NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
632038 |
5zux   |
36186 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
# Restraints file 1: prodis.rst
# DNA Residue numbers are renumbered from 1-36 to 194-229
# ':20' and ':10' represent restraints generated from cnoesy.xpk and nnoesy.xpk, respectively
# 111 ALA MB 110 THR HB 8.00 (# 0:20 Unique 6.14, 6.80 A)
&rst
ixpk= 0, nxpk= 20, iat= -1, 163, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr1= 177, 178, 179,
&end
#
# 0 AMB 20-2:1 0 AMB 20-1:1 2.80 (# 1:20 Double Ambig)
&rst
ixpk= 1, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 165, 166, 167, 34, 35, 36, 48, 49, 50,
igr2= 163, 32, 46,
&end
#
# 0 AMB 20-2:2 104 THR HB 8.00 (# 2:20 Single Ambig)
&rst
ixpk= 2, nxpk= 20, iat= -1, 46, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1= 63, 64, 63, 64, 87, 88, 87, 88,
&end
#
# 127 THR MG2 127 THR HB 4.50 (# 3:20 Unique 2.39, 2.66 A)
&rst
ixpk= 3, nxpk= 20, iat= -1, 426, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 428, 429, 430,
&end
#
# 0 AMB 20-2:4 127 THR HB 6.00 (# 4:20 Single Ambig)
&rst
ixpk= 4, nxpk= 20, iat= -1, 426, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr1= 375, 376, 377, 484, 485, 410, 411,
&end
#
# 140 LEU MDX 127 THR HB 6.00 (# 5:20 Unique 2.70, 4.94 A)
&rst
ixpk= 5, nxpk= 20, iat= -1, 426, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 640, 641, 642, 644, 645, 646,
&end
#
# 0 AMB 20-2:6 127 THR HB 6.00 (# 6:20 Single Ambig)
&rst
ixpk= 6, nxpk= 20, iat= -1, 426, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr1= 445, 446, 447, 449, 450, 451, 638,
&end
#
# 156 THR MG2 156 THR HA 4.50 (# 7:20 Unique 2.19, 2.80 A)
&rst
ixpk= 7, nxpk= 20, iat= -1, 893, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 897, 898, 899,
&end
#
# 157 THR MG2 157 THR HB 3.50 (# 8:20 Unique 2.37, 2.65 A)
&rst
ixpk= 8, nxpk= 20, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 911, 912, 913,
&end
#
# 0 AMB 20-2:9 127 THR HA 6.00 (# 9:20 Single Ambig)
&rst
ixpk= 9, nxpk= 20, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 487, 488, 487, 488,
&end
#
# 0 AMB 20-2:10 127 THR HA 4.50 (# 10:20 Single Ambig)
&rst
ixpk= 10, nxpk= 20, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 481, 482, 481, 482, 459, 460, 459, 460,
&end
#
# 130 ARG HG- 127 THR HA 4.50 (# 11:20 Unique 2.17, 3.37 A)
&rst
ixpk= 11, nxpk= 20, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 484, 485,
&end
#
# 127 THR MG2 127 THR HA 3.50 (# 12:20 Unique 2.31, 3.03 A)
&rst
ixpk= 12, nxpk= 20, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 428, 429, 430,
&end
#
# 0 AMB 20-2:13 127 THR HA 6.00 (# 13:20 Single Ambig)
&rst
ixpk= 13, nxpk= 20, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr1= 717, 718, 719, 710, 711, 712, 638,
&end
#
# 140 LEU MDX 127 THR HA 6.00 (# 14:20 Unique 5.16, 7.21 A)
&rst
ixpk= 14, nxpk= 20, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 640, 641, 642, 644, 645, 646,
&end
#
# 157 THR MG2 157 THR HA 4.50 (# 15:20 Unique 2.59, 3.29 A)
&rst
ixpk= 15, nxpk= 20, iat= -1, 907, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 911, 912, 913,
&end
#
# 160 GLN HB+ 157 THR HA 6.00 (# 16:20 Unique 2.57, 3.50 A)
&rst
ixpk= 16, nxpk= 20, iat= -1, 907, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 960, 961,
&end
#
# 0 AMB 20-2:17 144 ILE HA 3.50 (# 17:20 Single Ambig)
&rst
ixpk= 17, nxpk= 20, iat= -1, 706, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 717, 718, 719, 710, 711, 712,
&end
#
# 147 GLU HB+ 144 ILE HA 6.00 (# 18:20 Unique 2.21, 2.67 A)
&rst
ixpk= 18, nxpk= 20, iat= -1, 706, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 764, 765,
&end
#
# 0 AMB 20-2:19 144 ILE HA 6.00 (# 19:20 Single Ambig)
&rst
ixpk= 19, nxpk= 20, iat= -1, 706, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 764, 765, 714, 715,
&end
#
# 123 ALA MB 144 ILE HA 4.50 (# 20:20 Unique 3.13, 4.72 A)
&rst
ixpk= 20, nxpk= 20, iat= -1, 706, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 365, 366, 367,
&end
#
# 123 ALA MB 0 AMB 20-1:21 6.00 (# 21:20 Single Ambig)
&rst
ixpk= 21, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 365, 366, 367,
igr2= 779, 780, 779, 780,
&end
#
# 153 PRO HG+ 153 PRO HA 4.50 (# 22:20 Unique 2.64, 3.38 A)
&rst
ixpk= 22, nxpk= 20, iat= -1, 856, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 850, 851,
&end
#
# 153 PRO HB- 153 PRO HA 4.50 (# 23:20 Unique 2.31, 2.70 A)
&rst
ixpk= 23, nxpk= 20, iat= -1, 856, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 853, 854,
&end
#
# 153 PRO HB+ 153 PRO HA 4.50 (# 24:20 Unique 2.31, 2.70 A)
&rst
ixpk= 24, nxpk= 20, iat= -1, 856, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 853, 854,
&end
#
# 163 ILE HB 163 ILE HA 6.00 (# 25:20 Unique 3.02, 3.02 A)
&rst
ixpk= 25, nxpk= 20, iat=1007,1005, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 169 VAL HB 163 ILE HA 6.00 (# 26:20 Unique 2.18, 2.32 A)
&rst
ixpk= 26, nxpk= 20, iat=1115,1005, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 163 ILE HG1- 163 ILE HA 4.50 (# 27:20 Unique 2.53, 2.63 A)
&rst
ixpk= 27, nxpk= 20, iat= -1,1005, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1013,1014,
&end
#
# 163 ILE QG2 163 ILE HA 3.50 (# 28:20 Unique 2.65, 3.32 A)
&rst
ixpk= 28, nxpk= 20, iat= -1,1005, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1009,1010,1011,
&end
#
# 0 AMB 20-2:29 163 ILE HA 4.50 (# 29:20 Single Ambig)
&rst
ixpk= 29, nxpk= 20, iat= -1,1005, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 991,1117,1118,1119,1121,1122,1123,
&end
#
# 163 ILE HG1+ 163 ILE HA 6.00 (# 30:20 Unique 2.53, 2.63 A)
&rst
ixpk= 30, nxpk= 20, iat= -1,1005, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1013,1014,
&end
#
# 0 AMB 20-2:31 163 ILE HA 6.00 (# 31:20 Single Ambig)
&rst
ixpk= 31, nxpk= 20, iat= -1,1005, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 988, 989,1048,1049,1086,1087,1089,1090,
&end
#
# 113 PRO HB+ 113 PRO HA 3.50 (# 32:20 Unique 2.26, 2.63 A)
&rst
ixpk= 32, nxpk= 20, iat= -1, 217, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 214, 215,
&end
#
# 113 PRO HB- 113 PRO HA 3.50 (# 33:20 Unique 2.26, 2.63 A)
&rst
ixpk= 33, nxpk= 20, iat= -1, 217, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 214, 215,
&end
#
# 118 ALA MB 115 SER HB- 4.50 (# 34:20 Unique 5.25, 7.34 A)
&rst
ixpk= 34, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 275, 276, 277,
igr2= 232, 233,
&end
#
# 0 AMB 20-2:35 0 AMB 20-1:35 8.00 (# 35:20 Double Ambig)
&rst
ixpk= 35, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1= 246, 247, 190, 191,
igr2= 232, 233, 217,
&end
#
# 172 PRO HD- 172 PRO HA 6.00 (# 36:20 Unique 3.23, 3.67 A)
&rst
ixpk= 36, nxpk= 20, iat= -1,1181, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1172,1173,
&end
#
# 172 PRO HB+ 172 PRO HA 3.50 (# 37:20 Unique 2.25, 2.64 A)
&rst
ixpk= 37, nxpk= 20, iat= -1,1181, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1178,1179,
&end
#
# 172 PRO HG+ 172 PRO HA 4.50 (# 38:20 Unique 2.71, 3.52 A)
&rst
ixpk= 38, nxpk= 20, iat= -1,1181, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1175,1176,
&end
#
# 172 PRO HB- 172 PRO HA 3.50 (# 39:20 Unique 2.25, 2.64 A)
&rst
ixpk= 39, nxpk= 20, iat= -1,1181, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1178,1179,
&end
#
# 0 AMB 20-2:40 172 PRO HA 6.00 (# 40:20 Single Ambig)
&rst
ixpk= 40, nxpk= 20, iat= -1,1181, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1=1153,1154, 547, 548, 549,
&end
#
# 111 ALA MB 113 PRO HA 6.00 (# 41:20 Unique 5.48, 6.57 A)
&rst
ixpk= 41, nxpk= 20, iat= -1, 217, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 177, 178, 179,
&end
#
# 183 ILE QD1 185 SER HB+ 6.00 (# 42:20 Unique 4.50, 7.54 A)
&rst
ixpk= 42, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1363,1364,1365,
igr2=1388,1389,
&end
#
# 0 AMB 20-2:43 0 AMB 20-1:43 6.00 (# 43:20 Double Ambig)
&rst
ixpk= 43, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.70, r4=13.20,
igr1=1356,1357,1358,1404,1405,1406,1408,1409,1410,1404,
1405,1406,1408,1409,1410,
igr2=1388,1389,1388,1389,1388,1389,
&end
#
# 0 AMB 20-2:44 169 VAL HA 6.00 (# 44:20 Single Ambig)
&rst
ixpk= 44, nxpk= 20, iat= -1,1113, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1298,1299,1131,1132,
&end
#
# 0 AMB 20-2:45 169 VAL HA 3.50 (# 45:20 Single Ambig)
&rst
ixpk= 45, nxpk= 20, iat= -1,1113, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1117,1118,1119,1121,1122,1123,1303,1304,1305,1307,
1308,1309,1303,1304,1305,1307,1308,1309,
&end
#
# 0 AMB 20-2:46 185 SER HB- 6.00 (# 46:20 Single Ambig)
&rst
ixpk= 46, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1103,1104,1342,1343,
igr2=1388,1389,
&end
#
# 0 AMB 20-2:47 185 SER HB- 6.00 (# 47:20 Single Ambig)
&rst
ixpk= 47, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1100,1101,1373,1374,
igr2=1388,1389,
&end
#
# 0 AMB 20-2:48 185 SER HB- 8.00 (# 48:20 Single Ambig)
&rst
ixpk= 48, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=1402,1399,1400,
igr2=1388,1389,
&end
#
# 0 AMB 20-2:49 185 SER HB- 6.00 (# 49:20 Single Ambig)
&rst
ixpk= 49, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
igr1=1356,1357,1358,1404,1405,1406,1408,1409,1410,1404,
1405,1406,1408,1409,1410,
igr2=1388,1389,
&end
#
# 183 ILE QD1 185 SER HB- 6.00 (# 50:20 Unique 4.50, 7.54 A)
&rst
ixpk= 50, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1363,1364,1365,
igr2=1388,1389,
&end
#
# 0 AMB 20-2:51 0 AMB 20-1:51 6.00 (# 51:20 Double Ambig)
&rst
ixpk= 51, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1100,1101,1373,1374,
igr2=1388,1389,1388,1389,
&end
#
# 0 AMB 20-2:52 0 AMB 20-1:52 6.00 (# 52:20 Double Ambig)
&rst
ixpk= 52, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1402,1399,1400,
igr2=1388,1389,1388,1389,
&end
#
# 0 AMB 20-2:53 0 AMB 20-1:53 6.00 (# 53:20 Double Ambig)
&rst
ixpk= 53, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1=1103,1104,1342,1343,1376,1377,
igr2=1388,1389,1388,1389,1388,1389,
&end
#
# 159 MET ME 137 SER HA 6.00 (# 54:20 Unique 2.37, 4.18 A)
&rst
ixpk= 54, nxpk= 20, iat= -1, 596, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 950, 951, 952,
&end
#
# 125 ILE HB 125 ILE HA 4.50 (# 55:20 Unique 2.60, 2.93 A)
&rst
ixpk= 55, nxpk= 20, iat= 385, 383, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:56 125 ILE HA 3.50 (# 56:20 Single Ambig)
&rst
ixpk= 56, nxpk= 20, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 445, 446, 447, 449, 450, 451, 387, 388, 389,1303,
1304,1305,1307,1308,1309,
&end
#
# 125 ILE QD1 125 ILE HA 4.50 (# 57:20 Unique 2.15, 3.21 A)
&rst
ixpk= 57, nxpk= 20, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 394, 395, 396,
&end
#
# 0 AMB 20-2:58 125 ILE HA 6.00 (# 58:20 Single Ambig)
&rst
ixpk= 58, nxpk= 20, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 443,1354,
&end
#
# 0 AMB 20-2:59 125 ILE HA 6.00 (# 59:20 Single Ambig)
&rst
ixpk= 59, nxpk= 20, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr1= 462, 463, 375, 376, 377, 465, 466,
&end
#
# 0 AMB 20-2:60 125 ILE HA 6.00 (# 60:20 Single Ambig)
&rst
ixpk= 60, nxpk= 20, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1=1354,1298,1299, 329, 330,
&end
#
# 125 ILE HG1+ 125 ILE HA 6.00 (# 61:20 Unique 2.20, 2.99 A)
&rst
ixpk= 61, nxpk= 20, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 391, 392,
&end
#
# 0 AMB 20-2:62 161 SER HB- 6.00 (# 62:20 Single Ambig)
&rst
ixpk= 62, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
igr1= 988, 989,1026,1027,1026,1027, 214, 215,1048,1049,
igr2= 977, 978,
&end
#
# 0 AMB 20-2:63 161 SER HB- 8.00 (# 63:20 Single Ambig)
&rst
ixpk= 63, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.70, r4=13.20,
igr1= 329, 330,1032,1033,1032,1033,1048,1049,
igr2= 977, 978,
&end
#
# 0 AMB 20-2:64 0 AMB 20-1:64 6.00 (# 64:20 Double Ambig)
&rst
ixpk= 64, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 329, 330,1032,1033,1032,1033,
igr2= 977, 978, 977, 978, 977, 978,
&end
#
# 162 LEU MDX 161 SER HB+ 6.00 (# 65:20 Unique 3.20, 6.95 A)
&rst
ixpk= 65, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 993, 994, 995, 997, 998, 999,
igr2= 977, 978,
&end
#
# 0 AMB 20-2:66 0 AMB 20-1:66 4.50 (# 66:20 Double Ambig)
&rst
ixpk= 66, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.00, r4= 9.50,
igr1= 326, 327, 988, 989,1026,1027,1026,1027,
igr2= 977, 978, 977, 978, 977, 978, 977, 978,
&end
#
# 0 AMB 20-2:67 0 AMB 20-1:67 6.00 (# 67:20 Double Ambig)
&rst
ixpk= 67, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 960, 961, 214, 215, 943, 944,
igr2= 977, 978, 977, 978, 977, 978,
&end
#
# 0 AMB 20-2:68 0 AMB 20-1:68 6.00 (# 68:20 Double Ambig)
&rst
ixpk= 68, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 960, 961, 214, 215, 943, 944,
igr2= 977, 978, 977, 978, 977, 978,
&end
#
# 0 AMB 20-2:69 104 THR HA 6.00 (# 69:20 Single Ambig)
&rst
ixpk= 69, nxpk= 20, iat= -1, 44, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 63, 64, 63, 64, 87, 88, 87, 88,
&end
#
# 103 THR MG2 103 THR HA 3.50 (# 70:20 Unique 2.34, 3.48 A)
&rst
ixpk= 70, nxpk= 20, iat= -1, 30, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 34, 35, 36,
&end
#
# 0 AMB 20-2:71 104 THR HA 6.00 (# 71:20 Single Ambig)
&rst
ixpk= 71, nxpk= 20, iat= -1, 44, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 60, 61, 84, 85,
&end
#
# 0 AMB 20-2:72 0 AMB 20-1:72 3.50 (# 72:20 Double Ambig)
&rst
ixpk= 72, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 48, 49, 50, 34, 35, 36, 165, 166, 167,
igr2= 44, 161,
&end
#
# 111 ALA MB 110 THR HA 4.50 (# 73:20 Unique 3.95, 4.78 A)
&rst
ixpk= 73, nxpk= 20, iat= -1, 161, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 177, 178, 179,
&end
#
# 0 AMB 20-2:74 0 AMB 20-1:74 6.00 (# 74:20 Double Ambig)
&rst
ixpk= 74, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.18, r4=12.68,
igr1=1035,1036,1035,1036, 680, 681, 680, 681, 680, 681,
igr2= 975, 609, 610, 609, 610, 609, 610,
&end
#
# 160 GLN HB- 161 SER HA 6.00 (# 75:20 Unique 4.22, 4.95 A)
&rst
ixpk= 75, nxpk= 20, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 960, 961,
&end
#
# 0 AMB 20-2:76 0 AMB 20-1:76 4.50 (# 76:20 Double Ambig)
&rst
ixpk= 76, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1= 579, 580, 579, 580,1032,1033,1032,1033, 677, 678,
677, 678,
igr2= 609, 610, 609, 610, 975, 609, 610,
&end
#
# 0 AMB 20-2:77 0 AMB 20-1:77 6.00 (# 77:20 Double Ambig)
&rst
ixpk= 77, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
igr1= 623, 624, 623, 624, 960, 961,
igr2= 609, 610, 609, 610, 975,
&end
#
# 0 AMB 20-2:78 161 SER HA 4.50 (# 78:20 Single Ambig)
&rst
ixpk= 78, nxpk= 20, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1026,1027,1026,1027,
&end
#
# 164 LYS HG+ 161 SER HA 6.00 (# 79:20 Unique 2.13, 2.94 A)
&rst
ixpk= 79, nxpk= 20, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1029,1030,
&end
#
# 164 LYS HG- 161 SER HA 6.00 (# 80:20 Unique 2.13, 2.94 A)
&rst
ixpk= 80, nxpk= 20, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1029,1030,
&end
#
# 0 AMB 20-2:81 0 AMB 20-1:81 6.00 (# 81:20 Double Ambig)
&rst
ixpk= 81, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 375, 376, 377,1402,1399,1400, 465, 466,
igr2= 324,1352,
&end
#
# 183 ILE HG1- 183 ILE HA 3.50 (# 82:20 Unique 2.34, 3.31 A)
&rst
ixpk= 82, nxpk= 20, iat= -1,1352, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1360,1361,
&end
#
# 0 AMB 20-2:83 183 ILE HA 4.50 (# 83:20 Single Ambig)
&rst
ixpk= 83, nxpk= 20, iat= -1,1352, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1100,1101,1339,1340,
&end
#
# 0 AMB 20-2:84 0 AMB 20-1:84 3.50 (# 84:20 Double Ambig)
&rst
ixpk= 84, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1354, 329, 330,
igr2=1352, 324,
&end
#
# 183 ILE HG1+ 183 ILE HA 3.50 (# 85:20 Unique 2.34, 3.31 A)
&rst
ixpk= 85, nxpk= 20, iat= -1,1352, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1360,1361,
&end
#
# 0 AMB 20-2:86 183 ILE HA 3.50 (# 86:20 Single Ambig)
&rst
ixpk= 86, nxpk= 20, iat= -1,1352, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1404,1405,1406,1408,1409,1410,1404,1405,1406,1408,
1409,1410,1356,1357,1358,
&end
#
# 183 ILE QD1 183 ILE HA 4.50 (# 87:20 Unique 2.15, 3.07 A)
&rst
ixpk= 87, nxpk= 20, iat= -1,1352, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1363,1364,1365,
&end
#
# 0 AMB 20-2:88 183 ILE HA 6.00 (# 88:20 Single Ambig)
&rst
ixpk= 88, nxpk= 20, iat= -1,1352, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1100,1101,1339,1340,
&end
#
# 0 AMB 20-2:89 116 LYS HA 8.00 (# 89:20 Single Ambig)
&rst
ixpk= 89, nxpk= 20, iat= -1, 241, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 252, 253, 294, 295,
&end
#
# 0 AMB 20-2:90 116 LYS HA 3.50 (# 90:20 Single Ambig)
&rst
ixpk= 90, nxpk= 20, iat= -1, 241, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 246, 247, 291, 292,
&end
#
# 150 LEU MDY 116 LYS HA 6.00 (# 91:20 Unique 4.51, 7.71 A)
&rst
ixpk= 91, nxpk= 20, iat= -1, 241, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 802, 803, 804, 806, 807, 808,
&end
#
# 0 AMB 20-2:92 116 LYS HA 6.00 (# 92:20 Single Ambig)
&rst
ixpk= 92, nxpk= 20, iat= -1, 241, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 285, 286, 850, 851, 307, 308,
&end
#
# 116 LYS HB- 116 LYS HA 3.50 (# 93:20 Unique 2.32, 2.73 A)
&rst
ixpk= 93, nxpk= 20, iat= -1, 241, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 243, 244,
&end
#
# 116 LYS HG- 116 LYS HA 3.50 (# 94:20 Unique 2.37, 2.99 A)
&rst
ixpk= 94, nxpk= 20, iat= -1, 241, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 246, 247,
&end
#
# 0 AMB 20-2:95 178 ILE HA 6.00 (# 95:20 Single Ambig)
&rst
ixpk= 95, nxpk= 20, iat= -1,1277, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1298,1299,1131,1132,
&end
#
# 178 ILE HB 178 ILE HA 4.50 (# 96:20 Unique 2.47, 2.51 A)
&rst
ixpk= 96, nxpk= 20, iat=1279,1277, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 134 ALA MB 178 ILE HA 6.00 (# 97:20 Unique 4.54, 5.22 A)
&rst
ixpk= 97, nxpk= 20, iat= -1,1277, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 547, 548, 549,
&end
#
# 178 ILE HG1+ 178 ILE HA 4.50 (# 98:20 Unique 2.35, 2.77 A)
&rst
ixpk= 98, nxpk= 20, iat= -1,1277, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1285,1286,
&end
#
# 128 LEU MDX 178 ILE HA 3.50 (# 99:20 Unique 3.35, 5.34 A)
&rst
ixpk= 99, nxpk= 20, iat= -1,1277, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 445, 446, 447, 449, 450, 451,
&end
#
# 143 GLU HG- 143 GLU HA 3.50 (# 100:20 Unique 2.28, 3.21 A)
&rst
ixpk= 100, nxpk= 20, iat= -1, 691, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 696, 697,
&end
#
# 0 AMB 20-2:101 0 AMB 20-1:101 6.00 (# 101:20 Double Ambig)
&rst
ixpk= 101, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1= 428, 429, 430, 797, 798,
igr2= 691, 725,
&end
#
# 0 AMB 20-2:102 0 AMB 20-1:102 4.50 (# 102:20 Double Ambig)
&rst
ixpk= 102, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 696, 697, 730, 731,
igr2= 691, 725,
&end
#
# 0 AMB 20-2:103 0 AMB 20-1:103 6.00 (# 103:20 Double Ambig)
&rst
ixpk= 103, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1= 428, 429, 430, 797, 798,
igr2= 691, 725,
&end
#
# 126 LYS HB- 126 LYS HA 3.50 (# 104:20 Unique 2.47, 2.78 A)
&rst
ixpk= 104, nxpk= 20, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 404, 405,
&end
#
# 126 LYS HB+ 126 LYS HA 3.50 (# 105:20 Unique 2.47, 2.78 A)
&rst
ixpk= 105, nxpk= 20, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 404, 405,
&end
#
# 126 LYS HG+ 126 LYS HA 4.50 (# 106:20 Unique 2.28, 2.73 A)
&rst
ixpk= 106, nxpk= 20, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 407, 408,
&end
#
# 126 LYS HG- 126 LYS HA 4.50 (# 107:20 Unique 2.28, 2.73 A)
&rst
ixpk= 107, nxpk= 20, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 407, 408,
&end
#
# 0 AMB 20-2:108 126 LYS HA 8.00 (# 108:20 Single Ambig)
&rst
ixpk= 108, nxpk= 20, iat= -1, 402, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 468, 469, 413, 414, 413, 414,
&end
#
# 0 AMB 20-2:109 126 LYS HA 4.50 (# 109:20 Single Ambig)
&rst
ixpk= 109, nxpk= 20, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 387, 388, 389,1303,1304,1305,1307,1308,1309,
&end
#
# 152 ILE QG2 141 GLN HA 8.00 (# 110:20 Unique 2.30, 4.02 A)
&rst
ixpk= 110, nxpk= 20, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 833, 834, 835,
&end
#
# 141 GLN HG- 141 GLN HA 6.00 (# 111:20 Unique 2.58, 3.18 A)
&rst
ixpk= 111, nxpk= 20, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 657, 658,
&end
#
# 0 AMB 20-2:112 141 GLN HA 6.00 (# 112:20 Single Ambig)
&rst
ixpk= 112, nxpk= 20, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr1= 950, 951, 952, 671, 672, 307, 308,
&end
#
# 0 AMB 20-2:113 141 GLN HA 6.00 (# 113:20 Single Ambig)
&rst
ixpk= 113, nxpk= 20, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 717, 718, 719, 638,
&end
#
# 143 GLU HB- 143 GLU HA 3.50 (# 114:20 Unique 2.44, 2.81 A)
&rst
ixpk= 114, nxpk= 20, iat= -1, 691, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 693, 694,
&end
#
# 150 LEU MDY 148 SER HA 6.00 (# 115:20 Unique 3.92, 6.40 A)
&rst
ixpk= 115, nxpk= 20, iat= -1, 777, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 802, 803, 804, 806, 807, 808,
&end
#
# 0 AMB 20-2:116 148 SER HA 6.00 (# 116:20 Single Ambig)
&rst
ixpk= 116, nxpk= 20, iat= -1, 777, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 764, 765, 714, 715,
&end
#
# 123 ALA MB 148 SER HA 6.00 (# 117:20 Unique 2.97, 4.72 A)
&rst
ixpk= 117, nxpk= 20, iat= -1, 777, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 365, 366, 367,
&end
#
# 150 LEU MDY 148 SER HA 6.00 (# 118:20 Unique 3.92, 6.40 A)
&rst
ixpk= 118, nxpk= 20, iat= -1, 777, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 802, 803, 804, 806, 807, 808,
&end
#
# 150 LEU HB- 145 GLU HA 8.00 (# 119:20 Unique 4.42, 5.87 A)
&rst
ixpk= 119, nxpk= 20, iat= -1, 725, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 797, 798,
&end
#
# 0 AMB 20-2:120 160 GLN HA 6.00 (# 120:20 Single Ambig)
&rst
ixpk= 120, nxpk= 20, iat= -1, 958, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1=1013,1014, 897, 898, 899,
&end
#
# 122 GLU HB+ 122 GLU HA 3.50 (# 121:20 Unique 2.38, 2.77 A)
&rst
ixpk= 121, nxpk= 20, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 350, 351,
&end
#
# 122 GLU HG+ 122 GLU HA 4.50 (# 122:20 Unique 2.41, 3.26 A)
&rst
ixpk= 122, nxpk= 20, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 353, 354,
&end
#
# 0 AMB 20-2:123 0 AMB 20-1:123 6.00 (# 123:20 Double Ambig)
&rst
ixpk= 123, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 294, 295, 680, 681,
igr2= 283, 669,
&end
#
# 160 GLN HG+ 160 GLN HA 6.00 (# 124:20 Unique 2.60, 3.30 A)
&rst
ixpk= 124, nxpk= 20, iat= -1, 958, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 963, 964,
&end
#
# 125 ILE HG1+ 122 GLU HA 6.00 (# 125:20 Unique 4.26, 5.71 A)
&rst
ixpk= 125, nxpk= 20, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 391, 392,
&end
#
# 119 LYS HB+ 119 LYS HA 3.50 (# 126:20 Unique 2.45, 2.79 A)
&rst
ixpk= 126, nxpk= 20, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 285, 286,
&end
#
# 0 AMB 20-2:127 0 AMB 20-1:127 3.50 (# 127:20 Double Ambig)
&rst
ixpk= 127, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 462, 463, 465, 466, 288, 289, 831,
igr2= 457, 283, 829,
&end
#
# 0 AMB 20-2:128 0 AMB 20-1:128 4.50 (# 128:20 Double Ambig)
&rst
ixpk= 128, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 745, 746, 246, 247,
igr2= 669, 829,
&end
#
# 0 AMB 20-2:129 0 AMB 20-1:129 6.00 (# 129:20 Double Ambig)
&rst
ixpk= 129, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1298,1299, 797, 798,
igr2= 457, 829,
&end
#
# 0 AMB 20-2:130 146 LYS HA 4.50 (# 130:20 Single Ambig)
&rst
ixpk= 130, nxpk= 20, iat= -1, 740, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 748, 749, 748, 749,
&end
#
# 146 LYS HG+ 146 LYS HA 3.50 (# 131:20 Unique 2.59, 3.04 A)
&rst
ixpk= 131, nxpk= 20, iat= -1, 740, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 745, 746,
&end
#
# 0 AMB 20-2:132 0 AMB 20-1:132 6.00 (# 132:20 Double Ambig)
&rst
ixpk= 132, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 751, 752,1140,1141,1140,1141,1035,1036,
igr2= 740,1098, 958,
&end
#
# 0 AMB 20-2:133 0 AMB 20-1:133 4.50 (# 133:20 Double Ambig)
&rst
ixpk= 133, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1303,1304,1305,1307,1308,1309,1303,1304,1305,1307,
1308,1309,1117,1118,1119,1121,1122,1123,
igr2=1098, 958,
&end
#
# 0 AMB 20-2:134 0 AMB 20-1:134 6.00 (# 134:20 Double Ambig)
&rst
ixpk= 134, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1140,1141,1140,1141,1035,1036,1035,1036,
igr2=1098, 958,
&end
#
# 0 AMB 20-2:135 0 AMB 20-1:135 6.00 (# 135:20 Double Ambig)
&rst
ixpk= 135, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1=1303,1304,1305,1307,1308,1309,1303,1304,1305,1307,
1308,1309,1117,1118,1119,1121,1122,1123,
igr2=1098, 958,
&end
#
# 128 LEU MDX 128 LEU HA 4.50 (# 136:20 Unique 2.21, 3.89 A)
&rst
ixpk= 136, nxpk= 20, iat= -1, 438, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 445, 446, 447, 449, 450, 451,
&end
#
# 128 LEU MDX 128 LEU HA 4.50 (# 137:20 Unique 2.21, 3.89 A)
&rst
ixpk= 137, nxpk= 20, iat= -1, 438, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 445, 446, 447, 449, 450, 451,
&end
#
# 127 THR MG2 128 LEU HA 6.00 (# 138:20 Unique 3.55, 5.02 A)
&rst
ixpk= 138, nxpk= 20, iat= -1, 438, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 428, 429, 430,
&end
#
# 128 LEU MDX 128 LEU HA 4.50 (# 139:20 Unique 2.21, 3.89 A)
&rst
ixpk= 139, nxpk= 20, iat= -1, 438, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 445, 446, 447, 449, 450, 451,
&end
#
# 0 AMB 20-2:140 164 LYS HA 4.50 (# 140:20 Single Ambig)
&rst
ixpk= 140, nxpk= 20, iat= -1,1024, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1032,1033,1032,1033,
&end
#
# 0 AMB 20-2:141 0 AMB 20-1:141 6.00 (# 141:20 Double Ambig)
&rst
ixpk= 141, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1=1009,1010,1011, 391, 392,
igr2=1024, 348,
&end
#
# 0 AMB 20-2:142 164 LYS HA 6.00 (# 142:20 Single Ambig)
&rst
ixpk= 142, nxpk= 20, iat= -1,1024, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1035,1036,1035,1036,1065,1066,
&end
#
# 0 AMB 20-2:143 164 LYS HA 3.50 (# 143:20 Single Ambig)
&rst
ixpk= 143, nxpk= 20, iat= -1,1024, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1026,1027,1026,1027,
&end
#
# 164 LYS HG+ 164 LYS HA 3.50 (# 144:20 Unique 2.31, 3.73 A)
&rst
ixpk= 144, nxpk= 20, iat= -1,1024, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1029,1030,
&end
#
# 164 LYS HG- 164 LYS HA 4.50 (# 145:20 Unique 2.31, 3.73 A)
&rst
ixpk= 145, nxpk= 20, iat= -1,1024, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1029,1030,
&end
#
# 0 AMB 20-2:146 139 GLU HA 6.00 (# 146:20 Single Ambig)
&rst
ixpk= 146, nxpk= 20, iat= -1, 618, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 680, 681, 680, 681,
&end
#
# 142 LYS HB+ 139 GLU HA 4.50 (# 147:20 Unique 2.60, 3.70 A)
&rst
ixpk= 147, nxpk= 20, iat= -1, 618, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 671, 672,
&end
#
# 129 LYS HE+ 129 LYS HA 6.00 (# 148:20 Unique 4.52, 5.15 A)
&rst
ixpk= 148, nxpk= 20, iat= -1, 457, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 468, 469,
&end
#
# 0 AMB 20-2:149 0 AMB 20-1:149 4.50 (# 149:20 Double Ambig)
&rst
ixpk= 149, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1303,1304,1305,1307,1308,1309,1303,1304,1305,1307,
1308,1309, 710, 711, 712,
igr2= 457, 829,
&end
#
# 129 LYS HE+ 129 LYS HA 6.00 (# 150:20 Unique 4.52, 5.15 A)
&rst
ixpk= 150, nxpk= 20, iat= -1, 457, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 468, 469,
&end
#
# 0 AMB 20-2:151 0 AMB 20-1:151 2.80 (# 151:20 Double Ambig)
&rst
ixpk= 151, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 764, 765, 742, 743, 742, 743,
igr2= 762, 740,
&end
#
# 0 AMB 20-2:152 128 LEU HA 6.00 (# 152:20 Single Ambig)
&rst
ixpk= 152, nxpk= 20, iat= -1, 438, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1303,1304,1305,1307,1308,1309,1303,1304,1305,1307,
1308,1309, 717, 718, 719, 638,
&end
#
# 162 LEU MDX 162 LEU HA 4.50 (# 153:20 Unique 2.15, 3.94 A)
&rst
ixpk= 153, nxpk= 20, iat= -1, 986, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 993, 994, 995, 997, 998, 999,
&end
#
# 0 AMB 20-2:154 185 SER HA 6.00 (# 154:20 Single Ambig)
&rst
ixpk= 154, nxpk= 20, iat= -1,1386, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1339,1340,1373,1374,
&end
#
# 0 AMB 20-2:155 185 SER HA 6.00 (# 155:20 Single Ambig)
&rst
ixpk= 155, nxpk= 20, iat= -1,1386, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1=1404,1405,1406,1408,1409,1410,1404,1405,1406,1408,
1409,1410,1356,1357,1358,
&end
#
# 139 GLU HG- 139 GLU HA 4.50 (# 156:20 Unique 3.03, 3.49 A)
&rst
ixpk= 156, nxpk= 20, iat= -1, 618, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 623, 624,
&end
#
# 139 GLU HG+ 139 GLU HA 4.50 (# 157:20 Unique 3.03, 3.49 A)
&rst
ixpk= 157, nxpk= 20, iat= -1, 618, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 623, 624,
&end
#
# 139 GLU HB+ 139 GLU HA 3.50 (# 158:20 Unique 2.41, 2.76 A)
&rst
ixpk= 158, nxpk= 20, iat= -1, 618, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 620, 621,
&end
#
# 0 AMB 20-2:159 152 ILE HA 4.50 (# 159:20 Single Ambig)
&rst
ixpk= 159, nxpk= 20, iat= -1, 829, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 312, 313, 314, 316, 317, 318, 833, 834, 835,
&end
#
# 147 GLU HB+ 147 GLU HA 2.80 (# 160:20 Unique 2.42, 2.79 A)
&rst
ixpk= 160, nxpk= 20, iat= -1, 762, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 764, 765,
&end
#
# 0 AMB 20-2:161 185 SER HA 6.00 (# 161:20 Single Ambig)
&rst
ixpk= 161, nxpk= 20, iat= -1,1386, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1402,1399,1400,
&end
#
# 0 AMB 20-2:162 185 SER HA 6.00 (# 162:20 Single Ambig)
&rst
ixpk= 162, nxpk= 20, iat= -1,1386, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1376,1377,1342,1343,1103,1104,
&end
#
# 162 LEU HG 162 LEU HA 4.50 (# 163:20 Unique 2.39, 2.73 A)
&rst
ixpk= 163, nxpk= 20, iat= 991, 986, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 116 LYS HB+ 115 SER HA 6.00 (# 164:20 Unique 5.52, 5.77 A)
&rst
ixpk= 164, nxpk= 20, iat= -1, 230, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 243, 244,
&end
#
# 116 LYS HB- 115 SER HA 6.00 (# 165:20 Unique 5.52, 5.77 A)
&rst
ixpk= 165, nxpk= 20, iat= -1, 230, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 243, 244,
&end
#
# 143 GLU HB- 140 LEU HA 4.50 (# 166:20 Unique 2.19, 3.27 A)
&rst
ixpk= 166, nxpk= 20, iat= -1, 633, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 693, 694,
&end
#
# 140 LEU MDY 140 LEU HA 6.00 (# 167:20 Unique 2.26, 3.84 A)
&rst
ixpk= 167, nxpk= 20, iat= -1, 633, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 640, 641, 642, 644, 645, 646,
&end
#
# 162 LEU MDY 162 LEU HA 3.50 (# 168:20 Unique 2.15, 3.94 A)
&rst
ixpk= 168, nxpk= 20, iat= -1, 986, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 993, 994, 995, 997, 998, 999,
&end
#
# 0 AMB 20-2:169 174 ARG HA 3.50 (# 169:20 Single Ambig)
&rst
ixpk= 169, nxpk= 20, iat= -1,1208, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1210,1211,1159,1160,
&end
#
# 171 LYS HE+ 174 ARG HA 8.00 (# 170:20 Unique 3.65, 5.89 A)
&rst
ixpk= 170, nxpk= 20, iat= -1,1208, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1162,1163,
&end
#
# 0 AMB 20-2:171 174 ARG HA 4.50 (# 171:20 Single Ambig)
&rst
ixpk= 171, nxpk= 20, iat= -1,1208, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1210,1211,1213,1214,
&end
#
# 174 ARG HG+ 174 ARG HA 6.00 (# 172:20 Unique 2.55, 3.52 A)
&rst
ixpk= 172, nxpk= 20, iat= -1,1208, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1213,1214,
&end
#
# 165 MET HB+ 165 MET HA 3.50 (# 173:20 Unique 2.39, 2.76 A)
&rst
ixpk= 173, nxpk= 20, iat= -1,1046, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1048,1049,
&end
#
# 165 MET HB- 165 MET HA 3.50 (# 174:20 Unique 2.39, 2.76 A)
&rst
ixpk= 174, nxpk= 20, iat= -1,1046, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1048,1049,
&end
#
# 165 MET HG+ 165 MET HA 3.50 (# 175:20 Unique 2.33, 2.76 A)
&rst
ixpk= 175, nxpk= 20, iat= -1,1046, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1051,1052,
&end
#
# 140 LEU MDX 140 LEU HA 3.50 (# 176:20 Unique 2.26, 3.84 A)
&rst
ixpk= 176, nxpk= 20, iat= -1, 633, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 640, 641, 642, 644, 645, 646,
&end
#
# 135 ILE QD1 140 LEU HA 4.50 (# 177:20 Unique 2.50, 3.32 A)
&rst
ixpk= 177, nxpk= 20, iat= -1, 633, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 566, 567, 568,
&end
#
# 0 AMB 20-2:178 140 LEU HA 6.00 (# 178:20 Single Ambig)
&rst
ixpk= 178, nxpk= 20, iat= -1, 633, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 563, 564, 428, 429, 430,
&end
#
# 171 LYS HE- 174 ARG HA 8.00 (# 179:20 Unique 3.65, 5.89 A)
&rst
ixpk= 179, nxpk= 20, iat= -1,1208, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1162,1163,
&end
#
# 189 HIS HB+ 189 HIS HA 3.50 (# 180:20 Unique 2.35, 2.70 A)
&rst
ixpk= 180, nxpk= 20, iat= -1,1449, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1451,1452,
&end
#
# 189 HIS HB- 189 HIS HA 3.50 (# 181:20 Unique 2.35, 2.70 A)
&rst
ixpk= 181, nxpk= 20, iat= -1,1449, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1451,1452,
&end
#
# 0 AMB 20-2:182 184 GLU HA 4.50 (# 182:20 Single Ambig)
&rst
ixpk= 182, nxpk= 20, iat= -1,1371, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1404,1405,1406,1408,1409,1410,1404,1405,1406,1408,
1409,1410,1356,1357,1358,
&end
#
# 0 AMB 20-2:183 184 GLU HA 3.50 (# 183:20 Single Ambig)
&rst
ixpk= 183, nxpk= 20, iat= -1,1371, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1376,1377,1376,1377,
&end
#
# 184 GLU HB+ 184 GLU HA 2.80 (# 184:20 Unique 2.33, 2.68 A)
&rst
ixpk= 184, nxpk= 20, iat= -1,1371, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1373,1374,
&end
#
# 0 AMB 20-2:185 130 ARG HA 4.50 (# 185:20 Single Ambig)
&rst
ixpk= 185, nxpk= 20, iat= -1, 479, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 487, 488, 487, 488, 505, 506,
&end
#
# 0 AMB 20-2:186 0 AMB 20-1:186 2.80 (# 186:20 Double Ambig)
&rst
ixpk= 186, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1418,1419, 481, 482,
igr2=1371, 479,
&end
#
# 0 AMB 20-2:187 0 AMB 20-1:187 3.50 (# 187:20 Double Ambig)
&rst
ixpk= 187, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 484, 485, 465, 466, 462, 463,
igr2= 479,1371,
&end
#
# 129 LYS HG+ 130 ARG HA 6.00 (# 188:20 Unique 6.15, 6.63 A)
&rst
ixpk= 188, nxpk= 20, iat= -1, 479, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 462, 463,
&end
#
# 188 HIS HB+ 187 GLU HA 6.00 (# 189:20 Unique 3.97, 5.81 A)
&rst
ixpk= 189, nxpk= 20, iat= -1,1416, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1433,1434,
&end
#
# 0 AMB 20-2:190 187 GLU HA 6.00 (# 190:20 Single Ambig)
&rst
ixpk= 190, nxpk= 20, iat= -1,1416, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1404,1405,1406,1408,1409,1410,1404,1405,1406,1408,
1409,1410,
&end
#
# 187 GLU HG+ 187 GLU HA 3.50 (# 191:20 Unique 2.39, 3.33 A)
&rst
ixpk= 191, nxpk= 20, iat= -1,1416, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1421,1422,
&end
#
# 187 GLU HB+ 187 GLU HA 2.80 (# 192:20 Unique 2.36, 2.73 A)
&rst
ixpk= 192, nxpk= 20, iat= -1,1416, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1418,1419,
&end
#
# 0 AMB 20-2:193 187 GLU HA 6.00 (# 193:20 Single Ambig)
&rst
ixpk= 193, nxpk= 20, iat= -1,1416, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1402,1399,1400,
&end
#
# 180 GLU HG- 180 GLU HA 4.50 (# 194:20 Unique 2.36, 2.76 A)
&rst
ixpk= 194, nxpk= 20, iat= -1,1315, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1320,1321,
&end
#
# 180 GLU HB- 180 GLU HA 3.50 (# 195:20 Unique 2.45, 2.76 A)
&rst
ixpk= 195, nxpk= 20, iat= -1,1315, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1317,1318,
&end
#
# 0 AMB 20-2:196 180 GLU HA 4.50 (# 196:20 Single Ambig)
&rst
ixpk= 196, nxpk= 20, iat= -1,1315, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1303,1304,1305,1307,1308,1309,1303,1304,1305,1307,
1308,1309,
&end
#
# 0 AMB 20-2:197 0 AMB 20-1:197 6.00 (# 197:20 Double Ambig)
&rst
ixpk= 197, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.27, r4=11.77,
igr1= 48, 49, 50, 34, 35, 36, 165, 166, 167, 391,
392,
igr2= 58, 82, 130,1337,
&end
#
# 0 AMB 20-2:198 0 AMB 20-1:198 6.00 (# 198:20 Double Ambig)
&rst
ixpk= 198, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.27, r4=11.77,
igr1= 48, 49, 50, 34, 35, 36, 165, 166, 167, 391,
392,
igr2= 58, 82, 130,1337,
&end
#
# 0 AMB 20-2:199 0 AMB 20-1:199 2.80 (# 199:20 Double Ambig)
&rst
ixpk= 199, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 84, 85, 60, 61, 108, 109,
igr2= 82, 58, 106,
&end
#
# 0 AMB 20-2:200 0 AMB 20-1:200 3.50 (# 200:20 Double Ambig)
&rst
ixpk= 200, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1= 90, 91, 90, 91, 66, 67, 66, 67, 114, 115,
114, 115, 138, 139, 138, 139, 90, 91, 66, 67,
igr2= 82, 58, 106, 130,
&end
#
# 0 AMB 20-2:201 0 AMB 20-1:201 2.80 (# 201:20 Double Ambig)
&rst
ixpk= 201, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 87, 88, 87, 88, 135, 136, 135, 136, 111, 112,
111, 112, 63, 64, 63, 64, 465, 466, 462, 463,
135, 136, 63, 64, 111, 112,
igr2= 82, 130, 106, 58,1337,
&end
#
# 180 GLU HB+ 180 GLU HA 4.50 (# 202:20 Unique 2.45, 2.76 A)
&rst
ixpk= 202, nxpk= 20, iat= -1,1315, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1317,1318,
&end
#
# 0 AMB 20-2:203 180 GLU HA 6.00 (# 203:20 Single Ambig)
&rst
ixpk= 203, nxpk= 20, iat= -1,1315, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1301,1137,1138,
&end
#
# 0 AMB 20-2:204 182 GLU HA 3.50 (# 204:20 Single Ambig)
&rst
ixpk= 204, nxpk= 20, iat= -1,1337, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1342,1343,1342,1343,
&end
#
# 182 GLU HB- 182 GLU HA 3.50 (# 205:20 Unique 2.30, 2.66 A)
&rst
ixpk= 205, nxpk= 20, iat= -1,1337, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1339,1340,
&end
#
# 129 LYS HG+ 182 GLU HA 6.00 (# 206:20 Unique 3.08, 4.42 A)
&rst
ixpk= 206, nxpk= 20, iat= -1,1337, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 462, 463,
&end
#
# 183 ILE HG1+ 182 GLU HA 6.00 (# 207:20 Unique 5.60, 6.50 A)
&rst
ixpk= 207, nxpk= 20, iat= -1,1337, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1360,1361,
&end
#
# 0 AMB 20-2:208 182 GLU HA 4.50 (# 208:20 Single Ambig)
&rst
ixpk= 208, nxpk= 20, iat= -1,1337, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1303,1304,1305,1307,1308,1309,1303,1304,1305,1307,
1308,1309,
&end
#
# 0 AMB 20-2:209 186 LEU HA 2.80 (# 209:20 Single Ambig)
&rst
ixpk= 209, nxpk= 20, iat= -1,1397, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1399,1400,1402,
&end
#
# 186 LEU MDX 186 LEU HA 3.50 (# 210:20 Unique 2.20, 4.11 A)
&rst
ixpk= 210, nxpk= 20, iat= -1,1397, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1404,1405,1406,1408,1409,1410,
&end
#
# 120 LEU MDY 117 ALA HA 6.00 (# 211:20 Unique 2.33, 4.90 A)
&rst
ixpk= 211, nxpk= 20, iat= -1, 263, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 312, 313, 314, 316, 317, 318,
&end
#
# 0 AMB 20-2:212 117 ALA HA 4.50 (# 212:20 Single Ambig)
&rst
ixpk= 212, nxpk= 20, iat= -1, 263, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 265, 266, 267, 310, 246, 247,
&end
#
# 120 LEU MDY 117 ALA HA 6.00 (# 213:20 Unique 2.33, 4.90 A)
&rst
ixpk= 213, nxpk= 20, iat= -1, 263, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 312, 313, 314, 316, 317, 318,
&end
#
# 120 LEU MDX 117 ALA HA 6.00 (# 214:20 Unique 2.33, 4.90 A)
&rst
ixpk= 214, nxpk= 20, iat= -1, 263, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 312, 313, 314, 316, 317, 318,
&end
#
# 0 AMB 20-2:215 118 ALA HA 4.50 (# 215:20 Single Ambig)
&rst
ixpk= 215, nxpk= 20, iat= -1, 273, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 265, 266, 267, 288, 289,
&end
#
# 0 AMB 20-2:216 124 ALA HA 6.00 (# 216:20 Single Ambig)
&rst
ixpk= 216, nxpk= 20, iat= -1, 373, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 640, 641, 642, 644, 645, 646, 993, 994, 995, 997,
998, 999,
&end
#
# 124 ALA MB 124 ALA HA 4.50 (# 217:20 Unique 2.38, 2.66 A)
&rst
ixpk= 217, nxpk= 20, iat= -1, 373, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 375, 376, 377,
&end
#
# 0 AMB 20-2:218 124 ALA HA 4.50 (# 218:20 Single Ambig)
&rst
ixpk= 218, nxpk= 20, iat= -1, 373, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 717, 718, 719, 710, 711, 712,
&end
#
# 118 ALA MB 118 ALA HA 3.50 (# 219:20 Unique 2.43, 2.66 A)
&rst
ixpk= 219, nxpk= 20, iat= -1, 273, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 275, 276, 277,
&end
#
# 173 TYR HB+ 173 TYR HA 3.50 (# 220:20 Unique 2.33, 2.75 A)
&rst
ixpk= 220, nxpk= 20, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1189,1190,
&end
#
# 0 AMB 20-2:221 0 AMB 20-1:221 6.00 (# 221:20 Double Ambig)
&rst
ixpk= 221, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
igr1= 993, 994, 995, 997, 998, 999, 833, 834, 835, 312,
313, 314, 316, 317, 318,
igr2= 941, 814,
&end
#
# 145 GLU HG- 151 GLU HA 6.00 (# 222:20 Unique 2.14, 4.24 A)
&rst
ixpk= 222, nxpk= 20, iat= -1, 814, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 730, 731,
&end
#
# 151 GLU HG- 151 GLU HA 4.50 (# 223:20 Unique 2.44, 3.23 A)
&rst
ixpk= 223, nxpk= 20, iat= -1, 814, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 819, 820,
&end
#
# 0 AMB 20-2:224 173 TYR HA 6.00 (# 224:20 Single Ambig)
&rst
ixpk= 224, nxpk= 20, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1159,1160,1210,1211,1175,1176,
&end
#
# 173 TYR HB- 173 TYR HA 4.50 (# 225:20 Unique 2.33, 2.75 A)
&rst
ixpk= 225, nxpk= 20, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1189,1190,
&end
#
# 0 AMB 20-2:226 173 TYR HA 6.00 (# 226:20 Single Ambig)
&rst
ixpk= 226, nxpk= 20, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1213,1214,1175,1176,
&end
#
# 145 GLU HG- 151 GLU HA 8.00 (# 227:20 Unique 2.14, 4.24 A)
&rst
ixpk= 227, nxpk= 20, iat= -1, 814, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 730, 731,
&end
#
# 0 AMB 20-2:228 123 ALA HA 4.50 (# 228:20 Single Ambig)
&rst
ixpk= 228, nxpk= 20, iat= -1, 363, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 767, 768, 353, 354,
&end
#
# 0 AMB 20-2:229 123 ALA HA 4.50 (# 229:20 Single Ambig)
&rst
ixpk= 229, nxpk= 20, iat= -1, 363, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 710, 711, 712, 717, 718, 719,
&end
#
# 126 LYS HB- 123 ALA HA 4.50 (# 230:20 Unique 2.53, 3.74 A)
&rst
ixpk= 230, nxpk= 20, iat= -1, 363, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 404, 405,
&end
#
# 126 LYS HB+ 123 ALA HA 4.50 (# 231:20 Unique 2.53, 3.74 A)
&rst
ixpk= 231, nxpk= 20, iat= -1, 363, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 404, 405,
&end
#
# 0 AMB 20-2:232 123 ALA HA 6.00 (# 232:20 Single Ambig)
&rst
ixpk= 232, nxpk= 20, iat= -1, 363, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 413, 414, 413, 414,
&end
#
# 0 AMB 20-2:233 123 ALA HA 3.50 (# 233:20 Single Ambig)
&rst
ixpk= 233, nxpk= 20, iat= -1, 363, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 365, 366, 367, 407, 408,
&end
#
# 126 LYS HG- 123 ALA HA 6.00 (# 234:20 Unique 3.45, 4.98 A)
&rst
ixpk= 234, nxpk= 20, iat= -1, 363, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 407, 408,
&end
#
# 134 ALA MB 134 ALA HA 4.50 (# 235:20 Unique 2.42, 2.66 A)
&rst
ixpk= 235, nxpk= 20, iat= -1, 545, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 547, 548, 549,
&end
#
# 178 ILE QG2 134 ALA HA 6.00 (# 236:20 Unique 4.51, 4.95 A)
&rst
ixpk= 236, nxpk= 20, iat= -1, 545, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1281,1282,1283,
&end
#
# 178 ILE HB 134 ALA HA 6.00 (# 237:20 Unique 2.22, 2.39 A)
&rst
ixpk= 237, nxpk= 20, iat=1279, 545, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 112 ARG HG- 111 ALA HA 6.00 (# 238:20 Unique 3.47, 4.52 A)
&rst
ixpk= 238, nxpk= 20, iat= -1, 175, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 190, 191,
&end
#
# 111 ALA MB 111 ALA HA 2.80 (# 239:20 Unique 2.39, 2.66 A)
&rst
ixpk= 239, nxpk= 20, iat= -1, 175, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 177, 178, 179,
&end
#
# 0 AMB 20-2:240 111 ALA HA 6.00 (# 240:20 Single Ambig)
&rst
ixpk= 240, nxpk= 20, iat= -1, 175, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 187, 188,2264,
&end
#
# 152 ILE QG2 153 PRO HD+ 6.00 (# 241:20 Unique 2.36, 4.38 A)
&rst
ixpk= 241, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 833, 834, 835,
igr2= 847, 848,
&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= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 850, 851, 211, 212, 307, 308,
igr2= 847, 848, 208, 209,
&end
#
# 152 ILE QG2 153 PRO HD- 4.50 (# 243:20 Unique 2.36, 4.38 A)
&rst
ixpk= 243, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 833, 834, 835,
igr2= 847, 848,
&end
#
# 113 PRO HB+ 113 PRO HD- 4.50 (# 244:20 Unique 2.73, 3.66 A)
&rst
ixpk= 244, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 214, 215,
igr2= 208, 209,
&end
#
# 133 ALA MB 133 ALA HA 2.80 (# 245:20 Unique 2.45, 2.66 A)
&rst
ixpk= 245, nxpk= 20, iat= -1, 535, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 537, 538, 539,
&end
#
# 134 ALA MB 133 ALA HA 4.50 (# 246:20 Unique 4.48, 5.13 A)
&rst
ixpk= 246, nxpk= 20, iat= -1, 535, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 547, 548, 549,
&end
#
# 113 PRO HB+ 113 PRO HD+ 6.00 (# 247:20 Unique 2.73, 3.66 A)
&rst
ixpk= 247, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 214, 215,
igr2= 208, 209,
&end
#
# 113 PRO HG+ 113 PRO HD+ 3.50 (# 248:20 Unique 2.33, 2.61 A)
&rst
ixpk= 248, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 211, 212,
igr2= 208, 209,
&end
#
# 167 PRO HB- 167 PRO HD+ 6.00 (# 249:20 Unique 2.73, 3.65 A)
&rst
ixpk= 249, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1089,1090,
igr2=1083,1084,
&end
#
# 0 AMB 20-2:250 0 AMB 20-1:250 4.50 (# 250:20 Double Ambig)
&rst
ixpk= 250, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 816, 817, 190, 191, 190, 191,
igr2= 847, 848, 208, 209,
&end
#
# 178 ILE HG1+ 133 ALA HA 6.00 (# 251:20 Unique 2.59, 3.95 A)
&rst
ixpk= 251, nxpk= 20, iat= -1, 535, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1285,1286,
&end
#
# 178 ILE QD1 133 ALA HA 3.50 (# 252:20 Unique 2.40, 3.54 A)
&rst
ixpk= 252, nxpk= 20, iat= -1, 535, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1288,1289,1290,
&end
#
# 0 AMB 20-2:253 0 AMB 20-1:253 4.50 (# 253:20 Double Ambig)
&rst
ixpk= 253, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1086,1087,1089,1090,
igr2=1083,1084,1083,1084,
&end
#
# 172 PRO HG+ 172 PRO HD+ 6.00 (# 254:20 Unique 2.30, 2.61 A)
&rst
ixpk= 254, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1175,1176,
igr2=1172,1173,
&end
#
# 178 ILE QG2 172 PRO HD+ 6.00 (# 255:20 Unique 2.21, 3.64 A)
&rst
ixpk= 255, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1281,1282,1283,
igr2=1172,1173,
&end
#
# 0 AMB 20-2:256 0 AMB 20-1:256 4.50 (# 256:20 Double Ambig)
&rst
ixpk= 256, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1175,1176,1279,
igr2=1172,1173,1172,1173,
&end
#
# 108 ARG HB- 109 GLY HA+ 6.00 (# 257:20 Unique 3.91, 4.99 A)
&rst
ixpk= 257, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 132, 133,
igr2= 154, 155,
&end
#
# 110 THR MG2 109 GLY HA+ 6.00 (# 258:20 Unique 3.38, 5.59 A)
&rst
ixpk= 258, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 165, 166, 167,
igr2= 154, 155,
&end
#
# 0 AMB 20-2:259 0 AMB 20-1:259 6.00 (# 259:20 Double Ambig)
&rst
ixpk= 259, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 135, 136, 135, 136, 111, 112,
igr2= 154, 155, 154, 155, 154, 155,
&end
#
# 0 AMB 20-2:260 0 AMB 20-1:260 6.00 (# 260:20 Double Ambig)
&rst
ixpk= 260, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.87, r4=12.37,
igr1= 135, 136, 135, 136, 850, 851, 111, 112, 111, 112,
igr2= 154, 155, 223, 224, 223, 224,
&end
#
# 110 THR MG2 109 GLY HA- 6.00 (# 261:20 Unique 3.38, 5.59 A)
&rst
ixpk= 261, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 165, 166, 167,
igr2= 154, 155,
&end
#
# 0 AMB 20-2:262 0 AMB 20-1:262 6.00 (# 262:20 Double Ambig)
&rst
ixpk= 262, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.24, r4=12.74,
igr1= 265, 266, 267, 246, 247, 246, 247, 850, 851,
igr2= 223, 224, 223, 224, 223, 224, 223, 224,
&end
#
# 179 LEU MDX 181 GLY HA- 6.00 (# 263:20 Unique 4.44, 6.88 A)
&rst
ixpk= 263, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1303,1304,1305,1307,1308,1309,
igr2=1330,1331,
&end
#
# 0 AMB 20-2:264 181 GLY HA- 6.00 (# 264:20 Single Ambig)
&rst
ixpk= 264, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1339,1340,1100,1101,
igr2=1330,1331,
&end
#
# 0 AMB 20-2:265 181 GLY HA- 4.50 (# 265:20 Single Ambig)
&rst
ixpk= 265, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1317,1318,1339,1340,1100,1101,
igr2=1330,1331,
&end
#
# 0 AMB 20-2:266 181 GLY HA- 4.50 (# 266:20 Single Ambig)
&rst
ixpk= 266, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1103,1104,1342,1343,
igr2=1330,1331,
&end
#
# 179 LEU MDX 181 GLY HA+ 6.00 (# 267:20 Unique 4.44, 6.88 A)
&rst
ixpk= 267, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1303,1304,1305,1307,1308,1309,
igr2=1330,1331,
&end
#
# 0 AMB 20-2:268 0 AMB 20-1:268 4.50 (# 268:20 Double Ambig)
&rst
ixpk= 268, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1317,1318,1339,1340,1100,1101,
igr2=1330,1331,1330,1331,1330,1331,
&end
#
# 182 GLU HB- 181 GLY HA+ 6.00 (# 269:20 Unique 4.24, 5.39 A)
&rst
ixpk= 269, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1339,1340,
igr2=1330,1331,
&end
#
# 179 LEU HG 181 GLY HA+ 8.00 (# 270:20 Unique 4.93, 6.00 A)
&rst
ixpk= 270, nxpk= 20, iat=1301, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1330,1331,
&end
#
# 0 AMB 20-2:271 0 AMB 20-1:271 6.00 (# 271:20 Double Ambig)
&rst
ixpk= 271, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1=1303,1304,1305,1307,1308,1309,1303,1304,1305,1307,
1308,1309,
igr2=1330,1331,1330,1331,
&end
#
# 182 GLU HG- 181 GLY HA+ 6.00 (# 272:20 Unique 3.69, 5.38 A)
&rst
ixpk= 272, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1342,1343,
igr2=1330,1331,
&end
#
# 0 AMB 20-2:273 167 PRO HD- 3.50 (# 273:20 Single Ambig)
&rst
ixpk= 273, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1086,1087,1089,1090,
igr2=1083,1084,
&end
#
# 0 AMB 20-2:274 167 PRO HD- 4.50 (# 274:20 Single Ambig)
&rst
ixpk= 274, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1089,1090,1103,1104,
igr2=1083,1084,
&end
#
# 171 LYS HB+ 172 PRO HD- 8.00 (# 275:20 Unique 4.53, 5.00 A)
&rst
ixpk= 275, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1153,1154,
igr2=1172,1173,
&end
#
# 172 PRO HG- 172 PRO HD- 6.00 (# 276:20 Unique 2.30, 2.61 A)
&rst
ixpk= 276, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1175,1176,
igr2=1172,1173,
&end
#
# 0 AMB 20-2:277 172 PRO HD- 6.00 (# 277:20 Single Ambig)
&rst
ixpk= 277, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1178,1179,1241,1242,
igr2=1172,1173,
&end
#
# 0 AMB 20-2:278 172 PRO HD- 6.00 (# 278:20 Single Ambig)
&rst
ixpk= 278, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1175,1176,1131,1132,
igr2=1172,1173,
&end
#
# 178 ILE QG2 172 PRO HD- 6.00 (# 279:20 Unique 2.21, 3.64 A)
&rst
ixpk= 279, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1281,1282,1283,
igr2=1172,1173,
&end
#
# 0 AMB 20-2:280 177 TYR HB- 8.00 (# 280:20 Single Ambig)
&rst
ixpk= 280, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.59, r4=14.09,
igr1= 640, 641, 642, 644, 645, 646, 445, 446, 447, 449,
450, 451,
igr2=1258,1259,
&end
#
# 0 AMB 20-2:281 177 TYR HB- 4.50 (# 281:20 Single Ambig)
&rst
ixpk= 281, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1117,1118,1119,1121,1122,1123, 445, 446, 447, 449,
450, 451,
igr2=1258,1259,
&end
#
# 0 AMB 20-2:282 177 TYR HB- 6.00 (# 282:20 Single Ambig)
&rst
ixpk= 282, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1117,1118,1119,1121,1122,1123, 445, 446, 447, 449,
450, 451,
igr2=1258,1259,
&end
#
# 174 ARG HB+ 174 ARG HD+ 6.00 (# 283:20 Unique 2.25, 2.96 A)
&rst
ixpk= 283, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1210,1211,
igr2=1216,1217,
&end
#
# 174 ARG HG- 174 ARG HD+ 6.00 (# 284:20 Unique 2.29, 2.71 A)
&rst
ixpk= 284, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1213,1214,
igr2=1216,1217,
&end
#
# 174 ARG HG+ 174 ARG HD- 6.00 (# 285:20 Unique 2.29, 2.71 A)
&rst
ixpk= 285, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1213,1214,
igr2=1216,1217,
&end
#
# 0 AMB 20-2:286 0 AMB 20-1:286 6.00 (# 286:20 Double Ambig)
&rst
ixpk= 286, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=2010,2232,
igr2= 193, 194, 114, 115, 114, 115,
&end
#
# 211 GUA H2'' 0 AMB 20-1:287 8.00 (# 287:20 Single Ambig)
&rst
ixpk= 287, nxpk= 20, iat=2107, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr2= 138, 139, 138, 139,
&end
#
# 111 ALA MB 112 ARG HD+ 6.00 (# 288:20 Unique 4.03, 6.22 A)
&rst
ixpk= 288, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 177, 178, 179,
igr2= 193, 194,
&end
#
# 0 AMB 20-2:289 0 AMB 20-1:289 2.80 (# 289:20 Double Ambig)
&rst
ixpk= 289, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 132, 133, 132, 133, 187, 188,
igr2= 138, 139, 138, 139, 193, 194,
&end
#
# 0 AMB 20-2:290 0 AMB 20-1:290 2.80 (# 290:20 Double Ambig)
&rst
ixpk= 290, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
igr1= 87, 88, 87, 88, 87, 88, 63, 64, 63, 64,
63, 64, 135, 136, 135, 136, 135, 136, 484, 485,
111, 112, 111, 112, 111, 112,
igr2= 90, 91, 90, 91, 90, 91, 66, 67, 66, 67,
66, 67, 138, 139, 138, 139, 138, 139, 487, 488,
487, 488, 114, 115, 114, 115, 114, 115,
&end
#
# 211 GUA H2' 0 AMB 20-1:291 6.00 (# 291:20 Single Ambig)
&rst
ixpk= 291, nxpk= 20, iat=2106, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 138, 139, 138, 139,
&end
#
# 0 AMB 20-2:292 171 LYS HE- 3.50 (# 292:20 Single Ambig)
&rst
ixpk= 292, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1159,1160,1159,1160,
igr2=1162,1163,
&end
#
# 171 LYS HG- 171 LYS HE+ 4.50 (# 293:20 Unique 2.39, 3.29 A)
&rst
ixpk= 293, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1156,1157,
igr2=1162,1163,
&end
#
# 171 LYS HG+ 171 LYS HE- 6.00 (# 294:20 Unique 2.39, 3.29 A)
&rst
ixpk= 294, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1156,1157,
igr2=1162,1163,
&end
#
# 171 LYS HB+ 171 LYS HE- 6.00 (# 295:20 Unique 1.96, 2.99 A)
&rst
ixpk= 295, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1153,1154,
igr2=1162,1163,
&end
#
# 0 AMB 20-2:296 171 LYS HE- 6.00 (# 296:20 Single Ambig)
&rst
ixpk= 296, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1131,1132,1175,1176,
igr2=1162,1163,
&end
#
# 171 LYS HB- 171 LYS HE- 4.50 (# 297:20 Unique 1.96, 2.99 A)
&rst
ixpk= 297, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1153,1154,
igr2=1162,1163,
&end
#
# 171 LYS HG- 171 LYS HE- 6.00 (# 298:20 Unique 2.39, 3.29 A)
&rst
ixpk= 298, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1156,1157,
igr2=1162,1163,
&end
#
# 163 ILE QD1 171 LYS HE- 6.00 (# 299:20 Unique 3.68, 5.61 A)
&rst
ixpk= 299, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1016,1017,1018,
igr2=1162,1163,
&end
#
# 0 AMB 20-2:300 0 AMB 20-1:300 6.00 (# 300:20 Double Ambig)
&rst
ixpk= 300, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 623, 624,1882,
igr2= 585, 586, 585, 586, 585, 586,
&end
#
# 0 AMB 20-2:301 0 AMB 20-1:301 3.50 (# 301:20 Double Ambig)
&rst
ixpk= 301, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1= 819, 820, 576, 577, 576, 577,1244,1245, 285, 286,
igr2= 252, 253, 585, 586, 585, 586, 585, 586,
&end
#
# 0 AMB 20-2:302 0 AMB 20-1:302 6.00 (# 302:20 Double Ambig)
&rst
ixpk= 302, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.45, r4=12.95,
igr1= 853, 854,1244,1245,1244,1245, 623, 624, 623, 624,
igr2= 252, 253, 585, 586, 585, 586, 585, 586,
&end
#
# 0 AMB 20-2:303 0 AMB 20-1:303 2.80 (# 303:20 Double Ambig)
&rst
ixpk= 303, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 816, 817, 582, 583, 582, 583,
igr2= 252, 253, 585, 586, 585, 586,
&end
#
# 0 AMB 20-2:304 0 AMB 20-1:304 2.80 (# 304:20 Double Ambig)
&rst
ixpk= 304, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 850, 851, 579, 580, 579, 580,
igr2= 252, 253, 585, 586, 585, 586,
&end
#
# 0 AMB 20-2:305 0 AMB 20-1:305 3.50 (# 305:20 Double Ambig)
&rst
ixpk= 305, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 579, 580, 288, 289, 246, 247,
igr2= 585, 586, 585, 586, 294, 295, 252, 253,
&end
#
# 0 AMB 20-2:306 0 AMB 20-1:306 3.50 (# 306:20 Double Ambig)
&rst
ixpk= 306, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1=1244,1245, 960, 961, 960, 961, 853, 854,
igr2=1189,1190,1035,1036,1035,1036, 252, 253,
&end
#
# 150 LEU MDY 116 LYS HE+ 6.00 (# 307:20 Unique 2.42, 6.44 A)
&rst
ixpk= 307, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 802, 803, 804, 806, 807, 808,
igr2= 252, 253,
&end
#
# 0 AMB 20-2:308 0 AMB 20-1:308 2.80 (# 308:20 Double Ambig)
&rst
ixpk= 308, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1= 850, 851, 742, 743, 742, 743, 671, 672, 671, 672,
285, 286,
igr2= 252, 253, 751, 752, 751, 752, 680, 681, 680, 681,
294, 295,
&end
#
# 0 AMB 20-2:309 0 AMB 20-1:309 2.80 (# 309:20 Double Ambig)
&rst
ixpk= 309, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
igr1= 748, 749, 748, 749, 674, 675, 674, 675, 816, 817,
677, 678, 677, 678,1032,1033,1032,1033,1032,1033,
igr2= 751, 752, 751, 752, 680, 681, 680, 681, 252, 253,
680, 681,1035,1036,1035,1036,1035,1036,
&end
#
# 0 AMB 20-2:310 0 AMB 20-1:310 2.80 (# 310:20 Double Ambig)
&rst
ixpk= 310, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=1241,1242,1134,1135,1134,1135,1137,1138,
igr2=1189,1190,1140,1141,1140,1141,1140,1141,
&end
#
# 0 AMB 20-2:311 0 AMB 20-1:311 3.50 (# 311:20 Double Ambig)
&rst
ixpk= 311, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1=1026,1027,1026,1027,1026,1027,1241,1242,
igr2=1035,1036,1035,1036,1035,1036,1189,1190,
&end
#
# 150 LEU MDX 0 AMB 20-1:312 3.50 (# 312:20 Single Ambig)
&rst
ixpk= 312, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 802, 803, 804, 806, 807, 808,
igr2= 252, 253, 294, 295,
&end
#
# 0 AMB 20-2:313 0 AMB 20-1:313 4.50 (# 313:20 Double Ambig)
&rst
ixpk= 313, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 353, 354,1376,1377, 767, 768,
igr2= 413, 414, 413, 414, 468, 469, 413, 414,
&end
#
# 126 LYS HG- 0 AMB 20-1:314 2.80 (# 314:20 Single Ambig)
&rst
ixpk= 314, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 407, 408,
igr2= 413, 414, 413, 414, 468, 469,
&end
#
# 0 AMB 20-2:315 0 AMB 20-1:315 6.00 (# 315:20 Double Ambig)
&rst
ixpk= 315, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 353, 354, 353, 354,
igr2= 413, 414, 413, 414,
&end
#
# 0 AMB 20-2:316 0 AMB 20-1:316 2.80 (# 316:20 Double Ambig)
&rst
ixpk= 316, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 404, 405, 404, 405, 459, 460, 459, 460,
igr2= 413, 414, 413, 414, 468, 469,
&end
#
# 0 AMB 20-2:317 0 AMB 20-1:317 2.80 (# 317:20 Double Ambig)
&rst
ixpk= 317, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 410, 411, 410, 411, 410, 411, 465, 466, 462, 463,
igr2= 413, 414, 413, 414, 413, 414, 468, 469,
&end
#
# 0 AMB 20-2:318 0 AMB 20-1:318 3.50 (# 318:20 Double Ambig)
&rst
ixpk= 318, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 387, 388, 389,1303,1304,1305,1307,1308,1309,1363,
1364,1365,
igr2= 468, 469, 413, 414,
&end
#
# 125 ILE QD1 129 LYS HE- 6.00 (# 319:20 Unique 5.98, 7.73 A)
&rst
ixpk= 319, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 394, 395, 396,
igr2= 468, 469,
&end
#
# 0 AMB 20-2:320 0 AMB 20-1:320 3.50 (# 320:20 Double Ambig)
&rst
ixpk= 320, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 459, 460, 459, 460,
igr2= 468, 469, 468, 469,
&end
#
# 0 AMB 20-2:321 0 AMB 20-1:321 2.80 (# 321:20 Double Ambig)
&rst
ixpk= 321, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 465, 466, 465, 466, 462, 463,
igr2= 468, 469, 468, 469, 468, 469,
&end
#
# 129 LYS HG+ 129 LYS HE+ 3.50 (# 322:20 Unique 2.30, 3.24 A)
&rst
ixpk= 322, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 462, 463,
igr2= 468, 469,
&end
#
# 125 ILE QD1 129 LYS HE+ 6.00 (# 323:20 Unique 5.98, 7.73 A)
&rst
ixpk= 323, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 394, 395, 396,
igr2= 468, 469,
&end
#
# 0 AMB 20-2:324 0 AMB 20-1:324 2.80 (# 324:20 Double Ambig)
&rst
ixpk= 324, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 387, 388, 389,1303,1304,1305,1307,1308,1309,
igr2= 468, 469, 468, 469,
&end
#
# 169 VAL MGY 166 TYR HB+ 6.00 (# 325:20 Unique 2.32, 5.10 A)
&rst
ixpk= 325, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1117,1118,1119,1121,1122,1123,
igr2=1065,1066,
&end
#
# 183 ILE QD1 166 TYR HB+ 6.00 (# 326:20 Unique 2.17, 3.52 A)
&rst
ixpk= 326, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1363,1364,1365,
igr2=1065,1066,
&end
#
# 169 VAL MGY 166 TYR HB+ 6.00 (# 327:20 Unique 2.32, 5.10 A)
&rst
ixpk= 327, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1117,1118,1119,1121,1122,1123,
igr2=1065,1066,
&end
#
# 169 VAL MGY 166 TYR HB- 4.50 (# 328:20 Unique 2.32, 5.10 A)
&rst
ixpk= 328, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1117,1118,1119,1121,1122,1123,
igr2=1065,1066,
&end
#
# 0 AMB 20-2:329 0 AMB 20-1:329 6.00 (# 329:20 Double Ambig)
&rst
ixpk= 329, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 537, 538, 539,1301,
igr2= 523, 524,1065,1066,
&end
#
# 0 AMB 20-2:330 166 TYR HB- 8.00 (# 330:20 Single Ambig)
&rst
ixpk= 330, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1=1103,1104,1051,1052,
igr2=1065,1066,
&end
#
# 0 AMB 20-2:331 0 AMB 20-1:331 6.00 (# 331:20 Double Ambig)
&rst
ixpk= 331, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 537, 538, 539,1301,
igr2= 523, 524, 523, 524,1065,1066,
&end
#
# 162 LEU MDX 159 MET HG+ 8.00 (# 332:20 Unique 2.74, 6.24 A)
&rst
ixpk= 332, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1= 993, 994, 995, 997, 998, 999,
igr2= 946, 947,
&end
#
# 162 LEU MDX 159 MET HG+ 6.00 (# 333:20 Unique 2.74, 6.24 A)
&rst
ixpk= 333, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 993, 994, 995, 997, 998, 999,
igr2= 946, 947,
&end
#
# 0 AMB 20-2:334 0 AMB 20-1:334 6.00 (# 334:20 Double Ambig)
&rst
ixpk= 334, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.00, r4=12.50,
igr1= 635, 636, 563, 564, 745, 746, 674, 675,
igr2= 696, 697, 696, 697, 696, 697, 696, 697,
&end
#
# 0 AMB 20-2:335 0 AMB 20-1:335 6.00 (# 335:20 Double Ambig)
&rst
ixpk= 335, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 671, 672, 742, 743, 742, 743,
igr2= 696, 697, 696, 697, 696, 697,
&end
#
# 0 AMB 20-2:336 0 AMB 20-1:336 8.00 (# 336:20 Double Ambig)
&rst
ixpk= 336, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.70, r4=13.20,
igr1= 748, 749, 748, 749,
igr2= 696, 697, 696, 697,
&end
#
# 143 GLU HB+ 143 GLU HG+ 4.50 (# 337:20 Unique 2.28, 2.63 A)
&rst
ixpk= 337, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 693, 694,
igr2= 696, 697,
&end
#
# 0 AMB 20-2:338 0 AMB 20-1:338 4.50 (# 338:20 Double Ambig)
&rst
ixpk= 338, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 428, 429, 430, 563, 564,
igr2= 696, 697, 696, 697,
&end
#
# 0 AMB 20-2:339 0 AMB 20-1:339 6.00 (# 339:20 Double Ambig)
&rst
ixpk= 339, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 638, 717, 718, 719,
igr2= 696, 697, 696, 697,
&end
#
# 0 AMB 20-2:340 0 AMB 20-1:340 6.00 (# 340:20 Double Ambig)
&rst
ixpk= 340, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
igr1= 897, 898, 899,1013,1014,
igr2= 963, 964, 963, 964,
&end
#
# 160 GLN HB- 160 GLN HG+ 3.50 (# 341:20 Unique 2.38, 2.61 A)
&rst
ixpk= 341, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 960, 961,
igr2= 963, 964,
&end
#
# 0 AMB 20-2:342 0 AMB 20-1:342 6.00 (# 342:20 Double Ambig)
&rst
ixpk= 342, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1032,1033,1032,1033,
igr2= 963, 964, 963, 964,
&end
#
# 0 AMB 20-2:343 0 AMB 20-1:343 6.00 (# 343:20 Double Ambig)
&rst
ixpk= 343, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1029,1030,1159,1160,
igr2= 963, 964, 963, 964,
&end
#
# 163 ILE QD1 160 GLN HG+ 6.00 (# 344:20 Unique 3.09, 5.49 A)
&rst
ixpk= 344, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1016,1017,1018,
igr2= 963, 964,
&end
#
# 120 LEU MDY 150 LEU HB+ 8.00 (# 345:20 Unique 2.22, 6.56 A)
&rst
ixpk= 345, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1= 312, 313, 314, 316, 317, 318,
igr2= 797, 798,
&end
#
# 150 LEU MDY 150 LEU HB+ 3.50 (# 346:20 Unique 2.34, 3.30 A)
&rst
ixpk= 346, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 802, 803, 804, 806, 807, 808,
igr2= 797, 798,
&end
#
# 179 LEU HG 179 LEU HB+ 4.50 (# 347:20 Unique 2.41, 2.80 A)
&rst
ixpk= 347, nxpk= 20, iat=1301, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1298,1299,
&end
#
# 0 AMB 20-2:348 0 AMB 20-1:348 6.00 (# 348:20 Double Ambig)
&rst
ixpk= 348, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1=1117,1118,1119,1121,1122,1123, 445, 446, 447, 449,
450, 451,
igr2=1258,1259,1258,1259,
&end
#
# 0 AMB 20-2:349 0 AMB 20-1:349 6.00 (# 349:20 Double Ambig)
&rst
ixpk= 349, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1=1117,1118,1119,1121,1122,1123, 445, 446, 447, 449,
450, 451,
igr2=1258,1259,1258,1259,
&end
#
# 0 AMB 20-2:350 0 AMB 20-1:350 6.00 (# 350:20 Double Ambig)
&rst
ixpk= 350, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 559, 560, 561,1117,1118,1119,1121,1122,1123,
igr2=1258,1259,1258,1259,
&end
#
# 179 LEU HG 179 LEU HB- 4.50 (# 351:20 Unique 2.41, 2.80 A)
&rst
ixpk= 351, nxpk= 20, iat=1301, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1298,1299,
&end
#
# 0 AMB 20-2:352 179 LEU HB- 2.80 (# 352:20 Single Ambig)
&rst
ixpk= 352, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1303,1304,1305,1307,1308,1309,1303,1304,1305,1307,
1308,1309,1117,1118,1119,1121,1122,1123,
igr2=1298,1299,
&end
#
# 0 AMB 20-2:353 0 AMB 20-1:353 2.80 (# 353:20 Double Ambig)
&rst
ixpk= 353, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1303,1304,1305,1307,1308,1309,1303,1304,1305,1307,
1308,1309,1117,1118,1119,1121,1122,1123,
igr2=1298,1299,1298,1299,1298,1299,
&end
#
# 0 AMB 20-2:354 178 ILE HB 6.00 (# 354:20 Single Ambig)
&rst
ixpk= 354, nxpk= 20, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 545,1277,
&end
#
# 134 ALA MB 178 ILE HB 4.50 (# 355:20 Unique 2.50, 3.45 A)
&rst
ixpk= 355, nxpk= 20, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 547, 548, 549,
&end
#
# 0 AMB 20-2:356 178 ILE HB 6.00 (# 356:20 Single Ambig)
&rst
ixpk= 356, nxpk= 20, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 545,1277,
&end
#
# 0 AMB 20-2:357 0 AMB 20-1:357 6.00 (# 357:20 Double Ambig)
&rst
ixpk= 357, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1241,1242,1178,1179,
igr2=1189,1190,1189,1190,
&end
#
# 173 TYR HA 173 TYR HB+ 4.50 (# 358:20 Unique 2.33, 2.75 A)
&rst
ixpk= 358, nxpk= 20, iat=1187, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1189,1190,
&end
#
# 176 GLN HG+ 173 TYR HB+ 4.50 (# 359:20 Unique 2.60, 4.63 A)
&rst
ixpk= 359, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1244,1245,
igr2=1189,1190,
&end
#
# 135 ILE HG1- 135 ILE HB 4.50 (# 360:20 Unique 2.51, 2.79 A)
&rst
ixpk= 360, nxpk= 20, iat= -1, 557, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 563, 564,
&end
#
# 135 ILE QG2 135 ILE HB 3.50 (# 361:20 Unique 2.44, 2.67 A)
&rst
ixpk= 361, nxpk= 20, iat= -1, 557, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 559, 560, 561,
&end
#
# 135 ILE QD1 135 ILE HB 3.50 (# 362:20 Unique 2.44, 3.08 A)
&rst
ixpk= 362, nxpk= 20, iat= -1, 557, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 566, 567, 568,
&end
#
# 0 AMB 20-2:363 0 AMB 20-1:363 4.50 (# 363:20 Double Ambig)
&rst
ixpk= 363, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.39, r4= 8.89,
igr1=1303,1304,1305,1307,1308,1309, 638,
igr2= 440, 441, 440, 441, 635, 636,
&end
#
# 0 AMB 20-2:364 0 AMB 20-1:364 4.50 (# 364:20 Double Ambig)
&rst
ixpk= 364, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1=1117,1118,1119,1121,1122,1123, 991,
igr2= 988, 989, 988, 989,
&end
#
# 0 AMB 20-2:365 0 AMB 20-1:365 8.00 (# 365:20 Double Ambig)
&rst
ixpk= 365, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.18, r4=13.68,
igr1=1013,1014, 375, 376, 377,
igr2= 988, 989, 988, 989,
&end
#
# 162 LEU MDX 162 LEU HB+ 6.00 (# 366:20 Unique 2.39, 3.31 A)
&rst
ixpk= 366, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 993, 994, 995, 997, 998, 999,
igr2= 988, 989,
&end
#
# 186 LEU HA 186 LEU HB+ 3.50 (# 367:20 Unique 2.25, 2.69 A)
&rst
ixpk= 367, nxpk= 20, iat=1397, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1399,1400,
&end
#
# 0 AMB 20-2:368 0 AMB 20-1:368 2.80 (# 368:20 Double Ambig)
&rst
ixpk= 368, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1404,1405,1406,1408,1409,1410,1404,1405,1406,1408,
1409,1410,
igr2=1399,1400,1399,1400,
&end
#
# 186 LEU HA 186 LEU HB- 3.50 (# 369:20 Unique 2.25, 2.69 A)
&rst
ixpk= 369, nxpk= 20, iat=1397, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1399,1400,
&end
#
# 0 AMB 20-2:370 186 LEU HB- 2.80 (# 370:20 Single Ambig)
&rst
ixpk= 370, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1404,1405,1406,1408,1409,1410,1404,1405,1406,1408,
1409,1410,
igr2=1399,1400,
&end
#
# 0 AMB 20-2:371 0 AMB 20-1:371 8.00 (# 371:20 Double Ambig)
&rst
ixpk= 371, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1= 633, 596,
igr2= 635, 636, 635, 636,
&end
#
# 152 ILE QG2 152 ILE HB 4.50 (# 372:20 Unique 2.33, 2.65 A)
&rst
ixpk= 372, nxpk= 20, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 833, 834, 835,
&end
#
# 182 GLU HA 183 ILE HB 6.00 (# 373:20 Unique 3.87, 4.31 A)
&rst
ixpk= 373, nxpk= 20, iat=1337,1354, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 183 ILE HA 183 ILE HB 3.50 (# 374:20 Unique 2.35, 2.60 A)
&rst
ixpk= 374, nxpk= 20, iat=1352,1354, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:375 183 ILE HB 6.00 (# 375:20 Single Ambig)
&rst
ixpk= 375, nxpk= 20, iat= -1,1354, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1376,1377,1103,1104,1342,1343,
&end
#
# 0 AMB 20-2:376 183 ILE HB 6.00 (# 376:20 Single Ambig)
&rst
ixpk= 376, nxpk= 20, iat= -1,1354, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1339,1340,1373,1374,
&end
#
# 0 AMB 20-2:377 183 ILE HB 3.50 (# 377:20 Single Ambig)
&rst
ixpk= 377, nxpk= 20, iat= -1,1354, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1360,1361, 462, 463,
&end
#
# 183 ILE HG1+ 183 ILE HB 3.50 (# 378:20 Unique 2.38, 2.77 A)
&rst
ixpk= 378, nxpk= 20, iat= -1,1354, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1360,1361,
&end
#
# 183 ILE QG2 183 ILE HB 2.80 (# 379:20 Unique 2.38, 2.66 A)
&rst
ixpk= 379, nxpk= 20, iat= -1,1354, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1356,1357,1358,
&end
#
# 0 AMB 20-2:380 183 ILE HB 3.50 (# 380:20 Single Ambig)
&rst
ixpk= 380, nxpk= 20, iat= -1,1354, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1363,1364,1365, 387, 388, 389,
&end
#
# 160 GLN HA 163 ILE HB 6.00 (# 381:20 Unique 2.12, 2.22 A)
&rst
ixpk= 381, nxpk= 20, iat= 958,1007, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 163 ILE HG1+ 163 ILE HB 6.00 (# 382:20 Unique 2.57, 2.83 A)
&rst
ixpk= 382, nxpk= 20, iat= -1,1007, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1013,1014,
&end
#
# 163 ILE HA 163 ILE HB 6.00 (# 383:20 Unique 3.02, 3.02 A)
&rst
ixpk= 383, nxpk= 20, iat=1005,1007, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 163 ILE QG2 163 ILE HB 3.50 (# 384:20 Unique 2.42, 2.66 A)
&rst
ixpk= 384, nxpk= 20, iat= -1,1007, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1009,1010,1011,
&end
#
# 0 AMB 20-2:385 163 ILE HB 6.00 (# 385:20 Single Ambig)
&rst
ixpk= 385, nxpk= 20, iat= -1,1007, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1013,1014,1029,1030,
&end
#
# 0 AMB 20-2:386 144 ILE HB 8.00 (# 386:20 Single Ambig)
&rst
ixpk= 386, nxpk= 20, iat= -1, 708, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04,
igr1= 840, 841, 842, 312, 313, 314, 316, 317, 318,
&end
#
# 0 AMB 20-2:387 168 GLU HG- 6.00 (# 387:20 Single Ambig)
&rst
ixpk= 387, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1=1303,1304,1305,1307,1308,1309,1303,1304,1305,1307,
1308,1309,1117,1118,1119,1121,1122,1123,
igr2=1103,1104,
&end
#
# 0 AMB 20-2:388 168 GLU HG- 6.00 (# 388:20 Single Ambig)
&rst
ixpk= 388, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1=1303,1304,1305,1307,1308,1309,1303,1304,1305,1307,
1308,1309,1117,1118,1119,1121,1122,1123,
igr2=1103,1104,
&end
#
# 0 AMB 20-2:389 143 GLU HG- 6.00 (# 389:20 Single Ambig)
&rst
ixpk= 389, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 671, 672, 742, 743, 742, 743, 714, 715,
igr2= 696, 697,
&end
#
# 150 LEU MDX 151 GLU HG- 6.00 (# 390:20 Unique 4.59, 7.86 A)
&rst
ixpk= 390, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 802, 803, 804, 806, 807, 808,
igr2= 819, 820,
&end
#
# 0 AMB 20-2:391 143 GLU HG- 6.00 (# 391:20 Single Ambig)
&rst
ixpk= 391, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 748, 749, 748, 749, 677, 678,
igr2= 696, 697,
&end
#
# 143 GLU HA 143 GLU HG- 3.50 (# 392:20 Unique 2.28, 3.21 A)
&rst
ixpk= 392, nxpk= 20, iat= 691, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 696, 697,
&end
#
# 0 AMB 20-2:393 143 GLU HG- 4.50 (# 393:20 Single Ambig)
&rst
ixpk= 393, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 428, 429, 430, 563, 564,
igr2= 696, 697,
&end
#
# 135 ILE QG2 143 GLU HG- 6.00 (# 394:20 Unique 5.28, 7.36 A)
&rst
ixpk= 394, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 559, 560, 561,
igr2= 696, 697,
&end
#
# 180 GLU HA 180 GLU HG+ 4.50 (# 395:20 Unique 2.36, 2.76 A)
&rst
ixpk= 395, nxpk= 20, iat=1315, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1320,1321,
&end
#
# 0 AMB 20-2:396 0 AMB 20-1:396 6.00 (# 396:20 Double Ambig)
&rst
ixpk= 396, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1140,1141,1140,1141,
igr2=1320,1321,1320,1321,
&end
#
# 0 AMB 20-2:397 0 AMB 20-1:397 4.50 (# 397:20 Double Ambig)
&rst
ixpk= 397, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1134,1135,1134,1135,1301,
igr2=1320,1321,1320,1321,1320,1321,
&end
#
# 178 ILE QG2 180 GLU HG+ 3.50 (# 398:20 Unique 2.61, 4.75 A)
&rst
ixpk= 398, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1281,1282,1283,
igr2=1320,1321,
&end
#
# 178 ILE HG1+ 180 GLU HG+ 6.00 (# 399:20 Unique 2.70, 4.59 A)
&rst
ixpk= 399, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1285,1286,
igr2=1320,1321,
&end
#
# 180 GLU HA 180 GLU HG- 3.50 (# 400:20 Unique 2.36, 2.76 A)
&rst
ixpk= 400, nxpk= 20, iat=1315, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1320,1321,
&end
#
# 0 AMB 20-2:401 0 AMB 20-1:401 6.00 (# 401:20 Double Ambig)
&rst
ixpk= 401, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1140,1141,1140,1141, 252, 253,
igr2=1320,1321, 819, 820,
&end
#
# 0 AMB 20-2:402 180 GLU HG- 4.50 (# 402:20 Single Ambig)
&rst
ixpk= 402, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1134,1135,1134,1135,1301,
igr2=1320,1321,
&end
#
# 178 ILE HG1+ 180 GLU HG- 6.00 (# 403:20 Unique 2.70, 4.59 A)
&rst
ixpk= 403, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1285,1286,
igr2=1320,1321,
&end
#
# 178 ILE QG2 180 GLU HG- 3.50 (# 404:20 Unique 2.61, 4.75 A)
&rst
ixpk= 404, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1281,1282,1283,
igr2=1320,1321,
&end
#
# 0 AMB 20-2:405 180 GLU HG- 6.00 (# 405:20 Single Ambig)
&rst
ixpk= 405, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1098,1330,1331,
igr2=1320,1321,
&end
#
# 151 GLU HA 151 GLU HG+ 4.50 (# 406:20 Unique 2.44, 3.23 A)
&rst
ixpk= 406, nxpk= 20, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 819, 820,
&end
#
# 0 AMB 20-2:407 0 AMB 20-1:407 3.50 (# 407:20 Double Ambig)
&rst
ixpk= 407, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 816, 817,1131,1132,
igr2= 819, 820,1320,1321,
&end
#
# 151 GLU HA 151 GLU HG- 4.50 (# 408:20 Unique 2.44, 3.23 A)
&rst
ixpk= 408, nxpk= 20, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 819, 820,
&end
#
# 0 AMB 20-2:409 151 GLU HG- 3.50 (# 409:20 Single Ambig)
&rst
ixpk= 409, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 816, 817, 816, 817,
igr2= 819, 820,
&end
#
# 150 LEU MDX 151 GLU HG- 6.00 (# 410:20 Unique 4.59, 7.86 A)
&rst
ixpk= 410, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 802, 803, 804, 806, 807, 808,
igr2= 819, 820,
&end
#
# 122 GLU HA 122 GLU HG+ 3.50 (# 411:20 Unique 2.41, 3.26 A)
&rst
ixpk= 411, nxpk= 20, iat= 348, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 353, 354,
&end
#
# 0 AMB 20-2:412 0 AMB 20-1:412 6.00 (# 412:20 Double Ambig)
&rst
ixpk= 412, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
igr1= 407, 408, 365, 366, 367,
igr2= 353, 354, 353, 354,
&end
#
# 0 AMB 20-2:413 0 AMB 20-1:413 2.80 (# 413:20 Double Ambig)
&rst
ixpk= 413, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 350, 351, 350, 351, 620, 621,
igr2= 353, 354, 353, 354, 623, 624,
&end
#
# 0 AMB 20-2:414 0 AMB 20-1:414 3.50 (# 414:20 Double Ambig)
&rst
ixpk= 414, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 618, 363,
igr2= 623, 624, 353, 354,
&end
#
# 0 AMB 20-2:415 0 AMB 20-1:415 6.00 (# 415:20 Double Ambig)
&rst
ixpk= 415, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 582, 583, 404, 405,
igr2= 623, 624, 353, 354,
&end
#
# 135 ILE QG2 139 GLU HG- 6.00 (# 416:20 Unique 6.95, 7.80 A)
&rst
ixpk= 416, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 559, 560, 561,
igr2= 623, 624,
&end
#
# 135 ILE QD1 139 GLU HG- 4.50 (# 417:20 Unique 4.46, 5.93 A)
&rst
ixpk= 417, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 566, 567, 568,
igr2= 623, 624,
&end
#
# 0 AMB 20-2:418 0 AMB 20-1:418 6.00 (# 418:20 Double Ambig)
&rst
ixpk= 418, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 294, 295, 585, 586, 585, 586,
igr2= 353, 354, 623, 624,
&end
#
# 135 ILE HG1- 139 GLU HG- 6.00 (# 419:20 Unique 3.72, 4.64 A)
&rst
ixpk= 419, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 563, 564,
igr2= 623, 624,
&end
#
# 0 AMB 20-2:420 143 GLU HG- 6.00 (# 420:20 Single Ambig)
&rst
ixpk= 420, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 635, 636, 674, 675,
igr2= 696, 697,
&end
#
# 135 ILE QD1 139 GLU HG+ 4.50 (# 421:20 Unique 4.46, 5.93 A)
&rst
ixpk= 421, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 566, 567, 568,
igr2= 623, 624,
&end
#
# 183 ILE QG2 184 GLU HG+ 6.00 (# 422:20 Unique 2.30, 5.30 A)
&rst
ixpk= 422, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1356,1357,1358,
igr2=1376,1377,
&end
#
# 183 ILE QG2 184 GLU HG- 6.00 (# 423:20 Unique 2.30, 5.30 A)
&rst
ixpk= 423, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1356,1357,1358,
igr2=1376,1377,
&end
#
# 187 GLU HB+ 187 GLU HG+ 2.80 (# 424:20 Unique 2.32, 2.65 A)
&rst
ixpk= 424, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1418,1419,
igr2=1421,1422,
&end
#
# 125 ILE HA 125 ILE HB 6.00 (# 425:20 Unique 2.60, 2.93 A)
&rst
ixpk= 425, nxpk= 20, iat= 383, 385, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 122 GLU HA 125 ILE HB 6.00 (# 426:20 Unique 2.63, 3.41 A)
&rst
ixpk= 426, nxpk= 20, iat= 348, 385, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:427 125 ILE HB 6.00 (# 427:20 Single Ambig)
&rst
ixpk= 427, nxpk= 20, iat= -1, 385, r1= 1.30, r2= 1.80, r3= 8.95, r4= 9.45,
igr1= 375, 376, 377, 462, 463, 410, 411, 410, 411, 465,
466,
&end
#
# 125 ILE HG1+ 125 ILE HB 6.00 (# 428:20 Unique 2.40, 2.77 A)
&rst
ixpk= 428, nxpk= 20, iat= -1, 385, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 391, 392,
&end
#
# 125 ILE HG1- 125 ILE HB 3.50 (# 429:20 Unique 2.40, 2.77 A)
&rst
ixpk= 429, nxpk= 20, iat= -1, 385, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 391, 392,
&end
#
# 125 ILE QG2 125 ILE HB 3.50 (# 430:20 Unique 2.40, 2.65 A)
&rst
ixpk= 430, nxpk= 20, iat= -1, 385, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 387, 388, 389,
&end
#
# 125 ILE QD1 125 ILE HB 4.50 (# 431:20 Unique 2.42, 3.21 A)
&rst
ixpk= 431, nxpk= 20, iat= -1, 385, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 394, 395, 396,
&end
#
# 125 ILE HA 125 ILE HB 6.00 (# 432:20 Unique 2.60, 2.93 A)
&rst
ixpk= 432, nxpk= 20, iat= 383, 385, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:433 0 AMB 20-1:433 6.00 (# 433:20 Double Ambig)
&rst
ixpk= 433, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 413, 414, 413, 414,
igr2= 353, 354, 353, 354,
&end
#
# 0 AMB 20-2:434 0 AMB 20-1:434 4.50 (# 434:20 Double Ambig)
&rst
ixpk= 434, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 563, 564, 391, 392,
igr2= 623, 624,1376,1377,
&end
#
# 139 GLU HA 139 GLU HG+ 3.50 (# 435:20 Unique 3.03, 3.49 A)
&rst
ixpk= 435, nxpk= 20, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 623, 624,
&end
#
# 0 AMB 20-2:436 0 AMB 20-1:436 4.50 (# 436:20 Double Ambig)
&rst
ixpk= 436, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 680, 681, 680, 681,
igr2= 623, 624, 623, 624,
&end
#
# 0 AMB 20-2:437 0 AMB 20-1:437 4.50 (# 437:20 Double Ambig)
&rst
ixpk= 437, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1371, 609, 610, 609, 610,
igr2=1376,1377, 623, 624, 623, 624,
&end
#
# 184 GLU HA 184 GLU HG- 4.50 (# 438:20 Unique 2.37, 3.35 A)
&rst
ixpk= 438, nxpk= 20, iat=1371, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1376,1377,
&end
#
# 122 GLU HA 122 GLU HG- 3.50 (# 439:20 Unique 2.41, 3.26 A)
&rst
ixpk= 439, nxpk= 20, iat= 348, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 353, 354,
&end
#
# 0 AMB 20-2:440 0 AMB 20-1:440 6.00 (# 440:20 Double Ambig)
&rst
ixpk= 440, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 413, 414, 413, 414, 468, 469,
igr2= 353, 354,1376,1377,
&end
#
# 0 AMB 20-2:441 0 AMB 20-1:441 2.80 (# 441:20 Double Ambig)
&rst
ixpk= 441, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=1339,1340,1339,1340, 326, 327, 459, 460,
igr2=1342,1343,1376,1377, 353, 354,1342,1343,
&end
#
# 0 AMB 20-2:442 182 GLU HG- 4.50 (# 442:20 Single Ambig)
&rst
ixpk= 442, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1337,1386,
igr2=1342,1343,
&end
#
# 187 GLU HA 187 GLU HG- 4.50 (# 443:20 Unique 2.39, 3.33 A)
&rst
ixpk= 443, nxpk= 20, iat=1416, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1421,1422,
&end
#
# 181 GLY HA+ 182 GLU HG- 6.00 (# 444:20 Unique 3.69, 5.38 A)
&rst
ixpk= 444, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1330,1331,
igr2=1342,1343,
&end
#
# 0 AMB 20-2:445 0 AMB 20-1:445 2.80 (# 445:20 Double Ambig)
&rst
ixpk= 445, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1339,1340,1418,1419, 459, 460,
igr2=1342,1343,1421,1422,
&end
#
# 187 GLU HA 187 GLU HG+ 4.50 (# 446:20 Unique 2.39, 3.33 A)
&rst
ixpk= 446, nxpk= 20, iat=1416, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1421,1422,
&end
#
# 0 AMB 20-2:447 0 AMB 20-1:447 2.80 (# 447:20 Double Ambig)
&rst
ixpk= 447, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1373,1374,1339,1340,
igr2=1376,1377,1376,1377,
&end
#
# 127 THR MG2 147 GLU HG- 6.00 (# 448:20 Unique 3.73, 5.96 A)
&rst
ixpk= 448, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 428, 429, 430,
igr2= 767, 768,
&end
#
# 0 AMB 20-2:449 0 AMB 20-1:449 3.50 (# 449:20 Double Ambig)
&rst
ixpk= 449, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1337,1386,
igr2=1342,1343,1376,1377,1342,1343,
&end
#
# 0 AMB 20-2:450 0 AMB 20-1:450 2.80 (# 450:20 Double Ambig)
&rst
ixpk= 450, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1373,1374,1339,1340,
igr2=1376,1377,1342,1343,1342,1343,
&end
#
# 0 AMB 20-2:451 0 AMB 20-1:451 3.50 (# 451:20 Double Ambig)
&rst
ixpk= 451, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1339,1340,1373,1374,
igr2=1342,1343,1421,1422,
&end
#
# 147 GLU HA 147 GLU HG+ 3.50 (# 452:20 Unique 2.38, 3.31 A)
&rst
ixpk= 452, nxpk= 20, iat= 762, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 767, 768,
&end
#
# 123 ALA MB 147 GLU HG+ 3.50 (# 453:20 Unique 2.38, 4.26 A)
&rst
ixpk= 453, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 365, 366, 367,
igr2= 767, 768,
&end
#
# 147 GLU HA 147 GLU HG- 3.50 (# 454:20 Unique 2.38, 3.31 A)
&rst
ixpk= 454, nxpk= 20, iat= 762, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 767, 768,
&end
#
# 123 ALA MB 147 GLU HG- 3.50 (# 455:20 Unique 2.38, 4.26 A)
&rst
ixpk= 455, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 365, 366, 367,
igr2= 767, 768,
&end
#
# 0 AMB 20-2:456 147 GLU HG- 6.00 (# 456:20 Single Ambig)
&rst
ixpk= 456, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 779, 780, 779, 780,
igr2= 767, 768,
&end
#
# 144 ILE HA 147 GLU HG+ 8.00 (# 457:20 Unique 3.82, 4.42 A)
&rst
ixpk= 457, nxpk= 20, iat= 706, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 767, 768,
&end
#
# 170 LYS HG+ 170 LYS HB+ 4.50 (# 458:20 Unique 2.41, 2.77 A)
&rst
ixpk= 458, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1134,1135,
igr2=1131,1132,
&end
#
# 178 ILE QG2 170 LYS HB+ 4.50 (# 459:20 Unique 2.18, 3.27 A)
&rst
ixpk= 459, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1281,1282,1283,
igr2=1131,1132,
&end
#
# 0 AMB 20-2:460 170 LYS HB- 4.50 (# 460:20 Single Ambig)
&rst
ixpk= 460, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1134,1135,1134,1135,
igr2=1131,1132,
&end
#
# 178 ILE QG2 170 LYS HB- 4.50 (# 461:20 Unique 2.18, 3.27 A)
&rst
ixpk= 461, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1281,1282,1283,
igr2=1131,1132,
&end
#
# 163 ILE QG2 170 LYS HB- 6.00 (# 462:20 Unique 5.68, 7.08 A)
&rst
ixpk= 462, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1009,1010,1011,
igr2=1131,1132,
&end
#
# 163 ILE QG2 170 LYS HB- 6.00 (# 463:20 Unique 5.68, 7.08 A)
&rst
ixpk= 463, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1009,1010,1011,
igr2=1131,1132,
&end
#
# 0 AMB 20-2:464 170 LYS HB- 8.00 (# 464:20 Single Ambig)
&rst
ixpk= 464, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1=1140,1141,1140,1141,
igr2=1131,1132,
&end
#
# 166 TYR HB+ 165 MET HB- 6.00 (# 465:20 Unique 4.04, 5.24 A)
&rst
ixpk= 465, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1065,1066,
igr2=1048,1049,
&end
#
# 165 MET HA 165 MET HB+ 3.50 (# 466:20 Unique 2.39, 2.76 A)
&rst
ixpk= 466, nxpk= 20, iat=1046, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1048,1049,
&end
#
# 162 LEU HA 165 MET HB- 6.00 (# 467:20 Unique 2.53, 3.54 A)
&rst
ixpk= 467, nxpk= 20, iat= 986, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1048,1049,
&end
#
# 0 AMB 20-2:468 165 MET HB- 6.00 (# 468:20 Single Ambig)
&rst
ixpk= 468, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.31, r4= 9.81,
igr1= 991,1117,1118,1119,1121,1122,1123,
igr2=1048,1049,
&end
#
# 165 MET HG+ 165 MET HB- 4.50 (# 469:20 Unique 2.34, 2.76 A)
&rst
ixpk= 469, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1051,1052,
igr2=1048,1049,
&end
#
# 165 MET HA 165 MET HB- 4.50 (# 470:20 Unique 2.39, 2.76 A)
&rst
ixpk= 470, nxpk= 20, iat=1046, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1048,1049,
&end
#
# 0 AMB 20-2:471 165 MET HB- 6.00 (# 471:20 Single Ambig)
&rst
ixpk= 471, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.31, r4= 9.81,
igr1= 991,1117,1118,1119,1121,1122,1123,
igr2=1048,1049,
&end
#
# 160 GLN HB+ 160 GLN HG- 3.50 (# 472:20 Unique 2.38, 2.61 A)
&rst
ixpk= 472, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 960, 961,
igr2= 963, 964,
&end
#
# 160 GLN HB- 160 GLN HG- 3.50 (# 473:20 Unique 2.38, 2.61 A)
&rst
ixpk= 473, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 960, 961,
igr2= 963, 964,
&end
#
# 0 AMB 20-2:474 160 GLN HG- 6.00 (# 474:20 Single Ambig)
&rst
ixpk= 474, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1159,1160, 943, 944,1013,1014,
igr2= 963, 964,
&end
#
# 0 AMB 20-2:475 160 GLN HG- 6.00 (# 475:20 Single Ambig)
&rst
ixpk= 475, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1= 897, 898, 899,1013,1014,
igr2= 963, 964,
&end
#
# 0 AMB 20-2:476 160 GLN HG- 6.00 (# 476:20 Single Ambig)
&rst
ixpk= 476, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=2338, 975,
igr2= 963, 964,
&end
#
# 0 AMB 20-2:477 160 GLN HG- 3.50 (# 477:20 Single Ambig)
&rst
ixpk= 477, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 958, 907,
igr2= 963, 964,
&end
#
# 163 ILE QD1 160 GLN HG- 6.00 (# 478:20 Unique 3.09, 5.49 A)
&rst
ixpk= 478, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1016,1017,1018,
igr2= 963, 964,
&end
#
# 165 MET HG+ 165 MET HB+ 4.50 (# 479:20 Unique 2.34, 2.76 A)
&rst
ixpk= 479, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1051,1052,
igr2=1048,1049,
&end
#
# 0 AMB 20-2:480 136 LYS HB- 6.00 (# 480:20 Single Ambig)
&rst
ixpk= 480, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1= 596, 607,1232,1233, 633,
igr2= 576, 577,
&end
#
# 0 AMB 20-2:481 0 AMB 20-1:481 6.00 (# 481:20 Double Ambig)
&rst
ixpk= 481, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1=1241,1242, 576, 577, 582, 583,
igr2=1244,1245,1244,1245,1244,1245,
&end
#
# 134 ALA MB 176 GLN HG+ 6.00 (# 482:20 Unique 4.80, 7.03 A)
&rst
ixpk= 482, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 547, 548, 549,
igr2=1244,1245,
&end
#
# 173 TYR HB- 176 GLN HG+ 6.00 (# 483:20 Unique 2.60, 4.63 A)
&rst
ixpk= 483, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1189,1190,
igr2=1244,1245,
&end
#
# 176 GLN HB+ 176 GLN HG+ 4.50 (# 484:20 Unique 2.37, 2.77 A)
&rst
ixpk= 484, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1241,1242,
igr2=1244,1245,
&end
#
# 173 TYR HB+ 176 GLN HG+ 6.00 (# 485:20 Unique 2.60, 4.63 A)
&rst
ixpk= 485, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1189,1190,
igr2=1244,1245,
&end
#
# 0 AMB 20-2:486 0 AMB 20-1:486 6.00 (# 486:20 Double Ambig)
&rst
ixpk= 486, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 585, 586, 585, 586, 585, 586,
igr2= 576, 577, 576, 577,1244,1245,
&end
#
# 134 ALA MB 0 AMB 20-1:487 6.00 (# 487:20 Single Ambig)
&rst
ixpk= 487, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 547, 548, 549,
igr2=1244,1245, 576, 577,
&end
#
# 0 AMB 20-2:488 0 AMB 20-1:488 4.50 (# 488:20 Double Ambig)
&rst
ixpk= 488, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1241,1242, 563, 564,
igr2=1244,1245, 576, 577,
&end
#
# 0 AMB 20-2:489 0 AMB 20-1:489 3.50 (# 489:20 Double Ambig)
&rst
ixpk= 489, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 579, 580, 579, 580,
igr2= 576, 577,1244,1245,
&end
#
# 135 ILE QG2 0 AMB 20-1:490 6.00 (# 490:20 Single Ambig)
&rst
ixpk= 490, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 559, 560, 561,
igr2= 576, 577,1244,1245,
&end
#
# 163 ILE QD1 171 LYS HB+ 4.50 (# 491:20 Unique 2.32, 3.72 A)
&rst
ixpk= 491, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1016,1017,1018,
igr2=1153,1154,
&end
#
# 0 AMB 20-2:492 136 LYS HB- 6.00 (# 492:20 Single Ambig)
&rst
ixpk= 492, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 585, 586, 585, 586,
igr2= 576, 577,
&end
#
# 139 GLU HG- 136 LYS HB- 6.00 (# 493:20 Unique 2.33, 3.73 A)
&rst
ixpk= 493, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 623, 624,
igr2= 576, 577,
&end
#
# 0 AMB 20-2:494 171 LYS HB- 6.00 (# 494:20 Single Ambig)
&rst
ixpk= 494, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1159,1160,1159,1160,
igr2=1153,1154,
&end
#
# 171 LYS HG- 171 LYS HB- 8.00 (# 495:20 Unique 2.32, 2.78 A)
&rst
ixpk= 495, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1156,1157,
igr2=1153,1154,
&end
#
# 139 GLU HG- 136 LYS HB- 6.00 (# 496:20 Unique 2.33, 3.73 A)
&rst
ixpk= 496, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 623, 624,
igr2= 576, 577,
&end
#
# 163 ILE QD1 171 LYS HB- 6.00 (# 497:20 Unique 2.32, 3.72 A)
&rst
ixpk= 497, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1016,1017,1018,
igr2=1153,1154,
&end
#
# 176 GLN HG+ 176 GLN HB+ 6.00 (# 498:20 Unique 2.37, 2.77 A)
&rst
ixpk= 498, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1244,1245,
igr2=1241,1242,
&end
#
# 134 ALA MB 176 GLN HB+ 6.00 (# 499:20 Unique 3.15, 5.30 A)
&rst
ixpk= 499, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 547, 548, 549,
igr2=1241,1242,
&end
#
# 134 ALA MB 176 GLN HB+ 6.00 (# 500:20 Unique 3.15, 5.30 A)
&rst
ixpk= 500, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 547, 548, 549,
igr2=1241,1242,
&end
#
# 126 LYS HA 126 LYS HB- 3.50 (# 501:20 Unique 2.47, 2.78 A)
&rst
ixpk= 501, nxpk= 20, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 404, 405,
&end
#
# 0 AMB 20-2:502 0 AMB 20-1:502 2.80 (# 502:20 Double Ambig)
&rst
ixpk= 502, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1= 465, 466, 465, 466, 465, 466, 288, 289,1029,1030,
1029,1030,
igr2= 459, 460, 459, 460, 459, 460, 285, 286,1026,1027,
1026,1027,
&end
#
# 0 AMB 20-2:503 0 AMB 20-1:503 4.50 (# 503:20 Double Ambig)
&rst
ixpk= 503, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1=1303,1304,1305,1307,1308,1309,1303,1304,1305,1307,
1308,1309,
igr2= 459, 460, 459, 460, 459, 460,
&end
#
# 0 AMB 20-2:504 0 AMB 20-1:504 6.00 (# 504:20 Double Ambig)
&rst
ixpk= 504, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 413, 414, 413, 414,
igr2= 404, 405, 404, 405,
&end
#
# 0 AMB 20-2:505 0 AMB 20-1:505 6.00 (# 505:20 Double Ambig)
&rst
ixpk= 505, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 426, 457,
igr2= 404, 405, 404, 405,
&end
#
# 0 AMB 20-2:506 0 AMB 20-1:506 2.80 (# 506:20 Double Ambig)
&rst
ixpk= 506, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 410, 411, 410, 411,
igr2= 404, 405, 404, 405,
&end
#
# 126 LYS HA 126 LYS HB+ 3.50 (# 507:20 Unique 2.47, 2.78 A)
&rst
ixpk= 507, nxpk= 20, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 404, 405,
&end
#
# 126 LYS HG- 126 LYS HB+ 3.50 (# 508:20 Unique 2.37, 2.77 A)
&rst
ixpk= 508, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 407, 408,
igr2= 404, 405,
&end
#
# 165 MET HB- 165 MET HG+ 3.50 (# 509:20 Unique 2.34, 2.76 A)
&rst
ixpk= 509, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1048,1049,
igr2=1051,1052,
&end
#
# 165 MET HA 165 MET HG+ 4.50 (# 510:20 Unique 2.33, 2.76 A)
&rst
ixpk= 510, nxpk= 20, iat=1046, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1051,1052,
&end
#
# 162 LEU MDX 165 MET HG+ 6.00 (# 511:20 Unique 4.22, 8.13 A)
&rst
ixpk= 511, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 993, 994, 995, 997, 998, 999,
igr2=1051,1052,
&end
#
# 152 ILE QG2 141 GLN HG- 6.00 (# 512:20 Unique 2.32, 4.72 A)
&rst
ixpk= 512, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 833, 834, 835,
igr2= 657, 658,
&end
#
# 142 LYS HG- 0 AMB 20-1:513 6.00 (# 513:20 Single Ambig)
&rst
ixpk= 513, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 674, 675,
igr2= 657, 658, 657, 658,
&end
#
# 0 AMB 20-2:514 0 AMB 20-1:514 6.00 (# 514:20 Double Ambig)
&rst
ixpk= 514, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
igr1= 814, 609, 610, 609, 610,
igr2= 657, 658, 657, 658, 657, 658,
&end
#
# 150 LEU MDY 119 LYS HB- 4.50 (# 515:20 Unique 2.27, 4.71 A)
&rst
ixpk= 515, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 802, 803, 804, 806, 807, 808,
igr2= 285, 286,
&end
#
# 0 AMB 20-2:516 0 AMB 20-1:516 4.50 (# 516:20 Double Ambig)
&rst
ixpk= 516, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.69, r4=10.19,
igr1= 751, 752, 751, 752, 680, 681, 680, 681, 294, 295,
igr2= 742, 743, 742, 743, 671, 672, 671, 672, 285, 286,
&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= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1= 677, 678, 748, 749, 748, 749, 748, 749, 674, 675,
291, 292,
igr2= 671, 672, 742, 743, 742, 743, 742, 743, 671, 672,
285, 286,
&end
#
# 0 AMB 20-2:518 0 AMB 20-1:518 2.80 (# 518:20 Double Ambig)
&rst
ixpk= 518, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 691, 740,
igr2= 742, 743, 742, 743, 742, 743,
&end
#
# 0 AMB 20-2:519 0 AMB 20-1:519 6.00 (# 519:20 Double Ambig)
&rst
ixpk= 519, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.00, r4=12.50,
igr1= 696, 697, 696, 697, 696, 697, 730, 731,
igr2= 671, 672, 742, 743, 742, 743, 671, 672,
&end
#
# 0 AMB 20-2:520 0 AMB 20-1:520 2.80 (# 520:20 Double Ambig)
&rst
ixpk= 520, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 745, 746, 745, 746,
igr2= 742, 743, 742, 743,
&end
#
# 0 AMB 20-2:521 142 LYS HB- 3.50 (# 521:20 Single Ambig)
&rst
ixpk= 521, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 677, 678, 674, 675, 748, 749,
igr2= 671, 672,
&end
#
# 0 AMB 20-2:522 0 AMB 20-1:522 4.50 (# 522:20 Double Ambig)
&rst
ixpk= 522, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.00, r4= 9.50,
igr1=1035,1036,1035,1036,1035,1036, 294, 295,
igr2=1026,1027,1026,1027,1026,1027, 285, 286,
&end
#
# 164 LYS HA 0 AMB 20-1:523 2.80 (# 523:20 Single Ambig)
&rst
ixpk= 523, nxpk= 20, iat=1024, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1026,1027,1026,1027,
&end
#
# 0 AMB 20-2:524 0 AMB 20-1:524 6.00 (# 524:20 Double Ambig)
&rst
ixpk= 524, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.00, r4=12.50,
igr1=1035,1036,1035,1036,1035,1036, 294, 295,
igr2=1026,1027,1026,1027,1026,1027, 285, 286,
&end
#
# 0 AMB 20-2:525 0 AMB 20-1:525 2.80 (# 525:20 Double Ambig)
&rst
ixpk= 525, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 291, 292,1032,1033,1032,1033,1032,1033,
igr2= 285, 286,1026,1027,1026,1027,1026,1027,
&end
#
# 0 AMB 20-2:526 0 AMB 20-1:526 2.80 (# 526:20 Double Ambig)
&rst
ixpk= 526, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 462, 463, 462, 463,1029,1030,
igr2= 459, 460, 459, 460,1026,1027,1026,1027,
&end
#
# 0 AMB 20-2:527 0 AMB 20-1:527 3.50 (# 527:20 Double Ambig)
&rst
ixpk= 527, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 283, 457,
igr2= 285, 286, 459, 460, 459, 460,
&end
#
# 150 LEU MDY 119 LYS HB+ 4.50 (# 528:20 Unique 2.27, 4.71 A)
&rst
ixpk= 528, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 802, 803, 804, 806, 807, 808,
igr2= 285, 286,
&end
#
# 147 GLU HG- 126 LYS HB+ 6.00 (# 529:20 Unique 2.48, 4.11 A)
&rst
ixpk= 529, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 767, 768,
igr2= 404, 405,
&end
#
# 0 AMB 20-2:530 0 AMB 20-1:530 4.50 (# 530:20 Double Ambig)
&rst
ixpk= 530, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 263, 876,
igr2= 853, 854, 853, 854,
&end
#
# 152 ILE QG2 153 PRO HB+ 6.00 (# 531:20 Unique 4.12, 6.00 A)
&rst
ixpk= 531, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 833, 834, 835,
igr2= 853, 854,
&end
#
# 0 AMB 20-2:532 0 AMB 20-1:532 6.00 (# 532:20 Double Ambig)
&rst
ixpk= 532, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 669, 829, 725,
igr2= 657, 658, 657, 658, 657, 658,
&end
#
# 0 AMB 20-2:533 0 AMB 20-1:533 6.00 (# 533:20 Double Ambig)
&rst
ixpk= 533, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 829,1921, 876,
igr2= 657, 658, 657, 658, 657, 658,
&end
#
# 0 AMB 20-2:534 0 AMB 20-1:534 4.50 (# 534:20 Double Ambig)
&rst
ixpk= 534, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 751, 752, 751, 752, 680, 681, 680, 681,
igr2= 742, 743, 742, 743, 671, 672,
&end
#
# 0 AMB 20-2:535 0 AMB 20-1:535 6.00 (# 535:20 Double Ambig)
&rst
ixpk= 535, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1= 696, 697, 696, 697, 696, 697, 730, 731,
igr2= 671, 672, 742, 743, 742, 743,
&end
#
# 153 PRO HA 153 PRO HB- 6.00 (# 536:20 Unique 2.31, 2.70 A)
&rst
ixpk= 536, nxpk= 20, iat= 856, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 853, 854,
&end
#
# 153 PRO HG+ 153 PRO HB- 6.00 (# 537:20 Unique 2.35, 2.62 A)
&rst
ixpk= 537, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 850, 851,
igr2= 853, 854,
&end
#
# 178 ILE QG2 172 PRO HB- 6.00 (# 538:20 Unique 3.94, 5.92 A)
&rst
ixpk= 538, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1281,1282,1283,
igr2=1178,1179,
&end
#
# 113 PRO HA 113 PRO HB+ 3.50 (# 539:20 Unique 2.26, 2.63 A)
&rst
ixpk= 539, nxpk= 20, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 214, 215,
&end
#
# 113 PRO HD+ 113 PRO HB+ 4.50 (# 540:20 Unique 2.73, 3.66 A)
&rst
ixpk= 540, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 208, 209,
igr2= 214, 215,
&end
#
# 172 PRO HD+ 172 PRO HB+ 6.00 (# 541:20 Unique 2.73, 3.65 A)
&rst
ixpk= 541, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1172,1173,
igr2=1178,1179,
&end
#
# 113 PRO HD- 113 PRO HB- 4.50 (# 542:20 Unique 2.73, 3.66 A)
&rst
ixpk= 542, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 208, 209,
igr2= 214, 215,
&end
#
# 172 PRO HG- 172 PRO HB- 4.50 (# 543:20 Unique 2.37, 2.63 A)
&rst
ixpk= 543, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1175,1176,
igr2=1178,1179,
&end
#
# 172 PRO HG+ 172 PRO HB- 4.50 (# 544:20 Unique 2.37, 2.63 A)
&rst
ixpk= 544, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1175,1176,
igr2=1178,1179,
&end
#
# 172 PRO HA 172 PRO HB- 3.50 (# 545:20 Unique 2.25, 2.64 A)
&rst
ixpk= 545, nxpk= 20, iat=1181, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1178,1179,
&end
#
# 113 PRO HD- 113 PRO HB+ 4.50 (# 546:20 Unique 2.73, 3.66 A)
&rst
ixpk= 546, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 208, 209,
igr2= 214, 215,
&end
#
# 113 PRO HA 113 PRO HB- 3.50 (# 547:20 Unique 2.26, 2.63 A)
&rst
ixpk= 547, nxpk= 20, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 214, 215,
&end
#
# 151 GLU HG+ 151 GLU HB+ 3.50 (# 548:20 Unique 2.29, 2.63 A)
&rst
ixpk= 548, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 819, 820,
igr2= 816, 817,
&end
#
# 151 GLU HG- 151 GLU HB+ 3.50 (# 549:20 Unique 2.29, 2.63 A)
&rst
ixpk= 549, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 819, 820,
igr2= 816, 817,
&end
#
# 150 LEU MDX 151 GLU HB+ 6.00 (# 550:20 Unique 4.04, 7.21 A)
&rst
ixpk= 550, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 802, 803, 804, 806, 807, 808,
igr2= 816, 817,
&end
#
# 151 GLU HG- 151 GLU HB- 3.50 (# 551:20 Unique 2.29, 2.63 A)
&rst
ixpk= 551, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 819, 820,
igr2= 816, 817,
&end
#
# 151 GLU HG+ 151 GLU HB- 3.50 (# 552:20 Unique 2.29, 2.63 A)
&rst
ixpk= 552, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 819, 820,
igr2= 816, 817,
&end
#
# 150 LEU MDX 151 GLU HB- 6.00 (# 553:20 Unique 4.04, 7.21 A)
&rst
ixpk= 553, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 802, 803, 804, 806, 807, 808,
igr2= 816, 817,
&end
#
# 167 PRO HD- 167 PRO HB- 4.50 (# 554:20 Unique 2.73, 3.65 A)
&rst
ixpk= 554, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1083,1084,
igr2=1089,1090,
&end
#
# 163 ILE QG2 167 PRO HB- 6.00 (# 555:20 Unique 5.09, 6.88 A)
&rst
ixpk= 555, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1009,1010,1011,
igr2=1089,1090,
&end
#
# 167 PRO HD+ 167 PRO HB- 6.00 (# 556:20 Unique 2.73, 3.65 A)
&rst
ixpk= 556, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1083,1084,
igr2=1089,1090,
&end
#
# 116 LYS HG- 116 LYS HB+ 6.00 (# 557:20 Unique 2.37, 2.77 A)
&rst
ixpk= 557, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 246, 247,
igr2= 243, 244,
&end
#
# 178 ILE HG1- 180 GLU HB- 6.00 (# 558:20 Unique 4.91, 6.63 A)
&rst
ixpk= 558, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1285,1286,
igr2=1317,1318,
&end
#
# 0 AMB 20-2:559 0 AMB 20-1:559 4.50 (# 559:20 Double Ambig)
&rst
ixpk= 559, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 332, 333,1140,1141,1140,1141,
igr2= 326, 327,1317,1318,
&end
#
# 0 AMB 20-2:560 0 AMB 20-1:560 4.50 (# 560:20 Double Ambig)
&rst
ixpk= 560, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.00, r4= 9.50,
igr1=1303,1304,1305,1307,1308,1309,1303,1304,1305,1307,
1308,1309,1281,1282,1283, 991,
igr2=1317,1318, 326, 327,
&end
#
# 167 PRO HD- 167 PRO HB+ 4.50 (# 561:20 Unique 2.73, 3.65 A)
&rst
ixpk= 561, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1083,1084,
igr2=1089,1090,
&end
#
# 0 AMB 20-2:562 0 AMB 20-1:562 4.50 (# 562:20 Double Ambig)
&rst
ixpk= 562, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 252, 253, 332, 333,1140,1141,
igr2= 243, 244, 326, 327,1317,1318,
&end
#
# 178 ILE HG1+ 180 GLU HB- 6.00 (# 563:20 Unique 4.91, 6.63 A)
&rst
ixpk= 563, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1285,1286,
igr2=1317,1318,
&end
#
# 180 GLU HA 180 GLU HB- 3.50 (# 564:20 Unique 2.45, 2.76 A)
&rst
ixpk= 564, nxpk= 20, iat=1315, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1317,1318,
&end
#
# 180 GLU HG+ 180 GLU HB- 2.80 (# 565:20 Unique 2.36, 2.77 A)
&rst
ixpk= 565, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1320,1321,
igr2=1317,1318,
&end
#
# 0 AMB 20-2:566 0 AMB 20-1:566 3.50 (# 566:20 Double Ambig)
&rst
ixpk= 566, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1303,1304,1305,1307,1308,1309,1303,1304,1305,1307,
1308,1309,1281,1282,1283, 991,
igr2=1317,1318,1317,1318,1317,1318, 326, 327,
&end
#
# 180 GLU HA 180 GLU HB+ 3.50 (# 567:20 Unique 2.45, 2.76 A)
&rst
ixpk= 567, nxpk= 20, iat=1315, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1317,1318,
&end
#
# 0 AMB 20-2:568 0 AMB 20-1:568 6.00 (# 568:20 Double Ambig)
&rst
ixpk= 568, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 48, 49, 50, 34, 35, 36,
igr2= 84, 85, 60, 61,
&end
#
# 0 AMB 20-2:569 0 AMB 20-1:569 2.80 (# 569:20 Double Ambig)
&rst
ixpk= 569, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 82, 58, 106,2178,
igr2= 84, 85, 60, 61, 108, 109,
&end
#
# 0 AMB 20-2:570 0 AMB 20-1:570 2.80 (# 570:20 Double Ambig)
&rst
ixpk= 570, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 114, 115, 114, 115, 90, 91, 90, 91, 114, 115,
66, 67, 66, 67,
igr2= 84, 85, 108, 109, 60, 61,
&end
#
# 0 AMB 20-2:571 0 AMB 20-1:571 6.00 (# 571:20 Double Ambig)
&rst
ixpk= 571, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 48, 49, 50, 34, 35, 36,
igr2= 84, 85, 60, 61, 60, 61,
&end
#
# 0 AMB 20-2:572 0 AMB 20-1:572 2.80 (# 572:20 Double Ambig)
&rst
ixpk= 572, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 82, 58, 106,2178,
igr2= 84, 85, 60, 61, 108, 109, 108, 109, 84, 85,
108, 109,
&end
#
# 0 AMB 20-2:573 0 AMB 20-1:573 2.80 (# 573:20 Double Ambig)
&rst
ixpk= 573, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1= 114, 115, 114, 115, 90, 91, 90, 91, 114, 115,
66, 67, 66, 67,
igr2= 84, 85, 84, 85, 84, 85, 84, 85, 108, 109,
108, 109, 60, 61, 60, 61,
&end
#
# 0 AMB 20-2:574 0 AMB 20-1:574 2.80 (# 574:20 Double Ambig)
&rst
ixpk= 574, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
igr1= 111, 112, 111, 112, 87, 88, 87, 88, 63, 64,
63, 64, 135, 136, 135, 136, 111, 112,
igr2= 108, 109, 108, 109, 84, 85, 84, 85, 60, 61,
60, 61, 108, 109, 108, 109, 84, 85, 84, 85,
&end
#
# 169 VAL MGY 169 VAL HB 6.00 (# 575:20 Unique 2.40, 2.67 A)
&rst
ixpk= 575, nxpk= 20, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1117,1118,1119,1121,1122,1123,
&end
#
# 0 AMB 20-2:576 182 GLU HB- 3.50 (# 576:20 Single Ambig)
&rst
ixpk= 576, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1337,1386,
igr2=1339,1340,
&end
#
# 183 ILE HG1+ 182 GLU HB- 8.00 (# 577:20 Unique 6.44, 7.63 A)
&rst
ixpk= 577, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1360,1361,
igr2=1339,1340,
&end
#
# 127 THR MG2 130 ARG HB- 6.00 (# 578:20 Unique 5.96, 7.23 A)
&rst
ixpk= 578, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 428, 429, 430,
igr2= 481, 482,
&end
#
# 0 AMB 20-2:579 0 AMB 20-1:579 2.80 (# 579:20 Double Ambig)
&rst
ixpk= 579, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1342,1343,1376,1377,
igr2=1339,1340,1339,1340,
&end
#
# 0 AMB 20-2:580 0 AMB 20-1:580 4.50 (# 580:20 Double Ambig)
&rst
ixpk= 580, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 154, 155,1330,1331,2049,2175,
igr2= 132, 133,1339,1340,
&end
#
# 127 THR MG2 130 ARG HB+ 6.00 (# 581:20 Unique 5.96, 7.23 A)
&rst
ixpk= 581, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 428, 429, 430,
igr2= 481, 482,
&end
#
# 0 AMB 20-2:582 169 VAL HB 4.50 (# 582:20 Single Ambig)
&rst
ixpk= 582, nxpk= 20, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1117,1118,1119,1121,1122,1123, 991,
&end
#
# 0 AMB 20-2:583 0 AMB 20-1:583 6.00 (# 583:20 Double Ambig)
&rst
ixpk= 583, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1386,1337,
igr2=1373,1374,1373,1374,
&end
#
# 0 AMB 20-2:584 0 AMB 20-1:584 8.00 (# 584:20 Double Ambig)
&rst
ixpk= 584, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.70, r4=13.20,
igr1= 462, 463,1360,1361,
igr2=1339,1340,1373,1374,
&end
#
# 0 AMB 20-2:585 184 GLU HB- 2.80 (# 585:20 Single Ambig)
&rst
ixpk= 585, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1376,1377,1342,1343,
igr2=1373,1374,
&end
#
# 183 ILE QG2 184 GLU HB- 4.50 (# 586:20 Unique 3.37, 5.78 A)
&rst
ixpk= 586, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1356,1357,1358,
igr2=1373,1374,
&end
#
# 127 THR HA 0 AMB 20-1:587 6.00 (# 587:20 Single Ambig)
&rst
ixpk= 587, nxpk= 20, iat= 424, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 481, 482, 481, 482,
&end
#
# 143 GLU HG+ 143 GLU HB+ 4.50 (# 588:20 Unique 2.28, 2.63 A)
&rst
ixpk= 588, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 696, 697,
igr2= 693, 694,
&end
#
# 140 LEU MDX 143 GLU HB+ 6.00 (# 589:20 Unique 2.49, 5.67 A)
&rst
ixpk= 589, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 640, 641, 642, 644, 645, 646,
igr2= 693, 694,
&end
#
# 184 GLU HA 184 GLU HB+ 3.50 (# 590:20 Unique 2.33, 2.68 A)
&rst
ixpk= 590, nxpk= 20, iat=1371, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1373,1374,
&end
#
# 183 ILE HA 184 GLU HB+ 6.00 (# 591:20 Unique 4.49, 6.10 A)
&rst
ixpk= 591, nxpk= 20, iat=1352, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1373,1374,
&end
#
# 0 AMB 20-2:592 0 AMB 20-1:592 2.80 (# 592:20 Double Ambig)
&rst
ixpk= 592, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1376,1377,1376,1377,1342,1343,
igr2=1373,1374,1373,1374,1373,1374,
&end
#
# 127 THR MG2 147 GLU HB- 6.00 (# 593:20 Unique 3.01, 4.82 A)
&rst
ixpk= 593, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 428, 429, 430,
igr2= 764, 765,
&end
#
# 184 GLU HA 184 GLU HB- 3.50 (# 594:20 Unique 2.33, 2.68 A)
&rst
ixpk= 594, nxpk= 20, iat=1371, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1373,1374,
&end
#
# 147 GLU HA 147 GLU HB- 3.50 (# 595:20 Unique 2.42, 2.79 A)
&rst
ixpk= 595, nxpk= 20, iat= 762, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 764, 765,
&end
#
# 123 ALA MB 147 GLU HB- 6.00 (# 596:20 Unique 2.38, 4.79 A)
&rst
ixpk= 596, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 365, 366, 367,
igr2= 764, 765,
&end
#
# 187 GLU HA 187 GLU HB+ 3.50 (# 597:20 Unique 2.36, 2.73 A)
&rst
ixpk= 597, nxpk= 20, iat=1416, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1418,1419,
&end
#
# 186 LEU MDY 187 GLU HB- 6.00 (# 598:20 Unique 3.60, 8.04 A)
&rst
ixpk= 598, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1404,1405,1406,1408,1409,1410,
igr2=1418,1419,
&end
#
# 187 GLU HA 187 GLU HB- 2.80 (# 599:20 Unique 2.36, 2.73 A)
&rst
ixpk= 599, nxpk= 20, iat=1416, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1418,1419,
&end
#
# 113 PRO HD- 112 ARG HB- 6.00 (# 600:20 Unique 2.09, 3.26 A)
&rst
ixpk= 600, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 208, 209,
igr2= 187, 188,
&end
#
# 0 AMB 20-2:601 136 LYS HD- 6.00 (# 601:20 Single Ambig)
&rst
ixpk= 601, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 585, 586, 585, 586,
igr2= 582, 583,
&end
#
# 187 GLU HG- 187 GLU HB- 2.80 (# 602:20 Unique 2.32, 2.65 A)
&rst
ixpk= 602, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1421,1422,
igr2=1418,1419,
&end
#
# 136 LYS HG- 136 LYS HD- 4.50 (# 603:20 Unique 2.39, 2.76 A)
&rst
ixpk= 603, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 579, 580,
igr2= 582, 583,
&end
#
# 136 LYS HG- 136 LYS HD+ 4.50 (# 604:20 Unique 2.39, 2.76 A)
&rst
ixpk= 604, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 579, 580,
igr2= 582, 583,
&end
#
# 127 THR MG2 143 GLU HB+ 4.50 (# 605:20 Unique 2.20, 3.08 A)
&rst
ixpk= 605, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 428, 429, 430,
igr2= 693, 694,
&end
#
# 0 AMB 20-2:606 0 AMB 20-1:606 6.00 (# 606:20 Double Ambig)
&rst
ixpk= 606, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.19, r4=11.69,
igr1= 717, 718, 719, 638, 710, 711, 712,
igr2= 693, 694, 693, 694, 693, 694,
&end
#
# 144 ILE HA 143 GLU HB+ 8.00 (# 607:20 Unique 4.04, 4.62 A)
&rst
ixpk= 607, nxpk= 20, iat= 706, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 693, 694,
&end
#
# 144 ILE HA 147 GLU HB+ 6.00 (# 608:20 Unique 2.21, 2.67 A)
&rst
ixpk= 608, nxpk= 20, iat= 706, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 764, 765,
&end
#
# 143 GLU HA 0 AMB 20-1:609 3.50 (# 609:20 Single Ambig)
&rst
ixpk= 609, nxpk= 20, iat= 691, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 693, 694, 764, 765,
&end
#
# 0 AMB 20-2:610 0 AMB 20-1:610 3.50 (# 610:20 Double Ambig)
&rst
ixpk= 610, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1= 365, 366, 367, 563, 564, 407, 408,
igr2= 764, 765, 620, 621, 350, 351, 350, 351,
&end
#
# 143 GLU HG+ 143 GLU HB- 4.50 (# 611:20 Unique 2.28, 2.63 A)
&rst
ixpk= 611, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 696, 697,
igr2= 693, 694,
&end
#
# 0 AMB 20-2:612 0 AMB 20-1:612 4.50 (# 612:20 Double Ambig)
&rst
ixpk= 612, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.39, r4= 8.89,
igr1= 710, 711, 712, 717, 718, 719, 638,
igr2= 764, 765, 764, 765, 693, 694,
&end
#
# 0 AMB 20-2:613 0 AMB 20-1:613 4.50 (# 613:20 Double Ambig)
&rst
ixpk= 613, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 428, 429, 430, 563, 564,
igr2= 693, 694, 620, 621, 764, 765,
&end
#
# 144 ILE HA 147 GLU HB- 6.00 (# 614:20 Unique 2.21, 2.67 A)
&rst
ixpk= 614, nxpk= 20, iat= 706, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 764, 765,
&end
#
# 113 PRO HD- 112 ARG HB+ 6.00 (# 615:20 Unique 2.09, 3.26 A)
&rst
ixpk= 615, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 208, 209,
igr2= 187, 188,
&end
#
# 0 AMB 20-2:616 0 AMB 20-1:616 6.00 (# 616:20 Double Ambig)
&rst
ixpk= 616, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 596, 607,
igr2= 582, 583, 582, 583,
&end
#
# 163 ILE QD1 0 AMB 20-1:617 3.50 (# 617:20 Single Ambig)
&rst
ixpk= 617, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1016,1017,1018,
igr2=1013,1014,1159,1160,
&end
#
# 171 LYS HE- 171 LYS HD- 6.00 (# 618:20 Unique 2.42, 2.77 A)
&rst
ixpk= 618, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1162,1163,
igr2=1159,1160,
&end
#
# 0 AMB 20-2:619 0 AMB 20-1:619 4.50 (# 619:20 Double Ambig)
&rst
ixpk= 619, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1156,1157,1156,1157,
igr2=1159,1160,1159,1160,
&end
#
# 171 LYS HE- 171 LYS HD+ 4.50 (# 620:20 Unique 2.42, 2.77 A)
&rst
ixpk= 620, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1162,1163,
igr2=1159,1160,
&end
#
# 163 ILE QD1 163 ILE HG1+ 4.50 (# 621:20 Unique 2.38, 2.65 A)
&rst
ixpk= 621, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1016,1017,1018,
igr2=1013,1014,
&end
#
# 0 AMB 20-2:622 0 AMB 20-1:622 6.00 (# 622:20 Double Ambig)
&rst
ixpk= 622, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.46, r4=10.96,
igr1=1117,1118,1119,1121,1122,1123, 991,
igr2=1013,1014,1013,1014,
&end
#
# 0 AMB 20-2:623 0 AMB 20-1:623 3.50 (# 623:20 Double Ambig)
&rst
ixpk= 623, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 633, 348,
igr2= 693, 694, 350, 351,
&end
#
# 140 LEU MDX 143 GLU HB- 4.50 (# 624:20 Unique 2.49, 5.67 A)
&rst
ixpk= 624, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 640, 641, 642, 644, 645, 646,
igr2= 693, 694,
&end
#
# 0 AMB 20-2:625 0 AMB 20-1:625 2.80 (# 625:20 Double Ambig)
&rst
ixpk= 625, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 353, 354, 623, 624,
igr2= 350, 351, 620, 621,
&end
#
# 135 ILE QD1 139 GLU HB+ 4.50 (# 626:20 Unique 2.60, 3.86 A)
&rst
ixpk= 626, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 566, 567, 568,
igr2= 620, 621,
&end
#
# 0 AMB 20-2:627 0 AMB 20-1:627 2.80 (# 627:20 Double Ambig)
&rst
ixpk= 627, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 585, 586, 585, 586,
igr2= 582, 583, 582, 583,
&end
#
# 0 AMB 20-2:628 0 AMB 20-1:628 4.50 (# 628:20 Double Ambig)
&rst
ixpk= 628, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 767, 768, 353, 354, 943, 944,
igr2= 410, 411, 410, 411, 410, 411,1013,1014,
&end
#
# 126 LYS HA 0 AMB 20-1:629 4.50 (# 629:20 Single Ambig)
&rst
ixpk= 629, nxpk= 20, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 465, 466, 410, 411,
&end
#
# 0 AMB 20-2:630 0 AMB 20-1:630 4.50 (# 630:20 Double Ambig)
&rst
ixpk= 630, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 457,1113,
igr2= 465, 466,1013,1014,
&end
#
# 0 AMB 20-2:631 0 AMB 20-1:631 2.80 (# 631:20 Double Ambig)
&rst
ixpk= 631, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 413, 414, 413, 414, 413, 414, 468, 469,
igr2= 410, 411, 410, 411, 410, 411, 465, 466,
&end
#
# 126 LYS HG- 0 AMB 20-1:632 2.80 (# 632:20 Single Ambig)
&rst
ixpk= 632, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 407, 408,
igr2= 410, 411, 410, 411,
&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= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1117,1118,1119,1121,1122,1123, 387, 388, 389,1303,
1304,1305,1307,1308,1309,1363,1364,1365,
igr2=1013,1014, 465, 466, 465, 466, 465, 466, 465, 466,
&end
#
# 125 ILE QG2 122 GLU HB- 6.00 (# 634:20 Unique 4.98, 7.34 A)
&rst
ixpk= 634, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 387, 388, 389,
igr2= 350, 351,
&end
#
# 139 GLU HG- 139 GLU HB- 4.50 (# 635:20 Unique 2.40, 2.60 A)
&rst
ixpk= 635, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 623, 624,
igr2= 620, 621,
&end
#
# 0 AMB 20-2:636 139 GLU HB- 3.50 (# 636:20 Single Ambig)
&rst
ixpk= 636, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 576, 577, 671, 672,
igr2= 620, 621,
&end
#
# 0 AMB 20-2:637 0 AMB 20-1:637 4.50 (# 637:20 Double Ambig)
&rst
ixpk= 637, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 241,1024, 977, 978, 977, 978,
igr2= 291, 292,1032,1033,1032,1033,1032,1033,
&end
#
# 0 AMB 20-2:638 0 AMB 20-1:638 2.80 (# 638:20 Double Ambig)
&rst
ixpk= 638, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 285, 286,1026,1027,1026,1027,1026,1027,
igr2= 291, 292,1032,1033,1032,1033,1032,1033,
&end
#
# 0 AMB 20-2:639 0 AMB 20-1:639 3.50 (# 639:20 Double Ambig)
&rst
ixpk= 639, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 674, 675, 853, 854,
igr2= 677, 678, 249, 250,
&end
#
# 0 AMB 20-2:640 0 AMB 20-1:640 4.50 (# 640:20 Double Ambig)
&rst
ixpk= 640, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 283, 324,
igr2= 291, 292, 329, 330,
&end
#
# 150 LEU MDY 0 AMB 20-1:641 4.50 (# 641:20 Single Ambig)
&rst
ixpk= 641, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 802, 803, 804, 806, 807, 808,
igr2= 291, 292, 249, 250,
&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= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 740, 691,
igr2= 748, 749, 748, 749, 748, 749,
&end
#
# 0 AMB 20-2:643 0 AMB 20-1:643 2.80 (# 643:20 Double Ambig)
&rst
ixpk= 643, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 751, 752, 751, 752, 680, 681, 680, 681, 294, 295,
1035,1036,1035,1036,1035,1036,
igr2= 748, 749, 748, 749, 677, 678, 677, 678, 291, 292,
1032,1033,1032,1033,1032,1033,
&end
#
# 0 AMB 20-2:644 0 AMB 20-1:644 2.80 (# 644:20 Double Ambig)
&rst
ixpk= 644, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1029,1030,1029,1030, 674, 675,
igr2=1032,1033,1032,1033, 677, 678,
&end
#
# 0 AMB 20-2:645 0 AMB 20-1:645 6.00 (# 645:20 Double Ambig)
&rst
ixpk= 645, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.93, r4=13.43,
igr1= 730, 731, 696, 697, 696, 697, 963, 964, 963, 964,
igr2= 748, 749, 748, 749, 748, 749,1032,1033,1032,1033,
&end
#
# 150 LEU MDY 119 LYS HD- 4.50 (# 646:20 Unique 2.33, 5.16 A)
&rst
ixpk= 646, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 802, 803, 804, 806, 807, 808,
igr2= 291, 292,
&end
#
# 0 AMB 20-2:647 0 AMB 20-1:647 4.50 (# 647:20 Double Ambig)
&rst
ixpk= 647, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.91, r4=10.41,
igr1= 710, 711, 712,1303,1304,1305,1307,1308,1309,1303,
1304,1305,1307,1308,1309, 717, 718, 719, 638,
igr2= 714, 715,1100,1101,1100,1101,
&end
#
# 0 AMB 20-2:648 144 ILE HG1- 6.00 (# 648:20 Single Ambig)
&rst
ixpk= 648, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.31, r4= 9.81,
igr1= 710, 711, 712, 717, 718, 719, 638,
igr2= 714, 715,
&end
#
# 168 GLU HG- 168 GLU HB- 6.00 (# 649:20 Unique 2.25, 2.61 A)
&rst
ixpk= 649, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1103,1104,
igr2=1100,1101,
&end
#
# 0 AMB 20-2:650 168 GLU HB- 4.50 (# 650:20 Single Ambig)
&rst
ixpk= 650, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1303,1304,1305,1307,1308,1309,1117,1118,1119,1121,
1122,1123,
igr2=1100,1101,
&end
#
# 168 GLU HG+ 168 GLU HB- 4.50 (# 651:20 Unique 2.25, 2.61 A)
&rst
ixpk= 651, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1103,1104,
igr2=1100,1101,
&end
#
# 0 AMB 20-2:652 152 ILE HG1- 6.00 (# 652:20 Single Ambig)
&rst
ixpk= 652, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 885, 886, 887, 714, 715, 850, 851, 819, 820,
igr2= 837, 838,
&end
#
# 0 AMB 20-2:653 0 AMB 20-1:653 8.00 (# 653:20 Double Ambig)
&rst
ixpk= 653, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.70, r4=13.20,
igr1=1137,1138,1178,1179,
igr2=1285,1286,1285,1286,
&end
#
# 168 GLU HA 168 GLU HB+ 4.50 (# 654:20 Unique 2.39, 2.74 A)
&rst
ixpk= 654, nxpk= 20, iat=1098, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1100,1101,
&end
#
# 0 AMB 20-2:655 0 AMB 20-1:655 3.50 (# 655:20 Double Ambig)
&rst
ixpk= 655, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1279, 310, 853, 854,
igr2=1285,1286, 837, 838,
&end
#
# 178 ILE QD1 178 ILE HG1- 2.80 (# 656:20 Unique 2.39, 2.66 A)
&rst
ixpk= 656, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1288,1289,1290,
igr2=1285,1286,
&end
#
# 0 AMB 20-2:657 178 ILE HG1- 4.50 (# 657:20 Single Ambig)
&rst
ixpk= 657, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1277, 545,
igr2=1285,1286,
&end
#
# 152 ILE QG2 152 ILE HG1- 4.50 (# 658:20 Unique 2.32, 3.49 A)
&rst
ixpk= 658, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 833, 834, 835,
igr2= 837, 838,
&end
#
# 180 GLU HB+ 178 ILE HG1+ 6.00 (# 659:20 Unique 4.91, 6.63 A)
&rst
ixpk= 659, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1317,1318,
igr2=1285,1286,
&end
#
# 178 ILE HB 178 ILE HG1+ 6.00 (# 660:20 Unique 2.44, 2.77 A)
&rst
ixpk= 660, nxpk= 20, iat=1279, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1285,1286,
&end
#
# 0 AMB 20-2:661 0 AMB 20-1:661 4.50 (# 661:20 Double Ambig)
&rst
ixpk= 661, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1277, 535, 545,
igr2=1285,1286,1285,1286,1285,1286,
&end
#
# 178 ILE QD1 178 ILE HG1+ 2.80 (# 662:20 Unique 2.39, 2.66 A)
&rst
ixpk= 662, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1288,1289,1290,
igr2=1285,1286,
&end
#
# 0 AMB 20-2:663 0 AMB 20-1:663 6.00 (# 663:20 Double Ambig)
&rst
ixpk= 663, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1131,1132,1298,1299,
igr2=1285,1286,1285,1286,
&end
#
# 178 ILE HB 178 ILE HG1+ 6.00 (# 664:20 Unique 2.44, 2.77 A)
&rst
ixpk= 664, nxpk= 20, iat=1279, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1285,1286,
&end
#
# 152 ILE QG2 152 ILE HG1+ 4.50 (# 665:20 Unique 2.32, 3.49 A)
&rst
ixpk= 665, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 833, 834, 835,
igr2= 837, 838,
&end
#
# 0 AMB 20-2:666 0 AMB 20-1:666 6.00 (# 666:20 Double Ambig)
&rst
ixpk= 666, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1=1016,1017,1018, 993, 994, 995, 997, 998, 999,
igr2= 943, 944, 960, 961,
&end
#
# 160 GLN HG+ 160 GLN HB- 4.50 (# 667:20 Unique 2.38, 2.61 A)
&rst
ixpk= 667, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 963, 964,
igr2= 960, 961,
&end
#
# 160 GLN HG- 160 GLN HB- 3.50 (# 668:20 Unique 2.38, 2.61 A)
&rst
ixpk= 668, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 963, 964,
igr2= 960, 961,
&end
#
# 0 AMB 20-2:669 160 GLN HB- 3.50 (# 669:20 Single Ambig)
&rst
ixpk= 669, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 958, 907,
igr2= 960, 961,
&end
#
# 0 AMB 20-2:670 0 AMB 20-1:670 3.50 (# 670:20 Double Ambig)
&rst
ixpk= 670, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1140,1141,1140,1141,
igr2=1137,1138,1137,1138,
&end
#
# 0 AMB 20-2:671 170 LYS HD- 3.50 (# 671:20 Single Ambig)
&rst
ixpk= 671, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1140,1141,1140,1141,
igr2=1137,1138,
&end
#
# 0 AMB 20-2:672 0 AMB 20-1:672 6.00 (# 672:20 Double Ambig)
&rst
ixpk= 672, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=2338, 975,
igr2= 960, 961, 960, 961,
&end
#
# 0 AMB 20-2:673 0 AMB 20-1:673 6.00 (# 673:20 Double Ambig)
&rst
ixpk= 673, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
igr1=1156,1157, 911, 912, 913,
igr2= 943, 944, 960, 961,
&end
#
# 160 GLN HG+ 160 GLN HB+ 4.50 (# 674:20 Unique 2.38, 2.61 A)
&rst
ixpk= 674, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 963, 964,
igr2= 960, 961,
&end
#
# 160 GLN HG- 160 GLN HB+ 4.50 (# 675:20 Unique 2.38, 2.61 A)
&rst
ixpk= 675, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 963, 964,
igr2= 960, 961,
&end
#
# 180 GLU HG+ 170 LYS HD+ 6.00 (# 676:20 Unique 2.79, 4.81 A)
&rst
ixpk= 676, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1320,1321,
igr2=1137,1138,
&end
#
# 135 ILE QD1 135 ILE HG1+ 3.50 (# 677:20 Unique 2.40, 2.66 A)
&rst
ixpk= 677, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 566, 567, 568,
igr2= 563, 564,
&end
#
# 0 AMB 20-2:678 0 AMB 20-1:678 6.00 (# 678:20 Double Ambig)
&rst
ixpk= 678, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 620, 621,1320,1321,
igr2= 563, 564,1137,1138,
&end
#
# 0 AMB 20-2:679 0 AMB 20-1:679 6.00 (# 679:20 Double Ambig)
&rst
ixpk= 679, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 620, 621,1320,1321,1320,1321,
igr2= 563, 564,1137,1138,
&end
#
# 180 GLU HB- 170 LYS HD- 6.00 (# 680:20 Unique 3.34, 5.73 A)
&rst
ixpk= 680, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1317,1318,
igr2=1137,1138,
&end
#
# 128 LEU MDX 128 LEU HG 4.50 (# 681:20 Unique 2.40, 2.67 A)
&rst
ixpk= 681, nxpk= 20, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 445, 446, 447, 449, 450, 451,
&end
#
# 0 AMB 20-2:682 128 LEU HG 3.50 (# 682:20 Single Ambig)
&rst
ixpk= 682, nxpk= 20, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 640, 641, 642, 644, 645, 646, 445, 446, 447, 449,
450, 451,
&end
#
# 135 ILE QG2 135 ILE HG1+ 4.50 (# 683:20 Unique 2.51, 3.52 A)
&rst
ixpk= 683, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 559, 560, 561,
igr2= 563, 564,
&end
#
# 139 GLU HB+ 135 ILE HG1- 6.00 (# 684:20 Unique 2.40, 3.12 A)
&rst
ixpk= 684, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 620, 621,
igr2= 563, 564,
&end
#
# 135 ILE QD1 135 ILE HG1- 3.50 (# 685:20 Unique 2.40, 2.66 A)
&rst
ixpk= 685, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 566, 567, 568,
igr2= 563, 564,
&end
#
# 113 PRO HD+ 113 PRO HG- 3.50 (# 686:20 Unique 2.33, 2.61 A)
&rst
ixpk= 686, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 208, 209,
igr2= 211, 212,
&end
#
# 113 PRO HD- 113 PRO HG- 3.50 (# 687:20 Unique 2.33, 2.61 A)
&rst
ixpk= 687, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 208, 209,
igr2= 211, 212,
&end
#
# 0 AMB 20-2:688 113 PRO HG- 4.50 (# 688:20 Single Ambig)
&rst
ixpk= 688, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 217,2274,
igr2= 211, 212,
&end
#
# 0 AMB 20-2:689 0 AMB 20-1:689 6.00 (# 689:20 Double Ambig)
&rst
ixpk= 689, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 223, 224, 223, 224,
igr2= 211, 212, 211, 212,
&end
#
# 113 PRO HD- 113 PRO HG+ 3.50 (# 690:20 Unique 2.33, 2.61 A)
&rst
ixpk= 690, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 208, 209,
igr2= 211, 212,
&end
#
# 0 AMB 20-2:691 0 AMB 20-1:691 4.50 (# 691:20 Double Ambig)
&rst
ixpk= 691, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 217,2274,
igr2= 211, 212, 211, 212,
&end
#
# 113 PRO HD+ 113 PRO HG+ 3.50 (# 692:20 Unique 2.33, 2.61 A)
&rst
ixpk= 692, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 208, 209,
igr2= 211, 212,
&end
#
# 113 PRO HB+ 113 PRO HG+ 3.50 (# 693:20 Unique 2.36, 2.63 A)
&rst
ixpk= 693, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 214, 215,
igr2= 211, 212,
&end
#
# 130 ARG HA 130 ARG HG+ 4.50 (# 694:20 Unique 3.74, 3.81 A)
&rst
ixpk= 694, nxpk= 20, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 484, 485,
&end
#
# 127 THR MG2 128 LEU HG 6.00 (# 695:20 Unique 3.85, 5.19 A)
&rst
ixpk= 695, nxpk= 20, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 428, 429, 430,
&end
#
# 0 AMB 20-2:696 179 LEU HG 6.00 (# 696:20 Single Ambig)
&rst
ixpk= 696, nxpk= 20, iat= -1,1301, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1113, 457,1352,
&end
#
# 0 AMB 20-2:697 179 LEU HG 2.80 (# 697:20 Single Ambig)
&rst
ixpk= 697, nxpk= 20, iat= -1,1301, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1303,1304,1305,1307,1308,1309,1303,1304,1305,1307,
1308,1309,1117,1118,1119,1121,1122,1123,
&end
#
# 125 ILE HB 125 ILE HG1+ 4.50 (# 698:20 Unique 2.40, 2.77 A)
&rst
ixpk= 698, nxpk= 20, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 391, 392,
&end
#
# 135 ILE QG2 135 ILE HG1- 3.50 (# 699:20 Unique 2.51, 3.52 A)
&rst
ixpk= 699, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 559, 560, 561,
igr2= 563, 564,
&end
#
# 0 AMB 20-2:700 0 AMB 20-1:700 4.50 (# 700:20 Double Ambig)
&rst
ixpk= 700, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 387, 388, 389,1363,1364,1365,
igr2= 391, 392, 391, 392,
&end
#
# 0 AMB 20-2:701 0 AMB 20-1:701 6.00 (# 701:20 Double Ambig)
&rst
ixpk= 701, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 829, 876, 283,
igr2= 850, 851, 850, 851, 850, 851,
&end
#
# 167 PRO HD+ 167 PRO HG+ 4.50 (# 702:20 Unique 2.34, 2.62 A)
&rst
ixpk= 702, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1083,1084,
igr2=1086,1087,
&end
#
# 0 AMB 20-2:703 0 AMB 20-1:703 3.50 (# 703:20 Double Ambig)
&rst
ixpk= 703, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 487, 488, 487, 488, 505, 506,
igr2= 484, 485, 484, 485, 484, 485,
&end
#
# 0 AMB 20-2:704 0 AMB 20-1:704 2.80 (# 704:20 Double Ambig)
&rst
ixpk= 704, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr1= 82, 130, 106, 58,2052, 44,2178,
igr2= 87, 88, 87, 88, 135, 136, 135, 136, 111, 112,
111, 112, 63, 64, 63, 64, 135, 136, 135, 136,
63, 64, 135, 136, 63, 64, 111, 112, 111, 112,
&end
#
# 0 AMB 20-2:705 0 AMB 20-1:705 2.80 (# 705:20 Double Ambig)
&rst
ixpk= 705, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.50, r4= 9.00,
igr1= 90, 91, 90, 91, 90, 91, 66, 67, 66, 67,
66, 67, 138, 139, 138, 139, 138, 139, 487, 488,
487, 488, 114, 115, 114, 115, 114, 115, 505, 506,
igr2= 87, 88, 87, 88, 87, 88, 63, 64, 63, 64,
63, 64, 135, 136, 135, 136, 135, 136, 484, 485,
111, 112, 111, 112, 111, 112,
&end
#
# 0 AMB 20-2:706 0 AMB 20-1:706 3.50 (# 706:20 Double Ambig)
&rst
ixpk= 706, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 479, 32,
igr2= 484, 485, 63, 64, 63, 64,
&end
#
# 127 THR HA 130 ARG HG- 6.00 (# 707:20 Unique 2.17, 3.37 A)
&rst
ixpk= 707, nxpk= 20, iat= 424, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 484, 485,
&end
#
# 0 AMB 20-2:708 0 AMB 20-1:708 4.50 (# 708:20 Double Ambig)
&rst
ixpk= 708, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.82, r4=10.32,
igr1= 48, 49, 50, 34, 35, 36, 428, 429, 430,
igr2= 63, 64, 63, 64, 63, 64, 484, 485, 87, 88,
87, 88,
&end
#
# 125 ILE HG1+ 179 LEU HG 6.00 (# 709:20 Unique 5.28, 6.94 A)
&rst
ixpk= 709, nxpk= 20, iat= -1,1301, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 391, 392,
&end
#
# 0 AMB 20-2:710 183 ILE HG1- 6.00 (# 710:20 Single Ambig)
&rst
ixpk= 710, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1376,1377,1376,1377,1103,1104,
igr2=1360,1361,
&end
#
# 0 AMB 20-2:711 183 ILE HG1- 6.00 (# 711:20 Single Ambig)
&rst
ixpk= 711, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1386,1337,
igr2=1360,1361,
&end
#
# 183 ILE HB 183 ILE HG1- 3.50 (# 712:20 Unique 2.38, 2.77 A)
&rst
ixpk= 712, nxpk= 20, iat=1354, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1360,1361,
&end
#
# 0 AMB 20-2:713 183 ILE HG1- 3.50 (# 713:20 Single Ambig)
&rst
ixpk= 713, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1356,1357,1358,1117,1118,1119,1121,1122,1123,
igr2=1360,1361,
&end
#
# 0 AMB 20-2:714 183 ILE HG1- 3.50 (# 714:20 Single Ambig)
&rst
ixpk= 714, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1363,1364,1365, 387, 388, 389,
igr2=1360,1361,
&end
#
# 179 LEU HG 125 ILE HG1+ 6.00 (# 715:20 Unique 5.28, 6.94 A)
&rst
ixpk= 715, nxpk= 20, iat=1301, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 391, 392,
&end
#
# 125 ILE HG1- 183 ILE HG1+ 6.00 (# 716:20 Unique 2.20, 3.26 A)
&rst
ixpk= 716, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 391, 392,
igr2=1360,1361,
&end
#
# 183 ILE HA 183 ILE HG1+ 4.50 (# 717:20 Unique 2.34, 3.31 A)
&rst
ixpk= 717, nxpk= 20, iat=1352, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1360,1361,
&end
#
# 0 AMB 20-2:718 0 AMB 20-1:718 6.00 (# 718:20 Double Ambig)
&rst
ixpk= 718, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
igr1=1100,1101, 385, 988, 989,
igr2=1360,1361,1360,1361,1360,1361,
&end
#
# 183 ILE HB 183 ILE HG1+ 4.50 (# 719:20 Unique 2.38, 2.77 A)
&rst
ixpk= 719, nxpk= 20, iat=1354, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1360,1361,
&end
#
# 0 AMB 20-2:720 0 AMB 20-1:720 3.50 (# 720:20 Double Ambig)
&rst
ixpk= 720, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1356,1357,1358,1117,1118,1119,1121,1122,1123,
igr2=1360,1361,1360,1361,
&end
#
# 0 AMB 20-2:721 0 AMB 20-1:721 3.50 (# 721:20 Double Ambig)
&rst
ixpk= 721, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1363,1364,1365, 387, 388, 389,
igr2=1360,1361,1360,1361,
&end
#
# 0 AMB 20-2:722 0 AMB 20-1:722 6.00 (# 722:20 Double Ambig)
&rst
ixpk= 722, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1100,1101,1373,1374,
igr2=1360,1361,1360,1361,
&end
#
# 125 ILE QD1 183 ILE HG1+ 6.00 (# 723:20 Unique 2.53, 4.42 A)
&rst
ixpk= 723, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 394, 395, 396,
igr2=1360,1361,
&end
#
# 125 ILE HG1+ 183 ILE HG1+ 6.00 (# 724:20 Unique 2.20, 3.26 A)
&rst
ixpk= 724, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 391, 392,
igr2=1360,1361,
&end
#
# 125 ILE HB 125 ILE HG1- 6.00 (# 725:20 Unique 2.40, 2.77 A)
&rst
ixpk= 725, nxpk= 20, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 391, 392,
&end
#
# 125 ILE QD1 125 ILE HG1- 4.50 (# 726:20 Unique 2.39, 2.65 A)
&rst
ixpk= 726, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 394, 395, 396,
igr2= 391, 392,
&end
#
# 0 AMB 20-2:727 125 ILE HG1- 4.50 (# 727:20 Single Ambig)
&rst
ixpk= 727, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 387, 388, 389,1363,1364,1365,
igr2= 391, 392,
&end
#
# 167 PRO HD- 167 PRO HG+ 4.50 (# 728:20 Unique 2.34, 2.62 A)
&rst
ixpk= 728, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1083,1084,
igr2=1086,1087,
&end
#
# 167 PRO HB- 167 PRO HG+ 3.50 (# 729:20 Unique 2.38, 2.64 A)
&rst
ixpk= 729, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1089,1090,
igr2=1086,1087,
&end
#
# 167 PRO HD+ 167 PRO HG- 4.50 (# 730:20 Unique 2.34, 2.62 A)
&rst
ixpk= 730, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1083,1084,
igr2=1086,1087,
&end
#
# 167 PRO HD- 167 PRO HG- 4.50 (# 731:20 Unique 2.34, 2.62 A)
&rst
ixpk= 731, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1083,1084,
igr2=1086,1087,
&end
#
# 167 PRO HB- 167 PRO HG- 3.50 (# 732:20 Unique 2.38, 2.64 A)
&rst
ixpk= 732, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1089,1090,
igr2=1086,1087,
&end
#
# 172 PRO HD+ 172 PRO HG+ 4.50 (# 733:20 Unique 2.30, 2.61 A)
&rst
ixpk= 733, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1172,1173,
igr2=1175,1176,
&end
#
# 0 AMB 20-2:734 0 AMB 20-1:734 4.50 (# 734:20 Double Ambig)
&rst
ixpk= 734, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2017,1181,
igr2= 190, 191,1175,1176,
&end
#
# 113 PRO HD- 112 ARG HG+ 6.00 (# 735:20 Unique 3.79, 5.20 A)
&rst
ixpk= 735, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 208, 209,
igr2= 190, 191,
&end
#
# 0 AMB 20-2:736 0 AMB 20-1:736 4.50 (# 736:20 Double Ambig)
&rst
ixpk= 736, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2017,2081, 263,2018, 154, 155,
igr2= 190, 191, 135, 136, 135, 136, 850, 851, 135, 136,
&end
#
# 0 AMB 20-2:737 0 AMB 20-1:737 4.50 (# 737:20 Double Ambig)
&rst
ixpk= 737, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=2081, 263, 154, 155, 154, 155,
igr2= 135, 136, 135, 136, 850, 851, 135, 136,
&end
#
# 0 AMB 20-2:738 186 LEU HG 2.80 (# 738:20 Single Ambig)
&rst
ixpk= 738, nxpk= 20, iat= -1,1402, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1404,1405,1406,1408,1409,1410,1404,1405,1406,1408,
1409,1410,
&end
#
# 164 LYS HA 167 PRO HG+ 6.00 (# 739:20 Unique 4.09, 5.43 A)
&rst
ixpk= 739, nxpk= 20, iat=1024, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1086,1087,
&end
#
# 172 PRO HB+ 172 PRO HG+ 6.00 (# 740:20 Unique 2.37, 2.63 A)
&rst
ixpk= 740, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1178,1179,
igr2=1175,1176,
&end
#
# 172 PRO HD+ 172 PRO HG- 4.50 (# 741:20 Unique 2.30, 2.61 A)
&rst
ixpk= 741, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1172,1173,
igr2=1175,1176,
&end
#
# 125 ILE QD1 128 LEU MDY 4.50 (# 742:20 Unique 2.74, 6.39 A)
&rst
ixpk= 742, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 394, 395, 396,
igr2= 445, 446, 447, 449, 450, 451,
&end
#
# 0 AMB 20-2:743 0 AMB 20-1:743 4.50 (# 743:20 Double Ambig)
&rst
ixpk= 743, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 438, 633, 596,
igr2= 445, 446, 447, 449, 450, 451, 640, 641, 642, 644,
645, 646,
&end
#
# 0 AMB 20-2:744 140 LEU MDY 4.50 (# 744:20 Single Ambig)
&rst
ixpk= 744, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 635, 636, 563, 564,
igr2= 640, 641, 642, 644, 645, 646,
&end
#
# 0 AMB 20-2:745 0 AMB 20-1:745 3.50 (# 745:20 Double Ambig)
&rst
ixpk= 745, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1298,1299, 428, 429, 430,
igr2= 445, 446, 447, 449, 450, 451, 640, 641, 642, 644,
645, 646,
&end
#
# 177 TYR HB- 0 AMB 20-1:746 6.00 (# 746:20 Single Ambig)
&rst
ixpk= 746, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1258,1259,
igr2= 640, 641, 642, 644, 645, 646, 445, 446, 447, 449,
450, 451,
&end
#
# 0 AMB 20-2:747 0 AMB 20-1:747 4.50 (# 747:20 Double Ambig)
&rst
ixpk= 747, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 946, 947, 696, 697,
igr2= 640, 641, 642, 644, 645, 646, 445, 446, 447, 449,
450, 451,
&end
#
# 159 MET ME 140 LEU MDY 8.00 (# 748:20 Unique 2.20, 4.62 A)
&rst
ixpk= 748, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.95, r4=13.45,
igr1= 950, 951, 952,
igr2= 640, 641, 642, 644, 645, 646,
&end
#
# 0 AMB 20-2:749 0 AMB 20-1:749 6.00 (# 749:20 Double Ambig)
&rst
ixpk= 749, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1178,1179,1241,1242,
igr2=1175,1176,1175,1176,
&end
#
# 134 ALA MB 172 PRO HG+ 6.00 (# 750:20 Unique 2.38, 3.64 A)
&rst
ixpk= 750, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 547, 548, 549,
igr2=1175,1176,
&end
#
# 120 LEU HA 120 LEU HG 6.00 (# 751:20 Unique 2.45, 3.25 A)
&rst
ixpk= 751, nxpk= 20, iat= 305, 310, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:752 120 LEU HG 3.50 (# 752:20 Single Ambig)
&rst
ixpk= 752, nxpk= 20, iat= -1, 310, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 312, 313, 314, 316, 317, 318, 840, 841, 842,
&end
#
# 116 LYS HA 150 LEU MDY 6.00 (# 753:20 Unique 4.51, 7.71 A)
&rst
ixpk= 753, nxpk= 20, iat= 241, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 802, 803, 804, 806, 807, 808,
&end
#
# 0 AMB 20-2:754 150 LEU MDY 6.00 (# 754:20 Single Ambig)
&rst
ixpk= 754, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 252, 253, 294, 295,
igr2= 802, 803, 804, 806, 807, 808,
&end
#
# 0 AMB 20-2:755 150 LEU MDY 6.00 (# 755:20 Single Ambig)
&rst
ixpk= 755, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 285, 286, 850, 851,
igr2= 802, 803, 804, 806, 807, 808,
&end
#
# 0 AMB 20-2:756 150 LEU MDY 4.50 (# 756:20 Single Ambig)
&rst
ixpk= 756, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 285, 286, 243, 244,
igr2= 802, 803, 804, 806, 807, 808,
&end
#
# 0 AMB 20-2:757 150 LEU MDY 3.50 (# 757:20 Single Ambig)
&rst
ixpk= 757, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 288, 289, 800, 246, 247,
igr2= 802, 803, 804, 806, 807, 808,
&end
#
# 150 LEU HB- 150 LEU MDY 4.50 (# 758:20 Unique 2.34, 3.30 A)
&rst
ixpk= 758, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 797, 798,
igr2= 802, 803, 804, 806, 807, 808,
&end
#
# 148 SER HA 150 LEU MDY 8.00 (# 759:20 Unique 3.92, 6.40 A)
&rst
ixpk= 759, nxpk= 20, iat= 777, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr2= 802, 803, 804, 806, 807, 808,
&end
#
# 0 AMB 20-2:760 150 LEU MDY 6.00 (# 760:20 Single Ambig)
&rst
ixpk= 760, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 779, 780, 779, 780, 847, 848,
igr2= 802, 803, 804, 806, 807, 808,
&end
#
# 0 AMB 20-2:761 150 LEU MDY 4.50 (# 761:20 Single Ambig)
&rst
ixpk= 761, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
igr1= 312, 313, 314, 316, 317, 318, 840, 841, 842,
igr2= 802, 803, 804, 806, 807, 808,
&end
#
# 162 LEU HA 162 LEU HG 4.50 (# 762:20 Unique 2.39, 2.73 A)
&rst
ixpk= 762, nxpk= 20, iat= 986, 991, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 125 ILE HA 128 LEU MDY 4.50 (# 763:20 Unique 2.72, 5.35 A)
&rst
ixpk= 763, nxpk= 20, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 445, 446, 447, 449, 450, 451,
&end
#
# 0 AMB 20-2:764 128 LEU MDY 4.50 (# 764:20 Single Ambig)
&rst
ixpk= 764, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 440, 441, 440, 441,
igr2= 445, 446, 447, 449, 450, 451,
&end
#
# 128 LEU HG 128 LEU MDY 3.50 (# 765:20 Unique 2.40, 2.67 A)
&rst
ixpk= 765, nxpk= 20, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 445, 446, 447, 449, 450, 451,
&end
#
# 129 LYS HE+ 129 LYS HG- 4.50 (# 766:20 Unique 2.30, 3.24 A)
&rst
ixpk= 766, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 468, 469,
igr2= 462, 463,
&end
#
# 0 AMB 20-2:767 129 LYS HG- 3.50 (# 767:20 Single Ambig)
&rst
ixpk= 767, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1303,1304,1305,1307,1308,1309,1303,1304,1305,1307,
1308,1309,
igr2= 462, 463,
&end
#
# 0 AMB 20-2:768 150 LEU HG 3.50 (# 768:20 Single Ambig)
&rst
ixpk= 768, nxpk= 20, iat= -1, 800, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 802, 803, 804, 806, 807, 808, 802, 803, 804, 806,
807, 808,
&end
#
# 129 LYS HA 129 LYS HG+ 3.50 (# 769:20 Unique 2.19, 2.71 A)
&rst
ixpk= 769, nxpk= 20, iat= 457, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 462, 463,
&end
#
# 120 LEU HA 150 LEU MDY 6.00 (# 770:20 Unique 3.93, 6.68 A)
&rst
ixpk= 770, nxpk= 20, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 802, 803, 804, 806, 807, 808,
&end
#
# 0 AMB 20-2:771 150 LEU MDY 4.50 (# 771:20 Single Ambig)
&rst
ixpk= 771, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 291, 292, 797, 798, 288, 289, 246, 247,
igr2= 802, 803, 804, 806, 807, 808,
&end
#
# 180 GLU HA 179 LEU MDX 6.00 (# 772:20 Unique 3.30, 6.01 A)
&rst
ixpk= 772, nxpk= 20, iat=1315, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1303,1304,1305,1307,1308,1309,
&end
#
# 182 GLU HA 179 LEU MDX 6.00 (# 773:20 Unique 2.29, 5.43 A)
&rst
ixpk= 773, nxpk= 20, iat=1337, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1303,1304,1305,1307,1308,1309,
&end
#
# 0 AMB 20-2:774 179 LEU MDX 3.50 (# 774:20 Single Ambig)
&rst
ixpk= 774, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1352, 457,1113,
igr2=1303,1304,1305,1307,1308,1309,
&end
#
# 129 LYS HE- 179 LEU MDX 4.50 (# 775:20 Unique 4.10, 6.96 A)
&rst
ixpk= 775, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 468, 469,
igr2=1303,1304,1305,1307,1308,1309,
&end
#
# 168 GLU HG+ 179 LEU MDX 4.50 (# 776:20 Unique 2.39, 6.30 A)
&rst
ixpk= 776, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1103,1104,
igr2=1303,1304,1305,1307,1308,1309,
&end
#
# 179 LEU HB- 179 LEU MDX 2.80 (# 777:20 Unique 2.29, 3.33 A)
&rst
ixpk= 777, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1298,1299,
igr2=1303,1304,1305,1307,1308,1309,
&end
#
# 179 LEU HG 179 LEU MDX 2.80 (# 778:20 Unique 2.38, 2.66 A)
&rst
ixpk= 778, nxpk= 20, iat=1301, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1303,1304,1305,1307,1308,1309,
&end
#
# 0 AMB 20-2:779 0 AMB 20-1:779 3.50 (# 779:20 Double Ambig)
&rst
ixpk= 779, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1=1298,1299,1013,1014,
igr2=1303,1304,1305,1307,1308,1309, 991,
&end
#
# 0 AMB 20-2:780 0 AMB 20-1:780 3.50 (# 780:20 Double Ambig)
&rst
ixpk= 780, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
igr1= 462, 463, 465, 466, 465, 466,1013,1014,1048,1049,
igr2=1303,1304,1305,1307,1308,1309, 991,
&end
#
# 125 ILE QD1 0 AMB 20-1:781 3.50 (# 781:20 Single Ambig)
&rst
ixpk= 781, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 394, 395, 396,
igr2= 991,1303,1304,1305,1307,1308,1309,
&end
#
# 125 ILE HA 0 AMB 20-1:782 6.00 (# 782:20 Single Ambig)
&rst
ixpk= 782, nxpk= 20, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr2=1303,1304,1305,1307,1308,1309, 991,
&end
#
# 0 AMB 20-2:783 0 AMB 20-1:783 3.50 (# 783:20 Double Ambig)
&rst
ixpk= 783, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 585, 586, 585, 586,
igr2= 579, 580, 579, 580,
&end
#
# 139 GLU HG- 136 LYS HG+ 6.00 (# 784:20 Unique 3.23, 5.24 A)
&rst
ixpk= 784, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 623, 624,
igr2= 579, 580,
&end
#
# 0 AMB 20-2:785 0 AMB 20-1:785 4.50 (# 785:20 Double Ambig)
&rst
ixpk= 785, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1244,1245, 623, 624,
igr2= 579, 580, 579, 580,
&end
#
# 0 AMB 20-2:786 0 AMB 20-1:786 3.50 (# 786:20 Double Ambig)
&rst
ixpk= 786, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 576, 577,1244,1245,
igr2= 579, 580, 579, 580,
&end
#
# 120 LEU MDY 150 LEU HG 6.00 (# 787:20 Unique 2.28, 6.54 A)
&rst
ixpk= 787, nxpk= 20, iat= -1, 800, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 312, 313, 314, 316, 317, 318,
&end
#
# 116 LYS HB+ 116 LYS HG- 4.50 (# 788:20 Unique 2.37, 2.77 A)
&rst
ixpk= 788, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 243, 244,
igr2= 246, 247,
&end
#
# 121 ARG HA 162 LEU MDX 4.50 (# 789:20 Unique 2.46, 4.31 A)
&rst
ixpk= 789, nxpk= 20, iat= 324, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 993, 994, 995, 997, 998, 999,
&end
#
# 162 LEU HA 162 LEU MDX 3.50 (# 790:20 Unique 2.15, 3.94 A)
&rst
ixpk= 790, nxpk= 20, iat= 986, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 993, 994, 995, 997, 998, 999,
&end
#
# 158 PHE HB+ 162 LEU MDX 6.00 (# 791:20 Unique 4.92, 7.46 A)
&rst
ixpk= 791, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 923, 924,
igr2= 993, 994, 995, 997, 998, 999,
&end
#
# 166 TYR HB+ 162 LEU MDX 6.00 (# 792:20 Unique 2.91, 6.47 A)
&rst
ixpk= 792, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1065,1066,
igr2= 993, 994, 995, 997, 998, 999,
&end
#
# 0 AMB 20-2:793 162 LEU MDX 3.50 (# 793:20 Single Ambig)
&rst
ixpk= 793, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 385, 988, 989, 326, 327,1048,1049,
igr2= 993, 994, 995, 997, 998, 999,
&end
#
# 0 AMB 20-2:794 162 LEU MDX 2.80 (# 794:20 Single Ambig)
&rst
ixpk= 794, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 375, 376, 377,1048,1049,1013,1014,
igr2= 993, 994, 995, 997, 998, 999,
&end
#
# 0 AMB 20-2:795 162 LEU MDX 2.80 (# 795:20 Single Ambig)
&rst
ixpk= 795, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1117,1118,1119,1121,1122,1123, 991,1303,1304,1305,
1307,1308,1309,1303,1304,1305,1307,1308,1309,
igr2= 993, 994, 995, 997, 998, 999,
&end
#
# 125 ILE QD1 162 LEU MDX 4.50 (# 796:20 Unique 2.27, 4.21 A)
&rst
ixpk= 796, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 394, 395, 396,
igr2= 993, 994, 995, 997, 998, 999,
&end
#
# 0 AMB 20-2:797 162 LEU MDX 4.50 (# 797:20 Single Ambig)
&rst
ixpk= 797, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 943, 944,1115,
igr2= 993, 994, 995, 997, 998, 999,
&end
#
# 0 AMB 20-2:798 0 AMB 20-1:798 6.00 (# 798:20 Double Ambig)
&rst
ixpk= 798, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 596, 607,
igr2= 579, 580, 579, 580,
&end
#
# 141 GLN HG+ 142 LYS HG+ 4.50 (# 799:20 Unique 2.91, 4.73 A)
&rst
ixpk= 799, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 657, 658,
igr2= 674, 675,
&end
#
# 119 LYS HA 119 LYS HG- 4.50 (# 800:20 Unique 2.44, 3.13 A)
&rst
ixpk= 800, nxpk= 20, iat= 283, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 288, 289,
&end
#
# 0 AMB 20-2:801 0 AMB 20-1:801 8.00 (# 801:20 Double Ambig)
&rst
ixpk= 801, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=14.54, r4=15.04,
igr1= 779, 780, 779, 780, 847, 848,
igr2= 288, 289, 288, 289, 246, 247,
&end
#
# 125 ILE QG2 126 LYS HG- 6.00 (# 802:20 Unique 2.62, 4.98 A)
&rst
ixpk= 802, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 387, 388, 389,
igr2= 407, 408,
&end
#
# 142 LYS HA 142 LYS HG+ 3.50 (# 803:20 Unique 2.39, 2.76 A)
&rst
ixpk= 803, nxpk= 20, iat= 669, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 674, 675,
&end
#
# 0 AMB 20-2:804 0 AMB 20-1:804 3.50 (# 804:20 Double Ambig)
&rst
ixpk= 804, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 680, 681, 680, 681,
igr2= 674, 675, 674, 675,
&end
#
# 142 LYS HB+ 142 LYS HG+ 3.50 (# 805:20 Unique 2.35, 2.77 A)
&rst
ixpk= 805, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 671, 672,
igr2= 674, 675,
&end
#
# 119 LYS HE+ 119 LYS HG- 4.50 (# 806:20 Unique 2.34, 2.93 A)
&rst
ixpk= 806, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 294, 295,
igr2= 288, 289,
&end
#
# 119 LYS HB- 119 LYS HG- 3.50 (# 807:20 Unique 2.38, 2.68 A)
&rst
ixpk= 807, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 285, 286,
igr2= 288, 289,
&end
#
# 0 AMB 20-2:808 119 LYS HG- 8.00 (# 808:20 Single Ambig)
&rst
ixpk= 808, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 241, 273,
igr2= 288, 289,
&end
#
# 0 AMB 20-2:809 0 AMB 20-1:809 3.50 (# 809:20 Double Ambig)
&rst
ixpk= 809, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1024, 348,
igr2=1029,1030, 407, 408,
&end
#
# 0 AMB 20-2:810 0 AMB 20-1:810 6.00 (# 810:20 Double Ambig)
&rst
ixpk= 810, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
igr1=1009,1010,1011, 391, 392,
igr2=1029,1030, 407, 408,
&end
#
# 0 AMB 20-2:811 0 AMB 20-1:811 2.80 (# 811:20 Double Ambig)
&rst
ixpk= 811, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 680, 681, 680, 681,1035,1036,1035,1036,
igr2= 674, 675,1029,1030,1029,1030,
&end
#
# 0 AMB 20-2:812 0 AMB 20-1:812 2.80 (# 812:20 Double Ambig)
&rst
ixpk= 812, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 671, 672, 404, 405,1026,1027,1026,1027,
igr2= 674, 675, 407, 408,1029,1030,1029,1030,
&end
#
# 126 LYS HA 126 LYS HG+ 4.50 (# 813:20 Unique 2.28, 2.73 A)
&rst
ixpk= 813, nxpk= 20, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 407, 408,
&end
#
# 125 ILE QG2 126 LYS HG+ 6.00 (# 814:20 Unique 2.62, 4.98 A)
&rst
ixpk= 814, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 387, 388, 389,
igr2= 407, 408,
&end
#
# 119 LYS HB+ 119 LYS HG+ 3.50 (# 815:20 Unique 2.38, 2.68 A)
&rst
ixpk= 815, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 285, 286,
igr2= 288, 289,
&end
#
# 161 SER HA 164 LYS HG- 6.00 (# 816:20 Unique 2.13, 2.94 A)
&rst
ixpk= 816, nxpk= 20, iat= 975, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1029,1030,
&end
#
# 0 AMB 20-2:817 164 LYS HG- 2.80 (# 817:20 Single Ambig)
&rst
ixpk= 817, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1032,1033,1032,1033,
igr2=1029,1030,
&end
#
# 164 LYS HA 164 LYS HG- 3.50 (# 818:20 Unique 2.31, 3.73 A)
&rst
ixpk= 818, nxpk= 20, iat=1024, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1029,1030,
&end
#
# 0 AMB 20-2:819 164 LYS HG- 2.80 (# 819:20 Single Ambig)
&rst
ixpk= 819, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1026,1027,1026,1027,1048,1049,
igr2=1029,1030,
&end
#
# 0 AMB 20-2:820 126 LYS HG- 6.00 (# 820:20 Single Ambig)
&rst
ixpk= 820, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 353, 354, 767, 768,
igr2= 407, 408,
&end
#
# 123 ALA HA 126 LYS HG- 6.00 (# 821:20 Unique 3.45, 4.98 A)
&rst
ixpk= 821, nxpk= 20, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 407, 408,
&end
#
# 126 LYS HA 126 LYS HG- 3.50 (# 822:20 Unique 2.28, 2.73 A)
&rst
ixpk= 822, nxpk= 20, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 407, 408,
&end
#
# 0 AMB 20-2:823 126 LYS HG- 3.50 (# 823:20 Single Ambig)
&rst
ixpk= 823, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 413, 414, 413, 414, 468, 469,
igr2= 407, 408,
&end
#
# 126 LYS HB- 126 LYS HG- 3.50 (# 824:20 Unique 2.37, 2.77 A)
&rst
ixpk= 824, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 404, 405,
igr2= 407, 408,
&end
#
# 126 LYS HB+ 126 LYS HG- 3.50 (# 825:20 Unique 2.37, 2.77 A)
&rst
ixpk= 825, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 404, 405,
igr2= 407, 408,
&end
#
# 0 AMB 20-2:826 126 LYS HG- 8.00 (# 826:20 Single Ambig)
&rst
ixpk= 826, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1= 487, 488, 487, 488,
igr2= 407, 408,
&end
#
# 180 GLU HA 179 LEU MDY 4.50 (# 827:20 Unique 3.30, 6.01 A)
&rst
ixpk= 827, nxpk= 20, iat=1315, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1303,1304,1305,1307,1308,1309,
&end
#
# 0 AMB 20-2:828 179 LEU MDY 3.50 (# 828:20 Single Ambig)
&rst
ixpk= 828, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1352, 457,1113,
igr2=1303,1304,1305,1307,1308,1309,
&end
#
# 125 ILE HA 179 LEU MDY 8.00 (# 829:20 Unique 3.22, 5.30 A)
&rst
ixpk= 829, nxpk= 20, iat= 383, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr2=1303,1304,1305,1307,1308,1309,
&end
#
# 129 LYS HE- 179 LEU MDY 4.50 (# 830:20 Unique 4.10, 6.96 A)
&rst
ixpk= 830, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 468, 469,
igr2=1303,1304,1305,1307,1308,1309,
&end
#
# 168 GLU HG- 179 LEU MDY 4.50 (# 831:20 Unique 2.39, 6.30 A)
&rst
ixpk= 831, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1103,1104,
igr2=1303,1304,1305,1307,1308,1309,
&end
#
# 168 GLU HG+ 179 LEU MDY 4.50 (# 832:20 Unique 2.39, 6.30 A)
&rst
ixpk= 832, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1103,1104,
igr2=1303,1304,1305,1307,1308,1309,
&end
#
# 168 GLU HB+ 179 LEU MDY 3.50 (# 833:20 Unique 2.35, 4.82 A)
&rst
ixpk= 833, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1100,1101,
igr2=1303,1304,1305,1307,1308,1309,
&end
#
# 0 AMB 20-2:834 179 LEU MDY 3.50 (# 834:20 Single Ambig)
&rst
ixpk= 834, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1100,1101,1317,1318, 459, 460,
igr2=1303,1304,1305,1307,1308,1309,
&end
#
# 179 LEU HB- 179 LEU MDY 3.50 (# 835:20 Unique 2.29, 3.33 A)
&rst
ixpk= 835, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1298,1299,
igr2=1303,1304,1305,1307,1308,1309,
&end
#
# 0 AMB 20-2:836 179 LEU MDY 3.50 (# 836:20 Single Ambig)
&rst
ixpk= 836, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 462, 463, 465, 466, 465, 466,
igr2=1303,1304,1305,1307,1308,1309,
&end
#
# 179 LEU HG 179 LEU MDY 2.80 (# 837:20 Unique 2.38, 2.66 A)
&rst
ixpk= 837, nxpk= 20, iat=1301, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1303,1304,1305,1307,1308,1309,
&end
#
# 179 LEU HB+ 179 LEU MDY 3.50 (# 838:20 Unique 2.29, 3.33 A)
&rst
ixpk= 838, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1298,1299,
igr2=1303,1304,1305,1307,1308,1309,
&end
#
# 183 ILE HG1+ 179 LEU MDY 4.50 (# 839:20 Unique 2.36, 5.41 A)
&rst
ixpk= 839, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1360,1361,
igr2=1303,1304,1305,1307,1308,1309,
&end
#
# 125 ILE QD1 179 LEU MDY 4.50 (# 840:20 Unique 2.76, 6.26 A)
&rst
ixpk= 840, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 394, 395, 396,
igr2=1303,1304,1305,1307,1308,1309,
&end
#
# 150 LEU MDX 120 LEU MDX 6.00 (# 841:20 Unique 2.28, 6.49 A)
&rst
ixpk= 841, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 802, 803, 804, 806, 807, 808,
igr2= 312, 313, 314, 316, 317, 318,
&end
#
# 0 AMB 20-2:842 120 LEU MDX 4.50 (# 842:20 Single Ambig)
&rst
ixpk= 842, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 710, 711, 712, 717, 718, 719,
igr2= 312, 313, 314, 316, 317, 318,
&end
#
# 116 LYS HB+ 120 LEU MDX 6.00 (# 843:20 Unique 3.10, 7.71 A)
&rst
ixpk= 843, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 243, 244,
igr2= 312, 313, 314, 316, 317, 318,
&end
#
# 0 AMB 20-2:844 0 AMB 20-1:844 4.50 (# 844:20 Double Ambig)
&rst
ixpk= 844, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 657, 658, 350, 351, 350, 351,
igr2= 674, 675, 407, 408, 407, 408,
&end
#
# 142 LYS HA 142 LYS HG- 3.50 (# 845:20 Unique 2.39, 2.76 A)
&rst
ixpk= 845, nxpk= 20, iat= 669, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 674, 675,
&end
#
# 0 AMB 20-2:846 164 LYS HG- 3.50 (# 846:20 Single Ambig)
&rst
ixpk= 846, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1035,1036,1035,1036,
igr2=1029,1030,
&end
#
# 171 LYS HB- 171 LYS HG- 6.00 (# 847:20 Unique 2.32, 2.78 A)
&rst
ixpk= 847, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1153,1154,
igr2=1156,1157,
&end
#
# 186 LEU HA 186 LEU MDY 4.50 (# 848:20 Unique 2.20, 4.11 A)
&rst
ixpk= 848, nxpk= 20, iat=1397, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1404,1405,1406,1408,1409,1410,
&end
#
# 0 AMB 20-2:849 186 LEU MDY 2.80 (# 849:20 Single Ambig)
&rst
ixpk= 849, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1399,1400,1402,
igr2=1404,1405,1406,1408,1409,1410,
&end
#
# 0 AMB 20-2:850 120 LEU MDX 4.50 (# 850:20 Single Ambig)
&rst
ixpk= 850, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 829, 263, 876,
igr2= 312, 313, 314, 316, 317, 318,
&end
#
# 0 AMB 20-2:851 120 LEU MDX 6.00 (# 851:20 Single Ambig)
&rst
ixpk= 851, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 847, 848, 305,
igr2= 312, 313, 314, 316, 317, 318,
&end
#
# 0 AMB 20-2:852 120 LEU MDX 4.50 (# 852:20 Single Ambig)
&rst
ixpk= 852, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 307, 308, 285, 286,
igr2= 312, 313, 314, 316, 317, 318,
&end
#
# 0 AMB 20-2:853 120 LEU MDX 6.00 (# 853:20 Single Ambig)
&rst
ixpk= 853, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 708, 816, 817,
igr2= 312, 313, 314, 316, 317, 318,
&end
#
# 0 AMB 20-2:854 120 LEU MDX 4.50 (# 854:20 Single Ambig)
&rst
ixpk= 854, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 797, 798, 310, 265, 266, 267, 288, 289,
igr2= 312, 313, 314, 316, 317, 318,
&end
#
# 0 AMB 20-2:855 146 LYS HG- 3.50 (# 855:20 Single Ambig)
&rst
ixpk= 855, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 740, 691,
igr2= 745, 746,
&end
#
# 0 AMB 20-2:856 0 AMB 20-1:856 3.50 (# 856:20 Double Ambig)
&rst
ixpk= 856, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1=1140,1141,1140,1141,1140,1141, 751, 752,
igr2=1134,1135,1134,1135,1134,1135, 745, 746,
&end
#
# 171 LYS HB+ 171 LYS HG+ 6.00 (# 857:20 Unique 2.32, 2.78 A)
&rst
ixpk= 857, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1153,1154,
igr2=1156,1157,
&end
#
# 0 AMB 20-2:858 0 AMB 20-1:858 4.50 (# 858:20 Double Ambig)
&rst
ixpk= 858, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1159,1160,1159,1160,
igr2=1156,1157,1156,1157,
&end
#
# 171 LYS HB+ 171 LYS HG+ 6.00 (# 859:20 Unique 2.32, 2.78 A)
&rst
ixpk= 859, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1153,1154,
igr2=1156,1157,
&end
#
# 171 LYS HB- 171 LYS HG+ 6.00 (# 860:20 Unique 2.32, 2.78 A)
&rst
ixpk= 860, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1153,1154,
igr2=1156,1157,
&end
#
# 171 LYS HD+ 171 LYS HG- 4.50 (# 861:20 Unique 2.40, 2.60 A)
&rst
ixpk= 861, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1159,1160,
igr2=1156,1157,
&end
#
# 171 LYS HB+ 171 LYS HG- 6.00 (# 862:20 Unique 2.32, 2.78 A)
&rst
ixpk= 862, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1153,1154,
igr2=1156,1157,
&end
#
# 187 GLU HB+ 186 LEU MDY 6.00 (# 863:20 Unique 3.60, 8.04 A)
&rst
ixpk= 863, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1418,1419,
igr2=1404,1405,1406,1408,1409,1410,
&end
#
# 0 AMB 20-2:864 0 AMB 20-1:864 3.50 (# 864:20 Double Ambig)
&rst
ixpk= 864, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 740, 691,
igr2= 745, 746, 745, 746,
&end
#
# 0 AMB 20-2:865 0 AMB 20-1:865 4.50 (# 865:20 Double Ambig)
&rst
ixpk= 865, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1281,1282,1283,1117,1118,1119,1121,1122,1123,
igr2=1134,1135,1134,1135,
&end
#
# 0 AMB 20-2:866 0 AMB 20-1:866 4.50 (# 866:20 Double Ambig)
&rst
ixpk= 866, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1320,1321,1320,1321, 693, 694,
igr2=1134,1135,1134,1135, 745, 746,
&end
#
# 0 AMB 20-2:867 146 LYS HG- 3.50 (# 867:20 Single Ambig)
&rst
ixpk= 867, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 742, 743, 742, 743,
igr2= 745, 746,
&end
#
# 0 AMB 20-2:868 0 AMB 20-1:868 6.00 (# 868:20 Double Ambig)
&rst
ixpk= 868, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 696, 697,1089,1090,1103,1104,
igr2= 745, 746,1134,1135,1134,1135,
&end
#
# 0 AMB 20-2:869 0 AMB 20-1:869 8.00 (# 869:20 Double Ambig)
&rst
ixpk= 869, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=14.54, r4=15.04,
igr1=1172,1173,1172,1173, 788, 789,
igr2=1134,1135,1134,1135, 745, 746,
&end
#
# 0 AMB 20-2:870 170 LYS HG- 6.00 (# 870:20 Single Ambig)
&rst
ixpk= 870, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=1281,1282,1283,1117,1118,1119,1121,1122,1123,
igr2=1134,1135,
&end
#
# 127 THR MG2 128 LEU MDX 6.00 (# 871:20 Unique 3.63, 7.10 A)
&rst
ixpk= 871, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 428, 429, 430,
igr2= 445, 446, 447, 449, 450, 451,
&end
#
# 0 AMB 20-2:872 128 LEU MDX 6.00 (# 872:20 Single Ambig)
&rst
ixpk= 872, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1277, 545,
igr2= 445, 446, 447, 449, 450, 451,
&end
#
# 177 TYR HB- 128 LEU MDX 6.00 (# 873:20 Unique 3.51, 5.63 A)
&rst
ixpk= 873, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1258,1259,
igr2= 445, 446, 447, 449, 450, 451,
&end
#
# 0 AMB 20-2:874 128 LEU MDX 6.00 (# 874:20 Single Ambig)
&rst
ixpk= 874, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
igr1=1258,1259, 946, 947,1115,
igr2= 445, 446, 447, 449, 450, 451,
&end
#
# 128 LEU HA 128 LEU MDX 3.50 (# 875:20 Unique 2.21, 3.89 A)
&rst
ixpk= 875, nxpk= 20, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 445, 446, 447, 449, 450, 451,
&end
#
# 0 AMB 20-2:876 128 LEU MDX 4.50 (# 876:20 Single Ambig)
&rst
ixpk= 876, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 440, 441, 440, 441,
igr2= 445, 446, 447, 449, 450, 451,
&end
#
# 128 LEU HG 128 LEU MDX 3.50 (# 877:20 Unique 2.40, 2.67 A)
&rst
ixpk= 877, nxpk= 20, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 445, 446, 447, 449, 450, 451,
&end
#
# 0 AMB 20-2:878 0 AMB 20-1:878 6.00 (# 878:20 Double Ambig)
&rst
ixpk= 878, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 941, 814,
igr2= 993, 994, 995, 997, 998, 999, 312, 313, 314, 316,
317, 318,
&end
#
# 0 AMB 20-2:879 120 LEU MDY 6.00 (# 879:20 Single Ambig)
&rst
ixpk= 879, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 847, 848, 779, 780, 779, 780,
igr2= 312, 313, 314, 316, 317, 318,
&end
#
# 0 AMB 20-2:880 0 AMB 20-1:880 4.50 (# 880:20 Double Ambig)
&rst
ixpk= 880, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 829, 263, 324, 876,
igr2= 312, 313, 314, 316, 317, 318, 993, 994, 995, 997,
998, 999,
&end
#
# 0 AMB 20-2:881 0 AMB 20-1:881 4.50 (# 881:20 Double Ambig)
&rst
ixpk= 881, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 847, 848, 986, 305,
igr2= 312, 313, 314, 316, 317, 318, 993, 994, 995, 997,
998, 999,
&end
#
# 116 LYS HB+ 120 LEU MDY 6.00 (# 882:20 Unique 3.10, 7.71 A)
&rst
ixpk= 882, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 243, 244,
igr2= 312, 313, 314, 316, 317, 318,
&end
#
# 0 AMB 20-2:883 0 AMB 20-1:883 4.50 (# 883:20 Double Ambig)
&rst
ixpk= 883, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.82, r4=10.32,
igr1= 307, 308, 285, 286, 326, 327, 950, 951, 952,
igr2= 312, 313, 314, 316, 317, 318, 993, 994, 995, 997,
998, 999,
&end
#
# 0 AMB 20-2:884 120 LEU MDY 4.50 (# 884:20 Single Ambig)
&rst
ixpk= 884, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 797, 798, 307, 308,
igr2= 312, 313, 314, 316, 317, 318,
&end
#
# 0 AMB 20-2:885 0 AMB 20-1:885 3.50 (# 885:20 Double Ambig)
&rst
ixpk= 885, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.12, r4= 8.62,
igr1= 710, 711, 712,1117,1118,1119,1121,1122,1123, 717,
718, 719, 991,
igr2= 312, 313, 314, 316, 317, 318, 993, 994, 995, 997,
998, 999,
&end
#
# 0 AMB 20-2:886 0 AMB 20-1:886 3.50 (# 886:20 Double Ambig)
&rst
ixpk= 886, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 375, 376, 377, 310, 853, 854,
igr2= 993, 994, 995, 997, 998, 999, 312, 313, 314, 316,
317, 318,
&end
#
# 187 GLU HA 186 LEU MDX 6.00 (# 887:20 Unique 2.87, 7.06 A)
&rst
ixpk= 887, nxpk= 20, iat=1416, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1404,1405,1406,1408,1409,1410,
&end
#
# 186 LEU HA 186 LEU MDX 3.50 (# 888:20 Unique 2.20, 4.11 A)
&rst
ixpk= 888, nxpk= 20, iat=1397, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1404,1405,1406,1408,1409,1410,
&end
#
# 0 AMB 20-2:889 186 LEU MDX 2.80 (# 889:20 Single Ambig)
&rst
ixpk= 889, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1399,1400,1402,
igr2=1404,1405,1406,1408,1409,1410,
&end
#
# 0 AMB 20-2:890 0 AMB 20-1:890 4.50 (# 890:20 Double Ambig)
&rst
ixpk= 890, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 816, 817, 708, 620, 621,
igr2= 802, 803, 804, 806, 807, 808, 640, 641, 642, 644,
645, 646,
&end
#
# 0 AMB 20-2:891 0 AMB 20-1:891 3.50 (# 891:20 Double Ambig)
&rst
ixpk= 891, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.90, r4= 8.40,
igr1= 291, 292, 797, 798, 288, 289, 246, 247, 375, 376,
377,
igr2= 802, 803, 804, 806, 807, 808, 640, 641, 642, 644,
645, 646,
&end
#
# 0 AMB 20-2:892 150 LEU MDX 2.80 (# 892:20 Single Ambig)
&rst
ixpk= 892, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 288, 289, 800, 246, 247,
igr2= 802, 803, 804, 806, 807, 808,
&end
#
# 0 AMB 20-2:893 150 LEU MDX 4.50 (# 893:20 Single Ambig)
&rst
ixpk= 893, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
igr1= 312, 313, 314, 316, 317, 318, 840, 841, 842,
igr2= 802, 803, 804, 806, 807, 808,
&end
#
# 148 SER HA 150 LEU MDX 6.00 (# 894:20 Unique 3.92, 6.40 A)
&rst
ixpk= 894, nxpk= 20, iat= 777, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 802, 803, 804, 806, 807, 808,
&end
#
# 0 AMB 20-2:895 150 LEU MDX 3.50 (# 895:20 Single Ambig)
&rst
ixpk= 895, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 252, 253, 294, 295,
igr2= 802, 803, 804, 806, 807, 808,
&end
#
# 219 CYT H3' 156 THR MG2 4.50 (# 896:20 Unique 4.43, 5.53 A)
&rst
ixpk= 896, nxpk= 20, iat=2355, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 897, 898, 899,
&end
#
# 220 THY H5M 156 THR MG2 6.00 (# 897:20 Unique 5.29, 7.18 A)
&rst
ixpk= 897, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=2377,2378,2379,
igr2= 897, 898, 899,
&end
#
# 0 AMB 20-2:898 0 AMB 20-1:898 4.50 (# 898:20 Double Ambig)
&rst
ixpk= 898, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 963, 964, 696, 697,
igr2= 897, 898, 899, 428, 429, 430,
&end
#
# 0 AMB 20-2:899 0 AMB 20-1:899 4.50 (# 899:20 Double Ambig)
&rst
ixpk= 899, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 764, 765, 878, 879, 742, 743, 742, 743,
igr2= 428, 429, 430, 897, 898, 899,
&end
#
# 0 AMB 20-2:900 0 AMB 20-1:900 4.50 (# 900:20 Double Ambig)
&rst
ixpk= 900, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.05, r4= 9.55,
igr1= 484, 485,1210,1211, 943, 944,1159,1160, 375, 376,
377,
igr2= 428, 429, 430, 897, 898, 899,
&end
#
# 0 AMB 20-2:901 127 THR MG2 3.50 (# 901:20 Single Ambig)
&rst
ixpk= 901, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 426, 691,
igr2= 428, 429, 430,
&end
#
# 0 AMB 20-2:902 127 THR MG2 3.50 (# 902:20 Single Ambig)
&rst
ixpk= 902, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 424, 373,
igr2= 428, 429, 430,
&end
#
# 0 AMB 20-2:903 0 AMB 20-1:903 4.50 (# 903:20 Double Ambig)
&rst
ixpk= 903, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.39, r4= 8.89,
igr1= 767, 768, 696, 697,2357, 878, 879,
igr2= 428, 429, 430, 897, 898, 899,
&end
#
# 0 AMB 20-2:904 0 AMB 20-1:904 4.50 (# 904:20 Double Ambig)
&rst
ixpk= 904, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=2358, 484, 485,1210,1211, 708,
igr2= 897, 898, 899, 428, 429, 430,
&end
#
# 0 AMB 20-2:905 127 THR MG2 4.50 (# 905:20 Single Ambig)
&rst
ixpk= 905, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 693, 694, 764, 765,
igr2= 428, 429, 430,
&end
#
# 140 LEU MDX 127 THR MG2 3.50 (# 906:20 Unique 2.41, 5.29 A)
&rst
ixpk= 906, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 640, 641, 642, 644, 645, 646,
igr2= 428, 429, 430,
&end
#
# 0 AMB 20-2:907 127 THR MG2 4.50 (# 907:20 Single Ambig)
&rst
ixpk= 907, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 717, 718, 719, 710, 711, 712,
igr2= 428, 429, 430,
&end
#
# 135 ILE QD1 127 THR MG2 4.50 (# 908:20 Unique 4.35, 6.21 A)
&rst
ixpk= 908, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 566, 567, 568,
igr2= 428, 429, 430,
&end
#
# 0 AMB 20-2:909 0 AMB 20-1:909 6.00 (# 909:20 Double Ambig)
&rst
ixpk= 909, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1= 696, 697, 730, 731,
igr2= 640, 641, 642, 644, 645, 646, 802, 803, 804, 806,
807, 808,
&end
#
# 0 AMB 20-2:910 140 LEU MDX 6.00 (# 910:20 Single Ambig)
&rst
ixpk= 910, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 946, 947, 696, 697,
igr2= 640, 641, 642, 644, 645, 646,
&end
#
# 135 ILE QD1 140 LEU MDX 3.50 (# 911:20 Unique 2.57, 5.32 A)
&rst
ixpk= 911, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 566, 567, 568,
igr2= 640, 641, 642, 644, 645, 646,
&end
#
# 0 AMB 20-2:912 0 AMB 20-1:912 4.50 (# 912:20 Double Ambig)
&rst
ixpk= 912, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 426, 725, 283, 829,
igr2= 640, 641, 642, 644, 645, 646, 802, 803, 804, 806,
807, 808,
&end
#
# 0 AMB 20-2:913 140 LEU MDX 3.50 (# 913:20 Single Ambig)
&rst
ixpk= 913, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 633, 438,
igr2= 640, 641, 642, 644, 645, 646,
&end
#
# 143 GLU HB- 140 LEU MDX 4.50 (# 914:20 Unique 2.49, 5.67 A)
&rst
ixpk= 914, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 693, 694,
igr2= 640, 641, 642, 644, 645, 646,
&end
#
# 0 AMB 20-2:915 0 AMB 20-1:915 3.50 (# 915:20 Double Ambig)
&rst
ixpk= 915, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 950, 951, 952, 285, 286,
igr2= 640, 641, 642, 644, 645, 646, 802, 803, 804, 806,
807, 808,
&end
#
# 127 THR MG2 140 LEU MDX 3.50 (# 916:20 Unique 2.41, 5.29 A)
&rst
ixpk= 916, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 428, 429, 430,
igr2= 640, 641, 642, 644, 645, 646,
&end
#
# 169 VAL HA 169 VAL MGY 3.50 (# 917:20 Unique 2.42, 3.14 A)
&rst
ixpk= 917, nxpk= 20, iat=1113, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1117,1118,1119,1121,1122,1123,
&end
#
# 163 ILE HA 169 VAL MGY 6.00 (# 918:20 Unique 3.67, 4.51 A)
&rst
ixpk= 918, nxpk= 20, iat=1005, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1117,1118,1119,1121,1122,1123,
&end
#
# 166 TYR HB+ 169 VAL MGY 4.50 (# 919:20 Unique 2.32, 5.10 A)
&rst
ixpk= 919, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1065,1066,
igr2=1117,1118,1119,1121,1122,1123,
&end
#
# 0 AMB 20-2:920 169 VAL MGY 4.50 (# 920:20 Single Ambig)
&rst
ixpk= 920, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1065,1066,1258,1259,
igr2=1117,1118,1119,1121,1122,1123,
&end
#
# 0 AMB 20-2:921 169 VAL MGY 3.50 (# 921:20 Single Ambig)
&rst
ixpk= 921, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1115, 946, 947,
igr2=1117,1118,1119,1121,1122,1123,
&end
#
# 0 AMB 20-2:922 169 VAL MGY 4.50 (# 922:20 Single Ambig)
&rst
ixpk= 922, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 988, 989,1100,1101,
igr2=1117,1118,1119,1121,1122,1123,
&end
#
# 179 LEU HB- 169 VAL MGY 4.50 (# 923:20 Unique 2.31, 4.88 A)
&rst
ixpk= 923, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1298,1299,
igr2=1117,1118,1119,1121,1122,1123,
&end
#
# 179 LEU HG 169 VAL MGY 4.50 (# 924:20 Unique 2.46, 5.51 A)
&rst
ixpk= 924, nxpk= 20, iat=1301, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1117,1118,1119,1121,1122,1123,
&end
#
# 125 ILE QD1 169 VAL MGY 4.50 (# 925:20 Unique 3.03, 6.27 A)
&rst
ixpk= 925, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 394, 395, 396,
igr2=1117,1118,1119,1121,1122,1123,
&end
#
# 0 AMB 20-2:926 157 THR MG2 3.50 (# 926:20 Single Ambig)
&rst
ixpk= 926, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 909,2303,
igr2= 911, 912, 913,
&end
#
# 0 AMB 20-2:927 157 THR MG2 3.50 (# 927:20 Single Ambig)
&rst
ixpk= 927, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 907, 895,
igr2= 911, 912, 913,
&end
#
# 113 PRO HB+ 157 THR MG2 6.00 (# 928:20 Unique 2.86, 6.56 A)
&rst
ixpk= 928, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 214, 215,
igr2= 911, 912, 913,
&end
#
# 0 AMB 20-2:929 157 THR MG2 6.00 (# 929:20 Single Ambig)
&rst
ixpk= 929, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 211, 212, 960, 961,
igr2= 911, 912, 913,
&end
#
# 131 HIS HB+ 133 ALA MB 6.00 (# 930:20 Unique 4.17, 6.61 A)
&rst
ixpk= 930, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 505, 506,
igr2= 537, 538, 539,
&end
#
# 131 HIS HB- 133 ALA MB 6.00 (# 931:20 Unique 4.17, 6.61 A)
&rst
ixpk= 931, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 505, 506,
igr2= 537, 538, 539,
&end
#
# 103 THR HA 103 THR MG2 4.50 (# 932:20 Unique 2.34, 3.48 A)
&rst
ixpk= 932, nxpk= 20, iat= 30, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 34, 35, 36,
&end
#
# 209 THY H2' 110 THR MG2 6.00 (# 933:20 Unique 4.46, 5.54 A)
&rst
ixpk= 933, nxpk= 20, iat=2041, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 165, 166, 167,
&end
#
# 0 AMB 20-2:934 0 AMB 20-1:934 2.80 (# 934:20 Double Ambig)
&rst
ixpk= 934, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 44, 175,2052, 58, 161,
igr2= 48, 49, 50, 165, 166, 167, 34, 35, 36,
&end
#
# 0 AMB 20-2:935 0 AMB 20-1:935 2.80 (# 935:20 Double Ambig)
&rst
ixpk= 935, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 163, 32, 46,
igr2= 165, 166, 167, 34, 35, 36, 48, 49, 50,
&end
#
# 0 AMB 20-2:936 110 THR MG2 4.50 (# 936:20 Single Ambig)
&rst
ixpk= 936, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=2050, 154, 155,2017,2018,
igr2= 165, 166, 167,
&end
#
# 169 VAL HA 169 VAL MGX 4.50 (# 937:20 Unique 2.42, 3.14 A)
&rst
ixpk= 937, nxpk= 20, iat=1113, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1117,1118,1119,1121,1122,1123,
&end
#
# 163 ILE HA 169 VAL MGX 6.00 (# 938:20 Unique 3.67, 4.51 A)
&rst
ixpk= 938, nxpk= 20, iat=1005, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1117,1118,1119,1121,1122,1123,
&end
#
# 0 AMB 20-2:939 169 VAL MGX 6.00 (# 939:20 Single Ambig)
&rst
ixpk= 939, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1065,1066,1258,1259,
igr2=1117,1118,1119,1121,1122,1123,
&end
#
# 179 LEU HB- 169 VAL MGX 4.50 (# 940:20 Unique 2.31, 4.88 A)
&rst
ixpk= 940, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1298,1299,
igr2=1117,1118,1119,1121,1122,1123,
&end
#
# 125 ILE QD1 169 VAL MGX 6.00 (# 941:20 Unique 3.03, 6.27 A)
&rst
ixpk= 941, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 394, 395, 396,
igr2=1117,1118,1119,1121,1122,1123,
&end
#
# 163 ILE HG1- 169 VAL MGX 4.50 (# 942:20 Unique 2.42, 4.22 A)
&rst
ixpk= 942, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1013,1014,
igr2=1117,1118,1119,1121,1122,1123,
&end
#
# 0 AMB 20-2:943 169 VAL MGX 4.50 (# 943:20 Single Ambig)
&rst
ixpk= 943, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1298,1299,1013,1014,
igr2=1117,1118,1119,1121,1122,1123,
&end
#
# 133 ALA HA 133 ALA MB 2.80 (# 944:20 Unique 2.45, 2.66 A)
&rst
ixpk= 944, nxpk= 20, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 537, 538, 539,
&end
#
# 178 ILE QD1 133 ALA MB 6.00 (# 945:20 Unique 4.35, 5.84 A)
&rst
ixpk= 945, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1288,1289,1290,
igr2= 537, 538, 539,
&end
#
# 132 ASN HB+ 133 ALA MB 6.00 (# 946:20 Unique 3.87, 5.72 A)
&rst
ixpk= 946, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 523, 524,
igr2= 537, 538, 539,
&end
#
# 132 ASN HB- 133 ALA MB 6.00 (# 947:20 Unique 3.87, 5.72 A)
&rst
ixpk= 947, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 523, 524,
igr2= 537, 538, 539,
&end
#
# 0 AMB 20-2:948 124 ALA MB 6.00 (# 948:20 Single Ambig)
&rst
ixpk= 948, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 383, 652,
igr2= 375, 376, 377,
&end
#
# 0 AMB 20-2:949 124 ALA MB 3.50 (# 949:20 Single Ambig)
&rst
ixpk= 949, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 717, 718, 719, 710, 711, 712,
igr2= 375, 376, 377,
&end
#
# 0 AMB 20-2:950 124 ALA MB 4.50 (# 950:20 Single Ambig)
&rst
ixpk= 950, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 988, 989, 385, 326, 327,
igr2= 375, 376, 377,
&end
#
# 0 AMB 20-2:951 124 ALA MB 6.00 (# 951:20 Single Ambig)
&rst
ixpk= 951, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1= 428, 429, 430, 391, 392,
igr2= 375, 376, 377,
&end
#
# 162 LEU MDX 124 ALA MB 4.50 (# 952:20 Unique 2.25, 4.79 A)
&rst
ixpk= 952, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 993, 994, 995, 997, 998, 999,
igr2= 375, 376, 377,
&end
#
# 125 ILE QD1 124 ALA MB 6.00 (# 953:20 Unique 3.13, 5.00 A)
&rst
ixpk= 953, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 394, 395, 396,
igr2= 375, 376, 377,
&end
#
# 113 PRO HD- 111 ALA MB 6.00 (# 954:20 Unique 5.70, 6.99 A)
&rst
ixpk= 954, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 208, 209,
igr2= 177, 178, 179,
&end
#
# 0 AMB 20-2:955 111 ALA MB 2.80 (# 955:20 Single Ambig)
&rst
ixpk= 955, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 175,2274,
igr2= 177, 178, 179,
&end
#
# 0 AMB 20-2:956 111 ALA MB 8.00 (# 956:20 Single Ambig)
&rst
ixpk= 956, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=2242,2303,
igr2= 177, 178, 179,
&end
#
# 0 AMB 20-2:957 111 ALA MB 4.50 (# 957:20 Single Ambig)
&rst
ixpk= 957, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=2272,2017,1986, 154, 155,2239,
igr2= 177, 178, 179,
&end
#
# 113 PRO HD+ 111 ALA MB 6.00 (# 958:20 Unique 5.70, 6.99 A)
&rst
ixpk= 958, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 208, 209,
igr2= 177, 178, 179,
&end
#
# 112 ARG HD+ 111 ALA MB 6.00 (# 959:20 Unique 4.03, 6.22 A)
&rst
ixpk= 959, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 193, 194,
igr2= 177, 178, 179,
&end
#
# 209 THY H2' 111 ALA MB 6.00 (# 960:20 Unique 7.18, 7.99 A)
&rst
ixpk= 960, nxpk= 20, iat=2041, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 177, 178, 179,
&end
#
# 216 THY H2'' 111 ALA MB 8.00 (# 961:20 Unique 2.58, 5.16 A)
&rst
ixpk= 961, nxpk= 20, iat=2264, -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr2= 177, 178, 179,
&end
#
# 112 ARG HG+ 111 ALA MB 6.00 (# 962:20 Unique 4.45, 6.31 A)
&rst
ixpk= 962, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 190, 191,
igr2= 177, 178, 179,
&end
#
# 124 ALA HA 124 ALA MB 3.50 (# 963:20 Unique 2.38, 2.66 A)
&rst
ixpk= 963, nxpk= 20, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 375, 376, 377,
&end
#
# 0 AMB 20-2:964 124 ALA MB 6.00 (# 964:20 Single Ambig)
&rst
ixpk= 964, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 767, 768, 943, 944,
igr2= 375, 376, 377,
&end
#
# 0 AMB 20-2:965 124 ALA MB 4.50 (# 965:20 Single Ambig)
&rst
ixpk= 965, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 950, 951, 952, 307, 308,
igr2= 375, 376, 377,
&end
#
# 0 AMB 20-2:966 124 ALA MB 6.00 (# 966:20 Single Ambig)
&rst
ixpk= 966, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.39, r4=10.89,
igr1= 993, 994, 995, 997, 998, 999, 840, 841, 842,
igr2= 375, 376, 377,
&end
#
# 148 SER HA 123 ALA MB 6.00 (# 967:20 Unique 2.97, 4.72 A)
&rst
ixpk= 967, nxpk= 20, iat= 777, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 365, 366, 367,
&end
#
# 123 ALA HA 123 ALA MB 3.50 (# 968:20 Unique 2.39, 2.66 A)
&rst
ixpk= 968, nxpk= 20, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 365, 366, 367,
&end
#
# 120 LEU HA 123 ALA MB 4.50 (# 969:20 Unique 2.22, 3.56 A)
&rst
ixpk= 969, nxpk= 20, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 365, 366, 367,
&end
#
# 0 AMB 20-2:970 123 ALA MB 4.50 (# 970:20 Single Ambig)
&rst
ixpk= 970, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 779, 780, 779, 780,
igr2= 365, 366, 367,
&end
#
# 144 ILE HA 123 ALA MB 4.50 (# 971:20 Unique 3.13, 4.72 A)
&rst
ixpk= 971, nxpk= 20, iat= 706, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 365, 366, 367,
&end
#
# 122 GLU HG+ 123 ALA MB 6.00 (# 972:20 Unique 3.76, 6.83 A)
&rst
ixpk= 972, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 353, 354,
igr2= 365, 366, 367,
&end
#
# 0 AMB 20-2:973 123 ALA MB 4.50 (# 973:20 Single Ambig)
&rst
ixpk= 973, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 767, 768, 353, 354,
igr2= 365, 366, 367,
&end
#
# 0 AMB 20-2:974 123 ALA MB 3.50 (# 974:20 Single Ambig)
&rst
ixpk= 974, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 764, 765, 714, 715,
igr2= 365, 366, 367,
&end
#
# 0 AMB 20-2:975 123 ALA MB 6.00 (# 975:20 Single Ambig)
&rst
ixpk= 975, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 291, 292, 708,
igr2= 365, 366, 367,
&end
#
# 0 AMB 20-2:976 123 ALA MB 3.50 (# 976:20 Single Ambig)
&rst
ixpk= 976, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 710, 711, 712, 717, 718, 719,
igr2= 365, 366, 367,
&end
#
# 0 AMB 20-2:977 123 ALA MB 4.50 (# 977:20 Single Ambig)
&rst
ixpk= 977, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1= 312, 313, 314, 316, 317, 318, 840, 841, 842,
igr2= 365, 366, 367,
&end
#
# 122 GLU HA 123 ALA MB 6.00 (# 978:20 Unique 5.67, 6.12 A)
&rst
ixpk= 978, nxpk= 20, iat= 348, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 365, 366, 367,
&end
#
# 0 AMB 20-2:979 144 ILE QG2 4.50 (# 979:20 Single Ambig)
&rst
ixpk= 979, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 725, 829, 324,
igr2= 710, 711, 712,
&end
#
# 144 ILE HA 144 ILE QG2 4.50 (# 980:20 Unique 2.31, 3.18 A)
&rst
ixpk= 980, nxpk= 20, iat= 706, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 710, 711, 712,
&end
#
# 0 AMB 20-2:981 144 ILE QG2 4.50 (# 981:20 Single Ambig)
&rst
ixpk= 981, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 767, 768, 657, 658,
igr2= 710, 711, 712,
&end
#
# 123 ALA MB 144 ILE QG2 3.50 (# 982:20 Unique 2.24, 3.70 A)
&rst
ixpk= 982, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 365, 366, 367,
igr2= 710, 711, 712,
&end
#
# 0 AMB 20-2:983 144 ILE QG2 2.80 (# 983:20 Single Ambig)
&rst
ixpk= 983, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 312, 313, 314, 316, 317, 318, 840, 841, 842,
igr2= 710, 711, 712,
&end
#
# 0 AMB 20-2:984 144 ILE QG2 4.50 (# 984:20 Single Ambig)
&rst
ixpk= 984, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 305, 373,
igr2= 710, 711, 712,
&end
#
# 0 AMB 20-2:985 144 ILE QG2 3.50 (# 985:20 Single Ambig)
&rst
ixpk= 985, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 714, 715, 764, 765,
igr2= 710, 711, 712,
&end
#
# 144 ILE HB 144 ILE QG2 4.50 (# 986:20 Unique 2.40, 2.69 A)
&rst
ixpk= 986, nxpk= 20, iat= 708, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 710, 711, 712,
&end
#
# 117 ALA HA 117 ALA MB 3.50 (# 987:20 Unique 2.42, 2.65 A)
&rst
ixpk= 987, nxpk= 20, iat= 263, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 265, 266, 267,
&end
#
# 0 AMB 20-2:988 118 ALA MB 6.00 (# 988:20 Single Ambig)
&rst
ixpk= 988, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 285, 286, 850, 851,
igr2= 275, 276, 277,
&end
#
# 115 SER HB- 118 ALA MB 6.00 (# 989:20 Unique 5.25, 7.34 A)
&rst
ixpk= 989, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 232, 233,
igr2= 275, 276, 277,
&end
#
# 118 ALA HA 118 ALA MB 3.50 (# 990:20 Unique 2.43, 2.66 A)
&rst
ixpk= 990, nxpk= 20, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 275, 276, 277,
&end
#
# 0 AMB 20-2:991 118 ALA MB 6.00 (# 991:20 Single Ambig)
&rst
ixpk= 991, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 326, 327, 285, 286, 243, 244,
igr2= 275, 276, 277,
&end
#
# 134 ALA HA 134 ALA MB 2.80 (# 992:20 Unique 2.42, 2.66 A)
&rst
ixpk= 992, nxpk= 20, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 547, 548, 549,
&end
#
# 172 PRO HD- 134 ALA MB 6.00 (# 993:20 Unique 3.67, 5.11 A)
&rst
ixpk= 993, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1172,1173,
igr2= 547, 548, 549,
&end
#
# 176 GLN HG+ 134 ALA MB 6.00 (# 994:20 Unique 4.80, 7.03 A)
&rst
ixpk= 994, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1244,1245,
igr2= 547, 548, 549,
&end
#
# 0 AMB 20-2:995 134 ALA MB 4.50 (# 995:20 Single Ambig)
&rst
ixpk= 995, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1178,1179,1244,1245,
igr2= 547, 548, 549,
&end
#
# 176 GLN HB- 134 ALA MB 4.50 (# 996:20 Unique 3.15, 5.30 A)
&rst
ixpk= 996, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1241,1242,
igr2= 547, 548, 549,
&end
#
# 172 PRO HG+ 134 ALA MB 4.50 (# 997:20 Unique 2.38, 3.64 A)
&rst
ixpk= 997, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1175,1176,
igr2= 547, 548, 549,
&end
#
# 0 AMB 20-2:998 134 ALA MB 4.50 (# 998:20 Single Ambig)
&rst
ixpk= 998, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1178,1179, 537, 538, 539,
igr2= 547, 548, 549,
&end
#
# 178 ILE HG1+ 134 ALA MB 6.00 (# 999:20 Unique 3.49, 5.24 A)
&rst
ixpk= 999, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1285,1286,
igr2= 547, 548, 549,
&end
#
# 178 ILE QG2 134 ALA MB 4.50 (# 1000:20 Unique 3.63, 5.54 A)
&rst
ixpk= 1000, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1281,1282,1283,
igr2= 547, 548, 549,
&end
#
# 0 AMB 20-2:1001 117 ALA MB 8.00 (# 1001:20 Single Ambig)
&rst
ixpk= 1001, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1=1954, 217, 232, 233,
igr2= 265, 266, 267,
&end
#
# 137 SER HA 159 MET ME 4.50 (# 1002:20 Unique 2.37, 4.18 A)
&rst
ixpk= 1002, nxpk= 20, iat= 596, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 950, 951, 952,
&end
#
# 141 GLN HA 159 MET ME 6.00 (# 1003:20 Unique 4.32, 5.71 A)
&rst
ixpk= 1003, nxpk= 20, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 950, 951, 952,
&end
#
# 155 MET HG+ 159 MET ME 4.50 (# 1004:20 Unique 2.52, 4.78 A)
&rst
ixpk= 1004, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 881, 882,
igr2= 950, 951, 952,
&end
#
# 140 LEU HB+ 159 MET ME 4.50 (# 1005:20 Unique 3.01, 4.70 A)
&rst
ixpk= 1005, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 635, 636,
igr2= 950, 951, 952,
&end
#
# 0 AMB 20-2:1006 159 MET ME 4.50 (# 1006:20 Single Ambig)
&rst
ixpk= 1006, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1= 993, 994, 995, 997, 998, 999, 559, 560, 561,
igr2= 950, 951, 952,
&end
#
# 0 AMB 20-2:1007 159 MET ME 4.50 (# 1007:20 Single Ambig)
&rst
ixpk= 1007, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 638, 717, 718, 719,
igr2= 950, 951, 952,
&end
#
# 159 MET HG+ 159 MET ME 6.00 (# 1008:20 Unique 2.55, 3.26 A)
&rst
ixpk= 1008, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 946, 947,
igr2= 950, 951, 952,
&end
#
# 0 AMB 20-2:1009 159 MET ME 4.50 (# 1009:20 Single Ambig)
&rst
ixpk= 1009, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 840, 841, 842, 993, 994, 995, 997, 998, 999, 312,
313, 314, 316, 317, 318,
igr2= 950, 951, 952,
&end
#
# 0 AMB 20-2:1010 183 ILE QG2 4.50 (# 1010:20 Single Ambig)
&rst
ixpk= 1010, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1376,1377,1376,1377,
igr2=1356,1357,1358,
&end
#
# 0 AMB 20-2:1011 183 ILE QG2 3.50 (# 1011:20 Single Ambig)
&rst
ixpk= 1011, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1352, 457,
igr2=1356,1357,1358,
&end
#
# 0 AMB 20-2:1012 183 ILE QG2 6.00 (# 1012:20 Single Ambig)
&rst
ixpk= 1012, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1373,1374,1339,1340,
igr2=1356,1357,1358,
&end
#
# 0 AMB 20-2:1013 183 ILE QG2 6.00 (# 1013:20 Single Ambig)
&rst
ixpk= 1013, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.97, r4=10.47,
igr1=1339,1340, 385, 459, 460, 459, 460,
igr2=1356,1357,1358,
&end
#
# 183 ILE HB 183 ILE QG2 2.80 (# 1014:20 Unique 2.38, 2.66 A)
&rst
ixpk= 1014, nxpk= 20, iat=1354, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1356,1357,1358,
&end
#
# 0 AMB 20-2:1015 183 ILE QG2 4.50 (# 1015:20 Single Ambig)
&rst
ixpk= 1015, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 465, 466, 465, 466, 462, 463,
igr2=1356,1357,1358,
&end
#
# 0 AMB 20-2:1016 183 ILE QG2 3.50 (# 1016:20 Single Ambig)
&rst
ixpk= 1016, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1360,1361, 462, 463,
igr2=1356,1357,1358,
&end
#
# 183 ILE HG1+ 183 ILE QG2 3.50 (# 1017:20 Unique 2.29, 3.08 A)
&rst
ixpk= 1017, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1360,1361,
igr2=1356,1357,1358,
&end
#
# 125 ILE QG2 183 ILE QG2 3.50 (# 1018:20 Unique 2.27, 4.28 A)
&rst
ixpk= 1018, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 387, 388, 389,
igr2=1356,1357,1358,
&end
#
# 0 AMB 20-2:1019 183 ILE QG2 6.00 (# 1019:20 Single Ambig)
&rst
ixpk= 1019, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1337,1386,
igr2=1356,1357,1358,
&end
#
# 184 GLU HA 183 ILE QG2 6.00 (# 1020:20 Unique 3.43, 4.66 A)
&rst
ixpk= 1020, nxpk= 20, iat=1371, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1356,1357,1358,
&end
#
# 129 LYS HE+ 183 ILE QG2 6.00 (# 1021:20 Unique 2.19, 4.79 A)
&rst
ixpk= 1021, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 468, 469,
igr2=1356,1357,1358,
&end
#
# 125 ILE HG1- 183 ILE QG2 6.00 (# 1022:20 Unique 2.26, 3.85 A)
&rst
ixpk= 1022, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 391, 392,
igr2=1356,1357,1358,
&end
#
# 125 ILE QD1 183 ILE QG2 4.50 (# 1023:20 Unique 3.45, 5.76 A)
&rst
ixpk= 1023, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 394, 395, 396,
igr2=1356,1357,1358,
&end
#
# 0 AMB 20-2:1024 125 ILE QG2 6.00 (# 1024:20 Single Ambig)
&rst
ixpk= 1024, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 324,1352, 457, 426,
igr2= 387, 388, 389,
&end
#
# 122 GLU HA 125 ILE QG2 4.50 (# 1025:20 Unique 3.51, 4.99 A)
&rst
ixpk= 1025, nxpk= 20, iat= 348, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 387, 388, 389,
&end
#
# 126 LYS HA 125 ILE QG2 4.50 (# 1026:20 Unique 3.43, 4.45 A)
&rst
ixpk= 1026, nxpk= 20, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 387, 388, 389,
&end
#
# 125 ILE HA 125 ILE QG2 4.50 (# 1027:20 Unique 2.90, 3.62 A)
&rst
ixpk= 1027, nxpk= 20, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 387, 388, 389,
&end
#
# 129 LYS HE+ 125 ILE QG2 4.50 (# 1028:20 Unique 2.44, 4.29 A)
&rst
ixpk= 1028, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 468, 469,
igr2= 387, 388, 389,
&end
#
# 184 GLU HG- 125 ILE QG2 6.00 (# 1029:20 Unique 2.47, 7.20 A)
&rst
ixpk= 1029, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1376,1377,
igr2= 387, 388, 389,
&end
#
# 125 ILE HB 125 ILE QG2 2.80 (# 1030:20 Unique 2.40, 2.65 A)
&rst
ixpk= 1030, nxpk= 20, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 387, 388, 389,
&end
#
# 0 AMB 20-2:1031 125 ILE QG2 3.50 (# 1031:20 Single Ambig)
&rst
ixpk= 1031, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 462, 463, 465, 466, 465, 466,
igr2= 387, 388, 389,
&end
#
# 0 AMB 20-2:1032 125 ILE QG2 4.50 (# 1032:20 Single Ambig)
&rst
ixpk= 1032, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 462, 463,1360,1361,
igr2= 387, 388, 389,
&end
#
# 125 ILE HG1+ 125 ILE QG2 3.50 (# 1033:20 Unique 2.30, 3.07 A)
&rst
ixpk= 1033, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 391, 392,
igr2= 387, 388, 389,
&end
#
# 158 PHE HB+ 152 ILE QG2 8.00 (# 1034:20 Unique 3.74, 6.32 A)
&rst
ixpk= 1034, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 923, 924,
igr2= 833, 834, 835,
&end
#
# 121 ARG HD+ 165 MET ME 8.00 (# 1035:20 Unique 2.25, 4.46 A)
&rst
ixpk= 1035, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 332, 333,
igr2=1055,1056,1057,
&end
#
# 0 AMB 20-2:1036 155 MET ME 6.00 (# 1036:20 Single Ambig)
&rst
ixpk= 1036, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1892,1890,1922,
igr2= 885, 886, 887,
&end
#
# 155 MET HG+ 155 MET ME 6.00 (# 1037:20 Unique 2.37, 3.68 A)
&rst
ixpk= 1037, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 881, 882,
igr2= 885, 886, 887,
&end
#
# 125 ILE HG1+ 165 MET ME 8.00 (# 1038:20 Unique 5.76, 8.40 A)
&rst
ixpk= 1038, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 391, 392,
igr2=1055,1056,1057,
&end
#
# 0 AMB 20-2:1039 135 ILE QG2 6.00 (# 1039:20 Single Ambig)
&rst
ixpk= 1039, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 443,1175,1176,
igr2= 559, 560, 561,
&end
#
# 0 AMB 20-2:1040 152 ILE QG2 6.00 (# 1040:20 Single Ambig)
&rst
ixpk= 1040, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 814, 856,
igr2= 833, 834, 835,
&end
#
# 158 PHE HB- 152 ILE QG2 6.00 (# 1041:20 Unique 3.74, 6.32 A)
&rst
ixpk= 1041, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 923, 924,
igr2= 833, 834, 835,
&end
#
# 155 MET HG+ 152 ILE QG2 6.00 (# 1042:20 Unique 2.40, 4.24 A)
&rst
ixpk= 1042, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 881, 882,
igr2= 833, 834, 835,
&end
#
# 153 PRO HB+ 152 ILE QG2 6.00 (# 1043:20 Unique 4.12, 6.00 A)
&rst
ixpk= 1043, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 853, 854,
igr2= 833, 834, 835,
&end
#
# 0 AMB 20-2:1044 152 ILE QG2 6.00 (# 1044:20 Single Ambig)
&rst
ixpk= 1044, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1= 950, 951, 952, 307, 308,
igr2= 833, 834, 835,
&end
#
# 152 ILE HG1- 152 ILE QG2 4.50 (# 1045:20 Unique 2.32, 3.49 A)
&rst
ixpk= 1045, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 837, 838,
igr2= 833, 834, 835,
&end
#
# 0 AMB 20-2:1046 152 ILE QG2 4.50 (# 1046:20 Single Ambig)
&rst
ixpk= 1046, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 717, 718, 719, 710, 711, 712,
igr2= 833, 834, 835,
&end
#
# 0 AMB 20-2:1047 152 ILE QG2 3.50 (# 1047:20 Single Ambig)
&rst
ixpk= 1047, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 829, 876,
igr2= 833, 834, 835,
&end
#
# 153 PRO HD+ 152 ILE QG2 6.00 (# 1048:20 Unique 2.36, 4.38 A)
&rst
ixpk= 1048, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 847, 848,
igr2= 833, 834, 835,
&end
#
# 153 PRO HD- 152 ILE QG2 6.00 (# 1049:20 Unique 2.36, 4.38 A)
&rst
ixpk= 1049, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 847, 848,
igr2= 833, 834, 835,
&end
#
# 0 AMB 20-2:1050 152 ILE QG2 4.50 (# 1050:20 Single Ambig)
&rst
ixpk= 1050, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 654, 655, 831, 310,
igr2= 833, 834, 835,
&end
#
# 0 AMB 20-2:1051 0 AMB 20-1:1051 4.50 (# 1051:20 Double Ambig)
&rst
ixpk= 1051, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 607, 977, 978, 596,
igr2= 885, 886, 887,1055,1056,1057,
&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= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 878, 879,1051,1052,
igr2= 885, 886, 887,1055,1056,1057,
&end
#
# 0 AMB 20-2:1053 0 AMB 20-1:1053 3.50 (# 1053:20 Double Ambig)
&rst
ixpk= 1053, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 654, 655,1048,1049, 329, 330,
igr2= 885, 886, 887,1055,1056,1057,
&end
#
# 152 ILE HG1- 155 MET ME 6.00 (# 1054:20 Unique 3.88, 7.20 A)
&rst
ixpk= 1054, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 837, 838,
igr2= 885, 886, 887,
&end
#
# 162 LEU MDX 165 MET ME 8.00 (# 1055:20 Unique 2.37, 5.82 A)
&rst
ixpk= 1055, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.95, r4=13.45,
igr1= 993, 994, 995, 997, 998, 999,
igr2=1055,1056,1057,
&end
#
# 0 AMB 20-2:1056 163 ILE QG2 6.00 (# 1056:20 Single Ambig)
&rst
ixpk= 1056, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 958,1098,
igr2=1009,1010,1011,
&end
#
# 164 LYS HA 163 ILE QG2 4.50 (# 1057:20 Unique 3.25, 4.36 A)
&rst
ixpk= 1057, nxpk= 20, iat=1024, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1009,1010,1011,
&end
#
# 163 ILE HA 163 ILE QG2 3.50 (# 1058:20 Unique 2.65, 3.32 A)
&rst
ixpk= 1058, nxpk= 20, iat=1005, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1009,1010,1011,
&end
#
# 0 AMB 20-2:1059 163 ILE QG2 3.50 (# 1059:20 Single Ambig)
&rst
ixpk= 1059, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1013,1014,1029,1030,1159,1160,
igr2=1009,1010,1011,
&end
#
# 169 VAL HB 163 ILE QG2 4.50 (# 1060:20 Unique 3.94, 4.92 A)
&rst
ixpk= 1060, nxpk= 20, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1009,1010,1011,
&end
#
# 163 ILE HB 163 ILE QG2 3.50 (# 1061:20 Unique 2.42, 2.66 A)
&rst
ixpk= 1061, nxpk= 20, iat=1007, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1009,1010,1011,
&end
#
# 0 AMB 20-2:1062 163 ILE QG2 6.00 (# 1062:20 Single Ambig)
&rst
ixpk= 1062, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1029,1030,1134,1135,
igr2=1009,1010,1011,
&end
#
# 163 ILE HG1+ 163 ILE QG2 4.50 (# 1063:20 Unique 2.46, 3.47 A)
&rst
ixpk= 1063, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1013,1014,
igr2=1009,1010,1011,
&end
#
# 0 AMB 20-2:1064 163 ILE QG2 4.50 (# 1064:20 Single Ambig)
&rst
ixpk= 1064, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
igr1=1117,1118,1119,1121,1122,1123, 991,
igr2=1009,1010,1011,
&end
#
# 134 ALA HA 135 ILE QG2 6.00 (# 1065:20 Unique 3.36, 4.53 A)
&rst
ixpk= 1065, nxpk= 20, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 559, 560, 561,
&end
#
# 0 AMB 20-2:1066 135 ILE QG2 4.50 (# 1066:20 Single Ambig)
&rst
ixpk= 1066, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 633, 438, 596,
igr2= 559, 560, 561,
&end
#
# 0 AMB 20-2:1067 135 ILE QG2 6.00 (# 1067:20 Single Ambig)
&rst
ixpk= 1067, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1258,1259, 696, 697,
igr2= 559, 560, 561,
&end
#
# 139 GLU HG+ 135 ILE QG2 8.00 (# 1068:20 Unique 6.95, 7.80 A)
&rst
ixpk= 1068, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 623, 624,
igr2= 559, 560, 561,
&end
#
# 0 AMB 20-2:1069 135 ILE QG2 6.00 (# 1069:20 Single Ambig)
&rst
ixpk= 1069, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 620, 621, 693, 694,
igr2= 559, 560, 561,
&end
#
# 0 AMB 20-2:1070 135 ILE QG2 6.00 (# 1070:20 Single Ambig)
&rst
ixpk= 1070, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.97, r4=10.47,
igr1= 950, 951, 952, 576, 577,1244,1245,
igr2= 559, 560, 561,
&end
#
# 0 AMB 20-2:1071 135 ILE QG2 6.00 (# 1071:20 Single Ambig)
&rst
ixpk= 1071, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 576, 577,1241,1242,
igr2= 559, 560, 561,
&end
#
# 135 ILE HG1+ 135 ILE QG2 3.50 (# 1072:20 Unique 2.51, 3.52 A)
&rst
ixpk= 1072, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 563, 564,
igr2= 559, 560, 561,
&end
#
# 135 ILE HB 135 ILE QG2 3.50 (# 1073:20 Unique 2.44, 2.67 A)
&rst
ixpk= 1073, nxpk= 20, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 559, 560, 561,
&end
#
# 0 AMB 20-2:1074 135 ILE QG2 4.50 (# 1074:20 Single Ambig)
&rst
ixpk= 1074, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
igr1= 638, 717, 718, 719,1281,1282,1283,
igr2= 559, 560, 561,
&end
#
# 0 AMB 20-2:1075 135 ILE QG2 3.50 (# 1075:20 Single Ambig)
&rst
ixpk= 1075, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 640, 641, 642, 644, 645, 646, 445, 446, 447, 449,
450, 451,
igr2= 559, 560, 561,
&end
#
# 135 ILE QD1 135 ILE QG2 3.50 (# 1076:20 Unique 2.23, 3.83 A)
&rst
ixpk= 1076, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 566, 567, 568,
igr2= 559, 560, 561,
&end
#
# 135 ILE HG1- 135 ILE QG2 3.50 (# 1077:20 Unique 2.51, 3.52 A)
&rst
ixpk= 1077, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 563, 564,
igr2= 559, 560, 561,
&end
#
# 0 AMB 20-2:1078 0 AMB 20-1:1078 4.50 (# 1078:20 Double Ambig)
&rst
ixpk= 1078, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.39, r4= 8.89,
igr1=1113,1181, 829, 691, 324, 876, 725,
igr2=1281,1282,1283, 717, 718, 719,
&end
#
# 124 ALA HA 144 ILE QD1 4.50 (# 1079:20 Unique 2.26, 3.47 A)
&rst
ixpk= 1079, nxpk= 20, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 717, 718, 719,
&end
#
# 0 AMB 20-2:1080 0 AMB 20-1:1080 3.50 (# 1080:20 Double Ambig)
&rst
ixpk= 1080, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1320,1321,1320,1321, 764, 765,
igr2=1281,1282,1283, 717, 718, 719,
&end
#
# 0 AMB 20-2:1081 0 AMB 20-1:1081 4.50 (# 1081:20 Double Ambig)
&rst
ixpk= 1081, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.39, r4= 8.89,
igr1= 950, 951, 952, 307, 308,1178,1179,
igr2= 717, 718, 719,1281,1282,1283,
&end
#
# 0 AMB 20-2:1082 0 AMB 20-1:1082 2.80 (# 1082:20 Double Ambig)
&rst
ixpk= 1082, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 375, 376, 377,1279,1175,1176,1137,1138,
igr2= 717, 718, 719,1281,1282,1283,
&end
#
# 152 ILE HG1+ 144 ILE QD1 6.00 (# 1083:20 Unique 2.29, 5.69 A)
&rst
ixpk= 1083, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 837, 838,
igr2= 717, 718, 719,
&end
#
# 144 ILE HA 144 ILE QD1 4.50 (# 1084:20 Unique 2.28, 4.53 A)
&rst
ixpk= 1084, nxpk= 20, iat= 706, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 717, 718, 719,
&end
#
# 0 AMB 20-2:1085 178 ILE QG2 6.00 (# 1085:20 Single Ambig)
&rst
ixpk= 1085, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1140,1141,1140,1141,
igr2=1281,1282,1283,
&end
#
# 0 AMB 20-2:1086 144 ILE QD1 4.50 (# 1086:20 Single Ambig)
&rst
ixpk= 1086, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1= 312, 313, 314, 316, 317, 318, 833, 834, 835,
igr2= 717, 718, 719,
&end
#
# 0 AMB 20-2:1087 144 ILE QD1 4.50 (# 1087:20 Single Ambig)
&rst
ixpk= 1087, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1= 840, 841, 842, 312, 313, 314, 316, 317, 318,
igr2= 717, 718, 719,
&end
#
# 0 AMB 20-2:1088 178 ILE QG2 3.50 (# 1088:20 Single Ambig)
&rst
ixpk= 1088, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1277, 545,1315,
igr2=1281,1282,1283,
&end
#
# 0 AMB 20-2:1089 0 AMB 20-1:1089 2.80 (# 1089:20 Double Ambig)
&rst
ixpk= 1089, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1131,1132, 708,1175,1176,
igr2=1281,1282,1283, 717, 718, 719,
&end
#
# 0 AMB 20-2:1090 178 ILE QG2 3.50 (# 1090:20 Single Ambig)
&rst
ixpk= 1090, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 547, 548, 549,1153,1154,
igr2=1281,1282,1283,
&end
#
# 172 PRO HD+ 178 ILE QG2 4.50 (# 1091:20 Unique 2.21, 3.64 A)
&rst
ixpk= 1091, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1172,1173,
igr2=1281,1282,1283,
&end
#
# 178 ILE HG1+ 178 ILE QG2 3.50 (# 1092:20 Unique 2.45, 3.53 A)
&rst
ixpk= 1092, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1285,1286,
igr2=1281,1282,1283,
&end
#
# 0 AMB 20-2:1093 178 ILE QD1 2.80 (# 1093:20 Single Ambig)
&rst
ixpk= 1093, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 535, 545,
igr2=1288,1289,1290,
&end
#
# 180 GLU HG- 178 ILE QD1 4.50 (# 1094:20 Unique 3.21, 4.84 A)
&rst
ixpk= 1094, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1320,1321,
igr2=1288,1289,1290,
&end
#
# 0 AMB 20-2:1095 178 ILE QD1 4.50 (# 1095:20 Single Ambig)
&rst
ixpk= 1095, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1175,1176,1131,1132,
igr2=1288,1289,1290,
&end
#
# 0 AMB 20-2:1096 178 ILE QD1 4.50 (# 1096:20 Single Ambig)
&rst
ixpk= 1096, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1= 537, 538, 539,1137,1138,1178,1179,1134,1135,
igr2=1288,1289,1290,
&end
#
# 0 AMB 20-2:1097 178 ILE QD1 2.80 (# 1097:20 Single Ambig)
&rst
ixpk= 1097, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 547, 548, 549,1285,1286,
igr2=1288,1289,1290,
&end
#
# 178 ILE HG1+ 178 ILE QD1 3.50 (# 1098:20 Unique 2.39, 2.66 A)
&rst
ixpk= 1098, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1285,1286,
igr2=1288,1289,1290,
&end
#
# 180 GLU HB+ 178 ILE QD1 6.00 (# 1099:20 Unique 5.61, 7.18 A)
&rst
ixpk= 1099, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1317,1318,
igr2=1288,1289,1290,
&end
#
# 0 AMB 20-2:1100 152 ILE QD1 6.00 (# 1100:20 Single Ambig)
&rst
ixpk= 1100, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 829, 725,
igr2= 840, 841, 842,
&end
#
# 141 GLN HG+ 152 ILE QD1 6.00 (# 1101:20 Unique 3.13, 5.53 A)
&rst
ixpk= 1101, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 657, 658,
igr2= 840, 841, 842,
&end
#
# 0 AMB 20-2:1102 152 ILE QD1 4.50 (# 1102:20 Single Ambig)
&rst
ixpk= 1102, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 717, 718, 719, 710, 711, 712,
igr2= 840, 841, 842,
&end
#
# 151 GLU HA 152 ILE QD1 8.00 (# 1103:20 Unique 3.71, 5.46 A)
&rst
ixpk= 1103, nxpk= 20, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr2= 840, 841, 842,
&end
#
# 0 AMB 20-2:1104 152 ILE QD1 4.50 (# 1104:20 Single Ambig)
&rst
ixpk= 1104, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 375, 376, 377, 831, 310,
igr2= 840, 841, 842,
&end
#
# 141 GLN HA 152 ILE QD1 8.00 (# 1105:20 Unique 2.60, 4.32 A)
&rst
ixpk= 1105, nxpk= 20, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr2= 840, 841, 842,
&end
#
# 152 ILE HG1- 152 ILE QD1 8.00 (# 1106:20 Unique 2.36, 2.66 A)
&rst
ixpk= 1106, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 837, 838,
igr2= 840, 841, 842,
&end
#
# 160 GLN HA 163 ILE QD1 4.50 (# 1107:20 Unique 2.20, 3.39 A)
&rst
ixpk= 1107, nxpk= 20, iat= 958, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1016,1017,1018,
&end
#
# 171 LYS HE+ 163 ILE QD1 8.00 (# 1108:20 Unique 3.68, 5.61 A)
&rst
ixpk= 1108, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=1162,1163,
igr2=1016,1017,1018,
&end
#
# 163 ILE HA 163 ILE QD1 4.50 (# 1109:20 Unique 4.52, 4.63 A)
&rst
ixpk= 1109, nxpk= 20, iat=1005, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1016,1017,1018,
&end
#
# 169 VAL HB 163 ILE QD1 4.50 (# 1110:20 Unique 4.15, 4.99 A)
&rst
ixpk= 1110, nxpk= 20, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1016,1017,1018,
&end
#
# 171 LYS HB+ 163 ILE QD1 4.50 (# 1111:20 Unique 2.32, 3.72 A)
&rst
ixpk= 1111, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1153,1154,
igr2=1016,1017,1018,
&end
#
# 163 ILE HB 163 ILE QD1 4.50 (# 1112:20 Unique 2.43, 3.07 A)
&rst
ixpk= 1112, nxpk= 20, iat=1007, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1016,1017,1018,
&end
#
# 0 AMB 20-2:1113 163 ILE QD1 3.50 (# 1113:20 Single Ambig)
&rst
ixpk= 1113, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1013,1014,1159,1160,
igr2=1016,1017,1018,
&end
#
# 0 AMB 20-2:1114 163 ILE QD1 4.50 (# 1114:20 Single Ambig)
&rst
ixpk= 1114, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1153,1154,1013,1014,
igr2=1016,1017,1018,
&end
#
# 171 LYS HG+ 163 ILE QD1 6.00 (# 1115:20 Unique 2.38, 5.23 A)
&rst
ixpk= 1115, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1156,1157,
igr2=1016,1017,1018,
&end
#
# 169 VAL MGX 163 ILE QD1 3.50 (# 1116:20 Unique 2.72, 5.98 A)
&rst
ixpk= 1116, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1117,1118,1119,1121,1122,1123,
igr2=1016,1017,1018,
&end
#
# 0 AMB 20-2:1117 135 ILE QD1 6.00 (# 1117:20 Single Ambig)
&rst
ixpk= 1117, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 618, 426,
igr2= 566, 567, 568,
&end
#
# 140 LEU HA 135 ILE QD1 4.50 (# 1118:20 Unique 2.50, 3.32 A)
&rst
ixpk= 1118, nxpk= 20, iat= 633, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 566, 567, 568,
&end
#
# 131 HIS HB- 135 ILE QD1 6.00 (# 1119:20 Unique 3.33, 5.07 A)
&rst
ixpk= 1119, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 505, 506,
igr2= 566, 567, 568,
&end
#
# 139 GLU HG+ 135 ILE QD1 4.50 (# 1120:20 Unique 4.46, 5.93 A)
&rst
ixpk= 1120, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 623, 624,
igr2= 566, 567, 568,
&end
#
# 0 AMB 20-2:1121 135 ILE QD1 3.50 (# 1121:20 Single Ambig)
&rst
ixpk= 1121, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 620, 621, 693, 694,
igr2= 566, 567, 568,
&end
#
# 0 AMB 20-2:1122 135 ILE QD1 3.50 (# 1122:20 Single Ambig)
&rst
ixpk= 1122, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 563, 564, 635, 636,
igr2= 566, 567, 568,
&end
#
# 135 ILE HB 135 ILE QD1 3.50 (# 1123:20 Unique 2.44, 3.08 A)
&rst
ixpk= 1123, nxpk= 20, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 566, 567, 568,
&end
#
# 135 ILE HG1- 135 ILE QD1 3.50 (# 1124:20 Unique 2.40, 2.66 A)
&rst
ixpk= 1124, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 563, 564,
igr2= 566, 567, 568,
&end
#
# 135 ILE QG2 135 ILE QD1 3.50 (# 1125:20 Unique 2.23, 3.83 A)
&rst
ixpk= 1125, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 559, 560, 561,
igr2= 566, 567, 568,
&end
#
# 136 LYS HB- 135 ILE QD1 6.00 (# 1126:20 Unique 5.75, 6.96 A)
&rst
ixpk= 1126, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 576, 577,
igr2= 566, 567, 568,
&end
#
# 183 ILE HA 183 ILE QD1 4.50 (# 1127:20 Unique 2.15, 3.07 A)
&rst
ixpk= 1127, nxpk= 20, iat=1352, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1363,1364,1365,
&end
#
# 185 SER HB+ 183 ILE QD1 8.00 (# 1128:20 Unique 4.50, 7.54 A)
&rst
ixpk= 1128, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=1388,1389,
igr2=1363,1364,1365,
&end
#
# 166 TYR HB- 183 ILE QD1 4.50 (# 1129:20 Unique 2.17, 3.52 A)
&rst
ixpk= 1129, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1065,1066,
igr2=1363,1364,1365,
&end
#
# 168 GLU HG+ 183 ILE QD1 6.00 (# 1130:20 Unique 2.54, 4.75 A)
&rst
ixpk= 1130, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1103,1104,
igr2=1363,1364,1365,
&end
#
# 168 GLU HB- 183 ILE QD1 4.50 (# 1131:20 Unique 2.33, 3.98 A)
&rst
ixpk= 1131, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1100,1101,
igr2=1363,1364,1365,
&end
#
# 183 ILE HB 183 ILE QD1 3.50 (# 1132:20 Unique 2.35, 3.12 A)
&rst
ixpk= 1132, nxpk= 20, iat=1354, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1363,1364,1365,
&end
#
# 0 AMB 20-2:1133 183 ILE QD1 6.00 (# 1133:20 Single Ambig)
&rst
ixpk= 1133, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 462, 463, 465, 466, 465, 466,
igr2=1363,1364,1365,
&end
#
# 0 AMB 20-2:1134 183 ILE QD1 3.50 (# 1134:20 Single Ambig)
&rst
ixpk= 1134, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1360,1361, 462, 463,
igr2=1363,1364,1365,
&end
#
# 183 ILE HG1+ 183 ILE QD1 3.50 (# 1135:20 Unique 2.37, 2.66 A)
&rst
ixpk= 1135, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1360,1361,
igr2=1363,1364,1365,
&end
#
# 0 AMB 20-2:1136 183 ILE QD1 3.50 (# 1136:20 Single Ambig)
&rst
ixpk= 1136, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=1117,1118,1119,1121,1122,1123,1356,1357,1358,
igr2=1363,1364,1365,
&end
#
# 125 ILE QD1 183 ILE QD1 3.50 (# 1137:20 Unique 2.48, 5.10 A)
&rst
ixpk= 1137, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 394, 395, 396,
igr2=1363,1364,1365,
&end
#
# 168 GLU HB+ 183 ILE QD1 4.50 (# 1138:20 Unique 2.33, 3.98 A)
&rst
ixpk= 1138, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1100,1101,
igr2=1363,1364,1365,
&end
#
# 179 LEU HB+ 183 ILE QD1 6.00 (# 1139:20 Unique 4.42, 6.31 A)
&rst
ixpk= 1139, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1298,1299,
igr2=1363,1364,1365,
&end
#
# 143 GLU HG+ 135 ILE QD1 6.00 (# 1140:20 Unique 2.72, 4.23 A)
&rst
ixpk= 1140, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 696, 697,
igr2= 566, 567, 568,
&end
#
# 122 GLU HA 125 ILE QD1 6.00 (# 1141:20 Unique 4.05, 5.75 A)
&rst
ixpk= 1141, nxpk= 20, iat= 348, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 394, 395, 396,
&end
#
# 0 AMB 20-2:1142 125 ILE QD1 4.50 (# 1142:20 Single Ambig)
&rst
ixpk= 1142, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
igr1= 375, 376, 377, 462, 463,1048,1049,
igr2= 394, 395, 396,
&end
#
# 183 ILE HG1- 125 ILE QD1 6.00 (# 1143:20 Unique 2.53, 4.42 A)
&rst
ixpk= 1143, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1360,1361,
igr2= 394, 395, 396,
&end
#
# 126 LYS HA 125 ILE QD1 6.00 (# 1144:20 Unique 6.35, 7.49 A)
&rst
ixpk= 1144, nxpk= 20, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 394, 395, 396,
&end
#
# 125 ILE HA 125 ILE QD1 4.50 (# 1145:20 Unique 2.15, 3.21 A)
&rst
ixpk= 1145, nxpk= 20, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 394, 395, 396,
&end
#
# 166 TYR HB- 125 ILE QD1 6.00 (# 1146:20 Unique 2.83, 5.90 A)
&rst
ixpk= 1146, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1065,1066,
igr2= 394, 395, 396,
&end
#
# 169 VAL HB 125 ILE QD1 8.00 (# 1147:20 Unique 5.22, 7.14 A)
&rst
ixpk= 1147, nxpk= 20, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr2= 394, 395, 396,
&end
#
# 0 AMB 20-2:1148 125 ILE QD1 3.50 (# 1148:20 Single Ambig)
&rst
ixpk= 1148, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 385, 988, 989,
igr2= 394, 395, 396,
&end
#
# 125 ILE HG1+ 125 ILE QD1 3.50 (# 1149:20 Unique 2.39, 2.65 A)
&rst
ixpk= 1149, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 391, 392,
igr2= 394, 395, 396,
&end
#
# 0 AMB 20-2:1150 125 ILE QD1 2.80 (# 1150:20 Single Ambig)
&rst
ixpk= 1150, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1363,1364,1365, 445, 446, 447, 449, 450, 451,1303,
1304,1305,1307,1308,1309,
igr2= 394, 395, 396,
&end
#
# 0 AMB 20-2:1151 125 ILE QD1 6.00 (# 1151:20 Single Ambig)
&rst
ixpk= 1151, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 324,1352,
igr2= 394, 395, 396,
&end
#
# 166 TYR HA 167 PRO HD+ 4.50 (# 1152:20 Unique 2.23, 2.44 A)
&rst
ixpk= 1152, nxpk= 20, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1083,1084,
&end
#
# 166 TYR HA 167 PRO HD- 4.50 (# 1153:20 Unique 2.23, 2.44 A)
&rst
ixpk= 1153, nxpk= 20, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1083,1084,
&end
#
# 215 ADE H3' 0 AMB 20-1:1154 8.00 (# 1154:20 Single Ambig)
&rst
ixpk= 1154, nxpk= 20, iat=2229, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr2= 114, 115, 114, 115,
&end
#
# 215 ADE H3' 0 AMB 20-1:1155 8.00 (# 1155:20 Single Ambig)
&rst
ixpk= 1155, nxpk= 20, iat=2229, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr2= 114, 115, 114, 115,
&end
#
# 132 ASN HA 132 ASN HB+ 3.50 (# 1156:20 Unique 2.34, 2.74 A)
&rst
ixpk= 1156, nxpk= 20, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 523, 524,
&end
#
# 132 ASN HA 132 ASN HB- 3.50 (# 1157:20 Unique 2.34, 2.74 A)
&rst
ixpk= 1157, nxpk= 20, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 523, 524,
&end
#
# 176 GLN HA 176 GLN HG+ 6.00 (# 1158:20 Unique 2.36, 2.83 A)
&rst
ixpk= 1158, nxpk= 20, iat=1239, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1244,1245,
&end
#
# 176 GLN HA 176 GLN HG- 6.00 (# 1159:20 Unique 2.36, 2.83 A)
&rst
ixpk= 1159, nxpk= 20, iat=1239, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1244,1245,
&end
#
# 179 LEU HA 180 GLU HB- 6.00 (# 1160:20 Unique 4.41, 5.10 A)
&rst
ixpk= 1160, nxpk= 20, iat=1296, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1317,1318,
&end
#
# 166 TYR HA 167 PRO HB+ 6.00 (# 1161:20 Unique 4.83, 5.32 A)
&rst
ixpk= 1161, nxpk= 20, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1089,1090,
&end
#
# 0 AMB 20-2:1162 0 AMB 20-1:1162 6.00 (# 1162:20 Double Ambig)
&rst
ixpk= 1162, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1296, 521,
igr2=1317,1318,1317,1318,
&end
#
# 217 ADE H3' 112 ARG HB- 8.00 (# 1163:20 Unique 6.32, 7.44 A)
&rst
ixpk= 1163, nxpk= 20, iat=2293, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 187, 188,
&end
#
# 179 LEU HA 179 LEU HG 6.00 (# 1164:20 Unique 2.48, 2.98 A)
&rst
ixpk= 1164, nxpk= 20, iat=1296,1301, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 166 TYR HA 167 PRO HG+ 6.00 (# 1165:20 Unique 4.43, 4.60 A)
&rst
ixpk= 1165, nxpk= 20, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1086,1087,
&end
#
# 166 TYR HA 167 PRO HG- 6.00 (# 1166:20 Unique 4.43, 4.60 A)
&rst
ixpk= 1166, nxpk= 20, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1086,1087,
&end
#
# 179 LEU HA 179 LEU MDX 4.50 (# 1167:20 Unique 2.31, 4.18 A)
&rst
ixpk= 1167, nxpk= 20, iat=1296, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1303,1304,1305,1307,1308,1309,
&end
#
# 179 LEU HA 179 LEU MDY 4.50 (# 1168:20 Unique 2.31, 4.18 A)
&rst
ixpk= 1168, nxpk= 20, iat=1296, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1303,1304,1305,1307,1308,1309,
&end
#
# 179 LEU HA 169 VAL MGY 6.00 (# 1169:20 Unique 3.00, 4.50 A)
&rst
ixpk= 1169, nxpk= 20, iat=1296, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1117,1118,1119,1121,1122,1123,
&end
#
# 179 LEU HA 169 VAL MGX 6.00 (# 1170:20 Unique 3.00, 4.50 A)
&rst
ixpk= 1170, nxpk= 20, iat=1296, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1117,1118,1119,1121,1122,1123,
&end
#
# 132 ASN HA 133 ALA MB 6.00 (# 1171:20 Unique 4.95, 5.94 A)
&rst
ixpk= 1171, nxpk= 20, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 537, 538, 539,
&end
#
# 207 ADE H3' 117 ALA MB 8.00 (# 1172:20 Unique 6.43, 8.07 A)
&rst
ixpk= 1172, nxpk= 20, iat=1975, -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr2= 265, 266, 267,
&end
#
# 176 GLN HA 134 ALA MB 6.00 (# 1173:20 Unique 4.75, 6.23 A)
&rst
ixpk= 1173, nxpk= 20, iat=1239, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 547, 548, 549,
&end
#
# 174 ARG HA 174 ARG HD+ 8.00 (# 1174:20 Unique 2.52, 4.58 A)
&rst
ixpk= 1174, nxpk= 20, iat=1208, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1216,1217,
&end
#
# 127 THR HA 0 AMB 20-1:1175 6.00 (# 1175:20 Single Ambig)
&rst
ixpk= 1175, nxpk= 20, iat= 424, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 487, 488, 487, 488,
&end
#
# 0 AMB 20-2:1176 0 AMB 20-1:1176 6.00 (# 1176:20 Double Ambig)
&rst
ixpk= 1176, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=2397,2017,1986,
igr2=1216,1217, 193, 194,
&end
#
# 0 AMB 20-2:1177 0 AMB 20-1:1177 6.00 (# 1177:20 Double Ambig)
&rst
ixpk= 1177, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1208, 208, 209,
igr2=1216,1217, 193, 194,
&end
#
# 0 AMB 20-2:1178 0 AMB 20-1:1178 4.50 (# 1178:20 Double Ambig)
&rst
ixpk= 1178, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.88, r4=10.38,
igr1=2017, 154, 155, 154, 155,2018,2239,1986,
igr2= 193, 194, 138, 139, 138, 139, 193, 194, 90, 91,
90, 91, 193, 194,
&end
#
# 0 AMB 20-2:1179 0 AMB 20-1:1179 2.80 (# 1179:20 Double Ambig)
&rst
ixpk= 1179, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1= 82, 58, 106, 130, 175,2178, 44,
igr2= 90, 91, 90, 91, 66, 67, 66, 67, 114, 115,
114, 115, 138, 139, 138, 139, 193, 194, 90, 91,
66, 67, 138, 139, 114, 115, 66, 67,
&end
#
# 173 TYR HA 173 TYR HB- 6.00 (# 1180:20 Unique 2.33, 2.75 A)
&rst
ixpk= 1180, nxpk= 20, iat=1187, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1189,1190,
&end
#
# 174 ARG HA 171 LYS HE- 6.00 (# 1181:20 Unique 3.65, 5.89 A)
&rst
ixpk= 1181, nxpk= 20, iat=1208, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1162,1163,
&end
#
# 0 AMB 20-2:1182 0 AMB 20-1:1182 6.00 (# 1182:20 Double Ambig)
&rst
ixpk= 1182, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=1889, 829, 263,
igr2= 585, 586, 585, 586, 252, 253,
&end
#
# 0 AMB 20-2:1183 0 AMB 20-1:1183 6.00 (# 1183:20 Double Ambig)
&rst
ixpk= 1183, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.70, r4=13.20,
igr1=1232,1233,1232,1233, 241, 607, 596, 223, 224,
igr2= 585, 586, 585, 586, 252, 253, 585, 586, 585, 586,
&end
#
# 0 AMB 20-2:1184 0 AMB 20-1:1184 6.00 (# 1184:20 Double Ambig)
&rst
ixpk= 1184, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.33, r4=13.83,
igr1=1232,1233, 241, 607, 223, 224, 223, 224, 223, 224,
igr2= 585, 586, 252, 253, 252, 253, 294, 295, 252, 253,
252, 253,
&end
#
# 0 AMB 20-2:1185 0 AMB 20-1:1185 4.50 (# 1185:20 Double Ambig)
&rst
ixpk= 1185, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 691,2336,2398, 829, 669,
igr2= 751, 752,1035,1036,1035,1036,1189,1190, 252, 253,
680, 681, 680, 681, 751, 752,
&end
#
# 0 AMB 20-2:1186 0 AMB 20-1:1186 6.00 (# 1186:20 Double Ambig)
&rst
ixpk= 1186, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 847, 848, 779, 780, 779, 780,
igr2= 252, 253, 294, 295, 294, 295,
&end
#
# 123 ALA HA 0 AMB 20-1:1187 6.00 (# 1187:20 Single Ambig)
&rst
ixpk= 1187, nxpk= 20, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 413, 414, 413, 414,
&end
#
# 126 LYS HA 0 AMB 20-1:1188 4.50 (# 1188:20 Single Ambig)
&rst
ixpk= 1188, nxpk= 20, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 468, 469, 413, 414, 413, 414,
&end
#
# 182 GLU HA 129 LYS HE+ 8.00 (# 1189:20 Unique 2.48, 5.43 A)
&rst
ixpk= 1189, nxpk= 20, iat=1337, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 468, 469,
&end
#
# 0 AMB 20-2:1190 0 AMB 20-1:1190 4.50 (# 1190:20 Double Ambig)
&rst
ixpk= 1190, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 457,1352,
igr2= 468, 469, 468, 469,
&end
#
# 126 LYS HA 129 LYS HE+ 6.00 (# 1191:20 Unique 2.64, 3.92 A)
&rst
ixpk= 1191, nxpk= 20, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 468, 469,
&end
#
# 0 AMB 20-2:1192 0 AMB 20-1:1192 6.00 (# 1192:20 Double Ambig)
&rst
ixpk= 1192, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 725, 669,
igr2= 730, 731, 730, 731,
&end
#
# 143 GLU HA 143 GLU HG+ 3.50 (# 1193:20 Unique 2.28, 3.21 A)
&rst
ixpk= 1193, nxpk= 20, iat= 691, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 696, 697,
&end
#
# 0 AMB 20-2:1194 0 AMB 20-1:1194 6.00 (# 1194:20 Double Ambig)
&rst
ixpk= 1194, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=2338, 975,
igr2= 963, 964, 963, 964,
&end
#
# 0 AMB 20-2:1195 0 AMB 20-1:1195 3.50 (# 1195:20 Double Ambig)
&rst
ixpk= 1195, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 958, 907,
igr2= 963, 964, 963, 964,
&end
#
# 189 HIS HA 189 HIS HB+ 3.50 (# 1196:20 Unique 2.35, 2.70 A)
&rst
ixpk= 1196, nxpk= 20, iat=1449, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1451,1452,
&end
#
# 189 HIS HA 189 HIS HB- 4.50 (# 1197:20 Unique 2.35, 2.70 A)
&rst
ixpk= 1197, nxpk= 20, iat=1449, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1451,1452,
&end
#
# 185 SER HB+ 188 HIS HB+ 6.00 (# 1198:20 Unique 3.03, 6.73 A)
&rst
ixpk= 1198, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1388,1389,
igr2=1433,1434,
&end
#
# 187 GLU HA 188 HIS HB+ 6.00 (# 1199:20 Unique 3.97, 5.81 A)
&rst
ixpk= 1199, nxpk= 20, iat=1416, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1433,1434,
&end
#
# 187 GLU HA 188 HIS HB- 6.00 (# 1200:20 Unique 3.97, 5.81 A)
&rst
ixpk= 1200, nxpk= 20, iat=1416, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1433,1434,
&end
#
# 185 SER HB+ 188 HIS HB- 6.00 (# 1201:20 Unique 3.03, 6.73 A)
&rst
ixpk= 1201, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1388,1389,
igr2=1433,1434,
&end
#
# 0 AMB 20-2:1202 0 AMB 20-1:1202 6.00 (# 1202:20 Double Ambig)
&rst
ixpk= 1202, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=2073,1978,
igr2= 138, 139, 138, 139, 193, 194,
&end
#
# 103 THR HA 103 THR HB 4.50 (# 1203:20 Unique 2.19, 2.57 A)
&rst
ixpk= 1203, nxpk= 20, iat= 30, 32, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:1204 0 AMB 20-1:1204 2.80 (# 1204:20 Double Ambig)
&rst
ixpk= 1204, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 44, 161,
igr2= 46, 163,
&end
#
# 0 AMB 20-2:1205 127 THR HB 4.50 (# 1205:20 Single Ambig)
&rst
ixpk= 1205, nxpk= 20, iat= -1, 426, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 373, 424,
&end
#
# 127 THR HB 127 THR HA 4.50 (# 1206:20 Unique 2.99, 3.02 A)
&rst
ixpk= 1206, nxpk= 20, iat= 426, 424, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:1207 0 AMB 20-1:1207 8.00 (# 1207:20 Double Ambig)
&rst
ixpk= 1207, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.25, r4=15.75,
igr1= 762, 788, 789, 788, 789, 740,
igr2= 779, 780, 779, 780, 779, 780, 779, 780,
&end
#
# 148 SER HA 0 AMB 20-1:1208 6.00 (# 1208:20 Single Ambig)
&rst
ixpk= 1208, nxpk= 20, iat= 777, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 779, 780, 779, 780,
&end
#
# 0 AMB 20-2:1209 153 PRO HA 6.00 (# 1209:20 Single Ambig)
&rst
ixpk= 1209, nxpk= 20, iat= -1, 856, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 829, 263,1921, 876,
&end
#
# 0 AMB 20-2:1210 0 AMB 20-1:1210 4.50 (# 1210:20 Double Ambig)
&rst
ixpk= 1210, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
igr1= 241, 223, 224, 223, 224, 223, 224,
igr2= 232, 233, 217,
&end
#
# 113 PRO HD+ 113 PRO HA 4.50 (# 1211:20 Unique 3.31, 3.73 A)
&rst
ixpk= 1211, nxpk= 20, iat= -1, 217, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 208, 209,
&end
#
# 113 PRO HD- 113 PRO HA 6.00 (# 1212:20 Unique 3.31, 3.73 A)
&rst
ixpk= 1212, nxpk= 20, iat= -1, 217, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 208, 209,
&end
#
# 185 SER HA 185 SER HB- 3.50 (# 1213:20 Unique 2.32, 2.65 A)
&rst
ixpk= 1213, nxpk= 20, iat=1386, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1388,1389,
&end
#
# 0 AMB 20-2:1214 185 SER HB- 6.00 (# 1214:20 Single Ambig)
&rst
ixpk= 1214, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1397,1371,
igr2=1388,1389,
&end
#
# 185 SER HA 185 SER HB+ 3.50 (# 1215:20 Unique 2.32, 2.65 A)
&rst
ixpk= 1215, nxpk= 20, iat=1386, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1388,1389,
&end
#
# 0 AMB 20-2:1216 0 AMB 20-1:1216 6.00 (# 1216:20 Double Ambig)
&rst
ixpk= 1216, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1397,1371,
igr2=1388,1389,1388,1389,
&end
#
# 124 ALA HA 125 ILE HA 6.00 (# 1217:20 Unique 4.66, 4.78 A)
&rst
ixpk= 1217, nxpk= 20, iat= 373, 383, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 126 LYS HA 125 ILE HA 6.00 (# 1218:20 Unique 4.63, 4.77 A)
&rst
ixpk= 1218, nxpk= 20, iat= 402, 383, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 161 SER HA 161 SER HB+ 4.50 (# 1219:20 Unique 2.41, 2.75 A)
&rst
ixpk= 1219, nxpk= 20, iat= 975, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 977, 978,
&end
#
# 161 SER HA 0 AMB 20-1:1220 3.50 (# 1220:20 Single Ambig)
&rst
ixpk= 1220, nxpk= 20, iat= 975, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 977, 978, 977, 978,
&end
#
# 0 AMB 20-2:1221 103 THR HA 6.00 (# 1221:20 Single Ambig)
&rst
ixpk= 1221, nxpk= 20, iat= -1, 30, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 44, 58,
&end
#
# 103 THR HB 103 THR HA 3.50 (# 1222:20 Unique 2.19, 2.57 A)
&rst
ixpk= 1222, nxpk= 20, iat= 32, 30, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &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= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=2242, 46, 163,
igr2= 161, 44,
&end
#
# 0 AMB 20-2:1224 110 THR HA 6.00 (# 1224:20 Single Ambig)
&rst
ixpk= 1224, nxpk= 20, iat= -1, 161, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=2239,2272, 154, 155,
&end
#
# 0 AMB 20-2:1225 0 AMB 20-1:1225 3.50 (# 1225:20 Double Ambig)
&rst
ixpk= 1225, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 607, 977, 978, 977, 978,
igr2= 609, 610, 609, 610, 975,
&end
#
# 182 GLU HA 183 ILE HA 6.00 (# 1226:20 Unique 4.22, 4.42 A)
&rst
ixpk= 1226, nxpk= 20, iat=1337,1352, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:1227 0 AMB 20-1:1227 6.00 (# 1227:20 Double Ambig)
&rst
ixpk= 1227, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1371, 941,
igr2=1352, 324,
&end
#
# 0 AMB 20-2:1228 116 LYS HA 6.00 (# 1228:20 Single Ambig)
&rst
ixpk= 1228, nxpk= 20, iat= -1, 241, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 230,1956,
&end
#
# 0 AMB 20-2:1229 116 LYS HA 6.00 (# 1229:20 Single Ambig)
&rst
ixpk= 1229, nxpk= 20, iat= -1, 241, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 263, 283,
&end
#
# 0 AMB 20-2:1230 126 LYS HA 6.00 (# 1230:20 Single Ambig)
&rst
ixpk= 1230, nxpk= 20, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 457, 363, 426,
&end
#
# 144 ILE HA 145 GLU HA 6.00 (# 1231:20 Unique 4.77, 4.80 A)
&rst
ixpk= 1231, nxpk= 20, iat= 706, 725, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:1232 148 SER HA 6.00 (# 1232:20 Single Ambig)
&rst
ixpk= 1232, nxpk= 20, iat= -1, 777, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 788, 789, 762, 725, 283, 740,
&end
#
# 0 AMB 20-2:1233 148 SER HA 4.50 (# 1233:20 Single Ambig)
&rst
ixpk= 1233, nxpk= 20, iat= -1, 777, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 779, 780, 779, 780,
&end
#
# 0 AMB 20-2:1234 0 AMB 20-1:1234 6.00 (# 1234:20 Double Ambig)
&rst
ixpk= 1234, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 652, 383,
igr2= 669, 829, 457,
&end
#
# 0 AMB 20-2:1235 147 GLU HA 6.00 (# 1235:20 Single Ambig)
&rst
ixpk= 1235, nxpk= 20, iat= -1, 762, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 779, 780, 779, 780,
&end
#
# 185 SER HB- 185 SER HA 3.50 (# 1236:20 Unique 2.32, 2.65 A)
&rst
ixpk= 1236, nxpk= 20, iat= -1,1386, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1388,1389,
&end
#
# 185 SER HB+ 185 SER HA 3.50 (# 1237:20 Unique 2.32, 2.65 A)
&rst
ixpk= 1237, nxpk= 20, iat= -1,1386, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1388,1389,
&end
#
# 0 AMB 20-2:1238 0 AMB 20-1:1238 6.00 (# 1238:20 Double Ambig)
&rst
ixpk= 1238, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1388,1389, 402,
igr2=1371, 479,
&end
#
# 185 SER HB- 184 GLU HA 6.00 (# 1239:20 Unique 5.24, 5.88 A)
&rst
ixpk= 1239, nxpk= 20, iat= -1,1371, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1388,1389,
&end
#
# 0 AMB 20-2:1240 187 GLU HA 6.00 (# 1240:20 Single Ambig)
&rst
ixpk= 1240, nxpk= 20, iat= -1,1416, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1397,1371,
&end
#
# 0 AMB 20-2:1241 0 AMB 20-1:1241 6.00 (# 1241:20 Double Ambig)
&rst
ixpk= 1241, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=2081,2239,2050,
igr2= 130, 82, 106,
&end
#
# 181 GLY HA+ 182 GLU HA 6.00 (# 1242:20 Unique 4.36, 4.53 A)
&rst
ixpk= 1242, nxpk= 20, iat= -1,1337, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1330,1331,
&end
#
# 187 GLU HA 186 LEU HA 6.00 (# 1243:20 Unique 4.34, 4.74 A)
&rst
ixpk= 1243, nxpk= 20, iat=1416,1397, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:1244 0 AMB 20-1:1244 8.00 (# 1244:20 Double Ambig)
&rst
ixpk= 1244, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 986, 788, 789,
igr2= 941, 814,
&end
#
# 0 AMB 20-2:1245 111 ALA HA 6.00 (# 1245:20 Single Ambig)
&rst
ixpk= 1245, nxpk= 20, iat= -1, 175, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2017,2272,
&end
#
# 152 ILE HA 153 PRO HD- 4.50 (# 1246:20 Unique 1.96, 2.45 A)
&rst
ixpk= 1246, nxpk= 20, iat= 829, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 847, 848,
&end
#
# 0 AMB 20-2:1247 113 PRO HD- 4.50 (# 1247:20 Single Ambig)
&rst
ixpk= 1247, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2274, 217,
igr2= 208, 209,
&end
#
# 0 AMB 20-2:1248 0 AMB 20-1:1248 6.00 (# 1248:20 Double Ambig)
&rst
ixpk= 1248, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=2274, 217,
igr2= 208, 209, 208, 209,
&end
#
# 0 AMB 20-2:1249 0 AMB 20-1:1249 6.00 (# 1249:20 Double Ambig)
&rst
ixpk= 1249, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=2272,1986,
igr2= 208, 209, 208, 209,
&end
#
# 0 AMB 20-2:1250 0 AMB 20-1:1250 4.50 (# 1250:20 Double Ambig)
&rst
ixpk= 1250, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
igr1=2052, 161, 130, 106,
igr2= 154, 155, 154, 155, 154, 155, 154, 155,
&end
#
# 0 AMB 20-2:1251 0 AMB 20-1:1251 3.50 (# 1251:20 Double Ambig)
&rst
ixpk= 1251, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=2052, 161, 217, 232, 233, 130,
igr2= 154, 155, 223, 224, 223, 224, 223, 224,
&end
#
# 180 GLU HA 181 GLY HA- 6.00 (# 1252:20 Unique 4.35, 4.44 A)
&rst
ixpk= 1252, nxpk= 20, iat=1315, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1330,1331,
&end
#
# 180 GLU HA 181 GLY HA+ 4.50 (# 1253:20 Unique 4.35, 4.44 A)
&rst
ixpk= 1253, nxpk= 20, iat=1315, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1330,1331,
&end
#
# 110 THR HN 110 THR HB 4.50 (# 1254:20 Unique 3.38, 3.50 A)
&rst
ixpk= 1254, nxpk= 20, iat= 159, 163, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 104 THR HN 0 AMB 20-1:1255 3.50 (# 1255:20 Single Ambig)
&rst
ixpk= 1255, nxpk= 20, iat= 42, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 32, 46,
&end
#
# 0 AMB 20-2:1256 104 THR HB 4.50 (# 1256:20 Single Ambig)
&rst
ixpk= 1256, nxpk= 20, iat= -1, 46, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 56, 80,
&end
#
# 127 THR HN 127 THR HB 6.00 (# 1257:20 Unique 2.50, 2.75 A)
&rst
ixpk= 1257, nxpk= 20, iat= 422, 426, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 157 THR HN 157 THR HB 8.00 (# 1258:20 Unique 3.70, 3.72 A)
&rst
ixpk= 1258, nxpk= 20, iat= 905, 909, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 127 THR HN 127 THR HA 6.00 (# 1259:20 Unique 2.79, 2.86 A)
&rst
ixpk= 1259, nxpk= 20, iat= 422, 424, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:1260 127 THR HA 6.00 (# 1260:20 Single Ambig)
&rst
ixpk= 1260, nxpk= 20, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 477, 400,
&end
#
# 157 THR HN 157 THR HA 6.00 (# 1261:20 Unique 2.87, 2.89 A)
&rst
ixpk= 1261, nxpk= 20, iat= 905, 907, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 149 GLY HN 0 AMB 20-1:1262 8.00 (# 1262:20 Single Ambig)
&rst
ixpk= 1262, nxpk= 20, iat= 786, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr2= 779, 780, 779, 780,
&end
#
# 164 LYS HN 163 ILE HA 8.00 (# 1263:20 Unique 3.61, 3.63 A)
&rst
ixpk= 1263, nxpk= 20, iat=1022,1005, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 114 GLY HN 113 PRO HA 3.50 (# 1264:20 Unique 2.17, 2.28 A)
&rst
ixpk= 1264, nxpk= 20, iat= 221, 217, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 171 LYS HN 172 PRO HA 6.00 (# 1265:20 Unique 4.66, 4.86 A)
&rst
ixpk= 1265, nxpk= 20, iat=1149,1181, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 173 TYR HN 172 PRO HA 4.50 (# 1266:20 Unique 3.60, 3.64 A)
&rst
ixpk= 1266, nxpk= 20, iat=1185,1181, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 169 VAL HN 169 VAL HA 6.00 (# 1267:20 Unique 2.93, 2.95 A)
&rst
ixpk= 1267, nxpk= 20, iat=1111,1113, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 170 LYS HN 169 VAL HA 4.50 (# 1268:20 Unique 2.14, 2.18 A)
&rst
ixpk= 1268, nxpk= 20, iat=1127,1113, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 185 SER HN 185 SER HB- 4.50 (# 1269:20 Unique 2.28, 2.83 A)
&rst
ixpk= 1269, nxpk= 20, iat=1384, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1388,1389,
&end
#
# 0 AMB 20-2:1270 185 SER HB- 4.50 (# 1270:20 Single Ambig)
&rst
ixpk= 1270, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1395,1429,1414,
igr2=1388,1389,
&end
#
# 185 SER HN 185 SER HB+ 4.50 (# 1271:20 Unique 2.28, 2.83 A)
&rst
ixpk= 1271, nxpk= 20, iat=1384, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1388,1389,
&end
#
# 0 AMB 20-2:1272 0 AMB 20-1:1272 6.00 (# 1272:20 Double Ambig)
&rst
ixpk= 1272, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1395,1429,
igr2=1388,1389,1388,1389,
&end
#
# 0 AMB 20-2:1273 125 ILE HA 6.00 (# 1273:20 Single Ambig)
&rst
ixpk= 1273, nxpk= 20, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 381, 455,
&end
#
# 161 SER HN 161 SER HB+ 3.50 (# 1274:20 Unique 2.45, 2.59 A)
&rst
ixpk= 1274, nxpk= 20, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 977, 978,
&end
#
# 104 THR HN 103 THR HA 4.50 (# 1275:20 Unique 2.12, 2.72 A)
&rst
ixpk= 1275, nxpk= 20, iat= 42, 30, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 105 ARG HN 104 THR HA 3.50 (# 1276:20 Unique 2.08, 2.72 A)
&rst
ixpk= 1276, nxpk= 20, iat= 56, 44, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 111 ALA HN 110 THR HA 3.50 (# 1277:20 Unique 2.32, 2.50 A)
&rst
ixpk= 1277, nxpk= 20, iat= 173, 161, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 110 THR HN 110 THR HA 4.50 (# 1278:20 Unique 2.69, 2.84 A)
&rst
ixpk= 1278, nxpk= 20, iat= 159, 161, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 158 PHE HN 158 PHE HA 6.00 (# 1279:20 Unique 2.81, 2.83 A)
&rst
ixpk= 1279, nxpk= 20, iat= 919, 921, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 158 PHE HD 158 PHE HA 6.00 (# 1280:20 Unique 2.51, 3.62 A)
&rst
ixpk= 1280, nxpk= 20, iat= -1, 921, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 927, 935,
&end
#
# 0 AMB 20-2:1281 0 AMB 20-1:1281 4.50 (# 1281:20 Double Ambig)
&rst
ixpk= 1281, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 973, 662, 663,
igr2= 975, 609, 610, 609, 610,
&end
#
# 164 LYS HN 161 SER HA 6.00 (# 1282:20 Unique 3.27, 3.66 A)
&rst
ixpk= 1282, nxpk= 20, iat=1022, 975, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 158 PHE HE 121 ARG HA 6.00 (# 1283:20 Unique 2.38, 3.73 A)
&rst
ixpk= 1283, nxpk= 20, iat= -1, 324, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 929, 933,
&end
#
# 184 GLU HN 183 ILE HA 3.50 (# 1284:20 Unique 2.87, 3.42 A)
&rst
ixpk= 1284, nxpk= 20, iat=1369,1352, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:1285 183 ILE HA 3.50 (# 1285:20 Single Ambig)
&rst
ixpk= 1285, nxpk= 20, iat= -1,1352, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1350,1384,
&end
#
# 178 ILE HN 178 ILE HA 6.00 (# 1286:20 Unique 2.93, 2.95 A)
&rst
ixpk= 1286, nxpk= 20, iat=1275,1277, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 179 LEU HN 178 ILE HA 4.50 (# 1287:20 Unique 2.29, 2.36 A)
&rst
ixpk= 1287, nxpk= 20, iat=1294,1277, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 129 LYS HN 126 LYS HA 6.00 (# 1288:20 Unique 3.12, 3.84 A)
&rst
ixpk= 1288, nxpk= 20, iat= 455, 402, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 127 THR HN 126 LYS HA 6.00 (# 1289:20 Unique 3.50, 3.55 A)
&rst
ixpk= 1289, nxpk= 20, iat= 422, 402, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 145 GLU HN 145 GLU HA 6.00 (# 1290:20 Unique 2.86, 2.87 A)
&rst
ixpk= 1290, nxpk= 20, iat= 723, 725, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 148 SER HN 148 SER HA 6.00 (# 1291:20 Unique 2.93, 2.97 A)
&rst
ixpk= 1291, nxpk= 20, iat= 775, 777, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:1292 160 GLN HA 6.00 (# 1292:20 Single Ambig)
&rst
ixpk= 1292, nxpk= 20, iat= -1, 958, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 973, 984,
&end
#
# 0 AMB 20-2:1293 119 LYS HA 6.00 (# 1293:20 Single Ambig)
&rst
ixpk= 1293, nxpk= 20, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 346, 361,
&end
#
# 0 AMB 20-2:1294 0 AMB 20-1:1294 4.50 (# 1294:20 Double Ambig)
&rst
ixpk= 1294, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 667, 322,
igr2= 669, 283,
&end
#
# 145 GLU HN 146 LYS HA 6.00 (# 1295:20 Unique 5.40, 5.44 A)
&rst
ixpk= 1295, nxpk= 20, iat= 723, 740, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 168 GLU HN 168 GLU HA 6.00 (# 1296:20 Unique 2.83, 2.88 A)
&rst
ixpk= 1296, nxpk= 20, iat=1096,1098, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:1297 0 AMB 20-1:1297 6.00 (# 1297:20 Double Ambig)
&rst
ixpk= 1297, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1003,1111,
igr2= 958,1098,
&end
#
# 0 AMB 20-2:1298 119 LYS HA 6.00 (# 1298:20 Single Ambig)
&rst
ixpk= 1298, nxpk= 20, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 346, 361,
&end
#
# 129 LYS HN 128 LEU HA 6.00 (# 1299:20 Unique 3.48, 3.57 A)
&rst
ixpk= 1299, nxpk= 20, iat= 455, 438, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 164 LYS HN 164 LYS HA 4.50 (# 1300:20 Unique 2.86, 2.89 A)
&rst
ixpk= 1300, nxpk= 20, iat=1022,1024, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 165 MET HN 164 LYS HA 6.00 (# 1301:20 Unique 3.50, 3.53 A)
&rst
ixpk= 1301, nxpk= 20, iat=1044,1024, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 142 LYS HN 139 GLU HA 6.00 (# 1302:20 Unique 3.18, 3.32 A)
&rst
ixpk= 1302, nxpk= 20, iat= 667, 618, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 142 LYS HN 139 GLU HA 6.00 (# 1303:20 Unique 3.18, 3.32 A)
&rst
ixpk= 1303, nxpk= 20, iat= 667, 618, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 130 ARG HN 129 LYS HA 6.00 (# 1304:20 Unique 3.48, 3.54 A)
&rst
ixpk= 1304, nxpk= 20, iat= 477, 457, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:1305 0 AMB 20-1:1305 3.50 (# 1305:20 Double Ambig)
&rst
ixpk= 1305, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 760, 738,
igr2= 762, 740,
&end
#
# 162 LEU HN 162 LEU HA 6.00 (# 1306:20 Unique 2.82, 2.86 A)
&rst
ixpk= 1306, nxpk= 20, iat= 984, 986, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 185 SER HN 185 SER HA 4.50 (# 1307:20 Unique 2.78, 2.86 A)
&rst
ixpk= 1307, nxpk= 20, iat=1384,1386, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 140 LEU HN 139 GLU HA 6.00 (# 1308:20 Unique 3.55, 3.58 A)
&rst
ixpk= 1308, nxpk= 20, iat= 631, 618, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 139 GLU HN 139 GLU HA 4.50 (# 1309:20 Unique 2.88, 2.93 A)
&rst
ixpk= 1309, nxpk= 20, iat= 616, 618, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 148 SER HN 147 GLU HA 6.00 (# 1310:20 Unique 3.53, 3.58 A)
&rst
ixpk= 1310, nxpk= 20, iat= 775, 762, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 117 ALA HN 115 SER HA 6.00 (# 1311:20 Unique 3.72, 3.98 A)
&rst
ixpk= 1311, nxpk= 20, iat= 261, 230, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 116 LYS HN 115 SER HA 6.00 (# 1312:20 Unique 3.51, 3.53 A)
&rst
ixpk= 1312, nxpk= 20, iat= 239, 230, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 174 ARG HN 174 ARG HA 6.00 (# 1313:20 Unique 2.75, 2.83 A)
&rst
ixpk= 1313, nxpk= 20, iat=1206,1208, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 175 GLY HN 174 ARG HA 6.00 (# 1314:20 Unique 2.09, 2.21 A)
&rst
ixpk= 1314, nxpk= 20, iat=1230,1208, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 115 SER HN 115 SER HA 6.00 (# 1315:20 Unique 2.96, 2.98 A)
&rst
ixpk= 1315, nxpk= 20, iat= 228, 230, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 166 TYR HN 165 MET HA 6.00 (# 1316:20 Unique 3.55, 3.57 A)
&rst
ixpk= 1316, nxpk= 20, iat=1061,1046, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:1317 165 MET HA 4.50 (# 1317:20 Single Ambig)
&rst
ixpk= 1317, nxpk= 20, iat= -1,1046, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1044,1069,1078,
&end
#
# 140 LEU HN 140 LEU HA 6.00 (# 1318:20 Unique 2.86, 2.88 A)
&rst
ixpk= 1318, nxpk= 20, iat= 631, 633, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 175 GLY HN 174 ARG HA 6.00 (# 1319:20 Unique 2.09, 2.21 A)
&rst
ixpk= 1319, nxpk= 20, iat=1230,1208, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 184 GLU HN 184 GLU HA 3.50 (# 1320:20 Unique 2.25, 2.85 A)
&rst
ixpk= 1320, nxpk= 20, iat=1369,1371, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:1321 184 GLU HA 3.50 (# 1321:20 Single Ambig)
&rst
ixpk= 1321, nxpk= 20, iat= -1,1371, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1384,1350,
&end
#
# 131 HIS HN 130 ARG HA 4.50 (# 1322:20 Unique 3.21, 3.39 A)
&rst
ixpk= 1322, nxpk= 20, iat= 501, 479, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 130 ARG HN 130 ARG HA 4.50 (# 1323:20 Unique 2.90, 2.94 A)
&rst
ixpk= 1323, nxpk= 20, iat= 477, 479, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:1324 187 GLU HA 3.50 (# 1324:20 Single Ambig)
&rst
ixpk= 1324, nxpk= 20, iat= -1,1416, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1429,1414,
&end
#
# 0 AMB 20-2:1325 0 AMB 20-1:1325 2.80 (# 1325:20 Double Ambig)
&rst
ixpk= 1325, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 104, 56,
igr2= 82, 106, 58,
&end
#
# 180 GLU HN 180 GLU HA 4.50 (# 1326:20 Unique 2.91, 2.97 A)
&rst
ixpk= 1326, nxpk= 20, iat=1313,1315, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 181 GLY HN 180 GLU HA 3.50 (# 1327:20 Unique 2.13, 2.18 A)
&rst
ixpk= 1327, nxpk= 20, iat=1328,1315, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 183 ILE HN 182 GLU HA 2.80 (# 1328:20 Unique 2.17, 2.29 A)
&rst
ixpk= 1328, nxpk= 20, iat=1350,1337, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 20-2:1329 186 LEU HA 3.50 (# 1329:20 Single Ambig)
&rst
ixpk= 1329, nxpk= 20, iat= -1,1397, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1414,1395,
&end
#
# 174 ARG HN 173 TYR HA 3.50 (# 1330:20 Unique 2.46, 2.58 A)
&rst
ixpk= 1330, nxpk= 20, iat=1206,1187, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:1331 173 TYR HA 3.50 (# 1331:20 Single Ambig)
&rst
ixpk= 1331, nxpk= 20, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1193,1202,1185,
&end
#
# 0 AMB 20-2:1332 0 AMB 20-1:1332 6.00 (# 1332:20 Double Ambig)
&rst
ixpk= 1332, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 812, 984, 662, 663,
igr2= 814, 941,
&end
#
# 152 ILE HN 151 GLU HA 6.00 (# 1333:20 Unique 2.15, 2.31 A)
&rst
ixpk= 1333, nxpk= 20, iat= 827, 814, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 123 ALA HN 123 ALA HA 6.00 (# 1334:20 Unique 2.82, 2.87 A)
&rst
ixpk= 1334, nxpk= 20, iat= 361, 363, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 112 ARG HN 111 ALA HA 3.50 (# 1335:20 Unique 2.32, 2.42 A)
&rst
ixpk= 1335, nxpk= 20, iat= 183, 175, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 111 ALA HN 111 ALA HA 4.50 (# 1336:20 Unique 2.86, 2.91 A)
&rst
ixpk= 1336, nxpk= 20, iat= 173, 175, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 168 GLU HN 167 PRO HD- 6.00 (# 1337:20 Unique 3.04, 3.67 A)
&rst
ixpk= 1337, nxpk= 20, iat=1096, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1083,1084,
&end
#
# 173 TYR HN 172 PRO HD- 8.00 (# 1338:20 Unique 3.13, 3.81 A)
&rst
ixpk= 1338, nxpk= 20, iat=1185, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1172,1173,
&end
#
# 171 LYS HA 172 PRO HD+ 8.00 (# 1339:20 Unique 2.11, 2.63 A)
&rst
ixpk= 1339, nxpk= 20, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1172,1173,
&end
#
# 150 LEU HN 149 GLY HA- 6.00 (# 1340:20 Unique 2.84, 3.34 A)
&rst
ixpk= 1340, nxpk= 20, iat= 793, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 788, 789,
&end
#
# 149 GLY HN 149 GLY HA- 6.00 (# 1341:20 Unique 2.25, 2.61 A)
&rst
ixpk= 1341, nxpk= 20, iat= 786, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 788, 789,
&end
#
# 109 GLY HN 109 GLY HA+ 4.50 (# 1342:20 Unique 2.27, 2.57 A)
&rst
ixpk= 1342, nxpk= 20, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 154, 155,
&end
#
# 110 THR HN 109 GLY HA+ 4.50 (# 1343:20 Unique 2.07, 2.53 A)
&rst
ixpk= 1343, nxpk= 20, iat= 159, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 154, 155,
&end
#
# 109 GLY HN 109 GLY HA- 3.50 (# 1344:20 Unique 2.27, 2.57 A)
&rst
ixpk= 1344, nxpk= 20, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 154, 155,
&end
#
# 181 GLY HN 181 GLY HA- 3.50 (# 1345:20 Unique 2.29, 2.59 A)
&rst
ixpk= 1345, nxpk= 20, iat=1328, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1330,1331,
&end
#
# 182 GLU HN 181 GLY HA- 3.50 (# 1346:20 Unique 2.14, 2.59 A)
&rst
ixpk= 1346, nxpk= 20, iat=1335, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1330,1331,
&end
#
# 182 GLU HN 181 GLY HA+ 3.50 (# 1347:20 Unique 2.14, 2.59 A)
&rst
ixpk= 1347, nxpk= 20, iat=1335, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1330,1331,
&end
#
# 181 GLY HN 181 GLY HA+ 3.50 (# 1348:20 Unique 2.29, 2.59 A)
&rst
ixpk= 1348, nxpk= 20, iat=1328, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1330,1331,
&end
#
# 179 LEU HN 179 LEU HB- 6.00 (# 1349:20 Unique 2.53, 2.96 A)
&rst
ixpk= 1349, nxpk= 20, iat=1294, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1298,1299,
&end
#
# 174 ARG HN 174 ARG HD+ 6.00 (# 1350:20 Unique 3.99, 4.73 A)
&rst
ixpk= 1350, nxpk= 20, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1216,1217,
&end
#
# 130 ARG HN 0 AMB 20-1:1351 4.50 (# 1351:20 Single Ambig)
&rst
ixpk= 1351, nxpk= 20, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 487, 488, 487, 488,
&end
#
# 0 AMB 20-2:1352 0 AMB 20-1:1352 3.50 (# 1352:20 Double Ambig)
&rst
ixpk= 1352, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 56, 104, 128,
igr2= 66, 67, 66, 67, 90, 91, 90, 91, 114, 115,
114, 115, 90, 91, 66, 67, 138, 139,
&end
#
# 170 LYS HN 0 AMB 20-1:1353 6.00 (# 1353:20 Single Ambig)
&rst
ixpk= 1353, nxpk= 20, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1140,1141,1140,1141,
&end
#
# 173 TYR HD 173 TYR HB- 4.50 (# 1354:20 Unique 2.33, 3.08 A)
&rst
ixpk= 1354, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1193,1202,
igr2=1189,1190,
&end
#
# 176 GLN HN 171 LYS HE+ 6.00 (# 1355:20 Unique 5.57, 6.68 A)
&rst
ixpk= 1355, nxpk= 20, iat=1237, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1162,1163,
&end
#
# 175 GLY HN 171 LYS HE- 8.00 (# 1356:20 Unique 4.75, 6.55 A)
&rst
ixpk= 1356, nxpk= 20, iat=1230, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1162,1163,
&end
#
# 176 GLN HN 171 LYS HE- 8.00 (# 1357:20 Unique 5.57, 6.68 A)
&rst
ixpk= 1357, nxpk= 20, iat=1237, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1162,1163,
&end
#
# 174 ARG HN 173 TYR HB+ 6.00 (# 1358:20 Unique 2.27, 3.56 A)
&rst
ixpk= 1358, nxpk= 20, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1189,1190,
&end
#
# 173 TYR HD 173 TYR HB+ 3.50 (# 1359:20 Unique 2.33, 3.08 A)
&rst
ixpk= 1359, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1193,1202,
igr2=1189,1190,
&end
#
# 176 GLN HE2- 0 AMB 20-1:1360 6.00 (# 1360:20 Single Ambig)
&rst
ixpk= 1360, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1249,1250,
igr2= 585, 586, 585, 586,
&end
#
# 0 AMB 20-2:1361 0 AMB 20-1:1361 6.00 (# 1361:20 Double Ambig)
&rst
ixpk= 1361, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1249,1250,1249,1250,
igr2= 585, 586, 585, 586,
&end
#
# 139 GLU HN 0 AMB 20-1:1362 6.00 (# 1362:20 Single Ambig)
&rst
ixpk= 1362, nxpk= 20, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 585, 586, 585, 586,
&end
#
# 0 AMB 20-2:1363 0 AMB 20-1:1363 4.50 (# 1363:20 Double Ambig)
&rst
ixpk= 1363, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 812, 667,
igr2= 252, 253, 680, 681, 680, 681,
&end
#
# 164 LYS HN 0 AMB 20-1:1364 6.00 (# 1364:20 Single Ambig)
&rst
ixpk= 1364, nxpk= 20, iat=1022, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1035,1036,1035,1036,
&end
#
# 0 AMB 20-2:1365 0 AMB 20-1:1365 3.50 (# 1365:20 Double Ambig)
&rst
ixpk= 1365, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1395,1414,1429,
igr2=1399,1400,1399,1400,1399,1400,
&end
#
# 0 AMB 20-2:1366 186 LEU HB- 4.50 (# 1366:20 Single Ambig)
&rst
ixpk= 1366, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1395,1414,1429,
igr2=1399,1400,
&end
#
# 136 LYS HN 135 ILE HB 4.50 (# 1367:20 Unique 4.06, 4.09 A)
&rst
ixpk= 1367, nxpk= 20, iat= 572, 557, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 137 SER HN 0 AMB 20-1:1368 6.00 (# 1368:20 Single Ambig)
&rst
ixpk= 1368, nxpk= 20, iat= 594, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 585, 586, 585, 586,
&end
#
# 0 AMB 20-2:1369 0 AMB 20-1:1369 4.50 (# 1369:20 Double Ambig)
&rst
ixpk= 1369, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 738, 760, 956,
igr2= 751, 752, 751, 752,1035,1036,1035,1036,
&end
#
# 127 THR HN 0 AMB 20-1:1370 6.00 (# 1370:20 Single Ambig)
&rst
ixpk= 1370, nxpk= 20, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 413, 414, 413, 414, 468, 469,
&end
#
# 129 LYS HN 129 LYS HE+ 6.00 (# 1371:20 Unique 3.79, 4.79 A)
&rst
ixpk= 1371, nxpk= 20, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 468, 469,
&end
#
# 0 AMB 20-2:1372 0 AMB 20-1:1372 6.00 (# 1372:20 Double Ambig)
&rst
ixpk= 1372, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 455, 381,
igr2= 468, 469, 413, 414, 413, 414,
&end
#
# 166 TYR HD 166 TYR HB+ 6.00 (# 1373:20 Unique 2.27, 3.07 A)
&rst
ixpk= 1373, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1069,1078,
igr2=1065,1066,
&end
#
# 166 TYR HD 166 TYR HB- 6.00 (# 1374:20 Unique 2.27, 3.07 A)
&rst
ixpk= 1374, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1069,1078,
igr2=1065,1066,
&end
#
# 164 LYS HN 163 ILE HB 6.00 (# 1375:20 Unique 2.56, 2.70 A)
&rst
ixpk= 1375, nxpk= 20, iat=1022,1007, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 184 GLU HN 183 ILE HB 6.00 (# 1376:20 Unique 3.09, 4.02 A)
&rst
ixpk= 1376, nxpk= 20, iat=1369,1354, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 183 ILE HN 183 ILE HB 3.50 (# 1377:20 Unique 2.13, 2.59 A)
&rst
ixpk= 1377, nxpk= 20, iat=1350,1354, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 132 ASN HD2+ 132 ASN HB+ 4.50 (# 1378:20 Unique 2.23, 3.28 A)
&rst
ixpk= 1378, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 528, 529,
igr2= 523, 524,
&end
#
# 132 ASN HD2- 132 ASN HB+ 4.50 (# 1379:20 Unique 2.23, 3.28 A)
&rst
ixpk= 1379, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 528, 529,
igr2= 523, 524,
&end
#
# 133 ALA HN 132 ASN HB- 6.00 (# 1380:20 Unique 2.78, 3.76 A)
&rst
ixpk= 1380, nxpk= 20, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 523, 524,
&end
#
# 132 ASN HD2+ 132 ASN HB- 4.50 (# 1381:20 Unique 2.23, 3.28 A)
&rst
ixpk= 1381, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 528, 529,
igr2= 523, 524,
&end
#
# 132 ASN HD2- 132 ASN HB- 6.00 (# 1382:20 Unique 2.23, 3.28 A)
&rst
ixpk= 1382, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 528, 529,
igr2= 523, 524,
&end
#
# 163 ILE HN 163 ILE HB 6.00 (# 1383:20 Unique 2.30, 2.35 A)
&rst
ixpk= 1383, nxpk= 20, iat=1003,1007, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 163 ILE HN 163 ILE HB 6.00 (# 1384:20 Unique 2.30, 2.35 A)
&rst
ixpk= 1384, nxpk= 20, iat=1003,1007, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 133 ALA HN 132 ASN HB+ 6.00 (# 1385:20 Unique 2.78, 3.76 A)
&rst
ixpk= 1385, nxpk= 20, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 523, 524,
&end
#
# 168 GLU HN 168 GLU HG+ 8.00 (# 1386:20 Unique 1.99, 3.31 A)
&rst
ixpk= 1386, nxpk= 20, iat=1096, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1103,1104,
&end
#
# 151 GLU HN 151 GLU HG+ 4.50 (# 1387:20 Unique 2.23, 3.26 A)
&rst
ixpk= 1387, nxpk= 20, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 819, 820,
&end
#
# 143 GLU HN 143 GLU HG+ 4.50 (# 1388:20 Unique 2.24, 3.19 A)
&rst
ixpk= 1388, nxpk= 20, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 696, 697,
&end
#
# 143 GLU HN 143 GLU HG- 4.50 (# 1389:20 Unique 2.24, 3.19 A)
&rst
ixpk= 1389, nxpk= 20, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 696, 697,
&end
#
# 180 GLU HN 180 GLU HG+ 6.00 (# 1390:20 Unique 2.48, 3.28 A)
&rst
ixpk= 1390, nxpk= 20, iat=1313, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1320,1321,
&end
#
# 180 GLU HN 180 GLU HG- 6.00 (# 1391:20 Unique 2.48, 3.28 A)
&rst
ixpk= 1391, nxpk= 20, iat=1313, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1320,1321,
&end
#
# 181 GLY HN 180 GLU HG- 4.50 (# 1392:20 Unique 4.12, 4.73 A)
&rst
ixpk= 1392, nxpk= 20, iat=1328, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1320,1321,
&end
#
# 152 ILE HN 151 GLU HG- 6.00 (# 1393:20 Unique 4.11, 4.77 A)
&rst
ixpk= 1393, nxpk= 20, iat= 827, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 819, 820,
&end
#
# 151 GLU HN 151 GLU HG- 4.50 (# 1394:20 Unique 2.23, 3.26 A)
&rst
ixpk= 1394, nxpk= 20, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 819, 820,
&end
#
# 140 LEU HN 139 GLU HG- 6.00 (# 1395:20 Unique 4.14, 4.68 A)
&rst
ixpk= 1395, nxpk= 20, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 623, 624,
&end
#
# 139 GLU HN 139 GLU HG- 4.50 (# 1396:20 Unique 2.13, 3.06 A)
&rst
ixpk= 1396, nxpk= 20, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 623, 624,
&end
#
# 139 GLU HN 139 GLU HG+ 4.50 (# 1397:20 Unique 2.13, 3.06 A)
&rst
ixpk= 1397, nxpk= 20, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 623, 624,
&end
#
# 140 LEU HN 139 GLU HG+ 6.00 (# 1398:20 Unique 4.14, 4.68 A)
&rst
ixpk= 1398, nxpk= 20, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 623, 624,
&end
#
# 125 ILE HN 125 ILE HB 4.50 (# 1399:20 Unique 2.09, 2.18 A)
&rst
ixpk= 1399, nxpk= 20, iat= 381, 385, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:1400 0 AMB 20-1:1400 6.00 (# 1400:20 Double Ambig)
&rst
ixpk= 1400, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 346, 361,
igr2= 353, 354, 353, 354,
&end
#
# 184 GLU HN 184 GLU HG+ 6.00 (# 1401:20 Unique 2.06, 3.30 A)
&rst
ixpk= 1401, nxpk= 20, iat=1369, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1376,1377,
&end
#
# 184 GLU HN 0 AMB 20-1:1402 6.00 (# 1402:20 Single Ambig)
&rst
ixpk= 1402, nxpk= 20, iat=1369, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1376,1377,1342,1343,
&end
#
# 187 GLU HN 187 GLU HG+ 4.50 (# 1403:20 Unique 2.21, 3.36 A)
&rst
ixpk= 1403, nxpk= 20, iat=1414, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1421,1422,
&end
#
# 182 GLU HN 182 GLU HG+ 4.50 (# 1404:20 Unique 2.03, 3.41 A)
&rst
ixpk= 1404, nxpk= 20, iat=1335, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1342,1343,
&end
#
# 0 AMB 20-2:1405 0 AMB 20-1:1405 4.50 (# 1405:20 Double Ambig)
&rst
ixpk= 1405, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1335,1447,
igr2=1342,1343,1421,1422,
&end
#
# 0 AMB 20-2:1406 147 GLU HG- 4.50 (# 1406:20 Single Ambig)
&rst
ixpk= 1406, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 760, 738,
igr2= 767, 768,
&end
#
# 0 AMB 20-2:1407 0 AMB 20-1:1407 4.50 (# 1407:20 Double Ambig)
&rst
ixpk= 1407, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 760, 738,
igr2= 767, 768, 767, 768,
&end
#
# 170 LYS HN 170 LYS HB+ 8.00 (# 1408:20 Unique 2.64, 3.31 A)
&rst
ixpk= 1408, nxpk= 20, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1131,1132,
&end
#
# 171 LYS HN 170 LYS HB+ 6.00 (# 1409:20 Unique 2.30, 3.06 A)
&rst
ixpk= 1409, nxpk= 20, iat=1149, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1131,1132,
&end
#
# 171 LYS HN 170 LYS HB- 6.00 (# 1410:20 Unique 2.30, 3.06 A)
&rst
ixpk= 1410, nxpk= 20, iat=1149, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1131,1132,
&end
#
# 170 LYS HN 170 LYS HB- 6.00 (# 1411:20 Unique 2.64, 3.31 A)
&rst
ixpk= 1411, nxpk= 20, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1131,1132,
&end
#
# 0 AMB 20-2:1412 0 AMB 20-1:1412 4.50 (# 1412:20 Double Ambig)
&rst
ixpk= 1412, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1044,1069,1078,
igr2=1048,1049,1048,1049,
&end
#
# 166 TYR HE 165 MET HB+ 6.00 (# 1413:20 Unique 3.13, 4.71 A)
&rst
ixpk= 1413, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1071,1076,
igr2=1048,1049,
&end
#
# 0 AMB 20-2:1414 165 MET HB- 4.50 (# 1414:20 Single Ambig)
&rst
ixpk= 1414, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1044,1069,1078,
igr2=1048,1049,
&end
#
# 166 TYR HN 165 MET HB- 4.50 (# 1415:20 Unique 2.72, 3.32 A)
&rst
ixpk= 1415, nxpk= 20, iat=1061, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1048,1049,
&end
#
# 160 GLN HN 160 GLN HG+ 4.50 (# 1416:20 Unique 2.80, 3.93 A)
&rst
ixpk= 1416, nxpk= 20, iat= 956, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 963, 964,
&end
#
# 160 GLN HE2+ 160 GLN HG+ 4.50 (# 1417:20 Unique 2.45, 3.30 A)
&rst
ixpk= 1417, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 968, 969,
igr2= 963, 964,
&end
#
# 160 GLN HE2- 160 GLN HG+ 6.00 (# 1418:20 Unique 2.45, 3.30 A)
&rst
ixpk= 1418, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 968, 969,
igr2= 963, 964,
&end
#
# 161 SER HN 160 GLN HG+ 6.00 (# 1419:20 Unique 3.63, 4.86 A)
&rst
ixpk= 1419, nxpk= 20, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 963, 964,
&end
#
# 161 SER HN 160 GLN HG- 6.00 (# 1420:20 Unique 3.63, 4.86 A)
&rst
ixpk= 1420, nxpk= 20, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 963, 964,
&end
#
# 160 GLN HN 160 GLN HG- 4.50 (# 1421:20 Unique 2.80, 3.93 A)
&rst
ixpk= 1421, nxpk= 20, iat= 956, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 963, 964,
&end
#
# 160 GLN HE2+ 160 GLN HG- 4.50 (# 1422:20 Unique 2.45, 3.30 A)
&rst
ixpk= 1422, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 968, 969,
igr2= 963, 964,
&end
#
# 160 GLN HE2- 160 GLN HG- 4.50 (# 1423:20 Unique 2.45, 3.30 A)
&rst
ixpk= 1423, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 968, 969,
igr2= 963, 964,
&end
#
# 0 AMB 20-2:1424 0 AMB 20-1:1424 6.00 (# 1424:20 Double Ambig)
&rst
ixpk= 1424, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1249,1250,1249,1250,
igr2=1244,1245, 576, 577,
&end
#
# 137 SER HN 0 AMB 20-1:1425 6.00 (# 1425:20 Single Ambig)
&rst
ixpk= 1425, nxpk= 20, iat= 594, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1244,1245, 576, 577,
&end
#
# 176 GLN HE2- 0 AMB 20-1:1426 6.00 (# 1426:20 Single Ambig)
&rst
ixpk= 1426, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1249,1250,
igr2=1244,1245, 576, 577,
&end
#
# 164 LYS HN 165 MET HB+ 6.00 (# 1427:20 Unique 4.78, 5.44 A)
&rst
ixpk= 1427, nxpk= 20, iat=1022, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1048,1049,
&end
#
# 166 TYR HN 165 MET HB+ 6.00 (# 1428:20 Unique 2.72, 3.32 A)
&rst
ixpk= 1428, nxpk= 20, iat=1061, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1048,1049,
&end
#
# 0 AMB 20-2:1429 0 AMB 20-1:1429 6.00 (# 1429:20 Double Ambig)
&rst
ixpk= 1429, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1249,1250,1022,
igr2= 576, 577,1048,1049,
&end
#
# 136 LYS HN 136 LYS HB- 6.00 (# 1430:20 Unique 2.34, 2.61 A)
&rst
ixpk= 1430, nxpk= 20, iat= 572, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 576, 577,
&end
#
# 166 TYR HE 165 MET HB- 6.00 (# 1431:20 Unique 3.13, 4.71 A)
&rst
ixpk= 1431, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1071,1076,
igr2=1048,1049,
&end
#
# 176 GLN HE2- 176 GLN HG+ 4.50 (# 1432:20 Unique 2.33, 3.16 A)
&rst
ixpk= 1432, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1249,1250,
igr2=1244,1245,
&end
#
# 173 TYR HN 176 GLN HG+ 8.00 (# 1433:20 Unique 4.39, 5.11 A)
&rst
ixpk= 1433, nxpk= 20, iat=1185, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1244,1245,
&end
#
# 176 GLN HE2+ 176 GLN HG+ 4.50 (# 1434:20 Unique 2.33, 3.16 A)
&rst
ixpk= 1434, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1249,1250,
igr2=1244,1245,
&end
#
# 136 LYS HN 0 AMB 20-1:1435 6.00 (# 1435:20 Single Ambig)
&rst
ixpk= 1435, nxpk= 20, iat= 572, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 576, 577,1244,1245,
&end
#
# 139 GLU HN 136 LYS HB+ 6.00 (# 1436:20 Unique 2.76, 3.86 A)
&rst
ixpk= 1436, nxpk= 20, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 576, 577,
&end
#
# 136 LYS HN 0 AMB 20-1:1437 6.00 (# 1437:20 Single Ambig)
&rst
ixpk= 1437, nxpk= 20, iat= 572, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 576, 577,1244,1245,
&end
#
# 139 GLU HN 136 LYS HB- 6.00 (# 1438:20 Unique 2.76, 3.86 A)
&rst
ixpk= 1438, nxpk= 20, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 576, 577,
&end
#
# 173 TYR HN 176 GLN HB+ 6.00 (# 1439:20 Unique 2.31, 3.15 A)
&rst
ixpk= 1439, nxpk= 20, iat=1185, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1241,1242,
&end
#
# 166 TYR HN 165 MET HG+ 6.00 (# 1440:20 Unique 3.74, 4.69 A)
&rst
ixpk= 1440, nxpk= 20, iat=1061, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1051,1052,
&end
#
# 130 ARG HN 0 AMB 20-1:1441 6.00 (# 1441:20 Single Ambig)
&rst
ixpk= 1441, nxpk= 20, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 459, 460, 459, 460,
&end
#
# 130 ARG HN 0 AMB 20-1:1442 6.00 (# 1442:20 Single Ambig)
&rst
ixpk= 1442, nxpk= 20, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 459, 460, 459, 460,
&end
#
# 129 LYS HN 126 LYS HB+ 6.00 (# 1443:20 Unique 5.31, 5.91 A)
&rst
ixpk= 1443, nxpk= 20, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 404, 405,
&end
#
# 127 THR HN 126 LYS HB+ 6.00 (# 1444:20 Unique 2.45, 3.17 A)
&rst
ixpk= 1444, nxpk= 20, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 404, 405,
&end
#
# 166 TYR HN 165 MET HG+ 6.00 (# 1445:20 Unique 3.74, 4.69 A)
&rst
ixpk= 1445, nxpk= 20, iat=1061, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1051,1052,
&end
#
# 0 AMB 20-2:1446 0 AMB 20-1:1446 3.50 (# 1446:20 Double Ambig)
&rst
ixpk= 1446, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1044,1069,1078,
igr2=1051,1052,1051,1052,
&end
#
# 164 LYS HN 165 MET HG- 8.00 (# 1447:20 Unique 4.76, 6.00 A)
&rst
ixpk= 1447, nxpk= 20, iat=1022, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1051,1052,
&end
#
# 0 AMB 20-2:1448 165 MET HG- 4.50 (# 1448:20 Single Ambig)
&rst
ixpk= 1448, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1044,1069,1078,
igr2=1051,1052,
&end
#
# 142 LYS HN 142 LYS HB+ 4.50 (# 1449:20 Unique 2.38, 3.05 A)
&rst
ixpk= 1449, nxpk= 20, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 671, 672,
&end
#
# 145 GLU HN 0 AMB 20-1:1450 6.00 (# 1450:20 Single Ambig)
&rst
ixpk= 1450, nxpk= 20, iat= 723, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 742, 743, 742, 743, 671, 672,
&end
#
# 0 AMB 20-2:1451 0 AMB 20-1:1451 6.00 (# 1451:20 Double Ambig)
&rst
ixpk= 1451, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 303, 704,
igr2= 285, 286, 742, 743,
&end
#
# 166 TYR HN 165 MET HG- 6.00 (# 1452:20 Unique 3.74, 4.69 A)
&rst
ixpk= 1452, nxpk= 20, iat=1061, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1051,1052,
&end
#
# 0 AMB 20-2:1453 0 AMB 20-1:1453 6.00 (# 1453:20 Double Ambig)
&rst
ixpk= 1453, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 303, 704,
igr2= 285, 286, 742, 743,
&end
#
# 0 AMB 20-2:1454 0 AMB 20-1:1454 2.80 (# 1454:20 Double Ambig)
&rst
ixpk= 1454, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 738, 760,
igr2= 742, 743, 742, 743, 742, 743,
&end
#
# 142 LYS HN 142 LYS HB- 4.50 (# 1455:20 Unique 2.38, 3.05 A)
&rst
ixpk= 1455, nxpk= 20, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 671, 672,
&end
#
# 164 LYS HN 0 AMB 20-1:1456 3.50 (# 1456:20 Single Ambig)
&rst
ixpk= 1456, nxpk= 20, iat=1022, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1026,1027,1026,1027,
&end
#
# 165 MET HN 0 AMB 20-1:1457 3.50 (# 1457:20 Single Ambig)
&rst
ixpk= 1457, nxpk= 20, iat=1044, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1026,1027,1026,1027,
&end
#
# 163 ILE HN 0 AMB 20-1:1458 6.00 (# 1458:20 Single Ambig)
&rst
ixpk= 1458, nxpk= 20, iat=1003, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1026,1027,1026,1027,
&end
#
# 119 LYS HN 119 LYS HB+ 6.00 (# 1459:20 Unique 2.24, 2.91 A)
&rst
ixpk= 1459, nxpk= 20, iat= 281, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 285, 286,
&end
#
# 114 GLY HN 113 PRO HB+ 6.00 (# 1460:20 Unique 2.76, 3.39 A)
&rst
ixpk= 1460, nxpk= 20, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 214, 215,
&end
#
# 173 TYR HN 172 PRO HB+ 6.00 (# 1461:20 Unique 2.72, 3.66 A)
&rst
ixpk= 1461, nxpk= 20, iat=1185, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1178,1179,
&end
#
# 114 GLY HN 113 PRO HB- 4.50 (# 1462:20 Unique 2.76, 3.39 A)
&rst
ixpk= 1462, nxpk= 20, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 214, 215,
&end
#
# 173 TYR HN 172 PRO HB- 6.00 (# 1463:20 Unique 2.72, 3.66 A)
&rst
ixpk= 1463, nxpk= 20, iat=1185, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1178,1179,
&end
#
# 173 TYR HN 172 PRO HB- 6.00 (# 1464:20 Unique 2.72, 3.66 A)
&rst
ixpk= 1464, nxpk= 20, iat=1185, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1178,1179,
&end
#
# 151 GLU HN 151 GLU HB+ 4.50 (# 1465:20 Unique 2.18, 3.08 A)
&rst
ixpk= 1465, nxpk= 20, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 816, 817,
&end
#
# 152 ILE HN 151 GLU HB- 6.00 (# 1466:20 Unique 2.45, 3.29 A)
&rst
ixpk= 1466, nxpk= 20, iat= 827, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 816, 817,
&end
#
# 151 GLU HN 151 GLU HB- 4.50 (# 1467:20 Unique 2.18, 3.08 A)
&rst
ixpk= 1467, nxpk= 20, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 816, 817,
&end
#
# 180 GLU HN 180 GLU HB- 4.50 (# 1468:20 Unique 2.37, 3.07 A)
&rst
ixpk= 1468, nxpk= 20, iat=1313, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1317,1318,
&end
#
# 181 GLY HN 180 GLU HB- 4.50 (# 1469:20 Unique 2.76, 3.86 A)
&rst
ixpk= 1469, nxpk= 20, iat=1328, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1317,1318,
&end
#
# 180 GLU HN 180 GLU HB+ 4.50 (# 1470:20 Unique 2.37, 3.07 A)
&rst
ixpk= 1470, nxpk= 20, iat=1313, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1317,1318,
&end
#
# 181 GLY HN 180 GLU HB+ 4.50 (# 1471:20 Unique 2.76, 3.86 A)
&rst
ixpk= 1471, nxpk= 20, iat=1328, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1317,1318,
&end
#
# 0 AMB 20-2:1472 0 AMB 20-1:1472 3.50 (# 1472:20 Double Ambig)
&rst
ixpk= 1472, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 80, 104, 56,
igr2= 60, 61, 84, 85, 108, 109,
&end
#
# 0 AMB 20-2:1473 0 AMB 20-1:1473 3.50 (# 1473:20 Double Ambig)
&rst
ixpk= 1473, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 80, 104, 56,
igr2= 60, 61, 84, 85, 84, 85, 60, 61, 108, 109,
&end
#
# 0 AMB 20-2:1474 0 AMB 20-1:1474 6.00 (# 1474:20 Double Ambig)
&rst
ixpk= 1474, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 501, 533,
igr2= 505, 506, 505, 506,
&end
#
# 0 AMB 20-2:1475 131 HIS HB- 6.00 (# 1475:20 Single Ambig)
&rst
ixpk= 1475, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 501, 533,
igr2= 505, 506,
&end
#
# 130 ARG HN 131 HIS HB- 6.00 (# 1476:20 Unique 4.68, 5.51 A)
&rst
ixpk= 1476, nxpk= 20, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 505, 506,
&end
#
# 0 AMB 20-2:1477 169 VAL HB 6.00 (# 1477:20 Single Ambig)
&rst
ixpk= 1477, nxpk= 20, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1111,1003,
&end
#
# 182 GLU HN 182 GLU HB- 2.80 (# 1478:20 Unique 2.10, 3.09 A)
&rst
ixpk= 1478, nxpk= 20, iat=1335, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1339,1340,
&end
#
# 182 GLU HN 182 GLU HB+ 3.50 (# 1479:20 Unique 2.10, 3.09 A)
&rst
ixpk= 1479, nxpk= 20, iat=1335, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1339,1340,
&end
#
# 174 ARG HN 174 ARG HB- 6.00 (# 1480:20 Unique 2.25, 2.91 A)
&rst
ixpk= 1480, nxpk= 20, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1210,1211,
&end
#
# 131 HIS HN 130 ARG HB- 6.00 (# 1481:20 Unique 3.96, 4.31 A)
&rst
ixpk= 1481, nxpk= 20, iat= 501, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 481, 482,
&end
#
# 130 ARG HN 0 AMB 20-1:1482 6.00 (# 1482:20 Single Ambig)
&rst
ixpk= 1482, nxpk= 20, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 481, 482, 481, 482,
&end
#
# 130 ARG HN 0 AMB 20-1:1483 6.00 (# 1483:20 Single Ambig)
&rst
ixpk= 1483, nxpk= 20, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 481, 482, 481, 482,
&end
#
# 131 HIS HN 130 ARG HB+ 6.00 (# 1484:20 Unique 3.96, 4.31 A)
&rst
ixpk= 1484, nxpk= 20, iat= 501, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 481, 482,
&end
#
# 144 ILE HN 143 GLU HB+ 6.00 (# 1485:20 Unique 2.52, 3.18 A)
&rst
ixpk= 1485, nxpk= 20, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 693, 694,
&end
#
# 184 GLU HN 184 GLU HB+ 3.50 (# 1486:20 Unique 2.33, 3.11 A)
&rst
ixpk= 1486, nxpk= 20, iat=1369, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1373,1374,
&end
#
# 0 AMB 20-2:1487 0 AMB 20-1:1487 6.00 (# 1487:20 Double Ambig)
&rst
ixpk= 1487, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1384,1350,
igr2=1373,1374,1373,1374,
&end
#
# 184 GLU HN 184 GLU HB- 3.50 (# 1488:20 Unique 2.33, 3.11 A)
&rst
ixpk= 1488, nxpk= 20, iat=1369, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1373,1374,
&end
#
# 147 GLU HN 147 GLU HB- 4.50 (# 1489:20 Unique 2.24, 2.50 A)
&rst
ixpk= 1489, nxpk= 20, iat= 760, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 764, 765,
&end
#
# 114 GLY HN 112 ARG HB+ 8.00 (# 1490:20 Unique 6.16, 7.02 A)
&rst
ixpk= 1490, nxpk= 20, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 187, 188,
&end
#
# 0 AMB 20-2:1491 187 GLU HB- 4.50 (# 1491:20 Single Ambig)
&rst
ixpk= 1491, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1414,1429,
igr2=1418,1419,
&end
#
# 189 HIS HN 189 HIS HB- 6.00 (# 1492:20 Unique 2.24, 3.00 A)
&rst
ixpk= 1492, nxpk= 20, iat=1447, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1451,1452,
&end
#
# 143 GLU HN 143 GLU HB+ 6.00 (# 1493:20 Unique 2.02, 2.95 A)
&rst
ixpk= 1493, nxpk= 20, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 693, 694,
&end
#
# 147 GLU HN 147 GLU HB+ 3.50 (# 1494:20 Unique 2.24, 2.50 A)
&rst
ixpk= 1494, nxpk= 20, iat= 760, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 764, 765,
&end
#
# 144 ILE HN 143 GLU HB- 6.00 (# 1495:20 Unique 2.52, 3.18 A)
&rst
ixpk= 1495, nxpk= 20, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 693, 694,
&end
#
# 127 THR HN 0 AMB 20-1:1496 6.00 (# 1496:20 Single Ambig)
&rst
ixpk= 1496, nxpk= 20, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 410, 411, 410, 411,
&end
#
# 126 LYS HN 0 AMB 20-1:1497 6.00 (# 1497:20 Single Ambig)
&rst
ixpk= 1497, nxpk= 20, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 410, 411, 410, 411,
&end
#
# 177 TYR HE 0 AMB 20-1:1498 8.00 (# 1498:20 Single Ambig)
&rst
ixpk= 1498, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1=1264,1269,
igr2=1159,1160,1159,1160,
&end
#
# 171 LYS HN 171 LYS HD+ 8.00 (# 1499:20 Unique 4.07, 5.64 A)
&rst
ixpk= 1499, nxpk= 20, iat=1149, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1159,1160,
&end
#
# 189 HIS HN 189 HIS HB+ 6.00 (# 1500:20 Unique 2.24, 3.00 A)
&rst
ixpk= 1500, nxpk= 20, iat=1447, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1451,1452,
&end
#
# 188 HIS HD2 188 HIS HB+ 3.50 (# 1501:20 Unique 2.54, 3.18 A)
&rst
ixpk= 1501, nxpk= 20, iat=1443, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1433,1434,
&end
#
# 188 HIS HD2 188 HIS HB- 3.50 (# 1502:20 Unique 2.54, 3.18 A)
&rst
ixpk= 1502, nxpk= 20, iat=1443, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1433,1434,
&end
#
# 140 LEU HN 139 GLU HB+ 4.50 (# 1503:20 Unique 2.59, 3.20 A)
&rst
ixpk= 1503, nxpk= 20, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 620, 621,
&end
#
# 139 GLU HN 139 GLU HB+ 3.50 (# 1504:20 Unique 2.39, 3.06 A)
&rst
ixpk= 1504, nxpk= 20, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 620, 621,
&end
#
# 0 AMB 20-2:1505 0 AMB 20-1:1505 6.00 (# 1505:20 Double Ambig)
&rst
ixpk= 1505, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 322, 667,
igr2= 350, 351, 620, 621,
&end
#
# 137 SER HN 136 LYS HD+ 6.00 (# 1506:20 Unique 2.31, 4.78 A)
&rst
ixpk= 1506, nxpk= 20, iat= 594, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 582, 583,
&end
#
# 136 LYS HN 139 GLU HB- 4.50 (# 1507:20 Unique 2.84, 3.83 A)
&rst
ixpk= 1507, nxpk= 20, iat= 572, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 620, 621,
&end
#
# 0 AMB 20-2:1508 0 AMB 20-1:1508 6.00 (# 1508:20 Double Ambig)
&rst
ixpk= 1508, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 455, 381,
igr2= 465, 466, 410, 411, 410, 411,
&end
#
# 188 HIS HN 188 HIS HB+ 4.50 (# 1509:20 Unique 2.27, 3.06 A)
&rst
ixpk= 1509, nxpk= 20, iat=1429, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1433,1434,
&end
#
# 187 GLU HN 188 HIS HB- 8.00 (# 1510:20 Unique 4.59, 5.68 A)
&rst
ixpk= 1510, nxpk= 20, iat=1414, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1433,1434,
&end
#
# 137 SER HN 139 GLU HB- 6.00 (# 1511:20 Unique 5.40, 6.46 A)
&rst
ixpk= 1511, nxpk= 20, iat= 594, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 620, 621,
&end
#
# 139 GLU HN 139 GLU HB- 6.00 (# 1512:20 Unique 2.39, 3.06 A)
&rst
ixpk= 1512, nxpk= 20, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 620, 621,
&end
#
# 139 GLU HN 142 LYS HD- 8.00 (# 1513:20 Unique 4.40, 5.92 A)
&rst
ixpk= 1513, nxpk= 20, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 677, 678,
&end
#
# 164 LYS HN 0 AMB 20-1:1514 6.00 (# 1514:20 Single Ambig)
&rst
ixpk= 1514, nxpk= 20, iat=1022, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1032,1033,1032,1033,
&end
#
# 165 MET HN 0 AMB 20-1:1515 6.00 (# 1515:20 Single Ambig)
&rst
ixpk= 1515, nxpk= 20, iat=1044, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1032,1033,1032,1033,
&end
#
# 0 AMB 20-2:1516 0 AMB 20-1:1516 6.00 (# 1516:20 Double Ambig)
&rst
ixpk= 1516, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 400, 477,
igr2= 465, 466, 465, 466, 465, 466,
&end
#
# 129 LYS HN 129 LYS HD- 6.00 (# 1517:20 Unique 3.50, 4.75 A)
&rst
ixpk= 1517, nxpk= 20, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 465, 466,
&end
#
# 145 GLU HN 145 GLU HB+ 6.00 (# 1518:20 Unique 2.37, 2.65 A)
&rst
ixpk= 1518, nxpk= 20, iat= 723, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 727, 728,
&end
#
# 145 GLU HN 145 GLU HB- 8.00 (# 1519:20 Unique 2.37, 2.65 A)
&rst
ixpk= 1519, nxpk= 20, iat= 723, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 727, 728,
&end
#
# 0 AMB 20-2:1520 0 AMB 20-1:1520 6.00 (# 1520:20 Double Ambig)
&rst
ixpk= 1520, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 667, 812,
igr2= 677, 678, 249, 250,
&end
#
# 122 GLU HN 0 AMB 20-1:1521 6.00 (# 1521:20 Single Ambig)
&rst
ixpk= 1521, nxpk= 20, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 329, 330, 291, 292,
&end
#
# 0 AMB 20-2:1522 0 AMB 20-1:1522 4.50 (# 1522:20 Double Ambig)
&rst
ixpk= 1522, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 738, 760,
igr2= 748, 749, 748, 749, 748, 749,
&end
#
# 0 AMB 20-2:1523 0 AMB 20-1:1523 4.50 (# 1523:20 Double Ambig)
&rst
ixpk= 1523, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 984, 667,
igr2= 329, 330, 677, 678,
&end
#
# 168 GLU HN 168 GLU HB+ 8.00 (# 1524:20 Unique 2.34, 3.04 A)
&rst
ixpk= 1524, nxpk= 20, iat=1096, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1100,1101,
&end
#
# 179 LEU HN 178 ILE HG1- 6.00 (# 1525:20 Unique 2.21, 2.50 A)
&rst
ixpk= 1525, nxpk= 20, iat=1294, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1285,1286,
&end
#
# 179 LEU HN 178 ILE HG1+ 6.00 (# 1526:20 Unique 2.21, 2.50 A)
&rst
ixpk= 1526, nxpk= 20, iat=1294, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1285,1286,
&end
#
# 179 LEU HN 178 ILE HG1+ 6.00 (# 1527:20 Unique 2.21, 2.50 A)
&rst
ixpk= 1527, nxpk= 20, iat=1294, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1285,1286,
&end
#
# 161 SER HN 160 GLN HB+ 4.50 (# 1528:20 Unique 2.86, 3.37 A)
&rst
ixpk= 1528, nxpk= 20, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 960, 961,
&end
#
# 160 GLN HN 160 GLN HB- 6.00 (# 1529:20 Unique 2.21, 2.78 A)
&rst
ixpk= 1529, nxpk= 20, iat= 956, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 960, 961,
&end
#
# 161 SER HN 160 GLN HB- 6.00 (# 1530:20 Unique 2.86, 3.37 A)
&rst
ixpk= 1530, nxpk= 20, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 960, 961,
&end
#
# 170 LYS HN 170 LYS HD+ 6.00 (# 1531:20 Unique 4.44, 5.15 A)
&rst
ixpk= 1531, nxpk= 20, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1137,1138,
&end
#
# 160 GLN HN 0 AMB 20-1:1532 4.50 (# 1532:20 Single Ambig)
&rst
ixpk= 1532, nxpk= 20, iat= 956, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 960, 961, 943, 944,
&end
#
# 170 LYS HN 170 LYS HD- 6.00 (# 1533:20 Unique 4.44, 5.15 A)
&rst
ixpk= 1533, nxpk= 20, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1137,1138,
&end
#
# 140 LEU HN 135 ILE HG1+ 4.50 (# 1534:20 Unique 2.55, 3.34 A)
&rst
ixpk= 1534, nxpk= 20, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 563, 564,
&end
#
# 170 LYS HN 170 LYS HD- 6.00 (# 1535:20 Unique 4.44, 5.15 A)
&rst
ixpk= 1535, nxpk= 20, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1137,1138,
&end
#
# 180 GLU HN 170 LYS HD- 6.00 (# 1536:20 Unique 4.06, 5.81 A)
&rst
ixpk= 1536, nxpk= 20, iat=1313, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1137,1138,
&end
#
# 136 LYS HN 135 ILE HG1+ 6.00 (# 1537:20 Unique 2.43, 2.69 A)
&rst
ixpk= 1537, nxpk= 20, iat= 572, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 563, 564,
&end
#
# 114 GLY HN 113 PRO HG+ 8.00 (# 1538:20 Unique 4.53, 5.11 A)
&rst
ixpk= 1538, nxpk= 20, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 211, 212,
&end
#
# 131 HIS HN 130 ARG HG+ 8.00 (# 1539:20 Unique 2.62, 3.40 A)
&rst
ixpk= 1539, nxpk= 20, iat= 501, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 484, 485,
&end
#
# 130 ARG HN 130 ARG HG+ 6.00 (# 1540:20 Unique 2.08, 2.78 A)
&rst
ixpk= 1540, nxpk= 20, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 484, 485,
&end
#
# 130 ARG HN 130 ARG HG- 6.00 (# 1541:20 Unique 2.08, 2.78 A)
&rst
ixpk= 1541, nxpk= 20, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 484, 485,
&end
#
# 180 GLU HN 179 LEU HG 6.00 (# 1542:20 Unique 2.43, 3.29 A)
&rst
ixpk= 1542, nxpk= 20, iat=1313,1301, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &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= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 56, 104, 80,
igr2= 63, 64, 63, 64, 111, 112, 111, 112, 87, 88,
87, 88, 63, 64, 87, 88, 63, 64,
&end
#
# 186 LEU HN 186 LEU HG 6.00 (# 1544:20 Unique 2.31, 3.02 A)
&rst
ixpk= 1544, nxpk= 20, iat=1395,1402, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:1545 179 LEU HG 8.00 (# 1545:20 Single Ambig)
&rst
ixpk= 1545, nxpk= 20, iat= -1,1301, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1328, 455,
&end
#
# 0 AMB 20-2:1546 183 ILE HG1- 4.50 (# 1546:20 Single Ambig)
&rst
ixpk= 1546, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1384,1350,
igr2=1360,1361,
&end
#
# 184 GLU HN 183 ILE HG1- 6.00 (# 1547:20 Unique 3.74, 5.02 A)
&rst
ixpk= 1547, nxpk= 20, iat=1369, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1360,1361,
&end
#
# 0 AMB 20-2:1548 0 AMB 20-1:1548 4.50 (# 1548:20 Double Ambig)
&rst
ixpk= 1548, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1384,1350,
igr2=1360,1361,1360,1361,
&end
#
# 0 AMB 20-2:1549 125 ILE HG1- 6.00 (# 1549:20 Single Ambig)
&rst
ixpk= 1549, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 381, 455,
igr2= 391, 392,
&end
#
# 154 ASN HN 153 PRO HG+ 6.00 (# 1550:20 Unique 4.29, 4.71 A)
&rst
ixpk= 1550, nxpk= 20, iat= 860, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 850, 851,
&end
#
# 168 GLU HN 167 PRO HG+ 6.00 (# 1551:20 Unique 4.70, 4.85 A)
&rst
ixpk= 1551, nxpk= 20, iat=1096, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1086,1087,
&end
#
# 168 GLU HN 167 PRO HG- 6.00 (# 1552:20 Unique 4.70, 4.85 A)
&rst
ixpk= 1552, nxpk= 20, iat=1096, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1086,1087,
&end
#
# 112 ARG HN 112 ARG HG+ 6.00 (# 1553:20 Unique 2.69, 3.71 A)
&rst
ixpk= 1553, nxpk= 20, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 190, 191,
&end
#
# 0 AMB 20-2:1554 0 AMB 20-1:1554 6.00 (# 1554:20 Double Ambig)
&rst
ixpk= 1554, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 183, 303,
igr2= 190, 191, 850, 851,
&end
#
# 0 AMB 20-2:1555 0 AMB 20-1:1555 6.00 (# 1555:20 Double Ambig)
&rst
ixpk= 1555, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 381, 455,
igr2= 391, 392, 391, 392,
&end
#
# 0 AMB 20-2:1556 0 AMB 20-1:1556 6.00 (# 1556:20 Double Ambig)
&rst
ixpk= 1556, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 631,1111,
igr2= 640, 641, 642, 644, 645, 646, 445, 446, 447, 449,
450, 451,
&end
#
# 173 TYR HN 172 PRO HG+ 6.00 (# 1557:20 Unique 2.61, 4.33 A)
&rst
ixpk= 1557, nxpk= 20, iat=1185, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1175,1176,
&end
#
# 0 AMB 20-2:1558 0 AMB 20-1:1558 6.00 (# 1558:20 Double Ambig)
&rst
ixpk= 1558, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1003, 631,1111,
igr2= 991, 638,
&end
#
# 158 PHE HE 140 LEU HG 6.00 (# 1559:20 Unique 4.49, 7.27 A)
&rst
ixpk= 1559, nxpk= 20, iat= -1, 638, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 929, 933,
&end
#
# 0 AMB 20-2:1560 0 AMB 20-1:1560 6.00 (# 1560:20 Double Ambig)
&rst
ixpk= 1560, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1=1275, 594, 371,
igr2= 445, 446, 447, 449, 450, 451, 640, 641, 642, 644,
645, 646,
&end
#
# 0 AMB 20-2:1561 0 AMB 20-1:1561 6.00 (# 1561:20 Double Ambig)
&rst
ixpk= 1561, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 631,1111,
igr2= 640, 641, 642, 644, 645, 646, 445, 446, 447, 449,
450, 451,
&end
#
# 0 AMB 20-2:1562 0 AMB 20-1:1562 6.00 (# 1562:20 Double Ambig)
&rst
ixpk= 1562, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1=1275, 594, 371,
igr2= 445, 446, 447, 449, 450, 451, 640, 641, 642, 644,
645, 646,
&end
#
# 128 LEU HN 0 AMB 20-1:1563 6.00 (# 1563:20 Single Ambig)
&rst
ixpk= 1563, nxpk= 20, iat= 436, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr2= 445, 446, 447, 449, 450, 451, 640, 641, 642, 644,
645, 646,
&end
#
# 173 TYR HN 172 PRO HG- 6.00 (# 1564:20 Unique 2.61, 4.33 A)
&rst
ixpk= 1564, nxpk= 20, iat=1185, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1175,1176,
&end
#
# 151 GLU HN 150 LEU MDY 6.00 (# 1565:20 Unique 2.91, 4.89 A)
&rst
ixpk= 1565, nxpk= 20, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 802, 803, 804, 806, 807, 808,
&end
#
# 150 LEU HN 150 LEU MDY 6.00 (# 1566:20 Unique 2.23, 4.51 A)
&rst
ixpk= 1566, nxpk= 20, iat= 793, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 802, 803, 804, 806, 807, 808,
&end
#
# 0 AMB 20-2:1567 0 AMB 20-1:1567 6.00 (# 1567:20 Double Ambig)
&rst
ixpk= 1567, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 984, 501, 667,
igr2= 991,1303,1304,1305,1307,1308,1309, 638,
&end
#
# 0 AMB 20-2:1568 128 LEU MDY 6.00 (# 1568:20 Single Ambig)
&rst
ixpk= 1568, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 381, 455,
igr2= 445, 446, 447, 449, 450, 451,
&end
#
# 179 LEU HN 128 LEU MDY 6.00 (# 1569:20 Unique 3.33, 5.30 A)
&rst
ixpk= 1569, nxpk= 20, iat=1294, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 445, 446, 447, 449, 450, 451,
&end
#
# 129 LYS HN 129 LYS HG- 6.00 (# 1570:20 Unique 2.33, 3.11 A)
&rst
ixpk= 1570, nxpk= 20, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 462, 463,
&end
#
# 129 LYS HN 129 LYS HG+ 6.00 (# 1571:20 Unique 2.33, 3.11 A)
&rst
ixpk= 1571, nxpk= 20, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 462, 463,
&end
#
# 180 GLU HN 179 LEU MDX 4.50 (# 1572:20 Unique 2.22, 4.69 A)
&rst
ixpk= 1572, nxpk= 20, iat=1313, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1303,1304,1305,1307,1308,1309,
&end
#
# 179 LEU HN 179 LEU MDX 4.50 (# 1573:20 Unique 4.32, 5.48 A)
&rst
ixpk= 1573, nxpk= 20, iat=1294, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1303,1304,1305,1307,1308,1309,
&end
#
# 183 ILE HN 179 LEU MDX 6.00 (# 1574:20 Unique 3.11, 5.21 A)
&rst
ixpk= 1574, nxpk= 20, iat=1350, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1303,1304,1305,1307,1308,1309,
&end
#
# 0 AMB 20-2:1575 179 LEU MDX 4.50 (# 1575:20 Single Ambig)
&rst
ixpk= 1575, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 455,1328,
igr2=1303,1304,1305,1307,1308,1309,
&end
#
# 137 SER HN 136 LYS HG+ 6.00 (# 1576:20 Unique 2.22, 2.68 A)
&rst
ixpk= 1576, nxpk= 20, iat= 594, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 579, 580,
&end
#
# 139 GLU HN 136 LYS HG+ 6.00 (# 1577:20 Unique 2.87, 4.07 A)
&rst
ixpk= 1577, nxpk= 20, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 579, 580,
&end
#
# 137 SER HN 136 LYS HG+ 6.00 (# 1578:20 Unique 2.22, 2.68 A)
&rst
ixpk= 1578, nxpk= 20, iat= 594, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 579, 580,
&end
#
# 125 ILE HN 162 LEU MDX 6.00 (# 1579:20 Unique 3.00, 5.75 A)
&rst
ixpk= 1579, nxpk= 20, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 993, 994, 995, 997, 998, 999,
&end
#
# 162 LEU HN 162 LEU MDX 4.50 (# 1580:20 Unique 2.52, 4.63 A)
&rst
ixpk= 1580, nxpk= 20, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 993, 994, 995, 997, 998, 999,
&end
#
# 0 AMB 20-2:1581 162 LEU MDX 3.50 (# 1581:20 Single Ambig)
&rst
ixpk= 1581, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1069,1078, 929, 933,
igr2= 993, 994, 995, 997, 998, 999,
&end
#
# 158 PHE HZ 162 LEU MDX 6.00 (# 1582:20 Unique 2.46, 4.12 A)
&rst
ixpk= 1582, nxpk= 20, iat= 931, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 993, 994, 995, 997, 998, 999,
&end
#
# 118 ALA HN 116 LYS HG+ 6.00 (# 1583:20 Unique 5.47, 5.91 A)
&rst
ixpk= 1583, nxpk= 20, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 246, 247,
&end
#
# 119 LYS HN 119 LYS HG+ 6.00 (# 1584:20 Unique 2.20, 3.39 A)
&rst
ixpk= 1584, nxpk= 20, iat= 281, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 288, 289,
&end
#
# 143 GLU HN 142 LYS HG+ 6.00 (# 1585:20 Unique 4.28, 4.81 A)
&rst
ixpk= 1585, nxpk= 20, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 674, 675,
&end
#
# 142 LYS HN 142 LYS HG+ 4.50 (# 1586:20 Unique 2.16, 3.00 A)
&rst
ixpk= 1586, nxpk= 20, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 674, 675,
&end
#
# 119 LYS HN 119 LYS HG- 6.00 (# 1587:20 Unique 2.20, 3.39 A)
&rst
ixpk= 1587, nxpk= 20, iat= 281, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 288, 289,
&end
#
# 164 LYS HN 164 LYS HG+ 4.50 (# 1588:20 Unique 2.25, 2.96 A)
&rst
ixpk= 1588, nxpk= 20, iat=1022, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1029,1030,
&end
#
# 165 MET HN 164 LYS HG+ 6.00 (# 1589:20 Unique 2.67, 2.99 A)
&rst
ixpk= 1589, nxpk= 20, iat=1044, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1029,1030,
&end
#
# 0 AMB 20-2:1590 0 AMB 20-1:1590 4.50 (# 1590:20 Double Ambig)
&rst
ixpk= 1590, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 422, 689,
igr2= 407, 408, 674, 675,
&end
#
# 142 LYS HN 142 LYS HG- 4.50 (# 1591:20 Unique 2.16, 3.00 A)
&rst
ixpk= 1591, nxpk= 20, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 674, 675,
&end
#
# 165 MET HN 164 LYS HG- 6.00 (# 1592:20 Unique 2.67, 2.99 A)
&rst
ixpk= 1592, nxpk= 20, iat=1044, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1029,1030,
&end
#
# 164 LYS HN 164 LYS HG- 6.00 (# 1593:20 Unique 2.25, 2.96 A)
&rst
ixpk= 1593, nxpk= 20, iat=1022, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1029,1030,
&end
#
# 127 THR HN 126 LYS HG- 6.00 (# 1594:20 Unique 3.89, 4.68 A)
&rst
ixpk= 1594, nxpk= 20, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 407, 408,
&end
#
# 168 GLU HN 179 LEU MDY 6.00 (# 1595:20 Unique 4.62, 7.07 A)
&rst
ixpk= 1595, nxpk= 20, iat=1096, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1303,1304,1305,1307,1308,1309,
&end
#
# 180 GLU HN 179 LEU MDY 3.50 (# 1596:20 Unique 2.22, 4.69 A)
&rst
ixpk= 1596, nxpk= 20, iat=1313, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1303,1304,1305,1307,1308,1309,
&end
#
# 179 LEU HN 179 LEU MDY 4.50 (# 1597:20 Unique 4.32, 5.48 A)
&rst
ixpk= 1597, nxpk= 20, iat=1294, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1303,1304,1305,1307,1308,1309,
&end
#
# 169 VAL HN 179 LEU MDY 6.00 (# 1598:20 Unique 3.49, 6.10 A)
&rst
ixpk= 1598, nxpk= 20, iat=1111, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1303,1304,1305,1307,1308,1309,
&end
#
# 183 ILE HN 179 LEU MDY 6.00 (# 1599:20 Unique 3.11, 5.21 A)
&rst
ixpk= 1599, nxpk= 20, iat=1350, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1303,1304,1305,1307,1308,1309,
&end
#
# 0 AMB 20-2:1600 179 LEU MDY 4.50 (# 1600:20 Single Ambig)
&rst
ixpk= 1600, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 455,1328,
igr2=1303,1304,1305,1307,1308,1309,
&end
#
# 0 AMB 20-2:1601 186 LEU MDY 6.00 (# 1601:20 Single Ambig)
&rst
ixpk= 1601, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1395,1414,
igr2=1404,1405,1406,1408,1409,1410,
&end
#
# 146 LYS HN 146 LYS HG+ 4.50 (# 1602:20 Unique 2.27, 3.10 A)
&rst
ixpk= 1602, nxpk= 20, iat= 738, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 745, 746,
&end
#
# 146 LYS HN 146 LYS HG- 4.50 (# 1603:20 Unique 2.27, 3.10 A)
&rst
ixpk= 1603, nxpk= 20, iat= 738, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 745, 746,
&end
#
# 173 TYR HN 171 LYS HG- 6.00 (# 1604:20 Unique 2.68, 3.46 A)
&rst
ixpk= 1604, nxpk= 20, iat=1185, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1156,1157,
&end
#
# 0 AMB 20-2:1605 0 AMB 20-1:1605 6.00 (# 1605:20 Double Ambig)
&rst
ixpk= 1605, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1149,1111,
igr2=1134,1135,1134,1135,1134,1135,
&end
#
# 170 LYS HN 170 LYS HG- 6.00 (# 1606:20 Unique 3.13, 3.81 A)
&rst
ixpk= 1606, nxpk= 20, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1134,1135,
&end
#
# 128 LEU HN 128 LEU MDX 6.00 (# 1607:20 Unique 3.60, 4.54 A)
&rst
ixpk= 1607, nxpk= 20, iat= 436, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 445, 446, 447, 449, 450, 451,
&end
#
# 125 ILE HN 128 LEU MDX 8.00 (# 1608:20 Unique 4.23, 6.72 A)
&rst
ixpk= 1608, nxpk= 20, iat= 381, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr2= 445, 446, 447, 449, 450, 451,
&end
#
# 0 AMB 20-2:1609 128 LEU MDX 6.00 (# 1609:20 Single Ambig)
&rst
ixpk= 1609, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1275, 371,
igr2= 445, 446, 447, 449, 450, 451,
&end
#
# 179 LEU HN 128 LEU MDX 6.00 (# 1610:20 Unique 3.33, 5.30 A)
&rst
ixpk= 1610, nxpk= 20, iat=1294, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 445, 446, 447, 449, 450, 451,
&end
#
# 120 LEU HN 120 LEU MDY 6.00 (# 1611:20 Unique 2.29, 4.31 A)
&rst
ixpk= 1611, nxpk= 20, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 312, 313, 314, 316, 317, 318,
&end
#
# 0 AMB 20-2:1612 0 AMB 20-1:1612 6.00 (# 1612:20 Double Ambig)
&rst
ixpk= 1612, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 793, 346,
igr2= 312, 313, 314, 316, 317, 318, 993, 994, 995, 997,
998, 999,
&end
#
# 162 LEU HN 162 LEU MDY 6.00 (# 1613:20 Unique 2.52, 4.63 A)
&rst
ixpk= 1613, nxpk= 20, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 993, 994, 995, 997, 998, 999,
&end
#
# 0 AMB 20-2:1614 186 LEU MDX 4.50 (# 1614:20 Single Ambig)
&rst
ixpk= 1614, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1395,1414,
igr2=1404,1405,1406,1408,1409,1410,
&end
#
# 0 AMB 20-2:1615 156 THR MG2 6.00 (# 1615:20 Single Ambig)
&rst
ixpk= 1615, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2321,2344,
igr2= 897, 898, 899,
&end
#
# 151 GLU HN 150 LEU MDX 3.50 (# 1616:20 Unique 2.91, 4.89 A)
&rst
ixpk= 1616, nxpk= 20, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 802, 803, 804, 806, 807, 808,
&end
#
# 150 LEU HN 150 LEU MDX 4.50 (# 1617:20 Unique 2.23, 4.51 A)
&rst
ixpk= 1617, nxpk= 20, iat= 793, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 802, 803, 804, 806, 807, 808,
&end
#
# 0 AMB 20-2:1618 0 AMB 20-1:1618 4.50 (# 1618:20 Double Ambig)
&rst
ixpk= 1618, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 891, 422, 689,
igr2= 897, 898, 899, 428, 429, 430,
&end
#
# 0 AMB 20-2:1619 0 AMB 20-1:1619 6.00 (# 1619:20 Double Ambig)
&rst
ixpk= 1619, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1842, 477,
igr2= 897, 898, 899, 428, 429, 430,
&end
#
# 128 LEU HN 127 THR MG2 6.00 (# 1620:20 Unique 3.78, 4.68 A)
&rst
ixpk= 1620, nxpk= 20, iat= 436, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 428, 429, 430,
&end
#
# 144 ILE HN 140 LEU MDX 6.00 (# 1621:20 Unique 3.45, 5.79 A)
&rst
ixpk= 1621, nxpk= 20, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 640, 641, 642, 644, 645, 646,
&end
#
# 140 LEU HN 140 LEU MDX 6.00 (# 1622:20 Unique 4.64, 5.18 A)
&rst
ixpk= 1622, nxpk= 20, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 640, 641, 642, 644, 645, 646,
&end
#
# 0 AMB 20-2:1623 140 LEU MDX 6.00 (# 1623:20 Single Ambig)
&rst
ixpk= 1623, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 689, 422,
igr2= 640, 641, 642, 644, 645, 646,
&end
#
# 0 AMB 20-2:1624 0 AMB 20-1:1624 6.00 (# 1624:20 Double Ambig)
&rst
ixpk= 1624, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 786, 455,
igr2= 802, 803, 804, 806, 807, 808, 640, 641, 642, 644,
645, 646,
&end
#
# 168 GLU HN 169 VAL MGY 6.00 (# 1625:20 Unique 4.00, 6.27 A)
&rst
ixpk= 1625, nxpk= 20, iat=1096, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1117,1118,1119,1121,1122,1123,
&end
#
# 170 LYS HN 169 VAL MGY 4.50 (# 1626:20 Unique 2.53, 4.12 A)
&rst
ixpk= 1626, nxpk= 20, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1117,1118,1119,1121,1122,1123,
&end
#
# 169 VAL HN 169 VAL MGY 3.50 (# 1627:20 Unique 2.32, 3.97 A)
&rst
ixpk= 1627, nxpk= 20, iat=1111, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1117,1118,1119,1121,1122,1123,
&end
#
# 166 TYR HD 169 VAL MGY 6.00 (# 1628:20 Unique 3.06, 6.77 A)
&rst
ixpk= 1628, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1069,1078,
igr2=1117,1118,1119,1121,1122,1123,
&end
#
# 157 THR HN 157 THR MG2 4.50 (# 1629:20 Unique 2.15, 3.01 A)
&rst
ixpk= 1629, nxpk= 20, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 911, 912, 913,
&end
#
# 154 ASN HN 157 THR MG2 6.00 (# 1630:20 Unique 5.38, 6.71 A)
&rst
ixpk= 1630, nxpk= 20, iat= 860, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 911, 912, 913,
&end
#
# 0 AMB 20-2:1631 0 AMB 20-1:1631 4.50 (# 1631:20 Double Ambig)
&rst
ixpk= 1631, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 42, 173,
igr2= 48, 49, 50, 34, 35, 36, 165, 166, 167,
&end
#
# 110 THR HN 110 THR MG2 4.50 (# 1632:20 Unique 2.53, 3.73 A)
&rst
ixpk= 1632, nxpk= 20, iat= 159, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 165, 166, 167,
&end
#
# 170 LYS HN 169 VAL MGX 4.50 (# 1633:20 Unique 2.53, 4.12 A)
&rst
ixpk= 1633, nxpk= 20, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1117,1118,1119,1121,1122,1123,
&end
#
# 169 VAL HN 169 VAL MGX 4.50 (# 1634:20 Unique 2.32, 3.97 A)
&rst
ixpk= 1634, nxpk= 20, iat=1111, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1117,1118,1119,1121,1122,1123,
&end
#
# 134 ALA HN 133 ALA MB 2.80 (# 1635:20 Unique 2.27, 3.34 A)
&rst
ixpk= 1635, nxpk= 20, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 537, 538, 539,
&end
#
# 133 ALA HN 133 ALA MB 3.50 (# 1636:20 Unique 2.42, 3.04 A)
&rst
ixpk= 1636, nxpk= 20, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 537, 538, 539,
&end
#
# 124 ALA HN 124 ALA MB 4.50 (# 1637:20 Unique 2.42, 2.87 A)
&rst
ixpk= 1637, nxpk= 20, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 375, 376, 377,
&end
#
# 125 ILE HN 124 ALA MB 4.50 (# 1638:20 Unique 2.60, 3.54 A)
&rst
ixpk= 1638, nxpk= 20, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 375, 376, 377,
&end
#
# 158 PHE HE 124 ALA MB 4.50 (# 1639:20 Unique 2.31, 4.19 A)
&rst
ixpk= 1639, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 929, 933,
igr2= 375, 376, 377,
&end
#
# 158 PHE HZ 124 ALA MB 6.00 (# 1640:20 Unique 2.27, 2.92 A)
&rst
ixpk= 1640, nxpk= 20, iat= 931, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 375, 376, 377,
&end
#
# 110 THR HN 111 ALA MB 6.00 (# 1641:20 Unique 4.26, 5.37 A)
&rst
ixpk= 1641, nxpk= 20, iat= 159, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 177, 178, 179,
&end
#
# 112 ARG HN 111 ALA MB 3.50 (# 1642:20 Unique 1.99, 3.01 A)
&rst
ixpk= 1642, nxpk= 20, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 177, 178, 179,
&end
#
# 111 ALA HN 111 ALA MB 2.80 (# 1643:20 Unique 2.52, 3.46 A)
&rst
ixpk= 1643, nxpk= 20, iat= 173, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 177, 178, 179,
&end
#
# 0 AMB 20-2:1644 124 ALA MB 6.00 (# 1644:20 Single Ambig)
&rst
ixpk= 1644, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 303, 704,
igr2= 375, 376, 377,
&end
#
# 0 AMB 20-2:1645 124 ALA MB 6.00 (# 1645:20 Single Ambig)
&rst
ixpk= 1645, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 361, 346,
igr2= 375, 376, 377,
&end
#
# 148 SER HN 123 ALA MB 6.00 (# 1646:20 Unique 3.34, 4.74 A)
&rst
ixpk= 1646, nxpk= 20, iat= 775, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 365, 366, 367,
&end
#
# 124 ALA HN 123 ALA MB 6.00 (# 1647:20 Unique 2.53, 3.54 A)
&rst
ixpk= 1647, nxpk= 20, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 365, 366, 367,
&end
#
# 0 AMB 20-2:1648 123 ALA MB 6.00 (# 1648:20 Single Ambig)
&rst
ixpk= 1648, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 303, 704,
igr2= 365, 366, 367,
&end
#
# 0 AMB 20-2:1649 123 ALA MB 6.00 (# 1649:20 Single Ambig)
&rst
ixpk= 1649, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 760, 738,
igr2= 365, 366, 367,
&end
#
# 123 ALA HN 123 ALA MB 3.50 (# 1650:20 Unique 2.38, 2.86 A)
&rst
ixpk= 1650, nxpk= 20, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 365, 366, 367,
&end
#
# 145 GLU HN 144 ILE QG2 6.00 (# 1651:20 Unique 3.41, 4.51 A)
&rst
ixpk= 1651, nxpk= 20, iat= 723, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 710, 711, 712,
&end
#
# 0 AMB 20-2:1652 144 ILE QG2 6.00 (# 1652:20 Single Ambig)
&rst
ixpk= 1652, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 760, 738,
igr2= 710, 711, 712,
&end
#
# 143 GLU HN 144 ILE QG2 8.00 (# 1653:20 Unique 6.88, 7.39 A)
&rst
ixpk= 1653, nxpk= 20, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr2= 710, 711, 712,
&end
#
# 0 AMB 20-2:1654 144 ILE QG2 4.50 (# 1654:20 Single Ambig)
&rst
ixpk= 1654, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 704, 303,
igr2= 710, 711, 712,
&end
#
# 117 ALA HN 117 ALA MB 6.00 (# 1655:20 Unique 2.39, 2.82 A)
&rst
ixpk= 1655, nxpk= 20, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 265, 266, 267,
&end
#
# 119 LYS HN 118 ALA MB 4.50 (# 1656:20 Unique 2.37, 3.47 A)
&rst
ixpk= 1656, nxpk= 20, iat= 281, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 275, 276, 277,
&end
#
# 120 LEU HN 118 ALA MB 6.00 (# 1657:20 Unique 4.72, 5.48 A)
&rst
ixpk= 1657, nxpk= 20, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 275, 276, 277,
&end
#
# 118 ALA HN 118 ALA MB 4.50 (# 1658:20 Unique 2.39, 2.85 A)
&rst
ixpk= 1658, nxpk= 20, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 275, 276, 277,
&end
#
# 135 ILE HN 134 ALA MB 4.50 (# 1659:20 Unique 2.66, 3.60 A)
&rst
ixpk= 1659, nxpk= 20, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 547, 548, 549,
&end
#
# 134 ALA HN 134 ALA MB 3.50 (# 1660:20 Unique 2.47, 2.88 A)
&rst
ixpk= 1660, nxpk= 20, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 547, 548, 549,
&end
#
# 177 TYR HN 134 ALA MB 6.00 (# 1661:20 Unique 3.95, 5.37 A)
&rst
ixpk= 1661, nxpk= 20, iat=1254, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 547, 548, 549,
&end
#
# 173 TYR HN 134 ALA MB 6.00 (# 1662:20 Unique 5.04, 6.73 A)
&rst
ixpk= 1662, nxpk= 20, iat=1185, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 547, 548, 549,
&end
#
# 158 PHE HE 159 MET ME 6.00 (# 1663:20 Unique 2.34, 5.75 A)
&rst
ixpk= 1663, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 929, 933,
igr2= 950, 951, 952,
&end
#
# 178 ILE HN 134 ALA MB 6.00 (# 1664:20 Unique 5.19, 6.17 A)
&rst
ixpk= 1664, nxpk= 20, iat=1275, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 547, 548, 549,
&end
#
# 0 AMB 20-2:1665 159 MET ME 6.00 (# 1665:20 Single Ambig)
&rst
ixpk= 1665, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 650, 874,
igr2= 950, 951, 952,
&end
#
# 140 LEU HN 159 MET ME 6.00 (# 1666:20 Unique 4.95, 6.35 A)
&rst
ixpk= 1666, nxpk= 20, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 950, 951, 952,
&end
#
# 0 AMB 20-2:1667 159 MET ME 8.00 (# 1667:20 Single Ambig)
&rst
ixpk= 1667, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 984, 667,
igr2= 950, 951, 952,
&end
#
# 158 PHE HD 159 MET ME 6.00 (# 1668:20 Unique 2.76, 5.76 A)
&rst
ixpk= 1668, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 927, 935,
igr2= 950, 951, 952,
&end
#
# 166 TYR HD 183 ILE QG2 6.00 (# 1669:20 Unique 2.67, 6.92 A)
&rst
ixpk= 1669, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1069,1078,
igr2=1356,1357,1358,
&end
#
# 166 TYR HE 183 ILE QG2 6.00 (# 1670:20 Unique 2.98, 6.80 A)
&rst
ixpk= 1670, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1071,1076,
igr2=1356,1357,1358,
&end
#
# 184 GLU HN 183 ILE QG2 4.50 (# 1671:20 Unique 2.48, 3.66 A)
&rst
ixpk= 1671, nxpk= 20, iat=1369, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1356,1357,1358,
&end
#
# 0 AMB 20-2:1672 183 ILE QG2 4.50 (# 1672:20 Single Ambig)
&rst
ixpk= 1672, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1384,1350,
igr2=1356,1357,1358,
&end
#
# 127 THR HN 125 ILE QG2 6.00 (# 1673:20 Unique 4.99, 6.11 A)
&rst
ixpk= 1673, nxpk= 20, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 387, 388, 389,
&end
#
# 125 ILE HN 125 ILE QG2 4.50 (# 1674:20 Unique 2.70, 4.30 A)
&rst
ixpk= 1674, nxpk= 20, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 387, 388, 389,
&end
#
# 0 AMB 20-2:1675 0 AMB 20-1:1675 6.00 (# 1675:20 Double Ambig)
&rst
ixpk= 1675, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 662, 663, 984,
igr2= 885, 886, 887,1055,1056,1057,
&end
#
# 0 AMB 20-2:1676 0 AMB 20-1:1676 4.50 (# 1676:20 Double Ambig)
&rst
ixpk= 1676, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 662, 663,1071,1076,
igr2= 885, 886, 887,1055,1056,1057,
&end
#
# 152 ILE HN 152 ILE QG2 6.00 (# 1677:20 Unique 2.14, 4.48 A)
&rst
ixpk= 1677, nxpk= 20, iat= 827, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 833, 834, 835,
&end
#
# 158 PHE HD 152 ILE QG2 6.00 (# 1678:20 Unique 3.05, 6.61 A)
&rst
ixpk= 1678, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 927, 935,
igr2= 833, 834, 835,
&end
#
# 141 GLN HE2- 152 ILE QG2 6.00 (# 1679:20 Unique 2.51, 4.94 A)
&rst
ixpk= 1679, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 662, 663,
igr2= 833, 834, 835,
&end
#
# 0 AMB 20-2:1680 165 MET ME 6.00 (# 1680:20 Single Ambig)
&rst
ixpk= 1680, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1069,1078,1044,
igr2=1055,1056,1057,
&end
#
# 0 AMB 20-2:1681 163 ILE QG2 4.50 (# 1681:20 Single Ambig)
&rst
ixpk= 1681, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1003,1149,1111,
igr2=1009,1010,1011,
&end
#
# 164 LYS HN 163 ILE QG2 4.50 (# 1682:20 Unique 3.06, 4.04 A)
&rst
ixpk= 1682, nxpk= 20, iat=1022, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1009,1010,1011,
&end
#
# 0 AMB 20-2:1683 135 ILE QG2 6.00 (# 1683:20 Single Ambig)
&rst
ixpk= 1683, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 594,1275,
igr2= 559, 560, 561,
&end
#
# 135 ILE HN 135 ILE QG2 3.50 (# 1684:20 Unique 2.32, 3.18 A)
&rst
ixpk= 1684, nxpk= 20, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 559, 560, 561,
&end
#
# 136 LYS HN 135 ILE QG2 4.50 (# 1685:20 Unique 4.16, 4.86 A)
&rst
ixpk= 1685, nxpk= 20, iat= 572, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 559, 560, 561,
&end
#
# 177 TYR HN 135 ILE QG2 6.00 (# 1686:20 Unique 3.66, 4.42 A)
&rst
ixpk= 1686, nxpk= 20, iat=1254, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 559, 560, 561,
&end
#
# 0 AMB 20-2:1687 0 AMB 20-1:1687 3.50 (# 1687:20 Double Ambig)
&rst
ixpk= 1687, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 704,1294,
igr2= 717, 718, 719,1281,1282,1283,
&end
#
# 173 TYR HN 178 ILE QG2 6.00 (# 1688:20 Unique 6.14, 7.25 A)
&rst
ixpk= 1688, nxpk= 20, iat=1185, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1281,1282,1283,
&end
#
# 171 LYS HA 178 ILE QG2 6.00 (# 1689:20 Unique 4.02, 5.24 A)
&rst
ixpk= 1689, nxpk= 20, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1281,1282,1283,
&end
#
# 0 AMB 20-2:1690 0 AMB 20-1:1690 6.00 (# 1690:20 Double Ambig)
&rst
ixpk= 1690, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1149, 631,
igr2=1281,1282,1283, 717, 718, 719,
&end
#
# 177 TYR HA 178 ILE QG2 6.00 (# 1691:20 Unique 3.64, 4.79 A)
&rst
ixpk= 1691, nxpk= 20, iat=1256, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1281,1282,1283,
&end
#
# 135 ILE HN 178 ILE QG2 6.00 (# 1692:20 Unique 5.74, 6.36 A)
&rst
ixpk= 1692, nxpk= 20, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1281,1282,1283,
&end
#
# 0 AMB 20-2:1693 0 AMB 20-1:1693 3.50 (# 1693:20 Double Ambig)
&rst
ixpk= 1693, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1275, 371,
igr2=1281,1282,1283, 717, 718, 719,
&end
#
# 133 ALA HN 178 ILE QD1 6.00 (# 1694:20 Unique 4.14, 5.90 A)
&rst
ixpk= 1694, nxpk= 20, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1288,1289,1290,
&end
#
# 135 ILE HN 178 ILE QD1 6.00 (# 1695:20 Unique 5.25, 6.27 A)
&rst
ixpk= 1695, nxpk= 20, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1288,1289,1290,
&end
#
# 178 ILE HN 178 ILE QD1 6.00 (# 1696:20 Unique 5.61, 6.00 A)
&rst
ixpk= 1696, nxpk= 20, iat=1275, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1288,1289,1290,
&end
#
# 179 LEU HN 178 ILE QD1 4.50 (# 1697:20 Unique 4.31, 4.73 A)
&rst
ixpk= 1697, nxpk= 20, iat=1294, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1288,1289,1290,
&end
#
# 134 ALA HN 178 ILE QD1 3.50 (# 1698:20 Unique 2.61, 3.55 A)
&rst
ixpk= 1698, nxpk= 20, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1288,1289,1290,
&end
#
# 0 AMB 20-2:1699 163 ILE QD1 3.50 (# 1699:20 Single Ambig)
&rst
ixpk= 1699, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1003,1149,
igr2=1016,1017,1018,
&end
#
# 164 LYS HN 163 ILE QD1 6.00 (# 1700:20 Unique 4.93, 5.69 A)
&rst
ixpk= 1700, nxpk= 20, iat=1022, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1016,1017,1018,
&end
#
# 160 GLN HE2- 163 ILE QD1 6.00 (# 1701:20 Unique 3.07, 4.46 A)
&rst
ixpk= 1701, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 968, 969,
igr2=1016,1017,1018,
&end
#
# 177 TYR HE 163 ILE QD1 6.00 (# 1702:20 Unique 2.38, 5.05 A)
&rst
ixpk= 1702, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1264,1269,
igr2=1016,1017,1018,
&end
#
# 136 LYS HN 135 ILE QD1 4.50 (# 1703:20 Unique 4.57, 4.93 A)
&rst
ixpk= 1703, nxpk= 20, iat= 572, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 566, 567, 568,
&end
#
# 139 GLU HN 135 ILE QD1 6.00 (# 1704:20 Unique 4.88, 5.88 A)
&rst
ixpk= 1704, nxpk= 20, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 566, 567, 568,
&end
#
# 135 ILE HN 135 ILE QD1 6.00 (# 1705:20 Unique 5.59, 5.93 A)
&rst
ixpk= 1705, nxpk= 20, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 566, 567, 568,
&end
#
# 183 ILE HN 183 ILE QD1 6.00 (# 1706:20 Unique 2.61, 4.86 A)
&rst
ixpk= 1706, nxpk= 20, iat=1350, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1363,1364,1365,
&end
#
# 166 TYR HD 183 ILE QD1 6.00 (# 1707:20 Unique 2.44, 4.57 A)
&rst
ixpk= 1707, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1069,1078,
igr2=1363,1364,1365,
&end
#
# 166 TYR HE 183 ILE QD1 6.00 (# 1708:20 Unique 3.89, 5.86 A)
&rst
ixpk= 1708, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1071,1076,
igr2=1363,1364,1365,
&end
#
# 184 GLU HN 183 ILE QD1 6.00 (# 1709:20 Unique 4.91, 5.84 A)
&rst
ixpk= 1709, nxpk= 20, iat=1369, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1363,1364,1365,
&end
#
# 125 ILE HN 125 ILE QD1 4.50 (# 1710:20 Unique 2.65, 3.51 A)
&rst
ixpk= 1710, nxpk= 20, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 394, 395, 396,
&end
#
# 166 TYR HD 125 ILE QD1 4.50 (# 1711:20 Unique 2.53, 5.75 A)
&rst
ixpk= 1711, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1069,1078,
igr2= 394, 395, 396,
&end
#
# 166 TYR HE 125 ILE QD1 6.00 (# 1712:20 Unique 2.50, 5.67 A)
&rst
ixpk= 1712, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1071,1076,
igr2= 394, 395, 396,
&end
#
# 0 AMB 20-2:1713 177 TYR HA 6.00 (# 1713:20 Single Ambig)
&rst
ixpk= 1713, nxpk= 20, iat= -1,1256, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr1=1178,1179, 950, 951, 952,1244,1245,
&end
#
# 0 AMB 20-2:1714 177 TYR HA 4.50 (# 1714:20 Single Ambig)
&rst
ixpk= 1714, nxpk= 20, iat= -1,1256, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1281,1282,1283,1117,1118,1119,1121,1122,1123,
&end
#
# 0 AMB 20-2:1715 177 TYR HA 6.00 (# 1715:20 Single Ambig)
&rst
ixpk= 1715, nxpk= 20, iat= -1,1256, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1279,1159,1160,
&end
#
# 135 ILE QG2 177 TYR HA 6.00 (# 1716:20 Unique 5.48, 6.23 A)
&rst
ixpk= 1716, nxpk= 20, iat= -1,1256, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 559, 560, 561,
&end
#
# 171 LYS HG- 171 LYS HA 6.00 (# 1717:20 Unique 2.64, 2.87 A)
&rst
ixpk= 1717, nxpk= 20, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1156,1157,
&end
#
# 171 LYS HG- 171 LYS HA 6.00 (# 1718:20 Unique 2.64, 2.87 A)
&rst
ixpk= 1718, nxpk= 20, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1156,1157,
&end
#
# 0 AMB 20-2:1719 171 LYS HA 6.00 (# 1719:20 Single Ambig)
&rst
ixpk= 1719, nxpk= 20, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1175,1176,1131,1132,
&end
#
# 0 AMB 20-2:1720 171 LYS HA 6.00 (# 1720:20 Single Ambig)
&rst
ixpk= 1720, nxpk= 20, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1281,1282,1283,1117,1118,1119,1121,1122,1123,
&end
#
# 171 LYS HB+ 171 LYS HA 6.00 (# 1721:20 Unique 2.42, 2.74 A)
&rst
ixpk= 1721, nxpk= 20, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1153,1154,
&end
#
# 171 LYS HB- 171 LYS HA 6.00 (# 1722:20 Unique 2.42, 2.74 A)
&rst
ixpk= 1722, nxpk= 20, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1153,1154,
&end
#
# 172 PRO HD- 171 LYS HA 6.00 (# 1723:20 Unique 2.11, 2.63 A)
&rst
ixpk= 1723, nxpk= 20, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1172,1173,
&end
#
# 0 AMB 20-2:1724 171 LYS HA 6.00 (# 1724:20 Single Ambig)
&rst
ixpk= 1724, nxpk= 20, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr1=1175,1176,1159,1160,1013,1014,1279,
&end
#
# 178 ILE HN 177 TYR HA 6.00 (# 1725:20 Unique 2.33, 2.37 A)
&rst
ixpk= 1725, nxpk= 20, iat=1275,1256, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 171 LYS HN 171 LYS HA 6.00 (# 1726:20 Unique 3.01, 3.02 A)
&rst
ixpk= 1726, nxpk= 20, iat=1149,1151, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 173 TYR HN 171 LYS HA 6.00 (# 1727:20 Unique 3.36, 3.58 A)
&rst
ixpk= 1727, nxpk= 20, iat=1185,1151, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 172 PRO HD+ 171 LYS HA 6.00 (# 1728:20 Unique 2.11, 2.63 A)
&rst
ixpk= 1728, nxpk= 20, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1172,1173,
&end
#
# 165 MET HN 163 ILE QG2 6.00 (# 1729:20 Unique 5.22, 6.06 A)
&rst
ixpk= 1729, nxpk= 20, iat=1044, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1009,1010,1011,
&end
#
# 162 LEU HN 163 ILE QG2 6.00 (# 1730:20 Unique 6.86, 7.22 A)
&rst
ixpk= 1730, nxpk= 20, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1009,1010,1011,
&end
#
# 170 LYS HN 163 ILE QG2 6.00 (# 1731:20 Unique 5.41, 6.45 A)
&rst
ixpk= 1731, nxpk= 20, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1009,1010,1011,
&end
#
# 122 GLU HN 125 ILE QG2 8.00 (# 1732:20 Unique 5.78, 7.52 A)
&rst
ixpk= 1732, nxpk= 20, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr2= 387, 388, 389,
&end
#
# 183 ILE HN 125 ILE QG2 8.00 (# 1733:20 Unique 3.65, 6.09 A)
&rst
ixpk= 1733, nxpk= 20, iat=1350, -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr2= 387, 388, 389,
&end
#
# 160 GLN HB+ 160 GLN HG+ 4.50 (# 1734:20 Unique 2.38, 2.61 A)
&rst
ixpk= 1734, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 960, 961,
igr2= 963, 964,
&end
#
# 0 AMB 20-2:1735 135 ILE HG1- 6.00 (# 1735:20 Single Ambig)
&rst
ixpk= 1735, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.31, r4= 9.81,
igr1= 576, 577,1244,1245, 950, 951, 952,
igr2= 563, 564,
&end
#
# 0 AMB 20-2:1736 178 ILE QD1 6.00 (# 1736:20 Single Ambig)
&rst
ixpk= 1736, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 521,1296,
igr2=1288,1289,1290,
&end
#
# 0 AMB 20-2:1737 113 PRO HG- 6.00 (# 1737:20 Single Ambig)
&rst
ixpk= 1737, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 221, 183,
igr2= 211, 212,
&end
#
# 131 HIS HA 130 ARG HA 6.00 (# 1738:20 Unique 4.46, 4.59 A)
&rst
ixpk= 1738, nxpk= 20, iat= 503, 479, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 112 ARG HA 113 PRO HD- 3.50 (# 1739:20 Unique 2.09, 2.61 A)
&rst
ixpk= 1739, nxpk= 20, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 208, 209,
&end
#
# 112 ARG HA 113 PRO HD+ 3.50 (# 1740:20 Unique 2.09, 2.61 A)
&rst
ixpk= 1740, nxpk= 20, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 208, 209,
&end
#
# 167 PRO HA 167 PRO HD- 6.00 (# 1741:20 Unique 3.57, 3.73 A)
&rst
ixpk= 1741, nxpk= 20, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1083,1084,
&end
#
# 150 LEU HA 151 GLU HG- 6.00 (# 1742:20 Unique 3.80, 4.90 A)
&rst
ixpk= 1742, nxpk= 20, iat= 795, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 819, 820,
&end
#
# 136 LYS HA 176 GLN HG+ 6.00 (# 1743:20 Unique 2.20, 3.05 A)
&rst
ixpk= 1743, nxpk= 20, iat= 574, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1244,1245,
&end
#
# 167 PRO HA 167 PRO HB- 3.50 (# 1744:20 Unique 2.34, 2.69 A)
&rst
ixpk= 1744, nxpk= 20, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1089,1090,
&end
#
# 167 PRO HA 167 PRO HB+ 3.50 (# 1745:20 Unique 2.34, 2.69 A)
&rst
ixpk= 1745, nxpk= 20, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1089,1090,
&end
#
# 131 HIS HA 130 ARG HB+ 6.00 (# 1746:20 Unique 4.77, 5.55 A)
&rst
ixpk= 1746, nxpk= 20, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 481, 482,
&end
#
# 188 HIS HA 188 HIS HB+ 2.80 (# 1747:20 Unique 2.33, 2.65 A)
&rst
ixpk= 1747, nxpk= 20, iat=1431, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1433,1434,
&end
#
# 188 HIS HA 188 HIS HB- 2.80 (# 1748:20 Unique 2.33, 2.65 A)
&rst
ixpk= 1748, nxpk= 20, iat=1431, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1433,1434,
&end
#
# 0 AMB 20-2:1749 0 AMB 20-1:1749 6.00 (# 1749:20 Double Ambig)
&rst
ixpk= 1749, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 555, 574,
igr2= 620, 621, 620, 621,
&end
#
# 135 ILE HA 135 ILE HG1- 6.00 (# 1750:20 Unique 2.36, 2.84 A)
&rst
ixpk= 1750, nxpk= 20, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 563, 564,
&end
#
# 112 ARG HA 113 PRO HG- 6.00 (# 1751:20 Unique 4.14, 4.58 A)
&rst
ixpk= 1751, nxpk= 20, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 211, 212,
&end
#
# 112 ARG HA 113 PRO HG+ 4.50 (# 1752:20 Unique 4.14, 4.58 A)
&rst
ixpk= 1752, nxpk= 20, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 211, 212,
&end
#
# 167 PRO HA 167 PRO HG+ 4.50 (# 1753:20 Unique 2.76, 3.36 A)
&rst
ixpk= 1753, nxpk= 20, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1086,1087,
&end
#
# 167 PRO HA 167 PRO HG- 4.50 (# 1754:20 Unique 2.76, 3.36 A)
&rst
ixpk= 1754, nxpk= 20, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1086,1087,
&end
#
# 112 ARG HA 112 ARG HG+ 4.50 (# 1755:20 Unique 2.51, 3.98 A)
&rst
ixpk= 1755, nxpk= 20, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 190, 191,
&end
#
# 150 LEU HA 150 LEU MDY 6.00 (# 1756:20 Unique 2.23, 4.39 A)
&rst
ixpk= 1756, nxpk= 20, iat= 795, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 802, 803, 804, 806, 807, 808,
&end
#
# 205 THY H3' 155 MET ME 6.00 (# 1757:20 Unique 4.20, 5.02 A)
&rst
ixpk= 1757, nxpk= 20, iat=1911, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 885, 886, 887,
&end
#
# 0 AMB 20-2:1758 163 ILE QG2 4.50 (# 1758:20 Single Ambig)
&rst
ixpk= 1758, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1092,1129,
igr2=1009,1010,1011,
&end
#
# 0 AMB 20-2:1759 135 ILE QG2 4.50 (# 1759:20 Single Ambig)
&rst
ixpk= 1759, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 555, 574,
igr2= 559, 560, 561,
&end
#
# 135 ILE HA 135 ILE QD1 4.50 (# 1760:20 Unique 4.08, 4.54 A)
&rst
ixpk= 1760, nxpk= 20, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 566, 567, 568,
&end
#
# 118 ALA HN 117 ALA MB 6.00 (# 1761:20 Unique 3.05, 3.91 A)
&rst
ixpk= 1761, nxpk= 20, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 265, 266, 267,
&end
#
# 0 AMB 20-2:1762 0 AMB 20-1:1762 6.00 (# 1762:20 Double Ambig)
&rst
ixpk= 1762, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
igr1= 241, 223, 224, 223, 224,
igr2= 243, 244, 243, 244, 243, 244,
&end
#
# 158 PHE HD 117 ALA MB 6.00 (# 1763:20 Unique 2.34, 5.14 A)
&rst
ixpk= 1763, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 927, 935,
igr2= 265, 266, 267,
&end
#
# 118 ALA HN 118 ALA HA 8.00 (# 1764:20 Unique 2.77, 2.81 A)
&rst
ixpk= 1764, nxpk= 20, iat= 271, 273, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 20-2:1765 0 AMB 20-1:1765 6.00 (# 1765:20 Double Ambig)
&rst
ixpk= 1765, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 346, 361,
igr2= 350, 351, 350, 351,
&end
#
# 0 AMB 20-2:1766 0 AMB 20-1:1766 6.00 (# 1766:20 Double Ambig)
&rst
ixpk= 1766, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 371, 594,
igr2= 350, 351, 620, 621,
&end
#
# 0 AMB 20-2:1767 0 AMB 20-1:1767 6.00 (# 1767:20 Double Ambig)
&rst
ixpk= 1767, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 371, 594,
igr2= 350, 351, 620, 621,
&end
#
# 124 ALA HN 124 ALA HA 6.00 (# 1768:20 Unique 2.78, 2.85 A)
&rst
ixpk= 1768, nxpk= 20, iat= 371, 373, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:1769 124 ALA HA 6.00 (# 1769:20 Single Ambig)
&rst
ixpk= 1769, nxpk= 20, iat= -1, 373, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 428, 429, 430, 307, 308,
&end
#
# 120 LEU MDX 124 ALA HA 8.00 (# 1770:20 Unique 5.39, 7.77 A)
&rst
ixpk= 1770, nxpk= 20, iat= -1, 373, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 312, 313, 314, 316, 317, 318,
&end
#
# 0 AMB 20-2:1771 0 AMB 20-1:1771 6.00 (# 1771:20 Double Ambig)
&rst
ixpk= 1771, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 633, 438, 596,
igr2= 635, 636, 440, 441, 440, 441,
&end
#
# 128 LEU HN 0 AMB 20-1:1772 8.00 (# 1772:20 Single Ambig)
&rst
ixpk= 1772, nxpk= 20, iat= 436, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr2= 440, 441, 440, 441,
&end
#
# 0 AMB 20-2:1773 0 AMB 20-1:1773 6.00 (# 1773:20 Double Ambig)
&rst
ixpk= 1773, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 477, 400,
igr2= 462, 463, 462, 463,
&end
#
# 0 AMB 20-2:1774 0 AMB 20-1:1774 4.50 (# 1774:20 Double Ambig)
&rst
ixpk= 1774, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 585, 586, 252, 253,
igr2= 579, 580, 246, 247,
&end
#
# 133 ALA HN 133 ALA HA 6.00 (# 1775:20 Unique 2.83, 2.93 A)
&rst
ixpk= 1775, nxpk= 20, iat= 533, 535, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 135 ILE HN 134 ALA HA 6.00 (# 1776:20 Unique 2.14, 2.25 A)
&rst
ixpk= 1776, nxpk= 20, iat= 553, 545, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 135 ILE HN 135 ILE HB 6.00 (# 1777:20 Unique 3.21, 3.30 A)
&rst
ixpk= 1777, nxpk= 20, iat= 553, 557, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 136 LYS HN 135 ILE HG1- 6.00 (# 1778:20 Unique 2.43, 2.69 A)
&rst
ixpk= 1778, nxpk= 20, iat= 572, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 563, 564,
&end
#
# 136 LYS HN 136 LYS HG+ 4.50 (# 1779:20 Unique 4.38, 4.52 A)
&rst
ixpk= 1779, nxpk= 20, iat= 572, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 579, 580,
&end
#
# 137 SER HN 137 SER HA 6.00 (# 1780:20 Unique 2.66, 2.74 A)
&rst
ixpk= 1780, nxpk= 20, iat= 594, 596, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 138 SER HN 138 SER HA 6.00 (# 1781:20 Unique 2.78, 2.82 A)
&rst
ixpk= 1781, nxpk= 20, iat= 605, 607, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 138 SER HN 0 AMB 20-1:1782 6.00 (# 1782:20 Single Ambig)
&rst
ixpk= 1782, nxpk= 20, iat= 605, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 609, 610, 609, 610,
&end
#
# 0 AMB 20-2:1783 141 GLN HA 6.00 (# 1783:20 Single Ambig)
&rst
ixpk= 1783, nxpk= 20, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 654, 655, 831,
&end
#
# 142 LYS HN 141 GLN HA 6.00 (# 1784:20 Unique 3.60, 3.62 A)
&rst
ixpk= 1784, nxpk= 20, iat= 667, 652, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 149 GLY HN 150 LEU MDY 6.00 (# 1785:20 Unique 4.19, 6.65 A)
&rst
ixpk= 1785, nxpk= 20, iat= 786, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 802, 803, 804, 806, 807, 808,
&end
#
# 142 LYS HN 141 GLN HG- 6.00 (# 1786:20 Unique 2.74, 3.72 A)
&rst
ixpk= 1786, nxpk= 20, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 657, 658,
&end
#
# 142 LYS HN 141 GLN HG+ 6.00 (# 1787:20 Unique 2.74, 3.72 A)
&rst
ixpk= 1787, nxpk= 20, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 657, 658,
&end
#
# 152 ILE HN 141 GLN HG+ 6.00 (# 1788:20 Unique 2.21, 4.64 A)
&rst
ixpk= 1788, nxpk= 20, iat= 827, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 657, 658,
&end
#
# 131 HIS HN 130 ARG HG- 6.00 (# 1789:20 Unique 2.62, 3.40 A)
&rst
ixpk= 1789, nxpk= 20, iat= 501, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 484, 485,
&end
#
# 0 AMB 20-2:1790 0 AMB 20-1:1790 6.00 (# 1790:20 Double Ambig)
&rst
ixpk= 1790, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 303, 704,
igr2= 283, 669,
&end
#
# 0 AMB 20-2:1791 0 AMB 20-1:1791 4.50 (# 1791:20 Double Ambig)
&rst
ixpk= 1791, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 738, 760,
igr2= 691, 725,
&end
#
# 144 ILE HN 144 ILE HA 6.00 (# 1792:20 Unique 2.86, 2.89 A)
&rst
ixpk= 1792, nxpk= 20, iat= 704, 706, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 172 PRO HD- 178 ILE QG2 4.50 (# 1793:20 Unique 2.21, 3.64 A)
&rst
ixpk= 1793, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1172,1173,
igr2=1281,1282,1283,
&end
#
# 148 SER HA 144 ILE QG2 6.00 (# 1794:20 Unique 5.33, 6.27 A)
&rst
ixpk= 1794, nxpk= 20, iat= 777, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 710, 711, 712,
&end
#
# 149 GLY HN 148 SER HA 6.00 (# 1795:20 Unique 3.28, 3.51 A)
&rst
ixpk= 1795, nxpk= 20, iat= 786, 777, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 150 LEU HN 149 GLY HA+ 6.00 (# 1796:20 Unique 2.84, 3.34 A)
&rst
ixpk= 1796, nxpk= 20, iat= 793, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 788, 789,
&end
#
# 149 GLY HN 149 GLY HA+ 6.00 (# 1797:20 Unique 2.25, 2.61 A)
&rst
ixpk= 1797, nxpk= 20, iat= 786, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 788, 789,
&end
#
# 150 LEU HA 150 LEU HB+ 6.00 (# 1798:20 Unique 2.27, 2.58 A)
&rst
ixpk= 1798, nxpk= 20, iat= 795, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 797, 798,
&end
#
# 150 LEU HA 150 LEU HB- 6.00 (# 1799:20 Unique 2.27, 2.58 A)
&rst
ixpk= 1799, nxpk= 20, iat= 795, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 797, 798,
&end
#
# 150 LEU HN 150 LEU HB- 8.00 (# 1800:20 Unique 2.19, 3.36 A)
&rst
ixpk= 1800, nxpk= 20, iat= 793, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 797, 798,
&end
#
# 150 LEU HA 150 LEU HG 6.00 (# 1801:20 Unique 2.62, 3.42 A)
&rst
ixpk= 1801, nxpk= 20, iat= 795, 800, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 149 GLY HN 150 LEU HG 8.00 (# 1802:20 Unique 4.12, 5.11 A)
&rst
ixpk= 1802, nxpk= 20, iat= 786, 800, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 122 GLU HN 162 LEU MDX 6.00 (# 1803:20 Unique 5.19, 7.59 A)
&rst
ixpk= 1803, nxpk= 20, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 993, 994, 995, 997, 998, 999,
&end
#
# 0 AMB 20-2:1804 162 LEU MDX 6.00 (# 1804:20 Single Ambig)
&rst
ixpk= 1804, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1003,1111,
igr2= 993, 994, 995, 997, 998, 999,
&end
#
# 166 TYR HE 162 LEU MDX 3.50 (# 1805:20 Unique 2.40, 6.76 A)
&rst
ixpk= 1805, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1071,1076,
igr2= 993, 994, 995, 997, 998, 999,
&end
#
# 0 AMB 20-2:1806 142 LYS HA 6.00 (# 1806:20 Single Ambig)
&rst
ixpk= 1806, nxpk= 20, iat= -1, 669, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 650, 827,
&end
#
# 152 ILE HG1+ 152 ILE HB 6.00 (# 1807:20 Unique 2.28, 2.44 A)
&rst
ixpk= 1807, nxpk= 20, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 837, 838,
&end
#
# 152 ILE HN 152 ILE HG1+ 6.00 (# 1808:20 Unique 2.15, 3.37 A)
&rst
ixpk= 1808, nxpk= 20, iat= 827, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 837, 838,
&end
#
# 169 VAL HA 178 ILE HG1- 6.00 (# 1809:20 Unique 5.12, 6.19 A)
&rst
ixpk= 1809, nxpk= 20, iat=1113, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1285,1286,
&end
#
# 0 AMB 20-2:1810 152 ILE QD1 6.00 (# 1810:20 Single Ambig)
&rst
ixpk= 1810, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 730, 731, 881, 882,
igr2= 840, 841, 842,
&end
#
# 152 ILE HN 152 ILE QD1 6.00 (# 1811:20 Unique 3.17, 4.58 A)
&rst
ixpk= 1811, nxpk= 20, iat= 827, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 840, 841, 842,
&end
#
# 154 ASN HN 153 PRO HA 6.00 (# 1812:20 Unique 2.46, 2.63 A)
&rst
ixpk= 1812, nxpk= 20, iat= 860, 856, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:1813 0 AMB 20-1:1813 6.00 (# 1813:20 Double Ambig)
&rst
ixpk= 1813, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 923, 924, 252, 253,
igr2= 853, 854, 853, 854,
&end
#
# 154 ASN HN 153 PRO HB+ 6.00 (# 1814:20 Unique 2.27, 2.72 A)
&rst
ixpk= 1814, nxpk= 20, iat= 860, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 853, 854,
&end
#
# 112 ARG HN 113 PRO HD+ 6.00 (# 1815:20 Unique 4.64, 4.95 A)
&rst
ixpk= 1815, nxpk= 20, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 208, 209,
&end
#
# 0 AMB 20-2:1816 0 AMB 20-1:1816 6.00 (# 1816:20 Double Ambig)
&rst
ixpk= 1816, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 303, 183, 221,
igr2= 847, 848, 208, 209,
&end
#
# 157 THR HN 156 THR HA 6.00 (# 1817:20 Unique 3.55, 3.58 A)
&rst
ixpk= 1817, nxpk= 20, iat= 905, 893, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 157 THR HN 156 THR HB 8.00 (# 1818:20 Unique 2.58, 2.78 A)
&rst
ixpk= 1818, nxpk= 20, iat= 905, 895, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 158 PHE HD 158 PHE HB- 6.00 (# 1819:20 Unique 2.27, 3.08 A)
&rst
ixpk= 1819, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 927, 935,
igr2= 923, 924,
&end
#
# 158 PHE HB- 158 PHE HA 6.00 (# 1820:20 Unique 2.20, 2.64 A)
&rst
ixpk= 1820, nxpk= 20, iat= -1, 921, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 923, 924,
&end
#
# 158 PHE HB+ 158 PHE HA 6.00 (# 1821:20 Unique 2.20, 2.64 A)
&rst
ixpk= 1821, nxpk= 20, iat= -1, 921, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 923, 924,
&end
#
# 159 MET HN 159 MET HA 6.00 (# 1822:20 Unique 2.84, 2.86 A)
&rst
ixpk= 1822, nxpk= 20, iat= 939, 941, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 162 LEU HA 162 LEU HB- 6.00 (# 1823:20 Unique 2.41, 2.82 A)
&rst
ixpk= 1823, nxpk= 20, iat= 986, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 988, 989,
&end
#
# 162 LEU HA 162 LEU HB+ 6.00 (# 1824:20 Unique 2.41, 2.82 A)
&rst
ixpk= 1824, nxpk= 20, iat= 986, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 988, 989,
&end
#
# 0 AMB 20-2:1825 162 LEU HB- 6.00 (# 1825:20 Single Ambig)
&rst
ixpk= 1825, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.31, r4= 9.81,
igr1=1117,1118,1119,1121,1122,1123, 991,
igr2= 988, 989,
&end
#
# 159 MET HN 162 LEU MDY 6.00 (# 1826:20 Unique 4.45, 6.85 A)
&rst
ixpk= 1826, nxpk= 20, iat= 939, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 993, 994, 995, 997, 998, 999,
&end
#
# 152 ILE HN 120 LEU MDY 6.00 (# 1827:20 Unique 3.78, 6.14 A)
&rst
ixpk= 1827, nxpk= 20, iat= 827, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 312, 313, 314, 316, 317, 318,
&end
#
# 0 AMB 20-2:1828 0 AMB 20-1:1828 6.00 (# 1828:20 Double Ambig)
&rst
ixpk= 1828, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1003,1149,
igr2=1013,1014,1159,1160,
&end
#
# 0 AMB 20-2:1829 0 AMB 20-1:1829 8.00 (# 1829:20 Double Ambig)
&rst
ixpk= 1829, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1=1003,1111,
igr2=1013,1014,1013,1014,
&end
#
# 0 AMB 20-2:1830 163 ILE QD1 6.00 (# 1830:20 Single Ambig)
&rst
ixpk= 1830, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 973,1237,
igr2=1016,1017,1018,
&end
#
# 0 AMB 20-2:1831 163 ILE QD1 6.00 (# 1831:20 Single Ambig)
&rst
ixpk= 1831, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 941,2338,
igr2=1016,1017,1018,
&end
#
# 0 AMB 20-2:1832 163 ILE QG2 6.00 (# 1832:20 Single Ambig)
&rst
ixpk= 1832, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1035,1036,1035,1036,1140,1141,1140,1141,
igr2=1009,1010,1011,
&end
#
# 0 AMB 20-2:1833 163 ILE QG2 6.00 (# 1833:20 Single Ambig)
&rst
ixpk= 1833, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 975, 941,
igr2=1009,1010,1011,
&end
#
# 0 AMB 20-2:1834 0 AMB 20-1:1834 6.00 (# 1834:20 Double Ambig)
&rst
ixpk= 1834, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 519,1061,
igr2= 523, 524,1065,1066,
&end
#
# 0 AMB 20-2:1835 0 AMB 20-1:1835 6.00 (# 1835:20 Double Ambig)
&rst
ixpk= 1835, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 519,1061,
igr2= 523, 524,1065,1066,
&end
#
# 0 AMB 20-2:1836 166 TYR HB- 6.00 (# 1836:20 Single Ambig)
&rst
ixpk= 1836, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1048,1049,1013,1014,
igr2=1065,1066,
&end
#
# 0 AMB 20-2:1837 0 AMB 20-1:1837 6.00 (# 1837:20 Double Ambig)
&rst
ixpk= 1837, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1048,1049,1013,1014,
igr2=1065,1066,1065,1066,
&end
#
# 166 TYR HA 167 PRO HB- 6.00 (# 1838:20 Unique 4.83, 5.32 A)
&rst
ixpk= 1838, nxpk= 20, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1089,1090,
&end
#
# 168 GLU HN 167 PRO HB- 6.00 (# 1839:20 Unique 3.15, 3.82 A)
&rst
ixpk= 1839, nxpk= 20, iat=1096, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1089,1090,
&end
#
# 168 GLU HN 167 PRO HB+ 8.00 (# 1840:20 Unique 3.15, 3.82 A)
&rst
ixpk= 1840, nxpk= 20, iat=1096, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1089,1090,
&end
#
# 164 LYS HN 160 GLN HA 6.00 (# 1841:20 Unique 3.65, 3.78 A)
&rst
ixpk= 1841, nxpk= 20, iat=1022, 958, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 168 GLU HN 168 GLU HB- 6.00 (# 1842:20 Unique 2.34, 3.04 A)
&rst
ixpk= 1842, nxpk= 20, iat=1096, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1100,1101,
&end
#
# 168 GLU HN 168 GLU HG- 6.00 (# 1843:20 Unique 1.99, 3.31 A)
&rst
ixpk= 1843, nxpk= 20, iat=1096, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1103,1104,
&end
#
# 179 LEU HA 169 VAL HA 6.00 (# 1844:20 Unique 2.17, 2.30 A)
&rst
ixpk= 1844, nxpk= 20, iat=1296,1113, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:1845 0 AMB 20-1:1845 6.00 (# 1845:20 Double Ambig)
&rst
ixpk= 1845, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1140,1141,1140,1141,
igr2=1131,1132,1131,1132,
&end
#
# 170 LYS HN 170 LYS HG+ 6.00 (# 1846:20 Unique 3.13, 3.81 A)
&rst
ixpk= 1846, nxpk= 20, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1134,1135,
&end
#
# 171 LYS HE+ 171 LYS HG+ 6.00 (# 1847:20 Unique 2.39, 3.29 A)
&rst
ixpk= 1847, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1162,1163,
igr2=1156,1157,
&end
#
# 171 LYS HE+ 171 LYS HG- 6.00 (# 1848:20 Unique 2.39, 3.29 A)
&rst
ixpk= 1848, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1162,1163,
igr2=1156,1157,
&end
#
# 171 LYS HE- 171 LYS HG+ 6.00 (# 1849:20 Unique 2.39, 3.29 A)
&rst
ixpk= 1849, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1162,1163,
igr2=1156,1157,
&end
#
# 171 LYS HN 171 LYS HG- 6.00 (# 1850:20 Unique 3.24, 4.53 A)
&rst
ixpk= 1850, nxpk= 20, iat=1149, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1156,1157,
&end
#
# 0 AMB 20-2:1851 171 LYS HA 8.00 (# 1851:20 Single Ambig)
&rst
ixpk= 1851, nxpk= 20, iat= -1,1151, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1178,1179,1244,1245,
&end
#
# 172 PRO HD- 172 PRO HB+ 6.00 (# 1852:20 Unique 2.73, 3.65 A)
&rst
ixpk= 1852, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1172,1173,
igr2=1178,1179,
&end
#
# 172 PRO HD- 172 PRO HB- 6.00 (# 1853:20 Unique 2.73, 3.65 A)
&rst
ixpk= 1853, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1172,1173,
igr2=1178,1179,
&end
#
# 178 ILE QG2 172 PRO HG+ 6.00 (# 1854:20 Unique 2.71, 4.16 A)
&rst
ixpk= 1854, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1281,1282,1283,
igr2=1175,1176,
&end
#
# 0 AMB 20-2:1855 0 AMB 20-1:1855 6.00 (# 1855:20 Double Ambig)
&rst
ixpk= 1855, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
igr1= 547, 548, 549,1153,1154,
igr2=1172,1173,1172,1173,
&end
#
# 172 PRO HA 172 PRO HD- 6.00 (# 1856:20 Unique 3.23, 3.67 A)
&rst
ixpk= 1856, nxpk= 20, iat=1181, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1172,1173,
&end
#
# 171 LYS HA 172 PRO HD- 6.00 (# 1857:20 Unique 2.11, 2.63 A)
&rst
ixpk= 1857, nxpk= 20, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1172,1173,
&end
#
# 173 TYR HN 172 PRO HD+ 6.00 (# 1858:20 Unique 3.13, 3.81 A)
&rst
ixpk= 1858, nxpk= 20, iat=1185, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1172,1173,
&end
#
# 178 ILE HN 172 PRO HD- 6.00 (# 1859:20 Unique 3.19, 3.55 A)
&rst
ixpk= 1859, nxpk= 20, iat=1275, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1172,1173,
&end
#
# 178 ILE HN 172 PRO HD+ 8.00 (# 1860:20 Unique 3.19, 3.55 A)
&rst
ixpk= 1860, nxpk= 20, iat=1275, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1172,1173,
&end
#
# 176 GLN HE2+ 173 TYR HB+ 6.00 (# 1861:20 Unique 2.80, 4.88 A)
&rst
ixpk= 1861, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1249,1250,
igr2=1189,1190,
&end
#
# 176 GLN HE2- 173 TYR HB+ 6.00 (# 1862:20 Unique 2.80, 4.88 A)
&rst
ixpk= 1862, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1249,1250,
igr2=1189,1190,
&end
#
# 0 AMB 20-2:1863 0 AMB 20-1:1863 6.00 (# 1863:20 Double Ambig)
&rst
ixpk= 1863, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1244,1245,1178,1179,
igr2=1189,1190,1189,1190,
&end
#
# 0 AMB 20-2:1864 0 AMB 20-1:1864 6.00 (# 1864:20 Double Ambig)
&rst
ixpk= 1864, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
igr1= 547, 548, 549,1153,1154,
igr2=1189,1190,1189,1190,
&end
#
# 174 ARG HB- 173 TYR HB+ 6.00 (# 1865:20 Unique 3.92, 6.10 A)
&rst
ixpk= 1865, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1210,1211,
igr2=1189,1190,
&end
#
# 174 ARG HN 174 ARG HG- 6.00 (# 1866:20 Unique 2.05, 3.47 A)
&rst
ixpk= 1866, nxpk= 20, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1213,1214,
&end
#
# 174 ARG HN 174 ARG HG+ 6.00 (# 1867:20 Unique 2.05, 3.47 A)
&rst
ixpk= 1867, nxpk= 20, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1213,1214,
&end
#
# 174 ARG HD- 174 ARG HG+ 6.00 (# 1868:20 Unique 2.29, 2.71 A)
&rst
ixpk= 1868, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1216,1217,
igr2=1213,1214,
&end
#
# 174 ARG HD+ 174 ARG HB+ 6.00 (# 1869:20 Unique 2.25, 2.96 A)
&rst
ixpk= 1869, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1216,1217,
igr2=1210,1211,
&end
#
# 175 GLY HN 175 GLY HA+ 6.00 (# 1870:20 Unique 2.28, 2.60 A)
&rst
ixpk= 1870, nxpk= 20, iat=1230, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1232,1233,
&end
#
# 175 GLY HN 175 GLY HA- 6.00 (# 1871:20 Unique 2.28, 2.60 A)
&rst
ixpk= 1871, nxpk= 20, iat=1230, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1232,1233,
&end
#
# 176 GLN HB+ 176 GLN HA 6.00 (# 1872:20 Unique 2.40, 2.74 A)
&rst
ixpk= 1872, nxpk= 20, iat= -1,1239, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1241,1242,
&end
#
# 0 AMB 20-2:1873 176 GLN HA 6.00 (# 1873:20 Single Ambig)
&rst
ixpk= 1873, nxpk= 20, iat= -1,1239, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1241,1242, 582, 583,
&end
#
# 0 AMB 20-2:1874 176 GLN HA 6.00 (# 1874:20 Single Ambig)
&rst
ixpk= 1874, nxpk= 20, iat= -1,1239, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1244,1245, 576, 577,
&end
#
# 176 GLN HG+ 176 GLN HA 6.00 (# 1875:20 Unique 2.36, 2.83 A)
&rst
ixpk= 1875, nxpk= 20, iat= -1,1239, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1244,1245,
&end
#
# 0 AMB 20-2:1876 176 GLN HA 6.00 (# 1876:20 Single Ambig)
&rst
ixpk= 1876, nxpk= 20, iat= -1,1239, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 547, 548, 549,1153,1154,
&end
#
# 136 LYS HG+ 176 GLN HA 6.00 (# 1877:20 Unique 3.88, 4.67 A)
&rst
ixpk= 1877, nxpk= 20, iat= -1,1239, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 579, 580,
&end
#
# 135 ILE QG2 176 GLN HA 6.00 (# 1878:20 Unique 4.86, 5.86 A)
&rst
ixpk= 1878, nxpk= 20, iat= -1,1239, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 559, 560, 561,
&end
#
# 176 GLN HN 176 GLN HA 6.00 (# 1879:20 Unique 2.97, 2.98 A)
&rst
ixpk= 1879, nxpk= 20, iat=1237,1239, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 177 TYR HN 176 GLN HA 6.00 (# 1880:20 Unique 2.05, 2.09 A)
&rst
ixpk= 1880, nxpk= 20, iat=1254,1239, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 137 SER HN 176 GLN HA 6.00 (# 1881:20 Unique 3.02, 3.28 A)
&rst
ixpk= 1881, nxpk= 20, iat= 594,1239, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:1882 176 GLN HA 6.00 (# 1882:20 Single Ambig)
&rst
ixpk= 1882, nxpk= 20, iat= -1,1239, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 553,1230,
&end
#
# 176 GLN HA 176 GLN HB+ 6.00 (# 1883:20 Unique 2.40, 2.74 A)
&rst
ixpk= 1883, nxpk= 20, iat=1239, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1241,1242,
&end
#
# 176 GLN HN 176 GLN HB+ 6.00 (# 1884:20 Unique 2.52, 3.30 A)
&rst
ixpk= 1884, nxpk= 20, iat=1237, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1241,1242,
&end
#
# 177 TYR HN 176 GLN HB+ 6.00 (# 1885:20 Unique 3.09, 3.73 A)
&rst
ixpk= 1885, nxpk= 20, iat=1254, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1241,1242,
&end
#
# 177 TYR HN 0 AMB 20-1:1886 6.00 (# 1886:20 Single Ambig)
&rst
ixpk= 1886, nxpk= 20, iat=1254, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1244,1245, 576, 577,
&end
#
# 177 TYR HN 176 GLN HG+ 8.00 (# 1887:20 Unique 4.10, 4.71 A)
&rst
ixpk= 1887, nxpk= 20, iat=1254, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1244,1245,
&end
#
# 176 GLN HN 176 GLN HG+ 6.00 (# 1888:20 Unique 2.88, 3.66 A)
&rst
ixpk= 1888, nxpk= 20, iat=1237, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1244,1245,
&end
#
# 176 GLN HN 176 GLN HG- 6.00 (# 1889:20 Unique 2.88, 3.66 A)
&rst
ixpk= 1889, nxpk= 20, iat=1237, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1244,1245,
&end
#
# 177 TYR HB+ 177 TYR HA 6.00 (# 1890:20 Unique 2.44, 2.75 A)
&rst
ixpk= 1890, nxpk= 20, iat= -1,1256, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1258,1259,
&end
#
# 0 AMB 20-2:1891 177 TYR HA 6.00 (# 1891:20 Single Ambig)
&rst
ixpk= 1891, nxpk= 20, iat= -1,1256, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr1=1153,1154, 547, 548, 549,1013,1014,
&end
#
# 0 AMB 20-2:1892 177 TYR HA 6.00 (# 1892:20 Single Ambig)
&rst
ixpk= 1892, nxpk= 20, iat= -1,1256, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1175,1176,1131,1132,
&end
#
# 178 ILE HN 178 ILE HB 6.00 (# 1893:20 Unique 3.23, 3.31 A)
&rst
ixpk= 1893, nxpk= 20, iat=1275,1279, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 178 ILE QD1 178 ILE HB 4.50 (# 1894:20 Unique 2.43, 3.13 A)
&rst
ixpk= 1894, nxpk= 20, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1288,1289,1290,
&end
#
# 184 GLU HN 183 ILE HG1+ 6.00 (# 1895:20 Unique 3.74, 5.02 A)
&rst
ixpk= 1895, nxpk= 20, iat=1369, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1360,1361,
&end
#
# 0 AMB 20-2:1896 0 AMB 20-1:1896 6.00 (# 1896:20 Double Ambig)
&rst
ixpk= 1896, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1386,1337,
igr2=1360,1361,1360,1361,
&end
#
# 180 GLU HN 183 ILE QD1 6.00 (# 1897:20 Unique 4.84, 6.58 A)
&rst
ixpk= 1897, nxpk= 20, iat=1313, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1363,1364,1365,
&end
#
# 0 AMB 20-2:1898 185 SER HA 3.50 (# 1898:20 Single Ambig)
&rst
ixpk= 1898, nxpk= 20, iat= -1,1386, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1395,1429,
&end
#
# 159 MET HN 156 THR HA 6.00 (# 1899:20 Unique 3.60, 3.99 A)
&rst
ixpk= 1899, nxpk= 20, iat= 939, 893, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 145 GLU HG+ 151 GLU HA 6.00 (# 1900:20 Unique 2.14, 4.24 A)
&rst
ixpk= 1900, nxpk= 20, iat= -1, 814, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 730, 731,
&end
#
# 133 ALA HA 132 ASN HB+ 6.00 (# 1901:20 Unique 4.08, 5.10 A)
&rst
ixpk= 1901, nxpk= 20, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 523, 524,
&end
#
# 0 AMB 20-2:1902 0 AMB 20-1:1902 6.00 (# 1902:20 Double Ambig)
&rst
ixpk= 1902, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1=1100,1101, 988, 989,1048,1049,
igr2=1065,1066,1065,1066,1065,1066,
&end
#
# 166 TYR HE 165 MET HG- 6.00 (# 1903:20 Unique 2.87, 5.70 A)
&rst
ixpk= 1903, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1071,1076,
igr2=1051,1052,
&end
#
# 0 AMB 20-2:1904 150 LEU MDX 6.00 (# 1904:20 Single Ambig)
&rst
ixpk= 1904, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 779, 780, 779, 780, 847, 848,
igr2= 802, 803, 804, 806, 807, 808,
&end
#
# 178 ILE QD1 134 ALA MB 3.50 (# 1905:20 Unique 2.20, 4.46 A)
&rst
ixpk= 1905, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1288,1289,1290,
igr2= 547, 548, 549,
&end
#
# 186 LEU MDY 186 LEU HA 4.50 (# 1906:20 Unique 2.20, 4.11 A)
&rst
ixpk= 1906, nxpk= 20, iat= -1,1397, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1404,1405,1406,1408,1409,1410,
&end
#
# 134 ALA HN 133 ALA HA 3.50 (# 1907:20 Unique 2.36, 2.45 A)
&rst
ixpk= 1907, nxpk= 20, iat= 543, 535, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 130 ARG HG+ 127 THR HA 4.50 (# 1908:20 Unique 2.17, 3.37 A)
&rst
ixpk= 1908, nxpk= 20, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 484, 485,
&end
#
# 143 GLU HB+ 127 THR MG2 4.50 (# 1909:20 Unique 2.20, 3.08 A)
&rst
ixpk= 1909, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 693, 694,
igr2= 428, 429, 430,
&end
#
# 117 ALA HN 116 LYS HA 6.00 (# 1910:20 Unique 3.35, 3.46 A)
&rst
ixpk= 1910, nxpk= 20, iat= 261, 241, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:1911 126 LYS HA 4.50 (# 1911:20 Single Ambig)
&rst
ixpk= 1911, nxpk= 20, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 465, 466, 462, 463, 410, 411,
&end
#
# 125 ILE QD1 0 AMB 20-1:1912 6.00 (# 1912:20 Single Ambig)
&rst
ixpk= 1912, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 394, 395, 396,
igr2= 465, 466, 465, 466,
&end
#
# 0 AMB 20-2:1913 0 AMB 20-1:1913 4.50 (# 1913:20 Double Ambig)
&rst
ixpk= 1913, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1098, 977, 978, 958,2397,
igr2=1140,1141,1140,1141,1035,1036,1035,1036,1035,1036,
1189,1190,
&end
#
# 0 AMB 20-2:1914 134 ALA MB 4.50 (# 1914:20 Single Ambig)
&rst
ixpk= 1914, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1279,1241,1242,
igr2= 547, 548, 549,
&end
#
# 0 AMB 20-2:1915 126 LYS HA 6.00 (# 1915:20 Single Ambig)
&rst
ixpk= 1915, nxpk= 20, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 400, 477,
&end
#
# 126 LYS HN 126 LYS HG- 6.00 (# 1916:20 Unique 2.24, 3.37 A)
&rst
ixpk= 1916, nxpk= 20, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 407, 408,
&end
#
# 166 TYR HN 165 MET ME 6.00 (# 1917:20 Unique 4.80, 5.82 A)
&rst
ixpk= 1917, nxpk= 20, iat=1061, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1055,1056,1057,
&end
#
# 177 TYR HE 159 MET ME 6.00 (# 1918:20 Unique 3.44, 6.43 A)
&rst
ixpk= 1918, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1264,1269,
igr2= 950, 951, 952,
&end
#
# 177 TYR HD 159 MET ME 6.00 (# 1919:20 Unique 3.01, 5.85 A)
&rst
ixpk= 1919, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1262,1271,
igr2= 950, 951, 952,
&end
#
# 150 LEU HA 150 LEU MDX 3.50 (# 1920:20 Unique 2.23, 4.39 A)
&rst
ixpk= 1920, nxpk= 20, iat= 795, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 802, 803, 804, 806, 807, 808,
&end
#
# 110 THR MG2 111 ALA HN 4.50 (# 0:10 Unique 2.90, 4.12 A)
&rst
ixpk= 0, nxpk= 10, iat= -1, 173, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 165, 166, 167,
&end
#
# 0 AMB 10-2:1 111 ALA HN 2.80 (# 1:10 Single Ambig)
&rst
ixpk= 1, nxpk= 10, iat= -1, 173, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 161,2274, 175,
&end
#
# 0 AMB 10-2:2 111 ALA HN 4.50 (# 2:10 Single Ambig)
&rst
ixpk= 2, nxpk= 10, iat= -1, 173, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2242, 163,
&end
#
# 111 ALA MB 111 ALA HN 2.80 (# 3:10 Unique 2.52, 3.46 A)
&rst
ixpk= 3, nxpk= 10, iat= -1, 173, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 177, 178, 179,
&end
#
# 0 AMB 10-2:4 136 LYS HN 3.50 (# 4:10 Single Ambig)
&rst
ixpk= 4, nxpk= 10, iat= -1, 572, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 576, 577,1244,1245,
&end
#
# 136 LYS HB- 136 LYS HN 3.50 (# 5:10 Unique 2.34, 2.61 A)
&rst
ixpk= 5, nxpk= 10, iat= -1, 572, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 576, 577,
&end
#
# 136 LYS HG+ 136 LYS HN 4.50 (# 6:10 Unique 4.38, 4.52 A)
&rst
ixpk= 6, nxpk= 10, iat= -1, 572, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 579, 580,
&end
#
# 135 ILE HG1+ 136 LYS HN 4.50 (# 7:10 Unique 2.43, 2.69 A)
&rst
ixpk= 7, nxpk= 10, iat= -1, 572, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 563, 564,
&end
#
# 0 AMB 10-2:8 136 LYS HN 4.50 (# 8:10 Single Ambig)
&rst
ixpk= 8, nxpk= 10, iat= -1, 572, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 557, 579, 580,
&end
#
# 135 ILE HG1- 136 LYS HN 4.50 (# 9:10 Unique 2.43, 2.69 A)
&rst
ixpk= 9, nxpk= 10, iat= -1, 572, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 563, 564,
&end
#
# 135 ILE QG2 136 LYS HN 4.50 (# 10:10 Unique 4.16, 4.86 A)
&rst
ixpk= 10, nxpk= 10, iat= -1, 572, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 559, 560, 561,
&end
#
# 135 ILE HA 136 LYS HN 2.80 (# 11:10 Unique 2.19, 2.26 A)
&rst
ixpk= 11, nxpk= 10, iat= 555, 572, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 139 GLU HB+ 136 LYS HN 4.50 (# 12:10 Unique 2.84, 3.83 A)
&rst
ixpk= 12, nxpk= 10, iat= -1, 572, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 620, 621,
&end
#
# 139 GLU HB- 136 LYS HN 4.50 (# 13:10 Unique 2.84, 3.83 A)
&rst
ixpk= 13, nxpk= 10, iat= -1, 572, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 620, 621,
&end
#
# 135 ILE QD1 136 LYS HN 4.50 (# 14:10 Unique 4.57, 4.93 A)
&rst
ixpk= 14, nxpk= 10, iat= -1, 572, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 566, 567, 568,
&end
#
# 0 AMB 10-2:15 184 GLU HN 6.00 (# 15:10 Single Ambig)
&rst
ixpk= 15, nxpk= 10, iat= -1,1369, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1337,1386,
&end
#
# 182 GLU HB+ 184 GLU HN 6.00 (# 16:10 Unique 2.38, 3.70 A)
&rst
ixpk= 16, nxpk= 10, iat= -1,1369, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1339,1340,
&end
#
# 183 ILE HG1+ 184 GLU HN 6.00 (# 17:10 Unique 3.74, 5.02 A)
&rst
ixpk= 17, nxpk= 10, iat= -1,1369, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1360,1361,
&end
#
# 184 GLU HA 184 GLU HN 3.50 (# 18:10 Unique 2.25, 2.85 A)
&rst
ixpk= 18, nxpk= 10, iat=1371,1369, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 183 ILE HA 184 GLU HN 3.50 (# 19:10 Unique 2.87, 3.42 A)
&rst
ixpk= 19, nxpk= 10, iat=1352,1369, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:20 184 GLU HN 4.50 (# 20:10 Single Ambig)
&rst
ixpk= 20, nxpk= 10, iat= -1,1369, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1376,1377,1376,1377,1342,1343,
&end
#
# 184 GLU HB+ 184 GLU HN 3.50 (# 21:10 Unique 2.33, 3.11 A)
&rst
ixpk= 21, nxpk= 10, iat= -1,1369, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1373,1374,
&end
#
# 0 AMB 10-2:22 184 GLU HN 3.50 (# 22:10 Single Ambig)
&rst
ixpk= 22, nxpk= 10, iat= -1,1369, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1373,1374,1339,1340,
&end
#
# 183 ILE HB 184 GLU HN 4.50 (# 23:10 Unique 3.09, 4.02 A)
&rst
ixpk= 23, nxpk= 10, iat=1354,1369, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:24 184 GLU HN 4.50 (# 24:10 Single Ambig)
&rst
ixpk= 24, nxpk= 10, iat= -1,1369, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1360,1361, 462, 463,
&end
#
# 183 ILE QG2 184 GLU HN 4.50 (# 25:10 Unique 2.48, 3.66 A)
&rst
ixpk= 25, nxpk= 10, iat= -1,1369, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1356,1357,1358,
&end
#
# 0 AMB 10-2:26 184 GLU HN 6.00 (# 26:10 Single Ambig)
&rst
ixpk= 26, nxpk= 10, iat= -1,1369, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 387, 388, 389,1363,1364,1365,
&end
#
# 185 SER HB+ 184 GLU HN 8.00 (# 27:10 Unique 3.65, 5.36 A)
&rst
ixpk= 27, nxpk= 10, iat= -1,1369, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1388,1389,
&end
#
# 189 HIS HA 189 HIS HN 3.50 (# 28:10 Unique 2.26, 2.84 A)
&rst
ixpk= 28, nxpk= 10, iat=1449,1447, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 189 HIS HB+ 189 HIS HN 4.50 (# 29:10 Unique 2.24, 3.00 A)
&rst
ixpk= 29, nxpk= 10, iat= -1,1447, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1451,1452,
&end
#
# 0 AMB 10-2:30 0 AMB 10-1:30 3.50 (# 30:10 Double Ambig)
&rst
ixpk= 30, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 923, 924,1451,1452,
igr2= 919,1447,
&end
#
# 162 LEU MDX 162 LEU HN 6.00 (# 31:10 Unique 2.52, 4.63 A)
&rst
ixpk= 31, nxpk= 10, iat= -1, 984, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 993, 994, 995, 997, 998, 999,
&end
#
# 0 AMB 10-2:32 105 ARG HN 6.00 (# 32:10 Single Ambig)
&rst
ixpk= 32, nxpk= 10, iat= -1, 56, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 66, 67, 66, 67,
&end
#
# 105 ARG HB- 105 ARG HN 3.50 (# 33:10 Unique 2.30, 3.07 A)
&rst
ixpk= 33, nxpk= 10, iat= -1, 56, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 60, 61,
&end
#
# 0 AMB 10-2:34 105 ARG HN 2.80 (# 34:10 Single Ambig)
&rst
ixpk= 34, nxpk= 10, iat= -1, 56, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 44, 58,
&end
#
# 104 THR HB 105 ARG HN 6.00 (# 35:10 Unique 3.16, 3.84 A)
&rst
ixpk= 35, nxpk= 10, iat= 46, 56, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 105 ARG HB+ 105 ARG HN 3.50 (# 36:10 Unique 2.30, 3.07 A)
&rst
ixpk= 36, nxpk= 10, iat= -1, 56, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 60, 61,
&end
#
# 0 AMB 10-2:37 105 ARG HN 4.50 (# 37:10 Single Ambig)
&rst
ixpk= 37, nxpk= 10, iat= -1, 56, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 63, 64, 63, 64, 87, 88,
&end
#
# 0 AMB 10-2:38 105 ARG HN 4.50 (# 38:10 Single Ambig)
&rst
ixpk= 38, nxpk= 10, iat= -1, 56, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 48, 49, 50, 34, 35, 36,
&end
#
# 0 AMB 10-2:39 170 LYS HN 4.50 (# 39:10 Single Ambig)
&rst
ixpk= 39, nxpk= 10, iat= -1,1127, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1134,1135,1134,1135,
&end
#
# 163 ILE QD1 170 LYS HN 8.00 (# 40:10 Unique 4.33, 5.41 A)
&rst
ixpk= 40, nxpk= 10, iat= -1,1127, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1=1016,1017,1018,
&end
#
# 170 LYS HA 170 LYS HN 6.00 (# 41:10 Unique 2.98, 2.99 A)
&rst
ixpk= 41, nxpk= 10, iat=1129,1127, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 169 VAL HA 170 LYS HN 4.50 (# 42:10 Unique 2.14, 2.18 A)
&rst
ixpk= 42, nxpk= 10, iat=1113,1127, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 170 LYS HB+ 170 LYS HN 6.00 (# 43:10 Unique 2.64, 3.31 A)
&rst
ixpk= 43, nxpk= 10, iat= -1,1127, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1131,1132,
&end
#
# 0 AMB 10-2:44 170 LYS HN 4.50 (# 44:10 Single Ambig)
&rst
ixpk= 44, nxpk= 10, iat= -1,1127, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1013,1014,1137,1138,
&end
#
# 169 VAL MGY 170 LYS HN 4.50 (# 45:10 Unique 2.53, 4.12 A)
&rst
ixpk= 45, nxpk= 10, iat= -1,1127, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1117,1118,1119,1121,1122,1123,
&end
#
# 0 AMB 10-2:46 170 LYS HN 3.50 (# 46:10 Single Ambig)
&rst
ixpk= 46, nxpk= 10, iat= -1,1127, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1117,1118,1119,1121,1122,1123,1281,1282,1283,
&end
#
# 185 SER HA 186 LEU HN 4.50 (# 47:10 Unique 2.19, 3.03 A)
&rst
ixpk= 47, nxpk= 10, iat=1386,1395, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 185 SER HB- 186 LEU HN 4.50 (# 48:10 Unique 2.44, 3.93 A)
&rst
ixpk= 48, nxpk= 10, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1388,1389,
&end
#
# 0 AMB 10-2:49 186 LEU HN 3.50 (# 49:10 Single Ambig)
&rst
ixpk= 49, nxpk= 10, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1399,1400,1402,
&end
#
# 0 AMB 10-2:50 186 LEU HN 3.50 (# 50:10 Single Ambig)
&rst
ixpk= 50, nxpk= 10, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1404,1405,1406,1408,1409,1410,1404,1405,1406,1408,
1409,1410,
&end
#
# 186 LEU HA 186 LEU HN 3.50 (# 51:10 Unique 2.30, 2.89 A)
&rst
ixpk= 51, nxpk= 10, iat=1397,1395, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:52 186 LEU HN 6.00 (# 52:10 Single Ambig)
&rst
ixpk= 52, nxpk= 10, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1352,1416,
&end
#
# 185 SER HB+ 186 LEU HN 4.50 (# 53:10 Unique 2.44, 3.93 A)
&rst
ixpk= 53, nxpk= 10, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1388,1389,
&end
#
# 0 AMB 10-2:54 186 LEU HN 8.00 (# 54:10 Single Ambig)
&rst
ixpk= 54, nxpk= 10, iat= -1,1395, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1418,1419,1339,1340,
&end
#
# 0 AMB 10-2:55 145 GLU HN 3.50 (# 55:10 Single Ambig)
&rst
ixpk= 55, nxpk= 10, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 725, 669, 691,
&end
#
# 0 AMB 10-2:56 145 GLU HN 8.00 (# 56:10 Single Ambig)
&rst
ixpk= 56, nxpk= 10, iat= -1, 723, r1= 1.30, r2= 1.80, r3=11.06, r4=11.56,
igr1= 745, 746, 674, 675, 365, 366, 367,
&end
#
# 0 AMB 10-2:57 145 GLU HN 4.50 (# 57:10 Single Ambig)
&rst
ixpk= 57, nxpk= 10, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 710, 711, 712, 717, 718, 719,
&end
#
# 145 GLU HG+ 145 GLU HN 8.00 (# 58:10 Unique 2.41, 4.15 A)
&rst
ixpk= 58, nxpk= 10, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 730, 731,
&end
#
# 145 GLU HG- 145 GLU HN 8.00 (# 59:10 Unique 2.41, 4.15 A)
&rst
ixpk= 59, nxpk= 10, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 730, 731,
&end
#
# 145 GLU HB+ 145 GLU HN 4.50 (# 60:10 Unique 2.37, 2.65 A)
&rst
ixpk= 60, nxpk= 10, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 727, 728,
&end
#
# 145 GLU HB- 145 GLU HN 3.50 (# 61:10 Unique 2.37, 2.65 A)
&rst
ixpk= 61, nxpk= 10, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 727, 728,
&end
#
# 124 ALA MB 124 ALA HN 6.00 (# 62:10 Unique 2.42, 2.87 A)
&rst
ixpk= 62, nxpk= 10, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 375, 376, 377,
&end
#
# 0 AMB 10-2:63 106 ARG HN 8.00 (# 63:10 Single Ambig)
&rst
ixpk= 63, nxpk= 10, iat= -1, 80, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 48, 49, 50, 34, 35, 36,
&end
#
# 0 AMB 10-2:64 106 ARG HN 2.80 (# 64:10 Single Ambig)
&rst
ixpk= 64, nxpk= 10, iat= -1, 80, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 58, 82,
&end
#
# 0 AMB 10-2:65 106 ARG HN 3.50 (# 65:10 Single Ambig)
&rst
ixpk= 65, nxpk= 10, iat= -1, 80, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 60, 61, 84, 85,
&end
#
# 0 AMB 10-2:66 106 ARG HN 3.50 (# 66:10 Single Ambig)
&rst
ixpk= 66, nxpk= 10, iat= -1, 80, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 87, 88, 87, 88, 63, 64, 63, 64, 111, 112,
&end
#
# 0 AMB 10-2:67 106 ARG HN 8.00 (# 67:10 Single Ambig)
&rst
ixpk= 67, nxpk= 10, iat= -1, 80, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 48, 49, 50, 34, 35, 36,
&end
#
# 108 ARG HB+ 108 ARG HN 3.50 (# 68:10 Unique 2.10, 3.02 A)
&rst
ixpk= 68, nxpk= 10, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 132, 133,
&end
#
# 0 AMB 10-2:69 107 ARG HN 2.80 (# 69:10 Single Ambig)
&rst
ixpk= 69, nxpk= 10, iat= -1, 104, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 82, 106,
&end
#
# 0 AMB 10-2:70 107 ARG HN 4.50 (# 70:10 Single Ambig)
&rst
ixpk= 70, nxpk= 10, iat= -1, 104, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 90, 91, 90, 91, 114, 115, 114, 115, 66, 67,
66, 67,
&end
#
# 0 AMB 10-2:71 108 ARG HN 4.50 (# 71:10 Single Ambig)
&rst
ixpk= 71, nxpk= 10, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 135, 136, 135, 136, 111, 112, 111, 112,
&end
#
# 0 AMB 10-2:72 107 ARG HN 3.50 (# 72:10 Single Ambig)
&rst
ixpk= 72, nxpk= 10, iat= -1, 104, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 84, 85, 108, 109, 60, 61,
&end
#
# 0 AMB 10-2:73 0 AMB 10-1:73 2.80 (# 73:10 Double Ambig)
&rst
ixpk= 73, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 60, 61, 84, 85, 84, 85, 108, 109, 60, 61,
igr2= 80, 104,
&end
#
# 0 AMB 10-2:74 0 AMB 10-1:74 4.50 (# 74:10 Double Ambig)
&rst
ixpk= 74, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 90, 91, 90, 91, 90, 91, 66, 67, 66, 67,
114, 115, 114, 115,
igr2= 104, 80,
&end
#
# 0 AMB 10-2:75 128 LEU HN 6.00 (# 75:10 Single Ambig)
&rst
ixpk= 75, nxpk= 10, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 445, 446, 447, 449, 450, 451, 640, 641, 642, 644,
645, 646,1303,1304,1305,1307,1308,1309,
&end
#
# 0 AMB 10-2:76 128 LEU HN 6.00 (# 76:10 Single Ambig)
&rst
ixpk= 76, nxpk= 10, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 445, 446, 447, 449, 450, 451,1356,1357,1358,
&end
#
# 0 AMB 10-2:77 139 GLU HN 6.00 (# 77:10 Single Ambig)
&rst
ixpk= 77, nxpk= 10, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 579, 580, 677, 678,
&end
#
# 139 GLU HA 139 GLU HN 3.50 (# 78:10 Unique 2.88, 2.93 A)
&rst
ixpk= 78, nxpk= 10, iat= 618, 616, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:79 139 GLU HN 4.50 (# 79:10 Single Ambig)
&rst
ixpk= 79, nxpk= 10, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 607, 596, 633,
&end
#
# 139 GLU HG- 139 GLU HN 3.50 (# 80:10 Unique 2.13, 3.06 A)
&rst
ixpk= 80, nxpk= 10, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 623, 624,
&end
#
# 139 GLU HG+ 139 GLU HN 3.50 (# 81:10 Unique 2.13, 3.06 A)
&rst
ixpk= 81, nxpk= 10, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 623, 624,
&end
#
# 139 GLU HB+ 139 GLU HN 2.80 (# 82:10 Unique 2.39, 3.06 A)
&rst
ixpk= 82, nxpk= 10, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 620, 621,
&end
#
# 136 LYS HB+ 139 GLU HN 3.50 (# 83:10 Unique 2.76, 3.86 A)
&rst
ixpk= 83, nxpk= 10, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 576, 577,
&end
#
# 0 AMB 10-2:84 139 GLU HN 4.50 (# 84:10 Single Ambig)
&rst
ixpk= 84, nxpk= 10, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 576, 577, 582, 583,
&end
#
# 0 AMB 10-2:85 139 GLU HN 4.50 (# 85:10 Single Ambig)
&rst
ixpk= 85, nxpk= 10, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 620, 621, 582, 583,
&end
#
# 0 AMB 10-2:86 139 GLU HN 4.50 (# 86:10 Single Ambig)
&rst
ixpk= 86, nxpk= 10, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 563, 564, 635, 636, 674, 675,
&end
#
# 135 ILE HG1- 139 GLU HN 6.00 (# 87:10 Unique 4.04, 4.55 A)
&rst
ixpk= 87, nxpk= 10, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 563, 564,
&end
#
# 0 AMB 10-2:88 139 GLU HN 6.00 (# 88:10 Single Ambig)
&rst
ixpk= 88, nxpk= 10, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 559, 560, 561, 640, 641, 642, 644, 645, 646,
&end
#
# 136 LYS HG- 139 GLU HN 6.00 (# 89:10 Unique 2.87, 4.07 A)
&rst
ixpk= 89, nxpk= 10, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 579, 580,
&end
#
# 135 ILE QD1 139 GLU HN 6.00 (# 90:10 Unique 4.88, 5.88 A)
&rst
ixpk= 90, nxpk= 10, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 566, 567, 568,
&end
#
# 182 GLU HA 183 ILE HN 2.80 (# 91:10 Unique 2.17, 2.29 A)
&rst
ixpk= 91, nxpk= 10, iat=1337,1350, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 183 ILE HA 183 ILE HN 3.50 (# 92:10 Unique 2.73, 2.91 A)
&rst
ixpk= 92, nxpk= 10, iat=1352,1350, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:93 183 ILE HN 8.00 (# 93:10 Single Ambig)
&rst
ixpk= 93, nxpk= 10, iat= -1,1350, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1=1330,1331,1098,
&end
#
# 0 AMB 10-2:94 183 ILE HN 4.50 (# 94:10 Single Ambig)
&rst
ixpk= 94, nxpk= 10, iat= -1,1350, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1376,1377,1342,1343,1342,1343,1103,1104,
&end
#
# 182 GLU HB- 183 ILE HN 4.50 (# 95:10 Unique 2.21, 3.47 A)
&rst
ixpk= 95, nxpk= 10, iat= -1,1350, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1339,1340,
&end
#
# 182 GLU HB+ 183 ILE HN 4.50 (# 96:10 Unique 2.21, 3.47 A)
&rst
ixpk= 96, nxpk= 10, iat= -1,1350, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1339,1340,
&end
#
# 183 ILE HB 183 ILE HN 3.50 (# 97:10 Unique 2.13, 2.59 A)
&rst
ixpk= 97, nxpk= 10, iat=1354,1350, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 129 LYS HD- 183 ILE HN 6.00 (# 98:10 Unique 2.01, 4.32 A)
&rst
ixpk= 98, nxpk= 10, iat= -1,1350, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 465, 466,
&end
#
# 0 AMB 10-2:99 183 ILE HN 4.50 (# 99:10 Single Ambig)
&rst
ixpk= 99, nxpk= 10, iat= -1,1350, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 462, 463,1360,1361,
&end
#
# 183 ILE HG1+ 183 ILE HN 4.50 (# 100:10 Unique 3.93, 4.59 A)
&rst
ixpk= 100, nxpk= 10, iat= -1,1350, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1360,1361,
&end
#
# 183 ILE QG2 183 ILE HN 4.50 (# 101:10 Unique 1.96, 3.38 A)
&rst
ixpk= 101, nxpk= 10, iat= -1,1350, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1356,1357,1358,
&end
#
# 0 AMB 10-2:102 183 ILE HN 4.50 (# 102:10 Single Ambig)
&rst
ixpk= 102, nxpk= 10, iat= -1,1350, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1363,1364,1365, 387, 388, 389,
&end
#
# 0 AMB 10-2:103 183 ILE HN 6.00 (# 103:10 Single Ambig)
&rst
ixpk= 103, nxpk= 10, iat= -1,1350, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 465, 466, 462, 463,
&end
#
# 179 LEU HG 183 ILE HN 8.00 (# 104:10 Unique 4.94, 5.63 A)
&rst
ixpk= 104, nxpk= 10, iat=1301,1350, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 111 ALA HA 112 ARG HN 6.00 (# 105:10 Unique 2.32, 2.42 A)
&rst
ixpk= 105, nxpk= 10, iat= 175, 183, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 178 ILE HG1+ 134 ALA HN 6.00 (# 106:10 Unique 2.99, 4.33 A)
&rst
ixpk= 106, nxpk= 10, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1285,1286,
&end
#
# 178 ILE QD1 134 ALA HN 3.50 (# 107:10 Unique 2.61, 3.55 A)
&rst
ixpk= 107, nxpk= 10, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1288,1289,1290,
&end
#
# 0 AMB 10-2:108 134 ALA HN 2.80 (# 108:10 Single Ambig)
&rst
ixpk= 108, nxpk= 10, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 535, 545,
&end
#
# 133 ALA MB 134 ALA HN 2.80 (# 109:10 Unique 2.27, 3.34 A)
&rst
ixpk= 109, nxpk= 10, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 537, 538, 539,
&end
#
# 134 ALA MB 134 ALA HN 2.80 (# 110:10 Unique 2.47, 2.88 A)
&rst
ixpk= 110, nxpk= 10, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 547, 548, 549,
&end
#
# 172 PRO HG- 134 ALA HN 8.00 (# 111:10 Unique 4.84, 5.70 A)
&rst
ixpk= 111, nxpk= 10, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1175,1176,
&end
#
# 0 AMB 10-2:112 112 ARG HN 6.00 (# 112:10 Single Ambig)
&rst
ixpk= 112, nxpk= 10, iat= -1, 183, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 175,2274,
&end
#
# 111 ALA MB 112 ARG HN 6.00 (# 113:10 Unique 1.99, 3.01 A)
&rst
ixpk= 113, nxpk= 10, iat= -1, 183, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 177, 178, 179,
&end
#
# 149 GLY HA- 150 LEU HN 4.50 (# 114:10 Unique 2.84, 3.34 A)
&rst
ixpk= 114, nxpk= 10, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 788, 789,
&end
#
# 0 AMB 10-2:115 150 LEU HN 6.00 (# 115:10 Single Ambig)
&rst
ixpk= 115, nxpk= 10, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 312, 313, 314, 316, 317, 318, 840, 841, 842,
&end
#
# 0 AMB 10-2:116 150 LEU HN 6.00 (# 116:10 Single Ambig)
&rst
ixpk= 116, nxpk= 10, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 779, 780, 779, 780,
&end
#
# 144 ILE QG2 150 LEU HN 8.00 (# 117:10 Unique 3.23, 5.94 A)
&rst
ixpk= 117, nxpk= 10, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 710, 711, 712,
&end
#
# 149 GLY HA+ 150 LEU HN 3.50 (# 118:10 Unique 2.84, 3.34 A)
&rst
ixpk= 118, nxpk= 10, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 788, 789,
&end
#
# 150 LEU MDX 150 LEU HN 4.50 (# 119:10 Unique 2.23, 4.51 A)
&rst
ixpk= 119, nxpk= 10, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 802, 803, 804, 806, 807, 808,
&end
#
# 150 LEU HA 150 LEU HN 4.50 (# 120:10 Unique 2.85, 2.94 A)
&rst
ixpk= 120, nxpk= 10, iat= 795, 793, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 148 SER HA 150 LEU HN 8.00 (# 121:10 Unique 4.04, 4.47 A)
&rst
ixpk= 121, nxpk= 10, iat= 777, 793, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 150 LEU HB+ 150 LEU HN 4.50 (# 122:10 Unique 2.19, 3.36 A)
&rst
ixpk= 122, nxpk= 10, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 797, 798,
&end
#
# 150 LEU HG 150 LEU HN 6.00 (# 123:10 Unique 2.49, 2.99 A)
&rst
ixpk= 123, nxpk= 10, iat= 800, 793, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 150 LEU HB- 150 LEU HN 6.00 (# 124:10 Unique 2.19, 3.36 A)
&rst
ixpk= 124, nxpk= 10, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 797, 798,
&end
#
# 150 LEU MDY 150 LEU HN 4.50 (# 125:10 Unique 2.23, 4.51 A)
&rst
ixpk= 125, nxpk= 10, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 802, 803, 804, 806, 807, 808,
&end
#
# 169 VAL HA 169 VAL HN 4.50 (# 126:10 Unique 2.93, 2.95 A)
&rst
ixpk= 126, nxpk= 10, iat=1113,1111, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:127 0 AMB 10-1:127 3.50 (# 127:10 Double Ambig)
&rst
ixpk= 127, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1098, 596, 607,
igr2=1111, 631,
&end
#
# 0 AMB 10-2:128 0 AMB 10-1:128 6.00 (# 128:10 Double Ambig)
&rst
ixpk= 128, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
igr1=1140,1141,1140,1141,1140,1141, 680, 681, 680, 681,
igr2=1149,1111, 631,
&end
#
# 0 AMB 10-2:129 0 AMB 10-1:129 3.50 (# 129:10 Double Ambig)
&rst
ixpk= 129, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1115, 623, 624,
igr2=1111, 631,
&end
#
# 139 GLU HB+ 140 LEU HN 3.50 (# 130:10 Unique 2.59, 3.20 A)
&rst
ixpk= 130, nxpk= 10, iat= -1, 631, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 620, 621,
&end
#
# 0 AMB 10-2:131 0 AMB 10-1:131 3.50 (# 131:10 Double Ambig)
&rst
ixpk= 131, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1100,1101, 576, 577, 950, 951, 952,
igr2=1111, 631,
&end
#
# 0 AMB 10-2:132 0 AMB 10-1:132 2.80 (# 132:10 Double Ambig)
&rst
ixpk= 132, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 635, 636,1153,1154,1100,1101,
igr2= 631,1149,1111,
&end
#
# 0 AMB 10-2:133 0 AMB 10-1:133 3.50 (# 133:10 Double Ambig)
&rst
ixpk= 133, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1131,1132, 620, 621,
igr2=1149, 631,
&end
#
# 170 LYS HB- 171 LYS HN 3.50 (# 134:10 Unique 2.30, 3.06 A)
&rst
ixpk= 134, nxpk= 10, iat= -1,1149, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1131,1132,
&end
#
# 0 AMB 10-2:135 0 AMB 10-1:135 3.50 (# 135:10 Double Ambig)
&rst
ixpk= 135, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1159,1160,1013,1014, 654, 655,1137,1138,1175,1176,
igr2=1149,1111, 631,
&end
#
# 0 AMB 10-2:136 0 AMB 10-1:136 3.50 (# 136:10 Double Ambig)
&rst
ixpk= 136, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=1134,1135,1301,1134,1135,1137,1138, 579, 580,
igr2=1149,1111, 631,
&end
#
# 171 LYS HB- 171 LYS HN 4.50 (# 137:10 Unique 2.40, 2.82 A)
&rst
ixpk= 137, nxpk= 10, iat= -1,1149, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1153,1154,
&end
#
# 171 LYS HG+ 171 LYS HN 6.00 (# 138:10 Unique 3.24, 4.53 A)
&rst
ixpk= 138, nxpk= 10, iat= -1,1149, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1156,1157,
&end
#
# 0 AMB 10-2:139 0 AMB 10-1:139 3.50 (# 139:10 Double Ambig)
&rst
ixpk= 139, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1016,1017,1018, 559, 560, 561, 640, 641, 642, 644,
645, 646,
igr2=1149, 631,
&end
#
# 169 VAL MGY 169 VAL HN 3.50 (# 140:10 Unique 2.32, 3.97 A)
&rst
ixpk= 140, nxpk= 10, iat= -1,1111, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1117,1118,1119,1121,1122,1123,
&end
#
# 0 AMB 10-2:141 0 AMB 10-1:141 3.50 (# 141:10 Double Ambig)
&rst
ixpk= 141, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1=1117,1118,1119,1121,1122,1123,1303,1304,1305,1307,
1308,1309,1303,1304,1305,1307,1308,1309,1281,1282,
1283,
igr2=1111,1149,
&end
#
# 135 ILE QD1 140 LEU HN 6.00 (# 142:10 Unique 3.44, 4.13 A)
&rst
ixpk= 142, nxpk= 10, iat= -1, 631, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 566, 567, 568,
&end
#
# 135 ILE HA 135 ILE HN 6.00 (# 143:10 Unique 2.94, 2.97 A)
&rst
ixpk= 143, nxpk= 10, iat= 555, 553, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:144 135 ILE HN 8.00 (# 144:10 Single Ambig)
&rst
ixpk= 144, nxpk= 10, iat= -1, 553, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1281,1282,1283, 638,
&end
#
# 0 AMB 10-2:145 135 ILE HN 4.50 (# 145:10 Single Ambig)
&rst
ixpk= 145, nxpk= 10, iat= -1, 553, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1241,1242, 563, 564, 635, 636,
&end
#
# 135 ILE HB 135 ILE HN 6.00 (# 146:10 Unique 3.21, 3.30 A)
&rst
ixpk= 146, nxpk= 10, iat= 557, 553, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 134 ALA MB 135 ILE HN 4.50 (# 147:10 Unique 2.66, 3.60 A)
&rst
ixpk= 147, nxpk= 10, iat= -1, 553, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 547, 548, 549,
&end
#
# 134 ALA HA 135 ILE HN 3.50 (# 148:10 Unique 2.14, 2.25 A)
&rst
ixpk= 148, nxpk= 10, iat= 545, 553, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 135 ILE QG2 135 ILE HN 3.50 (# 149:10 Unique 2.32, 3.18 A)
&rst
ixpk= 149, nxpk= 10, iat= -1, 553, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 559, 560, 561,
&end
#
# 174 ARG HA 174 ARG HN 4.50 (# 150:10 Unique 2.75, 2.83 A)
&rst
ixpk= 150, nxpk= 10, iat=1208,1206, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 173 TYR HA 174 ARG HN 2.80 (# 151:10 Unique 2.46, 2.58 A)
&rst
ixpk= 151, nxpk= 10, iat=1187,1206, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 173 TYR HB- 174 ARG HN 4.50 (# 152:10 Unique 2.27, 3.56 A)
&rst
ixpk= 152, nxpk= 10, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1189,1190,
&end
#
# 173 TYR HB+ 174 ARG HN 4.50 (# 153:10 Unique 2.27, 3.56 A)
&rst
ixpk= 153, nxpk= 10, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1189,1190,
&end
#
# 0 AMB 10-2:154 174 ARG HN 3.50 (# 154:10 Single Ambig)
&rst
ixpk= 154, nxpk= 10, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1213,1214,1210,1211,
&end
#
# 174 ARG HB+ 174 ARG HN 3.50 (# 155:10 Unique 2.25, 2.91 A)
&rst
ixpk= 155, nxpk= 10, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1210,1211,
&end
#
# 174 ARG HG+ 174 ARG HN 6.00 (# 156:10 Unique 2.05, 3.47 A)
&rst
ixpk= 156, nxpk= 10, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1213,1214,
&end
#
# 123 ALA MB 123 ALA HN 4.50 (# 157:10 Unique 2.38, 2.86 A)
&rst
ixpk= 157, nxpk= 10, iat= -1, 361, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 365, 366, 367,
&end
#
# 146 LYS HG- 146 LYS HN 4.50 (# 158:10 Unique 2.27, 3.10 A)
&rst
ixpk= 158, nxpk= 10, iat= -1, 738, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 745, 746,
&end
#
# 0 AMB 10-2:159 146 LYS HN 2.80 (# 159:10 Single Ambig)
&rst
ixpk= 159, nxpk= 10, iat= -1, 738, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 740, 691,
&end
#
# 0 AMB 10-2:160 146 LYS HN 4.50 (# 160:10 Single Ambig)
&rst
ixpk= 160, nxpk= 10, iat= -1, 738, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 764, 765, 693, 694, 657, 658,
&end
#
# 145 GLU HB+ 146 LYS HN 3.50 (# 161:10 Unique 2.57, 3.38 A)
&rst
ixpk= 161, nxpk= 10, iat= -1, 738, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 727, 728,
&end
#
# 0 AMB 10-2:162 146 LYS HN 2.80 (# 162:10 Single Ambig)
&rst
ixpk= 162, nxpk= 10, iat= -1, 738, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 742, 743, 742, 743,
&end
#
# 0 AMB 10-2:163 146 LYS HN 4.50 (# 163:10 Single Ambig)
&rst
ixpk= 163, nxpk= 10, iat= -1, 738, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 748, 749, 748, 749,
&end
#
# 146 LYS HG+ 146 LYS HN 3.50 (# 164:10 Unique 2.27, 3.10 A)
&rst
ixpk= 164, nxpk= 10, iat= -1, 738, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 745, 746,
&end
#
# 131 HIS HB- 133 ALA HN 4.50 (# 165:10 Unique 2.75, 4.47 A)
&rst
ixpk= 165, nxpk= 10, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 505, 506,
&end
#
# 134 ALA MB 133 ALA HN 8.00 (# 166:10 Unique 6.32, 7.05 A)
&rst
ixpk= 166, nxpk= 10, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 547, 548, 549,
&end
#
# 132 ASN HA 133 ALA HN 3.50 (# 167:10 Unique 2.89, 3.41 A)
&rst
ixpk= 167, nxpk= 10, iat= 521, 533, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 133 ALA HA 133 ALA HN 3.50 (# 168:10 Unique 2.83, 2.93 A)
&rst
ixpk= 168, nxpk= 10, iat= 535, 533, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 131 HIS HB+ 133 ALA HN 4.50 (# 169:10 Unique 2.75, 4.47 A)
&rst
ixpk= 169, nxpk= 10, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 505, 506,
&end
#
# 132 ASN HB+ 133 ALA HN 4.50 (# 170:10 Unique 2.78, 3.76 A)
&rst
ixpk= 170, nxpk= 10, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 523, 524,
&end
#
# 132 ASN HB- 133 ALA HN 4.50 (# 171:10 Unique 2.78, 3.76 A)
&rst
ixpk= 171, nxpk= 10, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 523, 524,
&end
#
# 133 ALA MB 133 ALA HN 2.80 (# 172:10 Unique 2.42, 3.04 A)
&rst
ixpk= 172, nxpk= 10, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 537, 538, 539,
&end
#
# 178 ILE QD1 133 ALA HN 6.00 (# 173:10 Unique 4.14, 5.90 A)
&rst
ixpk= 173, nxpk= 10, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1288,1289,1290,
&end
#
# 0 AMB 10-2:174 144 ILE HN 4.50 (# 174:10 Single Ambig)
&rst
ixpk= 174, nxpk= 10, iat= -1, 704, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 691, 669, 725,
&end
#
# 0 AMB 10-2:175 144 ILE HN 6.00 (# 175:10 Single Ambig)
&rst
ixpk= 175, nxpk= 10, iat= -1, 704, r1= 1.30, r2= 1.80, r3= 8.95, r4= 9.45,
igr1= 635, 636, 745, 746, 365, 366, 367, 674, 675, 563,
564,
&end
#
# 185 SER HB- 187 GLU HN 6.00 (# 176:10 Unique 3.25, 5.00 A)
&rst
ixpk= 176, nxpk= 10, iat= -1,1414, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1388,1389,
&end
#
# 160 GLN HG- 160 GLN HN 6.00 (# 177:10 Unique 2.80, 3.93 A)
&rst
ixpk= 177, nxpk= 10, iat= -1, 956, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 963, 964,
&end
#
# 0 AMB 10-2:178 0 AMB 10-1:178 4.50 (# 178:10 Double Ambig)
&rst
ixpk= 178, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 963, 964, 730, 731,
igr2= 956, 738,
&end
#
# 0 AMB 10-2:179 0 AMB 10-1:179 8.00 (# 179:10 Double Ambig)
&rst
ixpk= 179, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.42, r4=12.92,
igr1= 710, 711, 712, 717, 718, 719, 991,
igr2= 738, 956,
&end
#
# 0 AMB 10-2:180 144 ILE HN 8.00 (# 180:10 Single Ambig)
&rst
ixpk= 180, nxpk= 10, iat= -1, 704, r1= 1.30, r2= 1.80, r3=11.06, r4=11.56,
igr1= 654, 655, 654, 655, 375, 376, 377,
&end
#
# 144 ILE HG1- 144 ILE HN 4.50 (# 181:10 Unique 2.18, 3.05 A)
&rst
ixpk= 181, nxpk= 10, iat= -1, 704, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 714, 715,
&end
#
# 144 ILE HB 144 ILE HN 6.00 (# 182:10 Unique 2.33, 2.49 A)
&rst
ixpk= 182, nxpk= 10, iat= 708, 704, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:183 144 ILE HN 3.50 (# 183:10 Single Ambig)
&rst
ixpk= 183, nxpk= 10, iat= -1, 704, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 717, 718, 719, 638, 710, 711, 712,
&end
#
# 0 AMB 10-2:184 163 ILE HN 6.00 (# 184:10 Single Ambig)
&rst
ixpk= 184, nxpk= 10, iat= -1,1003, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 958, 977, 978,
&end
#
# 180 GLU HA 182 GLU HN 8.00 (# 185:10 Unique 5.89, 6.34 A)
&rst
ixpk= 185, nxpk= 10, iat=1315,1335, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 188 HIS HA 187 GLU HN 8.00 (# 186:10 Unique 4.61, 5.28 A)
&rst
ixpk= 186, nxpk= 10, iat=1431,1414, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 186 LEU HA 187 GLU HN 3.50 (# 187:10 Unique 2.13, 3.25 A)
&rst
ixpk= 187, nxpk= 10, iat=1397,1414, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 185 SER HB+ 187 GLU HN 6.00 (# 188:10 Unique 3.25, 5.00 A)
&rst
ixpk= 188, nxpk= 10, iat= -1,1414, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1388,1389,
&end
#
# 187 GLU HG- 187 GLU HN 6.00 (# 189:10 Unique 2.21, 3.36 A)
&rst
ixpk= 189, nxpk= 10, iat= -1,1414, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1421,1422,
&end
#
# 187 GLU HG+ 187 GLU HN 3.50 (# 190:10 Unique 2.21, 3.36 A)
&rst
ixpk= 190, nxpk= 10, iat= -1,1414, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1421,1422,
&end
#
# 187 GLU HB+ 187 GLU HN 3.50 (# 191:10 Unique 2.24, 3.16 A)
&rst
ixpk= 191, nxpk= 10, iat= -1,1414, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1418,1419,
&end
#
# 187 GLU HB- 187 GLU HN 3.50 (# 192:10 Unique 2.24, 3.16 A)
&rst
ixpk= 192, nxpk= 10, iat= -1,1414, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1418,1419,
&end
#
# 0 AMB 10-2:193 187 GLU HN 4.50 (# 193:10 Single Ambig)
&rst
ixpk= 193, nxpk= 10, iat= -1,1414, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1402,1399,1400,
&end
#
# 185 SER HA 187 GLU HN 6.00 (# 194:10 Unique 3.21, 4.07 A)
&rst
ixpk= 194, nxpk= 10, iat=1386,1414, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 187 GLU HA 187 GLU HN 3.50 (# 195:10 Unique 2.23, 2.77 A)
&rst
ixpk= 195, nxpk= 10, iat=1416,1414, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 186 LEU MDX 187 GLU HN 4.50 (# 196:10 Unique 2.53, 5.69 A)
&rst
ixpk= 196, nxpk= 10, iat= -1,1414, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1404,1405,1406,1408,1409,1410,
&end
#
# 0 AMB 10-2:197 160 GLN HN 4.50 (# 197:10 Single Ambig)
&rst
ixpk= 197, nxpk= 10, iat= -1, 956, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 960, 961, 943, 944,
&end
#
# 160 GLN HG+ 160 GLN HN 4.50 (# 198:10 Unique 2.80, 3.93 A)
&rst
ixpk= 198, nxpk= 10, iat= -1, 956, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 963, 964,
&end
#
# 160 GLN HG- 160 GLN HN 6.00 (# 199:10 Unique 2.80, 3.93 A)
&rst
ixpk= 199, nxpk= 10, iat= -1, 956, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 963, 964,
&end
#
# 0 AMB 10-2:200 160 GLN HN 4.50 (# 200:10 Single Ambig)
&rst
ixpk= 200, nxpk= 10, iat= -1, 956, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 960, 961, 943, 944,
&end
#
# 143 GLU HB- 144 ILE HN 4.50 (# 201:10 Unique 2.52, 3.18 A)
&rst
ixpk= 201, nxpk= 10, iat= -1, 704, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 693, 694,
&end
#
# 163 ILE HG1+ 163 ILE HN 8.00 (# 202:10 Unique 2.32, 3.11 A)
&rst
ixpk= 202, nxpk= 10, iat= -1,1003, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1013,1014,
&end
#
# 163 ILE HA 163 ILE HN 6.00 (# 203:10 Unique 2.84, 2.85 A)
&rst
ixpk= 203, nxpk= 10, iat=1005,1003, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:204 163 ILE HN 3.50 (# 204:10 Single Ambig)
&rst
ixpk= 204, nxpk= 10, iat= -1,1003, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 988, 989,1026,1027,
&end
#
# 163 ILE HG1- 163 ILE HN 3.50 (# 205:10 Unique 2.32, 3.11 A)
&rst
ixpk= 205, nxpk= 10, iat= -1,1003, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1013,1014,
&end
#
# 162 LEU HB- 163 ILE HN 3.50 (# 206:10 Unique 2.53, 3.19 A)
&rst
ixpk= 206, nxpk= 10, iat= -1,1003, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 988, 989,
&end
#
# 0 AMB 10-2:207 163 ILE HN 4.50 (# 207:10 Single Ambig)
&rst
ixpk= 207, nxpk= 10, iat= -1,1003, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 991,1117,1118,1119,1121,1122,1123,
&end
#
# 163 ILE HB 163 ILE HN 4.50 (# 208:10 Unique 2.30, 2.35 A)
&rst
ixpk= 208, nxpk= 10, iat=1007,1003, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 168 GLU HG- 182 GLU HN 6.00 (# 209:10 Unique 4.29, 5.83 A)
&rst
ixpk= 209, nxpk= 10, iat= -1,1335, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1103,1104,
&end
#
# 0 AMB 10-2:210 182 GLU HN 3.50 (# 210:10 Single Ambig)
&rst
ixpk= 210, nxpk= 10, iat= -1,1335, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1337,1386,
&end
#
# 181 GLY HA- 182 GLU HN 2.80 (# 211:10 Unique 2.14, 2.59 A)
&rst
ixpk= 211, nxpk= 10, iat= -1,1335, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1330,1331,
&end
#
# 0 AMB 10-2:212 182 GLU HN 2.80 (# 212:10 Single Ambig)
&rst
ixpk= 212, nxpk= 10, iat= -1,1335, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1330,1331,1388,1389,
&end
#
# 0 AMB 10-2:213 182 GLU HN 4.50 (# 213:10 Single Ambig)
&rst
ixpk= 213, nxpk= 10, iat= -1,1335, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1342,1343,1342,1343,
&end
#
# 182 GLU HB- 182 GLU HN 2.80 (# 214:10 Unique 2.10, 3.09 A)
&rst
ixpk= 214, nxpk= 10, iat= -1,1335, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1339,1340,
&end
#
# 182 GLU HB+ 182 GLU HN 2.80 (# 215:10 Unique 2.10, 3.09 A)
&rst
ixpk= 215, nxpk= 10, iat= -1,1335, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1339,1340,
&end
#
# 0 AMB 10-2:216 182 GLU HN 6.00 (# 216:10 Single Ambig)
&rst
ixpk= 216, nxpk= 10, iat= -1,1335, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1303,1304,1305,1307,1308,1309,1303,1304,1305,1307,
1308,1309,
&end
#
# 174 ARG HA 176 GLN HN 8.00 (# 217:10 Unique 3.48, 3.76 A)
&rst
ixpk= 217, nxpk= 10, iat=1208,1237, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 171 LYS HG+ 176 GLN HN 6.00 (# 218:10 Unique 3.44, 4.07 A)
&rst
ixpk= 218, nxpk= 10, iat= -1,1237, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1156,1157,
&end
#
# 0 AMB 10-2:219 176 GLN HN 6.00 (# 219:10 Single Ambig)
&rst
ixpk= 219, nxpk= 10, iat= -1,1237, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1=1153,1154, 547, 548, 549,
&end
#
# 171 LYS HE- 176 GLN HN 8.00 (# 220:10 Unique 5.57, 6.68 A)
&rst
ixpk= 220, nxpk= 10, iat= -1,1237, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1162,1163,
&end
#
# 0 AMB 10-2:221 168 GLU HN 6.00 (# 221:10 Single Ambig)
&rst
ixpk= 221, nxpk= 10, iat= -1,1096, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1083,1084,1388,1389,
&end
#
# 167 PRO HD- 168 GLU HN 6.00 (# 222:10 Unique 3.04, 3.67 A)
&rst
ixpk= 222, nxpk= 10, iat= -1,1096, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1083,1084,
&end
#
# 167 PRO HB- 168 GLU HN 4.50 (# 223:10 Unique 3.15, 3.82 A)
&rst
ixpk= 223, nxpk= 10, iat= -1,1096, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1089,1090,
&end
#
# 168 GLU HB+ 168 GLU HN 3.50 (# 224:10 Unique 2.34, 3.04 A)
&rst
ixpk= 224, nxpk= 10, iat= -1,1096, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1100,1101,
&end
#
# 169 VAL MGY 168 GLU HN 4.50 (# 225:10 Unique 4.00, 6.27 A)
&rst
ixpk= 225, nxpk= 10, iat= -1,1096, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1117,1118,1119,1121,1122,1123,
&end
#
# 0 AMB 10-2:226 168 GLU HN 4.50 (# 226:10 Single Ambig)
&rst
ixpk= 226, nxpk= 10, iat= -1,1096, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1117,1118,1119,1121,1122,1123,1303,1304,1305,1307,
1308,1309,1303,1304,1305,1307,1308,1309,
&end
#
# 0 AMB 10-2:227 168 GLU HN 4.50 (# 227:10 Single Ambig)
&rst
ixpk= 227, nxpk= 10, iat= -1,1096, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1089,1090,1086,1087,
&end
#
# 168 GLU HB- 168 GLU HN 3.50 (# 228:10 Unique 2.34, 3.04 A)
&rst
ixpk= 228, nxpk= 10, iat= -1,1096, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1100,1101,
&end
#
# 168 GLU HA 168 GLU HN 3.50 (# 229:10 Unique 2.83, 2.88 A)
&rst
ixpk= 229, nxpk= 10, iat=1098,1096, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 168 GLU HG+ 168 GLU HN 4.50 (# 230:10 Unique 1.99, 3.31 A)
&rst
ixpk= 230, nxpk= 10, iat= -1,1096, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1103,1104,
&end
#
# 0 AMB 10-2:231 143 GLU HN 6.00 (# 231:10 Single Ambig)
&rst
ixpk= 231, nxpk= 10, iat= -1, 689, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 677, 678, 708, 620, 621,
&end
#
# 0 AMB 10-2:232 143 GLU HN 4.50 (# 232:10 Single Ambig)
&rst
ixpk= 232, nxpk= 10, iat= -1, 689, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 674, 675, 635, 636, 563, 564,
&end
#
# 143 GLU HB- 143 GLU HN 3.50 (# 233:10 Unique 2.02, 2.95 A)
&rst
ixpk= 233, nxpk= 10, iat= -1, 689, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 693, 694,
&end
#
# 0 AMB 10-2:234 143 GLU HN 6.00 (# 234:10 Single Ambig)
&rst
ixpk= 234, nxpk= 10, iat= -1, 689, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 428, 429, 430, 563, 564,
&end
#
# 0 AMB 10-2:235 143 GLU HN 8.00 (# 235:10 Single Ambig)
&rst
ixpk= 235, nxpk= 10, iat= -1, 689, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 680, 681, 680, 681, 751, 752,
&end
#
# 176 GLN HA 176 GLN HN 4.50 (# 236:10 Unique 2.97, 2.98 A)
&rst
ixpk= 236, nxpk= 10, iat=1239,1237, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 176 GLN HG+ 176 GLN HN 4.50 (# 237:10 Unique 2.88, 3.66 A)
&rst
ixpk= 237, nxpk= 10, iat= -1,1237, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1244,1245,
&end
#
# 176 GLN HG- 176 GLN HN 4.50 (# 238:10 Unique 2.88, 3.66 A)
&rst
ixpk= 238, nxpk= 10, iat= -1,1237, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1244,1245,
&end
#
# 176 GLN HB- 176 GLN HN 3.50 (# 239:10 Unique 2.52, 3.30 A)
&rst
ixpk= 239, nxpk= 10, iat= -1,1237, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1241,1242,
&end
#
# 0 AMB 10-2:240 176 GLN HN 6.00 (# 240:10 Single Ambig)
&rst
ixpk= 240, nxpk= 10, iat= -1,1237, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1210,1211, 582, 583,
&end
#
# 176 GLN HB+ 176 GLN HN 3.50 (# 241:10 Unique 2.52, 3.30 A)
&rst
ixpk= 241, nxpk= 10, iat= -1,1237, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1241,1242,
&end
#
# 175 GLY HA- 176 GLN HN 8.00 (# 242:10 Unique 3.01, 3.36 A)
&rst
ixpk= 242, nxpk= 10, iat= -1,1237, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1232,1233,
&end
#
# 171 LYS HE+ 176 GLN HN 8.00 (# 243:10 Unique 5.57, 6.68 A)
&rst
ixpk= 243, nxpk= 10, iat= -1,1237, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1162,1163,
&end
#
# 118 ALA MB 118 ALA HN 6.00 (# 244:10 Unique 2.39, 2.85 A)
&rst
ixpk= 244, nxpk= 10, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 275, 276, 277,
&end
#
# 118 ALA MB 118 ALA HN 4.50 (# 245:10 Unique 2.39, 2.85 A)
&rst
ixpk= 245, nxpk= 10, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 275, 276, 277,
&end
#
# 143 GLU HG+ 143 GLU HN 4.50 (# 246:10 Unique 2.24, 3.19 A)
&rst
ixpk= 246, nxpk= 10, iat= -1, 689, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 696, 697,
&end
#
# 140 LEU MDX 143 GLU HN 8.00 (# 247:10 Unique 4.29, 6.65 A)
&rst
ixpk= 247, nxpk= 10, iat= -1, 689, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 640, 641, 642, 644, 645, 646,
&end
#
# 0 AMB 10-2:248 143 GLU HN 2.80 (# 248:10 Single Ambig)
&rst
ixpk= 248, nxpk= 10, iat= -1, 689, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 691, 669,
&end
#
# 143 GLU HG- 143 GLU HN 4.50 (# 249:10 Unique 2.24, 3.19 A)
&rst
ixpk= 249, nxpk= 10, iat= -1, 689, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 696, 697,
&end
#
# 143 GLU HB+ 143 GLU HN 3.50 (# 250:10 Unique 2.02, 2.95 A)
&rst
ixpk= 250, nxpk= 10, iat= -1, 689, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 693, 694,
&end
#
# 0 AMB 10-2:251 143 GLU HN 3.50 (# 251:10 Single Ambig)
&rst
ixpk= 251, nxpk= 10, iat= -1, 689, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 671, 672, 714, 715,
&end
#
# 0 AMB 10-2:252 143 GLU HN 4.50 (# 252:10 Single Ambig)
&rst
ixpk= 252, nxpk= 10, iat= -1, 689, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 674, 675, 748, 749, 748, 749, 677, 678,
&end
#
# 0 AMB 10-2:253 143 GLU HN 6.00 (# 253:10 Single Ambig)
&rst
ixpk= 253, nxpk= 10, iat= -1, 689, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr1= 638, 717, 718, 719, 710, 711, 712,
&end
#
# 162 LEU MDX 166 TYR HN 6.00 (# 254:10 Unique 4.01, 6.81 A)
&rst
ixpk= 254, nxpk= 10, iat= -1,1061, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 993, 994, 995, 997, 998, 999,
&end
#
# 0 AMB 10-2:255 166 TYR HN 6.00 (# 255:10 Single Ambig)
&rst
ixpk= 255, nxpk= 10, iat= -1,1061, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1005,1083,1084,
&end
#
# 0 AMB 10-2:256 0 AMB 10-1:256 4.50 (# 256:10 Double Ambig)
&rst
ixpk= 256, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1046, 438,
igr2=1061, 519,
&end
#
# 0 AMB 10-2:257 166 TYR HN 6.00 (# 257:10 Single Ambig)
&rst
ixpk= 257, nxpk= 10, iat= -1,1061, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1051,1052,1115,
&end
#
# 165 MET ME 166 TYR HN 6.00 (# 258:10 Unique 4.80, 5.82 A)
&rst
ixpk= 258, nxpk= 10, iat= -1,1061, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1055,1056,1057,
&end
#
# 0 AMB 10-2:259 166 TYR HN 3.50 (# 259:10 Single Ambig)
&rst
ixpk= 259, nxpk= 10, iat= -1,1061, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1048,1049, 988, 989,1086,1087,1026,1027,
&end
#
# 164 LYS HA 166 TYR HN 8.00 (# 260:10 Unique 4.23, 4.44 A)
&rst
ixpk= 260, nxpk= 10, iat=1024,1061, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 10-2:261 0 AMB 10-1:261 6.00 (# 261:10 Double Ambig)
&rst
ixpk= 261, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 523, 524,1065,1066,
igr2= 519,1061,
&end
#
# 165 MET HB- 166 TYR HN 3.50 (# 262:10 Unique 2.72, 3.32 A)
&rst
ixpk= 262, nxpk= 10, iat= -1,1061, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1048,1049,
&end
#
# 187 GLU HA 188 HIS HN 4.50 (# 263:10 Unique 2.15, 3.28 A)
&rst
ixpk= 263, nxpk= 10, iat=1416,1429, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 188 HIS HB- 188 HIS HN 6.00 (# 264:10 Unique 2.27, 3.06 A)
&rst
ixpk= 264, nxpk= 10, iat= -1,1429, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1433,1434,
&end
#
# 188 HIS HA 188 HIS HN 6.00 (# 265:10 Unique 2.22, 2.87 A)
&rst
ixpk= 265, nxpk= 10, iat=1431,1429, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:266 178 ILE HN 6.00 (# 266:10 Single Ambig)
&rst
ixpk= 266, nxpk= 10, iat= -1,1275, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1277, 545,
&end
#
# 0 AMB 10-2:267 178 ILE HN 6.00 (# 267:10 Single Ambig)
&rst
ixpk= 267, nxpk= 10, iat= -1,1275, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1131,1132,1175,1176,
&end
#
# 0 AMB 10-2:268 178 ILE HN 6.00 (# 268:10 Single Ambig)
&rst
ixpk= 268, nxpk= 10, iat= -1,1275, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1=1153,1154, 547, 548, 549,
&end
#
# 0 AMB 10-2:269 178 ILE HN 6.00 (# 269:10 Single Ambig)
&rst
ixpk= 269, nxpk= 10, iat= -1,1275, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1016,1017,1018, 559, 560, 561, 640, 641, 642, 644,
645, 646,
&end
#
# 0 AMB 10-2:270 178 ILE HN 4.50 (# 270:10 Single Ambig)
&rst
ixpk= 270, nxpk= 10, iat= -1,1275, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1117,1118,1119,1121,1122,1123, 445, 446, 447, 449,
450, 451,
&end
#
# 0 AMB 10-2:271 178 ILE HN 2.80 (# 271:10 Single Ambig)
&rst
ixpk= 271, nxpk= 10, iat= -1,1275, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1281,1282,1283,1117,1118,1119,1121,1122,1123,
&end
#
# 178 ILE HB 178 ILE HN 6.00 (# 272:10 Unique 3.23, 3.31 A)
&rst
ixpk= 272, nxpk= 10, iat=1279,1275, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:273 159 MET HN 6.00 (# 273:10 Single Ambig)
&rst
ixpk= 273, nxpk= 10, iat= -1, 939, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr1= 950, 951, 952, 960, 961, 307, 308,
&end
#
# 161 SER HA 164 LYS HN 6.00 (# 274:10 Unique 3.27, 3.66 A)
&rst
ixpk= 274, nxpk= 10, iat= 975,1022, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 164 LYS HG- 164 LYS HN 6.00 (# 275:10 Unique 2.25, 2.96 A)
&rst
ixpk= 275, nxpk= 10, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1029,1030,
&end
#
# 0 AMB 10-2:276 125 ILE HN 8.00 (# 276:10 Single Ambig)
&rst
ixpk= 276, nxpk= 10, iat= -1, 381, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 324, 426,
&end
#
# 125 ILE QD1 125 ILE HN 4.50 (# 277:10 Unique 2.65, 3.51 A)
&rst
ixpk= 277, nxpk= 10, iat= -1, 381, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 394, 395, 396,
&end
#
# 163 ILE HB 164 LYS HN 4.50 (# 278:10 Unique 2.56, 2.70 A)
&rst
ixpk= 278, nxpk= 10, iat=1007,1022, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 164 LYS HA 164 LYS HN 3.50 (# 279:10 Unique 2.86, 2.89 A)
&rst
ixpk= 279, nxpk= 10, iat=1024,1022, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:280 164 LYS HN 2.80 (# 280:10 Single Ambig)
&rst
ixpk= 280, nxpk= 10, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1026,1027,1026,1027,
&end
#
# 0 AMB 10-2:281 164 LYS HN 4.50 (# 281:10 Single Ambig)
&rst
ixpk= 281, nxpk= 10, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1032,1033,1032,1033,
&end
#
# 163 ILE QG2 164 LYS HN 4.50 (# 282:10 Unique 3.06, 4.04 A)
&rst
ixpk= 282, nxpk= 10, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1009,1010,1011,
&end
#
# 0 AMB 10-2:283 164 LYS HN 6.00 (# 283:10 Single Ambig)
&rst
ixpk= 283, nxpk= 10, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 958,1046, 977, 978,
&end
#
# 164 LYS HG+ 164 LYS HN 4.50 (# 284:10 Unique 2.25, 2.96 A)
&rst
ixpk= 284, nxpk= 10, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1029,1030,
&end
#
# 163 ILE QG2 164 LYS HN 4.50 (# 285:10 Unique 3.06, 4.04 A)
&rst
ixpk= 285, nxpk= 10, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1009,1010,1011,
&end
#
# 125 ILE HG1+ 125 ILE HN 6.00 (# 286:10 Unique 3.93, 4.17 A)
&rst
ixpk= 286, nxpk= 10, iat= -1, 381, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 391, 392,
&end
#
# 125 ILE HG1- 125 ILE HN 4.50 (# 287:10 Unique 3.93, 4.17 A)
&rst
ixpk= 287, nxpk= 10, iat= -1, 381, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 391, 392,
&end
#
# 124 ALA MB 125 ILE HN 3.50 (# 288:10 Unique 2.60, 3.54 A)
&rst
ixpk= 288, nxpk= 10, iat= -1, 381, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 375, 376, 377,
&end
#
# 125 ILE HB 125 ILE HN 3.50 (# 289:10 Unique 2.09, 2.18 A)
&rst
ixpk= 289, nxpk= 10, iat= 385, 381, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 125 ILE HG1+ 125 ILE HN 6.00 (# 290:10 Unique 3.93, 4.17 A)
&rst
ixpk= 290, nxpk= 10, iat= -1, 381, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 391, 392,
&end
#
# 0 AMB 10-2:291 125 ILE HN 4.50 (# 291:10 Single Ambig)
&rst
ixpk= 291, nxpk= 10, iat= -1, 381, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 387, 388, 389, 445, 446, 447, 449, 450, 451,
&end
#
# 0 AMB 10-2:292 147 GLU HN 2.80 (# 292:10 Single Ambig)
&rst
ixpk= 292, nxpk= 10, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 762, 740, 691,
&end
#
# 147 GLU HB+ 147 GLU HN 3.50 (# 293:10 Unique 2.24, 2.50 A)
&rst
ixpk= 293, nxpk= 10, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 764, 765,
&end
#
# 0 AMB 10-2:294 147 GLU HN 2.80 (# 294:10 Single Ambig)
&rst
ixpk= 294, nxpk= 10, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 764, 765, 742, 743, 742, 743,
&end
#
# 0 AMB 10-2:295 147 GLU HN 4.50 (# 295:10 Single Ambig)
&rst
ixpk= 295, nxpk= 10, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 745, 746, 365, 366, 367,
&end
#
# 0 AMB 10-2:296 147 GLU HN 4.50 (# 296:10 Single Ambig)
&rst
ixpk= 296, nxpk= 10, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 745, 746, 800,
&end
#
# 0 AMB 10-2:297 147 GLU HN 6.00 (# 297:10 Single Ambig)
&rst
ixpk= 297, nxpk= 10, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 748, 749, 748, 749,
&end
#
# 0 AMB 10-2:298 104 THR HN 3.50 (# 298:10 Single Ambig)
&rst
ixpk= 298, nxpk= 10, iat= -1, 42, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 48, 49, 50, 34, 35, 36,
&end
#
# 0 AMB 10-2:299 147 GLU HN 8.00 (# 299:10 Single Ambig)
&rst
ixpk= 299, nxpk= 10, iat= -1, 760, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 710, 711, 712, 717, 718, 719,
&end
#
# 103 THR HA 104 THR HN 3.50 (# 300:10 Unique 2.12, 2.72 A)
&rst
ixpk= 300, nxpk= 10, iat= 30, 42, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 104 THR HA 104 THR HN 4.50 (# 301:10 Unique 2.17, 2.78 A)
&rst
ixpk= 301, nxpk= 10, iat= 44, 42, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:302 104 THR HN 3.50 (# 302:10 Single Ambig)
&rst
ixpk= 302, nxpk= 10, iat= -1, 42, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 32, 46,
&end
#
# 131 HIS HB+ 131 HIS HN 4.50 (# 303:10 Unique 2.41, 3.15 A)
&rst
ixpk= 303, nxpk= 10, iat= -1, 501, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 505, 506,
&end
#
# 130 ARG HA 131 HIS HN 3.50 (# 304:10 Unique 3.21, 3.39 A)
&rst
ixpk= 304, nxpk= 10, iat= 479, 501, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 131 HIS HB- 131 HIS HN 3.50 (# 305:10 Unique 2.41, 3.15 A)
&rst
ixpk= 305, nxpk= 10, iat= -1, 501, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 505, 506,
&end
#
# 130 ARG HG- 131 HIS HN 4.50 (# 306:10 Unique 2.62, 3.40 A)
&rst
ixpk= 306, nxpk= 10, iat= -1, 501, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 484, 485,
&end
#
# 127 THR MG2 131 HIS HN 8.00 (# 307:10 Unique 4.23, 6.18 A)
&rst
ixpk= 307, nxpk= 10, iat= -1, 501, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 428, 429, 430,
&end
#
# 128 LEU HA 131 HIS HN 6.00 (# 308:10 Unique 2.97, 3.42 A)
&rst
ixpk= 308, nxpk= 10, iat= 438, 501, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:309 131 HIS HN 3.50 (# 309:10 Single Ambig)
&rst
ixpk= 309, nxpk= 10, iat= -1, 501, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 481, 482, 481, 482, 459, 460, 459, 460,
&end
#
# 128 LEU MDX 131 HIS HN 8.00 (# 310:10 Unique 4.76, 6.93 A)
&rst
ixpk= 310, nxpk= 10, iat= -1, 501, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 445, 446, 447, 449, 450, 451,
&end
#
# 135 ILE QD1 131 HIS HN 8.00 (# 311:10 Unique 6.60, 7.58 A)
&rst
ixpk= 311, nxpk= 10, iat= -1, 501, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 566, 567, 568,
&end
#
# 179 LEU MDX 131 HIS HN 8.00 (# 312:10 Unique 5.13, 7.75 A)
&rst
ixpk= 312, nxpk= 10, iat= -1, 501, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=1303,1304,1305,1307,1308,1309,
&end
#
# 0 AMB 10-2:313 137 SER HN 8.00 (# 313:10 Single Ambig)
&rst
ixpk= 313, nxpk= 10, iat= -1, 594, r1= 1.30, r2= 1.80, r3=11.06, r4=11.56,
igr1=1244,1245, 576, 577, 950, 951, 952,
&end
#
# 142 LYS HG- 142 LYS HN 3.50 (# 314:10 Unique 2.16, 3.00 A)
&rst
ixpk= 314, nxpk= 10, iat= -1, 667, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 674, 675,
&end
#
# 142 LYS HA 142 LYS HN 3.50 (# 315:10 Unique 2.83, 2.87 A)
&rst
ixpk= 315, nxpk= 10, iat= 669, 667, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:316 142 LYS HN 4.50 (# 316:10 Single Ambig)
&rst
ixpk= 316, nxpk= 10, iat= -1, 667, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 657, 658, 693, 694,
&end
#
# 142 LYS HB- 142 LYS HN 3.50 (# 317:10 Unique 2.38, 3.05 A)
&rst
ixpk= 317, nxpk= 10, iat= -1, 667, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 671, 672,
&end
#
# 0 AMB 10-2:318 142 LYS HN 2.80 (# 318:10 Single Ambig)
&rst
ixpk= 318, nxpk= 10, iat= -1, 667, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 674, 675, 677, 678,
&end
#
# 143 GLU HG- 142 LYS HN 8.00 (# 319:10 Unique 4.58, 5.72 A)
&rst
ixpk= 319, nxpk= 10, iat= -1, 667, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 696, 697,
&end
#
# 129 LYS HG+ 130 ARG HN 6.00 (# 320:10 Unique 4.53, 4.96 A)
&rst
ixpk= 320, nxpk= 10, iat= -1, 477, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 462, 463,
&end
#
# 0 AMB 10-2:321 130 ARG HN 4.50 (# 321:10 Single Ambig)
&rst
ixpk= 321, nxpk= 10, iat= -1, 477, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 487, 488, 487, 488, 505, 506,
&end
#
# 0 AMB 10-2:322 130 ARG HN 4.50 (# 322:10 Single Ambig)
&rst
ixpk= 322, nxpk= 10, iat= -1, 477, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 457, 426,
&end
#
# 130 ARG HA 130 ARG HN 3.50 (# 323:10 Unique 2.90, 2.94 A)
&rst
ixpk= 323, nxpk= 10, iat= 479, 477, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:324 130 ARG HN 3.50 (# 324:10 Single Ambig)
&rst
ixpk= 324, nxpk= 10, iat= -1, 477, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 481, 482, 459, 460, 459, 460,
&end
#
# 130 ARG HG- 130 ARG HN 4.50 (# 325:10 Unique 2.08, 2.78 A)
&rst
ixpk= 325, nxpk= 10, iat= -1, 477, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 484, 485,
&end
#
# 0 AMB 10-2:326 130 ARG HN 6.00 (# 326:10 Single Ambig)
&rst
ixpk= 326, nxpk= 10, iat= -1, 477, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1303,1304,1305,1307,1308,1309,1303,1304,1305,1307,
1308,1309,
&end
#
# 0 AMB 10-2:327 130 ARG HN 6.00 (# 327:10 Single Ambig)
&rst
ixpk= 327, nxpk= 10, iat= -1, 477, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 424, 402,
&end
#
# 0 AMB 10-2:328 165 MET HN 4.50 (# 328:10 Single Ambig)
&rst
ixpk= 328, nxpk= 10, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1051,1052,1055,1056,1057,
&end
#
# 165 MET HA 165 MET HN 3.50 (# 329:10 Unique 2.89, 2.93 A)
&rst
ixpk= 329, nxpk= 10, iat=1046,1044, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 165 MET HB- 165 MET HN 3.50 (# 330:10 Unique 2.33, 2.86 A)
&rst
ixpk= 330, nxpk= 10, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1048,1049,
&end
#
# 0 AMB 10-2:331 165 MET HN 2.80 (# 331:10 Single Ambig)
&rst
ixpk= 331, nxpk= 10, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1048,1049,1026,1027,1026,1027,
&end
#
# 0 AMB 10-2:332 165 MET HN 4.50 (# 332:10 Single Ambig)
&rst
ixpk= 332, nxpk= 10, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1051,1052,1055,1056,1057,
&end
#
# 150 LEU HA 151 GLU HN 3.50 (# 333:10 Unique 2.18, 2.38 A)
&rst
ixpk= 333, nxpk= 10, iat= 795, 812, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 151 GLU HA 151 GLU HN 4.50 (# 334:10 Unique 2.84, 2.90 A)
&rst
ixpk= 334, nxpk= 10, iat= 814, 812, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 151 GLU HG+ 151 GLU HN 3.50 (# 335:10 Unique 2.23, 3.26 A)
&rst
ixpk= 335, nxpk= 10, iat= -1, 812, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 819, 820,
&end
#
# 151 GLU HG- 151 GLU HN 3.50 (# 336:10 Unique 2.23, 3.26 A)
&rst
ixpk= 336, nxpk= 10, iat= -1, 812, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 819, 820,
&end
#
# 151 GLU HB- 151 GLU HN 2.80 (# 337:10 Unique 2.18, 3.08 A)
&rst
ixpk= 337, nxpk= 10, iat= -1, 812, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 816, 817,
&end
#
# 150 LEU HB+ 151 GLU HN 3.50 (# 338:10 Unique 2.13, 3.12 A)
&rst
ixpk= 338, nxpk= 10, iat= -1, 812, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 797, 798,
&end
#
# 150 LEU MDX 151 GLU HN 3.50 (# 339:10 Unique 2.91, 4.89 A)
&rst
ixpk= 339, nxpk= 10, iat= -1, 812, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 802, 803, 804, 806, 807, 808,
&end
#
# 0 AMB 10-2:340 151 GLU HN 6.00 (# 340:10 Single Ambig)
&rst
ixpk= 340, nxpk= 10, iat= -1, 812, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 312, 313, 314, 316, 317, 318, 840, 841, 842,
&end
#
# 150 LEU HG 151 GLU HN 6.00 (# 341:10 Unique 3.09, 4.36 A)
&rst
ixpk= 341, nxpk= 10, iat= 800, 812, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 150 LEU HB- 151 GLU HN 3.50 (# 342:10 Unique 2.13, 3.12 A)
&rst
ixpk= 342, nxpk= 10, iat= -1, 812, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 797, 798,
&end
#
# 165 MET HG+ 165 MET HN 4.50 (# 343:10 Unique 2.55, 3.56 A)
&rst
ixpk= 343, nxpk= 10, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1051,1052,
&end
#
# 0 AMB 10-2:344 115 SER HN 3.50 (# 344:10 Single Ambig)
&rst
ixpk= 344, nxpk= 10, iat= -1, 228, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 223, 224, 223, 224,
&end
#
# 0 AMB 10-2:345 115 SER HN 6.00 (# 345:10 Single Ambig)
&rst
ixpk= 345, nxpk= 10, iat= -1, 228, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 230,1956,
&end
#
# 0 AMB 10-2:346 115 SER HN 8.00 (# 346:10 Single Ambig)
&rst
ixpk= 346, nxpk= 10, iat= -1, 228, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 230,1956,
&end
#
# 160 GLN HG- 161 SER HN 6.00 (# 347:10 Unique 3.63, 4.86 A)
&rst
ixpk= 347, nxpk= 10, iat= -1, 973, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 963, 964,
&end
#
# 160 GLN HB+ 161 SER HN 4.50 (# 348:10 Unique 2.86, 3.37 A)
&rst
ixpk= 348, nxpk= 10, iat= -1, 973, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 960, 961,
&end
#
# 0 AMB 10-2:349 185 SER HN 8.00 (# 349:10 Single Ambig)
&rst
ixpk= 349, nxpk= 10, iat= -1,1384, r1= 1.30, r2= 1.80, r3=11.06, r4=11.56,
igr1=1402,1399,1400, 465, 466, 465, 466,
&end
#
# 183 ILE HA 185 SER HN 6.00 (# 350:10 Unique 3.27, 3.68 A)
&rst
ixpk= 350, nxpk= 10, iat=1352,1384, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 183 ILE HA 185 SER HN 6.00 (# 351:10 Unique 3.27, 3.68 A)
&rst
ixpk= 351, nxpk= 10, iat=1352,1384, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 185 SER HA 185 SER HN 3.50 (# 352:10 Unique 2.78, 2.86 A)
&rst
ixpk= 352, nxpk= 10, iat=1386,1384, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 184 GLU HA 185 SER HN 3.50 (# 353:10 Unique 2.90, 3.30 A)
&rst
ixpk= 353, nxpk= 10, iat=1371,1384, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 185 SER HB- 185 SER HN 3.50 (# 354:10 Unique 2.28, 2.83 A)
&rst
ixpk= 354, nxpk= 10, iat= -1,1384, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1388,1389,
&end
#
# 185 SER HB+ 185 SER HN 3.50 (# 355:10 Unique 2.28, 2.83 A)
&rst
ixpk= 355, nxpk= 10, iat= -1,1384, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1388,1389,
&end
#
# 184 GLU HB+ 185 SER HN 4.50 (# 356:10 Unique 2.98, 4.06 A)
&rst
ixpk= 356, nxpk= 10, iat= -1,1384, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1373,1374,
&end
#
# 0 AMB 10-2:357 185 SER HN 4.50 (# 357:10 Single Ambig)
&rst
ixpk= 357, nxpk= 10, iat= -1,1384, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1339,1340,1373,1374,
&end
#
# 0 AMB 10-2:358 185 SER HN 8.00 (# 358:10 Single Ambig)
&rst
ixpk= 358, nxpk= 10, iat= -1,1384, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1339,1340,1100,1101,
&end
#
# 0 AMB 10-2:359 185 SER HN 4.50 (# 359:10 Single Ambig)
&rst
ixpk= 359, nxpk= 10, iat= -1,1384, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1356,1357,1358,1404,1405,1406,1408,1409,1410,
&end
#
# 183 ILE QD1 185 SER HN 8.00 (# 360:10 Unique 4.32, 6.20 A)
&rst
ixpk= 360, nxpk= 10, iat= -1,1384, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1=1363,1364,1365,
&end
#
# 115 SER HB- 115 SER HN 4.50 (# 361:10 Unique 2.36, 3.03 A)
&rst
ixpk= 361, nxpk= 10, iat= -1, 228, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 232, 233,
&end
#
# 118 ALA MB 115 SER HN 8.00 (# 362:10 Unique 7.03, 8.46 A)
&rst
ixpk= 362, nxpk= 10, iat= -1, 228, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 275, 276, 277,
&end
#
# 160 GLN HG+ 161 SER HN 6.00 (# 363:10 Unique 3.63, 4.86 A)
&rst
ixpk= 363, nxpk= 10, iat= -1, 973, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 963, 964,
&end
#
# 161 SER HA 161 SER HN 3.50 (# 364:10 Unique 2.85, 2.86 A)
&rst
ixpk= 364, nxpk= 10, iat= 975, 973, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:365 161 SER HN 2.80 (# 365:10 Single Ambig)
&rst
ixpk= 365, nxpk= 10, iat= -1, 973, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 977, 978, 958, 907,
&end
#
# 0 AMB 10-2:366 161 SER HN 6.00 (# 366:10 Single Ambig)
&rst
ixpk= 366, nxpk= 10, iat= -1, 973, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 988, 989,1026,1027,1026,1027,
&end
#
# 0 AMB 10-2:367 161 SER HN 6.00 (# 367:10 Single Ambig)
&rst
ixpk= 367, nxpk= 10, iat= -1, 973, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr1=1029,1030,1013,1014, 265, 266, 267,
&end
#
# 0 AMB 10-2:368 127 THR HN 6.00 (# 368:10 Single Ambig)
&rst
ixpk= 368, nxpk= 10, iat= -1, 422, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 407, 408, 365, 366, 367,
&end
#
# 127 THR HA 127 THR HN 4.50 (# 369:10 Unique 2.79, 2.86 A)
&rst
ixpk= 369, nxpk= 10, iat= 424, 422, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:370 127 THR HN 4.50 (# 370:10 Single Ambig)
&rst
ixpk= 370, nxpk= 10, iat= -1, 422, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 426, 363,
&end
#
# 126 LYS HB- 127 THR HN 4.50 (# 371:10 Unique 2.45, 3.17 A)
&rst
ixpk= 371, nxpk= 10, iat= -1, 422, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 404, 405,
&end
#
# 126 LYS HB+ 127 THR HN 3.50 (# 372:10 Unique 2.45, 3.17 A)
&rst
ixpk= 372, nxpk= 10, iat= -1, 422, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 404, 405,
&end
#
# 127 THR MG2 127 THR HN 4.50 (# 373:10 Unique 4.33, 4.59 A)
&rst
ixpk= 373, nxpk= 10, iat= -1, 422, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 428, 429, 430,
&end
#
# 126 LYS HG- 127 THR HN 6.00 (# 374:10 Unique 3.89, 4.68 A)
&rst
ixpk= 374, nxpk= 10, iat= -1, 422, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 407, 408,
&end
#
# 0 AMB 10-2:375 127 THR HN 6.00 (# 375:10 Single Ambig)
&rst
ixpk= 375, nxpk= 10, iat= -1, 422, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1= 387, 388, 389, 445, 446, 447, 449, 450, 451, 640,
641, 642, 644, 645, 646,
&end
#
# 0 AMB 10-2:376 127 THR HN 4.50 (# 376:10 Single Ambig)
&rst
ixpk= 376, nxpk= 10, iat= -1, 422, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1= 484, 485, 410, 411, 410, 411, 375, 376, 377, 465,
466, 462, 463,
&end
#
# 0 AMB 10-2:377 157 THR HN 6.00 (# 377:10 Single Ambig)
&rst
ixpk= 377, nxpk= 10, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 895, 907,
&end
#
# 157 THR MG2 157 THR HN 4.50 (# 378:10 Unique 2.15, 3.01 A)
&rst
ixpk= 378, nxpk= 10, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 911, 912, 913,
&end
#
# 0 AMB 10-2:379 157 THR HN 6.00 (# 379:10 Single Ambig)
&rst
ixpk= 379, nxpk= 10, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 895, 907,
&end
#
# 152 ILE QG2 154 ASN HN 6.00 (# 380:10 Unique 5.26, 6.47 A)
&rst
ixpk= 380, nxpk= 10, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 833, 834, 835,
&end
#
# 0 AMB 10-2:381 110 THR HN 4.50 (# 381:10 Single Ambig)
&rst
ixpk= 381, nxpk= 10, iat= -1, 159, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2242, 163,2020,
&end
#
# 109 GLY HA+ 110 THR HN 3.50 (# 382:10 Unique 2.07, 2.53 A)
&rst
ixpk= 382, nxpk= 10, iat= -1, 159, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 154, 155,
&end
#
# 0 AMB 10-2:383 110 THR HN 3.50 (# 383:10 Single Ambig)
&rst
ixpk= 383, nxpk= 10, iat= -1, 159, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 161, 175,2052,
&end
#
# 0 AMB 10-2:384 110 THR HN 3.50 (# 384:10 Single Ambig)
&rst
ixpk= 384, nxpk= 10, iat= -1, 159, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 154, 155,2049,
&end
#
# 110 THR MG2 110 THR HN 3.50 (# 385:10 Unique 2.53, 3.73 A)
&rst
ixpk= 385, nxpk= 10, iat= -1, 159, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 165, 166, 167,
&end
#
# 0 AMB 10-2:386 177 TYR HN 6.00 (# 386:10 Single Ambig)
&rst
ixpk= 386, nxpk= 10, iat= -1,1254, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr1= 445, 446, 447, 449, 450, 451, 638,
&end
#
# 176 GLN HA 177 TYR HN 4.50 (# 387:10 Unique 2.05, 2.09 A)
&rst
ixpk= 387, nxpk= 10, iat=1239,1254, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:388 177 TYR HN 6.00 (# 388:10 Single Ambig)
&rst
ixpk= 388, nxpk= 10, iat= -1,1254, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1241,1242, 563, 564,
&end
#
# 0 AMB 10-2:389 177 TYR HN 6.00 (# 389:10 Single Ambig)
&rst
ixpk= 389, nxpk= 10, iat= -1,1254, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1244,1245,1178,1179, 950, 951, 952, 576, 577,
&end
#
# 135 ILE QG2 177 TYR HN 4.50 (# 390:10 Unique 3.66, 4.42 A)
&rst
ixpk= 390, nxpk= 10, iat= -1,1254, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 559, 560, 561,
&end
#
# 134 ALA MB 177 TYR HN 6.00 (# 391:10 Unique 3.95, 5.37 A)
&rst
ixpk= 391, nxpk= 10, iat= -1,1254, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 547, 548, 549,
&end
#
# 174 ARG HA 175 GLY HN 4.50 (# 392:10 Unique 2.09, 2.21 A)
&rst
ixpk= 392, nxpk= 10, iat=1208,1230, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 174 ARG HG- 175 GLY HN 6.00 (# 393:10 Unique 2.91, 4.53 A)
&rst
ixpk= 393, nxpk= 10, iat= -1,1230, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1213,1214,
&end
#
# 171 LYS HE+ 175 GLY HN 8.00 (# 394:10 Unique 4.75, 6.55 A)
&rst
ixpk= 394, nxpk= 10, iat= -1,1230, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1162,1163,
&end
#
# 173 TYR HB- 173 TYR HN 3.50 (# 395:10 Unique 2.88, 3.30 A)
&rst
ixpk= 395, nxpk= 10, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1189,1190,
&end
#
# 176 GLN HG+ 173 TYR HN 6.00 (# 396:10 Unique 4.39, 5.11 A)
&rst
ixpk= 396, nxpk= 10, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1244,1245,
&end
#
# 172 PRO HG+ 173 TYR HN 4.50 (# 397:10 Unique 2.61, 4.33 A)
&rst
ixpk= 397, nxpk= 10, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1175,1176,
&end
#
# 172 PRO HD- 173 TYR HN 4.50 (# 398:10 Unique 3.13, 3.81 A)
&rst
ixpk= 398, nxpk= 10, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1172,1173,
&end
#
# 0 AMB 10-2:399 173 TYR HN 3.50 (# 399:10 Single Ambig)
&rst
ixpk= 399, nxpk= 10, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1241,1242,1178,1179,
&end
#
# 0 AMB 10-2:400 173 TYR HN 6.00 (# 400:10 Single Ambig)
&rst
ixpk= 400, nxpk= 10, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1=1153,1154, 547, 548, 549,
&end
#
# 178 ILE QG2 173 TYR HN 6.00 (# 401:10 Unique 6.14, 7.25 A)
&rst
ixpk= 401, nxpk= 10, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1281,1282,1283,
&end
#
# 148 SER HA 149 GLY HN 4.50 (# 402:10 Unique 3.28, 3.51 A)
&rst
ixpk= 402, nxpk= 10, iat= 777, 786, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:403 149 GLY HN 6.00 (# 403:10 Single Ambig)
&rst
ixpk= 403, nxpk= 10, iat= -1, 786, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 764, 765, 742, 743, 742, 743, 714, 715,
&end
#
# 173 TYR HA 173 TYR HN 3.50 (# 404:10 Unique 2.87, 2.91 A)
&rst
ixpk= 404, nxpk= 10, iat=1187,1185, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 172 PRO HD+ 173 TYR HN 4.50 (# 405:10 Unique 3.13, 3.81 A)
&rst
ixpk= 405, nxpk= 10, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1172,1173,
&end
#
# 173 TYR HB+ 173 TYR HN 3.50 (# 406:10 Unique 2.88, 3.30 A)
&rst
ixpk= 406, nxpk= 10, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1189,1190,
&end
#
# 172 PRO HG- 173 TYR HN 4.50 (# 407:10 Unique 2.61, 4.33 A)
&rst
ixpk= 407, nxpk= 10, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1175,1176,
&end
#
# 0 AMB 10-2:408 173 TYR HN 4.50 (# 408:10 Single Ambig)
&rst
ixpk= 408, nxpk= 10, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1181,2398,
&end
#
# 0 AMB 10-2:409 173 TYR HN 4.50 (# 409:10 Single Ambig)
&rst
ixpk= 409, nxpk= 10, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1178,1179,1244,1245,
&end
#
# 0 AMB 10-2:410 173 TYR HN 4.50 (# 410:10 Single Ambig)
&rst
ixpk= 410, nxpk= 10, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1241,1242,1153,1154,
&end
#
# 171 LYS HG- 173 TYR HN 6.00 (# 411:10 Unique 2.68, 3.46 A)
&rst
ixpk= 411, nxpk= 10, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1156,1157,
&end
#
# 0 AMB 10-2:412 149 GLY HN 2.80 (# 412:10 Single Ambig)
&rst
ixpk= 412, nxpk= 10, iat= -1, 786, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 788, 789, 740,
&end
#
# 149 GLY HA- 149 GLY HN 3.50 (# 413:10 Unique 2.25, 2.61 A)
&rst
ixpk= 413, nxpk= 10, iat= -1, 786, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 788, 789,
&end
#
# 0 AMB 10-2:414 149 GLY HN 6.00 (# 414:10 Single Ambig)
&rst
ixpk= 414, nxpk= 10, iat= -1, 786, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 779, 780, 779, 780,
&end
#
# 132 ASN HA 132 ASN HD2+ 6.00 (# 415:10 Unique 2.56, 4.26 A)
&rst
ixpk= 415, nxpk= 10, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 528, 529,
&end
#
# 160 GLN HB+ 160 GLN HE2- 6.00 (# 416:10 Unique 2.31, 4.41 A)
&rst
ixpk= 416, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 960, 961,
igr2= 968, 969,
&end
#
# 132 ASN HB+ 132 ASN HD2+ 3.50 (# 417:10 Unique 2.23, 3.28 A)
&rst
ixpk= 417, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 523, 524,
igr2= 528, 529,
&end
#
# 132 ASN HB- 132 ASN HD2+ 3.50 (# 418:10 Unique 2.23, 3.28 A)
&rst
ixpk= 418, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 523, 524,
igr2= 528, 529,
&end
#
# 0 AMB 10-2:419 0 AMB 10-1:419 4.50 (# 419:10 Double Ambig)
&rst
ixpk= 419, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 897, 898, 899,1013,1014,
igr2= 968, 969, 968, 969,
&end
#
# 171 LYS HG+ 160 GLN HE2+ 6.00 (# 420:10 Unique 5.16, 6.31 A)
&rst
ixpk= 420, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1156,1157,
igr2= 968, 969,
&end
#
# 0 AMB 10-2:421 0 AMB 10-1:421 6.00 (# 421:10 Double Ambig)
&rst
ixpk= 421, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 958,2366,
igr2= 968, 969, 968, 969,
&end
#
# 160 GLN HG+ 160 GLN HE2+ 3.50 (# 422:10 Unique 2.45, 3.30 A)
&rst
ixpk= 422, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 963, 964,
igr2= 968, 969,
&end
#
# 160 GLN HG- 160 GLN HE2+ 3.50 (# 423:10 Unique 2.45, 3.30 A)
&rst
ixpk= 423, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 963, 964,
igr2= 968, 969,
&end
#
# 163 ILE QD1 160 GLN HE2+ 6.00 (# 424:10 Unique 3.07, 4.46 A)
&rst
ixpk= 424, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1016,1017,1018,
igr2= 968, 969,
&end
#
# 160 GLN HG+ 160 GLN HE2- 3.50 (# 425:10 Unique 2.45, 3.30 A)
&rst
ixpk= 425, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 963, 964,
igr2= 968, 969,
&end
#
# 160 GLN HG- 160 GLN HE2- 3.50 (# 426:10 Unique 2.45, 3.30 A)
&rst
ixpk= 426, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 963, 964,
igr2= 968, 969,
&end
#
# 171 LYS HG+ 160 GLN HE2- 8.00 (# 427:10 Unique 5.16, 6.31 A)
&rst
ixpk= 427, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1156,1157,
igr2= 968, 969,
&end
#
# 132 ASN HB+ 132 ASN HD2- 3.50 (# 428:10 Unique 2.23, 3.28 A)
&rst
ixpk= 428, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 523, 524,
igr2= 528, 529,
&end
#
# 132 ASN HB- 132 ASN HD2- 3.50 (# 429:10 Unique 2.23, 3.28 A)
&rst
ixpk= 429, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 523, 524,
igr2= 528, 529,
&end
#
# 160 GLN HB+ 160 GLN HE2+ 6.00 (# 430:10 Unique 2.31, 4.41 A)
&rst
ixpk= 430, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 960, 961,
igr2= 968, 969,
&end
#
# 0 AMB 10-2:431 160 GLN HE2- 6.00 (# 431:10 Single Ambig)
&rst
ixpk= 431, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1= 897, 898, 899,1013,1014,
igr2= 968, 969,
&end
#
# 0 AMB 10-2:432 160 GLN HE2- 6.00 (# 432:10 Single Ambig)
&rst
ixpk= 432, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1159,1160,1013,1014,
igr2= 968, 969,
&end
#
# 108 ARG HB+ 109 GLY HN 6.00 (# 433:10 Unique 2.18, 3.29 A)
&rst
ixpk= 433, nxpk= 10, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 132, 133,
&end
#
# 0 AMB 10-2:434 109 GLY HN 3.50 (# 434:10 Single Ambig)
&rst
ixpk= 434, nxpk= 10, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 106, 130,2052, 82,2178,
&end
#
# 108 ARG HB- 109 GLY HN 4.50 (# 435:10 Unique 2.18, 3.29 A)
&rst
ixpk= 435, nxpk= 10, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 132, 133,
&end
#
# 0 AMB 10-2:436 109 GLY HN 6.00 (# 436:10 Single Ambig)
&rst
ixpk= 436, nxpk= 10, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 135, 136, 135, 136,
&end
#
# 0 AMB 10-2:437 109 GLY HN 2.80 (# 437:10 Single Ambig)
&rst
ixpk= 437, nxpk= 10, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 154, 155,2240,
&end
#
# 181 GLY HA+ 181 GLY HN 2.80 (# 438:10 Unique 2.29, 2.59 A)
&rst
ixpk= 438, nxpk= 10, iat= -1,1328, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1330,1331,
&end
#
# 180 GLU HG- 181 GLY HN 4.50 (# 439:10 Unique 4.12, 4.73 A)
&rst
ixpk= 439, nxpk= 10, iat= -1,1328, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1320,1321,
&end
#
# 180 GLU HB- 181 GLY HN 4.50 (# 440:10 Unique 2.76, 3.86 A)
&rst
ixpk= 440, nxpk= 10, iat= -1,1328, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1317,1318,
&end
#
# 178 ILE HG1- 181 GLY HN 8.00 (# 441:10 Unique 5.43, 6.78 A)
&rst
ixpk= 441, nxpk= 10, iat= -1,1328, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1285,1286,
&end
#
# 0 AMB 10-2:442 181 GLY HN 4.50 (# 442:10 Single Ambig)
&rst
ixpk= 442, nxpk= 10, iat= -1,1328, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1303,1304,1305,1307,1308,1309,1303,1304,1305,1307,
1308,1309,
&end
#
# 179 LEU HA 181 GLY HN 8.00 (# 443:10 Unique 5.60, 5.94 A)
&rst
ixpk= 443, nxpk= 10, iat=1296,1328, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 180 GLU HA 181 GLY HN 3.50 (# 444:10 Unique 2.13, 2.18 A)
&rst
ixpk= 444, nxpk= 10, iat=1315,1328, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 181 GLY HA- 181 GLY HN 2.80 (# 445:10 Unique 2.29, 2.59 A)
&rst
ixpk= 445, nxpk= 10, iat= -1,1328, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1330,1331,
&end
#
# 180 GLU HB+ 181 GLY HN 4.50 (# 446:10 Unique 2.76, 3.86 A)
&rst
ixpk= 446, nxpk= 10, iat= -1,1328, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1317,1318,
&end
#
# 179 LEU HG 181 GLY HN 6.00 (# 447:10 Unique 4.01, 5.04 A)
&rst
ixpk= 447, nxpk= 10, iat=1301,1328, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 129 LYS HG- 181 GLY HN 8.00 (# 448:10 Unique 5.86, 7.73 A)
&rst
ixpk= 448, nxpk= 10, iat= -1,1328, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 462, 463,
&end
#
# 177 TYR HA 178 ILE HN 6.00 (# 449:10 Unique 2.33, 2.37 A)
&rst
ixpk= 449, nxpk= 10, iat=1256,1275, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 171 LYS HA 173 TYR HN 6.00 (# 450:10 Unique 3.36, 3.58 A)
&rst
ixpk= 450, nxpk= 10, iat=1151,1185, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 139 GLU HN 140 LEU HN 4.50 (# 451:10 Unique 2.41, 2.57 A)
&rst
ixpk= 451, nxpk= 10, iat= 616, 631, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 173 TYR HD 174 ARG HN 6.00 (# 452:10 Unique 2.51, 3.31 A)
&rst
ixpk= 452, nxpk= 10, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1193,1202,
&end
#
# 173 TYR HD 174 ARG HN 6.00 (# 453:10 Unique 2.51, 3.31 A)
&rst
ixpk= 453, nxpk= 10, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1193,1202,
&end
#
# 173 TYR HN 176 GLN HN 4.50 (# 454:10 Unique 3.07, 3.28 A)
&rst
ixpk= 454, nxpk= 10, iat=1185,1237, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:455 166 TYR HN 2.80 (# 455:10 Single Ambig)
&rst
ixpk= 455, nxpk= 10, iat= -1,1061, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1044,1069,1078,
&end
#
# 165 MET HN 164 LYS HN 6.00 (# 456:10 Unique 2.69, 2.74 A)
&rst
ixpk= 456, nxpk= 10, iat=1044,1022, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 165 MET HN 164 LYS HN 4.50 (# 457:10 Unique 2.69, 2.74 A)
&rst
ixpk= 457, nxpk= 10, iat=1044,1022, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:458 170 LYS HN 4.50 (# 458:10 Single Ambig)
&rst
ixpk= 458, nxpk= 10, iat= -1,1127, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1149,1111,
&end
#
# 0 AMB 10-2:459 145 GLU HN 6.00 (# 459:10 Single Ambig)
&rst
ixpk= 459, nxpk= 10, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 738, 760,
&end
#
# 169 VAL HN 168 GLU HN 3.50 (# 460:10 Unique 2.60, 2.68 A)
&rst
ixpk= 460, nxpk= 10, iat=1111,1096, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:461 184 GLU HN 3.50 (# 461:10 Single Ambig)
&rst
ixpk= 461, nxpk= 10, iat= -1,1369, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1350,1384,
&end
#
# 133 ALA HN 134 ALA HN 6.00 (# 462:10 Unique 4.41, 4.59 A)
&rst
ixpk= 462, nxpk= 10, iat= 533, 543, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 143 GLU HN 144 ILE HN 6.00 (# 463:10 Unique 2.78, 2.88 A)
&rst
ixpk= 463, nxpk= 10, iat= 689, 704, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 161 SER HN 160 GLN HN 6.00 (# 464:10 Unique 2.67, 2.80 A)
&rst
ixpk= 464, nxpk= 10, iat= 973, 956, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 161 SER HN 160 GLN HN 6.00 (# 465:10 Unique 2.67, 2.80 A)
&rst
ixpk= 465, nxpk= 10, iat= 973, 956, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 142 LYS HN 143 GLU HN 4.50 (# 466:10 Unique 2.75, 2.86 A)
&rst
ixpk= 466, nxpk= 10, iat= 667, 689, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 150 LEU HN 149 GLY HN 3.50 (# 467:10 Unique 2.50, 2.69 A)
&rst
ixpk= 467, nxpk= 10, iat= 793, 786, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 130 ARG HN 131 HIS HN 2.80 (# 468:10 Unique 2.33, 2.65 A)
&rst
ixpk= 468, nxpk= 10, iat= 477, 501, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 130 ARG HN 131 HIS HN 2.80 (# 469:10 Unique 2.33, 2.65 A)
&rst
ixpk= 469, nxpk= 10, iat= 477, 501, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 130 ARG HN 131 HIS HN 2.80 (# 470:10 Unique 2.33, 2.65 A)
&rst
ixpk= 470, nxpk= 10, iat= 477, 501, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 135 ILE HN 134 ALA HN 6.00 (# 471:10 Unique 4.61, 4.67 A)
&rst
ixpk= 471, nxpk= 10, iat= 553, 543, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:472 0 AMB 10-1:472 4.50 (# 472:10 Double Ambig)
&rst
ixpk= 472, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1096, 650,
igr2=1111, 631,
&end
#
# 170 LYS HN 0 AMB 10-1:473 6.00 (# 473:10 Single Ambig)
&rst
ixpk= 473, nxpk= 10, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1149,1111,
&end
#
# 145 GLU HN 146 LYS HN 4.50 (# 474:10 Unique 2.71, 2.79 A)
&rst
ixpk= 474, nxpk= 10, iat= 723, 738, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 175 GLY HN 176 GLN HN 6.00 (# 475:10 Unique 2.68, 2.78 A)
&rst
ixpk= 475, nxpk= 10, iat=1230,1237, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 135 ILE HN 177 TYR HN 6.00 (# 476:10 Unique 2.89, 2.97 A)
&rst
ixpk= 476, nxpk= 10, iat= 553,1254, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 180 GLU HN 181 GLY HN 6.00 (# 477:10 Unique 4.17, 4.46 A)
&rst
ixpk= 477, nxpk= 10, iat=1313,1328, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 184 GLU HN 183 ILE HN 4.50 (# 478:10 Unique 1.74, 2.46 A)
&rst
ixpk= 478, nxpk= 10, iat=1369,1350, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 134 ALA HN 133 ALA HN 6.00 (# 479:10 Unique 4.41, 4.59 A)
&rst
ixpk= 479, nxpk= 10, iat= 543, 533, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 144 ILE HN 143 GLU HN 4.50 (# 480:10 Unique 2.78, 2.88 A)
&rst
ixpk= 480, nxpk= 10, iat= 704, 689, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:481 104 THR HN 8.00 (# 481:10 Single Ambig)
&rst
ixpk= 481, nxpk= 10, iat= -1, 42, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 56, 80,
&end
#
# 166 TYR HN 165 MET HN 3.50 (# 482:10 Unique 2.50, 2.57 A)
&rst
ixpk= 482, nxpk= 10, iat=1061,1044, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 184 GLU HN 185 SER HN 4.50 (# 483:10 Unique 1.81, 2.83 A)
&rst
ixpk= 483, nxpk= 10, iat=1369,1384, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 140 LEU HN 139 GLU HN 4.50 (# 484:10 Unique 2.41, 2.57 A)
&rst
ixpk= 484, nxpk= 10, iat= 631, 616, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 148 SER HN 150 LEU HN 6.00 (# 485:10 Unique 3.52, 3.96 A)
&rst
ixpk= 485, nxpk= 10, iat= 775, 793, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 177 TYR HN 176 GLN HN 6.00 (# 486:10 Unique 4.22, 4.29 A)
&rst
ixpk= 486, nxpk= 10, iat=1254,1237, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 148 SER HN 147 GLU HN 4.50 (# 487:10 Unique 2.67, 2.74 A)
&rst
ixpk= 487, nxpk= 10, iat= 775, 760, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 111 ALA HN 110 THR HN 6.00 (# 488:10 Unique 3.24, 4.32 A)
&rst
ixpk= 488, nxpk= 10, iat= 173, 159, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 148 SER HN 149 GLY HN 4.50 (# 489:10 Unique 2.00, 2.37 A)
&rst
ixpk= 489, nxpk= 10, iat= 775, 786, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 182 GLU HN 181 GLY HN 6.00 (# 490:10 Unique 4.27, 4.63 A)
&rst
ixpk= 490, nxpk= 10, iat=1335,1328, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 149 GLY HN 150 LEU HN 3.50 (# 491:10 Unique 2.50, 2.69 A)
&rst
ixpk= 491, nxpk= 10, iat= 786, 793, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 143 GLU HN 142 LYS HN 6.00 (# 492:10 Unique 2.75, 2.86 A)
&rst
ixpk= 492, nxpk= 10, iat= 689, 667, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 129 LYS HN 130 ARG HN 6.00 (# 493:10 Unique 2.60, 2.88 A)
&rst
ixpk= 493, nxpk= 10, iat= 455, 477, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 160 GLN HN 161 SER HN 6.00 (# 494:10 Unique 2.67, 2.80 A)
&rst
ixpk= 494, nxpk= 10, iat= 956, 973, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 131 HIS HN 130 ARG HN 3.50 (# 495:10 Unique 2.33, 2.65 A)
&rst
ixpk= 495, nxpk= 10, iat= 501, 477, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 150 LEU HN 151 GLU HN 6.00 (# 496:10 Unique 4.40, 4.52 A)
&rst
ixpk= 496, nxpk= 10, iat= 793, 812, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 164 LYS HN 165 MET HN 4.50 (# 497:10 Unique 2.69, 2.74 A)
&rst
ixpk= 497, nxpk= 10, iat=1022,1044, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 174 ARG HN 173 TYR HN 6.00 (# 498:10 Unique 4.39, 4.48 A)
&rst
ixpk= 498, nxpk= 10, iat=1206,1185, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 176 GLN HN 173 TYR HN 6.00 (# 499:10 Unique 3.07, 3.28 A)
&rst
ixpk= 499, nxpk= 10, iat=1237,1185, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:500 184 GLU HN 8.00 (# 500:10 Single Ambig)
&rst
ixpk= 500, nxpk= 10, iat= -1,1369, r1= 1.30, r2= 1.80, r3=11.06, r4=11.56,
igr1= 465, 466, 462, 463,1402,1399,1400,
&end
#
# 0 AMB 10-2:501 145 GLU HN 8.00 (# 501:10 Single Ambig)
&rst
ixpk= 501, nxpk= 10, iat= -1, 723, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 748, 749, 748, 749, 674, 675,
&end
#
# 0 AMB 10-2:502 107 ARG HN 3.50 (# 502:10 Single Ambig)
&rst
ixpk= 502, nxpk= 10, iat= -1, 104, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 111, 112, 111, 112, 87, 88, 87, 88, 63, 64,
63, 64,
&end
#
# 0 AMB 10-2:503 108 ARG HN 3.50 (# 503:10 Single Ambig)
&rst
ixpk= 503, nxpk= 10, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 108, 109, 132, 133,
&end
#
# 0 AMB 10-2:504 106 ARG HN 3.50 (# 504:10 Single Ambig)
&rst
ixpk= 504, nxpk= 10, iat= -1, 80, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 60, 61, 84, 85,
&end
#
# 110 THR HN 111 ALA HN 8.00 (# 505:10 Unique 3.24, 4.32 A)
&rst
ixpk= 505, nxpk= 10, iat= 159, 173, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 10-2:506 148 SER HN 4.50 (# 506:10 Single Ambig)
&rst
ixpk= 506, nxpk= 10, iat= -1, 775, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 779, 780, 779, 780,
&end
#
# 147 GLU HB+ 148 SER HN 4.50 (# 507:10 Unique 2.46, 3.22 A)
&rst
ixpk= 507, nxpk= 10, iat= -1, 775, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 764, 765,
&end
#
# 148 SER HA 148 SER HN 4.50 (# 508:10 Unique 2.93, 2.97 A)
&rst
ixpk= 508, nxpk= 10, iat= 777, 775, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:509 148 SER HN 3.50 (# 509:10 Single Ambig)
&rst
ixpk= 509, nxpk= 10, iat= -1, 775, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 762, 788, 789, 740,
&end
#
# 147 GLU HB- 148 SER HN 3.50 (# 510:10 Unique 2.46, 3.22 A)
&rst
ixpk= 510, nxpk= 10, iat= -1, 775, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 764, 765,
&end
#
# 123 ALA MB 148 SER HN 4.50 (# 511:10 Unique 3.34, 4.74 A)
&rst
ixpk= 511, nxpk= 10, iat= -1, 775, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 365, 366, 367,
&end
#
# 0 AMB 10-2:512 114 GLY HN 2.80 (# 512:10 Single Ambig)
&rst
ixpk= 512, nxpk= 10, iat= -1, 221, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 223, 224, 223, 224,
&end
#
# 0 AMB 10-2:513 114 GLY HN 6.00 (# 513:10 Single Ambig)
&rst
ixpk= 513, nxpk= 10, iat= -1, 221, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 211, 212, 850, 851,
&end
#
# 0 AMB 10-2:514 114 GLY HN 8.00 (# 514:10 Single Ambig)
&rst
ixpk= 514, nxpk= 10, iat= -1, 221, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 243, 244, 187, 188,
&end
#
# 170 LYS HD- 179 LEU HN 8.00 (# 515:10 Unique 6.22, 7.81 A)
&rst
ixpk= 515, nxpk= 10, iat= -1,1294, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1137,1138,
&end
#
# 113 PRO HB+ 114 GLY HN 4.50 (# 516:10 Unique 2.76, 3.39 A)
&rst
ixpk= 516, nxpk= 10, iat= -1, 221, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 214, 215,
&end
#
# 188 HIS HB- 187 GLU HN 8.00 (# 517:10 Unique 4.59, 5.68 A)
&rst
ixpk= 517, nxpk= 10, iat= -1,1414, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1433,1434,
&end
#
# 178 ILE HG1+ 133 ALA HN 8.00 (# 518:10 Unique 3.86, 5.25 A)
&rst
ixpk= 518, nxpk= 10, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1285,1286,
&end
#
# 0 AMB 10-2:519 125 ILE HN 8.00 (# 519:10 Single Ambig)
&rst
ixpk= 519, nxpk= 10, iat= -1, 381, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 361, 346,
&end
#
# 125 ILE HA 125 ILE HN 6.00 (# 520:10 Unique 2.85, 2.88 A)
&rst
ixpk= 520, nxpk= 10, iat= 383, 381, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 137 SER HA 137 SER HN 6.00 (# 521:10 Unique 2.66, 2.74 A)
&rst
ixpk= 521, nxpk= 10, iat= 596, 594, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:522 137 SER HN 6.00 (# 522:10 Single Ambig)
&rst
ixpk= 522, nxpk= 10, iat= -1, 594, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 582, 583, 576, 577,
&end
#
# 0 AMB 10-2:523 142 LYS HN 6.00 (# 523:10 Single Ambig)
&rst
ixpk= 523, nxpk= 10, iat= -1, 667, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 680, 681, 680, 681,
&end
#
# 146 LYS HE+ 146 LYS HN 8.00 (# 524:10 Unique 4.36, 5.32 A)
&rst
ixpk= 524, nxpk= 10, iat= -1, 738, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 751, 752,
&end
#
# 149 GLY HA- 148 SER HN 6.00 (# 525:10 Unique 4.30, 4.87 A)
&rst
ixpk= 525, nxpk= 10, iat= -1, 775, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 788, 789,
&end
#
# 152 ILE QG2 152 ILE HN 8.00 (# 526:10 Unique 2.14, 4.48 A)
&rst
ixpk= 526, nxpk= 10, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 833, 834, 835,
&end
#
# 0 AMB 10-2:527 152 ILE HN 8.00 (# 527:10 Single Ambig)
&rst
ixpk= 527, nxpk= 10, iat= -1, 827, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 816, 817, 249, 250,
&end
#
# 0 AMB 10-2:528 152 ILE HN 6.00 (# 528:10 Single Ambig)
&rst
ixpk= 528, nxpk= 10, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 727, 728, 819, 820,
&end
#
# 151 GLU HA 152 ILE HN 4.50 (# 529:10 Unique 2.15, 2.31 A)
&rst
ixpk= 529, nxpk= 10, iat= 814, 827, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:530 154 ASN HN 8.00 (# 530:10 Single Ambig)
&rst
ixpk= 530, nxpk= 10, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1954, 856,
&end
#
# 0 AMB 10-2:531 154 ASN HN 6.00 (# 531:10 Single Ambig)
&rst
ixpk= 531, nxpk= 10, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 850, 851,1914,
&end
#
# 153 PRO HB+ 154 ASN HN 6.00 (# 532:10 Unique 2.27, 2.72 A)
&rst
ixpk= 532, nxpk= 10, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 853, 854,
&end
#
# 159 MET HB- 159 MET HN 6.00 (# 533:10 Unique 2.36, 3.00 A)
&rst
ixpk= 533, nxpk= 10, iat= -1, 939, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 943, 944,
&end
#
# 0 AMB 10-2:534 163 ILE HN 4.50 (# 534:10 Single Ambig)
&rst
ixpk= 534, nxpk= 10, iat= -1,1003, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1016,1017,1018, 993, 994, 995, 997, 998, 999,
&end
#
# 0 AMB 10-2:535 164 LYS HN 8.00 (# 535:10 Single Ambig)
&rst
ixpk= 535, nxpk= 10, iat= -1,1022, r1= 1.30, r2= 1.80, r3=10.46, r4=10.96,
igr1= 960, 961,1115, 943, 944,
&end
#
# 163 ILE HN 164 LYS HN 6.00 (# 536:10 Unique 2.84, 2.93 A)
&rst
ixpk= 536, nxpk= 10, iat=1003,1022, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 166 TYR HN 164 LYS HN 6.00 (# 537:10 Unique 4.06, 4.23 A)
&rst
ixpk= 537, nxpk= 10, iat=1061,1022, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:538 0 AMB 10-1:538 6.00 (# 538:10 Double Ambig)
&rst
ixpk= 538, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 523, 524,1065,1066,
igr2= 519,1061,
&end
#
# 166 TYR HA 166 TYR HN 6.00 (# 539:10 Unique 2.97, 2.99 A)
&rst
ixpk= 539, nxpk= 10, iat=1063,1061, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 166 TYR HE 166 TYR HN 8.00 (# 540:10 Unique 4.96, 5.77 A)
&rst
ixpk= 540, nxpk= 10, iat= -1,1061, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1071,1076,
&end
#
# 0 AMB 10-2:541 166 TYR HN 6.00 (# 541:10 Single Ambig)
&rst
ixpk= 541, nxpk= 10, iat= -1,1061, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr1= 991,1117,1118,1119,1121,1122,1123,
&end
#
# 0 AMB 10-2:542 0 AMB 10-1:542 6.00 (# 542:10 Double Ambig)
&rst
ixpk= 542, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=1117,1118,1119,1121,1122,1123,1288,1289,1290,
igr2=1061, 519,
&end
#
# 0 AMB 10-2:543 0 AMB 10-1:543 6.00 (# 543:10 Double Ambig)
&rst
ixpk= 543, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 993, 994, 995, 997, 998, 999, 559, 560, 561,
igr2=1061, 519,
&end
#
# 0 AMB 10-2:544 0 AMB 10-1:544 6.00 (# 544:10 Double Ambig)
&rst
ixpk= 544, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1172,1173,1083,1084,
igr2=1149,1111,
&end
#
# 179 LEU HA 170 LYS HN 6.00 (# 545:10 Unique 3.35, 3.46 A)
&rst
ixpk= 545, nxpk= 10, iat=1296,1127, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:546 170 LYS HN 8.00 (# 546:10 Single Ambig)
&rst
ixpk= 546, nxpk= 10, iat= -1,1127, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1140,1141,1140,1141,
&end
#
# 0 AMB 10-2:547 170 LYS HN 8.00 (# 547:10 Single Ambig)
&rst
ixpk= 547, nxpk= 10, iat= -1,1127, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1258,1259,1065,1066,
&end
#
# 0 AMB 10-2:548 170 LYS HN 8.00 (# 548:10 Single Ambig)
&rst
ixpk= 548, nxpk= 10, iat= -1,1127, r1= 1.30, r2= 1.80, r3=10.46, r4=10.96,
igr1=1153,1154, 547, 548, 549,
&end
#
# 0 AMB 10-2:549 170 LYS HN 8.00 (# 549:10 Single Ambig)
&rst
ixpk= 549, nxpk= 10, iat= -1,1127, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=1317,1318,1100,1101,1178,1179,
&end
#
# 0 AMB 10-2:550 170 LYS HN 8.00 (# 550:10 Single Ambig)
&rst
ixpk= 550, nxpk= 10, iat= -1,1127, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=1317,1318,1100,1101, 988, 989,
&end
#
# 171 LYS HE+ 174 ARG HN 8.00 (# 551:10 Unique 5.05, 6.60 A)
&rst
ixpk= 551, nxpk= 10, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1162,1163,
&end
#
# 174 ARG HD- 174 ARG HN 6.00 (# 552:10 Unique 3.99, 4.73 A)
&rst
ixpk= 552, nxpk= 10, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1216,1217,
&end
#
# 175 GLY HA- 175 GLY HN 6.00 (# 553:10 Unique 2.28, 2.60 A)
&rst
ixpk= 553, nxpk= 10, iat= -1,1230, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1232,1233,
&end
#
# 175 GLY HA+ 175 GLY HN 6.00 (# 554:10 Unique 2.28, 2.60 A)
&rst
ixpk= 554, nxpk= 10, iat= -1,1230, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1232,1233,
&end
#
# 0 AMB 10-2:555 177 TYR HN 6.00 (# 555:10 Single Ambig)
&rst
ixpk= 555, nxpk= 10, iat= -1,1254, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 545,1277,
&end
#
# 177 TYR HA 177 TYR HN 8.00 (# 556:10 Unique 2.98, 2.98 A)
&rst
ixpk= 556, nxpk= 10, iat=1256,1254, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 176 GLN HN 177 TYR HN 6.00 (# 557:10 Unique 4.22, 4.29 A)
&rst
ixpk= 557, nxpk= 10, iat=1237,1254, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 177 TYR HB+ 177 TYR HN 6.00 (# 558:10 Unique 2.54, 3.19 A)
&rst
ixpk= 558, nxpk= 10, iat= -1,1254, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1258,1259,
&end
#
# 0 AMB 10-2:559 177 TYR HN 6.00 (# 559:10 Single Ambig)
&rst
ixpk= 559, nxpk= 10, iat= -1,1254, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1244,1245, 943, 944,
&end
#
# 0 AMB 10-2:560 177 TYR HN 8.00 (# 560:10 Single Ambig)
&rst
ixpk= 560, nxpk= 10, iat= -1,1254, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 557, 579, 580,
&end
#
# 176 GLN HB- 177 TYR HN 6.00 (# 561:10 Unique 3.09, 3.73 A)
&rst
ixpk= 561, nxpk= 10, iat= -1,1254, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1241,1242,
&end
#
# 140 LEU HB- 177 TYR HN 8.00 (# 562:10 Unique 5.45, 5.82 A)
&rst
ixpk= 562, nxpk= 10, iat= -1,1254, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 635, 636,
&end
#
# 0 AMB 10-2:563 178 ILE HN 8.00 (# 563:10 Single Ambig)
&rst
ixpk= 563, nxpk= 10, iat= -1,1275, r1= 1.30, r2= 1.80, r3=11.06, r4=11.56,
igr1=1134,1135,1178,1179,1137,1138,1301,
&end
#
# 0 AMB 10-2:564 178 ILE HN 8.00 (# 564:10 Single Ambig)
&rst
ixpk= 564, nxpk= 10, iat= -1,1275, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1=1134,1135, 557,
&end
#
# 0 AMB 10-2:565 178 ILE HN 8.00 (# 565:10 Single Ambig)
&rst
ixpk= 565, nxpk= 10, iat= -1,1275, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1285,1286,1156,1157,
&end
#
# 0 AMB 10-2:566 179 LEU HN 3.50 (# 566:10 Single Ambig)
&rst
ixpk= 566, nxpk= 10, iat= -1,1294, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1281,1282,1283,1303,1304,1305,1307,1308,1309,1303,
1304,1305,1307,1308,1309,1117,1118,1119,1121,1122,
1123,
&end
#
# 0 AMB 10-2:567 179 LEU HN 3.50 (# 567:10 Single Ambig)
&rst
ixpk= 567, nxpk= 10, iat= -1,1294, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 445, 446, 447, 449, 450, 451,1288,1289,1290,1117,
1118,1119,1121,1122,1123,
&end
#
# 178 ILE HG1+ 179 LEU HN 6.00 (# 568:10 Unique 2.21, 2.50 A)
&rst
ixpk= 568, nxpk= 10, iat= -1,1294, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1285,1286,
&end
#
# 178 ILE HG1- 179 LEU HN 4.50 (# 569:10 Unique 2.21, 2.50 A)
&rst
ixpk= 569, nxpk= 10, iat= -1,1294, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1285,1286,
&end
#
# 0 AMB 10-2:570 179 LEU HN 6.00 (# 570:10 Single Ambig)
&rst
ixpk= 570, nxpk= 10, iat= -1,1294, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1301,1137,1138, 537, 538, 539,1134,1135,
&end
#
# 178 ILE HB 179 LEU HN 6.00 (# 571:10 Unique 3.99, 4.06 A)
&rst
ixpk= 571, nxpk= 10, iat=1279,1294, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 179 LEU HB- 179 LEU HN 4.50 (# 572:10 Unique 2.53, 2.96 A)
&rst
ixpk= 572, nxpk= 10, iat= -1,1294, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1298,1299,
&end
#
# 0 AMB 10-2:573 179 LEU HN 4.50 (# 573:10 Single Ambig)
&rst
ixpk= 573, nxpk= 10, iat= -1,1294, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1277, 535,
&end
#
# 0 AMB 10-2:574 179 LEU HN 6.00 (# 574:10 Single Ambig)
&rst
ixpk= 574, nxpk= 10, iat= -1,1294, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1296, 521,
&end
#
# 0 AMB 10-2:575 180 GLU HN 2.80 (# 575:10 Single Ambig)
&rst
ixpk= 575, nxpk= 10, iat= -1,1313, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1303,1304,1305,1307,1308,1309,1303,1304,1305,1307,
1308,1309,
&end
#
# 179 LEU HB+ 180 GLU HN 4.50 (# 576:10 Unique 3.98, 4.30 A)
&rst
ixpk= 576, nxpk= 10, iat= -1,1313, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1298,1299,
&end
#
# 0 AMB 10-2:577 180 GLU HN 4.50 (# 577:10 Single Ambig)
&rst
ixpk= 577, nxpk= 10, iat= -1,1313, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1301,1137,1138,
&end
#
# 0 AMB 10-2:578 180 GLU HN 3.50 (# 578:10 Single Ambig)
&rst
ixpk= 578, nxpk= 10, iat= -1,1313, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1317,1318,1100,1101,
&end
#
# 0 AMB 10-2:579 180 GLU HN 4.50 (# 579:10 Single Ambig)
&rst
ixpk= 579, nxpk= 10, iat= -1,1313, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1298,1299,1131,1132,
&end
#
# 0 AMB 10-2:580 180 GLU HN 3.50 (# 580:10 Single Ambig)
&rst
ixpk= 580, nxpk= 10, iat= -1,1313, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1317,1318,1100,1101,
&end
#
# 180 GLU HG+ 180 GLU HN 4.50 (# 581:10 Unique 2.48, 3.28 A)
&rst
ixpk= 581, nxpk= 10, iat= -1,1313, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1320,1321,
&end
#
# 0 AMB 10-2:582 180 GLU HN 6.00 (# 582:10 Single Ambig)
&rst
ixpk= 582, nxpk= 10, iat= -1,1313, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1098,1330,1331,
&end
#
# 169 VAL HA 180 GLU HN 6.00 (# 583:10 Unique 3.40, 3.58 A)
&rst
ixpk= 583, nxpk= 10, iat=1113,1313, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 179 LEU HA 180 GLU HN 3.50 (# 584:10 Unique 2.09, 2.16 A)
&rst
ixpk= 584, nxpk= 10, iat=1296,1313, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 183 ILE HG1- 185 SER HN 8.00 (# 585:10 Unique 3.00, 5.89 A)
&rst
ixpk= 585, nxpk= 10, iat= -1,1384, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1360,1361,
&end
#
# 155 MET HA 158 PHE HN 6.00 (# 586:10 Unique 3.43, 3.65 A)
&rst
ixpk= 586, nxpk= 10, iat= 876, 919, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 158 PHE HE 158 PHE HN 8.00 (# 587:10 Unique 5.91, 6.96 A)
&rst
ixpk= 587, nxpk= 10, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 929, 933,
&end
#
# 0 AMB 10-2:588 158 PHE HN 8.00 (# 588:10 Single Ambig)
&rst
ixpk= 588, nxpk= 10, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 927, 935, 860,
&end
#
# 157 THR HN 158 PHE HN 6.00 (# 589:10 Unique 2.62, 2.73 A)
&rst
ixpk= 589, nxpk= 10, iat= 905, 919, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 142 LYS HB+ 142 LYS HN 3.50 (# 590:10 Unique 2.38, 3.05 A)
&rst
ixpk= 590, nxpk= 10, iat= -1, 667, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 671, 672,
&end
#
# 0 AMB 10-2:591 181 GLY HN 4.50 (# 591:10 Single Ambig)
&rst
ixpk= 591, nxpk= 10, iat= -1,1328, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1320,1321,1342,1343,
&end
#
# 186 LEU HB- 187 GLU HN 4.50 (# 592:10 Unique 2.70, 3.86 A)
&rst
ixpk= 592, nxpk= 10, iat= -1,1414, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1399,1400,
&end
#
# 121 ARG HA 125 ILE HN 6.00 (# 593:10 Unique 3.83, 4.07 A)
&rst
ixpk= 593, nxpk= 10, iat= 324, 381, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 122 GLU HA 125 ILE HN 6.00 (# 594:10 Unique 3.46, 3.93 A)
&rst
ixpk= 594, nxpk= 10, iat= 348, 381, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 136 LYS HG+ 176 GLN HE2- 8.00 (# 595:10 Unique 3.00, 5.57 A)
&rst
ixpk= 595, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 579, 580,
igr2=1249,1250,
&end
#
# 173 TYR HB+ 176 GLN HE2- 6.00 (# 596:10 Unique 2.80, 4.88 A)
&rst
ixpk= 596, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1189,1190,
igr2=1249,1250,
&end
#
# 176 GLN HG+ 176 GLN HE2- 2.80 (# 597:10 Unique 2.33, 3.16 A)
&rst
ixpk= 597, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1244,1245,
igr2=1249,1250,
&end
#
# 0 AMB 10-2:598 176 GLN HE2- 3.50 (# 598:10 Single Ambig)
&rst
ixpk= 598, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1244,1245, 576, 577,
igr2=1249,1250,
&end
#
# 176 GLN HB+ 176 GLN HE2- 6.00 (# 599:10 Unique 2.95, 4.56 A)
&rst
ixpk= 599, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1241,1242,
igr2=1249,1250,
&end
#
# 173 TYR HB- 176 GLN HE2- 6.00 (# 600:10 Unique 2.80, 4.88 A)
&rst
ixpk= 600, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1189,1190,
igr2=1249,1250,
&end
#
# 0 AMB 10-2:601 176 GLN HE2- 6.00 (# 601:10 Single Ambig)
&rst
ixpk= 601, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 582, 583,1210,1211,
igr2=1249,1250,
&end
#
# 0 AMB 10-2:602 176 GLN HE2- 8.00 (# 602:10 Single Ambig)
&rst
ixpk= 602, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1= 585, 586, 585, 586,
igr2=1249,1250,
&end
#
# 0 AMB 10-2:603 176 GLN HE2- 6.00 (# 603:10 Single Ambig)
&rst
ixpk= 603, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1241,1242, 576, 577,
igr2=1249,1250,
&end
#
# 0 AMB 10-2:604 0 AMB 10-1:604 6.00 (# 604:10 Double Ambig)
&rst
ixpk= 604, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1241,1242, 576, 577,
igr2=1249,1250,1249,1250,
&end
#
# 176 GLN HG+ 176 GLN HE2+ 3.50 (# 605:10 Unique 2.33, 3.16 A)
&rst
ixpk= 605, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1244,1245,
igr2=1249,1250,
&end
#
# 136 LYS HG+ 176 GLN HE2+ 8.00 (# 606:10 Unique 3.00, 5.57 A)
&rst
ixpk= 606, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 579, 580,
igr2=1249,1250,
&end
#
# 176 GLN HB+ 176 GLN HE2+ 6.00 (# 607:10 Unique 2.95, 4.56 A)
&rst
ixpk= 607, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1241,1242,
igr2=1249,1250,
&end
#
# 0 AMB 10-2:608 0 AMB 10-1:608 3.50 (# 608:10 Double Ambig)
&rst
ixpk= 608, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1244,1245, 576, 577,
igr2=1249,1250,1249,1250,
&end
#
# 173 TYR HB+ 176 GLN HE2+ 6.00 (# 609:10 Unique 2.80, 4.88 A)
&rst
ixpk= 609, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1189,1190,
igr2=1249,1250,
&end
#
# 173 TYR HB- 176 GLN HE2+ 8.00 (# 610:10 Unique 2.80, 4.88 A)
&rst
ixpk= 610, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1189,1190,
igr2=1249,1250,
&end
#
# 0 AMB 10-2:611 0 AMB 10-1:611 6.00 (# 611:10 Double Ambig)
&rst
ixpk= 611, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 582, 583,1241,1242, 576, 577,
igr2=1249,1250,1249,1250,1249,1250,
&end
#
# 173 TYR HB- 176 GLN HE2+ 6.00 (# 612:10 Unique 2.80, 4.88 A)
&rst
ixpk= 612, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1189,1190,
igr2=1249,1250,
&end
#
# 136 LYS HG+ 176 GLN HE2+ 8.00 (# 613:10 Unique 3.00, 5.57 A)
&rst
ixpk= 613, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 579, 580,
igr2=1249,1250,
&end
#
# 134 ALA MB 176 GLN HE2+ 8.00 (# 614:10 Unique 6.47, 7.96 A)
&rst
ixpk= 614, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 547, 548, 549,
igr2=1249,1250,
&end
#
# 0 AMB 10-2:615 148 SER HN 3.50 (# 615:10 Single Ambig)
&rst
ixpk= 615, nxpk= 10, iat= -1, 775, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 760, 738,
&end
#
# 150 LEU HN 148 SER HN 8.00 (# 616:10 Unique 3.52, 3.96 A)
&rst
ixpk= 616, nxpk= 10, iat= 793, 775, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 10-2:617 152 ILE HN 8.00 (# 617:10 Single Ambig)
&rst
ixpk= 617, nxpk= 10, iat= -1, 827, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04,
igr1= 840, 841, 842, 312, 313, 314, 316, 317, 318,
&end
#
# 173 TYR HD 176 GLN HE2- 8.00 (# 618:10 Unique 3.03, 5.30 A)
&rst
ixpk= 618, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1193,1202,
igr2=1249,1250,
&end
#
# 177 TYR HN 176 GLN HE2- 8.00 (# 619:10 Unique 6.58, 7.29 A)
&rst
ixpk= 619, nxpk= 10, iat=1254, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1249,1250,
&end
#
# 0 AMB 10-2:620 130 ARG HN 3.50 (# 620:10 Single Ambig)
&rst
ixpk= 620, nxpk= 10, iat= -1, 477, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 481, 482, 459, 460, 459, 460,
&end
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