.50 (# 1711:20 Unique 3.26, 4.68 A)
&rst
ixpk= 1711, nxpk= 20, iat= 558, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1011,1012,1013,
&end
#
# 66 TYR HE 64 MET ME 3.50 (# 1712:20 Unique 2.00, 5.02 A)
&rst
ixpk= 1712, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1034,1039,
igr2=1011,1012,1013,
&end
#
# 64 MET HA 64 MET ME 5.50 (# 1713:20 Unique 4.26, 5.32 A)
&rst
ixpk= 1713, nxpk= 20, iat=1002, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1011,1012,1013,
&end
#
# 61 LEU HA 64 MET ME 4.50 (# 1714:20 Unique 2.00, 3.71 A)
&rst
ixpk= 1714, nxpk= 20, iat= 957, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1011,1012,1013,
&end
#
# 30 LYS HA 64 MET ME 3.50 (# 1715:20 Unique 1.99, 3.61 A)
&rst
ixpk= 1715, nxpk= 20, iat= 480, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1011,1012,1013,
&end
#
# 0 AMB 20-2:1716 64 MET ME 3.50 (# 1716:20 Single Ambig)
&rst
ixpk= 1716, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1007,1008, 491, 492,
igr2=1011,1012,1013,
&end
#
# 0 AMB 20-2:1717 64 MET ME 3.50 (# 1717:20 Single Ambig)
&rst
ixpk= 1717, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1004,1005,1007,1008,
igr2=1011,1012,1013,
&end
#
# 64 MET HB- 64 MET ME 3.50 (# 1718:20 Unique 2.00, 3.50 A)
&rst
ixpk= 1718, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1004,1005,
igr2=1011,1012,1013,
&end
#
# 30 LYS HG+ 64 MET ME 4.50 (# 1719:20 Unique 2.07, 4.90 A)
&rst
ixpk= 1719, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 485, 486,
igr2=1011,1012,1013,
&end
#
# 0 AMB 20-2:1720 64 MET ME 4.50 (# 1720:20 Single Ambig)
&rst
ixpk= 1720, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
igr1= 485, 486, 562, 563, 564,
igr2=1011,1012,1013,
&end
#
# 33 ILE QG2 64 MET ME 2.80 (# 1721:20 Unique 2.00, 3.18 A)
&rst
ixpk= 1721, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 545, 546, 547,
igr2=1011,1012,1013,
&end
#
# 61 LEU MDX 64 MET ME 4.50 (# 1722:20 Unique 2.00, 5.31 A)
&rst
ixpk= 1722, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 964, 965, 966, 968, 969, 970,
igr2=1011,1012,1013,
&end
#
# 61 LEU HN 60 ILE QG2 3.50 (# 1723:20 Unique 2.88, 4.09 A)
&rst
ixpk= 1723, nxpk= 20, iat= 955, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 942, 943, 944,
&end
#
# 60 ILE HN 60 ILE QG2 4.50 (# 1724:20 Unique 4.40, 4.53 A)
&rst
ixpk= 1724, nxpk= 20, iat= 936, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 942, 943, 944,
&end
#
# 0 AMB 20-2:1725 0 AMB 20-1:1725 4.50 (# 1725:20 Double Ambig)
&rst
ixpk= 1725, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 957, 375,
igr2= 942, 943, 944, 346, 347, 348,
&end
#
# 0 AMB 20-2:1726 0 AMB 20-1:1726 3.50 (# 1726:20 Double Ambig)
&rst
ixpk= 1726, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 480, 891, 541,
igr2= 942, 943, 944, 346, 347, 348,
&end
#
# 60 ILE HA 60 ILE QG2 3.50 (# 1727:20 Unique 2.37, 3.12 A)
&rst
ixpk= 1727, nxpk= 20, iat= 938, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 942, 943, 944,
&end
#
# 0 AMB 20-2:1728 60 ILE QG2 3.50 (# 1728:20 Single Ambig)
&rst
ixpk= 1728, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 491, 492, 491, 492,1007,1008,
igr2= 942, 943, 944,
&end
#
# 64 MET HG- 60 ILE QG2 4.50 (# 1729:20 Unique 2.52, 4.99 A)
&rst
ixpk= 1729, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1007,1008,
igr2= 942, 943, 944,
&end
#
# 0 AMB 20-2:1730 60 ILE QG2 4.50 (# 1730:20 Single Ambig)
&rst
ixpk= 1730, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.47, r4= 8.22,
igr1=1011,1012,1013, 989, 990, 989, 990,
igr2= 942, 943, 944,
&end
#
# 0 AMB 20-2:1731 0 AMB 20-1:1731 2.80 (# 1731:20 Double Ambig)
&rst
ixpk= 1731, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 344, 940, 946, 947,
igr2= 346, 347, 348, 942, 943, 944,
&end
#
# 0 AMB 20-2:1732 60 ILE QG2 3.50 (# 1732:20 Single Ambig)
&rst
ixpk= 1732, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 485, 486, 962,
igr2= 942, 943, 944,
&end
#
# 30 LYS HG- 60 ILE QG2 2.80 (# 1733:20 Unique 2.01, 3.16 A)
&rst
ixpk= 1733, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 485, 486,
igr2= 942, 943, 944,
&end
#
# 60 ILE HG1+ 60 ILE QG2 2.80 (# 1734:20 Unique 2.37, 3.43 A)
&rst
ixpk= 1734, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 946, 947,
igr2= 942, 943, 944,
&end
#
# 6 ASP HN 5 ILE QG2 3.50 (# 1735:20 Unique 2.07, 3.64 A)
&rst
ixpk= 1735, nxpk= 20, iat= 89, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 76, 77, 78,
&end
#
# 5 ILE HA 5 ILE QG2 3.50 (# 1736:20 Unique 2.24, 3.09 A)
&rst
ixpk= 1736, nxpk= 20, iat= 72, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 76, 77, 78,
&end
#
# 0 AMB 20-2:1737 5 ILE QG2 2.80 (# 1737:20 Single Ambig)
&rst
ixpk= 1737, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 74, 344, 543,
igr2= 76, 77, 78,
&end
#
# 0 AMB 20-2:1738 5 ILE QG2 4.50 (# 1738:20 Single Ambig)
&rst
ixpk= 1738, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
igr1= 350, 351, 586, 587, 588,
igr2= 76, 77, 78,
&end
#
# 0 AMB 20-2:1739 5 ILE QG2 2.80 (# 1739:20 Single Ambig)
&rst
ixpk= 1739, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 383, 384, 80, 81, 80, 81,
igr2= 76, 77, 78,
&end
#
# 0 AMB 20-2:1740 5 ILE QG2 2.80 (# 1740:20 Single Ambig)
&rst
ixpk= 1740, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.22, r4= 5.97,
igr1= 383, 384, 468, 469, 470, 472, 473, 474, 107, 108,
109, 111, 112, 113,
igr2= 76, 77, 78,
&end
#
# 24 ILE HN 5 ILE QG2 4.50 (# 1741:20 Unique 2.70, 4.59 A)
&rst
ixpk= 1741, nxpk= 20, iat= 373, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 76, 77, 78,
&end
#
# 79 ALA HN 79 ALA MB 3.50 (# 1742:20 Unique 2.33, 3.16 A)
&rst
ixpk= 1742, nxpk= 20, iat=1217, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1221,1222,1223,
&end
#
# 80 MET HN 79 ALA MB 5.50 (# 1743:20 Unique 4.10, 4.46 A)
&rst
ixpk= 1743, nxpk= 20, iat=1227, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1221,1222,1223,
&end
#
# 79 ALA HA 79 ALA MB 2.80 (# 1745:20 Unique 2.28, 2.63 A)
&rst
ixpk= 1745, nxpk= 20, iat=1219, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1221,1222,1223,
&end
#
# 0 AMB 20-2:1747 33 ILE QD1 4.50 (# 1747:20 Single Ambig)
&rst
ixpk= 1747, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 592, 539,
igr2= 552, 553, 554,
&end
#
# 33 ILE HA 33 ILE QD1 3.50 (# 1748:20 Unique 2.25, 3.35 A)
&rst
ixpk= 1748, nxpk= 20, iat= 541, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 552, 553, 554,
&end
#
# 0 AMB 20-2:1749 33 ILE QD1 2.80 (# 1749:20 Single Ambig)
&rst
ixpk= 1749, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 543, 596,
igr2= 552, 553, 554,
&end
#
# 0 AMB 20-2:1750 33 ILE QD1 2.80 (# 1750:20 Single Ambig)
&rst
ixpk= 1750, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
igr1= 549, 550, 586, 587, 588,
igr2= 552, 553, 554,
&end
#
# 0 AMB 20-2:1751 33 ILE QD1 3.50 (# 1751:20 Single Ambig)
&rst
ixpk= 1751, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 80, 81, 80, 81,
igr2= 552, 553, 554,
&end
#
# 33 ILE HG1+ 33 ILE QD1 2.80 (# 1752:20 Unique 2.22, 2.62 A)
&rst
ixpk= 1752, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 549, 550,
igr2= 552, 553, 554,
&end
#
# 37 VAL MGX 33 ILE QD1 3.50 (# 1753:20 Unique 2.16, 4.93 A)
&rst
ixpk= 1753, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 598, 599, 600, 602, 603, 604,
igr2= 552, 553, 554,
&end
#
# 78 ILE HN 78 ILE QD1 4.50 (# 1754:20 Unique 3.57, 4.47 A)
&rst
ixpk= 1754, nxpk= 20, iat=1198, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1211,1212,1213,
&end
#
# 4 TRP HZ3 78 ILE QD1 3.50 (# 1755:20 Unique 2.01, 3.29 A)
&rst
ixpk= 1755, nxpk= 20, iat= 63, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1211,1212,1213,
&end
#
# 75 LEU HA 78 ILE QD1 3.50 (# 1756:20 Unique 2.01, 3.25 A)
&rst
ixpk= 1756, nxpk= 20, iat=1147, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1211,1212,1213,
&end
#
# 47 TYR HB+ 78 ILE QD1 3.50 (# 1757:20 Unique 2.05, 3.62 A)
&rst
ixpk= 1757, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 754, 755,
igr2=1211,1212,1213,
&end
#
# 47 TYR HB- 78 ILE QD1 3.50 (# 1758:20 Unique 2.05, 3.62 A)
&rst
ixpk= 1758, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 754, 755,
igr2=1211,1212,1213,
&end
#
# 0 AMB 20-2:1759 0 AMB 20-1:1759 3.50 (# 1759:20 Double Ambig)
&rst
ixpk= 1759, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 543,1208,1209,
igr2= 552, 553, 554,1211,1212,1213,
&end
#
# 0 AMB 20-2:1760 0 AMB 20-1:1760 2.80 (# 1760:20 Double Ambig)
&rst
ixpk= 1760, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=1125,1126,1127, 598, 599, 600, 602, 603, 604,1202,
igr2=1211,1212,1213, 552, 553, 554,
&end
#
# 18 VAL MGY 78 ILE QD1 3.50 (# 1761:20 Unique 2.02, 5.43 A)
&rst
ixpk= 1761, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 296, 297, 298, 300, 301, 302,
igr2=1211,1212,1213,
&end
#
# 60 ILE HN 60 ILE QD1 4.50 (# 1762:20 Unique 2.86, 4.15 A)
&rst
ixpk= 1762, nxpk= 20, iat= 936, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 949, 950, 951,
&end
#
# 60 ILE HA 60 ILE QD1 4.50 (# 1763:20 Unique 4.36, 4.65 A)
&rst
ixpk= 1763, nxpk= 20, iat= 938, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 949, 950, 951,
&end
#
# 0 AMB 20-2:1764 60 ILE QD1 2.80 (# 1764:20 Single Ambig)
&rst
ixpk= 1764, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 940, 946, 947,
igr2= 949, 950, 951,
&end
#
# 60 ILE HG1+ 60 ILE QD1 2.80 (# 1765:20 Unique 2.20, 2.62 A)
&rst
ixpk= 1765, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 946, 947,
igr2= 949, 950, 951,
&end
#
# 57 ALA HA 60 ILE QD1 3.50 (# 1766:20 Unique 2.08, 3.28 A)
&rst
ixpk= 1766, nxpk= 20, iat= 891, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 949, 950, 951,
&end
#
# 0 AMB 20-2:1767 60 ILE QD1 4.50 (# 1767:20 Single Ambig)
&rst
ixpk= 1767, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 879, 880, 876, 877,
igr2= 949, 950, 951,
&end
#
# 0 AMB 20-2:1768 22 ILE QD1 3.50 (# 1768:20 Single Ambig)
&rst
ixpk= 1768, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 83, 84, 85, 386, 387, 388,
igr2= 353, 354, 355,
&end
#
# 22 ILE HG1- 22 ILE QD1 2.80 (# 1769:20 Unique 2.20, 2.62 A)
&rst
ixpk= 1769, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 350, 351,
igr2= 353, 354, 355,
&end
#
# 0 AMB 20-2:1770 22 ILE QD1 2.80 (# 1770:20 Single Ambig)
&rst
ixpk= 1770, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
igr1= 350, 351, 586, 587, 588,
igr2= 353, 354, 355,
&end
#
# 33 ILE HA 24 ILE QD1 3.50 (# 1772:20 Unique 3.85, 4.39 A)
&rst
ixpk= 1772, nxpk= 20, iat= 541, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 386, 387, 388,
&end
#
# 0 AMB 20-2:1773 24 ILE QD1 3.50 (# 1773:20 Single Ambig)
&rst
ixpk= 1773, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
igr1= 522, 523, 344, 519, 520,
igr2= 386, 387, 388,
&end
#
# 32 ARG HG- 24 ILE QD1 4.50 (# 1774:20 Unique 2.00, 4.28 A)
&rst
ixpk= 1774, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 522, 523,
igr2= 386, 387, 388,
&end
#
# 0 AMB 20-2:1775 24 ILE QD1 3.50 (# 1775:20 Single Ambig)
&rst
ixpk= 1775, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
igr1= 350, 351, 586, 587, 588,
igr2= 386, 387, 388,
&end
#
# 24 ILE HG1- 24 ILE QD1 2.80 (# 1776:20 Unique 2.20, 2.62 A)
&rst
ixpk= 1776, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 383, 384,
igr2= 386, 387, 388,
&end
#
# 22 ILE HG1+ 5 ILE QD1 3.50 (# 1777:20 Unique 2.14, 3.31 A)
&rst
ixpk= 1777, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 350, 351,
igr2= 83, 84, 85,
&end
#
# 37 VAL MGX 5 ILE QD1 3.50 (# 1778:20 Unique 2.99, 6.38 A)
&rst
ixpk= 1778, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 598, 599, 600, 602, 603, 604,
igr2= 83, 84, 85,
&end
#
# 5 ILE HA 5 ILE QD1 3.50 (# 1779:20 Unique 2.00, 3.03 A)
&rst
ixpk= 1779, nxpk= 20, iat= 72, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 83, 84, 85,
&end
#
# 3 HIS HB+ 5 ILE QD1 4.50 (# 1780:20 Unique 2.55, 4.34 A)
&rst
ixpk= 1780, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 33, 34,
igr2= 83, 84, 85,
&end
#
# 0 AMB 20-2:1781 5 ILE QD1 3.50 (# 1781:20 Single Ambig)
&rst
ixpk= 1781, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 344, 74,
igr2= 83, 84, 85,
&end
#
# 22 ILE HG1- 5 ILE QD1 4.50 (# 1782:20 Unique 2.14, 3.31 A)
&rst
ixpk= 1782, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 350, 351,
igr2= 83, 84, 85,
&end
#
# 0 AMB 20-2:1783 5 ILE QD1 2.80 (# 1783:20 Single Ambig)
&rst
ixpk= 1783, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 80, 81, 80, 81,
igr2= 83, 84, 85,
&end
#
# 68 HIS HN 67 THR HB 5.50 (# 1784:20 Unique 4.02, 4.45 A)
&rst
ixpk= 1784, nxpk= 20, iat=1059,1049, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:1785 35 THR HB 5.50 (# 1785:20 Single Ambig)
&rst
ixpk= 1785, nxpk= 20, iat= -1, 572, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 522, 523, 519, 520,
&end
#
# 44 VAL HN 43 THR HB 5.50 (# 1786:20 Unique 3.87, 4.15 A)
&rst
ixpk= 1786, nxpk= 20, iat= 696, 686, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 24 ILE HG1- 29 VAL HA 5.50 (# 1788:20 Unique 3.82, 4.90 A)
&rst
ixpk= 1788, nxpk= 20, iat= -1, 464, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 383, 384,
&end
#
# 28 GLU HA 29 VAL HA 5.50 (# 1790:20 Unique 4.78, 4.87 A)
&rst
ixpk= 1790, nxpk= 20, iat= 449, 464, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 31 GLU HN 29 VAL HA 5.50 (# 1791:20 Unique 4.18, 4.34 A)
&rst
ixpk= 1791, nxpk= 20, iat= 500, 464, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:1794 10 PRO HA 5.50 (# 1794:20 Single Ambig)
&rst
ixpk= 1794, nxpk= 20, iat= -1, 167, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 205, 173,
&end
#
# 13 TYR HD 10 PRO HA 5.50 (# 1796:20 Unique 3.13, 4.64 A)
&rst
ixpk= 1796, nxpk= 20, iat= -1, 167, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 211, 220,
&end
#
# 12 GLN HN 10 PRO HA 4.50 (# 1797:20 Unique 3.93, 4.33 A)
&rst
ixpk= 1797, nxpk= 20, iat= 186, 167, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 14 GLN HN 10 PRO HA 5.50 (# 1798:20 Unique 3.94, 4.74 A)
&rst
ixpk= 1798, nxpk= 20, iat= 224, 167, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 11 GLU HN 10 PRO HA 4.50 (# 1799:20 Unique 3.41, 3.48 A)
&rst
ixpk= 1799, nxpk= 20, iat= 171, 167, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 61 LEU HB- 60 ILE HA 5.50 (# 1800:20 Unique 5.71, 6.23 A)
&rst
ixpk= 1800, nxpk= 20, iat= -1, 938, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 959, 960,
&end
#
# 63 GLU HG+ 60 ILE HA 4.50 (# 1801:20 Unique 2.47, 4.54 A)
&rst
ixpk= 1801, nxpk= 20, iat= -1, 938, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 992, 993,
&end
#
# 0 AMB 20-2:1802 60 ILE HA 5.50 (# 1802:20 Single Ambig)
&rst
ixpk= 1802, nxpk= 20, iat= -1, 938, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1000, 884, 885,
&end
#
# 0 AMB 20-2:1804 60 ILE HA 5.50 (# 1804:20 Single Ambig)
&rst
ixpk= 1804, nxpk= 20, iat= -1, 938, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 488, 489, 488, 489,
&end
#
# 60 ILE HN 60 ILE HA 3.50 (# 1805:20 Unique 2.76, 2.79 A)
&rst
ixpk= 1805, nxpk= 20, iat= 936, 938, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 33 ILE HG1+ 38 PRO HA 5.50 (# 1806:20 Unique 5.42, 6.27 A)
&rst
ixpk= 1806, nxpk= 20, iat= -1, 618, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 549, 550,
&end
#
# 38 PRO HD+ 38 PRO HA 4.50 (# 1807:20 Unique 3.60, 3.85 A)
&rst
ixpk= 1807, nxpk= 20, iat= -1, 618, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 609, 610,
&end
#
# 37 VAL HN 38 PRO HA 5.50 (# 1809:20 Unique 4.30, 4.45 A)
&rst
ixpk= 1809, nxpk= 20, iat= 592, 618, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:1810 43 THR HA 5.50 (# 1810:20 Single Ambig)
&rst
ixpk= 1810, nxpk= 20, iat= -1, 684, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 702, 703, 704, 706, 707, 708,1082,1083,1084,1086,
1087,1088,1082,1083,1084,1086,1087,1088,
&end
#
# 83 VAL MGX 18 VAL HA 5.50 (# 1811:20 Unique 3.23, 6.42 A)
&rst
ixpk= 1811, nxpk= 20, iat= -1, 292, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1286,1287,1288,1290,1291,1292,
&end
#
# 82 LYS HN 18 VAL HA 5.50 (# 1812:20 Unique 4.67, 5.20 A)
&rst
ixpk= 1812, nxpk= 20, iat=1258, 292, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 38 PRO HB+ 35 THR HA 5.50 (# 1813:20 Unique 3.29, 4.41 A)
&rst
ixpk= 1813, nxpk= 20, iat= -1, 570, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 615, 616,
&end
#
# 0 AMB 20-2:1814 0 AMB 20-1:1814 5.50 (# 1814:20 Double Ambig)
&rst
ixpk= 1814, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.70, r4=10.45,
igr1= 609, 610, 912, 913, 912, 913,
igr2= 570, 978, 979, 978, 979,
&end
#
# 34 ALA HN 35 THR HA 5.50 (# 1815:20 Unique 5.10, 5.26 A)
&rst
ixpk= 1815, nxpk= 20, iat= 558, 570, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:1816 0 AMB 20-1:1816 5.50 (# 1816:20 Double Ambig)
&rst
ixpk= 1816, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
igr1= 955, 592,
igr2= 978, 979, 978, 979, 570,
&end
#
# 0 AMB 20-2:1818 81 PRO HA 5.50 (# 1818:20 Single Ambig)
&rst
ixpk= 1818, nxpk= 20, iat= -1,1254, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1265,1266,1231,1232,
&end
#
# 81 PRO HD- 81 PRO HA 4.50 (# 1819:20 Unique 3.60, 3.85 A)
&rst
ixpk= 1819, nxpk= 20, iat= -1,1254, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1245,1246,
&end
#
# 81 PRO HD+ 81 PRO HA 4.50 (# 1820:20 Unique 3.60, 3.85 A)
&rst
ixpk= 1820, nxpk= 20, iat= -1,1254, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1245,1246,
&end
#
# 0 AMB 20-2:1823 67 THR HA 4.50 (# 1823:20 Single Ambig)
&rst
ixpk= 1823, nxpk= 20, iat= -1,1047, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
&end
#
# 68 HIS HA 67 THR HA 4.50 (# 1824:20 Unique 4.34, 4.39 A)
&rst
ixpk= 1824, nxpk= 20, iat=1061,1047, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:1828 62 SER HA 5.50 (# 1828:20 Single Ambig)
&rst
ixpk= 1828, nxpk= 20, iat= -1, 976, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
&end
#
# 0 AMB 20-2:1829 62 SER HA 5.50 (# 1829:20 Single Ambig)
&rst
ixpk= 1829, nxpk= 20, iat= -1, 976, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 959, 960, 906, 907,
&end
#
# 66 TYR HB- 62 SER HA 5.50 (# 1830:20 Unique 2.11, 3.37 A)
&rst
ixpk= 1830, nxpk= 20, iat= -1, 976, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1028,1029,
&end
#
# 65 GLY HN 62 SER HA 4.50 (# 1831:20 Unique 3.60, 3.80 A)
&rst
ixpk= 1831, nxpk= 20, iat=1017, 976, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 63 GLU HN 62 SER HA 4.50 (# 1832:20 Unique 3.52, 3.56 A)
&rst
ixpk= 1832, nxpk= 20, iat= 985, 976, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:1833 62 SER HA 2.80 (# 1833:20 Single Ambig)
&rst
ixpk= 1833, nxpk= 20, iat= -1, 976, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 978, 979, 978, 979,
&end
#
# 0 AMB 20-2:1834 33 ILE HA 2.80 (# 1834:20 Single Ambig)
&rst
ixpk= 1834, nxpk= 20, iat= -1, 541, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 552, 553, 554, 83, 84, 85,
&end
#
# 0 AMB 20-2:1835 78 ILE HA 5.50 (# 1835:20 Single Ambig)
&rst
ixpk= 1835, nxpk= 20, iat= -1,1200, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 61,1227,
&end
#
# 66 TYR HN 62 SER HA 4.50 (# 1836:20 Unique 2.73, 3.70 A)
&rst
ixpk= 1836, nxpk= 20, iat=1024, 976, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 37 VAL MGX 33 ILE HA 4.50 (# 1837:20 Unique 3.18, 5.70 A)
&rst
ixpk= 1837, nxpk= 20, iat= -1, 541, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 598, 599, 600, 602, 603, 604,
&end
#
# 32 ARG HB- 33 ILE HA 4.50 (# 1838:20 Unique 3.73, 4.68 A)
&rst
ixpk= 1838, nxpk= 20, iat= -1, 541, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 519, 520,
&end
#
# 29 VAL HA 33 ILE HA 5.50 (# 1840:20 Unique 4.32, 4.52 A)
&rst
ixpk= 1840, nxpk= 20, iat= 464, 541, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 35 THR HN 33 ILE HA 4.50 (# 1841:20 Unique 3.58, 3.87 A)
&rst
ixpk= 1841, nxpk= 20, iat= 568, 541, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 32 ARG HN 33 ILE HA 5.50 (# 1842:20 Unique 4.71, 4.93 A)
&rst
ixpk= 1842, nxpk= 20, iat= 515, 541, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 25 PRO HB- 25 PRO HA 3.50 (# 1843:20 Unique 2.30, 2.51 A)
&rst
ixpk= 1843, nxpk= 20, iat= -1, 402, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 399, 400,
&end
#
# 0 AMB 20-2:1844 0 AMB 20-1:1844 4.50 (# 1844:20 Double Ambig)
&rst
ixpk= 1844, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 865, 101,
igr2= 856, 402,
&end
#
# 0 AMB 20-2:1845 0 AMB 20-1:1845 5.50 (# 1845:20 Double Ambig)
&rst
ixpk= 1845, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 872, 373, 462,
igr2= 856, 402,
&end
#
# 55 GLY HN 54 SER HB+ 5.50 (# 1849:20 Unique 2.48, 3.66 A)
&rst
ixpk= 1849, nxpk= 20, iat= 865, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 858, 859,
&end
#
# 46 VAL MGY 54 SER HB+ 4.50 (# 1850:20 Unique 2.00, 5.15 A)
&rst
ixpk= 1850, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 740, 741, 742, 744, 745, 746,
igr2= 858, 859,
&end
#
# 46 VAL HB 54 SER HB+ 4.50 (# 1851:20 Unique 2.46, 3.80 A)
&rst
ixpk= 1851, nxpk= 20, iat= 738, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 858, 859,
&end
#
# 46 VAL HB 54 SER HB- 4.50 (# 1852:20 Unique 2.46, 3.80 A)
&rst
ixpk= 1852, nxpk= 20, iat= 738, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 858, 859,
&end
#
# 55 GLY HN 54 SER HB- 5.50 (# 1854:20 Unique 2.48, 3.66 A)
&rst
ixpk= 1854, nxpk= 20, iat= 865, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 858, 859,
&end
#
# 0 AMB 20-2:1855 54 SER HB- 5.50 (# 1855:20 Single Ambig)
&rst
ixpk= 1855, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 750, 734, 899,
igr2= 858, 859,
&end
#
# 48 CYS HN 54 SER HB- 5.50 (# 1856:20 Unique 3.13, 4.09 A)
&rst
ixpk= 1856, nxpk= 20, iat= 771, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 858, 859,
&end
#
# 0 AMB 20-2:1857 0 AMB 20-1:1857 5.50 (# 1857:20 Double Ambig)
&rst
ixpk= 1857, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 750, 734, 899,
igr2= 858, 859, 858, 859, 858, 859,
&end
#
# 43 THR MG2 44 VAL HA 4.50 (# 1858:20 Unique 4.11, 4.96 A)
&rst
ixpk= 1858, nxpk= 20, iat= -1, 698, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 688, 689, 690,
&end
#
# 75 LEU MDX 13 TYR HA 5.50 (# 1859:20 Unique 5.37, 7.68 A)
&rst
ixpk= 1859, nxpk= 20, iat= -1, 205, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1154,1155,1156,1158,1159,1160,
&end
#
# 0 AMB 20-2:1861 13 TYR HA 5.50 (# 1861:20 Single Ambig)
&rst
ixpk= 1861, nxpk= 20, iat= -1, 205, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 190, 191, 190, 191, 245, 246, 245, 246,
&end
#
# 13 TYR HD 13 TYR HA 5.50 (# 1862:20 Unique 2.05, 3.48 A)
&rst
ixpk= 1862, nxpk= 20, iat= -1, 205, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 211, 220,
&end
#
# 0 AMB 20-2:1863 13 TYR HA 2.80 (# 1863:20 Single Ambig)
&rst
ixpk= 1863, nxpk= 20, iat= -1, 205, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 203, 258,
&end
#
# 8 ARG HE 13 TYR HA 5.50 (# 1864:20 Unique 3.24, 4.93 A)
&rst
ixpk= 1864, nxpk= 20, iat= 130, 205, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 11 GLU HN 9 VAL HA 5.50 (# 1865:20 Unique 3.91, 4.09 A)
&rst
ixpk= 1865, nxpk= 20, iat= 171, 143, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:1866 0 AMB 20-1:1866 3.50 (# 1866:20 Double Ambig)
&rst
ixpk= 1866, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 876, 877, 399, 400,
igr2= 839, 143,
&end
#
# 0 AMB 20-2:1867 0 AMB 20-1:1867 3.50 (# 1867:20 Double Ambig)
&rst
ixpk= 1867, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 841, 842, 145,
igr2= 839, 143,
&end
#
# 53 GLN HG+ 53 GLN HA 3.50 (# 1868:20 Unique 2.02, 2.92 A)
&rst
ixpk= 1868, nxpk= 20, iat= -1, 839, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 844, 845,
&end
#
# 53 GLN HN 53 GLN HA 5.50 (# 1869:20 Unique 2.77, 2.87 A)
&rst
ixpk= 1869, nxpk= 20, iat= 837, 839, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:1871 0 AMB 20-1:1871 5.50 (# 1871:20 Double Ambig)
&rst
ixpk= 1871, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 889, 283,
igr2= 839,1282,
&end
#
# 0 AMB 20-2:1872 7 VAL HA 4.50 (# 1872:20 Single Ambig)
&rst
ixpk= 1872, nxpk= 20, iat= -1, 103, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 377, 399, 400,
&end
#
# 0 AMB 20-2:1873 7 VAL HA 4.50 (# 1873:20 Single Ambig)
&rst
ixpk= 1873, nxpk= 20, iat= -1, 103, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 410, 411, 893, 894, 895,
&end
#
# 0 AMB 20-2:1874 7 VAL HA 5.50 (# 1874:20 Single Ambig)
&rst
ixpk= 1874, nxpk= 20, iat= -1, 103, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 410, 411, 738,
&end
#
# 25 PRO HA 7 VAL HA 3.50 (# 1875:20 Unique 2.46, 2.79 A)
&rst
ixpk= 1875, nxpk= 20, iat= 402, 103, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:1878 58 LYS HA 2.80 (# 1878:20 Single Ambig)
&rst
ixpk= 1878, nxpk= 20, iat= -1, 901, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
&end
#
# 0 AMB 20-2:1879 0 AMB 20-1:1879 5.50 (# 1879:20 Double Ambig)
&rst
ixpk= 1879, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 912, 913, 491, 492, 491, 492,
igr2= 901, 480,
&end
#
# 32 ARG HN 30 LYS HA 5.50 (# 1880:20 Unique 3.93, 4.28 A)
&rst
ixpk= 1880, nxpk= 20, iat= 515, 480, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 34 ALA HN 30 LYS HA 5.50 (# 1881:20 Unique 5.08, 5.39 A)
&rst
ixpk= 1881, nxpk= 20, iat= 558, 480, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 62 SER HN 58 LYS HA 4.50 (# 1882:20 Unique 3.74, 4.28 A)
&rst
ixpk= 1882, nxpk= 20, iat= 974, 901, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 40 LYS HG- 66 TYR HA 4.50 (# 1883:20 Unique 2.05, 4.04 A)
&rst
ixpk= 1883, nxpk= 20, iat= -1,1026, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 641, 642,
&end
#
# 68 HIS HN 66 TYR HA 5.50 (# 1884:20 Unique 3.60, 3.88 A)
&rst
ixpk= 1884, nxpk= 20, iat=1059,1026, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 23 ASN HB- 22 ILE HA 5.50 (# 1885:20 Unique 4.11, 4.57 A)
&rst
ixpk= 1885, nxpk= 20, iat= -1, 342, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 363, 364,
&end
#
# 0 AMB 20-2:1886 22 ILE HA 5.50 (# 1886:20 Single Ambig)
&rst
ixpk= 1886, nxpk= 20, iat= -1, 342, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 386, 387, 388, 379, 380, 381, 76, 77, 78,
&end
#
# 9 VAL MGX 12 GLN HA 4.50 (# 1890:20 Unique 4.07, 6.54 A)
&rst
ixpk= 1890, nxpk= 20, iat= -1, 188, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 147, 148, 149, 151, 152, 153,
&end
#
# 75 LEU MDY 76 LYS HA 5.50 (# 1891:20 Unique 4.30, 6.57 A)
&rst
ixpk= 1891, nxpk= 20, iat= -1,1166, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1154,1155,1156,1158,1159,1160,
&end
#
# 0 AMB 20-2:1892 76 LYS HA 5.50 (# 1892:20 Single Ambig)
&rst
ixpk= 1892, nxpk= 20, iat= -1,1166, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
igr1=1154,1155,1156,1158,1159,1160,1208,1209,1265,1266,
&end
#
# 82 LYS HE- 76 LYS HA 5.50 (# 1893:20 Unique 2.42, 5.18 A)
&rst
ixpk= 1893, nxpk= 20, iat= -1,1166, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1271,1272,
&end
#
# 78 ILE HN 76 LYS HA 4.50 (# 1894:20 Unique 3.79, 4.04 A)
&rst
ixpk= 1894, nxpk= 20, iat=1198,1166, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:1895 26 LEU HA 4.50 (# 1895:20 Single Ambig)
&rst
ixpk= 1895, nxpk= 20, iat= -1, 408, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 379, 380, 381, 76, 77, 78, 386, 387, 388,
&end
#
# 7 VAL HA 26 LEU HA 5.50 (# 1896:20 Unique 3.42, 3.66 A)
&rst
ixpk= 1896, nxpk= 20, iat= 103, 408, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:1897 26 LEU HA 4.50 (# 1897:20 Single Ambig)
&rst
ixpk= 1897, nxpk= 20, iat= -1, 408, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 447, 478,
&end
#
# 0 AMB 20-2:1900 46 VAL HA 4.50 (# 1900:20 Single Ambig)
&rst
ixpk= 1900, nxpk= 20, iat= -1, 736, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 107, 108, 109, 111, 112, 113, 76, 77, 78,
&end
#
# 0 AMB 20-2:1901 46 VAL HA 5.50 (# 1901:20 Single Ambig)
&rst
ixpk= 1901, nxpk= 20, iat= -1, 736, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 80, 81, 80, 81,
&end
#
# 0 AMB 20-2:1902 46 VAL HA 5.50 (# 1902:20 Single Ambig)
&rst
ixpk= 1902, nxpk= 20, iat= -1, 736, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1125,1126,1127, 893, 894, 895,
&end
#
# 0 AMB 20-2:1903 46 VAL HA 5.50 (# 1903:20 Single Ambig)
&rst
ixpk= 1903, nxpk= 20, iat= -1, 736, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 91, 858, 859, 856,
&end
#
# 0 AMB 20-2:1904 46 VAL HA 5.50 (# 1904:20 Single Ambig)
&rst
ixpk= 1904, nxpk= 20, iat= -1, 736, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 714,1109,
&end
#
# 0 AMB 20-2:1905 46 VAL HA 5.50 (# 1905:20 Single Ambig)
&rst
ixpk= 1905, nxpk= 20, iat= -1, 736, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 48, 103,
&end
#
# 7 VAL HN 46 VAL HA 5.50 (# 1906:20 Unique 3.27, 3.55 A)
&rst
ixpk= 1906, nxpk= 20, iat= 101, 736, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:1907 48 CYS HA 5.50 (# 1907:20 Single Ambig)
&rst
ixpk= 1907, nxpk= 20, iat= -1, 773, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1154,1155,1156,1158,1159,1160, 107, 108, 109, 111,
112, 113,
&end
#
# 48 CYS HN 48 CYS HA 5.50 (# 1908:20 Unique 2.81, 2.91 A)
&rst
ixpk= 1908, nxpk= 20, iat= 771, 773, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 33 ILE QG2 31 GLU HA 5.50 (# 1909:20 Unique 3.54, 5.20 A)
&rst
ixpk= 1909, nxpk= 20, iat= -1, 502, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 545, 546, 547,
&end
#
# 34 ALA MB 31 GLU HA 5.50 (# 1910:20 Unique 2.55, 4.28 A)
&rst
ixpk= 1910, nxpk= 20, iat= -1, 502, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 562, 563, 564,
&end
#
# 0 AMB 20-2:1911 31 GLU HA 4.50 (# 1911:20 Single Ambig)
&rst
ixpk= 1911, nxpk= 20, iat= -1, 502, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 482, 483, 522, 523, 519, 520,
&end
#
# 33 ILE HN 31 GLU HA 5.50 (# 1912:20 Unique 4.25, 4.61 A)
&rst
ixpk= 1912, nxpk= 20, iat= 539, 502, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:1913 19 GLN HA 5.50 (# 1913:20 Single Ambig)
&rst
ixpk= 1913, nxpk= 20, iat= -1, 308, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 296, 297, 298, 300, 301, 302, 296, 297, 298, 300,
301, 302,
&end
#
# 83 VAL MGX 19 GLN HA 2.80 (# 1914:20 Unique 2.12, 4.62 A)
&rst
ixpk= 1914, nxpk= 20, iat= -1, 308, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1286,1287,1288,1290,1291,1292,
&end
#
# 83 VAL HB 19 GLN HA 4.50 (# 1915:20 Unique 3.55, 4.28 A)
&rst
ixpk= 1915, nxpk= 20, iat=1284, 308, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 18 VAL HA 19 GLN HA 5.50 (# 1916:20 Unique 4.30, 4.33 A)
&rst
ixpk= 1916, nxpk= 20, iat= 292, 308, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:1917 19 GLN HA 4.50 (# 1917:20 Single Ambig)
&rst
ixpk= 1917, nxpk= 20, iat= -1, 308, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 318, 319, 286,
&end
#
# 13 TYR HD 14 GLN HA 5.50 (# 1919:20 Unique 3.28, 4.98 A)
&rst
ixpk= 1919, nxpk= 20, iat= -1, 226, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 211, 220,
&end
#
# 85 GLY HN 14 GLN HA 5.50 (# 1920:20 Unique 3.13, 4.69 A)
&rst
ixpk= 1920, nxpk= 20, iat=1318, 226, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:1922 0 AMB 20-1:1922 5.50 (# 1922:20 Double Ambig)
&rst
ixpk= 1922, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 647, 648, 647, 648, 754, 755,
igr2= 636,1147,
&end
#
# 42 ASP HN 40 LYS HA 4.50 (# 1923:20 Unique 3.42, 4.17 A)
&rst
ixpk= 1923, nxpk= 20, iat= 670, 636, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 78 ILE QD1 47 TYR HA 5.50 (# 1924:20 Unique 4.13, 5.57 A)
&rst
ixpk= 1924, nxpk= 20, iat= -1, 752, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1211,1212,1213,
&end
#
# 0 AMB 20-2:1925 47 TYR HA 5.50 (# 1925:20 Single Ambig)
&rst
ixpk= 1925, nxpk= 20, iat= -1, 752, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 107, 108, 109, 111, 112, 113,1154,1155,1156,1158,
1159,1160,
&end
#
# 0 AMB 20-2:1926 47 TYR HA 5.50 (# 1926:20 Single Ambig)
&rst
ixpk= 1926, nxpk= 20, iat= -1, 752, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 740, 741, 742, 744, 745, 746,1154,1155,1156,1158,
1159,1160,
&end
#
# 0 AMB 20-2:1927 47 TYR HA 5.50 (# 1927:20 Single Ambig)
&rst
ixpk= 1927, nxpk= 20, iat= -1, 752, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 738, 124, 125,
&end
#
# 72 ALA HN 47 TYR HA 5.50 (# 1929:20 Unique 3.51, 4.02 A)
&rst
ixpk= 1929, nxpk= 20, iat=1121, 752, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 48 CYS HN 47 TYR HA 3.50 (# 1930:20 Unique 2.15, 2.26 A)
&rst
ixpk= 1930, nxpk= 20, iat= 771, 752, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 34 ALA MB 32 ARG HA 5.50 (# 1931:20 Unique 4.47, 5.55 A)
&rst
ixpk= 1931, nxpk= 20, iat= -1, 517, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 562, 563, 564,
&end
#
# 0 AMB 20-2:1932 32 ARG HA 4.50 (# 1932:20 Single Ambig)
&rst
ixpk= 1932, nxpk= 20, iat= -1, 517, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 504, 505, 504, 505,
&end
#
# 0 AMB 20-2:1933 32 ARG HA 5.50 (# 1933:20 Single Ambig)
&rst
ixpk= 1933, nxpk= 20, iat= -1, 517, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
igr1= 507, 508, 507, 508,1011,1012,1013,
&end
#
# 33 ILE HA 32 ARG HA 5.50 (# 1934:20 Unique 4.81, 4.86 A)
&rst
ixpk= 1934, nxpk= 20, iat= 541, 517, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 35 THR HB 32 ARG HA 4.50 (# 1935:20 Unique 2.94, 3.92 A)
&rst
ixpk= 1935, nxpk= 20, iat= 572, 517, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 35 THR HN 32 ARG HA 4.50 (# 1936:20 Unique 3.22, 3.51 A)
&rst
ixpk= 1936, nxpk= 20, iat= 568, 517, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:1937 4 TRP HA 4.50 (# 1937:20 Single Ambig)
&rst
ixpk= 1937, nxpk= 20, iat= -1, 48, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 722, 723, 702, 703, 704, 706, 707, 708,
&end
#
# 4 TRP HE3 4 TRP HA 4.50 (# 1938:20 Unique 2.58, 3.01 A)
&rst
ixpk= 1938, nxpk= 20, iat= 65, 48, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 7 VAL MGX 8 ARG HA 5.50 (# 1939:20 Unique 3.11, 5.35 A)
&rst
ixpk= 1939, nxpk= 20, iat= -1, 119, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 107, 108, 109, 111, 112, 113,
&end
#
# 9 VAL MGY 8 ARG HA 4.50 (# 1940:20 Unique 3.86, 5.04 A)
&rst
ixpk= 1940, nxpk= 20, iat= -1, 119, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 147, 148, 149, 151, 152, 153,
&end
#
# 8 ARG HD+ 8 ARG HA 5.50 (# 1941:20 Unique 3.10, 4.50 A)
&rst
ixpk= 1941, nxpk= 20, iat= -1, 119, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 127, 128,
&end
#
# 8 ARG HD- 8 ARG HA 5.50 (# 1942:20 Unique 3.10, 4.50 A)
&rst
ixpk= 1942, nxpk= 20, iat= -1, 119, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 127, 128,
&end
#
# 53 GLN HB+ 8 ARG HA 5.50 (# 1943:20 Unique 2.76, 4.54 A)
&rst
ixpk= 1943, nxpk= 20, iat= -1, 119, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 841, 842,
&end
#
# 8 ARG HE 8 ARG HA 5.50 (# 1945:20 Unique 3.12, 4.74 A)
&rst
ixpk= 1945, nxpk= 20, iat= 130, 119, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 24 ILE QG2 28 GLU HA 5.50 (# 1946:20 Unique 4.00, 5.23 A)
&rst
ixpk= 1946, nxpk= 20, iat= -1, 449, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 379, 380, 381,
&end
#
# 85 GLY HA- 84 LYS HA 5.50 (# 1947:20 Unique 4.30, 4.42 A)
&rst
ixpk= 1947, nxpk= 20, iat= -1,1298, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1320,1321,
&end
#
# 3 HIS HD2 42 ASP HA 5.50 (# 1948:20 Unique 5.04, 5.40 A)
&rst
ixpk= 1948, nxpk= 20, iat= 42, 672, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 41 ASN HN 42 ASP HA 5.50 (# 1949:20 Unique 4.26, 4.71 A)
&rst
ixpk= 1949, nxpk= 20, iat= 656, 672, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:1950 45 LYS HA 4.50 (# 1950:20 Single Ambig)
&rst
ixpk= 1950, nxpk= 20, iat= -1, 714, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1121, 70,
&end
#
# 61 LEU MDY 57 ALA HA 5.50 (# 1951:20 Unique 3.46, 5.57 A)
&rst
ixpk= 1951, nxpk= 20, iat= -1, 891, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 964, 965, 966, 968, 969, 970,
&end
#
# 60 ILE HG1+ 57 ALA HA 4.50 (# 1952:20 Unique 2.77, 3.97 A)
&rst
ixpk= 1952, nxpk= 20, iat= -1, 891, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 946, 947,
&end
#
# 0 AMB 20-2:1953 57 ALA HA 5.50 (# 1953:20 Single Ambig)
&rst
ixpk= 1953, nxpk= 20, iat= -1, 891, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 879, 880, 876, 877,
&end
#
# 0 AMB 20-2:1955 57 ALA HA 5.50 (# 1955:20 Single Ambig)
&rst
ixpk= 1955, nxpk= 20, iat= -1, 891, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 925, 926, 925, 926,
&end
#
# 0 AMB 20-2:1956 57 ALA HA 4.50 (# 1956:20 Single Ambig)
&rst
ixpk= 1956, nxpk= 20, iat= -1, 891, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 876, 877, 925, 926, 925, 926,
&end
#
# 59 GLU HN 57 ALA HA 5.50 (# 1957:20 Unique 3.67, 3.95 A)
&rst
ixpk= 1957, nxpk= 20, iat= 921, 891, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 4 TRP HN 3 HIS HA 2.80 (# 1958:20 Unique 2.20, 2.29 A)
&rst
ixpk= 1958, nxpk= 20, iat= 46, 31, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 33 ILE QD1 34 ALA HA 5.50 (# 1959:20 Unique 6.17, 6.66 A)
&rst
ixpk= 1959, nxpk= 20, iat= -1, 560, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 552, 553, 554,
&end
#
# 33 ILE HG1+ 34 ALA HA 5.50 (# 1960:20 Unique 4.16, 4.63 A)
&rst
ixpk= 1960, nxpk= 20, iat= -1, 560, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 549, 550,
&end
#
# 0 AMB 20-2:1961 34 ALA HA 4.50 (# 1961:20 Single Ambig)
&rst
ixpk= 1961, nxpk= 20, iat= -1, 560, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 615, 616, 596,
&end
#
# 38 PRO HB+ 34 ALA HA 5.50 (# 1962:20 Unique 4.35, 5.18 A)
&rst
ixpk= 1962, nxpk= 20, iat= -1, 560, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 615, 616,
&end
#
# 66 TYR HE 34 ALA HA 5.50 (# 1963:20 Unique 2.88, 4.58 A)
&rst
ixpk= 1963, nxpk= 20, iat= -1, 560, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1034,1039,
&end
#
# 36 ALA HN 34 ALA HA 4.50 (# 1964:20 Unique 4.50, 4.52 A)
&rst
ixpk= 1964, nxpk= 20, iat= 582, 560, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:1965 2 GLU HA 5.50 (# 1965:20 Single Ambig)
&rst
ixpk= 1965, nxpk= 20, iat= -1, 16, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 8, 9, 10, 598, 599, 600, 602, 603, 604,
&end
#
# 42 ASP HB+ 2 GLU HA 4.50 (# 1966:20 Unique 3.44, 4.74 A)
&rst
ixpk= 1966, nxpk= 20, iat= -1, 16, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 674, 675,
&end
#
# 43 THR MG2 68 HIS HA 5.50 (# 1967:20 Unique 4.94, 5.99 A)
&rst
ixpk= 1967, nxpk= 20, iat= -1,1061, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 688, 689, 690,
&end
#
# 0 AMB 20-2:1968 68 HIS HA 5.50 (# 1968:20 Single Ambig)
&rst
ixpk= 1968, nxpk= 20, iat= -1,1061, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1080,1096,1097,
&end
#
# 0 AMB 20-2:1969 68 HIS HA 4.50 (# 1969:20 Single Ambig)
&rst
ixpk= 1969, nxpk= 20, iat= -1,1061, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1047,1049,
&end
#
# 0 AMB 20-2:1970 0 AMB 20-1:1970 4.50 (# 1970:20 Double Ambig)
&rst
ixpk= 1970, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 310, 311,1168,1169,1208,1209,
igr2=1260,1188,
&end
#
# 78 ILE HN 77 ASP HA 4.50 (# 1971:20 Unique 2.78, 3.27 A)
&rst
ixpk= 1971, nxpk= 20, iat=1198,1188, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 77 ASP HN 77 ASP HA 4.50 (# 1972:20 Unique 2.76, 2.83 A)
&rst
ixpk= 1972, nxpk= 20, iat=1186,1188, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 19 GLN HN 82 LYS HA 4.50 (# 1973:20 Unique 2.45, 3.07 A)
&rst
ixpk= 1973, nxpk= 20, iat= 306,1260, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:1974 36 ALA HA 5.50 (# 1974:20 Single Ambig)
&rst
ixpk= 1974, nxpk= 20, iat= -1, 584, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 386, 387, 388, 83, 84, 85,
&end
#
# 38 PRO HD- 36 ALA HA 4.50 (# 1975:20 Unique 3.59, 4.23 A)
&rst
ixpk= 1975, nxpk= 20, iat= -1, 584, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 609, 610,
&end
#
# 38 PRO HD+ 36 ALA HA 5.50 (# 1976:20 Unique 3.59, 4.23 A)
&rst
ixpk= 1976, nxpk= 20, iat= -1, 584, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 609, 610,
&end
#
# 0 AMB 20-2:1977 36 ALA HA 5.50 (# 1977:20 Single Ambig)
&rst
ixpk= 1977, nxpk= 20, iat= -1, 584, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
igr1= 522, 523, 596, 519, 520, 615, 616,
&end
#
# 68 HIS HD2 41 ASN HA 4.50 (# 1978:20 Unique 1.96, 2.85 A)
&rst
ixpk= 1978, nxpk= 20, iat=1072, 658, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 67 THR HN 41 ASN HA 4.50 (# 1980:20 Unique 3.53, 4.30 A)
&rst
ixpk= 1980, nxpk= 20, iat=1045, 658, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 41 ASN HD2+ 41 ASN HA 4.50 (# 1981:20 Unique 2.17, 4.04 A)
&rst
ixpk= 1981, nxpk= 20, iat= -1, 658, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 665, 666,
&end
#
# 68 HIS HN 41 ASN HA 5.50 (# 1982:20 Unique 4.13, 5.18 A)
&rst
ixpk= 1982, nxpk= 20, iat=1059, 658, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 78 ILE QD1 72 ALA HA 5.50 (# 1983:20 Unique 4.41, 6.25 A)
&rst
ixpk= 1983, nxpk= 20, iat= -1,1123, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1211,1212,1213,
&end
#
# 0 AMB 20-2:1984 72 ALA HA 5.50 (# 1984:20 Single Ambig)
&rst
ixpk= 1984, nxpk= 20, iat= -1,1123, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1208,1209, 740, 741, 742, 744, 745, 746,
&end
#
# 70 GLU HB+ 72 ALA HA 5.50 (# 1985:20 Unique 4.61, 6.19 A)
&rst
ixpk= 1985, nxpk= 20, iat= -1,1123, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1096,1097,
&end
#
# 0 AMB 20-2:1986 72 ALA HA 4.50 (# 1986:20 Single Ambig)
&rst
ixpk= 1986, nxpk= 20, iat= -1,1123, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1099,1100,1099,1100,
&end
#
# 71 ASN HD2+ 72 ALA HA 5.50 (# 1987:20 Unique 5.36, 6.34 A)
&rst
ixpk= 1987, nxpk= 20, iat= -1,1123, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1116,1117,
&end
#
# 4 TRP HB- 21 ALA HA 2.80 (# 1989:20 Unique 2.15, 3.05 A)
&rst
ixpk= 1989, nxpk= 20, iat= -1, 332, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 50, 51,
&end
#
# 22 ILE HG1+ 21 ALA HA 4.50 (# 1990:20 Unique 3.21, 4.15 A)
&rst
ixpk= 1990, nxpk= 20, iat= -1, 332, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 350, 351,
&end
#
# 0 AMB 20-2:1991 1 ALA HA 4.50 (# 1991:20 Single Ambig)
&rst
ixpk= 1991, nxpk= 20, iat= -1, 6, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 18, 19, 18, 19,
&end
#
# 0 AMB 20-2:1992 1 ALA HA 5.50 (# 1992:20 Single Ambig)
&rst
ixpk= 1992, nxpk= 20, iat= -1, 6, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 21, 22, 21, 22,
&end
#
# 0 AMB 20-2:1993 6 ASP HA 4.50 (# 1993:20 Single Ambig)
&rst
ixpk= 1993, nxpk= 20, iat= -1, 91, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 124, 125, 334, 335, 336, 74,
&end
#
# 0 AMB 20-2:1994 6 ASP HA 4.50 (# 1994:20 Single Ambig)
&rst
ixpk= 1994, nxpk= 20, iat= -1, 91, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 72, 275,
&end
#
# 8 ARG HN 6 ASP HA 5.50 (# 1996:20 Unique 3.10, 3.20 A)
&rst
ixpk= 1996, nxpk= 20, iat= 117, 91, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:1997 0 AMB 20-1:1997 5.50 (# 1997:20 Double Ambig)
&rst
ixpk= 1997, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
igr1= 76, 77, 78, 722, 723,
igr2= 361,1109,
&end
#
# 23 ASN HD2+ 23 ASN HA 4.50 (# 1998:20 Unique 1.98, 2.91 A)
&rst
ixpk= 1998, nxpk= 20, iat= -1, 361, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 368, 369,
&end
#
# 80 MET HB- 79 ALA HA 5.50 (# 1999:20 Unique 4.59, 5.48 A)
&rst
ixpk= 1999, nxpk= 20, iat= -1,1219, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1231,1232,
&end
#
# 0 AMB 20-2:2000 79 ALA HA 5.50 (# 2000:20 Single Ambig)
&rst
ixpk= 2000, nxpk= 20, iat= -1,1219, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1271,1272,1190,1191,
&end
#
# 10 PRO HA 0 AMB 20-1:2001 4.50 (# 2001:20 Single Ambig)
&rst
ixpk= 2001, nxpk= 20, iat= 167, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 158, 159, 158, 159,
&end
#
# 10 PRO HA 0 AMB 20-1:2002 4.50 (# 2002:20 Single Ambig)
&rst
ixpk= 2002, nxpk= 20, iat= 167, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 158, 159, 158, 159,
&end
#
# 0 AMB 20-2:2004 81 PRO HD- 4.50 (# 2004:20 Single Ambig)
&rst
ixpk= 2004, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 296, 297, 298, 300, 301, 302, 296, 297, 298, 300,
301, 302,
igr2=1245,1246,
&end
#
# 0 AMB 20-2:2005 0 AMB 20-1:2005 5.50 (# 2005:20 Double Ambig)
&rst
ixpk= 2005, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1= 296, 297, 298, 300, 301, 302, 296, 297, 298, 300,
301, 302,
igr2=1245,1246,1245,1246,
&end
#
# 81 PRO HA 81 PRO HD- 4.50 (# 2006:20 Unique 3.60, 3.85 A)
&rst
ixpk= 2006, nxpk= 20, iat=1254, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1245,1246,
&end
#
# 80 MET HN 81 PRO HD+ 5.50 (# 2009:20 Unique 4.77, 4.88 A)
&rst
ixpk= 2009, nxpk= 20, iat=1227, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1245,1246,
&end
#
# 80 MET HN 81 PRO HD- 5.50 (# 2010:20 Unique 4.77, 4.88 A)
&rst
ixpk= 2010, nxpk= 20, iat=1227, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1245,1246,
&end
#
# 37 VAL MGX 38 PRO HD- 4.50 (# 2011:20 Unique 3.70, 5.29 A)
&rst
ixpk= 2011, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 598, 599, 600, 602, 603, 604,
igr2= 609, 610,
&end
#
# 0 AMB 20-2:2012 0 AMB 20-1:2012 5.50 (# 2012:20 Double Ambig)
&rst
ixpk= 2012, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.80, r4=10.55,
igr1= 468, 469, 470, 472, 473, 474, 383, 384,
igr2= 393, 394, 393, 394,
&end
#
# 0 AMB 20-2:2013 25 PRO HD- 4.50 (# 2013:20 Single Ambig)
&rst
ixpk= 2013, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 468, 469, 470, 472, 473, 474, 383, 384,
igr2= 393, 394,
&end
#
# 23 ASN HD2- 25 PRO HD- 5.50 (# 2016:20 Unique 2.27, 4.29 A)
&rst
ixpk= 2016, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 368, 369,
igr2= 393, 394,
&end
#
# 23 ASN HD2+ 25 PRO HD- 5.50 (# 2017:20 Unique 2.27, 4.29 A)
&rst
ixpk= 2017, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 368, 369,
igr2= 393, 394,
&end
#
# 0 AMB 20-2:2018 25 PRO HD- 4.50 (# 2018:20 Single Ambig)
&rst
ixpk= 2018, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 373, 462,
igr2= 393, 394,
&end
#
# 0 AMB 20-2:2019 0 AMB 20-1:2019 5.50 (# 2019:20 Double Ambig)
&rst
ixpk= 2019, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 373, 462,
igr2= 393, 394, 393, 394,
&end
#
# 39 ASP HN 38 PRO HD- 4.50 (# 2020:20 Unique 2.65, 3.31 A)
&rst
ixpk= 2020, nxpk= 20, iat= 622, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 609, 610,
&end
#
# 37 VAL MGX 38 PRO HD+ 4.50 (# 2021:20 Unique 3.70, 5.29 A)
&rst
ixpk= 2021, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 598, 599, 600, 602, 603, 604,
igr2= 609, 610,
&end
#
# 0 AMB 20-2:2023 38 PRO HD- 5.50 (# 2023:20 Single Ambig)
&rst
ixpk= 2023, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
igr1= 586, 587, 588, 549, 550,
igr2= 609, 610,
&end
#
# 0 AMB 20-2:2024 0 AMB 20-1:2024 5.50 (# 2024:20 Double Ambig)
&rst
ixpk= 2024, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.06, r4= 9.81,
igr1= 586, 587, 588, 549, 550,
igr2= 609, 610, 609, 610,
&end
#
# 36 ALA HA 38 PRO HD+ 4.50 (# 2025:20 Unique 3.59, 4.23 A)
&rst
ixpk= 2025, nxpk= 20, iat= 584, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 609, 610,
&end
#
# 36 ALA HA 38 PRO HD- 4.50 (# 2026:20 Unique 3.59, 4.23 A)
&rst
ixpk= 2026, nxpk= 20, iat= 584, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 609, 610,
&end
#
# 46 VAL MGX 55 GLY HA- 5.50 (# 2029:20 Unique 4.01, 7.36 A)
&rst
ixpk= 2029, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 740, 741, 742, 744, 745, 746,
igr2= 867, 868,
&end
#
# 58 LYS HB- 55 GLY HA+ 5.50 (# 2030:20 Unique 2.57, 4.21 A)
&rst
ixpk= 2030, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 903, 904,
igr2= 867, 868,
&end
#
# 58 LYS HD+ 55 GLY HA- 5.50 (# 2031:20 Unique 3.70, 6.11 A)
&rst
ixpk= 2031, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 909, 910,
igr2= 867, 868,
&end
#
# 56 GLN HB+ 55 GLY HA+ 4.50 (# 2032:20 Unique 4.66, 5.60 A)
&rst
ixpk= 2032, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 876, 877,
igr2= 867, 868,
&end
#
# 71 ASN HB+ 55 GLY HA- 5.50 (# 2033:20 Unique 3.49, 5.48 A)
&rst
ixpk= 2033, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1111,1112,
igr2= 867, 868,
&end
#
# 71 ASN HD2- 55 GLY HA+ 4.50 (# 2034:20 Unique 1.95, 3.78 A)
&rst
ixpk= 2034, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1116,1117,
igr2= 867, 868,
&end
#
# 0 AMB 20-2:2036 0 AMB 20-1:2036 5.50 (# 2036:20 Double Ambig)
&rst
ixpk= 2036, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 899, 889,
igr2= 867, 868, 867, 868,
&end
#
# 58 LYS HN 55 GLY HA- 4.50 (# 2037:20 Unique 3.28, 4.24 A)
&rst
ixpk= 2037, nxpk= 20, iat= 899, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 867, 868,
&end
#
# 0 AMB 20-2:2038 0 AMB 20-1:2038 5.50 (# 2038:20 Double Ambig)
&rst
ixpk= 2038, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=1306,1307,1306,1307,1300,1301,
igr2=1320,1321,1320,1321,1320,1321,
&end
#
# 84 LYS HB+ 85 GLY HA+ 5.50 (# 2039:20 Unique 4.19, 4.86 A)
&rst
ixpk= 2039, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1300,1301,
igr2=1320,1321,
&end
#
# 0 AMB 20-2:2040 85 GLY HA- 5.50 (# 2040:20 Single Ambig)
&rst
ixpk= 2040, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1306,1307,1306,1307,1300,1301,
igr2=1320,1321,
&end
#
# 0 AMB 20-2:2041 85 GLY HA- 5.50 (# 2041:20 Single Ambig)
&rst
ixpk= 2041, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 231, 232, 231, 232,
igr2=1320,1321,
&end
#
# 0 AMB 20-2:2042 0 AMB 20-1:2042 5.50 (# 2042:20 Double Ambig)
&rst
ixpk= 2042, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 231, 232, 231, 232,
igr2=1320,1321,1320,1321,
&end
#
# 84 LYS HA 85 GLY HA- 4.50 (# 2043:20 Unique 4.30, 4.42 A)
&rst
ixpk= 2043, nxpk= 20, iat=1298, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1320,1321,
&end
#
# 84 LYS HA 85 GLY HA+ 4.50 (# 2044:20 Unique 4.30, 4.42 A)
&rst
ixpk= 2044, nxpk= 20, iat=1298, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1320,1321,
&end
#
# 47 TYR HA 73 GLY HA- 5.50 (# 2046:20 Unique 4.10, 4.82 A)
&rst
ixpk= 2046, nxpk= 20, iat= 752, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1133,1134,
&end
#
# 71 ASN HD2- 0 AMB 20-1:2047 5.50 (# 2047:20 Single Ambig)
&rst
ixpk= 2047, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1116,1117,
igr2=1133,1134, 808, 809,
&end
#
# 51 GLY HN 51 GLY HA- 4.50 (# 2048:20 Unique 2.30, 2.75 A)
&rst
ixpk= 2048, nxpk= 20, iat= 806, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 808, 809,
&end
#
# 72 ALA HN 73 GLY HA- 5.50 (# 2049:20 Unique 4.27, 4.85 A)
&rst
ixpk= 2049, nxpk= 20, iat=1121, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1133,1134,
&end
#
# 71 ASN HD2- 51 GLY HA+ 5.50 (# 2052:20 Unique 4.15, 6.76 A)
&rst
ixpk= 2052, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1116,1117,
igr2= 808, 809,
&end
#
# 52 ARG HN 51 GLY HA+ 5.50 (# 2053:20 Unique 2.14, 3.01 A)
&rst
ixpk= 2053, nxpk= 20, iat= 813, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 808, 809,
&end
#
# 51 GLY HN 51 GLY HA+ 5.50 (# 2054:20 Unique 2.30, 2.75 A)
&rst
ixpk= 2054, nxpk= 20, iat= 806, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 808, 809,
&end
#
# 19 GLN HG+ 20 GLY HA- 5.50 (# 2055:20 Unique 3.80, 5.26 A)
&rst
ixpk= 2055, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 313, 314,
igr2= 325, 326,
&end
#
# 19 GLN HG+ 20 GLY HA+ 5.50 (# 2056:20 Unique 3.80, 5.26 A)
&rst
ixpk= 2056, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 313, 314,
igr2= 325, 326,
&end
#
# 20 GLY HN 20 GLY HA+ 4.50 (# 2057:20 Unique 2.30, 2.68 A)
&rst
ixpk= 2057, nxpk= 20, iat= 323, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 325, 326,
&end
#
# 0 AMB 20-2:2058 65 GLY HA- 5.50 (# 2058:20 Single Ambig)
&rst
ixpk= 2058, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 647, 648, 647, 648,
igr2=1019,1020,
&end
#
# 0 AMB 20-2:2059 0 AMB 20-1:2059 4.50 (# 2059:20 Double Ambig)
&rst
ixpk= 2059, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 647, 648, 647, 648,
igr2=1019,1020,1019,1020,
&end
#
# 0 AMB 20-2:2060 74 GLY HA- 5.50 (# 2060:20 Single Ambig)
&rst
ixpk= 2060, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1171,1172,1171,1172,
igr2=1140,1141,
&end
#
# 0 AMB 20-2:2061 74 GLY HA- 4.50 (# 2061:20 Single Ambig)
&rst
ixpk= 2061, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1149,1150, 800, 801, 802,
igr2=1140,1141,
&end
#
# 0 AMB 20-2:2062 0 AMB 20-1:2062 5.50 (# 2062:20 Double Ambig)
&rst
ixpk= 2062, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.06, r4= 9.81,
igr1=1149,1150, 800, 801, 802,
igr2=1140,1141,1140,1141,
&end
#
# 75 LEU HB+ 74 GLY HA+ 5.50 (# 2063:20 Unique 4.28, 5.12 A)
&rst
ixpk= 2063, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1149,1150,
igr2=1140,1141,
&end
#
# 75 LEU HB+ 74 GLY HA- 5.50 (# 2064:20 Unique 4.28, 5.12 A)
&rst
ixpk= 2064, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1149,1150,
igr2=1140,1141,
&end
#
# 49 ASN HA 74 GLY HA+ 5.50 (# 2065:20 Unique 2.37, 4.35 A)
&rst
ixpk= 2065, nxpk= 20, iat= 784, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1140,1141,
&end
#
# 49 ASN HA 74 GLY HA- 5.50 (# 2066:20 Unique 2.37, 4.35 A)
&rst
ixpk= 2066, nxpk= 20, iat= 784, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1140,1141,
&end
#
# 76 LYS HN 74 GLY HA- 5.50 (# 2067:20 Unique 3.11, 4.06 A)
&rst
ixpk= 2067, nxpk= 20, iat=1164, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1140,1141,
&end
#
# 76 LYS HN 74 GLY HA+ 5.50 (# 2068:20 Unique 3.11, 4.06 A)
&rst
ixpk= 2068, nxpk= 20, iat=1164, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1140,1141,
&end
#
# 49 ASN HA 8 ARG HD- 5.50 (# 2071:20 Unique 2.73, 5.40 A)
&rst
ixpk= 2071, nxpk= 20, iat= 784, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 127, 128,
&end
#
# 12 GLN HE2+ 8 ARG HD- 4.50 (# 2074:20 Unique 2.11, 4.75 A)
&rst
ixpk= 2074, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 198, 199,
igr2= 127, 128,
&end
#
# 12 GLN HN 8 ARG HD- 4.50 (# 2075:20 Unique 3.66, 4.79 A)
&rst
ixpk= 2075, nxpk= 20, iat= 186, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 127, 128,
&end
#
# 13 TYR HN 8 ARG HD+ 4.50 (# 2076:20 Unique 3.03, 4.60 A)
&rst
ixpk= 2076, nxpk= 20, iat= 203, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 127, 128,
&end
#
# 12 GLN HN 8 ARG HD+ 4.50 (# 2077:20 Unique 3.66, 4.79 A)
&rst
ixpk= 2077, nxpk= 20, iat= 186, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 127, 128,
&end
#
# 0 AMB 20-2:2078 0 AMB 20-1:2078 4.50 (# 2078:20 Double Ambig)
&rst
ixpk= 2078, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 791, 792, 141,
igr2= 127, 128, 127, 128,
&end
#
# 9 VAL HN 8 ARG HD- 5.50 (# 2079:20 Unique 2.32, 4.27 A)
&rst
ixpk= 2079, nxpk= 20, iat= 141, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 127, 128,
&end
#
# 8 ARG HE 8 ARG HD- 4.50 (# 2080:20 Unique 2.28, 2.69 A)
&rst
ixpk= 2080, nxpk= 20, iat= 130, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 127, 128,
&end
#
# 8 ARG HE 8 ARG HD+ 4.50 (# 2081:20 Unique 2.28, 2.69 A)
&rst
ixpk= 2081, nxpk= 20, iat= 130, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 127, 128,
&end
#
# 24 ILE HG1+ 32 ARG HD+ 5.50 (# 2082:20 Unique 2.84, 5.88 A)
&rst
ixpk= 2082, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 383, 384,
igr2= 525, 526,
&end
#
# 24 ILE HG1+ 32 ARG HD- 5.50 (# 2083:20 Unique 2.84, 5.88 A)
&rst
ixpk= 2083, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 383, 384,
igr2= 525, 526,
&end
#
# 28 GLU HG- 32 ARG HD- 4.50 (# 2084:20 Unique 2.55, 4.67 A)
&rst
ixpk= 2084, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 454, 455,
igr2= 525, 526,
&end
#
# 28 GLU HG- 32 ARG HD+ 4.50 (# 2085:20 Unique 2.55, 4.67 A)
&rst
ixpk= 2085, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 454, 455,
igr2= 525, 526,
&end
#
# 24 ILE HA 32 ARG HD- 5.50 (# 2087:20 Unique 4.08, 5.54 A)
&rst
ixpk= 2087, nxpk= 20, iat= 375, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 525, 526,
&end
#
# 32 ARG HN 32 ARG HD+ 5.50 (# 2088:20 Unique 3.81, 5.06 A)
&rst
ixpk= 2088, nxpk= 20, iat= 515, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 525, 526,
&end
#
# 32 ARG HN 32 ARG HD- 5.50 (# 2089:20 Unique 3.81, 5.06 A)
&rst
ixpk= 2089, nxpk= 20, iat= 515, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 525, 526,
&end
#
# 23 ASN HB- 6 ASP HB+ 5.50 (# 2090:20 Unique 4.27, 6.14 A)
&rst
ixpk= 2090, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 363, 364,
igr2= 93, 94,
&end
#
# 5 ILE QG2 6 ASP HB+ 5.50 (# 2091:20 Unique 4.27, 5.86 A)
&rst
ixpk= 2091, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 76, 77, 78,
igr2= 93, 94,
&end
#
# 0 AMB 20-2:2092 0 AMB 20-1:2092 4.50 (# 2092:20 Double Ambig)
&rst
ixpk= 2092, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 124, 125, 334, 335, 336,
igr2= 93, 94, 93, 94,
&end
#
# 23 ASN HD2- 6 ASP HB+ 4.50 (# 2093:20 Unique 2.78, 5.42 A)
&rst
ixpk= 2093, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 368, 369,
igr2= 93, 94,
&end
#
# 23 ASN HD2- 6 ASP HB- 5.50 (# 2094:20 Unique 2.78, 5.42 A)
&rst
ixpk= 2094, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 368, 369,
igr2= 93, 94,
&end
#
# 47 TYR HE 6 ASP HB+ 5.50 (# 2095:20 Unique 2.32, 4.68 A)
&rst
ixpk= 2095, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 760, 765,
igr2= 93, 94,
&end
#
# 13 TYR HD 6 ASP HB+ 5.50 (# 2096:20 Unique 2.09, 5.28 A)
&rst
ixpk= 2096, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 211, 220,
igr2= 93, 94,
&end
#
# 47 TYR HE 6 ASP HB- 4.50 (# 2097:20 Unique 2.32, 4.68 A)
&rst
ixpk= 2097, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 760, 765,
igr2= 93, 94,
&end
#
# 0 AMB 20-2:2098 6 ASP HB- 4.50 (# 2098:20 Single Ambig)
&rst
ixpk= 2098, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 211, 220, 760, 765,
igr2= 93, 94,
&end
#
# 24 ILE HN 6 ASP HB- 4.50 (# 2099:20 Unique 2.45, 3.90 A)
&rst
ixpk= 2099, nxpk= 20, iat= 373, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 93, 94,
&end
#
# 4 TRP HE3 47 TYR HB+ 3.50 (# 2103:20 Unique 3.51, 4.28 A)
&rst
ixpk= 2103, nxpk= 20, iat= 65, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 754, 755,
&end
#
# 4 TRP HE3 47 TYR HB- 4.50 (# 2104:20 Unique 3.51, 4.28 A)
&rst
ixpk= 2104, nxpk= 20, iat= 65, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 754, 755,
&end
#
# 47 TYR HD 47 TYR HB- 4.50 (# 2105:20 Unique 2.31, 3.05 A)
&rst
ixpk= 2105, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 758, 767,
igr2= 754, 755,
&end
#
# 26 LEU MDY 26 LEU HB+ 3.50 (# 2106:20 Unique 2.05, 3.28 A)
&rst
ixpk= 2106, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 415, 416, 417, 419, 420, 421,
igr2= 410, 411,
&end
#
# 53 GLN HE2+ 26 LEU HB+ 4.50 (# 2107:20 Unique 2.77, 4.99 A)
&rst
ixpk= 2107, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 849, 850,
igr2= 410, 411,
&end
#
# 7 VAL MGX 26 LEU HB- 4.50 (# 2108:20 Unique 2.66, 5.47 A)
&rst
ixpk= 2108, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 107, 108, 109, 111, 112, 113,
igr2= 410, 411,
&end
#
# 0 AMB 20-2:2109 26 LEU HB- 5.50 (# 2109:20 Single Ambig)
&rst
ixpk= 2109, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 775, 776, 393, 394,
igr2= 410, 411,
&end
#
# 27 LYS HN 26 LEU HB- 4.50 (# 2110:20 Unique 1.93, 3.28 A)
&rst
ixpk= 2110, nxpk= 20, iat= 425, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 410, 411,
&end
#
# 7 VAL MGY 26 LEU HB- 5.50 (# 2111:20 Unique 2.66, 5.47 A)
&rst
ixpk= 2111, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 107, 108, 109, 111, 112, 113,
igr2= 410, 411,
&end
#
# 0 AMB 20-2:2112 82 LYS HE- 2.80 (# 2112:20 Single Ambig)
&rst
ixpk= 2112, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1152,1268,1269,1202,
igr2=1271,1272,
&end
#
# 0 AMB 20-2:2113 0 AMB 20-1:2113 2.80 (# 2113:20 Double Ambig)
&rst
ixpk= 2113, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1265,1266,1268,1269,
igr2=1271,1272,1271,1272,
&end
#
# 0 AMB 20-2:2114 0 AMB 20-1:2114 2.80 (# 2114:20 Double Ambig)
&rst
ixpk= 2114, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1152,1268,1269,1202,
igr2=1271,1272,1271,1272,1271,1272,
&end
#
# 80 MET HN 82 LYS HE- 5.50 (# 2115:20 Unique 3.06, 4.17 A)
&rst
ixpk= 2115, nxpk= 20, iat=1227, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1271,1272,
&end
#
# 78 ILE HN 82 LYS HE+ 5.50 (# 2116:20 Unique 3.58, 5.19 A)
&rst
ixpk= 2116, nxpk= 20, iat=1198, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1271,1272,
&end
#
# 78 ILE HN 82 LYS HE- 5.50 (# 2117:20 Unique 3.58, 5.19 A)
&rst
ixpk= 2117, nxpk= 20, iat=1198, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1271,1272,
&end
#
# 77 ASP HN 77 ASP HB+ 3.50 (# 2118:20 Unique 2.07, 3.00 A)
&rst
ixpk= 2118, nxpk= 20, iat=1186, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1190,1191,
&end
#
# 0 AMB 20-2:2119 0 AMB 20-1:2119 4.50 (# 2119:20 Double Ambig)
&rst
ixpk= 2119, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.82, r4=10.57,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088, 740, 741, 742, 744, 745, 746,
igr2= 912, 913, 912, 913, 912, 913,
&end
#
# 0 AMB 20-2:2120 58 LYS HE- 4.50 (# 2120:20 Single Ambig)
&rst
ixpk= 2120, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088, 740, 741, 742, 744, 745, 746,
igr2= 912, 913,
&end
#
# 69 VAL HB 58 LYS HE+ 4.50 (# 2121:20 Unique 2.13, 4.15 A)
&rst
ixpk= 2121, nxpk= 20, iat=1080, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 912, 913,
&end
#
# 0 AMB 20-2:2122 0 AMB 20-1:2122 4.50 (# 2122:20 Double Ambig)
&rst
ixpk= 2122, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.82, r4=10.57,
igr1=1080, 429, 430, 429, 430, 396, 397,1168,1169,
igr2= 912, 913, 912, 913, 438, 439, 438, 439, 438, 439,
1177,1178,
&end
#
# 70 GLU HA 58 LYS HE+ 5.50 (# 2123:20 Unique 2.00, 3.72 A)
&rst
ixpk= 2123, nxpk= 20, iat=1094, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 912, 913,
&end
#
# 70 GLU HA 0 AMB 20-1:2124 5.50 (# 2124:20 Single Ambig)
&rst
ixpk= 2124, nxpk= 20, iat=1094, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 912, 913, 912, 913,
&end
#
# 0 AMB 20-2:2127 0 AMB 20-1:2127 5.50 (# 2127:20 Double Ambig)
&rst
ixpk= 2127, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 638, 639, 638, 639,
igr2= 647, 648, 647, 648,
&end
#
# 0 AMB 20-2:2128 0 AMB 20-1:2128 4.50 (# 2128:20 Double Ambig)
&rst
ixpk= 2128, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1019,1020,1019,1020,
igr2= 647, 648, 647, 648,
&end
#
# 40 LYS HA 0 AMB 20-1:2129 4.50 (# 2129:20 Single Ambig)
&rst
ixpk= 2129, nxpk= 20, iat= 636, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 647, 648, 647, 648,
&end
#
# 0 AMB 20-2:2130 0 AMB 20-1:2130 5.50 (# 2130:20 Double Ambig)
&rst
ixpk= 2130, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1026, 624,
igr2= 647, 648, 647, 648, 647, 648,
&end
#
# 40 LYS HN 0 AMB 20-1:2131 5.50 (# 2131:20 Single Ambig)
&rst
ixpk= 2131, nxpk= 20, iat= 634, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 647, 648, 647, 648,
&end
#
# 70 GLU HB+ 45 LYS HE+ 5.50 (# 2133:20 Unique 2.21, 4.11 A)
&rst
ixpk= 2133, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1096,1097,
igr2= 725, 726,
&end
#
# 0 AMB 20-2:2134 45 LYS HE- 5.50 (# 2134:20 Single Ambig)
&rst
ixpk= 2134, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 21, 22, 21, 22,
igr2= 725, 726,
&end
#
# 70 GLU HB+ 45 LYS HE- 5.50 (# 2135:20 Unique 2.21, 4.11 A)
&rst
ixpk= 2135, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1096,1097,
igr2= 725, 726,
&end
#
# 70 GLU HB- 45 LYS HE- 5.50 (# 2136:20 Unique 2.21, 4.11 A)
&rst
ixpk= 2136, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1096,1097,
igr2= 725, 726,
&end
#
# 49 ASN HA 75 LEU HB+ 5.50 (# 2138:20 Unique 2.17, 4.39 A)
&rst
ixpk= 2138, nxpk= 20, iat= 784, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1149,1150,
&end
#
# 49 ASN HA 75 LEU HB- 5.50 (# 2139:20 Unique 2.17, 4.39 A)
&rst
ixpk= 2139, nxpk= 20, iat= 784, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1149,1150,
&end
#
# 47 TYR HE 75 LEU HB- 5.50 (# 2140:20 Unique 2.21, 6.88 A)
&rst
ixpk= 2140, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 760, 765,
igr2=1149,1150,
&end
#
# 76 LYS HN 75 LEU HB- 5.50 (# 2142:20 Unique 2.25, 3.65 A)
&rst
ixpk= 2142, nxpk= 20, iat=1164, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1149,1150,
&end
#
# 0 AMB 20-2:2143 0 AMB 20-1:2143 5.50 (# 2143:20 Double Ambig)
&rst
ixpk= 2143, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 21, 22, 21, 22,
igr2= 725, 726, 725, 726,
&end
#
# 74 GLY HN 77 ASP HB- 5.50 (# 2144:20 Unique 2.67, 4.29 A)
&rst
ixpk= 2144, nxpk= 20, iat=1138, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1190,1191,
&end
#
# 0 AMB 20-2:2145 77 ASP HB- 5.50 (# 2145:20 Single Ambig)
&rst
ixpk= 2145, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1208,1209,1168,1169,
igr2=1190,1191,
&end
#
# 77 ASP HA 77 ASP HB- 3.50 (# 2146:20 Unique 2.40, 2.81 A)
&rst
ixpk= 2146, nxpk= 20, iat=1188, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1190,1191,
&end
#
# 44 VAL MGY 42 ASP HB+ 4.50 (# 2147:20 Unique 3.78, 6.67 A)
&rst
ixpk= 2147, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 702, 703, 704, 706, 707, 708,
igr2= 674, 675,
&end
#
# 44 VAL MGY 42 ASP HB- 4.50 (# 2148:20 Unique 3.78, 6.67 A)
&rst
ixpk= 2148, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 702, 703, 704, 706, 707, 708,
igr2= 674, 675,
&end
#
# 39 ASP HA 39 ASP HB+ 3.50 (# 2149:20 Unique 2.40, 2.82 A)
&rst
ixpk= 2149, nxpk= 20, iat= 624, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 626, 627,
&end
#
# 41 ASN HD2- 0 AMB 20-1:2151 5.50 (# 2151:20 Single Ambig)
&rst
ixpk= 2151, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 665, 666,
igr2= 626, 627, 674, 675,
&end
#
# 3 HIS HD2 42 ASP HB+ 4.50 (# 2152:20 Unique 2.55, 3.15 A)
&rst
ixpk= 2152, nxpk= 20, iat= 42, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 674, 675,
&end
#
# 42 ASP HN 42 ASP HB- 3.50 (# 2153:20 Unique 2.14, 3.08 A)
&rst
ixpk= 2153, nxpk= 20, iat= 670, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 674, 675,
&end
#
# 41 ASN HN 39 ASP HB+ 4.50 (# 2154:20 Unique 2.22, 3.26 A)
&rst
ixpk= 2154, nxpk= 20, iat= 656, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 626, 627,
&end
#
# 0 AMB 20-2:2156 39 ASP HB- 4.50 (# 2156:20 Single Ambig)
&rst
ixpk= 2156, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 612, 613, 612, 613,
igr2= 626, 627,
&end
#
# 0 AMB 20-2:2157 0 AMB 20-1:2157 5.50 (# 2157:20 Double Ambig)
&rst
ixpk= 2157, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 612, 613, 612, 613,
igr2= 626, 627, 626, 627,
&end
#
# 42 ASP HN 39 ASP HB- 5.50 (# 2158:20 Unique 2.04, 3.49 A)
&rst
ixpk= 2158, nxpk= 20, iat= 670, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 626, 627,
&end
#
# 0 AMB 20-2:2159 39 ASP HB- 4.50 (# 2159:20 Single Ambig)
&rst
ixpk= 2159, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 634, 665, 666,
igr2= 626, 627,
&end
#
# 0 AMB 20-2:2160 0 AMB 20-1:2160 5.50 (# 2160:20 Double Ambig)
&rst
ixpk= 2160, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 634, 665, 666,
igr2= 626, 627, 626, 627, 674, 675,
&end
#
# 41 ASN HN 39 ASP HB- 5.50 (# 2161:20 Unique 2.22, 3.26 A)
&rst
ixpk= 2161, nxpk= 20, iat= 656, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 626, 627,
&end
#
# 66 TYR HB+ 61 LEU HB+ 5.50 (# 2162:20 Unique 2.79, 4.43 A)
&rst
ixpk= 2162, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1028,1029,
igr2= 959, 960,
&end
#
# 61 LEU HG 61 LEU HB- 3.50 (# 2164:20 Unique 2.51, 2.80 A)
&rst
ixpk= 2164, nxpk= 20, iat= 962, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 959, 960,
&end
#
# 0 AMB 20-2:2165 61 LEU HB- 4.50 (# 2165:20 Single Ambig)
&rst
ixpk= 2165, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 901, 891,
igr2= 959, 960,
&end
#
# 66 TYR HD 61 LEU HB- 5.50 (# 2166:20 Unique 2.00, 5.00 A)
&rst
ixpk= 2166, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1032,1041,
igr2= 959, 960,
&end
#
# 66 TYR HN 61 LEU HB- 5.50 (# 2167:20 Unique 4.59, 5.57 A)
&rst
ixpk= 2167, nxpk= 20, iat=1024, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 959, 960,
&end
#
# 62 SER HN 61 LEU HB- 4.50 (# 2169:20 Unique 2.43, 3.32 A)
&rst
ixpk= 2169, nxpk= 20, iat= 974, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 959, 960,
&end
#
# 0 AMB 20-2:2170 61 LEU HB- 5.50 (# 2170:20 Single Ambig)
&rst
ixpk= 2170, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 976,1026,
igr2= 959, 960,
&end
#
# 21 ALA HA 22 ILE HB 5.50 (# 2171:20 Unique 4.90, 5.00 A)
&rst
ixpk= 2171, nxpk= 20, iat= 332, 344, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:2172 0 AMB 20-1:2172 4.50 (# 2172:20 Double Ambig)
&rst
ixpk= 2172, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 791, 792, 670,
igr2= 786, 787, 660, 661,
&end
#
# 42 ASP HN 41 ASN HB- 5.50 (# 2173:20 Unique 2.66, 3.68 A)
&rst
ixpk= 2173, nxpk= 20, iat= 670, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 660, 661,
&end
#
# 41 ASN HD2- 41 ASN HB+ 4.50 (# 2174:20 Unique 2.12, 3.30 A)
&rst
ixpk= 2174, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 665, 666,
igr2= 660, 661,
&end
#
# 41 ASN HD2- 41 ASN HB- 4.50 (# 2175:20 Unique 2.12, 3.30 A)
&rst
ixpk= 2175, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 665, 666,
igr2= 660, 661,
&end
#
# 0 AMB 20-2:2176 0 AMB 20-1:2176 2.80 (# 2176:20 Double Ambig)
&rst
ixpk= 2176, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 658, 784,
igr2= 660, 661, 786, 787,
&end
#
# 0 AMB 20-2:2179 49 ASN HB- 5.50 (# 2179:20 Single Ambig)
&rst
ixpk= 2179, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.54, r4= 9.29,
igr1= 800, 801, 802, 820, 821,1149,1150,
igr2= 786, 787,
&end
#
# 0 AMB 20-2:2180 0 AMB 20-1:2180 5.50 (# 2180:20 Double Ambig)
&rst
ixpk= 2180, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.25, r4=11.00,
igr1= 800, 801, 802, 820, 821,1149,1150,
igr2= 786, 787, 786, 787, 786, 787,
&end
#
# 57 ALA HA 60 ILE HB 2.80 (# 2181:20 Unique 2.10, 2.55 A)
&rst
ixpk= 2181, nxpk= 20, iat= 891, 940, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 61 LEU HN 60 ILE HB 3.50 (# 2182:20 Unique 1.99, 2.38 A)
&rst
ixpk= 2182, nxpk= 20, iat= 955, 940, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 82 LYS HE+ 78 ILE HB 4.50 (# 2183:20 Unique 2.27, 3.74 A)
&rst
ixpk= 2183, nxpk= 20, iat= -1,1202, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1271,1272,
&end
#
# 77 ASP HN 78 ILE HB 5.50 (# 2185:20 Unique 3.80, 4.45 A)
&rst
ixpk= 2185, nxpk= 20, iat=1186,1202, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 78 ILE HA 78 ILE HB 3.50 (# 2186:20 Unique 3.02, 3.02 A)
&rst
ixpk= 2186, nxpk= 20, iat=1200,1202, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 13 TYR HB- 23 ASN HB- 5.50 (# 2187:20 Unique 4.87, 6.71 A)
&rst
ixpk= 2187, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 207, 208,
igr2= 363, 364,
&end
#
# 6 ASP HB+ 23 ASN HB- 5.50 (# 2188:20 Unique 4.27, 6.14 A)
&rst
ixpk= 2188, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 93, 94,
igr2= 363, 364,
&end
#
# 23 ASN HD2- 23 ASN HB+ 4.50 (# 2189:20 Unique 2.57, 3.51 A)
&rst
ixpk= 2189, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 368, 369,
igr2= 363, 364,
&end
#
# 23 ASN HD2- 23 ASN HB- 4.50 (# 2190:20 Unique 2.57, 3.51 A)
&rst
ixpk= 2190, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 368, 369,
igr2= 363, 364,
&end
#
# 23 ASN HD2+ 23 ASN HB+ 5.50 (# 2191:20 Unique 2.57, 3.51 A)
&rst
ixpk= 2191, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 368, 369,
igr2= 363, 364,
&end
#
# 24 ILE HN 23 ASN HB+ 5.50 (# 2192:20 Unique 4.25, 4.51 A)
&rst
ixpk= 2192, nxpk= 20, iat= 373, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 363, 364,
&end
#
# 23 ASN HD2+ 23 ASN HB- 5.50 (# 2193:20 Unique 2.57, 3.51 A)
&rst
ixpk= 2193, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 368, 369,
igr2= 363, 364,
&end
#
# 24 ILE HN 23 ASN HB- 4.50 (# 2194:20 Unique 4.25, 4.51 A)
&rst
ixpk= 2194, nxpk= 20, iat= 373, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 363, 364,
&end
#
# 22 ILE HA 23 ASN HB+ 5.50 (# 2195:20 Unique 4.11, 4.57 A)
&rst
ixpk= 2195, nxpk= 20, iat= 342, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 363, 364,
&end
#
# 22 ILE HA 23 ASN HB- 5.50 (# 2196:20 Unique 4.11, 4.57 A)
&rst
ixpk= 2196, nxpk= 20, iat= 342, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 363, 364,
&end
#
# 29 VAL HA 24 ILE HB 5.50 (# 2197:20 Unique 2.23, 2.96 A)
&rst
ixpk= 2197, nxpk= 20, iat= 464, 377, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:2198 24 ILE HB 4.50 (# 2198:20 Single Ambig)
&rst
ixpk= 2198, nxpk= 20, iat= -1, 377, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 462, 373,
&end
#
# 29 VAL HA 33 ILE HB 4.50 (# 2199:20 Unique 2.94, 3.52 A)
&rst
ixpk= 2199, nxpk= 20, iat= 464, 543, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 32 ARG HN 33 ILE HB 5.50 (# 2200:20 Unique 4.22, 4.52 A)
&rst
ixpk= 2200, nxpk= 20, iat= 515, 543, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 34 ALA HN 33 ILE HB 5.50 (# 2201:20 Unique 3.95, 3.96 A)
&rst
ixpk= 2201, nxpk= 20, iat= 558, 543, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:2202 0 AMB 20-1:2202 5.50 (# 2202:20 Double Ambig)
&rst
ixpk= 2202, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 399, 400, 228, 229, 228, 229,
igr2= 207, 208, 207, 208, 207, 208,
&end
#
# 14 GLN HE2- 13 TYR HB+ 5.50 (# 2203:20 Unique 3.85, 6.60 A)
&rst
ixpk= 2203, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 236, 237,
igr2= 207, 208,
&end
#
# 23 ASN HD2- 13 TYR HB- 5.50 (# 2205:20 Unique 2.27, 4.17 A)
&rst
ixpk= 2205, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 368, 369,
igr2= 207, 208,
&end
#
# 12 GLN HN 13 TYR HB+ 4.50 (# 2208:20 Unique 4.36, 4.63 A)
&rst
ixpk= 2208, nxpk= 20, iat= 186, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 207, 208,
&end
#
# 13 TYR HN 13 TYR HB- 3.50 (# 2209:20 Unique 2.23, 2.54 A)
&rst
ixpk= 2209, nxpk= 20, iat= 203, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 207, 208,
&end
#
# 71 ASN HD2- 71 ASN HB+ 4.50 (# 2210:20 Unique 2.52, 3.49 A)
&rst
ixpk= 2210, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1116,1117,
igr2=1111,1112,
&end
#
# 71 ASN HD2- 71 ASN HB- 4.50 (# 2211:20 Unique 2.52, 3.49 A)
&rst
ixpk= 2211, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1116,1117,
igr2=1111,1112,
&end
#
# 70 GLU HA 71 ASN HB- 5.50 (# 2212:20 Unique 4.07, 4.77 A)
&rst
ixpk= 2212, nxpk= 20, iat=1094, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1111,1112,
&end
#
# 70 GLU HA 71 ASN HB+ 5.50 (# 2213:20 Unique 4.07, 4.77 A)
&rst
ixpk= 2213, nxpk= 20, iat=1094, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1111,1112,
&end
#
# 0 AMB 20-2:2214 0 AMB 20-1:2214 5.50 (# 2214:20 Double Ambig)
&rst
ixpk= 2214, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 867, 868, 858, 859,
igr2=1111,1112,1111,1112,
&end
#
# 0 AMB 20-2:2215 71 ASN HB- 4.50 (# 2215:20 Single Ambig)
&rst
ixpk= 2215, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 867, 868, 858, 859,
igr2=1111,1112,
&end
#
# 58 LYS HD+ 71 ASN HB+ 4.50 (# 2216:20 Unique 2.00, 4.30 A)
&rst
ixpk= 2216, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 909, 910,
igr2=1111,1112,
&end
#
# 58 LYS HD+ 71 ASN HB- 4.50 (# 2217:20 Unique 2.00, 4.30 A)
&rst
ixpk= 2217, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 909, 910,
igr2=1111,1112,
&end
#
# 58 LYS HD- 71 ASN HB+ 4.50 (# 2218:20 Unique 2.00, 4.30 A)
&rst
ixpk= 2218, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 909, 910,
igr2=1111,1112,
&end
#
# 46 VAL MGX 71 ASN HB+ 5.50 (# 2219:20 Unique 4.21, 6.78 A)
&rst
ixpk= 2219, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 740, 741, 742, 744, 745, 746,
igr2=1111,1112,
&end
#
# 46 VAL MGX 71 ASN HB- 4.50 (# 2220:20 Unique 4.21, 6.78 A)
&rst
ixpk= 2220, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 740, 741, 742, 744, 745, 746,
igr2=1111,1112,
&end
#
# 83 VAL HN 16 GLU HG+ 5.50 (# 2221:20 Unique 2.65, 4.20 A)
&rst
ixpk= 2221, nxpk= 20, iat=1280, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 265, 266,
&end
#
# 83 VAL HN 16 GLU HG- 5.50 (# 2222:20 Unique 2.65, 4.20 A)
&rst
ixpk= 2222, nxpk= 20, iat=1280, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 265, 266,
&end
#
# 75 LEU MDY 16 GLU HG+ 4.50 (# 2223:20 Unique 2.00, 4.89 A)
&rst
ixpk= 2223, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1154,1155,1156,1158,1159,1160,
igr2= 265, 266,
&end
#
# 75 LEU MDY 16 GLU HG- 5.50 (# 2224:20 Unique 2.00, 4.89 A)
&rst
ixpk= 2224, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1154,1155,1156,1158,1159,1160,
igr2= 265, 266,
&end
#
# 12 GLN HN 0 AMB 20-1:2225 4.50 (# 2225:20 Single Ambig)
&rst
ixpk= 2225, nxpk= 20, iat= 186, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 178, 179, 178, 179,
&end
#
# 28 GLU HA 0 AMB 20-1:2228 5.50 (# 2228:20 Single Ambig)
&rst
ixpk= 2228, nxpk= 20, iat= 449, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 507, 508, 507, 508,
&end
#
# 24 ILE QG2 28 GLU HG+ 5.50 (# 2229:20 Unique 2.01, 4.69 A)
&rst
ixpk= 2229, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 379, 380, 381,
igr2= 454, 455,
&end
#
# 24 ILE QG2 28 GLU HG- 5.50 (# 2230:20 Unique 2.01, 4.69 A)
&rst
ixpk= 2230, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 379, 380, 381,
igr2= 454, 455,
&end
#
# 32 ARG HB- 28 GLU HG+ 4.50 (# 2231:20 Unique 2.40, 4.91 A)
&rst
ixpk= 2231, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 519, 520,
igr2= 454, 455,
&end
#
# 25 PRO HD+ 28 GLU HG+ 4.50 (# 2232:20 Unique 2.33, 5.18 A)
&rst
ixpk= 2232, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 393, 394,
igr2= 454, 455,
&end
#
# 32 ARG HD- 28 GLU HG- 4.50 (# 2233:20 Unique 2.55, 4.67 A)
&rst
ixpk= 2233, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 525, 526,
igr2= 454, 455,
&end
#
# 25 PRO HD+ 28 GLU HG- 5.50 (# 2234:20 Unique 2.33, 5.18 A)
&rst
ixpk= 2234, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 393, 394,
igr2= 454, 455,
&end
#
# 32 ARG HD- 28 GLU HG+ 4.50 (# 2235:20 Unique 2.55, 4.67 A)
&rst
ixpk= 2235, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 525, 526,
igr2= 454, 455,
&end
#
# 29 VAL HN 28 GLU HG+ 5.50 (# 2236:20 Unique 2.21, 4.59 A)
&rst
ixpk= 2236, nxpk= 20, iat= 462, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 454, 455,
&end
#
# 29 VAL HN 28 GLU HG- 5.50 (# 2237:20 Unique 2.21, 4.59 A)
&rst
ixpk= 2237, nxpk= 20, iat= 462, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 454, 455,
&end
#
# 0 AMB 20-2:2238 0 AMB 20-1:2238 5.50 (# 2238:20 Double Ambig)
&rst
ixpk= 2238, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 719, 720, 716, 717,
igr2= 21, 22, 21, 22, 21, 22,
&end
#
# 4 TRP HE1 0 AMB 20-1:2239 4.50 (# 2239:20 Single Ambig)
&rst
ixpk= 2239, nxpk= 20, iat= 56, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 21, 22, 21, 22,
&end
#
# 0 AMB 20-2:2240 66 TYR HB- 4.50 (# 2240:20 Single Ambig)
&rst
ixpk= 2240, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 964, 965, 966, 968, 969, 970, 552, 553, 554,
igr2=1028,1029,
&end
#
# 0 AMB 20-2:2241 0 AMB 20-1:2241 5.50 (# 2241:20 Double Ambig)
&rst
ixpk= 2241, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 964, 965, 966, 968, 969, 970, 552, 553, 554,
igr2=1028,1029,1028,1029,
&end
#
# 0 AMB 20-2:2242 0 AMB 20-1:2242 5.50 (# 2242:20 Double Ambig)
&rst
ixpk= 2242, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1= 957, 978, 979, 978, 979,1047,
igr2=1028,1029,1028,1029,1028,1029,1028,1029,
&end
#
# 0 AMB 20-2:2243 66 TYR HB- 4.50 (# 2243:20 Single Ambig)
&rst
ixpk= 2243, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 957,1047,
igr2=1028,1029,
&end
#
# 67 THR HN 66 TYR HB+ 4.50 (# 2245:20 Unique 2.43, 3.66 A)
&rst
ixpk= 2245, nxpk= 20, iat=1045, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1028,1029,
&end
#
# 65 GLY HN 66 TYR HB- 5.50 (# 2246:20 Unique 3.66, 4.60 A)
&rst
ixpk= 2246, nxpk= 20, iat=1017, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1028,1029,
&end
#
# 68 HIS HN 66 TYR HB+ 5.50 (# 2247:20 Unique 2.57, 3.40 A)
&rst
ixpk= 2247, nxpk= 20, iat=1059, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1028,1029,
&end
#
# 60 ILE HA 63 GLU HG+ 4.50 (# 2248:20 Unique 2.47, 4.54 A)
&rst
ixpk= 2248, nxpk= 20, iat= 938, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 992, 993,
&end
#
# 9 VAL MGX 0 AMB 20-1:2249 4.50 (# 2249:20 Single Ambig)
&rst
ixpk= 2249, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 147, 148, 149, 151, 152, 153,
igr2= 178, 179, 178, 179,
&end
#
# 7 VAL MGX 53 GLN HG- 5.50 (# 2250:20 Unique 2.48, 6.18 A)
&rst
ixpk= 2250, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 107, 108, 109, 111, 112, 113,
igr2= 844, 845,
&end
#
# 0 AMB 20-2:2251 0 AMB 20-1:2251 2.80 (# 2251:20 Double Ambig)
&rst
ixpk= 2251, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 841, 842, 161, 162,
igr2= 844, 845, 178, 179, 178, 179,
&end
#
# 53 GLN HE2+ 53 GLN HG+ 5.50 (# 2253:20 Unique 2.12, 3.30 A)
&rst
ixpk= 2253, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 849, 850,
igr2= 844, 845,
&end
#
# 53 GLN HE2+ 53 GLN HG- 4.50 (# 2254:20 Unique 2.12, 3.30 A)
&rst
ixpk= 2254, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 849, 850,
igr2= 844, 845,
&end
#
# 53 GLN HN 53 GLN HG+ 5.50 (# 2255:20 Unique 2.03, 4.03 A)
&rst
ixpk= 2255, nxpk= 20, iat= 837, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 844, 845,
&end
#
# 16 GLU HG+ 82 LYS HB- 4.50 (# 2256:20 Unique 2.00, 3.34 A)
&rst
ixpk= 2256, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 265, 266,
igr2=1262,1263,
&end
#
# 0 AMB 20-2:2257 0 AMB 20-1:2257 5.50 (# 2257:20 Double Ambig)
&rst
ixpk= 2257, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1271,1272,1309,1310,
igr2=1262,1263,1262,1263,
&end
#
# 0 AMB 20-2:2258 82 LYS HB- 5.50 (# 2258:20 Single Ambig)
&rst
ixpk= 2258, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1271,1272,1309,1310,
igr2=1262,1263,
&end
#
# 18 VAL HA 82 LYS HB+ 5.50 (# 2259:20 Unique 3.33, 4.67 A)
&rst
ixpk= 2259, nxpk= 20, iat= 292, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1262,1263,
&end
#
# 0 AMB 20-2:2260 0 AMB 20-1:2260 5.50 (# 2260:20 Double Ambig)
&rst
ixpk= 2260, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1282,1254,
igr2=1262,1263,1262,1263,
&end
#
# 0 AMB 20-2:2261 82 LYS HB- 5.50 (# 2261:20 Single Ambig)
&rst
ixpk= 2261, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1282,1254,
igr2=1262,1263,
&end
#
# 0 AMB 20-2:2262 0 AMB 20-1:2262 5.50 (# 2262:20 Double Ambig)
&rst
ixpk= 2262, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 719, 720, 719, 720,
igr2=1099,1100,1099,1100,
&end
#
# 0 AMB 20-2:2263 0 AMB 20-1:2263 5.50 (# 2263:20 Double Ambig)
&rst
ixpk= 2263, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 714,1109,
igr2=1099,1100,1099,1100,1099,1100,
&end
#
# 70 GLU HN 0 AMB 20-1:2264 4.50 (# 2264:20 Single Ambig)
&rst
ixpk= 2264, nxpk= 20, iat=1092, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2=1099,1100,1099,1100,
&end
#
# 43 THR MG2 0 AMB 20-1:2265 5.50 (# 2265:20 Single Ambig)
&rst
ixpk= 2265, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 688, 689, 690,
igr2=1099,1100,1099,1100,
&end
#
# 81 PRO HD+ 80 MET HB- 5.50 (# 2266:20 Unique 1.99, 3.45 A)
&rst
ixpk= 2266, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1245,1246,
igr2=1231,1232,
&end
#
# 80 MET HN 80 MET HB+ 4.50 (# 2267:20 Unique 2.37, 3.14 A)
&rst
ixpk= 2267, nxpk= 20, iat=1227, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1231,1232,
&end
#
# 66 TYR HE 64 MET HB+ 5.50 (# 2269:20 Unique 2.57, 5.37 A)
&rst
ixpk= 2269, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1034,1039,
igr2=1004,1005,
&end
#
# 66 TYR HD 64 MET HB+ 4.50 (# 2270:20 Unique 2.11, 4.92 A)
&rst
ixpk= 2270, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1032,1041,
igr2=1004,1005,
&end
#
# 26 LEU MDY 56 GLN HG+ 4.50 (# 2271:20 Unique 3.62, 6.32 A)
&rst
ixpk= 2271, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 415, 416, 417, 419, 420, 421,
igr2= 879, 880,
&end
#
# 56 GLN HE2- 56 GLN HG+ 5.50 (# 2272:20 Unique 2.13, 3.32 A)
&rst
ixpk= 2272, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 884, 885,
igr2= 879, 880,
&end
#
# 0 AMB 20-2:2273 0 AMB 20-1:2273 5.50 (# 2273:20 Double Ambig)
&rst
ixpk= 2273, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 889, 899,
igr2= 879, 880, 879, 880,
&end
#
# 0 AMB 20-2:2274 0 AMB 20-1:2274 5.50 (# 2274:20 Double Ambig)
&rst
ixpk= 2274, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 889, 955,
igr2= 879, 880,1004,1005,
&end
#
# 85 GLY HN 84 LYS HB- 5.50 (# 2275:20 Unique 1.95, 3.20 A)
&rst
ixpk= 2275, nxpk= 20, iat=1318, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1300,1301,
&end
#
# 70 GLU HN 44 VAL HB 4.50 (# 2276:20 Unique 3.46, 3.98 A)
&rst
ixpk= 2276, nxpk= 20, iat=1092, 700, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 45 LYS HN 44 VAL HB 5.50 (# 2277:20 Unique 3.77, 4.35 A)
&rst
ixpk= 2277, nxpk= 20, iat= 712, 700, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 19 GLN HG+ 83 VAL HB 5.50 (# 2279:20 Unique 3.87, 5.46 A)
&rst
ixpk= 2279, nxpk= 20, iat= -1,1284, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 313, 314,
&end
#
# 0 AMB 20-2:2281 0 AMB 20-1:2281 4.50 (# 2281:20 Double Ambig)
&rst
ixpk= 2281, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 964, 965, 966, 968, 969, 970, 552, 553, 554,
igr2= 700, 738,
&end
#
# 0 AMB 20-2:2282 0 AMB 20-1:2282 2.80 (# 2282:20 Double Ambig)
&rst
ixpk= 2282, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088, 702, 703, 704, 706, 707, 708, 740, 741,
742, 744, 745, 746,
igr2= 700, 738,
&end
#
# 54 SER HB- 46 VAL HB 4.50 (# 2283:20 Unique 2.46, 3.80 A)
&rst
ixpk= 2283, nxpk= 20, iat= -1, 738, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 858, 859,
&end
#
# 0 AMB 20-2:2284 46 VAL HB 3.50 (# 2284:20 Single Ambig)
&rst
ixpk= 2284, nxpk= 20, iat= -1, 738, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 858, 859, 856,
&end
#
# 0 AMB 20-2:2285 0 AMB 20-1:2285 4.50 (# 2285:20 Double Ambig)
&rst
ixpk= 2285, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 714,1109,
igr2= 700, 738,
&end
#
# 0 AMB 20-2:2286 0 AMB 20-1:2286 5.50 (# 2286:20 Double Ambig)
&rst
ixpk= 2286, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1121, 70,
igr2= 738, 700,
&end
#
# 12 GLN HA 15 GLN HG+ 4.50 (# 2287:20 Unique 2.14, 3.86 A)
&rst
ixpk= 2287, nxpk= 20, iat= 188, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 248, 249,
&end
#
# 15 GLN HE2+ 15 GLN HG+ 5.50 (# 2288:20 Unique 2.12, 3.23 A)
&rst
ixpk= 2288, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 253, 254,
igr2= 248, 249,
&end
#
# 16 GLU HN 15 GLN HG+ 5.50 (# 2289:20 Unique 2.09, 4.86 A)
&rst
ixpk= 2289, nxpk= 20, iat= 258, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 248, 249,
&end
#
# 0 AMB 20-2:2292 3 HIS HB- 4.50 (# 2292:20 Single Ambig)
&rst
ixpk= 2292, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 80, 81, 80, 81,
igr2= 33, 34,
&end
#
# 0 AMB 20-2:2293 0 AMB 20-1:2293 4.50 (# 2293:20 Double Ambig)
&rst
ixpk= 2293, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 80, 81, 80, 81,
igr2= 33, 34, 33, 34,
&end
#
# 4 TRP HB+ 3 HIS HB- 4.50 (# 2294:20 Unique 4.99, 5.91 A)
&rst
ixpk= 2294, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 50, 51,
igr2= 33, 34,
&end
#
# 3 HIS HD2 3 HIS HB- 4.50 (# 2295:20 Unique 2.69, 3.17 A)
&rst
ixpk= 2295, nxpk= 20, iat= 42, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 33, 34,
&end
#
# 3 HIS HD2 3 HIS HB+ 5.50 (# 2296:20 Unique 2.69, 3.17 A)
&rst
ixpk= 2296, nxpk= 20, iat= 42, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 33, 34,
&end
#
# 45 LYS HN 3 HIS HB- 5.50 (# 2297:20 Unique 3.50, 4.56 A)
&rst
ixpk= 2297, nxpk= 20, iat= 712, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 33, 34,
&end
#
# 45 LYS HN 3 HIS HB+ 5.50 (# 2298:20 Unique 3.50, 4.56 A)
&rst
ixpk= 2298, nxpk= 20, iat= 712, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 33, 34,
&end
#
# 4 TRP HN 3 HIS HB- 4.50 (# 2299:20 Unique 2.45, 3.23 A)
&rst
ixpk= 2299, nxpk= 20, iat= 46, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 33, 34,
&end
#
# 0 AMB 20-2:2300 0 AMB 20-1:2300 4.50 (# 2300:20 Double Ambig)
&rst
ixpk= 2300, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 236, 237, 211, 220,
igr2= 231, 232, 231, 232, 231, 232,
&end
#
# 15 GLN HN 0 AMB 20-1:2301 5.50 (# 2301:20 Single Ambig)
&rst
ixpk= 2301, nxpk= 20, iat= 241, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 231, 232, 231, 232,
&end
#
# 0 AMB 20-2:2302 0 AMB 20-1:2302 4.50 (# 2302:20 Double Ambig)
&rst
ixpk= 2302, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 236, 237, 236, 237,
igr2= 231, 232, 231, 232,
&end
#
# 83 VAL MGY 19 GLN HG+ 5.50 (# 2303:20 Unique 2.00, 5.18 A)
&rst
ixpk= 2303, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1286,1287,1288,1290,1291,1292,
igr2= 313, 314,
&end
#
# 19 GLN HE2+ 19 GLN HG+ 5.50 (# 2305:20 Unique 2.36, 3.45 A)
&rst
ixpk= 2305, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 318, 319,
igr2= 313, 314,
&end
#
# 19 GLN HE2+ 19 GLN HG- 5.50 (# 2306:20 Unique 2.36, 3.45 A)
&rst
ixpk= 2306, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 318, 319,
igr2= 313, 314,
&end
#
# 19 GLN HN 19 GLN HG+ 5.50 (# 2307:20 Unique 3.09, 4.37 A)
&rst
ixpk= 2307, nxpk= 20, iat= 306, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 313, 314,
&end
#
# 19 GLN HN 19 GLN HG- 5.50 (# 2308:20 Unique 3.09, 4.37 A)
&rst
ixpk= 2308, nxpk= 20, iat= 306, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 313, 314,
&end
#
# 83 VAL MGY 19 GLN HG- 5.50 (# 2310:20 Unique 2.00, 5.18 A)
&rst
ixpk= 2310, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1286,1287,1288,1290,1291,1292,
igr2= 313, 314,
&end
#
# 70 GLU HN 0 AMB 20-1:2311 4.50 (# 2311:20 Single Ambig)
&rst
ixpk= 2311, nxpk= 20, iat=1092, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1080,1096,1097,
&end
#
# 0 AMB 20-2:2312 70 GLU HB- 5.50 (# 2312:20 Single Ambig)
&rst
ixpk= 2312, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.17, r4=10.92,
igr1= 722, 723, 702, 703, 704, 706, 707, 708, 740, 741,
742, 744, 745, 746,1082,1083,1084,1086,1087,1088,
igr2=1096,1097,
&end
#
# 46 VAL HN 70 GLU HB- 5.50 (# 2314:20 Unique 3.90, 5.31 A)
&rst
ixpk= 2314, nxpk= 20, iat= 734, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1096,1097,
&end
#
# 9 VAL MGY 25 PRO HB+ 4.50 (# 2315:20 Unique 3.81, 5.99 A)
&rst
ixpk= 2315, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 147, 148, 149, 151, 152, 153,
igr2= 399, 400,
&end
#
# 25 PRO HD- 25 PRO HB+ 4.50 (# 2316:20 Unique 2.98, 3.70 A)
&rst
ixpk= 2316, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 393, 394,
igr2= 399, 400,
&end
#
# 26 LEU HN 25 PRO HB+ 4.50 (# 2317:20 Unique 2.34, 3.70 A)
&rst
ixpk= 2317, nxpk= 20, iat= 406, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 399, 400,
&end
#
# 28 GLU HN 25 PRO HB+ 5.50 (# 2318:20 Unique 3.11, 4.72 A)
&rst
ixpk= 2318, nxpk= 20, iat= 447, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 399, 400,
&end
#
# 27 LYS HN 25 PRO HB+ 4.50 (# 2319:20 Unique 2.11, 3.62 A)
&rst
ixpk= 2319, nxpk= 20, iat= 425, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 399, 400,
&end
#
# 81 PRO HD- 80 MET HG+ 5.50 (# 2320:20 Unique 2.00, 3.81 A)
&rst
ixpk= 2320, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1245,1246,
igr2=1234,1235,
&end
#
# 4 TRP HZ2 80 MET HG+ 5.50 (# 2321:20 Unique 3.69, 5.03 A)
&rst
ixpk= 2321, nxpk= 20, iat= 59, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1234,1235,
&end
#
# 27 LYS HN 25 PRO HB- 4.50 (# 2322:20 Unique 2.11, 3.62 A)
&rst
ixpk= 2322, nxpk= 20, iat= 425, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 399, 400,
&end
#
# 9 VAL HA 25 PRO HB- 5.50 (# 2323:20 Unique 2.44, 2.90 A)
&rst
ixpk= 2323, nxpk= 20, iat= 143, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 399, 400,
&end
#
# 0 AMB 20-2:2324 0 AMB 20-1:2324 4.50 (# 2324:20 Double Ambig)
&rst
ixpk= 2324, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1227, 849, 850, 61,
igr2=1234,1235, 399, 400,
&end
#
# 4 TRP HZ2 80 MET HG- 5.50 (# 2325:20 Unique 3.69, 5.03 A)
&rst
ixpk= 2325, nxpk= 20, iat= 59, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1234,1235,
&end
#
# 61 LEU MDX 64 MET HG+ 5.50 (# 2326:20 Unique 3.03, 6.93 A)
&rst
ixpk= 2326, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 964, 965, 966, 968, 969, 970,
igr2=1007,1008,
&end
#
# 60 ILE QG2 64 MET HG- 5.50 (# 2327:20 Unique 2.52, 4.99 A)
&rst
ixpk= 2327, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 942, 943, 944,
igr2=1007,1008,
&end
#
# 61 LEU HA 64 MET HG- 4.50 (# 2328:20 Unique 2.00, 3.70 A)
&rst
ixpk= 2328, nxpk= 20, iat= 957, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1007,1008,
&end
#
# 0 AMB 20-2:2329 0 AMB 20-1:2329 5.50 (# 2329:20 Double Ambig)
&rst
ixpk= 2329, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 173, 375,
igr2= 164, 165, 164, 165,
&end
#
# 9 VAL HA 10 PRO HB+ 5.50 (# 2330:20 Unique 4.84, 5.22 A)
&rst
ixpk= 2330, nxpk= 20, iat= 143, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 164, 165,
&end
#
# 0 AMB 20-2:2331 0 AMB 20-1:2331 5.50 (# 2331:20 Double Ambig)
&rst
ixpk= 2331, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 570, 173,
igr2= 615, 616, 164, 165,
&end
#
# 39 ASP HN 38 PRO HB+ 5.50 (# 2332:20 Unique 3.42, 3.98 A)
&rst
ixpk= 2332, nxpk= 20, iat= 622, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 615, 616,
&end
#
# 39 ASP HN 0 AMB 20-1:2333 4.50 (# 2333:20 Single Ambig)
&rst
ixpk= 2333, nxpk= 20, iat= 622, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 615, 616, 596,
&end
#
# 18 VAL MGY 17 HIS HB+ 5.50 (# 2335:20 Unique 3.77, 6.66 A)
&rst
ixpk= 2335, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 296, 297, 298, 300, 301, 302,
igr2= 277, 278,
&end
#
# 18 VAL MGY 17 HIS HB- 5.50 (# 2336:20 Unique 3.77, 6.66 A)
&rst
ixpk= 2336, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 296, 297, 298, 300, 301, 302,
igr2= 277, 278,
&end
#
# 21 ALA MB 17 HIS HB+ 4.50 (# 2337:20 Unique 3.05, 5.68 A)
&rst
ixpk= 2337, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 334, 335, 336,
igr2= 277, 278,
&end
#
# 0 AMB 20-2:2338 17 HIS HB- 4.50 (# 2338:20 Single Ambig)
&rst
ixpk= 2338, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 334, 335, 336, 265, 266,
igr2= 277, 278,
&end
#
# 13 TYR HA 17 HIS HB+ 4.50 (# 2339:20 Unique 2.70, 4.12 A)
&rst
ixpk= 2339, nxpk= 20, iat= 205, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 277, 278,
&end
#
# 13 TYR HA 17 HIS HB- 5.50 (# 2340:20 Unique 2.70, 4.12 A)
&rst
ixpk= 2340, nxpk= 20, iat= 205, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 277, 278,
&end
#
# 17 HIS HD2 17 HIS HB+ 4.50 (# 2342:20 Unique 2.70, 3.31 A)
&rst
ixpk= 2342, nxpk= 20, iat= 286, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 277, 278,
&end
#
# 17 HIS HD2 17 HIS HB- 4.50 (# 2343:20 Unique 2.70, 3.31 A)
&rst
ixpk= 2343, nxpk= 20, iat= 286, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 277, 278,
&end
#
# 17 HIS HN 17 HIS HB- 5.50 (# 2344:20 Unique 3.03, 3.57 A)
&rst
ixpk= 2344, nxpk= 20, iat= 273, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 277, 278,
&end
#
# 17 HIS HN 17 HIS HB+ 5.50 (# 2345:20 Unique 3.03, 3.57 A)
&rst
ixpk= 2345, nxpk= 20, iat= 273, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 277, 278,
&end
#
# 9 VAL HN 8 ARG HB- 4.50 (# 2348:20 Unique 2.43, 3.56 A)
&rst
ixpk= 2348, nxpk= 20, iat= 141, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 121, 122,
&end
#
# 33 ILE QD1 37 VAL HB 3.50 (# 2349:20 Unique 2.85, 3.88 A)
&rst
ixpk= 2349, nxpk= 20, iat= -1, 596, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 552, 553, 554,
&end
#
# 16 GLU HN 16 GLU HB- 5.50 (# 2350:20 Unique 2.78, 3.40 A)
&rst
ixpk= 2350, nxpk= 20, iat= 258, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 262, 263,
&end
#
# 29 VAL HN 28 GLU HB- 4.50 (# 2351:20 Unique 2.89, 3.38 A)
&rst
ixpk= 2351, nxpk= 20, iat= 462, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 451, 452,
&end
#
# 41 ASN HN 40 LYS HB- 5.50 (# 2352:20 Unique 2.81, 4.00 A)
&rst
ixpk= 2352, nxpk= 20, iat= 656, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 638, 639,
&end
#
# 4 TRP HA 45 LYS HB- 4.50 (# 2353:20 Unique 1.97, 2.78 A)
&rst
ixpk= 2353, nxpk= 20, iat= 48, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 716, 717,
&end
#
# 0 AMB 20-2:2354 0 AMB 20-1:2354 5.50 (# 2354:20 Double Ambig)
&rst
ixpk= 2354, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 734, 29,
igr2= 716, 717, 716, 717,
&end
#
# 0 AMB 20-2:2355 45 LYS HB- 5.50 (# 2355:20 Single Ambig)
&rst
ixpk= 2355, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 734, 29,
igr2= 716, 717,
&end
#
# 0 AMB 20-2:2356 0 AMB 20-1:2356 3.50 (# 2356:20 Double Ambig)
&rst
ixpk= 2356, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1262,1263,1149,1150,
igr2= 262, 263, 262, 263,
&end
#
# 8 ARG HN 8 ARG HB+ 4.50 (# 2357:20 Unique 2.06, 2.79 A)
&rst
ixpk= 2357, nxpk= 20, iat= 117, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 121, 122,
&end
#
# 8 ARG HE 8 ARG HB+ 4.50 (# 2358:20 Unique 2.01, 3.01 A)
&rst
ixpk= 2358, nxpk= 20, iat= 130, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 121, 122,
&end
#
# 55 GLY HA+ 58 LYS HB+ 5.50 (# 2359:20 Unique 2.57, 4.21 A)
&rst
ixpk= 2359, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 867, 868,
igr2= 903, 904,
&end
#
# 27 LYS HN 30 LYS HB- 5.50 (# 2363:20 Unique 5.59, 6.50 A)
&rst
ixpk= 2363, nxpk= 20, iat= 425, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 482, 483,
&end
#
# 0 AMB 20-2:2364 0 AMB 20-1:2364 5.50 (# 2364:20 Double Ambig)
&rst
ixpk= 2364, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 647, 648, 647, 648,
igr2= 638, 639, 638, 639,
&end
#
# 67 THR HN 40 LYS HB+ 5.50 (# 2365:20 Unique 2.11, 4.27 A)
&rst
ixpk= 2365, nxpk= 20, iat=1045, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 638, 639,
&end
#
# 41 ASN HN 40 LYS HB+ 5.50 (# 2366:20 Unique 2.81, 4.00 A)
&rst
ixpk= 2366, nxpk= 20, iat= 656, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 638, 639,
&end
#
# 59 GLU HN 58 LYS HB- 5.50 (# 2367:20 Unique 1.95, 3.38 A)
&rst
ixpk= 2367, nxpk= 20, iat= 921, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 903, 904,
&end
#
# 71 ASN HD2+ 58 LYS HB- 4.50 (# 2368:20 Unique 2.31, 3.96 A)
&rst
ixpk= 2368, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1116,1117,
igr2= 903, 904,
&end
#
# 75 LEU MDX 16 GLU HB+ 4.50 (# 2369:20 Unique 2.09, 5.84 A)
&rst
ixpk= 2369, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1154,1155,1156,1158,1159,1160,
igr2= 262, 263,
&end
#
# 16 GLU HN 16 GLU HB+ 4.50 (# 2370:20 Unique 2.78, 3.40 A)
&rst
ixpk= 2370, nxpk= 20, iat= 258, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 262, 263,
&end
#
# 17 HIS HN 16 GLU HB+ 5.50 (# 2371:20 Unique 2.44, 4.12 A)
&rst
ixpk= 2371, nxpk= 20, iat= 273, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 262, 263,
&end
#
# 25 PRO HD+ 28 GLU HB+ 4.50 (# 2374:20 Unique 2.01, 4.03 A)
&rst
ixpk= 2374, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 393, 394,
igr2= 451, 452,
&end
#
# 0 AMB 20-2:2375 7 VAL HB 4.50 (# 2375:20 Single Ambig)
&rst
ixpk= 2375, nxpk= 20, iat= -1, 105, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 856, 402, 858, 859,
&end
#
# 7 VAL HN 7 VAL HB 5.50 (# 2376:20 Unique 3.60, 3.61 A)
&rst
ixpk= 2376, nxpk= 20, iat= 101, 105, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 28 GLU HA 0 AMB 20-1:2381 4.50 (# 2381:20 Single Ambig)
&rst
ixpk= 2381, nxpk= 20, iat= 449, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 504, 505, 504, 505,
&end
#
# 53 GLN HN 0 AMB 20-1:2382 5.50 (# 2382:20 Single Ambig)
&rst
ixpk= 2382, nxpk= 20, iat= 837, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 817, 818, 817, 818,
&end
#
# 52 ARG HA 0 AMB 20-1:2383 2.80 (# 2383:20 Single Ambig)
&rst
ixpk= 2383, nxpk= 20, iat= 815, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2= 817, 818, 817, 818,
&end
#
# 0 AMB 20-2:2384 0 AMB 20-1:2384 4.50 (# 2384:20 Double Ambig)
&rst
ixpk= 2384, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1= 296, 297, 298, 300, 301, 302, 296, 297, 298, 300,
301, 302,
igr2= 50, 51, 50, 51,
&end
#
# 0 AMB 20-2:2385 4 TRP HB- 4.50 (# 2385:20 Single Ambig)
&rst
ixpk= 2385, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 296, 297, 298, 300, 301, 302, 296, 297, 298, 300,
301, 302,
igr2= 50, 51,
&end
#
# 0 AMB 20-2:2386 0 AMB 20-1:2386 5.50 (# 2386:20 Double Ambig)
&rst
ixpk= 2386, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.25, r4=11.00,
igr1= 716, 717, 719, 720, 83, 84, 85,
igr2= 50, 51, 50, 51, 50, 51,
&end
#
# 0 AMB 20-2:2387 4 TRP HB- 5.50 (# 2387:20 Single Ambig)
&rst
ixpk= 2387, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.54, r4= 9.29,
igr1= 716, 717, 719, 720, 83, 84, 85,
igr2= 50, 51,
&end
#
# 21 ALA MB 4 TRP HB- 3.50 (# 2388:20 Unique 2.00, 3.76 A)
&rst
ixpk= 2388, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 334, 335, 336,
igr2= 50, 51,
&end
#
# 5 ILE HA 4 TRP HB+ 5.50 (# 2389:20 Unique 4.15, 4.72 A)
&rst
ixpk= 2389, nxpk= 20, iat= 72, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 50, 51,
&end
#
# 0 AMB 20-2:2390 4 TRP HB- 5.50 (# 2390:20 Single Ambig)
&rst
ixpk= 2390, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 72, 31,
igr2= 50, 51,
&end
#
# 47 TYR HE 4 TRP HB+ 5.50 (# 2391:20 Unique 2.13, 5.62 A)
&rst
ixpk= 2391, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 760, 765,
igr2= 50, 51,
&end
#
# 47 TYR HE 4 TRP HB- 5.50 (# 2392:20 Unique 2.13, 5.62 A)
&rst
ixpk= 2392, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 760, 765,
igr2= 50, 51,
&end
#
# 4 TRP HD1 4 TRP HB- 4.50 (# 2394:20 Unique 2.56, 3.19 A)
&rst
ixpk= 2394, nxpk= 20, iat= 54, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 50, 51,
&end
#
# 5 ILE HN 4 TRP HB+ 5.50 (# 2395:20 Unique 3.01, 3.88 A)
&rst
ixpk= 2395, nxpk= 20, iat= 70, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 50, 51,
&end
#
# 5 ILE HN 4 TRP HB- 5.50 (# 2396:20 Unique 3.01, 3.88 A)
&rst
ixpk= 2396, nxpk= 20, iat= 70, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 50, 51,
&end
#
# 0 AMB 20-2:2397 0 AMB 20-1:2397 5.50 (# 2397:20 Double Ambig)
&rst
ixpk= 2397, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 340, 323,
igr2= 50, 51, 50, 51,
&end
#
# 0 AMB 20-2:2398 4 TRP HB- 5.50 (# 2398:20 Single Ambig)
&rst
ixpk= 2398, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 340, 323,
igr2= 50, 51,
&end
#
# 58 LYS HA 58 LYS HD+ 4.50 (# 2400:20 Unique 3.01, 3.80 A)
&rst
ixpk= 2400, nxpk= 20, iat= 901, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 909, 910,
&end
#
# 0 AMB 20-2:2401 0 AMB 20-1:2401 3.50 (# 2401:20 Double Ambig)
&rst
ixpk= 2401, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 912, 913, 912, 913,
igr2= 909, 910, 909, 910,
&end
#
# 0 AMB 20-2:2402 58 LYS HD- 4.50 (# 2402:20 Single Ambig)
&rst
ixpk= 2402, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
igr2= 909, 910,
&end
#
# 71 ASN HB- 58 LYS HD- 4.50 (# 2403:20 Unique 2.00, 4.30 A)
&rst
ixpk= 2403, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1111,1112,
igr2= 909, 910,
&end
#
# 58 LYS HA 58 LYS HD- 5.50 (# 2404:20 Unique 3.01, 3.80 A)
&rst
ixpk= 2404, nxpk= 20, iat= 901, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 909, 910,
&end
#
# 70 GLU HA 58 LYS HD- 5.50 (# 2405:20 Unique 2.36, 3.51 A)
&rst
ixpk= 2405, nxpk= 20, iat=1094, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 909, 910,
&end
#
# 70 GLU HA 58 LYS HD+ 5.50 (# 2406:20 Unique 2.36, 3.51 A)
&rst
ixpk= 2406, nxpk= 20, iat=1094, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 909, 910,
&end
#
# 48 CYS HB- 53 GLN HB- 4.50 (# 2408:20 Unique 3.27, 4.52 A)
&rst
ixpk= 2408, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 775, 776,
igr2= 841, 842,
&end
#
# 48 CYS HB+ 53 GLN HB- 5.50 (# 2409:20 Unique 3.27, 4.52 A)
&rst
ixpk= 2409, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 775, 776,
igr2= 841, 842,
&end
#
# 0 AMB 20-2:2412 0 AMB 20-1:2412 4.50 (# 2412:20 Double Ambig)
&rst
ixpk= 2412, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 478, 447,
igr2= 488, 489, 488, 489, 435, 436, 435, 436,
&end
#
# 9 VAL HN 0 AMB 20-1:2413 4.50 (# 2413:20 Single Ambig)
&rst
ixpk= 2413, nxpk= 20, iat= 141, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 145, 841, 842,
&end
#
# 11 GLU HN 9 VAL HB 4.50 (# 2414:20 Unique 2.30, 2.51 A)
&rst
ixpk= 2414, nxpk= 20, iat= 171, 145, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 48 CYS HB+ 53 GLN HB+ 4.50 (# 2415:20 Unique 3.27, 4.52 A)
&rst
ixpk= 2415, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 775, 776,
igr2= 841, 842,
&end
#
# 53 GLN HN 53 GLN HB+ 5.50 (# 2418:20 Unique 2.11, 2.75 A)
&rst
ixpk= 2418, nxpk= 20, iat= 837, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 841, 842,
&end
#
# 0 AMB 20-2:2419 0 AMB 20-1:2419 2.80 (# 2419:20 Double Ambig)
&rst
ixpk= 2419, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.41, r4= 7.16,
igr1= 432, 433, 432, 433, 432, 433,1303,1304,1303,1304,
1303,1304,
igr2= 435, 436, 435, 436, 435, 436,1306,1307,1306,1307,
1306,1307,
&end
#
# 84 LYS HN 0 AMB 20-1:2420 5.50 (# 2420:20 Single Ambig)
&rst
ixpk= 2420, nxpk= 20, iat=1296, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1306,1307,1306,1307,
&end
#
# 18 VAL MGY 82 LYS HD+ 5.50 (# 2421:20 Unique 3.30, 6.59 A)
&rst
ixpk= 2421, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 296, 297, 298, 300, 301, 302,
igr2=1268,1269,
&end
#
# 18 VAL MGY 82 LYS HD- 5.50 (# 2422:20 Unique 3.30, 6.59 A)
&rst
ixpk= 2422, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 296, 297, 298, 300, 301, 302,
igr2=1268,1269,
&end
#
# 75 LEU MDY 82 LYS HD- 4.50 (# 2423:20 Unique 2.00, 4.38 A)
&rst
ixpk= 2423, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1154,1155,1156,1158,1159,1160,
igr2=1268,1269,
&end
#
# 75 LEU MDY 82 LYS HD+ 4.50 (# 2424:20 Unique 2.00, 4.38 A)
&rst
ixpk= 2424, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1154,1155,1156,1158,1159,1160,
igr2=1268,1269,
&end
#
# 18 VAL HA 82 LYS HD+ 5.50 (# 2425:20 Unique 2.49, 5.22 A)
&rst
ixpk= 2425, nxpk= 20, iat= 292, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1268,1269,
&end
#
# 18 VAL HA 82 LYS HD- 5.50 (# 2426:20 Unique 2.49, 5.22 A)
&rst
ixpk= 2426, nxpk= 20, iat= 292, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1268,1269,
&end
#
# 82 LYS HN 82 LYS HD- 5.50 (# 2427:20 Unique 2.88, 4.50 A)
&rst
ixpk= 2427, nxpk= 20, iat=1258, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1268,1269,
&end
#
# 82 LYS HN 82 LYS HD+ 5.50 (# 2428:20 Unique 2.88, 4.50 A)
&rst
ixpk= 2428, nxpk= 20, iat=1258, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1268,1269,
&end
#
# 65 GLY HA+ 40 LYS HD- 4.50 (# 2430:20 Unique 2.78, 4.55 A)
&rst
ixpk= 2430, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1019,1020,
igr2= 644, 645,
&end
#
# 65 GLY HA+ 40 LYS HD+ 5.50 (# 2431:20 Unique 2.78, 4.55 A)
&rst
ixpk= 2431, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1019,1020,
igr2= 644, 645,
&end
#
# 66 TYR HA 40 LYS HD+ 5.50 (# 2433:20 Unique 2.24, 4.02 A)
&rst
ixpk= 2433, nxpk= 20, iat=1026, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 644, 645,
&end
#
# 66 TYR HA 40 LYS HD- 5.50 (# 2435:20 Unique 2.24, 4.02 A)
&rst
ixpk= 2435, nxpk= 20, iat=1026, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 644, 645,
&end
#
# 0 AMB 20-2:2436 0 AMB 20-1:2436 4.50 (# 2436:20 Double Ambig)
&rst
ixpk= 2436, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 634,1024,
igr2= 644, 645, 644, 645,
&end
#
# 0 AMB 20-2:2437 40 LYS HD- 4.50 (# 2437:20 Single Ambig)
&rst
ixpk= 2437, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 634,1024,
igr2= 644, 645,
&end
#
# 43 THR MG2 68 HIS HB- 4.50 (# 2438:20 Unique 3.59, 5.47 A)
&rst
ixpk= 2438, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 688, 689, 690,
igr2=1063,1064,
&end
#
# 68 HIS HA 68 HIS HB- 3.50 (# 2439:20 Unique 2.32, 2.78 A)
&rst
ixpk= 2439, nxpk= 20, iat=1061, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1063,1064,
&end
#
# 69 VAL HN 68 HIS HB- 5.50 (# 2440:20 Unique 3.69, 4.36 A)
&rst
ixpk= 2440, nxpk= 20, iat=1076, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1063,1064,
&end
#
# 69 VAL HN 68 HIS HB+ 5.50 (# 2441:20 Unique 3.69, 4.36 A)
&rst
ixpk= 2441, nxpk= 20, iat=1076, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1063,1064,
&end
#
# 44 VAL HN 68 HIS HB+ 5.50 (# 2442:20 Unique 3.38, 4.67 A)
&rst
ixpk= 2442, nxpk= 20, iat= 696, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1063,1064,
&end
#
# 44 VAL HN 68 HIS HB- 4.50 (# 2443:20 Unique 3.38, 4.67 A)
&rst
ixpk= 2443, nxpk= 20, iat= 696, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1063,1064,
&end
#
# 60 ILE QG2 0 AMB 20-1:2445 5.50 (# 2445:20 Single Ambig)
&rst
ixpk= 2445, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 942, 943, 944,
igr2= 989, 990, 989, 990,
&end
#
# 15 GLN HN 0 AMB 20-1:2446 3.50 (# 2446:20 Single Ambig)
&rst
ixpk= 2446, nxpk= 20, iat= 241, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 245, 246, 245, 246,
&end
#
# 16 GLU HN 0 AMB 20-1:2447 3.50 (# 2447:20 Single Ambig)
&rst
ixpk= 2447, nxpk= 20, iat= 258, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 245, 246, 245, 246,
&end
#
# 62 SER HN 0 AMB 20-1:2448 5.50 (# 2448:20 Single Ambig)
&rst
ixpk= 2448, nxpk= 20, iat= 974, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr2= 989, 990, 989, 990, 925, 926, 925, 926,
&end
#
# 0 AMB 20-2:2449 0 AMB 20-1:2449 5.50 (# 2449:20 Double Ambig)
&rst
ixpk= 2449, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1= 296, 297, 298, 300, 301, 302, 296, 297, 298, 300,
301, 302,
igr2= 310, 311, 310, 311,
&end
#
# 83 VAL MGX 19 GLN HB+ 5.50 (# 2450:20 Unique 2.06, 5.55 A)
&rst
ixpk= 2450, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1286,1287,1288,1290,1291,1292,
igr2= 310, 311,
&end
#
# 18 VAL HA 19 GLN HB+ 5.50 (# 2451:20 Unique 4.19, 4.66 A)
&rst
ixpk= 2451, nxpk= 20, iat= 292, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 310, 311,
&end
#
# 0 AMB 20-2:2452 0 AMB 20-1:2452 5.50 (# 2452:20 Double Ambig)
&rst
ixpk= 2452, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 955, 889, 330,
igr2= 946, 947, 310, 311,
&end
#
# 83 VAL MGY 19 GLN HB- 4.50 (# 2453:20 Unique 2.06, 5.55 A)
&rst
ixpk= 2453, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1286,1287,1288,1290,1291,1292,
igr2= 310, 311,
&end
#
# 0 AMB 20-2:2454 19 GLN HB- 5.50 (# 2454:20 Single Ambig)
&rst
ixpk= 2454, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1245,1246, 292,
igr2= 310, 311,
&end
#
# 45 LYS HA 45 LYS HD+ 5.50 (# 2456:20 Unique 2.85, 4.14 A)
&rst
ixpk= 2456, nxpk= 20, iat= 714, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 722, 723,
&end
#
# 45 LYS HA 45 LYS HD- 5.50 (# 2458:20 Unique 2.85, 4.14 A)
&rst
ixpk= 2458, nxpk= 20, iat= 714, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 722, 723,
&end
#
# 4 TRP HZ2 45 LYS HD+ 5.50 (# 2459:20 Unique 2.77, 3.97 A)
&rst
ixpk= 2459, nxpk= 20, iat= 59, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 722, 723,
&end
#
# 9 VAL MGX 0 AMB 20-1:2460 4.50 (# 2460:20 Single Ambig)
&rst
ixpk= 2460, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 147, 148, 149, 151, 152, 153,
igr2= 175, 176, 175, 176,
&end
#
# 12 GLN HN 0 AMB 20-1:2461 4.50 (# 2461:20 Single Ambig)
&rst
ixpk= 2461, nxpk= 20, iat= 186, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 175, 176, 175, 176,
&end
#
# 12 GLN HN 0 AMB 20-1:2462 4.50 (# 2462:20 Single Ambig)
&rst
ixpk= 2462, nxpk= 20, iat= 186, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 175, 176, 175, 176,
&end
#
# 11 GLU HN 0 AMB 20-1:2463 3.50 (# 2463:20 Single Ambig)
&rst
ixpk= 2463, nxpk= 20, iat= 171, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 175, 176, 175, 176,
&end
#
# 8 ARG HG- 48 CYS HB- 4.50 (# 2464:20 Unique 2.00, 3.85 A)
&rst
ixpk= 2464, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 124, 125,
igr2= 775, 776,
&end
#
# 8 ARG HG+ 48 CYS HB- 4.50 (# 2465:20 Unique 2.00, 3.85 A)
&rst
ixpk= 2465, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 124, 125,
igr2= 775, 776,
&end
#
# 8 ARG HG+ 48 CYS HB+ 3.50 (# 2466:20 Unique 2.00, 3.85 A)
&rst
ixpk= 2466, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 124, 125,
igr2= 775, 776,
&end
#
# 54 SER HB+ 48 CYS HB- 5.50 (# 2467:20 Unique 2.01, 4.59 A)
&rst
ixpk= 2467, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 858, 859,
igr2= 775, 776,
&end
#
# 48 CYS HN 48 CYS HB- 5.50 (# 2470:20 Unique 2.51, 3.54 A)
&rst
ixpk= 2470, nxpk= 20, iat= 771, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 775, 776,
&end
#
# 0 AMB 20-2:2471 48 CYS HB- 5.50 (# 2471:20 Single Ambig)
&rst
ixpk= 2471, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 101, 865,
igr2= 775, 776,
&end
#
# 0 AMB 20-2:2472 48 CYS HB- 4.50 (# 2472:20 Single Ambig)
&rst
ixpk= 2472, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 858, 859, 127, 128,
igr2= 775, 776,
&end
#
# 9 VAL HA 0 AMB 20-1:2473 5.50 (# 2473:20 Single Ambig)
&rst
ixpk= 2473, nxpk= 20, iat= 143, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 190, 191, 190, 191,
&end
#
# 0 AMB 20-2:2475 0 AMB 20-1:2475 2.80 (# 2475:20 Double Ambig)
&rst
ixpk= 2475, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.41, r4= 7.16,
igr1= 193, 194, 193, 194, 231, 232, 231, 232, 231, 232,
879, 880,
igr2= 190, 191, 190, 191, 228, 229, 228, 229, 228, 229,
876, 877,
&end
#
# 0 AMB 20-2:2476 61 LEU HG 3.50 (# 2476:20 Single Ambig)
&rst
ixpk= 2476, nxpk= 20, iat= -1, 962, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 942, 943, 944, 415, 416, 417, 419, 420, 421, 949,
950, 951,1082,1083,1084,1086,1087,1088,1082,1083,
1084,1086,1087,1088, 740, 741, 742, 744, 745, 746,
&end
#
# 11 GLU HN 10 PRO HG+ 5.50 (# 2477:20 Unique 2.09, 3.30 A)
&rst
ixpk= 2477, nxpk= 20, iat= 171, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 161, 162,
&end
#
# 0 AMB 20-2:2479 0 AMB 20-1:2479 5.50 (# 2479:20 Double Ambig)
&rst
ixpk= 2479, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1229, 361,
igr2=1248,1249, 396, 397,
&end
#
# 0 AMB 20-2:2480 0 AMB 20-1:2480 4.50 (# 2480:20 Double Ambig)
&rst
ixpk= 2480, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 117, 849, 850,
igr2= 124, 125, 124, 125,
&end
#
# 0 AMB 20-2:2481 0 AMB 20-1:2481 5.50 (# 2481:20 Double Ambig)
&rst
ixpk= 2481, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 368, 369, 758, 767,
igr2= 396, 397, 124, 125,
&end
#
# 8 ARG HE 8 ARG HG+ 4.50 (# 2482:20 Unique 2.22, 3.34 A)
&rst
ixpk= 2482, nxpk= 20, iat= 130, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 124, 125,
&end
#
# 0 AMB 20-2:2483 25 PRO HG- 4.50 (# 2483:20 Single Ambig)
&rst
ixpk= 2483, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 375, 427,
igr2= 396, 397,
&end
#
# 57 ALA HA 61 LEU HG 5.50 (# 2486:20 Unique 3.09, 3.85 A)
&rst
ixpk= 2486, nxpk= 20, iat= 891, 962, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 27 LYS HN 26 LEU HG 5.50 (# 2487:20 Unique 3.61, 4.51 A)
&rst
ixpk= 2487, nxpk= 20, iat= 425, 413, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 52 ARG HN 52 ARG HG- 5.50 (# 2488:20 Unique 1.95, 3.65 A)
&rst
ixpk= 2488, nxpk= 20, iat= 813, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 820, 821,
&end
#
# 5 ILE HA 22 ILE HG1+ 5.50 (# 2491:20 Unique 2.90, 4.17 A)
&rst
ixpk= 2491, nxpk= 20, iat= 72, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 350, 351,
&end
#
# 22 ILE HA 22 ILE HG1- 5.50 (# 2492:20 Unique 2.63, 3.42 A)
&rst
ixpk= 2492, nxpk= 20, iat= 342, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 350, 351,
&end
#
# 22 ILE HA 22 ILE HG1+ 4.50 (# 2493:20 Unique 2.63, 3.42 A)
&rst
ixpk= 2493, nxpk= 20, iat= 342, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 350, 351,
&end
#
# 21 ALA HA 22 ILE HG1+ 5.50 (# 2494:20 Unique 3.21, 4.15 A)
&rst
ixpk= 2494, nxpk= 20, iat= 332, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 350, 351,
&end
#
# 75 LEU HN 75 LEU HG 5.50 (# 2497:20 Unique 2.11, 3.59 A)
&rst
ixpk= 2497, nxpk= 20, iat=1145,1152, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 75 LEU HA 75 LEU HG 5.50 (# 2498:20 Unique 2.28, 2.91 A)
&rst
ixpk= 2498, nxpk= 20, iat=1147,1152, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 82 LYS HE- 75 LEU HG 5.50 (# 2499:20 Unique 2.02, 4.42 A)
&rst
ixpk= 2499, nxpk= 20, iat= -1,1152, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1271,1272,
&end
#
# 37 VAL MGX 33 ILE HG1- 5.50 (# 2500:20 Unique 2.84, 4.96 A)
&rst
ixpk= 2500, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 598, 599, 600, 602, 603, 604,
igr2= 549, 550,
&end
#
# 66 TYR HE 33 ILE HG1- 5.50 (# 2501:20 Unique 2.09, 3.83 A)
&rst
ixpk= 2501, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1034,1039,
igr2= 549, 550,
&end
#
# 37 VAL HN 33 ILE HG1- 4.50 (# 2502:20 Unique 2.43, 4.01 A)
&rst
ixpk= 2502, nxpk= 20, iat= 592, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 549, 550,
&end
#
# 0 AMB 20-2:2503 0 AMB 20-1:2503 2.80 (# 2503:20 Double Ambig)
&rst
ixpk= 2503, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 76, 77, 78, 386, 387, 388,
igr2= 80, 81, 80, 81, 80, 81,
&end
#
# 22 ILE HG1- 0 AMB 20-1:2504 3.50 (# 2504:20 Single Ambig)
&rst
ixpk= 2504, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 350, 351,
igr2= 80, 81, 80, 81,
&end
#
# 3 HIS HB- 0 AMB 20-1:2505 5.50 (# 2505:20 Single Ambig)
&rst
ixpk= 2505, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 33, 34,
igr2= 80, 81, 80, 81,
&end
#
# 0 AMB 20-2:2507 0 AMB 20-1:2507 5.50 (# 2507:20 Double Ambig)
&rst
ixpk= 2507, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 33, 34, 33, 34,
igr2= 80, 81, 80, 81,
&end
#
# 0 AMB 20-2:2508 0 AMB 20-1:2508 5.50 (# 2508:20 Double Ambig)
&rst
ixpk= 2508, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 33, 34, 33, 34,
igr2= 80, 81, 80, 81,
&end
#
# 4 TRP HA 0 AMB 20-1:2509 5.50 (# 2509:20 Single Ambig)
&rst
ixpk= 2509, nxpk= 20, iat= 48, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 80, 81, 80, 81,
&end
#
# 37 VAL HN 33 ILE HG1+ 5.50 (# 2510:20 Unique 2.43, 4.01 A)
&rst
ixpk= 2510, nxpk= 20, iat= 592, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 549, 550,
&end
#
# 33 ILE HA 33 ILE HG1+ 4.50 (# 2511:20 Unique 2.41, 3.11 A)
&rst
ixpk= 2511, nxpk= 20, iat= 541, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 549, 550,
&end
#
# 18 VAL MGY 75 LEU MDX 5.50 (# 2512:20 Unique 2.11, 6.27 A)
&rst
ixpk= 2512, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 296, 297, 298, 300, 301, 302,
igr2=1154,1155,1156,1158,1159,1160,
&end
#
# 82 LYS HE- 75 LEU MDX 5.50 (# 2513:20 Unique 2.00, 4.62 A)
&rst
ixpk= 2513, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1271,1272,
igr2=1154,1155,1156,1158,1159,1160,
&end
#
# 82 LYS HE+ 75 LEU MDX 5.50 (# 2514:20 Unique 2.00, 4.62 A)
&rst
ixpk= 2514, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1271,1272,
igr2=1154,1155,1156,1158,1159,1160,
&end
#
# 0 AMB 20-2:2515 75 LEU MDX 5.50 (# 2515:20 Single Ambig)
&rst
ixpk= 2515, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 786, 787, 127, 128, 277, 278,
igr2=1154,1155,1156,1158,1159,1160,
&end
#
# 75 LEU HA 75 LEU MDX 5.50 (# 2516:20 Unique 2.00, 3.88 A)
&rst
ixpk= 2516, nxpk= 20, iat=1147, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1154,1155,1156,1158,1159,1160,
&end
#
# 17 HIS HA 75 LEU MDX 4.50 (# 2517:20 Unique 2.38, 4.24 A)
&rst
ixpk= 2517, nxpk= 20, iat= 275, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1154,1155,1156,1158,1159,1160,
&end
#
# 47 TYR HE 75 LEU MDX 5.50 (# 2518:20 Unique 2.00, 5.46 A)
&rst
ixpk= 2518, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 760, 765,
igr2=1154,1155,1156,1158,1159,1160,
&end
#
# 16 GLU HN 75 LEU MDX 5.50 (# 2519:20 Unique 4.99, 7.18 A)
&rst
ixpk= 2519, nxpk= 20, iat= 258, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1154,1155,1156,1158,1159,1160,
&end
#
# 75 LEU HN 75 LEU MDX 5.50 (# 2520:20 Unique 2.62, 4.86 A)
&rst
ixpk= 2520, nxpk= 20, iat=1145, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1154,1155,1156,1158,1159,1160,
&end
#
# 24 ILE HN 24 ILE HG1- 5.50 (# 2522:20 Unique 2.38, 2.96 A)
&rst
ixpk= 2522, nxpk= 20, iat= 373, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 383, 384,
&end
#
# 56 GLN HN 26 LEU MDX 5.50 (# 2523:20 Unique 4.00, 6.37 A)
&rst
ixpk= 2523, nxpk= 20, iat= 872, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 53 GLN HE2+ 26 LEU MDX 5.50 (# 2524:20 Unique 2.93, 6.42 A)
&rst
ixpk= 2524, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 849, 850,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 26 LEU HN 26 LEU MDX 5.50 (# 2525:20 Unique 3.42, 5.26 A)
&rst
ixpk= 2525, nxpk= 20, iat= 406, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 57 ALA HN 26 LEU MDX 5.50 (# 2526:20 Unique 2.32, 4.71 A)
&rst
ixpk= 2526, nxpk= 20, iat= 889, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 27 LYS HN 26 LEU MDX 5.50 (# 2527:20 Unique 2.92, 5.52 A)
&rst
ixpk= 2527, nxpk= 20, iat= 425, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 24 ILE HN 24 ILE HG1+ 5.50 (# 2528:20 Unique 2.38, 2.96 A)
&rst
ixpk= 2528, nxpk= 20, iat= 373, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 383, 384,
&end
#
# 8 ARG HA 26 LEU MDX 5.50 (# 2529:20 Unique 5.15, 7.31 A)
&rst
ixpk= 2529, nxpk= 20, iat= 119, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 0 AMB 20-2:2530 26 LEU MDX 5.50 (# 2530:20 Single Ambig)
&rst
ixpk= 2530, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 408, 891,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 56 GLN HG+ 26 LEU MDX 5.50 (# 2531:20 Unique 3.62, 6.32 A)
&rst
ixpk= 2531, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 879, 880,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 57 ALA MB 26 LEU MDX 4.50 (# 2532:20 Unique 2.00, 4.23 A)
&rst
ixpk= 2532, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 893, 894, 895,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 64 MET ME 30 LYS HG+ 4.50 (# 2533:20 Unique 2.07, 4.90 A)
&rst
ixpk= 2533, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1011,1012,1013,
igr2= 485, 486,
&end
#
# 30 LYS HN 30 LYS HG- 4.50 (# 2535:20 Unique 3.40, 4.12 A)
&rst
ixpk= 2535, nxpk= 20, iat= 478, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 485, 486,
&end
#
# 66 TYR HA 40 LYS HG+ 5.50 (# 2536:20 Unique 2.05, 4.04 A)
&rst
ixpk= 2536, nxpk= 20, iat=1026, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 641, 642,
&end
#
# 45 LYS HN 45 LYS HG+ 4.50 (# 2537:20 Unique 2.46, 3.19 A)
&rst
ixpk= 2537, nxpk= 20, iat= 712, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 719, 720,
&end
#
# 0 AMB 20-2:2538 0 AMB 20-1:2538 5.50 (# 2538:20 Double Ambig)
&rst
ixpk= 2538, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 734, 29,
igr2= 719, 720, 719, 720,
&end
#
# 0 AMB 20-2:2539 45 LYS HG- 5.50 (# 2539:20 Single Ambig)
&rst
ixpk= 2539, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 734, 29,
igr2= 719, 720,
&end
#
# 66 TYR HA 40 LYS HG- 5.50 (# 2540:20 Unique 2.05, 4.04 A)
&rst
ixpk= 2540, nxpk= 20, iat=1026, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 641, 642,
&end
#
# 40 LYS HN 40 LYS HG- 4.50 (# 2541:20 Unique 2.09, 3.32 A)
&rst
ixpk= 2541, nxpk= 20, iat= 634, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 641, 642,
&end
#
# 0 AMB 20-2:2543 0 AMB 20-1:2543 5.50 (# 2543:20 Double Ambig)
&rst
ixpk= 2543, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.17, r4=10.92,
igr1=1320,1321,1320,1321, 408,
igr2=1303,1304,1303,1304, 432, 433, 432, 433,
&end
#
# 82 LYS HE- 82 LYS HG+ 4.50 (# 2544:20 Unique 2.05, 2.96 A)
&rst
ixpk= 2544, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1271,1272,
igr2=1265,1266,
&end
#
# 18 VAL HA 82 LYS HG+ 5.50 (# 2545:20 Unique 2.57, 3.59 A)
&rst
ixpk= 2545, nxpk= 20, iat= 292, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1265,1266,
&end
#
# 82 LYS HN 82 LYS HG+ 5.50 (# 2546:20 Unique 2.14, 3.71 A)
&rst
ixpk= 2546, nxpk= 20, iat=1258, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1265,1266,
&end
#
# 0 AMB 20-2:2547 0 AMB 20-1:2547 5.50 (# 2547:20 Double Ambig)
&rst
ixpk= 2547, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 974, 696,
igr2= 964, 965, 966, 968, 969, 970, 719, 720,
&end
#
# 64 MET HB- 61 LEU MDX 5.50 (# 2548:20 Unique 3.96, 6.52 A)
&rst
ixpk= 2548, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1004,1005,
igr2= 964, 965, 966, 968, 969, 970,
&end
#
# 0 AMB 20-2:2550 61 LEU MDX 4.50 (# 2550:20 Single Ambig)
&rst
ixpk= 2550, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 901, 891,
igr2= 964, 965, 966, 968, 969, 970,
&end
#
# 66 TYR HE 61 LEU MDX 5.50 (# 2551:20 Unique 2.00, 6.33 A)
&rst
ixpk= 2551, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1034,1039,
igr2= 964, 965, 966, 968, 969, 970,
&end
#
# 66 TYR HD 61 LEU MDX 5.50 (# 2552:20 Unique 2.61, 6.43 A)
&rst
ixpk= 2552, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1032,1041,
igr2= 964, 965, 966, 968, 969, 970,
&end
#
# 34 ALA HN 61 LEU MDY 5.50 (# 2553:20 Unique 5.37, 7.35 A)
&rst
ixpk= 2553, nxpk= 20, iat= 558, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 964, 965, 966, 968, 969, 970,
&end
#
# 34 ALA HN 61 LEU MDX 5.50 (# 2554:20 Unique 5.37, 7.35 A)
&rst
ixpk= 2554, nxpk= 20, iat= 558, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 964, 965, 966, 968, 969, 970,
&end
#
# 28 GLU HN 0 AMB 20-1:2555 4.50 (# 2555:20 Single Ambig)
&rst
ixpk= 2555, nxpk= 20, iat= 447, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 432, 433, 432, 433,
&end
#
# 85 GLY HN 0 AMB 20-1:2556 5.50 (# 2556:20 Single Ambig)
&rst
ixpk= 2556, nxpk= 20, iat=1318, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1303,1304,1303,1304,
&end
#
# 0 AMB 20-2:2557 0 AMB 20-1:2557 5.50 (# 2557:20 Double Ambig)
&rst
ixpk= 2557, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.06, r4= 9.81,
igr1=1282, 584,
igr2=1303,1304,1303,1304, 598, 599, 600, 602, 603, 604,
&end
#
# 32 ARG HN 29 VAL MGY 5.50 (# 2558:20 Unique 4.18, 5.77 A)
&rst
ixpk= 2558, nxpk= 20, iat= 515, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 7 VAL HA 29 VAL MGY 5.50 (# 2559:20 Unique 2.57, 4.71 A)
&rst
ixpk= 2559, nxpk= 20, iat= 103, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 16 GLU HB+ 75 LEU MDY 5.50 (# 2560:20 Unique 2.09, 5.84 A)
&rst
ixpk= 2560, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 262, 263,
igr2=1154,1155,1156,1158,1159,1160,
&end
#
# 0 AMB 20-2:2561 75 LEU MDY 5.50 (# 2561:20 Single Ambig)
&rst
ixpk= 2561, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 127, 128, 292,
igr2=1154,1155,1156,1158,1159,1160,
&end
#
# 78 ILE HN 75 LEU MDY 5.50 (# 2562:20 Unique 4.29, 7.04 A)
&rst
ixpk= 2562, nxpk= 20, iat=1198, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1154,1155,1156,1158,1159,1160,
&end
#
# 18 VAL HN 75 LEU MDY 4.50 (# 2563:20 Unique 2.72, 5.11 A)
&rst
ixpk= 2563, nxpk= 20, iat= 290, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1154,1155,1156,1158,1159,1160,
&end
#
# 75 LEU HN 75 LEU MDY 5.50 (# 2564:20 Unique 2.62, 4.86 A)
&rst
ixpk= 2564, nxpk= 20, iat=1145, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1154,1155,1156,1158,1159,1160,
&end
#
# 64 MET ME 61 LEU MDY 5.50 (# 2565:20 Unique 2.00, 5.31 A)
&rst
ixpk= 2565, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1011,1012,1013,
igr2= 964, 965, 966, 968, 969, 970,
&end
#
# 45 LYS HE- 45 LYS HG- 5.50 (# 2566:20 Unique 2.01, 3.05 A)
&rst
ixpk= 2566, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 725, 726,
igr2= 719, 720,
&end
#
# 66 TYR HB- 61 LEU MDY 4.50 (# 2567:20 Unique 4.25, 6.58 A)
&rst
ixpk= 2567, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1028,1029,
igr2= 964, 965, 966, 968, 969, 970,
&end
#
# 76 LYS HA 0 AMB 20-1:2568 4.50 (# 2568:20 Single Ambig)
&rst
ixpk= 2568, nxpk= 20, iat=1166, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2=1171,1172,1171,1172,
&end
#
# 0 AMB 20-2:2569 26 LEU MDY 4.50 (# 2569:20 Single Ambig)
&rst
ixpk= 2569, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 462, 921,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 53 GLN HE2+ 26 LEU MDY 5.50 (# 2570:20 Unique 2.93, 6.42 A)
&rst
ixpk= 2570, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 849, 850,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 26 LEU HN 26 LEU MDY 5.50 (# 2571:20 Unique 3.42, 5.26 A)
&rst
ixpk= 2571, nxpk= 20, iat= 406, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 27 LYS HN 26 LEU MDY 5.50 (# 2572:20 Unique 2.92, 5.52 A)
&rst
ixpk= 2572, nxpk= 20, iat= 425, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 54 SER HN 26 LEU MDY 5.50 (# 2573:20 Unique 3.65, 7.13 A)
&rst
ixpk= 2573, nxpk= 20, iat= 854, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 415, 416, 417, 419, 420, 421,
&end
#
# 54 SER HB- 46 VAL MGY 5.50 (# 2574:20 Unique 2.00, 5.15 A)
&rst
ixpk= 2574, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 858, 859,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 0 AMB 20-2:2575 69 VAL MGY 5.50 (# 2575:20 Single Ambig)
&rst
ixpk= 2575, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 912, 913, 912, 913,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 71 ASN HA 46 VAL MGY 5.50 (# 2576:20 Unique 2.09, 4.38 A)
&rst
ixpk= 2576, nxpk= 20, iat=1109, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 0 AMB 20-2:2577 0 AMB 20-1:2577 5.50 (# 2577:20 Double Ambig)
&rst
ixpk= 2577, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 849, 850,1045,
igr2= 415, 416, 417, 419, 420, 421,1082,1083,1084,1086,
1087,1088,
&end
#
# 72 ALA HN 46 VAL MGY 4.50 (# 2578:20 Unique 2.04, 4.87 A)
&rst
ixpk= 2578, nxpk= 20, iat=1121, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 0 AMB 20-2:2579 18 VAL MGY 5.50 (# 2579:20 Single Ambig)
&rst
ixpk= 2579, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=1234,1235,1149,1150, 313, 314,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 82 LYS HE+ 18 VAL MGY 4.50 (# 2580:20 Unique 2.69, 5.77 A)
&rst
ixpk= 2580, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1271,1272,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 0 AMB 20-2:2581 18 VAL MGY 5.50 (# 2581:20 Single Ambig)
&rst
ixpk= 2581, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 50, 51, 277, 278,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 0 AMB 20-2:2582 18 VAL MGY 5.50 (# 2582:20 Single Ambig)
&rst
ixpk= 2582, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.70, r4=10.45,
igr1= 325, 326,1245,1246,1147,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 0 AMB 20-2:2584 18 VAL MGY 5.50 (# 2584:20 Single Ambig)
&rst
ixpk= 2584, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 61,1227,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 4 TRP HE3 18 VAL MGY 4.50 (# 2585:20 Unique 2.92, 5.21 A)
&rst
ixpk= 2585, nxpk= 20, iat= 65, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 19 GLN HN 18 VAL MGY 4.50 (# 2586:20 Unique 1.95, 4.01 A)
&rst
ixpk= 2586, nxpk= 20, iat= 306, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 44 VAL HA 46 VAL MGY 5.50 (# 2588:20 Unique 4.91, 6.67 A)
&rst
ixpk= 2588, nxpk= 20, iat= 698, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 57 ALA HN 46 VAL MGY 4.50 (# 2591:20 Unique 3.97, 6.05 A)
&rst
ixpk= 2591, nxpk= 20, iat= 889, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 3 HIS HB+ 44 VAL MGX 5.50 (# 2592:20 Unique 2.69, 5.97 A)
&rst
ixpk= 2592, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 33, 34,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 0 AMB 20-2:2593 44 VAL MGX 5.50 (# 2593:20 Single Ambig)
&rst
ixpk= 2593, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 714, 31,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 69 VAL HA 44 VAL MGX 5.50 (# 2594:20 Unique 2.07, 5.30 A)
&rst
ixpk= 2594, nxpk= 20, iat=1078, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 0 AMB 20-2:2595 44 VAL MGX 5.50 (# 2595:20 Single Ambig)
&rst
ixpk= 2595, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 734, 29,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 70 GLU HN 44 VAL MGX 5.50 (# 2596:20 Unique 2.55, 5.95 A)
&rst
ixpk= 2596, nxpk= 20, iat=1092, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 5 ILE HN 44 VAL MGX 5.50 (# 2597:20 Unique 3.59, 6.44 A)
&rst
ixpk= 2597, nxpk= 20, iat= 70, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 41 ASN HA 67 THR MG2 5.50 (# 2599:20 Unique 4.26, 6.20 A)
&rst
ixpk= 2599, nxpk= 20, iat= 658, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1051,1052,1053,
&end
#
# 36 ALA HN 35 THR MG2 4.50 (# 2600:20 Unique 4.12, 4.92 A)
&rst
ixpk= 2600, nxpk= 20, iat= 582, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 574, 575, 576,
&end
#
# 11 GLU HN 9 VAL MGY 5.50 (# 2601:20 Unique 2.14, 4.47 A)
&rst
ixpk= 2601, nxpk= 20, iat= 171, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 147, 148, 149, 151, 152, 153,
&end
#
# 68 HIS HN 67 THR MG2 5.50 (# 2602:20 Unique 4.39, 5.21 A)
&rst
ixpk= 2602, nxpk= 20, iat=1059, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1051,1052,1053,
&end
#
# 3 HIS HD2 44 VAL MGY 5.50 (# 2604:20 Unique 3.01, 5.34 A)
&rst
ixpk= 2604, nxpk= 20, iat= 42, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 18 VAL HA 21 ALA MB 5.50 (# 2605:20 Unique 4.53, 6.11 A)
&rst
ixpk= 2605, nxpk= 20, iat= 292, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 334, 335, 336,
&end
#
# 0 AMB 20-2:2606 21 ALA MB 5.50 (# 2606:20 Single Ambig)
&rst
ixpk= 2606, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 325, 326, 91,
igr2= 334, 335, 336,
&end
#
# 66 TYR HD 0 AMB 20-1:2609 4.50 (# 2609:20 Single Ambig)
&rst
ixpk= 2609, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1032,1041,
igr2= 702, 703, 704, 706, 707, 708,1082,1083,1084,1086,
1087,1088,
&end
#
# 32 ARG HN 29 VAL MGX 5.50 (# 2610:20 Unique 4.18, 5.77 A)
&rst
ixpk= 2610, nxpk= 20, iat= 515, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 0 AMB 20-2:2611 29 VAL MGX 5.50 (# 2611:20 Single Ambig)
&rst
ixpk= 2611, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 375, 427, 957,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 7 VAL HB 29 VAL MGX 4.50 (# 2612:20 Unique 2.70, 5.03 A)
&rst
ixpk= 2612, nxpk= 20, iat= 105, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 7 VAL HB 29 VAL MGX 4.50 (# 2613:20 Unique 2.70, 5.03 A)
&rst
ixpk= 2613, nxpk= 20, iat= 105, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 468, 469, 470, 472, 473, 474,
&end
#
# 42 ASP HB- 43 THR MG2 5.50 (# 2614:20 Unique 6.22, 7.20 A)
&rst
ixpk= 2614, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 674, 675,
igr2= 688, 689, 690,
&end
#
# 68 HIS HB- 43 THR MG2 4.50 (# 2615:20 Unique 3.59, 5.47 A)
&rst
ixpk= 2615, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1063,1064,
igr2= 688, 689, 690,
&end
#
# 44 VAL HA 43 THR MG2 5.50 (# 2616:20 Unique 4.11, 4.96 A)
&rst
ixpk= 2616, nxpk= 20, iat= 698, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 688, 689, 690,
&end
#
# 0 AMB 20-2:2617 43 THR MG2 4.50 (# 2617:20 Single Ambig)
&rst
ixpk= 2617, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 29, 14,
igr2= 688, 689, 690,
&end
#
# 45 LYS HN 43 THR MG2 5.50 (# 2618:20 Unique 3.72, 4.78 A)
&rst
ixpk= 2618, nxpk= 20, iat= 712, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 688, 689, 690,
&end
#
# 70 GLU HN 43 THR MG2 5.50 (# 2619:20 Unique 2.20, 4.11 A)
&rst
ixpk= 2619, nxpk= 20, iat=1092, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 688, 689, 690,
&end
#
# 51 GLY HN 50 ALA MB 5.50 (# 2620:20 Unique 1.95, 2.98 A)
&rst
ixpk= 2620, nxpk= 20, iat= 806, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 800, 801, 802,
&end
#
# 74 GLY HA- 50 ALA MB 5.50 (# 2621:20 Unique 4.48, 6.10 A)
&rst
ixpk= 2621, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1140,1141,
igr2= 800, 801, 802,
&end
#
# 0 AMB 20-2:2622 50 ALA MB 5.50 (# 2622:20 Single Ambig)
&rst
ixpk= 2622, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 823, 824, 823, 824, 775, 776,
igr2= 800, 801, 802,
&end
#
# 49 ASN HB+ 50 ALA MB 5.50 (# 2623:20 Unique 3.15, 5.11 A)
&rst
ixpk= 2623, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 786, 787,
igr2= 800, 801, 802,
&end
#
# 49 ASN HB- 50 ALA MB 4.50 (# 2624:20 Unique 3.15, 5.11 A)
&rst
ixpk= 2624, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 786, 787,
igr2= 800, 801, 802,
&end
#
# 0 AMB 20-2:2628 7 VAL MGY 5.50 (# 2628:20 Single Ambig)
&rst
ixpk= 2628, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 408, 891,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 7 VAL HN 7 VAL MGY 4.50 (# 2629:20 Unique 1.96, 3.03 A)
&rst
ixpk= 2629, nxpk= 20, iat= 101, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 0 AMB 20-2:2630 7 VAL MGY 3.50 (# 2630:20 Single Ambig)
&rst
ixpk= 2630, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 738, 410, 411,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 0 AMB 20-2:2631 7 VAL MGY 4.50 (# 2631:20 Single Ambig)
&rst
ixpk= 2631, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 408, 891,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 0 AMB 20-2:2632 7 VAL MGY 5.50 (# 2632:20 Single Ambig)
&rst
ixpk= 2632, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 462, 872, 373,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 26 LEU HN 7 VAL MGY 5.50 (# 2633:20 Unique 3.50, 5.28 A)
&rst
ixpk= 2633, nxpk= 20, iat= 406, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 0 AMB 20-2:2634 7 VAL MGY 5.50 (# 2634:20 Single Ambig)
&rst
ixpk= 2634, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 750, 889,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 19 GLN HA 83 VAL MGY 4.50 (# 2635:20 Unique 2.12, 4.62 A)
&rst
ixpk= 2635, nxpk= 20, iat= 308, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1286,1287,1288,1290,1291,1292,
&end
#
# 84 LYS HA 83 VAL MGY 5.50 (# 2637:20 Unique 3.62, 5.91 A)
&rst
ixpk= 2637, nxpk= 20, iat=1298, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1286,1287,1288,1290,1291,1292,
&end
#
# 0 AMB 20-2:2638 36 ALA MB 3.50 (# 2638:20 Single Ambig)
&rst
ixpk= 2638, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.06, r4= 6.81,
igr1= 83, 84, 85, 386, 387, 388, 379, 380, 381,
igr2= 586, 587, 588,
&end
#
# 0 AMB 20-2:2639 36 ALA MB 4.50 (# 2639:20 Single Ambig)
&rst
ixpk= 2639, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 594, 570,
igr2= 586, 587, 588,
&end
#
# 71 ASN HB+ 46 VAL MGX 5.50 (# 2640:20 Unique 4.21, 6.78 A)
&rst
ixpk= 2640, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1111,1112,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 0 AMB 20-2:2641 46 VAL MGX 4.50 (# 2641:20 Single Ambig)
&rst
ixpk= 2641, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 901, 891,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 70 GLU HN 46 VAL MGX 5.50 (# 2642:20 Unique 3.66, 5.64 A)
&rst
ixpk= 2642, nxpk= 20, iat=1092, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 68 HIS HE1 1 ALA MB 5.50 (# 2643:20 Unique 5.14, 7.19 A)
&rst
ixpk= 2643, nxpk= 20, iat=1069, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 8, 9, 10,
&end
#
# 41 ASN HD2+ 1 ALA MB 5.50 (# 2644:20 Unique 3.25, 5.54 A)
&rst
ixpk= 2644, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 665, 666,
igr2= 8, 9, 10,
&end
#
# 2 GLU HA 1 ALA MB 5.50 (# 2645:20 Unique 4.47, 5.42 A)
&rst
ixpk= 2645, nxpk= 20, iat= 16, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 8, 9, 10,
&end
#
# 0 AMB 20-2:2646 1 ALA MB 5.50 (# 2646:20 Single Ambig)
&rst
ixpk= 2646, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 674, 675,1063,1064,
igr2= 8, 9, 10,
&end
#
# 41 ASN HB- 1 ALA MB 4.50 (# 2647:20 Unique 4.81, 7.29 A)
&rst
ixpk= 2647, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 660, 661,
igr2= 8, 9, 10,
&end
#
# 78 ILE QD1 72 ALA MB 3.50 (# 2648:20 Unique 2.00, 4.81 A)
&rst
ixpk= 2648, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1211,1212,1213,
igr2=1125,1126,1127,
&end
#
# 47 TYR HA 72 ALA MB 5.50 (# 2649:20 Unique 2.07, 3.68 A)
&rst
ixpk= 2649, nxpk= 20, iat= 752, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1125,1126,1127,
&end
#
# 4 TRP HE3 72 ALA MB 5.50 (# 2650:20 Unique 3.69, 4.80 A)
&rst
ixpk= 2650, nxpk= 20, iat= 65, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1125,1126,1127,
&end
#
# 73 GLY HN 72 ALA MB 4.50 (# 2651:20 Unique 1.97, 3.34 A)
&rst
ixpk= 2651, nxpk= 20, iat=1131, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1125,1126,1127,
&end
#
# 84 LYS HA 83 VAL MGX 5.50 (# 2653:20 Unique 3.62, 5.91 A)
&rst
ixpk= 2653, nxpk= 20, iat=1298, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1286,1287,1288,1290,1291,1292,
&end
#
# 82 LYS HN 83 VAL MGX 5.50 (# 2654:20 Unique 4.19, 6.73 A)
&rst
ixpk= 2654, nxpk= 20, iat=1258, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1286,1287,1288,1290,1291,1292,
&end
#
# 19 GLN HN 83 VAL MGX 5.50 (# 2655:20 Unique 2.74, 5.67 A)
&rst
ixpk= 2655, nxpk= 20, iat= 306, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1286,1287,1288,1290,1291,1292,
&end
#
# 0 AMB 20-2:2657 18 VAL MGX 4.50 (# 2657:20 Single Ambig)
&rst
ixpk= 2657, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1234,1235,1149,1150, 313, 314,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 0 AMB 20-2:2658 18 VAL MGX 4.50 (# 2658:20 Single Ambig)
&rst
ixpk= 2658, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1268,1269,1202,1262,1263,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 0 AMB 20-2:2659 18 VAL MGX 4.50 (# 2659:20 Single Ambig)
&rst
ixpk= 2659, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 50, 51, 277, 278,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 47 TYR HE 18 VAL MGX 5.50 (# 2661:20 Unique 2.00, 5.15 A)
&rst
ixpk= 2661, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 760, 765,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 4 TRP HE3 18 VAL MGX 5.50 (# 2662:20 Unique 2.92, 5.21 A)
&rst
ixpk= 2662, nxpk= 20, iat= 65, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 18 VAL HN 18 VAL MGX 5.50 (# 2663:20 Unique 1.95, 3.81 A)
&rst
ixpk= 2663, nxpk= 20, iat= 290, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 0 AMB 20-2:2664 18 VAL MGX 5.50 (# 2664:20 Single Ambig)
&rst
ixpk= 2664, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 330,1280,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 38 PRO HD- 37 VAL MGX 5.50 (# 2665:20 Unique 3.70, 5.29 A)
&rst
ixpk= 2665, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 609, 610,
igr2= 598, 599, 600, 602, 603, 604,
&end
#
# 38 PRO HD+ 37 VAL MGX 5.50 (# 2666:20 Unique 3.70, 5.29 A)
&rst
ixpk= 2666, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 609, 610,
igr2= 598, 599, 600, 602, 603, 604,
&end
#
# 33 ILE HA 37 VAL MGX 5.50 (# 2667:20 Unique 3.18, 5.70 A)
&rst
ixpk= 2667, nxpk= 20, iat= 541, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 598, 599, 600, 602, 603, 604,
&end
#
# 64 MET HB- 33 ILE QG2 5.50 (# 2674:20 Unique 4.35, 5.65 A)
&rst
ixpk= 2674, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1004,1005,
igr2= 545, 546, 547,
&end
#
# 64 MET HB+ 33 ILE QG2 5.50 (# 2675:20 Unique 4.35, 5.65 A)
&rst
ixpk= 2675, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1004,1005,
igr2= 545, 546, 547,
&end
#
# 0 AMB 20-2:2676 33 ILE QG2 5.50 (# 2676:20 Single Ambig)
&rst
ixpk= 2676, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1032,1041, 568,
igr2= 545, 546, 547,
&end
#
# 32 ARG HN 33 ILE QG2 5.50 (# 2677:20 Unique 3.42, 4.66 A)
&rst
ixpk= 2677, nxpk= 20, iat= 515, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 545, 546, 547,
&end
#
# 32 ARG HN 24 ILE QG2 4.50 (# 2678:20 Unique 3.63, 5.08 A)
&rst
ixpk= 2678, nxpk= 20, iat= 515, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 379, 380, 381,
&end
#
# 71 ASN HD2+ 57 ALA MB 4.50 (# 2679:20 Unique 4.04, 5.93 A)
&rst
ixpk= 2679, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1116,1117,
igr2= 893, 894, 895,
&end
#
# 56 GLN HN 57 ALA MB 5.50 (# 2680:20 Unique 4.21, 5.20 A)
&rst
ixpk= 2680, nxpk= 20, iat= 872, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 893, 894, 895,
&end
#
# 0 AMB 20-2:2682 7 VAL MGX 5.50 (# 2682:20 Single Ambig)
&rst
ixpk= 2682, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 750, 889,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 26 LEU HN 7 VAL MGX 5.50 (# 2683:20 Unique 3.50, 5.28 A)
&rst
ixpk= 2683, nxpk= 20, iat= 406, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 0 AMB 20-2:2684 7 VAL MGX 5.50 (# 2684:20 Single Ambig)
&rst
ixpk= 2684, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 117, 849, 850,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 47 TYR HA 7 VAL MGX 5.50 (# 2685:20 Unique 4.16, 6.16 A)
&rst
ixpk= 2685, nxpk= 20, iat= 752, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 7 VAL HA 7 VAL MGX 4.50 (# 2686:20 Unique 2.43, 3.52 A)
&rst
ixpk= 2686, nxpk= 20, iat= 103, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 53 GLN HA 7 VAL MGX 5.50 (# 2688:20 Unique 4.48, 7.23 A)
&rst
ixpk= 2688, nxpk= 20, iat= 839, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 0 AMB 20-2:2689 7 VAL MGX 5.50 (# 2689:20 Single Ambig)
&rst
ixpk= 2689, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 408, 891,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 0 AMB 20-2:2690 34 ALA MB 5.50 (# 2690:20 Single Ambig)
&rst
ixpk= 2690, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 647, 648, 647, 648,
igr2= 562, 563, 564,
&end
#
# 0 AMB 20-2:2691 34 ALA MB 4.50 (# 2691:20 Single Ambig)
&rst
ixpk= 2691, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 539, 592,
igr2= 562, 563, 564,
&end
#
# 13 TYR HN 9 VAL MGX 5.50 (# 2693:20 Unique 3.30, 5.89 A)
&rst
ixpk= 2693, nxpk= 20, iat= 203, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 147, 148, 149, 151, 152, 153,
&end
#
# 82 LYS HE- 78 ILE QG2 4.50 (# 2694:20 Unique 2.18, 5.35 A)
&rst
ixpk= 2694, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1271,1272,
igr2=1204,1205,1206,
&end
#
# 82 LYS HE+ 78 ILE QG2 4.50 (# 2695:20 Unique 2.18, 5.35 A)
&rst
ixpk= 2695, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1271,1272,
igr2=1204,1205,1206,
&end
#
# 79 ALA HA 78 ILE QG2 5.50 (# 2696:20 Unique 3.85, 5.33 A)
&rst
ixpk= 2696, nxpk= 20, iat=1219, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1204,1205,1206,
&end
#
# 79 ALA HN 78 ILE QG2 4.50 (# 2697:20 Unique 2.43, 3.81 A)
&rst
ixpk= 2697, nxpk= 20, iat=1217, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1204,1205,1206,
&end
#
# 78 ILE HN 78 ILE QG2 4.50 (# 2698:20 Unique 4.39, 4.59 A)
&rst
ixpk= 2698, nxpk= 20, iat=1198, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1204,1205,1206,
&end
#
# 0 AMB 20-2:2701 64 MET ME 5.50 (# 2701:20 Single Ambig)
&rst
ixpk= 2701, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1000,1017,
igr2=1011,1012,1013,
&end
#
# 61 LEU MDX 60 ILE QG2 4.50 (# 2702:20 Unique 3.52, 6.39 A)
&rst
ixpk= 2702, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 964, 965, 966, 968, 969, 970,
igr2= 942, 943, 944,
&end
#
# 59 GLU HN 60 ILE QG2 5.50 (# 2703:20 Unique 6.53, 6.81 A)
&rst
ixpk= 2703, nxpk= 20, iat= 921, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 942, 943, 944,
&end
#
# 0 AMB 20-2:2704 60 ILE QG2 5.50 (# 2704:20 Single Ambig)
&rst
ixpk= 2704, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1000, 884, 885,
igr2= 942, 943, 944,
&end
#
# 7 VAL HA 5 ILE QG2 5.50 (# 2706:20 Unique 3.27, 4.29 A)
&rst
ixpk= 2706, nxpk= 20, iat= 103, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 76, 77, 78,
&end
#
# 5 ILE HN 5 ILE QG2 5.50 (# 2707:20 Unique 4.32, 4.69 A)
&rst
ixpk= 2707, nxpk= 20, iat= 70, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 76, 77, 78,
&end
#
# 78 ILE HA 79 ALA MB 5.50 (# 2709:20 Unique 4.18, 4.98 A)
&rst
ixpk= 2709, nxpk= 20, iat=1200, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1221,1222,1223,
&end
#
# 33 ILE QG2 33 ILE QD1 3.50 (# 2710:20 Unique 3.56, 4.63 A)
&rst
ixpk= 2710, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 545, 546, 547,
igr2= 552, 553, 554,
&end
#
# 44 VAL MGY 33 ILE QD1 3.50 (# 2711:20 Unique 2.00, 3.87 A)
&rst
ixpk= 2711, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 702, 703, 704, 706, 707, 708,
igr2= 552, 553, 554,
&end
#
# 36 ALA HN 33 ILE QD1 5.50 (# 2712:20 Unique 4.43, 5.98 A)
&rst
ixpk= 2712, nxpk= 20, iat= 582, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 552, 553, 554,
&end
#
# 0 AMB 20-2:2713 0 AMB 20-1:2713 3.50 (# 2713:20 Double Ambig)
&rst
ixpk= 2713, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.32, r4= 8.07,
igr1=1154,1155,1156,1158,1159,1160,1208,1209, 468, 469,
470, 472, 473, 474,
igr2=1211,1212,1213, 552, 553, 554,
&end
#
# 47 TYR HA 78 ILE QD1 5.50 (# 2714:20 Unique 4.13, 5.57 A)
&rst
ixpk= 2714, nxpk= 20, iat= 752, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1211,1212,1213,
&end
#
# 4 TRP HH2 78 ILE QD1 4.50 (# 2715:20 Unique 2.25, 3.67 A)
&rst
ixpk= 2715, nxpk= 20, iat= 61, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1211,1212,1213,
&end
#
# 0 AMB 20-2:2716 78 ILE QD1 5.50 (# 2716:20 Single Ambig)
&rst
ixpk= 2716, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1145, 771,
igr2=1211,1212,1213,
&end
#
# 0 AMB 20-2:2717 60 ILE QD1 5.50 (# 2717:20 Single Ambig)
&rst
ixpk= 2717, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 491, 492, 491, 492,
igr2= 949, 950, 951,
&end
#
# 59 GLU HN 60 ILE QD1 5.50 (# 2718:20 Unique 4.37, 5.78 A)
&rst
ixpk= 2718, nxpk= 20, iat= 921, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 949, 950, 951,
&end
#
# 0 AMB 20-2:2719 60 ILE QD1 5.50 (# 2719:20 Single Ambig)
&rst
ixpk= 2719, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 889, 955,
igr2= 949, 950, 951,
&end
#
# 3 HIS HB+ 22 ILE QD1 5.50 (# 2721:20 Unique 2.66, 5.97 A)
&rst
ixpk= 2721, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 33, 34,
igr2= 353, 354, 355,
&end
#
# 22 ILE HA 22 ILE QD1 5.50 (# 2722:20 Unique 2.07, 3.33 A)
&rst
ixpk= 2722, nxpk= 20, iat= 342, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 353, 354, 355,
&end
#
# 23 ASN HN 22 ILE QD1 5.50 (# 2723:20 Unique 3.85, 5.34 A)
&rst
ixpk= 2723, nxpk= 20, iat= 359, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 353, 354, 355,
&end
#
# 0 AMB 20-2:2724 24 ILE QD1 2.80 (# 2724:20 Single Ambig)
&rst
ixpk= 2724, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 468, 469, 470, 472, 473, 474, 383, 384,
igr2= 386, 387, 388,
&end
#
# 33 ILE HN 24 ILE QD1 5.50 (# 2725:20 Unique 3.67, 4.91 A)
&rst
ixpk= 2725, nxpk= 20, iat= 539, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 386, 387, 388,
&end
#
# 0 AMB 20-2:2726 24 ILE QD1 5.50 (# 2726:20 Single Ambig)
&rst
ixpk= 2726, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 462, 373,
igr2= 386, 387, 388,
&end
#
# 36 ALA HN 24 ILE QD1 5.50 (# 2727:20 Unique 5.28, 5.99 A)
&rst
ixpk= 2727, nxpk= 20, iat= 582, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 386, 387, 388,
&end
#
# 24 ILE HA 24 ILE QD1 4.50 (# 2728:20 Unique 4.47, 4.87 A)
&rst
ixpk= 2728, nxpk= 20, iat= 375, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 386, 387, 388,
&end
#
# 29 VAL HA 24 ILE QD1 4.50 (# 2729:20 Unique 2.00, 3.88 A)
&rst
ixpk= 2729, nxpk= 20, iat= 464, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 386, 387, 388,
&end
#
# 24 ILE HB 24 ILE QD1 3.50 (# 2730:20 Unique 2.45, 3.17 A)
&rst
ixpk= 2730, nxpk= 20, iat= 377, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 386, 387, 388,
&end
#
# 3 HIS HB- 5 ILE QD1 4.50 (# 2731:20 Unique 2.55, 4.34 A)
&rst
ixpk= 2731, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 33, 34,
igr2= 83, 84, 85,
&end
#
# 6 ASP HN 5 ILE QD1 5.50 (# 2732:20 Unique 3.33, 4.88 A)
&rst
ixpk= 2732, nxpk= 20, iat= 89, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 83, 84, 85,
&end
#
# 5 ILE HN 5 ILE QD1 5.50 (# 2733:20 Unique 2.52, 4.49 A)
&rst
ixpk= 2733, nxpk= 20, iat= 70, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 83, 84, 85,
&end
#
# 17 HIS HB+ 17 HIS HA 3.50 (# 2734:20 Unique 2.36, 2.47 A)
&rst
ixpk= 2734, nxpk= 20, iat= -1, 275, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 277, 278,
&end
#
# 71 ASN HB+ 70 GLU HA 4.50 (# 2735:20 Unique 4.07, 4.77 A)
&rst
ixpk= 2735, nxpk= 20, iat= -1,1094, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1111,1112,
&end
#
# 2 GLU HA 1 ALA HA 4.50 (# 2736:20 Unique 4.30, 4.35 A)
&rst
ixpk= 2736, nxpk= 20, iat= 16, 6, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 85 GLY HN 85 GLY HA- 3.50 (# 2737:20 Unique 2.30, 2.70 A)
&rst
ixpk= 2737, nxpk= 20, iat=1318, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1320,1321,
&end
#
# 0 AMB 20-2:2738 40 LYS HB- 5.50 (# 2738:20 Single Ambig)
&rst
ixpk= 2738, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 647, 648, 647, 648,
igr2= 638, 639,
&end
#
# 64 MET ME 30 LYS HG- 4.50 (# 2739:20 Unique 2.07, 4.90 A)
&rst
ixpk= 2739, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1011,1012,1013,
igr2= 485, 486,
&end
#
# 35 THR HB 35 THR MG2 2.80 (# 2740:20 Unique 2.23, 2.64 A)
&rst
ixpk= 2740, nxpk= 20, iat= 572, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 574, 575, 576,
&end
#
# 33 ILE HG1- 33 ILE QG2 3.50 (# 2741:20 Unique 2.09, 3.14 A)
&rst
ixpk= 2741, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 549, 550,
igr2= 545, 546, 547,
&end
#
# 84 LYS HA 85 GLY HA- 5.50 (# 2742:20 Unique 4.30, 4.42 A)
&rst
ixpk= 2742, nxpk= 20, iat=1298, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1320,1321,
&end
#
# 0 AMB 20-2:2743 85 GLY HA- 5.50 (# 2743:20 Single Ambig)
&rst
ixpk= 2743, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 231, 232, 231, 232,
igr2=1320,1321,
&end
#
# 0 AMB 20-2:2744 0 AMB 20-1:2744 5.50 (# 2744:20 Double Ambig)
&rst
ixpk= 2744, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.06, r4= 9.81,
igr1=1149,1150, 800, 801, 802,
igr2=1140,1141,1140,1141,
&end
#
# 78 ILE HN 77 ASP HB- 4.50 (# 2745:20 Unique 2.71, 3.69 A)
&rst
ixpk= 2745, nxpk= 20, iat=1198, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1190,1191,
&end
#
# 4 TRP HE3 4 TRP HB- 4.50 (# 2747:20 Unique 2.51, 3.41 A)
&rst
ixpk= 2747, nxpk= 20, iat= 65, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 50, 51,
&end
#
# 0 AMB 20-2:2748 59 GLU HA 5.50 (# 2748:20 Single Ambig)
&rst
ixpk= 2748, nxpk= 20, iat= -1, 923, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 955, 899,
&end
#
# 47 TYR HA 54 SER HA 5.50 (# 2750:20 Unique 4.61, 5.31 A)
&rst
ixpk= 2750, nxpk= 20, iat= 752, 856, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:2754 80 MET ME 5.50 (# 2754:20 Single Ambig)
&rst
ixpk= 2754, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 318, 319, 65,
igr2=1238,1239,1240,
&end
#
# 4 TRP HE1 80 MET ME 4.50 (# 2755:20 Unique 2.29, 3.66 A)
&rst
ixpk= 2755, nxpk= 20, iat= 56, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1238,1239,1240,
&end
#
# 0 AMB 20-2:2756 80 MET ME 5.50 (# 2756:20 Single Ambig)
&rst
ixpk= 2756, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.64, r4= 9.39,
igr1= 310, 311, 334, 335, 336,
igr2=1238,1239,1240,
&end
#
# 0 AMB 20-2:2758 80 MET ME 3.50 (# 2758:20 Single Ambig)
&rst
ixpk= 2758, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 296, 297, 298, 300, 301, 302, 296, 297, 298, 300,
301, 302,
igr2=1238,1239,1240,
&end
#
# 78 ILE QG2 80 MET ME 5.50 (# 2759:20 Unique 2.75, 5.06 A)
&rst
ixpk= 2759, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1204,1205,1206,
igr2=1238,1239,1240,
&end
#
# 80 MET HB- 80 MET ME 4.50 (# 2760:20 Unique 2.10, 3.48 A)
&rst
ixpk= 2760, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1231,1232,
igr2=1238,1239,1240,
&end
#
# 80 MET HG+ 80 MET ME 3.50 (# 2761:20 Unique 2.32, 3.66 A)
&rst
ixpk= 2761, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1234,1235,
igr2=1238,1239,1240,
&end
#
# 81 PRO HG- 80 MET ME 4.50 (# 2762:20 Unique 3.65, 5.77 A)
&rst
ixpk= 2762, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1248,1249,
igr2=1238,1239,1240,
&end
#
# 0 AMB 20-2:2763 80 MET ME 3.50 (# 2763:20 Single Ambig)
&rst
ixpk= 2763, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1245,1246, 292,
igr2=1238,1239,1240,
&end
#
# 81 PRO HD+ 80 MET ME 4.50 (# 2764:20 Unique 2.83, 4.97 A)
&rst
ixpk= 2764, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1245,1246,
igr2=1238,1239,1240,
&end
#
# 80 MET HA 80 MET ME 5.50 (# 2765:20 Unique 4.62, 5.29 A)
&rst
ixpk= 2765, nxpk= 20, iat=1229, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1238,1239,1240,
&end
#
# 0 AMB 20-2:2766 80 MET ME 5.50 (# 2766:20 Single Ambig)
&rst
ixpk= 2766, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 61,1227,
igr2=1238,1239,1240,
&end
#
# 4 TRP HZ2 80 MET ME 5.50 (# 2767:20 Unique 2.29, 4.34 A)
&rst
ixpk= 2767, nxpk= 20, iat= 59, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1238,1239,1240,
&end
#
# 19 GLN HA 19 GLN HN 4.50 (# 1:10 Unique 2.76, 2.80 A)
&rst
ixpk= 1, nxpk= 10, iat= 308, 306, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,
rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
&end
#
# 18 VAL HA 19 GLN HN 2.80 (# 2:10 Unique 2.14, 2.20 A)
&rst
ixpk= 2, nxpk= 10, iat= 292, 306, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 19 GLN HB+ 19 GLN HN 3.50 (# 3:10 Unique 2.09, 2.56 A)
&rst
ixpk= 3, nxpk= 10, iat= -1, 306, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 310, 311,
&end
#
# 19 GLN HB- 19 GLN HN 3.50 (# 4:10 Unique 2.09, 2.56 A)
&rst
ixpk= 4, nxpk= 10, iat= -1, 306, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 310, 311,
&end
#
# 0 AMB 10-2:5 19 GLN HN 3.50 (# 5:10 Single Ambig)
&rst
ixpk= 5, nxpk= 10, iat= -1, 306, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 296, 297, 298, 300, 301, 302, 296, 297, 298, 300,
301, 302,
&end
#
# 73 GLY HN 72 ALA HN 4.50 (# 6:10 Unique 2.10, 2.56 A)
&rst
ixpk= 6, nxpk= 10, iat=1131,1121, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 71 ASN HA 72 ALA HN 2.80 (# 7:10 Unique 2.14, 2.20 A)
&rst
ixpk= 7, nxpk= 10, iat=1109,1121, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 72 ALA MB 72 ALA HN 3.50 (# 8:10 Unique 2.10, 2.97 A)
&rst
ixpk= 8, nxpk= 10, iat= -1,1121, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1125,1126,1127,
&end
#
# 72 ALA HA 72 ALA HN 4.50 (# 9:10 Unique 2.76, 2.88 A)
&rst
ixpk= 9, nxpk= 10, iat=1123,1121, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 80 MET ME 4 TRP HE1 4.50 (# 10:10 Unique 2.29, 3.66 A)
&rst
ixpk= 10, nxpk= 10, iat= -1, 56, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1238,1239,1240,
&end
#
# 4 TRP HZ2 4 TRP HE1 4.50 (# 11:10 Unique 2.82, 2.82 A)
&rst
ixpk= 11, nxpk= 10, iat= 59, 56, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 4 TRP HD1 4 TRP HE1 3.50 (# 12:10 Unique 2.57, 2.57 A)
&rst
ixpk= 12, nxpk= 10, iat= 54, 56, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:13 4 TRP HE1 5.50 (# 13:10 Single Ambig)
&rst
ixpk= 13, nxpk= 10, iat= -1, 56, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 21, 22, 21, 22,
&end
#
# 69 VAL HA 44 VAL HN 4.50 (# 15:10 Unique 1.99, 2.79 A)
&rst
ixpk= 15, nxpk= 10, iat=1078, 696, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 44 VAL HA 44 VAL HN 4.50 (# 16:10 Unique 2.91, 2.93 A)
&rst
ixpk= 16, nxpk= 10, iat= 698, 696, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:17 44 VAL HN 3.50 (# 17:10 Single Ambig)
&rst
ixpk= 17, nxpk= 10, iat= -1, 696, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 700,1096,1097,
&end
#
# 43 THR MG2 44 VAL HN 4.50 (# 18:10 Unique 1.96, 3.41 A)
&rst
ixpk= 18, nxpk= 10, iat= -1, 696, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 688, 689, 690,
&end
#
# 0 AMB 10-2:19 44 VAL HN 3.50 (# 19:10 Single Ambig)
&rst
ixpk= 19, nxpk= 10, iat= -1, 696, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 702, 703, 704, 706, 707, 708,1082,1083,1084,1086,
1087,1088,
&end
#
# 45 LYS HA 45 LYS HN 5.50 (# 20:10 Unique 2.84, 2.88 A)
&rst
ixpk= 20, nxpk= 10, iat= 714, 712, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 44 VAL HA 45 LYS HN 2.80 (# 21:10 Unique 2.14, 2.18 A)
&rst
ixpk= 21, nxpk= 10, iat= 698, 712, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:22 45 LYS HN 5.50 (# 22:10 Single Ambig)
&rst
ixpk= 22, nxpk= 10, iat= -1, 712, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 702, 703, 704, 706, 707, 708, 722, 723,
&end
#
# 0 AMB 10-2:23 45 LYS HN 3.50 (# 23:10 Single Ambig)
&rst
ixpk= 23, nxpk= 10, iat= -1, 712, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 719, 720, 702, 703, 704, 706, 707, 708,
&end
#
# 0 AMB 10-2:24 45 LYS HN 2.80 (# 24:10 Single Ambig)
&rst
ixpk= 24, nxpk= 10, iat= -1, 712, r1= 0.00, r2= 1.80, r3= 3.87, r4= 4.62,
igr1= 716, 717, 719, 720, 83, 84, 85,
&end
#
# 5 ILE HA 6 ASP HN 3.50 (# 25:10 Unique 2.14, 2.19 A)
&rst
ixpk= 25, nxpk= 10, iat= 72, 89, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 5 ILE QG2 6 ASP HN 4.50 (# 26:10 Unique 2.07, 3.64 A)
&rst
ixpk= 26, nxpk= 10, iat= -1, 89, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 76, 77, 78,
&end
#
# 69 VAL HA 70 GLU HN 2.80 (# 27:10 Unique 2.14, 2.24 A)
&rst
ixpk= 27, nxpk= 10, iat=1078,1092, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:28 70 GLU HN 4.50 (# 28:10 Single Ambig)
&rst
ixpk= 28, nxpk= 10, iat= -1,1092, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 714,1109,
&end
#
# 0 AMB 10-2:29 70 GLU HN 4.50 (# 29:10 Single Ambig)
&rst
ixpk= 29, nxpk= 10, iat= -1,1092, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1080,1096,1097,
&end
#
# 0 AMB 10-2:30 70 GLU HN 4.50 (# 30:10 Single Ambig)
&rst
ixpk= 30, nxpk= 10, iat= -1,1092, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 909, 910,1096,1097,
&end
#
# 6 ASP HB+ 6 ASP HN 4.50 (# 31:10 Unique 2.08, 2.72 A)
&rst
ixpk= 31, nxpk= 10, iat= -1, 89, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 93, 94,
&end
#
# 6 ASP HB- 6 ASP HN 4.50 (# 32:10 Unique 2.08, 2.72 A)
&rst
ixpk= 32, nxpk= 10, iat= -1, 89, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 93, 94,
&end
#
# 68 HIS HB- 68 HIS HN 4.50 (# 33:10 Unique 2.53, 3.32 A)
&rst
ixpk= 33, nxpk= 10, iat= -1,1059, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1063,1064,
&end
#
# 67 THR HN 68 HIS HN 3.50 (# 34:10 Unique 1.93, 2.57 A)
&rst
ixpk= 34, nxpk= 10, iat=1045,1059, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 68 HIS HA 68 HIS HN 4.50 (# 35:10 Unique 2.80, 2.89 A)
&rst
ixpk= 35, nxpk= 10, iat=1061,1059, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:37 68 HIS HN 5.50 (# 37:10 Single Ambig)
&rst
ixpk= 37, nxpk= 10, iat= -1,1059, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
&end
#
# 23 ASN HD2- 24 ILE HN 4.50 (# 38:10 Unique 3.03, 3.95 A)
&rst
ixpk= 38, nxpk= 10, iat= -1, 373, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 368, 369,
&end
#
# 23 ASN HA 24 ILE HN 2.80 (# 39:10 Unique 2.18, 2.28 A)
&rst
ixpk= 39, nxpk= 10, iat= 361, 373, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 24 ILE HB 24 ILE HN 4.50 (# 40:10 Unique 2.91, 3.40 A)
&rst
ixpk= 40, nxpk= 10, iat= 377, 373, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:41 24 ILE HN 4.50 (# 41:10 Single Ambig)
&rst
ixpk= 41, nxpk= 10, iat= -1, 373, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 76, 77, 78, 379, 380, 381,
&end
#
# 3 HIS HA 4 TRP HN 2.80 (# 42:10 Unique 2.20, 2.29 A)
&rst
ixpk= 42, nxpk= 10, iat= 31, 46, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 4 TRP HB- 4 TRP HN 3.50 (# 43:10 Unique 2.20, 2.97 A)
&rst
ixpk= 43, nxpk= 10, iat= -1, 46, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 50, 51,
&end
#
# 3 HIS HB+ 4 TRP HN 4.50 (# 44:10 Unique 2.45, 3.23 A)
&rst
ixpk= 44, nxpk= 10, iat= -1, 46, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 33, 34,
&end
#
# 4 TRP HA 4 TRP HN 4.50 (# 45:10 Unique 2.88, 2.92 A)
&rst
ixpk= 45, nxpk= 10, iat= 48, 46, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 83 VAL HA 84 LYS HN 2.80 (# 46:10 Unique 2.14, 2.18 A)
&rst
ixpk= 46, nxpk= 10, iat=1282,1296, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 84 LYS HB+ 84 LYS HN 4.50 (# 47:10 Unique 2.25, 3.12 A)
&rst
ixpk= 47, nxpk= 10, iat= -1,1296, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1300,1301,
&end
#
# 0 AMB 10-2:48 84 LYS HN 3.50 (# 48:10 Single Ambig)
&rst
ixpk= 48, nxpk= 10, iat= -1,1296, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1300,1301,1306,1307,1306,1307,
&end
#
# 0 AMB 10-2:49 84 LYS HN 3.50 (# 49:10 Single Ambig)
&rst
ixpk= 49, nxpk= 10, iat= -1,1296, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1303,1304,1303,1304,
&end
#
# 23 ASN HA 23 ASN HN 4.50 (# 50:10 Unique 2.27, 2.66 A)
&rst
ixpk= 50, nxpk= 10, iat= 361, 359, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 22 ILE HA 23 ASN HN 3.50 (# 51:10 Unique 2.29, 2.75 A)
&rst
ixpk= 51, nxpk= 10, iat= 342, 359, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 23 ASN HB+ 23 ASN HN 3.50 (# 52:10 Unique 2.33, 2.95 A)
&rst
ixpk= 52, nxpk= 10, iat= -1, 359, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 363, 364,
&end
#
# 22 ILE HB 23 ASN HN 4.50 (# 53:10 Unique 3.05, 3.41 A)
&rst
ixpk= 53, nxpk= 10, iat= 344, 359, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 22 ILE QG2 23 ASN HN 4.50 (# 54:10 Unique 1.99, 3.64 A)
&rst
ixpk= 54, nxpk= 10, iat= -1, 359, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 346, 347, 348,
&end
#
# 23 ASN HB- 23 ASN HN 4.50 (# 55:10 Unique 2.33, 2.95 A)
&rst
ixpk= 55, nxpk= 10, iat= -1, 359, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 363, 364,
&end
#
# 36 ALA HA 36 ALA HN 3.50 (# 57:10 Unique 2.85, 2.88 A)
&rst
ixpk= 57, nxpk= 10, iat= 584, 582, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 37 VAL HN 36 ALA HN 2.80 (# 58:10 Unique 2.25, 2.48 A)
&rst
ixpk= 58, nxpk= 10, iat= 592, 582, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 36 ALA MB 36 ALA HN 2.80 (# 59:10 Unique 2.11, 2.92 A)
&rst
ixpk= 59, nxpk= 10, iat= -1, 582, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 586, 587, 588,
&end
#
# 46 VAL HA 5 ILE HN 4.50 (# 60:10 Unique 3.10, 3.44 A)
&rst
ixpk= 60, nxpk= 10, iat= 736, 70, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 4 TRP HA 5 ILE HN 2.80 (# 61:10 Unique 2.14, 2.17 A)
&rst
ixpk= 61, nxpk= 10, iat= 48, 70, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 5 ILE HB 5 ILE HN 3.50 (# 62:10 Unique 2.54, 2.74 A)
&rst
ixpk= 62, nxpk= 10, iat= 74, 70, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:63 5 ILE HN 4.50 (# 63:10 Single Ambig)
&rst
ixpk= 63, nxpk= 10, iat= -1, 70, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 80, 81, 80, 81,
&end
#
# 0 AMB 10-2:64 5 ILE HN 4.50 (# 64:10 Single Ambig)
&rst
ixpk= 64, nxpk= 10, iat= -1, 70, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 83, 84, 85, 716, 717,
&end
#
# 41 ASN HN 40 LYS HN 4.50 (# 65:10 Unique 2.65, 2.74 A)
&rst
ixpk= 65, nxpk= 10, iat= 656, 634, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 39 ASP HA 40 LYS HN 3.50 (# 66:10 Unique 2.16, 3.04 A)
&rst
ixpk= 66, nxpk= 10, iat= 624, 634, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 40 LYS HA 40 LYS HN 4.50 (# 67:10 Unique 2.27, 2.46 A)
&rst
ixpk= 67, nxpk= 10, iat= 636, 634, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 40 LYS HB+ 40 LYS HN 4.50 (# 68:10 Unique 2.17, 3.48 A)
&rst
ixpk= 68, nxpk= 10, iat= -1, 634, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 638, 639,
&end
#
# 40 LYS HB- 40 LYS HN 3.50 (# 69:10 Unique 2.17, 3.48 A)
&rst
ixpk= 69, nxpk= 10, iat= -1, 634, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 638, 639,
&end
#
# 0 AMB 10-2:70 40 LYS HN 3.50 (# 70:10 Single Ambig)
&rst
ixpk= 70, nxpk= 10, iat= -1, 634, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 641, 642, 644, 645,
&end
#
# 40 LYS HG- 40 LYS HN 4.50 (# 71:10 Unique 2.09, 3.32 A)
&rst
ixpk= 71, nxpk= 10, iat= -1, 634, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 641, 642,
&end
#
# 62 SER HN 63 GLU HN 3.50 (# 72:10 Unique 2.58, 2.73 A)
&rst
ixpk= 72, nxpk= 10, iat= 974, 985, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 64 MET HN 63 GLU HN 4.50 (# 73:10 Unique 2.58, 2.65 A)
&rst
ixpk= 73, nxpk= 10, iat=1000, 985, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:74 63 GLU HN 2.80 (# 74:10 Single Ambig)
&rst
ixpk= 74, nxpk= 10, iat= -1, 985, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 987, 923,
&end
#
# 0 AMB 10-2:75 63 GLU HN 2.80 (# 75:10 Single Ambig)
&rst
ixpk= 75, nxpk= 10, iat= -1, 985, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 989, 990, 989, 990,
&end
#
# 76 LYS HN 75 LEU HN 5.50 (# 76:10 Unique 1.90, 2.76 A)
&rst
ixpk= 76, nxpk= 10, iat=1164,1145, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 49 ASN HA 75 LEU HN 4.50 (# 77:10 Unique 2.06, 3.49 A)
&rst
ixpk= 77, nxpk= 10, iat= 784,1145, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 74 GLY HA+ 75 LEU HN 3.50 (# 78:10 Unique 2.17, 2.58 A)
&rst
ixpk= 78, nxpk= 10, iat= -1,1145, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1140,1141,
&end
#
# 75 LEU HA 75 LEU HN 4.50 (# 79:10 Unique 2.76, 2.87 A)
&rst
ixpk= 79, nxpk= 10, iat=1147,1145, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 74 GLY HA- 75 LEU HN 4.50 (# 80:10 Unique 2.17, 2.58 A)
&rst
ixpk= 80, nxpk= 10, iat= -1,1145, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1140,1141,
&end
#
# 75 LEU HB+ 75 LEU HN 3.50 (# 81:10 Unique 2.04, 2.83 A)
&rst
ixpk= 81, nxpk= 10, iat= -1,1145, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1149,1150,
&end
#
# 75 LEU HG 75 LEU HN 4.50 (# 82:10 Unique 2.11, 3.59 A)
&rst
ixpk= 82, nxpk= 10, iat=1152,1145, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 63 GLU HG+ 63 GLU HN 4.50 (# 83:10 Unique 1.95, 3.01 A)
&rst
ixpk= 83, nxpk= 10, iat= -1, 985, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 992, 993,
&end
#
# 7 VAL HA 26 LEU HN 5.50 (# 84:10 Unique 2.05, 2.89 A)
&rst
ixpk= 84, nxpk= 10, iat= 103, 406, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 26 LEU HA 26 LEU HN 3.50 (# 85:10 Unique 2.28, 2.60 A)
&rst
ixpk= 85, nxpk= 10, iat= 408, 406, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 25 PRO HA 26 LEU HN 2.80 (# 86:10 Unique 2.19, 2.48 A)
&rst
ixpk= 86, nxpk= 10, iat= 402, 406, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 7 VAL HB 26 LEU HN 4.50 (# 87:10 Unique 2.81, 3.45 A)
&rst
ixpk= 87, nxpk= 10, iat= 105, 406, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 26 LEU HB+ 26 LEU HN 3.50 (# 88:10 Unique 2.09, 2.92 A)
&rst
ixpk= 88, nxpk= 10, iat= -1, 406, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 410, 411,
&end
#
# 26 LEU HB- 26 LEU HN 3.50 (# 89:10 Unique 2.09, 2.92 A)
&rst
ixpk= 89, nxpk= 10, iat= -1, 406, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 410, 411,
&end
#
# 33 ILE HN 34 ALA HN 4.50 (# 90:10 Unique 2.71, 2.76 A)
&rst
ixpk= 90, nxpk= 10, iat= 539, 558, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 35 THR HN 34 ALA HN 3.50 (# 91:10 Unique 2.44, 2.63 A)
&rst
ixpk= 91, nxpk= 10, iat= 568, 558, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 34 ALA HA 34 ALA HN 3.50 (# 92:10 Unique 2.76, 2.81 A)
&rst
ixpk= 92, nxpk= 10, iat= 560, 558, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 34 ALA MB 34 ALA HN 2.80 (# 93:10 Unique 2.06, 2.88 A)
&rst
ixpk= 93, nxpk= 10, iat= -1, 558, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 562, 563, 564,
&end
#
# 33 ILE QG2 34 ALA HN 2.80 (# 94:10 Unique 1.98, 2.99 A)
&rst
ixpk= 94, nxpk= 10, iat= -1, 558, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 545, 546, 547,
&end
#
# 77 ASP HN 78 ILE HN 3.50 (# 95:10 Unique 1.90, 2.34 A)
&rst
ixpk= 95, nxpk= 10, iat=1186,1198, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 78 ILE HA 78 ILE HN 4.50 (# 96:10 Unique 2.76, 2.88 A)
&rst
ixpk= 96, nxpk= 10, iat=1200,1198, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 78 ILE HG1- 78 ILE HN 3.50 (# 97:10 Unique 1.95, 2.95 A)
&rst
ixpk= 97, nxpk= 10, iat= -1,1198, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1208,1209,
&end
#
# 78 ILE HB 78 ILE HN 2.80 (# 98:10 Unique 2.52, 2.61 A)
&rst
ixpk= 98, nxpk= 10, iat=1202,1198, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 78 ILE HG1+ 78 ILE HN 4.50 (# 99:10 Unique 1.95, 2.95 A)
&rst
ixpk= 99, nxpk= 10, iat= -1,1198, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1208,1209,
&end
#
# 78 ILE QG2 78 ILE HN 5.50 (# 100:10 Unique 4.39, 4.59 A)
&rst
ixpk= 100, nxpk= 10, iat= -1,1198, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1204,1205,1206,
&end
#
# 7 VAL HN 8 ARG HN 4.50 (# 101:10 Unique 2.56, 2.68 A)
&rst
ixpk= 101, nxpk= 10, iat= 101, 117, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 8 ARG HG- 8 ARG HN 4.50 (# 102:10 Unique 2.27, 3.57 A)
&rst
ixpk= 102, nxpk= 10, iat= -1, 117, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 124, 125,
&end
#
# 20 GLY HN 21 ALA HN 4.50 (# 103:10 Unique 1.90, 3.27 A)
&rst
ixpk= 103, nxpk= 10, iat= 323, 330, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 56 GLN HN 57 ALA HN 4.50 (# 104:10 Unique 2.24, 2.50 A)
&rst
ixpk= 104, nxpk= 10, iat= 872, 889, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 21 ALA HA 21 ALA HN 4.50 (# 105:10 Unique 2.28, 2.71 A)
&rst
ixpk= 105, nxpk= 10, iat= 332, 330, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 21 ALA MB 21 ALA HN 2.80 (# 106:10 Unique 2.07, 3.29 A)
&rst
ixpk= 106, nxpk= 10, iat= -1, 330, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 334, 335, 336,
&end
#
# 81 PRO HA 82 LYS HN 2.80 (# 108:10 Unique 2.15, 2.19 A)
&rst
ixpk= 108, nxpk= 10, iat=1254,1258, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 81 PRO HB+ 82 LYS HN 5.50 (# 109:10 Unique 3.04, 3.73 A)
&rst
ixpk= 109, nxpk= 10, iat= -1,1258, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1251,1252,
&end
#
# 0 AMB 10-2:110 82 LYS HN 2.80 (# 110:10 Single Ambig)
&rst
ixpk= 110, nxpk= 10, iat= -1,1258, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1262,1263,1268,1269,
&end
#
# 8 ARG HB- 8 ARG HN 4.50 (# 111:10 Unique 2.06, 2.79 A)
&rst
ixpk= 111, nxpk= 10, iat= -1, 117, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 121, 122,
&end
#
# 57 ALA HN 56 GLN HN 3.50 (# 112:10 Unique 2.24, 2.50 A)
&rst
ixpk= 112, nxpk= 10, iat= 889, 872, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 53 GLN HA 56 GLN HN 4.50 (# 113:10 Unique 3.10, 3.40 A)
&rst
ixpk= 113, nxpk= 10, iat= 839, 872, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 56 GLN HA 56 GLN HN 3.50 (# 114:10 Unique 2.78, 2.86 A)
&rst
ixpk= 114, nxpk= 10, iat= 874, 872, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 55 GLY HA+ 56 GLN HN 4.50 (# 115:10 Unique 2.65, 3.22 A)
&rst
ixpk= 115, nxpk= 10, iat= -1, 872, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 867, 868,
&end
#
# 0 AMB 10-2:116 56 GLN HN 4.50 (# 116:10 Single Ambig)
&rst
ixpk= 116, nxpk= 10, iat= -1, 872, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 867, 868, 856,
&end
#
# 56 GLN HG+ 56 GLN HN 4.50 (# 117:10 Unique 3.14, 4.23 A)
&rst
ixpk= 117, nxpk= 10, iat= -1, 872, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 879, 880,
&end
#
# 56 GLN HB+ 56 GLN HN 2.80 (# 118:10 Unique 2.10, 2.64 A)
&rst
ixpk= 118, nxpk= 10, iat= -1, 872, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 876, 877,
&end
#
# 56 GLN HB- 56 GLN HN 4.50 (# 119:10 Unique 2.10, 2.64 A)
&rst
ixpk= 119, nxpk= 10, iat= -1, 872, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 876, 877,
&end
#
# 21 ALA HA 22 ILE HN 2.80 (# 120:10 Unique 2.25, 2.52 A)
&rst
ixpk= 120, nxpk= 10, iat= 332, 340, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:121 22 ILE HN 3.50 (# 121:10 Single Ambig)
&rst
ixpk= 121, nxpk= 10, iat= -1, 340, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 334, 335, 336, 344,
&end
#
# 22 ILE HG1+ 22 ILE HN 4.50 (# 122:10 Unique 1.94, 3.02 A)
&rst
ixpk= 122, nxpk= 10, iat= -1, 340, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 350, 351,
&end
#
# 3 HIS HD2 3 HIS HN 4.50 (# 123:10 Unique 3.21, 3.89 A)
&rst
ixpk= 123, nxpk= 10, iat= 42, 29, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 2 GLU HA 3 HIS HN 2.80 (# 124:10 Unique 2.14, 2.17 A)
&rst
ixpk= 124, nxpk= 10, iat= 16, 29, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 44 VAL HA 3 HIS HN 4.50 (# 125:10 Unique 2.75, 3.21 A)
&rst
ixpk= 125, nxpk= 10, iat= 698, 29, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:126 3 HIS HN 4.50 (# 126:10 Single Ambig)
&rst
ixpk= 126, nxpk= 10, iat= -1, 29, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 33, 34, 674, 675,
&end
#
# 0 AMB 10-2:127 3 HIS HN 4.50 (# 127:10 Single Ambig)
&rst
ixpk= 127, nxpk= 10, iat= -1, 29, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 21, 22, 21, 22,
&end
#
# 0 AMB 10-2:128 3 HIS HN 4.50 (# 128:10 Single Ambig)
&rst
ixpk= 128, nxpk= 10, iat= -1, 29, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 18, 19, 18, 19,
&end
#
# 3 HIS HA 3 HIS HN 4.50 (# 129:10 Unique 2.92, 2.94 A)
&rst
ixpk= 129, nxpk= 10, iat= 31, 29, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 56 GLN HN 57 ALA HN 3.50 (# 130:10 Unique 2.24, 2.50 A)
&rst
ixpk= 130, nxpk= 10, iat= 872, 889, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:131 0 AMB 10-1:131 4.50 (# 131:10 Double Ambig)
&rst
ixpk= 131, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 541, 891,
igr2= 539, 889,
&end
#
# 0 AMB 10-2:132 57 ALA HN 4.50 (# 132:10 Single Ambig)
&rst
ixpk= 132, nxpk= 10, iat= -1, 889, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 856, 867, 868,
&end
#
# 56 GLN HB+ 57 ALA HN 4.50 (# 133:10 Unique 2.38, 3.18 A)
&rst
ixpk= 133, nxpk= 10, iat= -1, 889, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 876, 877,
&end
#
# 56 GLN HB- 57 ALA HN 4.50 (# 134:10 Unique 2.38, 3.18 A)
&rst
ixpk= 134, nxpk= 10, iat= -1, 889, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 876, 877,
&end
#
# 57 ALA MB 57 ALA HN 2.80 (# 135:10 Unique 2.13, 2.89 A)
&rst
ixpk= 135, nxpk= 10, iat= -1, 889, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 893, 894, 895,
&end
#
# 0 AMB 10-2:136 0 AMB 10-1:136 4.50 (# 136:10 Double Ambig)
&rst
ixpk= 136, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 415, 416, 417, 419, 420, 421, 468, 469, 470, 472,
473, 474,
igr2= 889, 539,
&end
#
# 41 ASN HN 42 ASP HN 3.50 (# 137:10 Unique 1.88, 2.12 A)
&rst
ixpk= 137, nxpk= 10, iat= 656, 670, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 41 ASN HA 42 ASP HN 4.50 (# 138:10 Unique 2.95, 3.39 A)
&rst
ixpk= 138, nxpk= 10, iat= 658, 670, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 42 ASP HA 42 ASP HN 3.50 (# 139:10 Unique 2.76, 2.85 A)
&rst
ixpk= 139, nxpk= 10, iat= 672, 670, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:140 42 ASP HN 2.80 (# 140:10 Single Ambig)
&rst
ixpk= 140, nxpk= 10, iat= -1, 670, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 626, 627, 674, 675,
&end
#
# 42 ASP HB- 42 ASP HN 3.50 (# 141:10 Unique 2.14, 3.08 A)
&rst
ixpk= 141, nxpk= 10, iat= -1, 670, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 674, 675,
&end
#
# 34 ALA HN 33 ILE HN 4.50 (# 142:10 Unique 2.71, 2.76 A)
&rst
ixpk= 142, nxpk= 10, iat= 558, 539, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 32 ARG HN 33 ILE HN 3.50 (# 143:10 Unique 2.05, 2.30 A)
&rst
ixpk= 143, nxpk= 10, iat= 515, 539, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:144 0 AMB 10-1:144 3.50 (# 144:10 Double Ambig)
&rst
ixpk= 144, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 541, 891,
igr2= 539, 889,
&end
#
# 0 AMB 10-2:145 33 ILE HN 2.80 (# 145:10 Single Ambig)
&rst
ixpk= 145, nxpk= 10, iat= -1, 539, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 519, 520, 543,
&end
#
# 32 ARG HB- 33 ILE HN 4.50 (# 146:10 Unique 2.11, 3.07 A)
&rst
ixpk= 146, nxpk= 10, iat= -1, 539, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 519, 520,
&end
#
# 0 AMB 10-2:147 0 AMB 10-1:147 2.80 (# 147:10 Double Ambig)
&rst
ixpk= 147, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 545, 546, 547, 415, 416, 417, 419, 420, 421,
igr2= 539, 889,
&end
#
# 0 AMB 10-2:148 33 ILE HN 4.50 (# 148:10 Single Ambig)
&rst
ixpk= 148, nxpk= 10, iat= -1, 539, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 379, 380, 381, 386, 387, 388,
&end
#
# 68 HIS HA 69 VAL HN 2.80 (# 149:10 Unique 2.15, 2.49 A)
&rst
ixpk= 149, nxpk= 10, iat=1061,1076, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 69 VAL HB 69 VAL HN 3.50 (# 150:10 Unique 2.50, 3.20 A)
&rst
ixpk= 150, nxpk= 10, iat=1080,1076, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:151 69 VAL HN 3.50 (# 151:10 Single Ambig)
&rst
ixpk= 151, nxpk= 10, iat= -1,1076, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
&end
#
# 17 HIS HA 18 VAL HN 3.50 (# 153:10 Unique 2.17, 2.45 A)
&rst
ixpk= 153, nxpk= 10, iat= 275, 290, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 17 HIS HB+ 18 VAL HN 4.50 (# 154:10 Unique 1.95, 3.10 A)
&rst
ixpk= 154, nxpk= 10, iat= -1, 290, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 277, 278,
&end
#
# 0 AMB 10-2:155 18 VAL HN 4.50 (# 155:10 Single Ambig)
&rst
ixpk= 155, nxpk= 10, iat= -1, 290, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 334, 335, 336, 265, 266,
&end
#
# 18 VAL HB 18 VAL HN 3.50 (# 156:10 Unique 2.50, 2.54 A)
&rst
ixpk= 156, nxpk= 10, iat= 294, 290, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 18 VAL MGY 18 VAL HN 3.50 (# 157:10 Unique 1.95, 3.81 A)
&rst
ixpk= 157, nxpk= 10, iat= -1, 290, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 296, 297, 298, 300, 301, 302,
&end
#
# 0 AMB 10-2:158 29 VAL HN 2.80 (# 158:10 Single Ambig)
&rst
ixpk= 158, nxpk= 10, iat= -1, 462, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 447, 478,
&end
#
# 28 GLU HA 29 VAL HN 5.50 (# 159:10 Unique 3.41, 3.49 A)
&rst
ixpk= 159, nxpk= 10, iat= 449, 462, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 29 VAL HA 29 VAL HN 3.50 (# 160:10 Unique 2.69, 2.77 A)
&rst
ixpk= 160, nxpk= 10, iat= 464, 462, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 29 VAL HB 29 VAL HN 2.80 (# 161:10 Unique 2.11, 2.31 A)
&rst
ixpk= 161, nxpk= 10, iat= 466, 462, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:162 29 VAL HN 5.50 (# 162:10 Single Ambig)
&rst
ixpk= 162, nxpk= 10, iat= -1, 462, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 451, 452, 519, 520, 522, 523, 482, 483,
&end
#
# 29 VAL MGY 29 VAL HN 3.50 (# 163:10 Unique 2.00, 3.93 A)
&rst
ixpk= 163, nxpk= 10, iat= -1, 462, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 468, 469, 470, 472, 473, 474,
&end
#
# 29 VAL MGX 29 VAL HN 4.50 (# 164:10 Unique 2.00, 3.93 A)
&rst
ixpk= 164, nxpk= 10, iat= -1, 462, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 468, 469, 470, 472, 473, 474,
&end
#
# 24 ILE QG2 29 VAL HN 4.50 (# 165:10 Unique 2.33, 3.81 A)
&rst
ixpk= 165, nxpk= 10, iat= -1, 462, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 379, 380, 381,
&end
#
# 70 GLU HA 71 ASN HN 2.80 (# 167:10 Unique 2.16, 2.33 A)
&rst
ixpk= 167, nxpk= 10, iat=1094,1107, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 71 ASN HB+ 71 ASN HN 3.50 (# 168:10 Unique 2.21, 2.85 A)
&rst
ixpk= 168, nxpk= 10, iat= -1,1107, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1111,1112,
&end
#
# 71 ASN HB- 71 ASN HN 4.50 (# 169:10 Unique 2.21, 2.85 A)
&rst
ixpk= 169, nxpk= 10, iat= -1,1107, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1111,1112,
&end
#
# 14 GLN HN 13 TYR HN 4.50 (# 170:10 Unique 2.43, 2.76 A)
&rst
ixpk= 170, nxpk= 10, iat= 224, 203, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 13 TYR HA 13 TYR HN 4.50 (# 171:10 Unique 2.75, 2.78 A)
&rst
ixpk= 171, nxpk= 10, iat= 205, 203, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 13 TYR HB+ 13 TYR HN 3.50 (# 172:10 Unique 2.23, 2.54 A)
&rst
ixpk= 172, nxpk= 10, iat= -1, 203, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 207, 208,
&end
#
# 13 TYR HB- 13 TYR HN 4.50 (# 173:10 Unique 2.23, 2.54 A)
&rst
ixpk= 173, nxpk= 10, iat= -1, 203, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 207, 208,
&end
#
# 0 AMB 10-2:174 13 TYR HN 4.50 (# 174:10 Single Ambig)
&rst
ixpk= 174, nxpk= 10, iat= -1, 203, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 190, 191, 190, 191,
&end
#
# 65 GLY HN 66 TYR HN 3.50 (# 175:10 Unique 1.90, 2.08 A)
&rst
ixpk= 175, nxpk= 10, iat=1017,1024, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 66 TYR HD 66 TYR HN 3.50 (# 176:10 Unique 1.94, 3.54 A)
&rst
ixpk= 176, nxpk= 10, iat= -1,1024, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1032,1041,
&end
#
# 0 AMB 10-2:177 66 TYR HN 3.50 (# 177:10 Single Ambig)
&rst
ixpk= 177, nxpk= 10, iat= -1,1024, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 976,1026,
&end
#
# 66 TYR HB+ 66 TYR HN 4.50 (# 178:10 Unique 2.23, 3.00 A)
&rst
ixpk= 178, nxpk= 10, iat= -1,1024, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1028,1029,
&end
#
# 66 TYR HB- 66 TYR HN 3.50 (# 179:10 Unique 2.23, 3.00 A)
&rst
ixpk= 179, nxpk= 10, iat= -1,1024, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1028,1029,
&end
#
# 12 GLN HN 13 TYR HN 3.50 (# 180:10 Unique 2.19, 2.35 A)
&rst
ixpk= 180, nxpk= 10, iat= 186, 203, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 61 LEU HN 60 ILE HN 4.50 (# 182:10 Unique 2.42, 2.83 A)
&rst
ixpk= 182, nxpk= 10, iat= 955, 936, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:183 60 ILE HN 2.80 (# 183:10 Single Ambig)
&rst
ixpk= 183, nxpk= 10, iat= -1, 936, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 946, 947, 940,
&end
#
# 60 ILE HG1+ 60 ILE HN 4.50 (# 184:10 Unique 1.95, 2.78 A)
&rst
ixpk= 184, nxpk= 10, iat= -1, 936, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 946, 947,
&end
#
# 0 AMB 10-2:185 60 ILE HN 4.50 (# 185:10 Single Ambig)
&rst
ixpk= 185, nxpk= 10, iat= -1, 936, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 949, 950, 951, 942, 943, 944,
&end
#
# 59 GLU HN 60 ILE HN 4.50 (# 186:10 Unique 2.25, 2.41 A)
&rst
ixpk= 186, nxpk= 10, iat= 921, 936, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 57 ALA HA 60 ILE HN 4.50 (# 187:10 Unique 2.99, 3.24 A)
&rst
ixpk= 187, nxpk= 10, iat= 891, 936, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 60 ILE HA 60 ILE HN 4.50 (# 188:10 Unique 2.76, 2.79 A)
&rst
ixpk= 188, nxpk= 10, iat= 938, 936, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:189 60 ILE HN 3.50 (# 189:10 Single Ambig)
&rst
ixpk= 189, nxpk= 10, iat= -1, 936, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 925, 926, 925, 926,
&end
#
# 82 LYS HE+ 80 MET HN 5.50 (# 190:10 Unique 3.06, 4.17 A)
&rst
ixpk= 190, nxpk= 10, iat= -1,1227, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1271,1272,
&end
#
# 80 MET HA 80 MET HN 4.50 (# 191:10 Unique 2.86, 2.93 A)
&rst
ixpk= 191, nxpk= 10, iat=1229,1227, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 79 ALA HA 80 MET HN 2.80 (# 192:10 Unique 2.27, 2.61 A)
&rst
ixpk= 192, nxpk= 10, iat=1219,1227, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 80 MET HG+ 80 MET HN 5.50 (# 193:10 Unique 3.68, 4.07 A)
&rst
ixpk= 193, nxpk= 10, iat= -1,1227, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1234,1235,
&end
#
# 80 MET HB+ 80 MET HN 5.50 (# 194:10 Unique 2.37, 3.14 A)
&rst
ixpk= 194, nxpk= 10, iat= -1,1227, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1231,1232,
&end
#
# 79 ALA MB 80 MET HN 5.50 (# 195:10 Unique 4.10, 4.46 A)
&rst
ixpk= 195, nxpk= 10, iat= -1,1227, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1221,1222,1223,
&end
#
# 80 MET HB- 80 MET HN 4.50 (# 196:10 Unique 2.37, 3.14 A)
&rst
ixpk= 196, nxpk= 10, iat= -1,1227, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1231,1232,
&end
#
# 78 ILE QG2 80 MET HN 3.50 (# 197:10 Unique 1.95, 3.78 A)
&rst
ixpk= 197, nxpk= 10, iat= -1,1227, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1204,1205,1206,
&end
#
# 0 AMB 10-2:198 59 GLU HN 3.50 (# 198:10 Single Ambig)
&rst
ixpk= 198, nxpk= 10, iat= -1, 921, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 899, 955,
&end
#
# 60 ILE HN 59 GLU HN 4.50 (# 199:10 Unique 2.25, 2.41 A)
&rst
ixpk= 199, nxpk= 10, iat= 936, 921, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 59 GLU HA 59 GLU HN 3.50 (# 200:10 Unique 2.81, 2.89 A)
&rst
ixpk= 200, nxpk= 10, iat= 923, 921, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 59 GLU HG+ 59 GLU HN 4.50 (# 201:10 Unique 2.48, 3.54 A)
&rst
ixpk= 201, nxpk= 10, iat= -1, 921, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 928, 929,
&end
#
# 59 GLU HG- 59 GLU HN 4.50 (# 202:10 Unique 2.48, 3.54 A)
&rst
ixpk= 202, nxpk= 10, iat= -1, 921, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 928, 929,
&end
#
# 0 AMB 10-2:203 59 GLU HN 2.80 (# 203:10 Single Ambig)
&rst
ixpk= 203, nxpk= 10, iat= -1, 921, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 903, 904, 925, 926, 925, 926,
&end
#
# 58 LYS HB- 59 GLU HN 4.50 (# 204:10 Unique 1.95, 3.38 A)
&rst
ixpk= 204, nxpk= 10, iat= -1, 921, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 903, 904,
&end
#
# 0 AMB 10-2:206 2 GLU HN 3.50 (# 206:10 Single Ambig)
&rst
ixpk= 206, nxpk= 10, iat= -1, 14, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 6, 686,
&end
#
# 0 AMB 10-2:207 2 GLU HN 4.50 (# 207:10 Single Ambig)
&rst
ixpk= 207, nxpk= 10, iat= -1, 14, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 18, 19, 18, 19,
&end
#
# 1 ALA MB 2 GLU HN 4.50 (# 208:10 Unique 2.89, 4.36 A)
&rst
ixpk= 208, nxpk= 10, iat= -1, 14, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 8, 9, 10,
&end
#
# 17 HIS HN 83 VAL HN 4.50 (# 209:10 Unique 1.89, 2.65 A)
&rst
ixpk= 209, nxpk= 10, iat= 273,1280, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 82 LYS HB+ 83 VAL HN 4.50 (# 211:10 Unique 2.22, 3.07 A)
&rst
ixpk= 211, nxpk= 10, iat= -1,1280, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1262,1263,
&end
#
# 0 AMB 10-2:212 83 VAL HN 3.50 (# 212:10 Single Ambig)
&rst
ixpk= 212, nxpk= 10, iat= -1,1280, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1=1262,1263,1284,1265,1266,
&end
#
# 83 VAL MGX 83 VAL HN 3.50 (# 213:10 Unique 1.95, 4.05 A)
&rst
ixpk= 213, nxpk= 10, iat= -1,1280, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1286,1287,1288,1290,1291,1292,
&end
#
# 83 VAL HA 83 VAL HN 4.50 (# 214:10 Unique 2.92, 2.94 A)
&rst
ixpk= 214, nxpk= 10, iat=1282,1280, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 62 SER HN 61 LEU HN 4.50 (# 215:10 Unique 2.21, 2.58 A)
&rst
ixpk= 215, nxpk= 10, iat= 974, 955, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 60 ILE HN 61 LEU HN 4.50 (# 216:10 Unique 2.42, 2.83 A)
&rst
ixpk= 216, nxpk= 10, iat= 936, 955, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:217 61 LEU HN 4.50 (# 217:10 Single Ambig)
&rst
ixpk= 217, nxpk= 10, iat= -1, 955, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 957, 923, 978, 979,
&end
#
# 0 AMB 10-2:218 61 LEU HN 2.80 (# 218:10 Single Ambig)
&rst
ixpk= 218, nxpk= 10, iat= -1, 955, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 940, 959, 960,
&end
#
# 61 LEU HG 61 LEU HN 3.50 (# 219:10 Unique 2.02, 2.36 A)
&rst
ixpk= 219, nxpk= 10, iat= 962, 955, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 61 LEU HB- 61 LEU HN 4.50 (# 220:10 Unique 2.31, 3.03 A)
&rst
ixpk= 220, nxpk= 10, iat= -1, 955, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 959, 960,
&end
#
# 0 AMB 10-2:221 61 LEU HN 4.50 (# 221:10 Single Ambig)
&rst
ixpk= 221, nxpk= 10, iat= -1, 955, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 942, 943, 944,1082,1083,1084,1086,1087,1088,1082,
1083,1084,1086,1087,1088, 949, 950, 951,
&end
#
# 61 LEU MDY 61 LEU HN 4.50 (# 222:10 Unique 3.14, 4.34 A)
&rst
ixpk= 222, nxpk= 10, iat= -1, 955, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 964, 965, 966, 968, 969, 970,
&end
#
# 46 VAL HA 47 TYR HN 2.80 (# 223:10 Unique 2.14, 2.15 A)
&rst
ixpk= 223, nxpk= 10, iat= 736, 750, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:224 47 TYR HN 4.50 (# 224:10 Single Ambig)
&rst
ixpk= 224, nxpk= 10, iat= -1, 750, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 91, 858, 859,
&end
#
# 0 AMB 10-2:225 47 TYR HN 3.50 (# 225:10 Single Ambig)
&rst
ixpk= 225, nxpk= 10, iat= -1, 750, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 738, 74,
&end
#
# 0 AMB 10-2:226 47 TYR HN 4.50 (# 226:10 Single Ambig)
&rst
ixpk= 226, nxpk= 10, iat= -1, 750, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 107, 108, 109, 111, 112, 113, 740, 741, 742, 744,
745, 746,
&end
#
# 13 TYR HN 14 GLN HN 4.50 (# 227:10 Unique 2.43, 2.76 A)
&rst
ixpk= 227, nxpk= 10, iat= 203, 224, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 15 GLN HN 14 GLN HN 4.50 (# 228:10 Unique 2.42, 2.82 A)
&rst
ixpk= 228, nxpk= 10, iat= 241, 224, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 14 GLN HA 14 GLN HN 4.50 (# 229:10 Unique 2.76, 2.87 A)
&rst
ixpk= 229, nxpk= 10, iat= 226, 224, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 13 TYR HB+ 14 GLN HN 4.50 (# 230:10 Unique 2.18, 3.41 A)
&rst
ixpk= 230, nxpk= 10, iat= -1, 224, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 207, 208,
&end
#
# 0 AMB 10-2:231 14 GLN HN 4.50 (# 231:10 Single Ambig)
&rst
ixpk= 231, nxpk= 10, iat= -1, 224, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 231, 232, 231, 232,
&end
#
# 0 AMB 10-2:232 14 GLN HN 2.80 (# 232:10 Single Ambig)
&rst
ixpk= 232, nxpk= 10, iat= -1, 224, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 228, 229, 228, 229,
&end
#
# 39 ASP HA 39 ASP HN 5.50 (# 233:10 Unique 2.75, 2.81 A)
&rst
ixpk= 233, nxpk= 10, iat= 624, 622, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 38 PRO HD+ 39 ASP HN 4.50 (# 234:10 Unique 2.65, 3.31 A)
&rst
ixpk= 234, nxpk= 10, iat= -1, 622, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 609, 610,
&end
#
# 39 ASP HB+ 39 ASP HN 3.50 (# 235:10 Unique 2.07, 2.81 A)
&rst
ixpk= 235, nxpk= 10, iat= -1, 622, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 626, 627,
&end
#
# 39 ASP HB- 39 ASP HN 3.50 (# 236:10 Unique 2.07, 2.81 A)
&rst
ixpk= 236, nxpk= 10, iat= -1, 622, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 626, 627,
&end
#
# 0 AMB 10-2:237 39 ASP HN 3.50 (# 237:10 Single Ambig)
&rst
ixpk= 237, nxpk= 10, iat= -1, 622, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 612, 613, 612, 613,
&end
#
# 39 ASP HA 39 ASP HN 4.50 (# 239:10 Unique 2.75, 2.81 A)
&rst
ixpk= 239, nxpk= 10, iat= 624, 622, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 31 GLU HN 30 LYS HN 4.50 (# 244:10 Unique 2.24, 2.65 A)
&rst
ixpk= 244, nxpk= 10, iat= 500, 478, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 29 VAL HN 30 LYS HN 4.50 (# 245:10 Unique 2.59, 2.74 A)
&rst
ixpk= 245, nxpk= 10, iat= 462, 478, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 30 LYS HA 30 LYS HN 4.50 (# 246:10 Unique 2.71, 2.82 A)
&rst
ixpk= 246, nxpk= 10, iat= 480, 478, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:247 30 LYS HN 3.50 (# 247:10 Single Ambig)
&rst
ixpk= 247, nxpk= 10, iat= -1, 478, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 466, 504, 505,
&end
#
# 30 LYS HB- 30 LYS HN 2.80 (# 248:10 Unique 2.08, 2.63 A)
&rst
ixpk= 248, nxpk= 10, iat= -1, 478, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 482, 483,
&end
#
# 0 AMB 10-2:249 30 LYS HN 4.50 (# 249:10 Single Ambig)
&rst
ixpk= 249, nxpk= 10, iat= -1, 478, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 485, 486, 519, 520,
&end
#
# 29 VAL MGY 30 LYS HN 4.50 (# 250:10 Unique 2.14, 4.28 A)
&rst
ixpk= 250, nxpk= 10, iat= -1, 478, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 468, 469, 470, 472, 473, 474,
&end
#
# 29 VAL MGX 30 LYS HN 4.50 (# 251:10 Unique 2.14, 4.28 A)
&rst
ixpk= 251, nxpk= 10, iat= -1, 478, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 468, 469, 470, 472, 473, 474,
&end
#
# 30 LYS HB- 30 LYS HN 4.50 (# 252:10 Unique 2.08, 2.63 A)
&rst
ixpk= 252, nxpk= 10, iat= -1, 478, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 482, 483,
&end
#
# 59 GLU HN 58 LYS HN 4.50 (# 253:10 Unique 2.53, 2.69 A)
&rst
ixpk= 253, nxpk= 10, iat= 921, 899, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:254 58 LYS HN 3.50 (# 254:10 Single Ambig)
&rst
ixpk= 254, nxpk= 10, iat= -1, 899, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 901, 891,
&end
#
# 58 LYS HB+ 58 LYS HN 3.50 (# 255:10 Unique 2.07, 2.54 A)
&rst
ixpk= 255, nxpk= 10, iat= -1, 899, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 903, 904,
&end
#
# 58 LYS HB- 58 LYS HN 2.80 (# 256:10 Unique 2.07, 2.54 A)
&rst
ixpk= 256, nxpk= 10, iat= -1, 899, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 903, 904,
&end
#
# 0 AMB 10-2:257 58 LYS HN 4.50 (# 257:10 Single Ambig)
&rst
ixpk= 257, nxpk= 10, iat= -1, 899, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 740, 741, 742, 744, 745, 746, 415, 416, 417, 419,
420, 421,1082,1083,1084,1086,1087,1088,1082,1083,
1084,1086,1087,1088,
&end
#
# 47 TYR HA 48 CYS HN 2.80 (# 258:10 Unique 2.15, 2.26 A)
&rst
ixpk= 258, nxpk= 10, iat= 752, 771, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 47 TYR HB+ 48 CYS HN 3.50 (# 260:10 Unique 2.30, 3.49 A)
&rst
ixpk= 260, nxpk= 10, iat= -1, 771, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 754, 755,
&end
#
# 47 TYR HB- 48 CYS HN 4.50 (# 261:10 Unique 2.30, 3.49 A)
&rst
ixpk= 261, nxpk= 10, iat= -1, 771, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 754, 755,
&end
#
# 8 ARG HN 7 VAL HN 4.50 (# 262:10 Unique 2.56, 2.68 A)
&rst
ixpk= 262, nxpk= 10, iat= 117, 101, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 6 ASP HA 7 VAL HN 2.80 (# 263:10 Unique 2.21, 2.34 A)
&rst
ixpk= 263, nxpk= 10, iat= 91, 101, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 7 VAL MGX 7 VAL HN 2.80 (# 264:10 Unique 1.96, 3.03 A)
&rst
ixpk= 264, nxpk= 10, iat= -1, 101, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 107, 108, 109, 111, 112, 113,
&end
#
# 7 VAL MGY 7 VAL HN 3.50 (# 265:10 Unique 1.96, 3.03 A)
&rst
ixpk= 265, nxpk= 10, iat= -1, 101, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 107, 108, 109, 111, 112, 113,
&end
#
# 12 GLN HA 12 GLN HN 4.50 (# 266:10 Unique 2.83, 2.89 A)
&rst
ixpk= 266, nxpk= 10, iat= 188, 186, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 11 GLU HN 12 GLN HN 4.50 (# 267:10 Unique 2.30, 2.62 A)
&rst
ixpk= 267, nxpk= 10, iat= 171, 186, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 13 TYR HN 12 GLN HN 3.50 (# 268:10 Unique 2.19, 2.35 A)
&rst
ixpk= 268, nxpk= 10, iat= 203, 186, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 12 GLN HG- 12 GLN HN 4.50 (# 269:10 Unique 2.31, 3.30 A)
&rst
ixpk= 269, nxpk= 10, iat= -1, 186, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 193, 194,
&end
#
# 0 AMB 10-2:270 12 GLN HN 2.80 (# 270:10 Single Ambig)
&rst
ixpk= 270, nxpk= 10, iat= -1, 186, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 190, 191, 190, 191,
&end
#
# 9 VAL MGX 12 GLN HN 3.50 (# 271:10 Unique 1.94, 4.27 A)
&rst
ixpk= 271, nxpk= 10, iat= -1, 186, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 147, 148, 149, 151, 152, 153,
&end
#
# 61 LEU HN 62 SER HN 4.50 (# 272:10 Unique 2.21, 2.58 A)
&rst
ixpk= 272, nxpk= 10, iat= 955, 974, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 63 GLU HN 62 SER HN 3.50 (# 273:10 Unique 2.58, 2.73 A)
&rst
ixpk= 273, nxpk= 10, iat= 985, 974, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 62 SER HA 62 SER HN 4.50 (# 274:10 Unique 2.79, 2.82 A)
&rst
ixpk= 274, nxpk= 10, iat= 976, 974, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:275 62 SER HN 2.80 (# 275:10 Single Ambig)
&rst
ixpk= 275, nxpk= 10, iat= -1, 974, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 978, 979, 978, 979,
&end
#
# 61 LEU HB+ 62 SER HN 4.50 (# 276:10 Unique 2.43, 3.32 A)
&rst
ixpk= 276, nxpk= 10, iat= -1, 974, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 959, 960,
&end
#
# 61 LEU HB- 62 SER HN 5.50 (# 277:10 Unique 2.43, 3.32 A)
&rst
ixpk= 277, nxpk= 10, iat= -1, 974, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 959, 960,
&end
#
# 0 AMB 10-2:278 62 SER HN 4.50 (# 278:10 Single Ambig)
&rst
ixpk= 278, nxpk= 10, iat= -1, 974, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
&end
#
# 84 LYS HA 85 GLY HN 2.80 (# 279:10 Unique 2.15, 2.34 A)
&rst
ixpk= 279, nxpk= 10, iat=1298,1318, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 85 GLY HA+ 85 GLY HN 4.50 (# 280:10 Unique 2.30, 2.70 A)
&rst
ixpk= 280, nxpk= 10, iat= -1,1318, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1320,1321,
&end
#
# 85 GLY HA- 85 GLY HN 3.50 (# 281:10 Unique 2.30, 2.70 A)
&rst
ixpk= 281, nxpk= 10, iat= -1,1318, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1320,1321,
&end
#
# 84 LYS HB+ 85 GLY HN 4.50 (# 282:10 Unique 1.95, 3.20 A)
&rst
ixpk= 282, nxpk= 10, iat= -1,1318, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1300,1301,
&end
#
# 27 LYS HN 28 GLU HN 4.50 (# 283:10 Unique 2.11, 2.70 A)
&rst
ixpk= 283, nxpk= 10, iat= 425, 447, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 14 GLN HN 15 GLN HN 4.50 (# 284:10 Unique 2.42, 2.82 A)
&rst
ixpk= 284, nxpk= 10, iat= 224, 241, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 16 GLU HN 15 GLN HN 3.50 (# 285:10 Unique 1.90, 2.83 A)
&rst
ixpk= 285, nxpk= 10, iat= 258, 241, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 15 GLN HA 15 GLN HN 3.50 (# 286:10 Unique 2.76, 2.85 A)
&rst
ixpk= 286, nxpk= 10, iat= 243, 241, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 15 GLN HG+ 15 GLN HN 4.50 (# 287:10 Unique 2.38, 3.75 A)
&rst
ixpk= 287, nxpk= 10, iat= -1, 241, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 248, 249,
&end
#
# 0 AMB 10-2:288 15 GLN HN 3.50 (# 288:10 Single Ambig)
&rst
ixpk= 288, nxpk= 10, iat= -1, 241, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 228, 229, 228, 229,
&end
#
# 29 VAL HN 28 GLU HN 2.80 (# 289:10 Unique 1.84, 2.14 A)
&rst
ixpk= 289, nxpk= 10, iat= 462, 447, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 28 GLU HA 28 GLU HN 4.50 (# 290:10 Unique 2.82, 2.90 A)
&rst
ixpk= 290, nxpk= 10, iat= 449, 447, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:291 28 GLU HN 4.50 (# 291:10 Single Ambig)
&rst
ixpk= 291, nxpk= 10, iat= -1, 447, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 451, 452, 399, 400,
&end
#
# 0 AMB 10-2:292 28 GLU HN 4.50 (# 292:10 Single Ambig)
&rst
ixpk= 292, nxpk= 10, iat= -1, 447, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 396, 397, 454, 455,
&end
#
# 0 AMB 10-2:293 28 GLU HN 3.50 (# 293:10 Single Ambig)
&rst
ixpk= 293, nxpk= 10, iat= -1, 447, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 451, 452, 429, 430,
&end
#
# 2 GLU HA 43 THR HN 4.50 (# 294:10 Unique 2.25, 2.84 A)
&rst
ixpk= 294, nxpk= 10, iat= 16, 682, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 42 ASP HA 43 THR HN 2.80 (# 295:10 Unique 2.15, 2.36 A)
&rst
ixpk= 295, nxpk= 10, iat= 672, 682, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:296 43 THR HN 2.80 (# 296:10 Single Ambig)
&rst
ixpk= 296, nxpk= 10, iat= -1, 682, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 686, 6,
&end
#
# 42 ASP HB+ 43 THR HN 4.50 (# 297:10 Unique 1.95, 3.23 A)
&rst
ixpk= 297, nxpk= 10, iat= -1, 682, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 674, 675,
&end
#
# 42 ASP HB- 43 THR HN 3.50 (# 298:10 Unique 1.95, 3.23 A)
&rst
ixpk= 298, nxpk= 10, iat= -1, 682, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 674, 675,
&end
#
# 76 LYS HN 77 ASP HN 4.50 (# 299:10 Unique 1.90, 2.69 A)
&rst
ixpk= 299, nxpk= 10, iat=1164,1186, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 78 ILE HN 77 ASP HN 3.50 (# 300:10 Unique 1.90, 2.34 A)
&rst
ixpk= 300, nxpk= 10, iat=1198,1186, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:302 0 AMB 10-1:302 4.50 (# 302:10 Double Ambig)
&rst
ixpk= 302, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1190,1191,1007,1008,
igr2=1186,1000,
&end
#
# 0 AMB 10-2:303 0 AMB 10-1:303 3.50 (# 303:10 Double Ambig)
&rst
ixpk= 303, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1190,1191,1007,1008,
igr2=1186,1000,
&end
#
# 0 AMB 10-2:304 77 ASP HN 4.50 (# 304:10 Single Ambig)
&rst
ixpk= 304, nxpk= 10, iat= -1,1186, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1168,1169,1208,1209,
&end
#
# 0 AMB 10-2:305 77 ASP HN 4.50 (# 305:10 Single Ambig)
&rst
ixpk= 305, nxpk= 10, iat= -1,1186, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1171,1172,1171,1172,
&end
#
# 40 LYS HN 41 ASN HN 3.50 (# 306:10 Unique 2.65, 2.74 A)
&rst
ixpk= 306, nxpk= 10, iat= 634, 656, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 42 ASP HN 41 ASN HN 2.80 (# 307:10 Unique 1.88, 2.12 A)
&rst
ixpk= 307, nxpk= 10, iat= 670, 656, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 41 ASN HA 41 ASN HN 3.50 (# 308:10 Unique 2.79, 2.91 A)
&rst
ixpk= 308, nxpk= 10, iat= 658, 656, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:309 41 ASN HN 3.50 (# 309:10 Single Ambig)
&rst
ixpk= 309, nxpk= 10, iat= -1, 656, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 660, 661, 626, 627,
&end
#
# 41 ASN HB- 41 ASN HN 2.80 (# 310:10 Unique 2.18, 2.98 A)
&rst
ixpk= 310, nxpk= 10, iat= -1, 656, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 660, 661,
&end
#
# 0 AMB 10-2:311 46 VAL HN 2.80 (# 311:10 Single Ambig)
&rst
ixpk= 311, nxpk= 10, iat= -1, 734, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 714,1109,
&end
#
# 46 VAL MGX 46 VAL HN 2.80 (# 312:10 Unique 1.95, 3.32 A)
&rst
ixpk= 312, nxpk= 10, iat= -1, 734, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 740, 741, 742, 744, 745, 746,
&end
#
# 46 VAL HA 46 VAL HN 4.50 (# 313:10 Unique 2.90, 2.93 A)
&rst
ixpk= 313, nxpk= 10, iat= 736, 734, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:314 64 MET HN 4.50 (# 314:10 Single Ambig)
&rst
ixpk= 314, nxpk= 10, iat= -1,1000, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 957, 987,
&end
#
# 0 AMB 10-2:315 0 AMB 10-1:315 3.50 (# 315:10 Double Ambig)
&rst
ixpk= 315, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1190,1191,1007,1008,
igr2=1186,1000,
&end
#
# 0 AMB 10-2:316 64 MET HN 3.50 (# 316:10 Single Ambig)
&rst
ixpk= 316, nxpk= 10, iat= -1,1000, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1004,1005,1007,1008,
&end
#
# 64 MET HB- 64 MET HN 3.50 (# 317:10 Unique 2.08, 2.83 A)
&rst
ixpk= 317, nxpk= 10, iat= -1,1000, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1004,1005,
&end
#
# 0 AMB 10-2:318 64 MET HN 3.50 (# 318:10 Single Ambig)
&rst
ixpk= 318, nxpk= 10, iat= -1,1000, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 989, 990, 989, 990,
&end
#
# 0 AMB 10-2:319 0 AMB 10-1:319 4.50 (# 319:10 Double Ambig)
&rst
ixpk= 319, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1002,1140,1141,
igr2=1000,1186,
&end
#
# 15 GLN HN 16 GLU HN 3.50 (# 320:10 Unique 1.90, 2.83 A)
&rst
ixpk= 320, nxpk= 10, iat= 241, 258, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 16 GLU HA 16 GLU HN 4.50 (# 321:10 Unique 2.27, 2.64 A)
&rst
ixpk= 321, nxpk= 10, iat= 260, 258, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:322 16 GLU HN 3.50 (# 322:10 Single Ambig)
&rst
ixpk= 322, nxpk= 10, iat= -1, 258, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 245, 246, 245, 246, 262, 263,
&end
#
# 16 GLU HB- 16 GLU HN 4.50 (# 323:10 Unique 2.78, 3.40 A)
&rst
ixpk= 323, nxpk= 10, iat= -1, 258, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 262, 263,
&end
#
# 77 ASP HN 76 LYS HN 4.50 (# 324:10 Unique 1.90, 2.69 A)
&rst
ixpk= 324, nxpk= 10, iat=1186,1164, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 76 LYS HA 76 LYS HN 4.50 (# 326:10 Unique 2.76, 2.86 A)
&rst
ixpk= 326, nxpk= 10, iat=1166,1164, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 75 LEU HB+ 76 LYS HN 4.50 (# 327:10 Unique 2.25, 3.65 A)
&rst
ixpk= 327, nxpk= 10, iat= -1,1164, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1149,1150,
&end
#
# 0 AMB 10-2:328 76 LYS HN 2.80 (# 328:10 Single Ambig)
&rst
ixpk= 328, nxpk= 10, iat= -1,1164, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1168,1169,1168,1169,
&end
#
# 75 LEU HB- 76 LYS HN 5.50 (# 329:10 Unique 2.25, 3.65 A)
&rst
ixpk= 329, nxpk= 10, iat= -1,1164, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1149,1150,
&end
#
# 0 AMB 10-2:330 76 LYS HN 3.50 (# 330:10 Single Ambig)
&rst
ixpk= 330, nxpk= 10, iat= -1,1164, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1171,1172,1171,1172,
&end
#
# 83 VAL HN 17 HIS HN 4.50 (# 331:10 Unique 1.89, 2.65 A)
&rst
ixpk= 331, nxpk= 10, iat=1280, 273, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 17 HIS HA 17 HIS HN 4.50 (# 332:10 Unique 2.81, 2.90 A)
&rst
ixpk= 332, nxpk= 10, iat= 275, 273, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 16 GLU HA 17 HIS HN 2.80 (# 333:10 Unique 2.14, 2.25 A)
&rst
ixpk= 333, nxpk= 10, iat= 260, 273, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 16 GLU HG+ 17 HIS HN 4.50 (# 334:10 Unique 2.01, 3.59 A)
&rst
ixpk= 334, nxpk= 10, iat= -1, 273, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 265, 266,
&end
#
# 0 AMB 10-2:335 17 HIS HN 4.50 (# 335:10 Single Ambig)
&rst
ixpk= 335, nxpk= 10, iat= -1, 273, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 265, 266, 262, 263,
&end
#
# 41 ASN HB+ 41 ASN HD2+ 4.50 (# 337:10 Unique 2.12, 3.30 A)
&rst
ixpk= 337, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 660, 661,
igr2= 665, 666,
&end
#
# 41 ASN HB- 41 ASN HD2+ 3.50 (# 338:10 Unique 2.12, 3.30 A)
&rst
ixpk= 338, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 660, 661,
igr2= 665, 666,
&end
#
# 41 ASN HB- 41 ASN HD2- 4.50 (# 340:10 Unique 2.12, 3.30 A)
&rst
ixpk= 340, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 660, 661,
igr2= 665, 666,
&end
#
# 19 GLN HA 20 GLY HN 4.50 (# 342:10 Unique 2.14, 2.56 A)
&rst
ixpk= 342, nxpk= 10, iat= 308, 323, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 30 LYS HN 31 GLU HN 3.50 (# 343:10 Unique 2.24, 2.65 A)
&rst
ixpk= 343, nxpk= 10, iat= 478, 500, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 32 ARG HN 31 GLU HN 3.50 (# 344:10 Unique 2.07, 2.29 A)
&rst
ixpk= 344, nxpk= 10, iat= 515, 500, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 31 GLU HA 31 GLU HN 3.50 (# 345:10 Unique 2.93, 2.94 A)
&rst
ixpk= 345, nxpk= 10, iat= 502, 500, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:346 31 GLU HN 4.50 (# 346:10 Single Ambig)
&rst
ixpk= 346, nxpk= 10, iat= -1, 500, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 507, 508, 507, 508,
&end
#
# 0 AMB 10-2:347 31 GLU HN 2.80 (# 347:10 Single Ambig)
&rst
ixpk= 347, nxpk= 10, iat= -1, 500, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 504, 505, 504, 505,
&end
#
# 0 AMB 10-2:348 31 GLU HN 3.50 (# 348:10 Single Ambig)
&rst
ixpk= 348, nxpk= 10, iat= -1, 500, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 482, 483, 519, 520,
&end
#
# 12 GLN HN 11 GLU HN 4.50 (# 349:10 Unique 2.30, 2.62 A)
&rst
ixpk= 349, nxpk= 10, iat= 186, 171, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 11 GLU HA 11 GLU HN 4.50 (# 350:10 Unique 2.76, 2.83 A)
&rst
ixpk= 350, nxpk= 10, iat= 173, 171, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:351 11 GLU HN 4.50 (# 351:10 Single Ambig)
&rst
ixpk= 351, nxpk= 10, iat= -1, 171, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 158, 159, 158, 159,
&end
#
# 0 AMB 10-2:352 11 GLU HN 4.50 (# 352:10 Single Ambig)
&rst
ixpk= 352, nxpk= 10, iat= -1, 171, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 178, 179, 178, 179,
&end
#
# 0 AMB 10-2:353 11 GLU HN 2.80 (# 353:10 Single Ambig)
&rst
ixpk= 353, nxpk= 10, iat= -1, 171, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 175, 176, 175, 176,
&end
#
# 10 PRO HB- 11 GLU HN 4.50 (# 354:10 Unique 3.09, 3.85 A)
&rst
ixpk= 354, nxpk= 10, iat= -1, 171, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 164, 165,
&end
#
# 9 VAL MGX 11 GLU HN 4.50 (# 355:10 Unique 2.14, 4.47 A)
&rst
ixpk= 355, nxpk= 10, iat= -1, 171, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 147, 148, 149, 151, 152, 153,
&end
#
# 36 ALA HN 37 VAL HN 2.80 (# 356:10 Unique 2.25, 2.48 A)
&rst
ixpk= 356, nxpk= 10, iat= 582, 592, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 37 VAL HB 37 VAL HN 3.50 (# 357:10 Unique 2.70, 2.87 A)
&rst
ixpk= 357, nxpk= 10, iat= 596, 592, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:358 37 VAL HN 2.80 (# 358:10 Single Ambig)
&rst
ixpk= 358, nxpk= 10, iat= -1, 592, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
igr1= 586, 587, 588, 549, 550,
&end
#
# 37 VAL MGX 37 VAL HN 4.50 (# 359:10 Unique 2.59, 4.16 A)
&rst
ixpk= 359, nxpk= 10, iat= -1, 592, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 598, 599, 600, 602, 603, 604,
&end
#
# 37 VAL HA 37 VAL HN 3.50 (# 360:10 Unique 2.92, 2.93 A)
&rst
ixpk= 360, nxpk= 10, iat= 594, 592, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 33 ILE HN 32 ARG HN 2.80 (# 361:10 Unique 2.05, 2.30 A)
&rst
ixpk= 361, nxpk= 10, iat= 539, 515, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 31 GLU HN 32 ARG HN 3.50 (# 362:10 Unique 2.07, 2.29 A)
&rst
ixpk= 362, nxpk= 10, iat= 500, 515, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 32 ARG HA 32 ARG HN 3.50 (# 363:10 Unique 2.75, 2.91 A)
&rst
ixpk= 363, nxpk= 10, iat= 517, 515, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:364 32 ARG HN 3.50 (# 364:10 Single Ambig)
&rst
ixpk= 364, nxpk= 10, iat= -1, 515, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 504, 505, 504, 505,
&end
#
# 0 AMB 10-2:365 32 ARG HN 3.50 (# 365:10 Single Ambig)
&rst
ixpk= 365, nxpk= 10, iat= -1, 515, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 519, 520, 522, 523,
&end
#
# 32 ARG HB- 32 ARG HN 2.80 (# 366:10 Unique 2.09, 2.73 A)
&rst
ixpk= 366, nxpk= 10, iat= -1, 515, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 519, 520,
&end
#
# 0 AMB 10-2:367 27 LYS HN 2.80 (# 367:10 Single Ambig)
&rst
ixpk= 367, nxpk= 10, iat= -1, 425, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 410, 411, 429, 430,
&end
#
# 0 AMB 10-2:368 27 LYS HN 3.50 (# 368:10 Single Ambig)
&rst
ixpk= 368, nxpk= 10, iat= -1, 425, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 410, 411, 432, 433, 432, 433,
&end
#
# 68 HIS HN 67 THR HN 3.50 (# 369:10 Unique 1.93, 2.57 A)
&rst
ixpk= 369, nxpk= 10, iat=1059,1045, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 66 TYR HA 67 THR HN 2.80 (# 371:10 Unique 2.14, 2.20 A)
&rst
ixpk= 371, nxpk= 10, iat=1026,1045, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:372 67 THR HN 3.50 (# 372:10 Single Ambig)
&rst
ixpk= 372, nxpk= 10, iat= -1,1045, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1047,1049,
&end
#
# 67 THR MG2 67 THR HN 3.50 (# 373:10 Unique 2.27, 3.43 A)
&rst
ixpk= 373, nxpk= 10, iat= -1,1045, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1051,1052,1053,
&end
#
# 27 LYS HA 27 LYS HN 3.50 (# 374:10 Unique 2.69, 2.82 A)
&rst
ixpk= 374, nxpk= 10, iat= 427, 425, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 54 SER HN 55 GLY HN 4.50 (# 379:10 Unique 2.71, 2.81 A)
&rst
ixpk= 379, nxpk= 10, iat= 854, 865, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 55 GLY HA+ 55 GLY HN 2.80 (# 380:10 Unique 2.29, 2.55 A)
&rst
ixpk= 380, nxpk= 10, iat= -1, 865, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 867, 868,
&end
#
# 0 AMB 10-2:381 55 GLY HN 3.50 (# 381:10 Single Ambig)
&rst
ixpk= 381, nxpk= 10, iat= -1, 865, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 867, 868, 858, 859,
&end
#
# 56 GLN HG+ 56 GLN HE2+ 4.50 (# 382:10 Unique 2.13, 3.32 A)
&rst
ixpk= 382, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 879, 880,
igr2= 884, 885,
&end
#
# 0 AMB 10-2:383 0 AMB 10-1:383 4.50 (# 383:10 Double Ambig)
&rst
ixpk= 383, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 876, 877, 879, 880,
igr2= 884, 885, 884, 885,
&end
#
# 8 ARG HA 9 VAL HN 3.50 (# 385:10 Unique 2.24, 2.31 A)
&rst
ixpk= 385, nxpk= 10, iat= 119, 141, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 8 ARG HB+ 9 VAL HN 4.50 (# 386:10 Unique 2.43, 3.56 A)
&rst
ixpk= 386, nxpk= 10, iat= -1, 141, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 121, 122,
&end
#
# 8 ARG HB- 9 VAL HN 4.50 (# 387:10 Unique 2.43, 3.56 A)
&rst
ixpk= 387, nxpk= 10, iat= -1, 141, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 121, 122,
&end
#
# 9 VAL MGY 9 VAL HN 3.50 (# 388:10 Unique 1.95, 3.03 A)
&rst
ixpk= 388, nxpk= 10, iat= -1, 141, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 147, 148, 149, 151, 152, 153,
&end
#
# 0 AMB 10-2:389 0 AMB 10-1:389 2.80 (# 389:10 Double Ambig)
&rst
ixpk= 389, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 147, 148, 149, 151, 152, 153, 946, 947,
igr2= 141, 884, 885,
&end
#
# 71 ASN HB- 71 ASN HD2+ 4.50 (# 390:10 Unique 2.52, 3.49 A)
&rst
ixpk= 390, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1111,1112,
igr2=1116,1117,
&end
#
# 71 ASN HB+ 71 ASN HD2+ 4.50 (# 391:10 Unique 2.52, 3.49 A)
&rst
ixpk= 391, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1111,1112,
igr2=1116,1117,
&end
#
# 12 GLN HG- 12 GLN HE2+ 5.50 (# 393:10 Unique 2.13, 3.27 A)
&rst
ixpk= 393, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 193, 194,
igr2= 198, 199,
&end
#
# 74 GLY HA+ 74 GLY HN 4.50 (# 395:10 Unique 2.29, 2.67 A)
&rst
ixpk= 395, nxpk= 10, iat= -1,1138, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1140,1141,
&end
#
# 73 GLY HA+ 74 GLY HN 2.80 (# 396:10 Unique 2.14, 2.72 A)
&rst
ixpk= 396, nxpk= 10, iat= -1,1138, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1133,1134,
&end
#
# 74 GLY HA- 74 GLY HN 2.80 (# 397:10 Unique 2.29, 2.67 A)
&rst
ixpk= 397, nxpk= 10, iat= -1,1138, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1140,1141,
&end
#
# 35 THR HA 35 THR HN 3.50 (# 398:10 Unique 2.91, 2.93 A)
&rst
ixpk= 398, nxpk= 10, iat= 570, 568, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:399 35 THR HN 4.50 (# 399:10 Single Ambig)
&rst
ixpk= 399, nxpk= 10, iat= -1, 568, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 574, 575, 576, 549, 550,
&end
#
# 34 ALA HN 35 THR HN 3.50 (# 400:10 Unique 2.44, 2.63 A)
&rst
ixpk= 400, nxpk= 10, iat= 558, 568, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 35 THR HB 35 THR HN 3.50 (# 401:10 Unique 2.59, 2.84 A)
&rst
ixpk= 401, nxpk= 10, iat= 572, 568, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 34 ALA MB 35 THR HN 3.50 (# 402:10 Unique 2.74, 3.67 A)
&rst
ixpk= 402, nxpk= 10, iat= -1, 568, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 562, 563, 564,
&end
#
# 23 ASN HA 23 ASN HD2+ 4.50 (# 404:10 Unique 1.98, 2.91 A)
&rst
ixpk= 404, nxpk= 10, iat= 361, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 368, 369,
&end
#
# 23 ASN HA 23 ASN HD2- 3.50 (# 405:10 Unique 1.98, 2.91 A)
&rst
ixpk= 405, nxpk= 10, iat= 361, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 368, 369,
&end
#
# 24 ILE HN 23 ASN HD2- 4.50 (# 406:10 Unique 3.03, 3.95 A)
&rst
ixpk= 406, nxpk= 10, iat= 373, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 368, 369,
&end
#
# 79 ALA HA 79 ALA HN 4.50 (# 408:10 Unique 2.27, 2.72 A)
&rst
ixpk= 408, nxpk= 10, iat=1219,1217, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 78 ILE HA 79 ALA HN 3.50 (# 409:10 Unique 2.14, 2.57 A)
&rst
ixpk= 409, nxpk= 10, iat=1200,1217, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 79 ALA MB 79 ALA HN 3.50 (# 410:10 Unique 2.33, 3.16 A)
&rst
ixpk= 410, nxpk= 10, iat= -1,1217, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1221,1222,1223,
&end
#
# 78 ILE QG2 79 ALA HN 5.50 (# 411:10 Unique 2.43, 3.81 A)
&rst
ixpk= 411, nxpk= 10, iat= -1,1217, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1204,1205,1206,
&end
#
# 72 ALA HN 73 GLY HN 4.50 (# 412:10 Unique 2.10, 2.56 A)
&rst
ixpk= 412, nxpk= 10, iat=1121,1131, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 73 GLY HA+ 73 GLY HN 3.50 (# 413:10 Unique 2.29, 2.68 A)
&rst
ixpk= 413, nxpk= 10, iat= -1,1131, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1133,1134,
&end
#
# 73 GLY HA- 73 GLY HN 3.50 (# 414:10 Unique 2.29, 2.68 A)
&rst
ixpk= 414, nxpk= 10, iat= -1,1131, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1133,1134,
&end
#
# 66 TYR HN 65 GLY HN 3.50 (# 415:10 Unique 1.90, 2.08 A)
&rst
ixpk= 415, nxpk= 10, iat=1024,1017, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 65 GLY HA- 65 GLY HN 3.50 (# 416:10 Unique 2.53, 2.77 A)
&rst
ixpk= 416, nxpk= 10, iat= -1,1017, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1019,1020,
&end
#
# 65 GLY HA+ 65 GLY HN 3.50 (# 417:10 Unique 2.53, 2.77 A)
&rst
ixpk= 417, nxpk= 10, iat= -1,1017, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1019,1020,
&end
#
# 0 AMB 10-2:418 19 GLN HN 5.50 (# 418:10 Single Ambig)
&rst
ixpk= 418, nxpk= 10, iat= -1, 306, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=1238,1239,1240,1251,1252,
&end
#
# 0 AMB 10-2:419 19 GLN HN 5.50 (# 419:10 Single Ambig)
&rst
ixpk= 419, nxpk= 10, iat= -1, 306, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1231,1232,1265,1266,
&end
#
# 83 VAL MGX 19 GLN HN 5.50 (# 420:10 Unique 2.74, 5.67 A)
&rst
ixpk= 420, nxpk= 10, iat= -1, 306, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1286,1287,1288,1290,1291,1292,
&end
#
# 46 VAL HN 72 ALA HN 4.50 (# 421:10 Unique 2.00, 3.12 A)
&rst
ixpk= 421, nxpk= 10, iat= 734,1121, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 47 TYR HA 72 ALA HN 5.50 (# 422:10 Unique 3.51, 4.02 A)
&rst
ixpk= 422, nxpk= 10, iat= 752,1121, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 46 VAL MGX 72 ALA HN 4.50 (# 423:10 Unique 2.04, 4.87 A)
&rst
ixpk= 423, nxpk= 10, iat= -1,1121, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 740, 741, 742, 744, 745, 746,
&end
#
# 0 AMB 10-2:424 72 ALA HN 5.50 (# 424:10 Single Ambig)
&rst
ixpk= 424, nxpk= 10, iat= -1,1121, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1096,1097, 738,
&end
#
# 0 AMB 10-2:425 4 TRP HE1 5.50 (# 425:10 Single Ambig)
&rst
ixpk= 425, nxpk= 10, iat= -1, 56, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 18, 19, 18, 19,
&end
#
# 45 LYS HD- 4 TRP HE1 4.50 (# 426:10 Unique 2.91, 4.63 A)
&rst
ixpk= 426, nxpk= 10, iat= -1, 56, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 722, 723,
&end
#
# 0 AMB 10-2:427 4 TRP HE1 5.50 (# 427:10 Single Ambig)
&rst
ixpk= 427, nxpk= 10, iat= -1, 56, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 296, 297, 298, 300, 301, 302, 296, 297, 298, 300,
301, 302,
&end
#
# 70 GLU HN 44 VAL HN 5.50 (# 428:10 Unique 2.68, 3.61 A)
&rst
ixpk= 428, nxpk= 10, iat=1092, 696, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 68 HIS HB+ 44 VAL HN 5.50 (# 429:10 Unique 3.38, 4.67 A)
&rst
ixpk= 429, nxpk= 10, iat= -1, 696, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1063,1064,
&end
#
# 68 HIS HB- 44 VAL HN 5.50 (# 430:10 Unique 3.38, 4.67 A)
&rst
ixpk= 430, nxpk= 10, iat= -1, 696, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1063,1064,
&end
#
# 44 VAL MGX 44 VAL HN 5.50 (# 431:10 Unique 1.96, 3.92 A)
&rst
ixpk= 431, nxpk= 10, iat= -1, 696, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 702, 703, 704, 706, 707, 708,
&end
#
# 45 LYS HB- 45 LYS HN 4.50 (# 432:10 Unique 2.10, 2.96 A)
&rst
ixpk= 432, nxpk= 10, iat= -1, 712, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 716, 717,
&end
#
# 0 AMB 10-2:433 45 LYS HN 5.50 (# 433:10 Single Ambig)
&rst
ixpk= 433, nxpk= 10, iat= -1, 712, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 700,1096,1097,
&end
#
# 3 HIS HB- 45 LYS HN 5.50 (# 434:10 Unique 3.50, 4.56 A)
&rst
ixpk= 434, nxpk= 10, iat= -1, 712, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 33, 34,
&end
#
# 4 TRP HA 45 LYS HN 4.50 (# 435:10 Unique 3.21, 3.48 A)
&rst
ixpk= 435, nxpk= 10, iat= 48, 712, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:436 45 LYS HN 4.50 (# 436:10 Single Ambig)
&rst
ixpk= 436, nxpk= 10, iat= -1, 712, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 29, 734,
&end
#
# 5 ILE HN 45 LYS HN 5.50 (# 437:10 Unique 3.37, 3.94 A)
&rst
ixpk= 437, nxpk= 10, iat= 70, 712, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 22 ILE HN 6 ASP HN 5.50 (# 438:10 Unique 2.79, 3.54 A)
&rst
ixpk= 438, nxpk= 10, iat= 340, 89, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 24 ILE HN 6 ASP HN 5.50 (# 439:10 Unique 3.12, 3.56 A)
&rst
ixpk= 439, nxpk= 10, iat= 373, 89, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 6 ASP HA 6 ASP HN 5.50 (# 440:10 Unique 2.80, 2.89 A)
&rst
ixpk= 440, nxpk= 10, iat= 91, 89, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:441 6 ASP HN 4.50 (# 441:10 Single Ambig)
&rst
ixpk= 441, nxpk= 10, iat= -1, 89, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 334, 335, 336, 344, 74,
&end
#
# 44 VAL HN 70 GLU HN 5.50 (# 442:10 Unique 2.68, 3.61 A)
&rst
ixpk= 442, nxpk= 10, iat= 696,1092, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 46 VAL HN 70 GLU HN 5.50 (# 443:10 Unique 3.97, 4.74 A)
&rst
ixpk= 443, nxpk= 10, iat= 734,1092, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 69 VAL HN 70 GLU HN 5.50 (# 444:10 Unique 4.16, 4.46 A)
&rst
ixpk= 444, nxpk= 10, iat=1076,1092, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 70 GLU HA 70 GLU HN 4.50 (# 445:10 Unique 2.83, 2.91 A)
&rst
ixpk= 445, nxpk= 10, iat=1094,1092, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:446 70 GLU HN 4.50 (# 446:10 Single Ambig)
&rst
ixpk= 446, nxpk= 10, iat= -1,1092, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1099,1100,1099,1100,
&end
#
# 44 VAL MGX 70 GLU HN 5.50 (# 447:10 Unique 2.55, 5.95 A)
&rst
ixpk= 447, nxpk= 10, iat= -1,1092, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 702, 703, 704, 706, 707, 708,
&end
#
# 0 AMB 10-2:448 70 GLU HN 5.50 (# 448:10 Single Ambig)
&rst
ixpk= 448, nxpk= 10, iat= -1,1092, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
igr1= 964, 965, 966, 968, 969, 970, 719, 720, 716, 717,
&end
#
# 69 VAL HN 68 HIS HN 4.50 (# 449:10 Unique 2.29, 3.00 A)
&rst
ixpk= 449, nxpk= 10, iat=1076,1059, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:450 68 HIS HN 4.50 (# 450:10 Single Ambig)
&rst
ixpk= 450, nxpk= 10, iat= -1,1059, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1026, 976,
&end
#
# 67 THR HA 68 HIS HN 4.50 (# 451:10 Unique 2.72, 2.98 A)
&rst
ixpk= 451, nxpk= 10, iat=1047,1059, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 68 HIS HB+ 68 HIS HN 4.50 (# 452:10 Unique 2.53, 3.32 A)
&rst
ixpk= 452, nxpk= 10, iat= -1,1059, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1063,1064,
&end
#
# 66 TYR HB+ 68 HIS HN 5.50 (# 453:10 Unique 2.57, 3.40 A)
&rst
ixpk= 453, nxpk= 10, iat= -1,1059, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1028,1029,
&end
#
# 67 THR MG2 68 HIS HN 5.50 (# 454:10 Unique 4.39, 5.21 A)
&rst
ixpk= 454, nxpk= 10, iat= -1,1059, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1051,1052,1053,
&end
#
# 6 ASP HN 24 ILE HN 5.50 (# 455:10 Unique 3.12, 3.56 A)
&rst
ixpk= 455, nxpk= 10, iat= 89, 373, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 23 ASN HN 24 ILE HN 5.50 (# 456:10 Unique 2.86, 3.72 A)
&rst
ixpk= 456, nxpk= 10, iat= 359, 373, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 7 VAL HA 24 ILE HN 5.50 (# 457:10 Unique 4.41, 4.65 A)
&rst
ixpk= 457, nxpk= 10, iat= 103, 373, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 24 ILE HA 24 ILE HN 4.50 (# 458:10 Unique 2.86, 2.90 A)
&rst
ixpk= 458, nxpk= 10, iat= 375, 373, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 6 ASP HB+ 24 ILE HN 5.50 (# 459:10 Unique 2.45, 3.90 A)
&rst
ixpk= 459, nxpk= 10, iat= -1, 373, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 93, 94,
&end
#
# 24 ILE HG1- 24 ILE HN 5.50 (# 460:10 Unique 2.38, 2.96 A)
&rst
ixpk= 460, nxpk= 10, iat= -1, 373, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 383, 384,
&end
#
# 24 ILE HG1+ 24 ILE HN 4.50 (# 461:10 Unique 2.38, 2.96 A)
&rst
ixpk= 461, nxpk= 10, iat= -1, 373, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 383, 384,
&end
#
# 4 TRP HD1 4 TRP HN 4.50 (# 462:10 Unique 2.58, 3.20 A)
&rst
ixpk= 462, nxpk= 10, iat= 54, 46, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 21 ALA HA 4 TRP HN 4.50 (# 463:10 Unique 3.18, 3.88 A)
&rst
ixpk= 463, nxpk= 10, iat= 332, 46, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 3 HIS HB- 4 TRP HN 5.50 (# 464:10 Unique 2.45, 3.23 A)
&rst
ixpk= 464, nxpk= 10, iat= -1, 46, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 33, 34,
&end
#
# 0 AMB 10-2:465 4 TRP HN 5.50 (# 465:10 Single Ambig)
&rst
ixpk= 465, nxpk= 10, iat= -1, 46, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
igr1= 334, 335, 336, 344, 74, 18, 19,
&end
#
# 0 AMB 10-2:466 4 TRP HN 5.50 (# 466:10 Single Ambig)
&rst
ixpk= 466, nxpk= 10, iat= -1, 46, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 83, 84, 85, 716, 717,
&end
#
# 83 VAL MGY 84 LYS HN 4.50 (# 468:10 Unique 2.10, 4.35 A)
&rst
ixpk= 468, nxpk= 10, iat= -1,1296, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1286,1287,1288,1290,1291,1292,
&end
#
# 83 VAL MGX 84 LYS HN 4.50 (# 469:10 Unique 2.10, 4.35 A)
&rst
ixpk= 469, nxpk= 10, iat= -1,1296, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1286,1287,1288,1290,1291,1292,
&end
#
# 24 ILE HN 23 ASN HN 5.50 (# 470:10 Unique 2.86, 3.72 A)
&rst
ixpk= 470, nxpk= 10, iat= 373, 359, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 23 ASN HD2- 23 ASN HN 5.50 (# 471:10 Unique 4.20, 5.13 A)
&rst
ixpk= 471, nxpk= 10, iat= -1, 359, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 368, 369,
&end
#
# 0 AMB 10-2:472 23 ASN HN 5.50 (# 472:10 Single Ambig)
&rst
ixpk= 472, nxpk= 10, iat= -1, 359, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 350, 351, 377,
&end
#
# 0 AMB 10-2:473 23 ASN HN 5.50 (# 473:10 Single Ambig)
&rst
ixpk= 473, nxpk= 10, iat= -1, 359, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 83, 84, 85, 76, 77, 78, 379, 380, 381,
&end
#
# 54 SER HN 53 GLN HN 4.50 (# 474:10 Unique 2.19, 2.45 A)
&rst
ixpk= 474, nxpk= 10, iat= 854, 837, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:475 53 GLN HN 4.50 (# 475:10 Single Ambig)
&rst
ixpk= 475, nxpk= 10, iat= -1, 837, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 839, 815,
&end
#
# 53 GLN HG+ 53 GLN HN 4.50 (# 476:10 Unique 2.03, 4.03 A)
&rst
ixpk= 476, nxpk= 10, iat= -1, 837, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 844, 845,
&end
#
# 53 GLN HB+ 53 GLN HN 4.50 (# 477:10 Unique 2.11, 2.75 A)
&rst
ixpk= 477, nxpk= 10, iat= -1, 837, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 841, 842,
&end
#
# 53 GLN HG- 53 GLN HN 5.50 (# 478:10 Unique 2.03, 4.03 A)
&rst
ixpk= 478, nxpk= 10, iat= -1, 837, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 844, 845,
&end
#
# 0 AMB 10-2:479 53 GLN HN 4.50 (# 479:10 Single Ambig)
&rst
ixpk= 479, nxpk= 10, iat= -1, 837, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 817, 818, 817, 818,
&end
#
# 34 ALA HN 36 ALA HN 5.50 (# 480:10 Unique 3.79, 3.95 A)
&rst
ixpk= 480, nxpk= 10, iat= 558, 582, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:481 36 ALA HN 4.50 (# 481:10 Single Ambig)
&rst
ixpk= 481, nxpk= 10, iat= -1, 582, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 570, 594,
&end
#
# 33 ILE HA 36 ALA HN 4.50 (# 482:10 Unique 2.82, 3.04 A)
&rst
ixpk= 482, nxpk= 10, iat= 541, 582, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:483 36 ALA HN 5.50 (# 483:10 Single Ambig)
&rst
ixpk= 483, nxpk= 10, iat= -1, 582, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 522, 523, 519, 520, 596,
&end
#
# 0 AMB 10-2:484 36 ALA HN 5.50 (# 484:10 Single Ambig)
&rst
ixpk= 484, nxpk= 10, iat= -1, 582, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 386, 387, 388, 83, 84, 85, 379, 380, 381,
&end
#
# 37 VAL MGX 36 ALA HN 5.50 (# 485:10 Unique 4.28, 6.29 A)
&rst
ixpk= 485, nxpk= 10, iat= -1, 582, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 598, 599, 600, 602, 603, 604,
&end
#
# 4 TRP HE3 5 ILE HN 5.50 (# 486:10 Unique 2.75, 3.47 A)
&rst
ixpk= 486, nxpk= 10, iat= 65, 70, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 47 TYR HN 5 ILE HN 5.50 (# 487:10 Unique 3.91, 4.31 A)
&rst
ixpk= 487, nxpk= 10, iat= 750, 70, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 45 LYS HN 5 ILE HN 5.50 (# 488:10 Unique 3.37, 3.94 A)
&rst
ixpk= 488, nxpk= 10, iat= 712, 70, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 4 TRP HB+ 5 ILE HN 4.50 (# 489:10 Unique 3.01, 3.88 A)
&rst
ixpk= 489, nxpk= 10, iat= -1, 70, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 50, 51,
&end
#
# 0 AMB 10-2:490 5 ILE HN 5.50 (# 490:10 Single Ambig)
&rst
ixpk= 490, nxpk= 10, iat= -1, 70, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 740, 741, 742, 744, 745, 746, 107, 108, 109, 111,
112, 113,
&end
#
# 39 ASP HB- 40 LYS HN 5.50 (# 491:10 Unique 2.78, 3.61 A)
&rst
ixpk= 491, nxpk= 10, iat= -1, 634, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 626, 627,
&end
#
# 0 AMB 10-2:492 40 LYS HN 5.50 (# 492:10 Single Ambig)
&rst
ixpk= 492, nxpk= 10, iat= -1, 634, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 647, 648, 647, 648,
&end
#
# 39 ASP HB+ 40 LYS HN 5.50 (# 493:10 Unique 2.78, 3.61 A)
&rst
ixpk= 493, nxpk= 10, iat= -1, 634, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 626, 627,
&end
#
# 0 AMB 10-2:494 63 GLU HN 5.50 (# 494:10 Single Ambig)
&rst
ixpk= 494, nxpk= 10, iat= -1, 985, r1= 0.00, r2= 1.80, r3= 8.64, r4= 9.39,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088, 942, 943, 944,
&end
#
# 60 ILE HA 63 GLU HN 5.50 (# 495:10 Unique 3.45, 3.82 A)
&rst
ixpk= 495, nxpk= 10, iat= 938, 985, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 62 SER HA 63 GLU HN 5.50 (# 496:10 Unique 3.52, 3.56 A)
&rst
ixpk= 496, nxpk= 10, iat= 976, 985, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 61 LEU HN 63 GLU HN 5.50 (# 497:10 Unique 4.18, 4.46 A)
&rst
ixpk= 497, nxpk= 10, iat= 955, 985, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 47 TYR HD 75 LEU HN 5.50 (# 499:10 Unique 2.85, 6.30 A)
&rst
ixpk= 499, nxpk= 10, iat= -1,1145, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 758, 767,
&end
#
# 75 LEU MDX 75 LEU HN 5.50 (# 500:10 Unique 2.62, 4.86 A)
&rst
ixpk= 500, nxpk= 10, iat= -1,1145, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1154,1155,1156,1158,1159,1160,
&end
#
# 75 LEU MDY 75 LEU HN 5.50 (# 501:10 Unique 2.62, 4.86 A)
&rst
ixpk= 501, nxpk= 10, iat= -1,1145, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1154,1155,1156,1158,1159,1160,
&end
#
# 78 ILE QD1 75 LEU HN 5.50 (# 502:10 Unique 3.26, 5.55 A)
&rst
ixpk= 502, nxpk= 10, iat= -1,1145, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1211,1212,1213,
&end
#
# 75 LEU HB- 75 LEU HN 3.50 (# 503:10 Unique 2.04, 2.83 A)
&rst
ixpk= 503, nxpk= 10, iat= -1,1145, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1149,1150,
&end
#
# 7 VAL MGX 26 LEU HN 5.50 (# 504:10 Unique 3.50, 5.28 A)
&rst
ixpk= 504, nxpk= 10, iat= -1, 406, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 107, 108, 109, 111, 112, 113,
&end
#
# 0 AMB 10-2:505 26 LEU HN 4.50 (# 505:10 Single Ambig)
&rst
ixpk= 505, nxpk= 10, iat= -1, 406, r1= 0.00, r2= 1.80, r3= 6.99, r4= 7.74,
igr1= 468, 469, 470, 472, 473, 474, 107, 108, 109, 111,
112, 113, 383, 384,
&end
#
# 0 AMB 10-2:506 26 LEU HN 4.50 (# 506:10 Single Ambig)
&rst
ixpk= 506, nxpk= 10, iat= -1, 406, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 468, 469, 470, 472, 473, 474, 415, 416, 417, 419,
420, 421,
&end
#
# 0 AMB 10-2:507 26 LEU HN 5.50 (# 507:10 Single Ambig)
&rst
ixpk= 507, nxpk= 10, iat= -1, 406, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 415, 416, 417, 419, 420, 421, 147, 148, 149, 151,
152, 153,
&end
#
# 25 PRO HB- 26 LEU HN 4.50 (# 508:10 Unique 2.34, 3.70 A)
&rst
ixpk= 508, nxpk= 10, iat= -1, 406, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 399, 400,
&end
#
# 25 PRO HB+ 26 LEU HN 5.50 (# 509:10 Unique 2.34, 3.70 A)
&rst
ixpk= 509, nxpk= 10, iat= -1, 406, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 399, 400,
&end
#
# 27 LYS HN 26 LEU HN 4.50 (# 510:10 Unique 2.56, 3.07 A)
&rst
ixpk= 510, nxpk= 10, iat= 425, 406, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:514 34 ALA HN 5.50 (# 514:10 Single Ambig)
&rst
ixpk= 514, nxpk= 10, iat= -1, 558, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 552, 553, 554, 386, 387, 388, 379, 380, 381,
&end
#
# 0 AMB 10-2:515 34 ALA HN 5.50 (# 515:10 Single Ambig)
&rst
ixpk= 515, nxpk= 10, iat= -1, 558, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 543, 519, 520, 522, 523,
&end
#
# 64 MET ME 34 ALA HN 5.50 (# 516:10 Unique 3.26, 4.68 A)
&rst
ixpk= 516, nxpk= 10, iat= -1, 558, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1011,1012,1013,
&end
#
# 32 ARG HA 34 ALA HN 5.50 (# 517:10 Unique 3.78, 3.91 A)
&rst
ixpk= 517, nxpk= 10, iat= 517, 558, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:520 78 ILE HN 5.50 (# 520:10 Single Ambig)
&rst
ixpk= 520, nxpk= 10, iat= -1,1198, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1190,1191,1271,1272,
&end
#
# 0 AMB 10-2:521 78 ILE HN 4.50 (# 521:10 Single Ambig)
&rst
ixpk= 521, nxpk= 10, iat= -1,1198, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1190,1191,1271,1272,
&end
#
# 78 ILE QD1 78 ILE HN 4.50 (# 522:10 Unique 3.57, 4.47 A)
&rst
ixpk= 522, nxpk= 10, iat= -1,1198, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1211,1212,1213,
&end
#
# 7 VAL MGX 8 ARG HN 5.50 (# 527:10 Unique 2.20, 4.16 A)
&rst
ixpk= 527, nxpk= 10, iat= -1, 117, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 107, 108, 109, 111, 112, 113,
&end
#
# 8 ARG HB+ 8 ARG HN 4.50 (# 528:10 Unique 2.06, 2.79 A)
&rst
ixpk= 528, nxpk= 10, iat= -1, 117, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 121, 122,
&end
#
# 7 VAL MGY 8 ARG HN 5.50 (# 529:10 Unique 2.20, 4.16 A)
&rst
ixpk= 529, nxpk= 10, iat= -1, 117, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 107, 108, 109, 111, 112, 113,
&end
#
# 0 AMB 10-2:530 8 ARG HN 5.50 (# 530:10 Single Ambig)
&rst
ixpk= 530, nxpk= 10, iat= -1, 117, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 91, 402,
&end
#
# 8 ARG HA 8 ARG HN 4.50 (# 531:10 Unique 2.75, 2.78 A)
&rst
ixpk= 531, nxpk= 10, iat= 119, 117, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 7 VAL HA 8 ARG HN 4.50 (# 533:10 Unique 2.60, 3.37 A)
&rst
ixpk= 533, nxpk= 10, iat= 103, 117, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:534 8 ARG HN 5.50 (# 534:10 Single Ambig)
&rst
ixpk= 534, nxpk= 10, iat= -1, 117, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 130, 89,
&end
#
# 0 AMB 10-2:535 21 ALA HN 4.50 (# 535:10 Single Ambig)
&rst
ixpk= 535, nxpk= 10, iat= -1, 330, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 296, 297, 298, 300, 301, 302, 296, 297, 298, 300,
301, 302,
&end
#
# 0 AMB 10-2:536 0 AMB 10-1:536 5.50 (# 536:10 Double Ambig)
&rst
ixpk= 536, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 294, 413,
igr2= 330, 889,
&end
#
# 4 TRP HB+ 21 ALA HN 5.50 (# 537:10 Unique 3.13, 4.69 A)
&rst
ixpk= 537, nxpk= 10, iat= -1, 330, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 50, 51,
&end
#
# 20 GLY HA- 21 ALA HN 4.50 (# 538:10 Unique 2.14, 2.98 A)
&rst
ixpk= 538, nxpk= 10, iat= -1, 330, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 325, 326,
&end
#
# 0 AMB 10-2:539 0 AMB 10-1:539 4.50 (# 539:10 Double Ambig)
&rst
ixpk= 539, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 891, 308,
igr2= 889, 330,
&end
#
# 20 GLY HA+ 21 ALA HN 4.50 (# 540:10 Unique 2.14, 2.98 A)
&rst
ixpk= 540, nxpk= 10, iat= -1, 330, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 325, 326,
&end
#
# 0 AMB 10-2:542 3 HIS HN 4.50 (# 542:10 Single Ambig)
&rst
ixpk= 542, nxpk= 10, iat= -1, 29, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 686, 6,
&end
#
# 0 AMB 10-2:543 0 AMB 10-1:543 4.50 (# 543:10 Double Ambig)
&rst
ixpk= 543, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 33, 34,1271,1272,
igr2= 29,1258,
&end
#
# 82 LYS HG- 82 LYS HN 4.50 (# 544:10 Unique 2.14, 3.71 A)
&rst
ixpk= 544, nxpk= 10, iat= -1,1258, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1265,1266,
&end
#
# 0 AMB 10-2:545 3 HIS HN 5.50 (# 545:10 Single Ambig)
&rst
ixpk= 545, nxpk= 10, iat= -1, 29, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 719, 720, 702, 703, 704, 706, 707, 708,
&end
#
# 55 GLY HN 56 GLN HN 4.50 (# 546:10 Unique 2.53, 2.69 A)
&rst
ixpk= 546, nxpk= 10, iat= 865, 872, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:547 56 GLN HN 5.50 (# 547:10 Single Ambig)
&rst
ixpk= 547, nxpk= 10, iat= -1, 872, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 415, 416, 417, 419, 420, 421, 740, 741, 742, 744,
745, 746,
&end
#
# 57 ALA MB 56 GLN HN 4.50 (# 548:10 Unique 4.21, 5.20 A)
&rst
ixpk= 548, nxpk= 10, iat= -1, 872, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 893, 894, 895,
&end
#
# 22 ILE HA 22 ILE HN 4.50 (# 550:10 Unique 2.85, 2.93 A)
&rst
ixpk= 550, nxpk= 10, iat= 342, 340, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 4 TRP HB- 22 ILE HN 5.50 (# 551:10 Unique 3.86, 4.64 A)
&rst
ixpk= 551, nxpk= 10, iat= -1, 340, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 50, 51,
&end
#
# 22 ILE HG1- 22 ILE HN 4.50 (# 552:10 Unique 1.94, 3.02 A)
&rst
ixpk= 552, nxpk= 10, iat= -1, 340, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 350, 351,
&end
#
# 22 ILE QG2 22 ILE HN 4.50 (# 553:10 Unique 4.40, 4.65 A)
&rst
ixpk= 553, nxpk= 10, iat= -1, 340, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 346, 347, 348,
&end
#
# 5 ILE QD1 22 ILE HN 4.50 (# 554:10 Unique 2.55, 4.25 A)
&rst
ixpk= 554, nxpk= 10, iat= -1, 340, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 83, 84, 85,
&end
#
# 0 AMB 10-2:556 0 AMB 10-1:556 5.50 (# 556:10 Double Ambig)
&rst
ixpk= 556, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 874, 502,
igr2= 889, 539,
&end
#
# 0 AMB 10-2:557 57 ALA HN 5.50 (# 557:10 Single Ambig)
&rst
ixpk= 557, nxpk= 10, iat= -1, 889, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 879, 880, 841, 842,
&end
#
# 26 LEU MDX 57 ALA HN 5.50 (# 558:10 Unique 2.32, 4.71 A)
&rst
ixpk= 558, nxpk= 10, iat= -1, 889, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 415, 416, 417, 419, 420, 421,
&end
#
# 0 AMB 10-2:559 0 AMB 10-1:559 5.50 (# 559:10 Double Ambig)
&rst
ixpk= 559, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 107, 108, 109, 111, 112, 113, 549, 550,
igr2= 889, 539,
&end
#
# 0 AMB 10-2:560 42 ASP HN 5.50 (# 560:10 Single Ambig)
&rst
ixpk= 560, nxpk= 10, iat= -1, 670, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 665, 666, 634,
&end
#
# 0 AMB 10-2:561 42 ASP HN 5.50 (# 561:10 Single Ambig)
&rst
ixpk= 561, nxpk= 10, iat= -1, 670, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 682, 622,
&end
#
# 40 LYS HA 42 ASP HN 5.50 (# 565:10 Unique 3.42, 4.17 A)
&rst
ixpk= 565, nxpk= 10, iat= 636, 670, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 39 ASP HB- 42 ASP HN 5.50 (# 566:10 Unique 2.04, 3.49 A)
&rst
ixpk= 566, nxpk= 10, iat= -1, 670, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 626, 627,
&end
#
# 32 ARG HA 33 ILE HN 4.50 (# 567:10 Unique 3.52, 3.54 A)
&rst
ixpk= 567, nxpk= 10, iat= 517, 539, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 29 VAL HA 33 ILE HN 4.50 (# 568:10 Unique 2.29, 2.79 A)
&rst
ixpk= 568, nxpk= 10, iat= 464, 539, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:569 0 AMB 10-1:569 5.50 (# 569:10 Double Ambig)
&rst
ixpk= 569, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 105,1011,1012,1013, 507, 508,
igr2= 889, 539,
&end
#
# 0 AMB 10-2:570 33 ILE HN 5.50 (# 570:10 Single Ambig)
&rst
ixpk= 570, nxpk= 10, iat= -1, 539, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 586, 587, 588, 549, 550,
&end
#
# 57 ALA MB 57 ALA HN 5.50 (# 571:10 Unique 2.13, 2.89 A)
&rst
ixpk= 571, nxpk= 10, iat= -1, 889, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 893, 894, 895,
&end
#
# 0 AMB 10-2:572 0 AMB 10-1:572 4.50 (# 572:10 Double Ambig)
&rst
ixpk= 572, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 468, 469, 470, 472, 473, 474, 107, 108, 109, 111,
112, 113,
igr2= 539, 889,
&end
#
# 0 AMB 10-2:573 69 VAL HN 5.50 (# 573:10 Single Ambig)
&rst
ixpk= 573, nxpk= 10, iat= -1,1076, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1063,1064, 912, 913, 912, 913,
&end
#
# 68 HIS HB+ 69 VAL HN 5.50 (# 574:10 Unique 3.69, 4.36 A)
&rst
ixpk= 574, nxpk= 10, iat= -1,1076, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1063,1064,
&end
#
# 70 GLU HN 69 VAL HN 5.50 (# 576:10 Unique 4.16, 4.46 A)
&rst
ixpk= 576, nxpk= 10, iat=1092,1076, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 68 HIS HN 69 VAL HN 4.50 (# 577:10 Unique 2.29, 3.00 A)
&rst
ixpk= 577, nxpk= 10, iat=1059,1076, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 47 TYR HE 18 VAL HN 5.50 (# 579:10 Unique 2.53, 3.88 A)
&rst
ixpk= 579, nxpk= 10, iat= -1, 290, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 760, 765,
&end
#
# 18 VAL HA 18 VAL HN 4.50 (# 580:10 Unique 2.78, 2.85 A)
&rst
ixpk= 580, nxpk= 10, iat= 292, 290, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 17 HIS HB- 18 VAL HN 4.50 (# 581:10 Unique 1.95, 3.10 A)
&rst
ixpk= 581, nxpk= 10, iat= -1, 290, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 277, 278,
&end
#
# 75 LEU MDY 18 VAL HN 5.50 (# 582:10 Unique 2.72, 5.11 A)
&rst
ixpk= 582, nxpk= 10, iat= -1, 290, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1154,1155,1156,1158,1159,1160,
&end
#
# 0 AMB 10-2:583 18 VAL HN 5.50 (# 583:10 Single Ambig)
&rst
ixpk= 583, nxpk= 10, iat= -1, 290, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1154,1155,1156,1158,1159,1160,1265,1266,
&end
#
# 0 AMB 10-2:584 29 VAL HN 5.50 (# 584:10 Single Ambig)
&rst
ixpk= 584, nxpk= 10, iat= -1, 462, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 432, 433, 432, 433,
&end
#
# 0 AMB 10-2:585 29 VAL HN 5.50 (# 585:10 Single Ambig)
&rst
ixpk= 585, nxpk= 10, iat= -1, 462, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 519, 520, 413,
&end
#
# 26 LEU HA 29 VAL HN 4.50 (# 586:10 Unique 3.07, 3.39 A)
&rst
ixpk= 586, nxpk= 10, iat= 408, 462, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:587 29 VAL HN 5.50 (# 587:10 Single Ambig)
&rst
ixpk= 587, nxpk= 10, iat= -1, 462, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 375, 427,
&end
#
# 53 GLN HN 54 SER HN 4.50 (# 588:10 Unique 2.19, 2.45 A)
&rst
ixpk= 588, nxpk= 10, iat= 837, 854, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 55 GLY HN 54 SER HN 5.50 (# 589:10 Unique 2.71, 2.81 A)
&rst
ixpk= 589, nxpk= 10, iat= 865, 854, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:591 54 SER HN 4.50 (# 591:10 Single Ambig)
&rst
ixpk= 591, nxpk= 10, iat= -1, 854, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 858, 859, 856,
&end
#
# 54 SER HB- 54 SER HN 5.50 (# 592:10 Unique 2.10, 2.91 A)
&rst
ixpk= 592, nxpk= 10, iat= -1, 854, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 858, 859,
&end
#
# 53 GLN HB+ 54 SER HN 5.50 (# 593:10 Unique 2.16, 3.28 A)
&rst
ixpk= 593, nxpk= 10, iat= -1, 854, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 841, 842,
&end
#
# 7 VAL MGX 54 SER HN 5.50 (# 594:10 Unique 2.97, 5.80 A)
&rst
ixpk= 594, nxpk= 10, iat= -1, 854, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 107, 108, 109, 111, 112, 113,
&end
#
# 0 AMB 10-2:595 71 ASN HN 5.50 (# 595:10 Single Ambig)
&rst
ixpk= 595, nxpk= 10, iat= -1,1107, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1099,1100,1099,1100,
&end
#
# 70 GLU HB+ 71 ASN HN 4.50 (# 596:10 Unique 2.90, 3.77 A)
&rst
ixpk= 596, nxpk= 10, iat= -1,1107, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1096,1097,
&end
#
# 0 AMB 10-2:597 71 ASN HN 4.50 (# 597:10 Single Ambig)
&rst
ixpk= 597, nxpk= 10, iat= -1,1107, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 909, 910,1096,1097,
&end
#
# 58 LYS HD- 71 ASN HN 4.50 (# 598:10 Unique 2.43, 3.88 A)
&rst
ixpk= 598, nxpk= 10, iat= -1,1107, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 909, 910,
&end
#
# 0 AMB 10-2:599 71 ASN HN 5.50 (# 599:10 Single Ambig)
&rst
ixpk= 599, nxpk= 10, iat= -1,1107, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088, 740, 741, 742, 744, 745, 746,
&end
#
# 9 VAL MGX 13 TYR HN 5.50 (# 600:10 Unique 3.30, 5.89 A)
&rst
ixpk= 600, nxpk= 10, iat= -1, 203, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 147, 148, 149, 151, 152, 153,
&end
#
# 12 GLN HA 13 TYR HN 5.50 (# 601:10 Unique 3.38, 3.43 A)
&rst
ixpk= 601, nxpk= 10, iat= 188, 203, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 10 PRO HA 13 TYR HN 5.50 (# 602:10 Unique 2.97, 3.27 A)
&rst
ixpk= 602, nxpk= 10, iat= 167, 203, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 66 TYR HE 66 TYR HN 5.50 (# 603:10 Unique 4.15, 5.29 A)
&rst
ixpk= 603, nxpk= 10, iat= -1,1024, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1034,1039,
&end
#
# 65 GLY HA+ 66 TYR HN 5.50 (# 604:10 Unique 2.68, 3.24 A)
&rst
ixpk= 604, nxpk= 10, iat= -1,1024, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1019,1020,
&end
#
# 0 AMB 10-2:605 66 TYR HN 5.50 (# 605:10 Single Ambig)
&rst
ixpk= 605, nxpk= 10, iat= -1,1024, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 978, 979, 978, 979, 957,1047,
&end
#
# 65 GLY HA- 66 TYR HN 4.50 (# 606:10 Unique 2.68, 3.24 A)
&rst
ixpk= 606, nxpk= 10, iat= -1,1024, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1019,1020,
&end
#
# 0 AMB 10-2:607 66 TYR HN 5.50 (# 607:10 Single Ambig)
&rst
ixpk= 607, nxpk= 10, iat= -1,1024, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 638, 639, 959, 960,
&end
#
# 0 AMB 10-2:608 66 TYR HN 5.50 (# 608:10 Single Ambig)
&rst
ixpk= 608, nxpk= 10, iat= -1,1024, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
&end
#
# 61 LEU MDY 60 ILE HN 5.50 (# 609:10 Unique 4.68, 6.72 A)
&rst
ixpk= 609, nxpk= 10, iat= -1, 936, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 964, 965, 966, 968, 969, 970,
&end
#
# 0 AMB 10-2:610 60 ILE HN 5.50 (# 610:10 Single Ambig)
&rst
ixpk= 610, nxpk= 10, iat= -1, 936, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 893, 894, 895, 909, 910,
&end
#
# 0 AMB 10-2:611 60 ILE HN 4.50 (# 611:10 Single Ambig)
&rst
ixpk= 611, nxpk= 10, iat= -1, 936, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 923, 957,
&end
#
# 79 ALA HN 80 MET HN 5.50 (# 612:10 Unique 2.68, 3.28 A)
&rst
ixpk= 612, nxpk= 10, iat=1217,1227, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 81 PRO HD+ 80 MET HN 5.50 (# 613:10 Unique 4.77, 4.88 A)
&rst
ixpk= 613, nxpk= 10, iat= -1,1227, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1245,1246,
&end
#
# 82 LYS HE- 80 MET HN 5.50 (# 614:10 Unique 3.06, 4.17 A)
&rst
ixpk= 614, nxpk= 10, iat= -1,1227, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1271,1272,
&end
#
# 80 MET HG- 80 MET HN 4.50 (# 615:10 Unique 3.68, 4.07 A)
&rst
ixpk= 615, nxpk= 10, iat= -1,1227, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1234,1235,
&end
#
# 18 VAL MGY 80 MET HN 5.50 (# 616:10 Unique 4.91, 6.81 A)
&rst
ixpk= 616, nxpk= 10, iat= -1,1227, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 296, 297, 298, 300, 301, 302,
&end
#
# 0 AMB 10-2:620 59 GLU HN 5.50 (# 620:10 Single Ambig)
&rst
ixpk= 620, nxpk= 10, iat= -1, 921, r1= 0.00, r2= 1.80, r3= 9.14, r4= 9.89,
igr1= 949, 950, 951,1082,1083,1084,1086,1087,1088,1082,
1083,1084,1086,1087,1088, 415, 416, 417, 419, 420,
421,
&end
#
# 58 LYS HG+ 59 GLU HN 5.50 (# 621:10 Unique 3.61, 4.53 A)
&rst
ixpk= 621, nxpk= 10, iat= -1, 921, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 906, 907,
&end
#
# 0 AMB 10-2:622 59 GLU HN 5.50 (# 622:10 Single Ambig)
&rst
ixpk= 622, nxpk= 10, iat= -1, 921, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 906, 907, 959, 960,
&end
#
# 0 AMB 10-2:623 59 GLU HN 4.50 (# 623:10 Single Ambig)
&rst
ixpk= 623, nxpk= 10, iat= -1, 921, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 946, 947, 940, 959, 960,
&end
#
# 0 AMB 10-2:624 59 GLU HN 4.50 (# 624:10 Single Ambig)
&rst
ixpk= 624, nxpk= 10, iat= -1, 921, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 901, 891,
&end
#
# 56 GLN HA 59 GLU HN 4.50 (# 625:10 Unique 3.42, 3.66 A)
&rst
ixpk= 625, nxpk= 10, iat= 874, 921, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:626 2 GLU HN 5.50 (# 626:10 Single Ambig)
&rst
ixpk= 626, nxpk= 10, iat= -1, 14, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 21, 22, 21, 22,
&end
#
# 18 VAL HA 83 VAL HN 5.50 (# 627:10 Unique 3.08, 3.81 A)
&rst
ixpk= 627, nxpk= 10, iat= 292,1280, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 83 VAL MGY 83 VAL HN 4.50 (# 628:10 Unique 1.95, 4.05 A)
&rst
ixpk= 628, nxpk= 10, iat= -1,1280, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1286,1287,1288,1290,1291,1292,
&end
#
# 82 LYS HG- 83 VAL HN 5.50 (# 629:10 Unique 2.82, 4.19 A)
&rst
ixpk= 629, nxpk= 10, iat= -1,1280, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1265,1266,
&end
#
# 16 GLU HG+ 83 VAL HN 5.50 (# 630:10 Unique 2.65, 4.20 A)
&rst
ixpk= 630, nxpk= 10, iat= -1,1280, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 265, 266,
&end
#
# 0 AMB 10-2:631 61 LEU HN 5.50 (# 631:10 Single Ambig)
&rst
ixpk= 631, nxpk= 10, iat= -1, 955, r1= 0.00, r2= 1.80, r3= 8.20, r4= 8.95,
igr1=1011,1012,1013, 925, 926, 925, 926, 989, 990, 989,
990,
&end
#
# 60 ILE HA 61 LEU HN 4.50 (# 632:10 Unique 3.51, 3.55 A)
&rst
ixpk= 632, nxpk= 10, iat= 938, 955, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:633 61 LEU HN 4.50 (# 633:10 Single Ambig)
&rst
ixpk= 633, nxpk= 10, iat= -1, 955, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 891, 901,
&end
#
# 47 TYR HB- 47 TYR HN 5.50 (# 635:10 Unique 2.87, 3.44 A)
&rst
ixpk= 635, nxpk= 10, iat= -1, 750, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 754, 755,
&end
#
# 47 TYR HD 47 TYR HN 5.50 (# 636:10 Unique 1.95, 3.54 A)
&rst
ixpk= 636, nxpk= 10, iat= -1, 750, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 758, 767,
&end
#
# 0 AMB 10-2:637 47 TYR HN 5.50 (# 637:10 Single Ambig)
&rst
ixpk= 637, nxpk= 10, iat= -1, 750, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 70,1121,
&end
#
# 7 VAL HN 47 TYR HN 5.50 (# 638:10 Unique 2.53, 3.27 A)
&rst
ixpk= 638, nxpk= 10, iat= 101, 750, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 12 GLN HN 14 GLN HN 5.50 (# 639:10 Unique 3.93, 4.32 A)
&rst
ixpk= 639, nxpk= 10, iat= 186, 224, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:640 14 GLN HN 4.50 (# 640:10 Single Ambig)
&rst
ixpk= 640, nxpk= 10, iat= -1, 224, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 211, 220, 236, 237,
&end
#
# 10 PRO HA 14 GLN HN 5.50 (# 641:10 Unique 3.94, 4.74 A)
&rst
ixpk= 641, nxpk= 10, iat= 167, 224, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:642 14 GLN HN 4.50 (# 642:10 Single Ambig)
&rst
ixpk= 642, nxpk= 10, iat= -1, 224, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 205, 173,
&end
#
# 13 TYR HB- 14 GLN HN 4.50 (# 643:10 Unique 2.18, 3.41 A)
&rst
ixpk= 643, nxpk= 10, iat= -1, 224, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 207, 208,
&end
#
# 37 VAL HA 39 ASP HN 4.50 (# 644:10 Unique 3.09, 3.16 A)
&rst
ixpk= 644, nxpk= 10, iat= 594, 622, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 38 PRO HA 39 ASP HN 5.50 (# 645:10 Unique 3.39, 3.44 A)
&rst
ixpk= 645, nxpk= 10, iat= 618, 622, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 49 ASN HB+ 49 ASN HD2+ 5.50 (# 646:10 Unique 2.11, 3.25 A)
&rst
ixpk= 646, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 786, 787,
igr2= 791, 792,
&end
#
# 49 ASN HB- 49 ASN HD2- 5.50 (# 647:10 Unique 2.11, 3.25 A)
&rst
ixpk= 647, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 786, 787,
igr2= 791, 792,
&end
#
# 0 AMB 10-2:648 49 ASN HD2- 4.50 (# 648:10 Single Ambig)
&rst
ixpk= 648, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 127, 128, 786, 787,
igr2= 791, 792,
&end
#
# 8 ARG HD+ 49 ASN HD2- 4.50 (# 649:10 Unique 2.09, 5.42 A)
&rst
ixpk= 649, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 127, 128,
igr2= 791, 792,
&end
#
# 0 AMB 10-2:651 30 LYS HN 5.50 (# 651:10 Single Ambig)
&rst
ixpk= 651, nxpk= 10, iat= -1, 478, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 485, 486, 410, 411,
&end
#
# 29 VAL HA 30 LYS HN 5.50 (# 652:10 Unique 3.34, 3.45 A)
&rst
ixpk= 652, nxpk= 10, iat= 464, 478, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:655 48 CYS HN 5.50 (# 655:10 Single Ambig)
&rst
ixpk= 655, nxpk= 10, iat= -1, 771, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1154,1155,1156,1158,1159,1160, 107, 108, 109, 111,
112, 113,
&end
#
# 0 AMB 10-2:656 48 CYS HN 5.50 (# 656:10 Single Ambig)
&rst
ixpk= 656, nxpk= 10, iat= -1, 771, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1152,1125,1126,1127,
&end
#
# 0 AMB 10-2:657 48 CYS HN 5.50 (# 657:10 Single Ambig)
&rst
ixpk= 657, nxpk= 10, iat= -1, 771, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 124, 125, 738,
&end
#
# 48 CYS HB- 48 CYS HN 5.50 (# 658:10 Unique 2.51, 3.54 A)
&rst
ixpk= 658, nxpk= 10, iat= -1, 771, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 775, 776,
&end
#
# 54 SER HB- 48 CYS HN 4.50 (# 659:10 Unique 3.13, 4.09 A)
&rst
ixpk= 659, nxpk= 10, iat= -1, 771, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 858, 859,
&end
#
# 54 SER HB+ 48 CYS HN 4.50 (# 660:10 Unique 3.13, 4.09 A)
&rst
ixpk= 660, nxpk= 10, iat= -1, 771, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 858, 859,
&end
#
# 74 GLY HA+ 48 CYS HN 4.50 (# 661:10 Unique 1.95, 3.88 A)
&rst
ixpk= 661, nxpk= 10, iat= -1, 771, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1140,1141,
&end
#
# 47 TYR HD 48 CYS HN 5.50 (# 662:10 Unique 2.84, 4.65 A)
&rst
ixpk= 662, nxpk= 10, iat= -1, 771, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 758, 767,
&end
#
# 0 AMB 10-2:664 7 VAL HN 5.50 (# 664:10 Single Ambig)
&rst
ixpk= 664, nxpk= 10, iat= -1, 101, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 738, 74, 124, 125,
&end
#
# 7 VAL HB 7 VAL HN 5.50 (# 665:10 Unique 3.60, 3.61 A)
&rst
ixpk= 665, nxpk= 10, iat= 105, 101, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 6 ASP HB- 7 VAL HN 5.50 (# 666:10 Unique 4.05, 4.47 A)
&rst
ixpk= 666, nxpk= 10, iat= -1, 101, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 93, 94,
&end
#
# 0 AMB 10-2:667 7 VAL HN 5.50 (# 667:10 Single Ambig)
&rst
ixpk= 667, nxpk= 10, iat= -1, 101, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 93, 94, 775, 776,
&end
#
# 7 VAL HA 7 VAL HN 4.50 (# 669:10 Unique 2.77, 2.81 A)
&rst
ixpk= 669, nxpk= 10, iat= 103, 101, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 47 TYR HN 7 VAL HN 5.50 (# 670:10 Unique 2.53, 3.27 A)
&rst
ixpk= 670, nxpk= 10, iat= 750, 101, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 9 VAL HB 12 GLN HN 4.50 (# 671:10 Unique 3.27, 3.52 A)
&rst
ixpk= 671, nxpk= 10, iat= 145, 186, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 13 TYR HB+ 12 GLN HN 5.50 (# 672:10 Unique 4.36, 4.63 A)
&rst
ixpk= 672, nxpk= 10, iat= -1, 186, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 207, 208,
&end
#
# 9 VAL MGY 12 GLN HN 5.50 (# 673:10 Unique 1.94, 4.27 A)
&rst
ixpk= 673, nxpk= 10, iat= -1, 186, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 147, 148, 149, 151, 152, 153,
&end
#
# 0 AMB 10-2:674 12 GLN HN 5.50 (# 674:10 Single Ambig)
&rst
ixpk= 674, nxpk= 10, iat= -1, 186, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 173, 205,
&end
#
# 0 AMB 10-2:678 62 SER HN 5.50 (# 678:10 Single Ambig)
&rst
ixpk= 678, nxpk= 10, iat= -1, 974, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 989, 990, 989, 990, 925, 926, 925, 926,
&end
#
# 0 AMB 10-2:679 62 SER HN 5.50 (# 679:10 Single Ambig)
&rst
ixpk= 679, nxpk= 10, iat= -1, 974, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1028,1029, 928, 929,
&end
#
# 61 LEU MDY 62 SER HN 5.50 (# 680:10 Unique 4.08, 5.73 A)
&rst
ixpk= 680, nxpk= 10, iat= -1, 974, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 964, 965, 966, 968, 969, 970,
&end
#
# 84 LYS HN 85 GLY HN 5.50 (# 681:10 Unique 4.37, 4.56 A)
&rst
ixpk= 681, nxpk= 10, iat=1296,1318, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 15 GLN HA 85 GLY HN 4.50 (# 682:10 Unique 2.65, 3.27 A)
&rst
ixpk= 682, nxpk= 10, iat= 243,1318, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 16 GLU HA 85 GLY HN 5.50 (# 683:10 Unique 2.98, 3.86 A)
&rst
ixpk= 683, nxpk= 10, iat= 260,1318, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:684 85 GLY HN 5.50 (# 684:10 Single Ambig)
&rst
ixpk= 684, nxpk= 10, iat= -1,1318, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 262, 263, 245, 246, 245, 246,
&end
#
# 84 LYS HB- 85 GLY HN 4.50 (# 685:10 Unique 1.95, 3.20 A)
&rst
ixpk= 685, nxpk= 10, iat= -1,1318, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1300,1301,
&end
#
# 0 AMB 10-2:686 85 GLY HN 4.50 (# 686:10 Single Ambig)
&rst
ixpk= 686, nxpk= 10, iat= -1,1318, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1303,1304,1303,1304,
&end
#
# 12 GLN HA 15 GLN HN 4.50 (# 687:10 Unique 2.93, 3.79 A)
&rst
ixpk= 687, nxpk= 10, iat= 188, 241, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 14 GLN HA 15 GLN HN 4.50 (# 688:10 Unique 2.75, 3.17 A)
&rst
ixpk= 688, nxpk= 10, iat= 226, 241, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 15 GLN HG- 15 GLN HN 4.50 (# 689:10 Unique 2.38, 3.75 A)
&rst
ixpk= 689, nxpk= 10, iat= -1, 241, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 248, 249,
&end
#
# 0 AMB 10-2:690 15 GLN HN 2.80 (# 690:10 Single Ambig)
&rst
ixpk= 690, nxpk= 10, iat= -1, 241, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 245, 246, 245, 246,
&end
#
# 0 AMB 10-2:691 28 GLU HN 4.50 (# 691:10 Single Ambig)
&rst
ixpk= 691, nxpk= 10, iat= -1, 447, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 427, 375,
&end
#
# 26 LEU HA 28 GLU HN 5.50 (# 692:10 Unique 3.34, 4.12 A)
&rst
ixpk= 692, nxpk= 10, iat= 408, 447, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 29 VAL HA 28 GLU HN 5.50 (# 693:10 Unique 4.43, 4.76 A)
&rst
ixpk= 693, nxpk= 10, iat= 464, 447, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 25 PRO HB- 28 GLU HN 4.50 (# 694:10 Unique 3.11, 4.72 A)
&rst
ixpk= 694, nxpk= 10, iat= -1, 447, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 399, 400,
&end
#
# 0 AMB 10-2:695 28 GLU HN 4.50 (# 695:10 Single Ambig)
&rst
ixpk= 695, nxpk= 10, iat= -1, 447, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 468, 469, 470, 472, 473, 474, 415, 416, 417, 419,
420, 421,
&end
#
# 24 ILE QG2 28 GLU HN 5.50 (# 696:10 Unique 3.57, 4.98 A)
&rst
ixpk= 696, nxpk= 10, iat= -1, 447, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 379, 380, 381,
&end
#
# 44 VAL HN 43 THR HN 5.50 (# 697:10 Unique 4.20, 4.47 A)
&rst
ixpk= 697, nxpk= 10, iat= 696, 682, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 3 HIS HD2 43 THR HN 5.50 (# 698:10 Unique 3.92, 4.92 A)
&rst
ixpk= 698, nxpk= 10, iat= 42, 682, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:700 43 THR HN 5.50 (# 700:10 Single Ambig)
&rst
ixpk= 700, nxpk= 10, iat= -1, 682, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 18, 19, 18, 19,
&end
#
# 43 THR MG2 43 THR HN 4.50 (# 701:10 Unique 4.39, 4.58 A)
&rst
ixpk= 701, nxpk= 10, iat= -1, 682, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 688, 689, 690,
&end
#
# 44 VAL MGY 43 THR HN 5.50 (# 702:10 Unique 4.79, 6.92 A)
&rst
ixpk= 702, nxpk= 10, iat= -1, 682, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 702, 703, 704, 706, 707, 708,
&end
#
# 76 LYS HA 77 ASP HN 4.50 (# 703:10 Unique 2.39, 3.18 A)
&rst
ixpk= 703, nxpk= 10, iat=1166,1186, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 41 ASN HD2- 41 ASN HN 5.50 (# 704:10 Unique 4.20, 5.12 A)
&rst
ixpk= 704, nxpk= 10, iat= -1, 656, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 665, 666,
&end
#
# 39 ASP HA 41 ASN HN 4.50 (# 705:10 Unique 3.43, 4.02 A)
&rst
ixpk= 705, nxpk= 10, iat= 624, 656, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 40 LYS HA 41 ASN HN 4.50 (# 707:10 Unique 2.74, 3.10 A)
&rst
ixpk= 707, nxpk= 10, iat= 636, 656, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 39 ASP HB- 41 ASN HN 5.50 (# 708:10 Unique 2.22, 3.26 A)
&rst
ixpk= 708, nxpk= 10, iat= -1, 656, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 626, 627,
&end
#
# 40 LYS HB+ 41 ASN HN 5.50 (# 709:10 Unique 2.81, 4.00 A)
&rst
ixpk= 709, nxpk= 10, iat= -1, 656, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 638, 639,
&end
#
# 40 LYS HB- 41 ASN HN 4.50 (# 710:10 Unique 2.81, 4.00 A)
&rst
ixpk= 710, nxpk= 10, iat= -1, 656, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 638, 639,
&end
#
# 0 AMB 10-2:711 41 ASN HN 5.50 (# 711:10 Single Ambig)
&rst
ixpk= 711, nxpk= 10, iat= -1, 656, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 641, 642, 644, 645,
&end
#
# 72 ALA HN 46 VAL HN 4.50 (# 712:10 Unique 2.00, 3.12 A)
&rst
ixpk= 712, nxpk= 10, iat=1121, 734, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 70 GLU HN 46 VAL HN 5.50 (# 713:10 Unique 3.97, 4.74 A)
&rst
ixpk= 713, nxpk= 10, iat=1092, 734, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:714 46 VAL HN 4.50 (# 714:10 Single Ambig)
&rst
ixpk= 714, nxpk= 10, iat= -1, 734, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 738,1096,1097, 74,
&end
#
# 72 ALA MB 46 VAL HN 5.50 (# 715:10 Unique 2.30, 4.17 A)
&rst
ixpk= 715, nxpk= 10, iat= -1, 734, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1125,1126,1127,
&end
#
# 45 LYS HB- 46 VAL HN 4.50 (# 716:10 Unique 2.66, 3.94 A)
&rst
ixpk= 716, nxpk= 10, iat= -1, 734, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 716, 717,
&end
#
# 0 AMB 10-2:717 46 VAL HN 5.50 (# 717:10 Single Ambig)
&rst
ixpk= 717, nxpk= 10, iat= -1, 734, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 719, 720, 716, 717,
&end
#
# 45 LYS HG+ 46 VAL HN 4.50 (# 718:10 Unique 2.53, 4.69 A)
&rst
ixpk= 718, nxpk= 10, iat= -1, 734, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 719, 720,
&end
#
# 46 VAL MGY 46 VAL HN 4.50 (# 719:10 Unique 1.95, 3.32 A)
&rst
ixpk= 719, nxpk= 10, iat= -1, 734, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 740, 741, 742, 744, 745, 746,
&end
#
# 63 GLU HN 64 MET HN 4.50 (# 720:10 Unique 2.58, 2.65 A)
&rst
ixpk= 720, nxpk= 10, iat= 985,1000, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 62 SER HN 64 MET HN 5.50 (# 721:10 Unique 3.68, 3.91 A)
&rst
ixpk= 721, nxpk= 10, iat= 974,1000, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 62 SER HA 64 MET HN 5.50 (# 722:10 Unique 4.03, 4.19 A)
&rst
ixpk= 722, nxpk= 10, iat= 976,1000, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 15 GLN HA 16 GLU HN 4.50 (# 723:10 Unique 2.25, 3.14 A)
&rst
ixpk= 723, nxpk= 10, iat= 243, 258, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:724 16 GLU HN 5.50 (# 724:10 Single Ambig)
&rst
ixpk= 724, nxpk= 10, iat= -1, 258, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 273,1296,
&end
#
# 15 GLN HG+ 16 GLU HN 5.50 (# 725:10 Unique 2.09, 4.86 A)
&rst
ixpk= 725, nxpk= 10, iat= -1, 258, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 248, 249,
&end
#
# 15 GLN HG- 16 GLU HN 5.50 (# 726:10 Unique 2.09, 4.86 A)
&rst
ixpk= 726, nxpk= 10, iat= -1, 258, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 248, 249,
&end
#
# 75 LEU HN 76 LYS HN 4.50 (# 727:10 Unique 1.90, 2.76 A)
&rst
ixpk= 727, nxpk= 10, iat=1145,1164, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 74 GLY HA+ 76 LYS HN 5.50 (# 728:10 Unique 3.11, 4.06 A)
&rst
ixpk= 728, nxpk= 10, iat= -1,1164, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1140,1141,
&end
#
# 75 LEU HA 76 LYS HN 5.50 (# 729:10 Unique 2.26, 3.20 A)
&rst
ixpk= 729, nxpk= 10, iat=1147,1164, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:730 76 LYS HN 5.50 (# 730:10 Single Ambig)
&rst
ixpk= 730, nxpk= 10, iat= -1,1164, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1208,1209,1154,1155,1156,1158,1159,1160,
&end
#
# 83 VAL MGX 17 HIS HN 5.50 (# 731:10 Unique 2.41, 5.43 A)
&rst
ixpk= 731, nxpk= 10, iat= -1, 273, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1286,1287,1288,1290,1291,1292,
&end
#
# 0 AMB 10-2:732 17 HIS HN 5.50 (# 732:10 Single Ambig)
&rst
ixpk= 732, nxpk= 10, iat= -1, 273, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1286,1287,1288,1290,1291,1292,1154,1155,1156,1158,
1159,1160,
&end
#
# 0 AMB 10-2:735 17 HIS HN 5.50 (# 735:10 Single Ambig)
&rst
ixpk= 735, nxpk= 10, iat= -1, 273, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1265,1266,1154,1155,1156,1158,1159,1160,
&end
#
# 16 GLU HB+ 17 HIS HN 5.50 (# 736:10 Unique 2.44, 4.12 A)
&rst
ixpk= 736, nxpk= 10, iat= -1, 273, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 262, 263,
&end
#
# 17 HIS HB+ 17 HIS HN 5.50 (# 737:10 Unique 3.03, 3.57 A)
&rst
ixpk= 737, nxpk= 10, iat= -1, 273, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 277, 278,
&end
#
# 84 LYS HA 17 HIS HN 5.50 (# 738:10 Unique 3.37, 3.83 A)
&rst
ixpk= 738, nxpk= 10, iat=1298, 273, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 16 GLU HN 17 HIS HN 5.50 (# 739:10 Unique 3.23, 3.82 A)
&rst
ixpk= 739, nxpk= 10, iat= 258, 273, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 41 ASN HN 41 ASN HD2+ 5.50 (# 740:10 Unique 4.20, 5.12 A)
&rst
ixpk= 740, nxpk= 10, iat= 656, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 665, 666,
&end
#
# 41 ASN HA 41 ASN HD2+ 5.50 (# 741:10 Unique 2.17, 4.04 A)
&rst
ixpk= 741, nxpk= 10, iat= 658, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 665, 666,
&end
#
# 41 ASN HB+ 41 ASN HD2- 5.50 (# 742:10 Unique 2.12, 3.30 A)
&rst
ixpk= 742, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 660, 661,
igr2= 665, 666,
&end
#
# 20 GLY HA+ 20 GLY HN 5.50 (# 743:10 Unique 2.30, 2.68 A)
&rst
ixpk= 743, nxpk= 10, iat= -1, 323, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 325, 326,
&end
#
# 0 AMB 10-2:744 31 GLU HN 5.50 (# 744:10 Single Ambig)
&rst
ixpk= 744, nxpk= 10, iat= -1, 500, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 379, 380, 381, 386, 387, 388,
&end
#
# 29 VAL HA 31 GLU HN 5.50 (# 745:10 Unique 4.18, 4.34 A)
&rst
ixpk= 745, nxpk= 10, iat= 464, 500, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 30 LYS HA 31 GLU HN 4.50 (# 746:10 Unique 3.50, 3.54 A)
&rst
ixpk= 746, nxpk= 10, iat= 480, 500, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 28 GLU HA 31 GLU HN 4.50 (# 747:10 Unique 3.20, 3.39 A)
&rst
ixpk= 747, nxpk= 10, iat= 449, 500, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 10 PRO HA 11 GLU HN 5.50 (# 749:10 Unique 3.41, 3.48 A)
&rst
ixpk= 749, nxpk= 10, iat= 167, 171, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 9 VAL HA 11 GLU HN 5.50 (# 750:10 Unique 3.91, 4.09 A)
&rst
ixpk= 750, nxpk= 10, iat= 143, 171, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 9 VAL HB 11 GLU HN 4.50 (# 751:10 Unique 2.30, 2.51 A)
&rst
ixpk= 751, nxpk= 10, iat= 145, 171, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 36 ALA HA 37 VAL HN 4.50 (# 752:10 Unique 3.45, 3.53 A)
&rst
ixpk= 752, nxpk= 10, iat= 584, 592, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 38 PRO HD+ 37 VAL HN 5.50 (# 753:10 Unique 2.75, 3.40 A)
&rst
ixpk= 753, nxpk= 10, iat= -1, 592, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 609, 610,
&end
#
# 33 ILE HA 37 VAL HN 5.50 (# 754:10 Unique 2.90, 3.22 A)
&rst
ixpk= 754, nxpk= 10, iat= 541, 592, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 38 PRO HD- 37 VAL HN 4.50 (# 755:10 Unique 2.75, 3.40 A)
&rst
ixpk= 755, nxpk= 10, iat= -1, 592, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 609, 610,
&end
#
# 33 ILE HG1+ 37 VAL HN 4.50 (# 756:10 Unique 2.43, 4.01 A)
&rst
ixpk= 756, nxpk= 10, iat= -1, 592, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 549, 550,
&end
#
# 33 ILE QD1 37 VAL HN 4.50 (# 757:10 Unique 3.10, 4.92 A)
&rst
ixpk= 757, nxpk= 10, iat= -1, 592, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 552, 553, 554,
&end
#
# 0 AMB 10-2:758 32 ARG HN 5.50 (# 758:10 Single Ambig)
&rst
ixpk= 758, nxpk= 10, iat= -1, 515, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 379, 380, 381, 386, 387, 388,
&end
#
# 29 VAL MGX 32 ARG HN 5.50 (# 759:10 Unique 4.18, 5.77 A)
&rst
ixpk= 759, nxpk= 10, iat= -1, 515, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 468, 469, 470, 472, 473, 474,
&end
#
# 33 ILE QG2 32 ARG HN 5.50 (# 760:10 Unique 3.42, 4.66 A)
&rst
ixpk= 760, nxpk= 10, iat= -1, 515, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 545, 546, 547,
&end
#
# 0 AMB 10-2:761 32 ARG HN 5.50 (# 761:10 Single Ambig)
&rst
ixpk= 761, nxpk= 10, iat= -1, 515, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
igr1= 507, 508, 507, 508,1011,1012,1013,
&end
#
# 0 AMB 10-2:762 32 ARG HN 5.50 (# 762:10 Single Ambig)
&rst
ixpk= 762, nxpk= 10, iat= -1, 515, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 525, 526, 525, 526,
&end
#
# 29 VAL HA 32 ARG HN 4.50 (# 763:10 Unique 2.99, 3.31 A)
&rst
ixpk= 763, nxpk= 10, iat= 464, 515, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 31 GLU HA 32 ARG HN 4.50 (# 764:10 Unique 3.19, 3.26 A)
&rst
ixpk= 764, nxpk= 10, iat= 502, 515, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 26 LEU HN 27 LYS HN 4.50 (# 765:10 Unique 2.56, 3.07 A)
&rst
ixpk= 765, nxpk= 10, iat= 406, 425, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 29 VAL HN 27 LYS HN 5.50 (# 766:10 Unique 3.48, 3.81 A)
&rst
ixpk= 766, nxpk= 10, iat= 462, 425, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 26 LEU HA 27 LYS HN 5.50 (# 768:10 Unique 3.28, 3.44 A)
&rst
ixpk= 768, nxpk= 10, iat= 408, 425, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 25 PRO HB+ 27 LYS HN 5.50 (# 769:10 Unique 2.11, 3.62 A)
&rst
ixpk= 769, nxpk= 10, iat= -1, 425, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 399, 400,
&end
#
# 0 AMB 10-2:770 27 LYS HN 4.50 (# 770:10 Single Ambig)
&rst
ixpk= 770, nxpk= 10, iat= -1, 425, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 415, 416, 417, 419, 420, 421, 468, 469, 470, 472,
473, 474,
&end
#
# 41 ASN HA 67 THR HN 4.50 (# 772:10 Unique 3.53, 4.30 A)
&rst
ixpk= 772, nxpk= 10, iat= 658,1045, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 66 TYR HB+ 67 THR HN 4.50 (# 773:10 Unique 2.43, 3.66 A)
&rst
ixpk= 773, nxpk= 10, iat= -1,1045, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1028,1029,
&end
#
# 66 TYR HB- 67 THR HN 5.50 (# 774:10 Unique 2.43, 3.66 A)
&rst
ixpk= 774, nxpk= 10, iat= -1,1045, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1028,1029,
&end
#
# 40 LYS HB+ 67 THR HN 4.50 (# 775:10 Unique 2.11, 4.27 A)
&rst
ixpk= 775, nxpk= 10, iat= -1,1045, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 638, 639,
&end
#
# 0 AMB 10-2:776 67 THR HN 5.50 (# 776:10 Single Ambig)
&rst
ixpk= 776, nxpk= 10, iat= -1,1045, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
&end
#
# 40 LYS HB- 67 THR HN 5.50 (# 777:10 Unique 2.11, 4.27 A)
&rst
ixpk= 777, nxpk= 10, iat= -1,1045, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 638, 639,
&end
#
# 53 GLN HG+ 53 GLN HE2+ 5.50 (# 781:10 Unique 2.12, 3.30 A)
&rst
ixpk= 781, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 844, 845,
igr2= 849, 850,
&end
#
# 53 GLN HG- 53 GLN HE2+ 4.50 (# 782:10 Unique 2.12, 3.30 A)
&rst
ixpk= 782, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 844, 845,
igr2= 849, 850,
&end
#
# 0 AMB 10-2:783 0 AMB 10-1:783 5.50 (# 783:10 Double Ambig)
&rst
ixpk= 783, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 841, 842, 124, 125,
igr2= 849, 850, 849, 850,
&end
#
# 26 LEU MDX 53 GLN HE2+ 5.50 (# 784:10 Unique 2.93, 6.42 A)
&rst
ixpk= 784, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 415, 416, 417, 419, 420, 421,
igr2= 849, 850,
&end
#
# 53 GLN HG+ 53 GLN HE2- 5.50 (# 785:10 Unique 2.12, 3.30 A)
&rst
ixpk= 785, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 844, 845,
igr2= 849, 850,
&end
#
# 53 GLN HG- 53 GLN HE2- 5.50 (# 786:10 Unique 2.12, 3.30 A)
&rst
ixpk= 786, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 844, 845,
igr2= 849, 850,
&end
#
# 0 AMB 10-2:787 53 GLN HE2- 5.50 (# 787:10 Single Ambig)
&rst
ixpk= 787, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 841, 842, 124, 125,
igr2= 849, 850,
&end
#
# 9 VAL MGX 53 GLN HE2- 5.50 (# 788:10 Unique 1.96, 4.78 A)
&rst
ixpk= 788, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 147, 148, 149, 151, 152, 153,
igr2= 849, 850,
&end
#
# 15 GLN HG+ 15 GLN HE2+ 4.50 (# 789:10 Unique 2.12, 3.23 A)
&rst
ixpk= 789, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 248, 249,
igr2= 253, 254,
&end
#
# 0 AMB 10-2:790 0 AMB 10-1:790 5.50 (# 790:10 Double Ambig)
&rst
ixpk= 790, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 248, 249, 193, 194,
igr2= 253, 254, 253, 254,
&end
#
# 15 GLN HG+ 15 GLN HE2- 5.50 (# 791:10 Unique 2.12, 3.23 A)
&rst
ixpk= 791, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 248, 249,
igr2= 253, 254,
&end
#
# 0 AMB 10-2:792 15 GLN HE2- 5.50 (# 792:10 Single Ambig)
&rst
ixpk= 792, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 248, 249, 193, 194,
igr2= 253, 254,
&end
#
# 54 SER HB- 55 GLY HN 5.50 (# 793:10 Unique 2.48, 3.66 A)
&rst
ixpk= 793, nxpk= 10, iat= -1, 865, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 858, 859,
&end
#
# 71 ASN HD2+ 55 GLY HN 5.50 (# 796:10 Unique 2.81, 4.09 A)
&rst
ixpk= 796, nxpk= 10, iat= -1, 865, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1116,1117,
&end
#
# 0 AMB 10-2:797 55 GLY HN 5.50 (# 797:10 Single Ambig)
&rst
ixpk= 797, nxpk= 10, iat= -1, 865, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 889, 899,
&end
#
# 60 ILE HG1+ 56 GLN HE2- 5.50 (# 798:10 Unique 2.37, 4.36 A)
&rst
ixpk= 798, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 946, 947,
igr2= 884, 885,
&end
#
# 0 AMB 10-2:799 0 AMB 10-1:799 4.50 (# 799:10 Double Ambig)
&rst
ixpk= 799, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 147, 148, 149, 151, 152, 153, 946, 947,
igr2= 141, 884, 885,
&end
#
# 0 AMB 10-2:800 56 GLN HE2- 4.50 (# 800:10 Single Ambig)
&rst
ixpk= 800, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 876, 877, 879, 880,
igr2= 884, 885,
&end
#
# 56 GLN HG+ 56 GLN HE2- 5.50 (# 801:10 Unique 2.13, 3.32 A)
&rst
ixpk= 801, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 879, 880,
igr2= 884, 885,
&end
#
# 19 GLN HG- 19 GLN HE2+ 4.50 (# 804:10 Unique 2.36, 3.45 A)
&rst
ixpk= 804, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 313, 314,
igr2= 318, 319,
&end
#
# 19 GLN HG- 19 GLN HE2- 5.50 (# 805:10 Unique 2.36, 3.45 A)
&rst
ixpk= 805, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 313, 314,
igr2= 318, 319,
&end
#
# 83 VAL MGX 19 GLN HE2+ 5.50 (# 806:10 Unique 3.96, 7.70 A)
&rst
ixpk= 806, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1286,1287,1288,1290,1291,1292,
igr2= 318, 319,
&end
#
# 0 AMB 10-2:807 9 VAL HN 4.50 (# 807:10 Single Ambig)
&rst
ixpk= 807, nxpk= 10, iat= -1, 141, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 145, 841, 842,
&end
#
# 51 GLY HA+ 71 ASN HD2- 5.50 (# 809:10 Unique 4.15, 6.76 A)
&rst
ixpk= 809, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 808, 809,
igr2=1116,1117,
&end
#
# 55 GLY HA+ 71 ASN HD2+ 5.50 (# 810:10 Unique 1.95, 3.78 A)
&rst
ixpk= 810, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 867, 868,
igr2=1116,1117,
&end
#
# 55 GLY HA+ 71 ASN HD2- 4.50 (# 811:10 Unique 1.95, 3.78 A)
&rst
ixpk= 811, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 867, 868,
igr2=1116,1117,
&end
#
# 0 AMB 10-2:812 71 ASN HD2- 4.50 (# 812:10 Single Ambig)
&rst
ixpk= 812, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 858, 859, 867, 868,
igr2=1116,1117,
&end
#
# 0 AMB 10-2:813 0 AMB 10-1:813 4.50 (# 813:10 Double Ambig)
&rst
ixpk= 813, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 858, 859, 867, 868,
igr2=1116,1117,1116,1117,
&end
#
# 71 ASN HB+ 71 ASN HD2- 4.50 (# 814:10 Unique 2.52, 3.49 A)
&rst
ixpk= 814, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1111,1112,
igr2=1116,1117,
&end
#
# 71 ASN HB- 71 ASN HD2- 4.50 (# 815:10 Unique 2.52, 3.49 A)
&rst
ixpk= 815, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1111,1112,
igr2=1116,1117,
&end
#
# 12 GLN HG- 12 GLN HE2- 5.50 (# 816:10 Unique 2.13, 3.27 A)
&rst
ixpk= 816, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 193, 194,
igr2= 198, 199,
&end
#
# 12 GLN HG+ 12 GLN HE2- 5.50 (# 817:10 Unique 2.13, 3.27 A)
&rst
ixpk= 817, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 193, 194,
igr2= 198, 199,
&end
#
# 12 GLN HG+ 12 GLN HE2+ 5.50 (# 818:10 Unique 2.13, 3.27 A)
&rst
ixpk= 818, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 193, 194,
igr2= 198, 199,
&end
#
# 0 AMB 10-2:819 0 AMB 10-1:819 5.50 (# 819:10 Double Ambig)
&rst
ixpk= 819, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 190, 191, 190, 191,
igr2= 198, 199, 198, 199,
&end
#
# 8 ARG HG- 8 ARG HE 5.50 (# 823:10 Unique 2.22, 3.34 A)
&rst
ixpk= 823, nxpk= 10, iat= -1, 130, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 124, 125,
&end
#
# 8 ARG HB- 8 ARG HE 4.50 (# 824:10 Unique 2.01, 3.01 A)
&rst
ixpk= 824, nxpk= 10, iat= -1, 130, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 121, 122,
&end
#
# 8 ARG HB+ 8 ARG HE 5.50 (# 825:10 Unique 2.01, 3.01 A)
&rst
ixpk= 825, nxpk= 10, iat= -1, 130, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 121, 122,
&end
#
# 8 ARG HD- 8 ARG HE 5.50 (# 826:10 Unique 2.28, 2.69 A)
&rst
ixpk= 826, nxpk= 10, iat= -1, 130, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 127, 128,
&end
#
# 8 ARG HD+ 8 ARG HE 5.50 (# 827:10 Unique 2.28, 2.69 A)
&rst
ixpk= 827, nxpk= 10, iat= -1, 130, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 127, 128,
&end
#
# 77 ASP HB- 74 GLY HN 5.50 (# 828:10 Unique 2.67, 4.29 A)
&rst
ixpk= 828, nxpk= 10, iat= -1,1138, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1190,1191,
&end
#
# 0 AMB 10-2:829 35 THR HN 5.50 (# 829:10 Single Ambig)
&rst
ixpk= 829, nxpk= 10, iat= -1, 568, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 386, 387, 388, 379, 380, 381,
&end
#
# 33 ILE QG2 35 THR HN 5.50 (# 830:10 Unique 4.37, 5.32 A)
&rst
ixpk= 830, nxpk= 10, iat= -1, 568, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 545, 546, 547,
&end
#
# 0 AMB 10-2:831 35 THR HN 5.50 (# 831:10 Single Ambig)
&rst
ixpk= 831, nxpk= 10, iat= -1, 568, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 522, 523, 519, 520, 543,
&end
#
# 32 ARG HA 35 THR HN 5.50 (# 832:10 Unique 3.22, 3.51 A)
&rst
ixpk= 832, nxpk= 10, iat= 517, 568, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:834 35 THR HN 4.50 (# 834:10 Single Ambig)
&rst
ixpk= 834, nxpk= 10, iat= -1, 568, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 592, 539,
&end
#
# 36 ALA HN 35 THR HN 3.50 (# 835:10 Unique 1.98, 2.14 A)
&rst
ixpk= 835, nxpk= 10, iat= 582, 568, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 24 ILE HN 23 ASN HD2+ 4.50 (# 836:10 Unique 3.03, 3.95 A)
&rst
ixpk= 836, nxpk= 10, iat= 373, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 368, 369,
&end
#
# 10 PRO HA 23 ASN HD2+ 5.50 (# 838:10 Unique 3.10, 4.08 A)
&rst
ixpk= 838, nxpk= 10, iat= 167, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 368, 369,
&end
#
# 0 AMB 10-2:839 0 AMB 10-1:839 5.50 (# 839:10 Double Ambig)
&rst
ixpk= 839, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 402, 91, 226,
igr2= 368, 369, 368, 369, 368, 369,
&end
#
# 13 TYR HB+ 23 ASN HD2+ 5.50 (# 840:10 Unique 2.27, 4.17 A)
&rst
ixpk= 840, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 207, 208,
igr2= 368, 369,
&end
#
# 6 ASP HB+ 23 ASN HD2- 5.50 (# 841:10 Unique 2.78, 5.42 A)
&rst
ixpk= 841, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 93, 94,
igr2= 368, 369,
&end
#
# 13 TYR HB- 23 ASN HD2+ 5.50 (# 842:10 Unique 2.27, 4.17 A)
&rst
ixpk= 842, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 207, 208,
igr2= 368, 369,
&end
#
# 25 PRO HD- 23 ASN HD2+ 5.50 (# 843:10 Unique 2.27, 4.29 A)
&rst
ixpk= 843, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 393, 394,
igr2= 368, 369,
&end
#
# 0 AMB 10-2:844 0 AMB 10-1:844 4.50 (# 844:10 Double Ambig)
&rst
ixpk= 844, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 363, 364, 164, 165,
igr2= 368, 369, 368, 369,
&end
#
# 0 AMB 10-2:845 23 ASN HD2- 5.50 (# 845:10 Single Ambig)
&rst
ixpk= 845, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 363, 364, 396, 397,
igr2= 368, 369,
&end
#
# 23 ASN HB- 23 ASN HD2+ 5.50 (# 846:10 Unique 2.57, 3.51 A)
&rst
ixpk= 846, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 363, 364,
igr2= 368, 369,
&end
#
# 23 ASN HB- 23 ASN HD2- 5.50 (# 847:10 Unique 2.57, 3.51 A)
&rst
ixpk= 847, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 363, 364,
igr2= 368, 369,
&end
#
# 80 MET HN 79 ALA HN 5.50 (# 848:10 Unique 2.68, 3.28 A)
&rst
ixpk= 848, nxpk= 10, iat=1227,1217, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:849 79 ALA HN 5.50 (# 849:10 Single Ambig)
&rst
ixpk= 849, nxpk= 10, iat= -1,1217, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1208,1209,1231,1232,
&end
#
# 72 ALA MB 73 GLY HN 4.50 (# 850:10 Unique 1.97, 3.34 A)
&rst
ixpk= 850, nxpk= 10, iat= -1,1131, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1125,1126,1127,
&end
#
# 54 SER HB+ 73 GLY HN 5.50 (# 851:10 Unique 2.82, 4.14 A)
&rst
ixpk= 851, nxpk= 10, iat= -1,1131, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 858, 859,
&end
#
# 72 ALA HA 73 GLY HN 5.50 (# 852:10 Unique 3.03, 3.50 A)
&rst
ixpk= 852, nxpk= 10, iat=1123,1131, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 71 ASN HA 73 GLY HN 4.50 (# 853:10 Unique 3.35, 4.14 A)
&rst
ixpk= 853, nxpk= 10, iat=1109,1131, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:855 65 GLY HN 5.50 (# 855:10 Single Ambig)
&rst
ixpk= 855, nxpk= 10, iat= -1,1017, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 976,1026,
&end
#
# 63 GLU HA 65 GLY HN 5.50 (# 856:10 Unique 3.62, 3.89 A)
&rst
ixpk= 856, nxpk= 10, iat= 987,1017, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 64 MET HB+ 65 GLY HN 5.50 (# 857:10 Unique 2.64, 3.24 A)
&rst
ixpk= 857, nxpk= 10, iat= -1,1017, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1004,1005,
&end
#
# 64 MET HB- 65 GLY HN 5.50 (# 858:10 Unique 2.64, 3.24 A)
&rst
ixpk= 858, nxpk= 10, iat= -1,1017, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1004,1005,
&end
#
# 0 AMB 10-2:859 71 ASN HD2- 5.50 (# 859:10 Single Ambig)
&rst
ixpk= 859, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1133,1134, 808, 809,
igr2=1116,1117,
&end
#
# 13 TYR HE 13 TYR HD 3.50 (# 7:60 Unique 2.46, 3.69 A)
&rst
ixpk= 7, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
igr1= 213, 218,
igr2= 211, 220,
&end
#
# 13 TYR HB- 13 TYR HD 5.50 (# 8:60 Unique 2.30, 3.06 A)
&rst
ixpk= 8, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 207, 208,
igr2= 211, 220,
&end
#
# 13 TYR HB+ 13 TYR HD 3.50 (# 10:60 Unique 2.30, 3.06 A)
&rst
ixpk= 10, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 207, 208,
igr2= 211, 220,
&end
#
# 0 AMB 60-2:12 66 TYR HD 4.50 (# 12:60 Single Ambig)
&rst
ixpk= 12, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 702, 703, 704, 706, 707, 708,1082,1083,1084,1086,
1087,1088,1082,1083,1084,1086,1087,1088,
igr2=1032,1041,
&end
#
# 66 TYR HB- 66 TYR HD 3.50 (# 13:60 Unique 2.30, 3.05 A)
&rst
ixpk= 13, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1028,1029,
igr2=1032,1041,
&end
#
# 66 TYR HE 66 TYR HD 3.50 (# 14:60 Unique 2.46, 3.69 A)
&rst
ixpk= 14, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1034,1039,
igr2=1032,1041,
&end
#
# 66 TYR HB+ 66 TYR HD 3.50 (# 16:60 Unique 2.30, 3.05 A)
&rst
ixpk= 16, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1028,1029,
igr2=1032,1041,
&end
#
# 66 TYR HN 66 TYR HD 4.50 (# 17:60 Unique 1.94, 3.54 A)
&rst
ixpk= 17, nxpk= 60, iat=1024, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1032,1041,
&end
#
# 4 TRP HB- 4 TRP HD1 4.50 (# 25:60 Unique 2.56, 3.19 A)
&rst
ixpk= 25, nxpk= 60, iat= -1, 54, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 50, 51,
&end
#
# 4 TRP HE1 4 TRP HD1 3.50 (# 26:60 Unique 2.57, 2.57 A)
&rst
ixpk= 26, nxpk= 60, iat= 56, 54, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 4 TRP HN 4 TRP HD1 5.50 (# 27:60 Unique 2.58, 3.20 A)
&rst
ixpk= 27, nxpk= 60, iat= 46, 54, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 4 TRP HZ2 4 TRP HH2 2.80 (# 28:60 Unique 2.46, 2.46 A)
&rst
ixpk= 28, nxpk= 60, iat= 59, 61, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 4 TRP HZ3 4 TRP HH2 3.50 (# 29:60 Unique 2.44, 2.44 A)
&rst
ixpk= 29, nxpk= 60, iat= 63, 61, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 72 ALA MB 4 TRP HH2 4.50 (# 30:60 Unique 2.39, 4.06 A)
&rst
ixpk= 30, nxpk= 60, iat= -1, 61, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1125,1126,1127,
&end
#
# 78 ILE QG2 4 TRP HH2 4.50 (# 31:60 Unique 2.01, 3.60 A)
&rst
ixpk= 31, nxpk= 60, iat= -1, 61, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1204,1205,1206,
&end
#
# 0 AMB 60-2:32 17 HIS HD2 5.50 (# 32:60 Single Ambig)
&rst
ixpk= 32, nxpk= 60, iat= -1, 286, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1280, 330, 283,
&end
#
# 4 TRP HE3 4 TRP HZ3 3.50 (# 34:60 Unique 2.46, 2.46 A)
&rst
ixpk= 34, nxpk= 60, iat= 65, 63, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 4 TRP HH2 4 TRP HZ3 3.50 (# 36:60 Unique 2.44, 2.44 A)
&rst
ixpk= 36, nxpk= 60, iat= 61, 63, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 78 ILE QD1 4 TRP HZ3 3.50 (# 37:60 Unique 2.01, 3.29 A)
&rst
ixpk= 37, nxpk= 60, iat= -1, 63, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1211,1212,1213,
&end
#
# 72 ALA MB 4 TRP HZ3 3.50 (# 38:60 Unique 2.00, 3.09 A)
&rst
ixpk= 38, nxpk= 60, iat= -1, 63, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1125,1126,1127,
&end
#
# 0 AMB 60-2:40 3 HIS HD2 4.50 (# 40:60 Single Ambig)
&rst
ixpk= 40, nxpk= 60, iat= -1, 42, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 29, 39, 14,
&end
#
# 42 ASP HB+ 3 HIS HD2 3.50 (# 41:60 Unique 2.55, 3.15 A)
&rst
ixpk= 41, nxpk= 60, iat= -1, 42, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 674, 675,
&end
#
# 0 AMB 60-2:42 3 HIS HD2 3.50 (# 42:60 Single Ambig)
&rst
ixpk= 42, nxpk= 60, iat= -1, 42, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 674, 675, 33, 34,
&end
#
# 44 VAL MGY 3 HIS HD2 4.50 (# 43:60 Unique 3.01, 5.34 A)
&rst
ixpk= 43, nxpk= 60, iat= -1, 42, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 702, 703, 704, 706, 707, 708,
&end
#
# 33 ILE HG1+ 3 HIS HD2 5.50 (# 44:60 Unique 5.83, 6.30 A)
&rst
ixpk= 44, nxpk= 60, iat= -1, 42, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 549, 550,
&end
#
# 68 HIS HA 68 HIS HD2 5.50 (# 45:60 Unique 3.78, 4.14 A)
&rst
ixpk= 45, nxpk= 60, iat=1061,1072, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 4 TRP HB+ 4 TRP HE3 4.50 (# 51:60 Unique 2.51, 3.41 A)
&rst
ixpk= 51, nxpk= 60, iat= -1, 65, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 50, 51,
&end
#
# 33 ILE QG2 66 TYR HE 3.50 (# 55:60 Unique 2.00, 4.49 A)
&rst
ixpk= 55, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 545, 546, 547,
igr2=1034,1039,
&end
#
# 33 ILE HG1+ 66 TYR HE 2.80 (# 56:60 Unique 2.09, 3.83 A)
&rst
ixpk= 56, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 549, 550,
igr2=1034,1039,
&end
#
# 0 AMB 60-2:57 0 AMB 60-1:57 2.80 (# 57:60 Double Ambig)
&rst
ixpk= 57, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 286,1032,1041,
igr2= 213, 218,1034,1039,
&end
#
# 40 LYS HA 66 TYR HE 4.50 (# 58:60 Unique 2.18, 4.44 A)
&rst
ixpk= 58, nxpk= 60, iat= 636, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1034,1039,
&end
#
# 64 MET ME 66 TYR HE 4.50 (# 59:60 Unique 2.00, 5.02 A)
&rst
ixpk= 59, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1011,1012,1013,
igr2=1034,1039,
&end
#
# 37 VAL HB 66 TYR HE 3.50 (# 60:60 Unique 2.00, 4.14 A)
&rst
ixpk= 60, nxpk= 60, iat= 596, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1034,1039,
&end
#
# 4 TRP HE1 4 TRP HZ2 4.50 (# 61:60 Unique 2.82, 2.82 A)
&rst
ixpk= 61, nxpk= 60, iat= 56, 59, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 4 TRP HH2 4 TRP HZ2 2.80 (# 62:60 Unique 2.46, 2.46 A)
&rst
ixpk= 62, nxpk= 60, iat= 61, 59, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 60-2:63 4 TRP HZ2 5.50 (# 63:60 Single Ambig)
&rst
ixpk= 63, nxpk= 60, iat= -1, 59, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1231,1232, 294,
&end
#
# 0 AMB 60-2:64 4 TRP HZ2 5.50 (# 64:60 Single Ambig)
&rst
ixpk= 64, nxpk= 60, iat= -1, 59, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=1204,1205,1206, 722, 723,
&end
#
# 0 AMB 60-2:74 13 TYR HD 5.50 (# 74:60 Single Ambig)
&rst
ixpk= 74, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 231, 232, 231, 232,
igr2= 211, 220,
&end
#
# 14 GLN HA 13 TYR HD 5.50 (# 75:60 Unique 3.28, 4.98 A)
&rst
ixpk= 75, nxpk= 60, iat= 226, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 211, 220,
&end
#
# 14 GLN HN 13 TYR HD 5.50 (# 77:60 Unique 2.39, 4.63 A)
&rst
ixpk= 77, nxpk= 60, iat= 224, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 211, 220,
&end
#
# 66 TYR HA 66 TYR HD 5.50 (# 79:60 Unique 2.07, 3.46 A)
&rst
ixpk= 79, nxpk= 60, iat=1026, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1032,1041,
&end
#
# 61 LEU HA 66 TYR HD 5.50 (# 80:60 Unique 2.67, 5.32 A)
&rst
ixpk= 80, nxpk= 60, iat= 957, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1032,1041,
&end
#
# 0 AMB 60-2:81 66 TYR HD 5.50 (# 81:60 Single Ambig)
&rst
ixpk= 81, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 959, 960, 644, 645,
igr2=1032,1041,
&end
#
# 61 LEU MDX 66 TYR HD 5.50 (# 82:60 Unique 2.61, 6.43 A)
&rst
ixpk= 82, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 964, 965, 966, 968, 969, 970,
igr2=1032,1041,
&end
#
# 3 HIS HA 4 TRP HD1 5.50 (# 93:60 Unique 3.26, 4.01 A)
&rst
ixpk= 93, nxpk= 60, iat= 31, 54, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 60-2:94 4 TRP HD1 5.50 (# 94:60 Single Ambig)
&rst
ixpk= 94, nxpk= 60, iat= -1, 54, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 21, 22, 21, 22,
&end
#
# 19 GLN HA 17 HIS HD2 5.50 (# 102:60 Unique 3.24, 4.00 A)
&rst
ixpk= 102, nxpk= 60, iat= 308, 286, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 17 HIS HB+ 17 HIS HD2 5.50 (# 103:60 Unique 2.70, 3.31 A)
&rst
ixpk= 103, nxpk= 60, iat= -1, 286, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 277, 278,
&end
#
# 17 HIS HB- 17 HIS HD2 5.50 (# 104:60 Unique 2.70, 3.31 A)
&rst
ixpk= 104, nxpk= 60, iat= -1, 286, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 277, 278,
&end
#
# 21 ALA MB 17 HIS HD2 5.50 (# 105:60 Unique 2.61, 4.89 A)
&rst
ixpk= 105, nxpk= 60, iat= -1, 286, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 334, 335, 336,
&end
#
# 83 VAL MGX 17 HIS HD2 5.50 (# 106:60 Unique 2.04, 5.62 A)
&rst
ixpk= 106, nxpk= 60, iat= -1, 286, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1286,1287,1288,1290,1291,1292,
&end
#
# 0 AMB 60-2:112 4 TRP HZ3 5.50 (# 112:60 Single Ambig)
&rst
ixpk= 112, nxpk= 60, iat= -1, 63, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1208,1209,1154,1155,1156,1158,1159,1160,
&end
#
# 78 ILE QG2 4 TRP HZ3 4.50 (# 113:60 Unique 3.59, 5.01 A)
&rst
ixpk= 113, nxpk= 60, iat= -1, 63, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1204,1205,1206,
&end
#
# 2 GLU HA 3 HIS HD2 5.50 (# 117:60 Unique 4.43, 5.01 A)
&rst
ixpk= 117, nxpk= 60, iat= 16, 42, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 44 VAL HA 3 HIS HD2 5.50 (# 119:60 Unique 3.87, 4.24 A)
&rst
ixpk= 119, nxpk= 60, iat= 698, 42, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 37 VAL MGX 3 HIS HD2 5.50 (# 120:60 Unique 2.00, 2.94 A)
&rst
ixpk= 120, nxpk= 60, iat= -1, 42, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 598, 599, 600, 602, 603, 604,
&end
#
# 68 HIS HB- 68 HIS HD2 5.50 (# 121:60 Unique 2.69, 3.28 A)
&rst
ixpk= 121, nxpk= 60, iat= -1,1072, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1063,1064,
&end
#
# 68 HIS HB+ 68 HIS HD2 5.50 (# 122:60 Unique 2.69, 3.28 A)
&rst
ixpk= 122, nxpk= 60, iat= -1,1072, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1063,1064,
&end
#
# 4 TRP HA 4 TRP HE3 5.50 (# 127:60 Unique 2.58, 3.01 A)
&rst
ixpk= 127, nxpk= 60, iat= 48, 65, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 60-2:128 4 TRP HE3 5.50 (# 128:60 Single Ambig)
&rst
ixpk= 128, nxpk= 60, iat= -1, 65, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 296, 297, 298, 300, 301, 302, 296, 297, 298, 300,
301, 302,
&end
#
# 64 MET HB+ 66 TYR HE 5.50 (# 130:60 Unique 2.57, 5.37 A)
&rst
ixpk= 130, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1004,1005,
igr2=1034,1039,
&end
#
# 0 AMB 60-2:131 66 TYR HE 5.50 (# 131:60 Single Ambig)
&rst
ixpk= 131, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 964, 965, 966, 968, 969, 970, 964, 965, 966, 968,
969, 970,
igr2=1034,1039,
&end
#
# 33 ILE HG1- 66 TYR HE 5.50 (# 132:60 Unique 2.09, 3.83 A)
&rst
ixpk= 132, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 549, 550,
igr2=1034,1039,
&end
#
# 23 ASN HB- 13 TYR HE 5.50 (# 133:60 Unique 2.00, 4.48 A)
&rst
ixpk= 133, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 363, 364,
igr2= 213, 218,
&end
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