NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
632051 |
5zuz   |
36187 | cing | 1-original | 4 | AMBER | distance | NOE | simple |
# ':20' and ':10' represent restraints generated from cnoesy.xpk and nnoesy.xpk, respectively.
# 0 AMB 20-2:0 0 AMB 20-1:0 2.80 (# 0:20 Double Ambig)
&rst
ixpk= 0, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr1= 114, 231, 227, 228, 229, 110, 111, 112,
igr2= 108, 225,
&end
#
# 0 AMB 20-2:1 0 AMB 20-1:1 6.00 (# 1:20 Double Ambig)
&rst
ixpk= 1, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
igr1= 912, 913, 502, 503, 915, 916, 466, 467, 826, 827,
igr2= 971, 488,
&end
#
# 128 LEU HG 127 THR HB 4.50 (# 2:20 Unique 3.00, 3.28 A)
&rst
ixpk= 2, nxpk= 20, iat= 505, 488, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:3 127 THR HB 6.00 (# 3:20 Single Ambig)
&rst
ixpk= 3, nxpk= 20, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 502, 503, 427, 428, 429,
&end
#
# 140 LEU MDX 127 THR HB 4.50 (# 4:20 Unique 2.56, 4.63 A)
&rst
ixpk= 4, nxpk= 20, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 702, 703, 704, 706, 707, 708,
&end
#
# 0 AMB 20-2:5 127 THR HB 6.00 (# 5:20 Single Ambig)
&rst
ixpk= 5, nxpk= 20, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 507, 508, 509, 511, 512, 513,1055,1056,1057,1059,
1060,1061,
&end
#
# 0 AMB 20-2:6 0 AMB 20-1:6 4.50 (# 6:20 Double Ambig)
&rst
ixpk= 6, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 776, 777, 912, 913,1022,1023,
igr2= 488, 971,
&end
#
# 0 AMB 20-2:7 156 THR HB 2.80 (# 7:20 Single Ambig)
&rst
ixpk= 7, nxpk= 20, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 963, 959, 960, 961,
&end
#
# 160 GLN HB- 157 THR HB 6.00 (# 8:20 Unique 5.13, 6.16 A)
&rst
ixpk= 8, nxpk= 20, iat= -1, 971, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1022,1023,
&end
#
# 154 ASN HB- 157 THR HB 4.50 (# 9:20 Unique 2.47, 3.45 A)
&rst
ixpk= 9, nxpk= 20, iat= -1, 971, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 926, 927,
&end
#
# 0 AMB 20-2:10 0 AMB 20-1:10 2.80 (# 10:20 Double Ambig)
&rst
ixpk= 10, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 494, 977, 490, 491, 492, 973, 974, 975,
igr2= 488, 971,
&end
#
# 0 AMB 20-2:11 156 THR HA 4.50 (# 11:20 Single Ambig)
&rst
ixpk= 11, nxpk= 20, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1005,1006, 940, 941, 940, 941,
&end
#
# 0 AMB 20-2:12 156 THR HA 2.80 (# 12:20 Single Ambig)
&rst
ixpk= 12, nxpk= 20, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 959, 960, 961, 963,
&end
#
# 0 AMB 20-2:13 127 THR HA 6.00 (# 13:20 Single Ambig)
&rst
ixpk= 13, nxpk= 20, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 755, 756, 755, 756, 829, 830,
&end
#
# 130 ARG HB+ 127 THR HA 4.50 (# 14:20 Unique 2.44, 3.36 A)
&rst
ixpk= 14, nxpk= 20, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 543, 544,
&end
#
# 0 AMB 20-2:15 127 THR HA 4.50 (# 15:20 Single Ambig)
&rst
ixpk= 15, nxpk= 20, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 546, 547, 466, 467,
&end
#
# 0 AMB 20-2:16 127 THR HA 4.50 (# 16:20 Single Ambig)
&rst
ixpk= 16, nxpk= 20, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 546, 547, 524, 525,
&end
#
# 0 AMB 20-2:17 127 THR HA 8.00 (# 17:20 Single Ambig)
&rst
ixpk= 17, nxpk= 20, iat= -1, 486, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 469, 470, 502, 503,
&end
#
# 0 AMB 20-2:18 127 THR HA 2.80 (# 18:20 Single Ambig)
&rst
ixpk= 18, nxpk= 20, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 490, 491, 492, 494,
&end
#
# 140 LEU MDX 127 THR HA 6.00 (# 19:20 Unique 5.18, 7.18 A)
&rst
ixpk= 19, nxpk= 20, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 702, 703, 704, 706, 707, 708,
&end
#
# 0 AMB 20-2:20 144 ILE HA 4.50 (# 20:20 Single Ambig)
&rst
ixpk= 20, nxpk= 20, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 826, 827, 829, 830,
&end
#
# 144 ILE HG1- 144 ILE HA 4.50 (# 21:20 Unique 2.38, 2.64 A)
&rst
ixpk= 21, nxpk= 20, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 776, 777,
&end
#
# 144 ILE HB 144 ILE HA 4.50 (# 22:20 Unique 3.03, 3.03 A)
&rst
ixpk= 22, nxpk= 20, iat= 770, 768, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 123 ALA MB 144 ILE HA 4.50 (# 23:20 Unique 2.13, 3.18 A)
&rst
ixpk= 23, nxpk= 20, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 427, 428, 429,
&end
#
# 0 AMB 20-2:24 144 ILE HA 8.00 (# 24:20 Single Ambig)
&rst
ixpk= 24, nxpk= 20, iat= -1, 768, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 494, 490, 491, 492,
&end
#
# 147 GLU HB+ 144 ILE HA 4.50 (# 25:20 Unique 2.68, 3.64 A)
&rst
ixpk= 25, nxpk= 20, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 826, 827,
&end
#
# 144 ILE QG2 144 ILE HA 3.20 (# 26:20 Unique 2.56, 3.31 A)
&rst
ixpk= 26, nxpk= 20, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1= 772, 773, 774,
&end
#
# 144 ILE HG1+ 144 ILE HA 4.50 (# 27:20 Unique 2.38, 2.64 A)
&rst
ixpk= 27, nxpk= 20, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 776, 777,
&end
#
# 160 GLN HG- 157 THR HA 4.50 (# 28:20 Unique 3.61, 4.50 A)
&rst
ixpk= 28, nxpk= 20, iat= -1, 969, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1025,1026,
&end
#
# 119 LYS HB- 0 AMB 20-1:29 4.50 (# 29:20 Single Ambig)
&rst
ixpk= 29, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 347, 348,
igr2= 841, 842, 841, 842,
&end
#
# 160 GLN HG+ 157 THR HA 4.50 (# 30:20 Unique 3.61, 4.50 A)
&rst
ixpk= 30, nxpk= 20, iat= -1, 969, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1025,1026,
&end
#
# 160 GLN HB- 157 THR HA 3.20 (# 31:20 Unique 2.41, 3.40 A)
&rst
ixpk= 31, nxpk= 20, iat= -1, 969, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1022,1023,
&end
#
# 160 GLN HB+ 157 THR HA 3.20 (# 32:20 Unique 2.41, 3.40 A)
&rst
ixpk= 32, nxpk= 20, iat= -1, 969, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1022,1023,
&end
#
# 0 AMB 20-2:33 157 THR HA 2.80 (# 33:20 Single Ambig)
&rst
ixpk= 33, nxpk= 20, iat= -1, 969, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 973, 974, 975, 977,
&end
#
# 0 AMB 20-2:34 0 AMB 20-1:34 6.00 (# 34:20 Double Ambig)
&rst
ixpk= 34, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 829, 830, 826, 827,
igr2= 841, 842, 841, 842, 841, 842,
&end
#
# 0 AMB 20-2:35 0 AMB 20-1:35 6.00 (# 35:20 Double Ambig)
&rst
ixpk= 35, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 347, 348, 347, 348,
igr2= 841, 842, 841, 842,
&end
#
# 0 AMB 20-2:36 0 AMB 20-1:36 2.80 (# 36:20 Double Ambig)
&rst
ixpk= 36, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 427, 428, 429, 350, 351, 350, 351,
igr2= 841, 842, 841, 842, 841, 842,
&end
#
# 150 LEU MDY 0 AMB 20-1:37 3.50 (# 37:20 Single Ambig)
&rst
ixpk= 37, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 864, 865, 866, 868, 869, 870,
igr2= 841, 842, 841, 842,
&end
#
# 144 ILE QG2 0 AMB 20-1:38 4.50 (# 38:20 Single Ambig)
&rst
ixpk= 38, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 772, 773, 774,
igr2= 841, 842, 841, 842,
&end
#
# 150 LEU HB- 0 AMB 20-1:39 6.00 (# 39:20 Single Ambig)
&rst
ixpk= 39, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 859, 860,
igr2= 841, 842, 841, 842,
&end
#
# 120 LEU MDX 0 AMB 20-1:40 3.50 (# 40:20 Single Ambig)
&rst
ixpk= 40, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 374, 375, 376, 378, 379, 380,
igr2= 841, 842, 841, 842,
&end
#
# 153 PRO HB- 153 PRO HA 2.80 (# 41:20 Unique 2.27, 2.61 A)
&rst
ixpk= 41, nxpk= 20, iat= -1, 918, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 915, 916,
&end
#
# 153 PRO HG+ 153 PRO HA 3.50 (# 42:20 Unique 2.83, 3.64 A)
&rst
ixpk= 42, nxpk= 20, iat= -1, 918, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 912, 913,
&end
#
# 0 AMB 20-2:43 153 PRO HA 2.80 (# 43:20 Single Ambig)
&rst
ixpk= 43, nxpk= 20, iat= -1, 918, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 915, 916, 912, 913,
&end
#
# 0 AMB 20-2:44 153 PRO HA 6.00 (# 44:20 Single Ambig)
&rst
ixpk= 44, nxpk= 20, iat= -1, 918, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 878, 879, 878, 879,
&end
#
# 0 AMB 20-2:45 153 PRO HA 6.00 (# 45:20 Single Ambig)
&rst
ixpk= 45, nxpk= 20, iat= -1, 918, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 895, 896, 897, 374, 375, 376, 378, 379, 380,
&end
#
# 111 ALA MB 115 SER HB- 8.00 (# 46:20 Unique 2.72, 6.25 A)
&rst
ixpk= 46, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 239, 240, 241,
igr2= 294, 295,
&end
#
# 0 AMB 20-2:47 115 SER HB- 6.00 (# 47:20 Single Ambig)
&rst
ixpk= 47, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 249, 250, 305, 306, 347, 348,
igr2= 294, 295,
&end
#
# 118 ALA MB 115 SER HB- 4.50 (# 48:20 Unique 2.31, 4.29 A)
&rst
ixpk= 48, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 337, 338, 339,
igr2= 294, 295,
&end
#
# 0 AMB 20-2:49 0 AMB 20-1:49 6.00 (# 49:20 Double Ambig)
&rst
ixpk= 49, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 249, 250, 305, 306, 347, 348,
igr2= 294, 295, 294, 295, 294, 295,
&end
#
# 112 ARG HB- 115 SER HB+ 6.00 (# 50:20 Unique 3.68, 6.12 A)
&rst
ixpk= 50, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 249, 250,
igr2= 294, 295,
&end
#
# 118 ALA MB 115 SER HB+ 4.50 (# 51:20 Unique 2.31, 4.29 A)
&rst
ixpk= 51, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 337, 338, 339,
igr2= 294, 295,
&end
#
# 0 AMB 20-2:52 172 PRO HA 4.50 (# 52:20 Single Ambig)
&rst
ixpk= 52, nxpk= 20, iat= -1,1243, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1237,1238,1193,1194,1193,1194,
&end
#
# 0 AMB 20-2:53 172 PRO HA 6.00 (# 53:20 Single Ambig)
&rst
ixpk= 53, nxpk= 20, iat= -1,1243, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1237,1238,1199,1200,
&end
#
# 0 AMB 20-2:54 172 PRO HA 3.50 (# 54:20 Single Ambig)
&rst
ixpk= 54, nxpk= 20, iat= -1,1243, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1240,1241,1196,1197,
&end
#
# 172 PRO HB- 172 PRO HA 2.80 (# 55:20 Unique 2.28, 2.58 A)
&rst
ixpk= 55, nxpk= 20, iat= -1,1243, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1240,1241,
&end
#
# 0 AMB 20-2:56 0 AMB 20-1:56 6.00 (# 56:20 Double Ambig)
&rst
ixpk= 56, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1461,1462,1463,1497,1498,1499,
igr2=1450,1451,1486,1487,
&end
#
# 0 AMB 20-2:57 0 AMB 20-1:57 6.00 (# 57:20 Double Ambig)
&rst
ixpk= 57, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1=1471,1472,1471,1472,1435,1436,
igr2=1450,1451,1486,1487,1450,1451,
&end
#
# 0 AMB 20-2:58 0 AMB 20-1:58 6.00 (# 58:20 Double Ambig)
&rst
ixpk= 58, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1471,1472,1471,1472,1435,1436,
igr2=1450,1451,1486,1487,
&end
#
# 0 AMB 20-2:59 0 AMB 20-1:59 6.00 (# 59:20 Double Ambig)
&rst
ixpk= 59, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1=1461,1462,1463,1497,1498,1499,
igr2=1450,1451,1486,1487,1486,1487,
&end
#
# 169 VAL HB 163 ILE HA 4.50 (# 60:20 Unique 2.29, 2.53 A)
&rst
ixpk= 60, nxpk= 20, iat=1177,1067, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:61 163 ILE HA 3.50 (# 61:20 Single Ambig)
&rst
ixpk= 61, nxpk= 20, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1069,1050,1051,
&end
#
# 163 ILE HG1- 163 ILE HA 3.50 (# 62:20 Unique 2.29, 2.61 A)
&rst
ixpk= 62, nxpk= 20, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1075,1076,
&end
#
# 163 ILE HG1+ 163 ILE HA 3.50 (# 63:20 Unique 2.29, 2.61 A)
&rst
ixpk= 63, nxpk= 20, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1075,1076,
&end
#
# 169 VAL MGX 163 ILE HA 6.00 (# 64:20 Unique 3.49, 4.66 A)
&rst
ixpk= 64, nxpk= 20, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1179,1180,1181,1183,1184,1185,
&end
#
# 167 PRO HB- 167 PRO HA 3.50 (# 65:20 Unique 2.29, 2.66 A)
&rst
ixpk= 65, nxpk= 20, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1151,1152,
&end
#
# 0 AMB 20-2:66 167 PRO HA 4.50 (# 66:20 Single Ambig)
&rst
ixpk= 66, nxpk= 20, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1151,1152,1148,1149,
&end
#
# 163 ILE QG2 167 PRO HA 6.00 (# 67:20 Unique 2.97, 4.22 A)
&rst
ixpk= 67, nxpk= 20, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1071,1072,1073,
&end
#
# 113 PRO HB- 113 PRO HA 2.80 (# 68:20 Unique 2.29, 2.62 A)
&rst
ixpk= 68, nxpk= 20, iat= -1, 279, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 276, 277,
&end
#
# 113 PRO HG- 113 PRO HA 3.50 (# 69:20 Unique 2.78, 3.62 A)
&rst
ixpk= 69, nxpk= 20, iat= -1, 279, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 273, 274,
&end
#
# 118 ALA MB 113 PRO HA 6.00 (# 70:20 Unique 2.45, 4.92 A)
&rst
ixpk= 70, nxpk= 20, iat= -1, 279, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 337, 338, 339,
&end
#
# 0 AMB 20-2:71 113 PRO HA 8.00 (# 71:20 Single Ambig)
&rst
ixpk= 71, nxpk= 20, iat= -1, 279, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 252, 253, 252, 253,
&end
#
# 0 AMB 20-2:72 169 VAL HA 8.00 (# 72:20 Single Ambig)
&rst
ixpk= 72, nxpk= 20, iat= -1,1175, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1360,1361,1075,1076,
&end
#
# 0 AMB 20-2:73 169 VAL HA 2.80 (# 73:20 Single Ambig)
&rst
ixpk= 73, nxpk= 20, iat= -1,1175, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1179,1180,1181,1183,1184,1185,1365,1366,1367,1369,
1370,1371,
&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= 9.42, r4= 9.92,
igr1=1177,1165,1166,1320,1321,
igr2=1175, 660, 661,
&end
#
# 0 AMB 20-2:75 0 AMB 20-1:75 4.50 (# 75:20 Double Ambig)
&rst
ixpk= 75, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1=1360,1361,1193,1194,1193,1194, 644, 645, 644, 645,
igr2=1175, 660, 661, 660, 661,
&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= 7.47, r4= 7.97,
igr1=1363,1196,1197,1199,1200, 641, 642,
igr2=1175, 660, 661,
&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= 9.42, r4= 9.92,
igr1=1012,1013,1014,1162,1163,
igr2= 660, 661,1175,
&end
#
# 0 AMB 20-2:78 137 SER HB- 6.00 (# 78:20 Single Ambig)
&rst
ixpk= 78, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 943, 944, 943, 944,
igr2= 660, 661,
&end
#
# 0 AMB 20-2:79 103 THR HA 3.20 (# 79:20 Single Ambig)
&rst
ixpk= 79, nxpk= 20, iat= -1, 92, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 100, 96, 97, 98, 110, 111, 112,
&end
#
# 140 LEU MDX 137 SER HA 6.00 (# 80:20 Unique 2.70, 5.19 A)
&rst
ixpk= 80, nxpk= 20, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 702, 703, 704, 706, 707, 708,
&end
#
# 0 AMB 20-2:81 161 SER HB- 6.00 (# 81:20 Single Ambig)
&rst
ixpk= 81, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1113,1114,1022,1023,
igr2=1039,1040,
&end
#
# 0 AMB 20-2:82 161 SER HB- 6.00 (# 82:20 Single Ambig)
&rst
ixpk= 82, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1022,1023, 391, 392,
igr2=1039,1040,
&end
#
# 0 AMB 20-2:83 125 ILE HA 3.50 (# 83:20 Single Ambig)
&rst
ixpk= 83, nxpk= 20, iat= -1, 445, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 502, 503, 447,
&end
#
# 0 AMB 20-2:84 125 ILE HA 6.00 (# 84:20 Single Ambig)
&rst
ixpk= 84, nxpk= 20, iat= -1, 445, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 505, 437, 438, 439,
&end
#
# 128 LEU HB- 125 ILE HA 4.50 (# 85:20 Unique 2.40, 3.39 A)
&rst
ixpk= 85, nxpk= 20, iat= -1, 445, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 502, 503,
&end
#
# 125 ILE HG1- 125 ILE HA 4.50 (# 86:20 Unique 2.47, 3.14 A)
&rst
ixpk= 86, nxpk= 20, iat= -1, 445, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 453, 454,
&end
#
# 0 AMB 20-2:87 125 ILE HA 4.50 (# 87:20 Single Ambig)
&rst
ixpk= 87, nxpk= 20, iat= -1, 445, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 507, 508, 509, 511, 512, 513,1055,1056,1057,1059,
1060,1061,
&end
#
# 0 AMB 20-2:88 125 ILE HA 2.80 (# 88:20 Single Ambig)
&rst
ixpk= 88, nxpk= 20, iat= -1, 445, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 507, 508, 509, 511, 512, 513, 449, 450, 451,
&end
#
# 125 ILE QD1 125 ILE HA 3.50 (# 89:20 Unique 2.12, 3.53 A)
&rst
ixpk= 89, nxpk= 20, iat= -1, 445, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 456, 457, 458,
&end
#
# 159 MET ME 137 SER HA 3.50 (# 90:20 Unique 2.66, 4.21 A)
&rst
ixpk= 90, nxpk= 20, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1012,1013,1014,
&end
#
# 0 AMB 20-2:91 137 SER HA 6.00 (# 91:20 Single Ambig)
&rst
ixpk= 91, nxpk= 20, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 641, 642, 625, 626,
&end
#
# 140 LEU HB+ 137 SER HA 4.50 (# 92:20 Unique 2.27, 3.26 A)
&rst
ixpk= 92, nxpk= 20, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 697, 698,
&end
#
# 140 LEU HG 137 SER HA 6.00 (# 93:20 Unique 3.29, 4.44 A)
&rst
ixpk= 93, nxpk= 20, iat= 700, 658, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:94 0 AMB 20-1:94 6.00 (# 94:20 Double Ambig)
&rst
ixpk= 94, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.00, r4=12.50,
igr1=1094,1095,1094,1095,1094,1095,1110,1111,
igr2=1039,1040,1039,1040,1039,1040,1039,1040,
&end
#
# 160 GLN HB+ 161 SER HB+ 6.00 (# 95:20 Unique 4.34, 5.33 A)
&rst
ixpk= 95, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1022,1023,
igr2=1039,1040,
&end
#
# 0 AMB 20-2:96 0 AMB 20-1:96 6.00 (# 96:20 Double Ambig)
&rst
ixpk= 96, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1=1094,1095,1094,1095,1110,1111,
igr2=1039,1040,1039,1040,1039,1040,
&end
#
# 0 AMB 20-2:97 104 THR HA 3.20 (# 97:20 Single Ambig)
&rst
ixpk= 97, nxpk= 20, iat= -1, 106, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 110, 111, 112, 114, 96, 97, 98,
&end
#
# 0 AMB 20-2:98 161 SER HB- 6.00 (# 98:20 Single Ambig)
&rst
ixpk= 98, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1088,1089,1088,1089,
igr2=1039,1040,
&end
#
# 0 AMB 20-2:99 0 AMB 20-1:99 4.50 (# 99:20 Double Ambig)
&rst
ixpk= 99, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1088,1089,1088,1089,
igr2=1039,1040,1039,1040,
&end
#
# 0 AMB 20-2:100 0 AMB 20-1:100 6.00 (# 100:20 Double Ambig)
&rst
ixpk= 100, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 716, 717, 719, 720, 719, 720,
igr2= 671, 672, 671, 672, 671, 672,
&end
#
# 0 AMB 20-2:101 0 AMB 20-1:101 4.50 (# 101:20 Double Ambig)
&rst
ixpk= 101, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.25, r4=10.75,
igr1= 638, 639, 638, 639, 682, 683, 682, 683, 682, 683,
716, 717, 716, 717,
igr2= 671, 672, 671, 672, 671, 672, 671, 672, 671, 672,
&end
#
# 111 ALA MB 110 THR HA 6.00 (# 102:20 Unique 4.26, 5.35 A)
&rst
ixpk= 102, nxpk= 20, iat= -1, 223, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 239, 240, 241,
&end
#
# 0 AMB 20-2:103 110 THR HA 3.20 (# 103:20 Single Ambig)
&rst
ixpk= 103, nxpk= 20, iat= -1, 223, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 227, 228, 229, 231,
&end
#
# 141 GLN HB- 138 SER HA 3.50 (# 104:20 Unique 2.39, 3.21 A)
&rst
ixpk= 104, nxpk= 20, iat= -1, 669, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 716, 717,
&end
#
# 141 GLN HB+ 138 SER HA 3.20 (# 105:20 Unique 2.39, 3.21 A)
&rst
ixpk= 105, nxpk= 20, iat= -1, 669, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 716, 717,
&end
#
# 0 AMB 20-2:106 161 SER HA 2.80 (# 106:20 Single Ambig)
&rst
ixpk= 106, nxpk= 20, iat= -1,1037, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1088,1089,1088,1089,
&end
#
# 0 AMB 20-2:107 161 SER HA 3.50 (# 107:20 Single Ambig)
&rst
ixpk= 107, nxpk= 20, iat= -1,1037, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1094,1095,1094,1095,
&end
#
# 164 LYS HG+ 161 SER HA 4.50 (# 108:20 Unique 3.73, 4.80 A)
&rst
ixpk= 108, nxpk= 20, iat= -1,1037, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1091,1092,
&end
#
# 121 ARG HB+ 121 ARG HA 3.20 (# 109:20 Unique 2.33, 2.76 A)
&rst
ixpk= 109, nxpk= 20, iat= -1, 386, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 388, 389,
&end
#
# 0 AMB 20-2:110 121 ARG HA 3.50 (# 110:20 Single Ambig)
&rst
ixpk= 110, nxpk= 20, iat= -1, 386, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1055,1056,1057,1059,1060,1061,1055,1056,1057,1059,
1060,1061,
&end
#
# 124 ALA MB 121 ARG HA 3.50 (# 111:20 Unique 2.48, 3.58 A)
&rst
ixpk= 111, nxpk= 20, iat= -1, 386, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 437, 438, 439,
&end
#
# 121 ARG HG+ 121 ARG HA 3.50 (# 112:20 Unique 2.39, 2.92 A)
&rst
ixpk= 112, nxpk= 20, iat= -1, 386, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 391, 392,
&end
#
# 0 AMB 20-2:113 121 ARG HA 6.00 (# 113:20 Single Ambig)
&rst
ixpk= 113, nxpk= 20, iat= -1, 386, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1053, 772, 773, 774,
&end
#
# 0 AMB 20-2:114 0 AMB 20-1:114 6.00 (# 114:20 Double Ambig)
&rst
ixpk= 114, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1165,1166,1113,1114,1438,1439,1438,1439,
igr2=1414,1037,
&end
#
# 0 AMB 20-2:115 0 AMB 20-1:115 6.00 (# 115:20 Double Ambig)
&rst
ixpk= 115, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1162,1163,1435,1436,1022,1023,
igr2=1414,1037,
&end
#
# 183 ILE HG1- 183 ILE HA 4.50 (# 116:20 Unique 2.32, 3.03 A)
&rst
ixpk= 116, nxpk= 20, iat= -1,1414, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1422,1423,
&end
#
# 121 ARG HB- 121 ARG HA 3.50 (# 117:20 Unique 2.33, 2.76 A)
&rst
ixpk= 117, nxpk= 20, iat= -1, 386, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 388, 389,
&end
#
# 183 ILE HB 183 ILE HA 3.50 (# 118:20 Unique 2.31, 2.79 A)
&rst
ixpk= 118, nxpk= 20, iat=1416,1414, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 183 ILE HG1+ 183 ILE HA 4.50 (# 119:20 Unique 2.32, 3.03 A)
&rst
ixpk= 119, nxpk= 20, iat= -1,1414, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1422,1423,
&end
#
# 183 ILE QG2 183 ILE HA 3.20 (# 120:20 Unique 2.35, 3.40 A)
&rst
ixpk= 120, nxpk= 20, iat= -1,1414, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1=1418,1419,1420,
&end
#
# 183 ILE QD1 183 ILE HA 4.50 (# 121:20 Unique 2.23, 4.35 A)
&rst
ixpk= 121, nxpk= 20, iat= -1,1414, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1425,1426,1427,
&end
#
# 178 ILE HB 178 ILE HA 4.50 (# 122:20 Unique 2.52, 2.57 A)
&rst
ixpk= 122, nxpk= 20, iat=1341,1339, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 178 ILE HG1- 178 ILE HA 4.50 (# 123:20 Unique 2.23, 2.92 A)
&rst
ixpk= 123, nxpk= 20, iat= -1,1339, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1347,1348,
&end
#
# 178 ILE HG1+ 178 ILE HA 4.50 (# 124:20 Unique 2.23, 2.92 A)
&rst
ixpk= 124, nxpk= 20, iat= -1,1339, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1347,1348,
&end
#
# 0 AMB 20-2:125 178 ILE HA 6.00 (# 125:20 Single Ambig)
&rst
ixpk= 125, nxpk= 20, iat= -1,1339, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1=1343,1344,1345,1179,1180,1181,1183,1184,1185,1365,
1366,1367,1369,1370,1371,
&end
#
# 143 GLU HG+ 143 GLU HA 3.50 (# 126:20 Unique 2.26, 3.20 A)
&rst
ixpk= 126, nxpk= 20, iat= -1, 753, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 758, 759,
&end
#
# 143 GLU HG- 143 GLU HA 3.20 (# 127:20 Unique 2.26, 3.20 A)
&rst
ixpk= 127, nxpk= 20, iat= -1, 753, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 758, 759,
&end
#
# 0 AMB 20-2:128 143 GLU HA 2.80 (# 128:20 Single Ambig)
&rst
ixpk= 128, nxpk= 20, iat= -1, 753, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 755, 756, 755, 756,
&end
#
# 0 AMB 20-2:129 143 GLU HA 3.20 (# 129:20 Single Ambig)
&rst
ixpk= 129, nxpk= 20, iat= -1, 753, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 804, 805, 804, 805,
&end
#
# 0 AMB 20-2:130 143 GLU HA 6.00 (# 130:20 Single Ambig)
&rst
ixpk= 130, nxpk= 20, iat= -1, 753, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 810, 811, 739, 740, 739, 740,
&end
#
# 0 AMB 20-2:131 143 GLU HA 6.00 (# 131:20 Single Ambig)
&rst
ixpk= 131, nxpk= 20, iat= -1, 753, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 490, 491, 492, 494,
&end
#
# 146 LYS HG+ 143 GLU HA 4.50 (# 132:20 Unique 3.95, 4.74 A)
&rst
ixpk= 132, nxpk= 20, iat= -1, 753, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 807, 808,
&end
#
# 0 AMB 20-2:133 116 LYS HA 3.50 (# 133:20 Single Ambig)
&rst
ixpk= 133, nxpk= 20, iat= -1, 303, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 305, 306, 347, 348,
&end
#
# 0 AMB 20-2:134 116 LYS HA 2.80 (# 134:20 Single Ambig)
&rst
ixpk= 134, nxpk= 20, iat= -1, 303, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 305, 306, 347, 348,
&end
#
# 0 AMB 20-2:135 116 LYS HA 3.50 (# 135:20 Single Ambig)
&rst
ixpk= 135, nxpk= 20, iat= -1, 303, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 308, 309, 372,
&end
#
# 0 AMB 20-2:136 116 LYS HA 3.50 (# 136:20 Single Ambig)
&rst
ixpk= 136, nxpk= 20, iat= -1, 303, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 308, 309, 350, 351,
&end
#
# 126 LYS HG+ 126 LYS HA 4.50 (# 137:20 Unique 2.36, 2.92 A)
&rst
ixpk= 137, nxpk= 20, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 469, 470,
&end
#
# 0 AMB 20-2:138 126 LYS HA 2.80 (# 138:20 Single Ambig)
&rst
ixpk= 138, nxpk= 20, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 466, 467, 543, 544,
&end
#
# 126 LYS HB- 126 LYS HA 3.20 (# 139:20 Unique 2.47, 2.79 A)
&rst
ixpk= 139, nxpk= 20, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 466, 467,
&end
#
# 0 AMB 20-2:140 126 LYS HA 3.50 (# 140:20 Single Ambig)
&rst
ixpk= 140, nxpk= 20, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 472, 473, 472, 473, 527, 528, 527, 528,
&end
#
# 126 LYS HG- 126 LYS HA 4.50 (# 141:20 Unique 2.36, 2.92 A)
&rst
ixpk= 141, nxpk= 20, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 469, 470,
&end
#
# 125 ILE QG2 126 LYS HA 4.50 (# 142:20 Unique 3.54, 4.74 A)
&rst
ixpk= 142, nxpk= 20, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 449, 450, 451,
&end
#
# 0 AMB 20-2:143 141 GLN HA 6.00 (# 143:20 Single Ambig)
&rst
ixpk= 143, nxpk= 20, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 792, 793, 943, 944, 943, 944,
&end
#
# 0 AMB 20-2:144 141 GLN HA 2.80 (# 144:20 Single Ambig)
&rst
ixpk= 144, nxpk= 20, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 716, 717, 719, 720,
&end
#
# 0 AMB 20-2:145 141 GLN HA 2.80 (# 145:20 Single Ambig)
&rst
ixpk= 145, nxpk= 20, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 716, 717, 719, 720,
&end
#
# 144 ILE HB 141 GLN HA 4.50 (# 146:20 Unique 2.26, 2.33 A)
&rst
ixpk= 146, nxpk= 20, iat= 770, 714, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:147 141 GLN HA 6.00 (# 147:20 Single Ambig)
&rst
ixpk= 147, nxpk= 20, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 736, 737, 427, 428, 429,
&end
#
# 144 ILE QD1 141 GLN HA 3.50 (# 148:20 Unique 2.17, 3.41 A)
&rst
ixpk= 148, nxpk= 20, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 779, 780, 781,
&end
#
# 152 ILE QD1 141 GLN HA 3.50 (# 149:20 Unique 2.26, 3.17 A)
&rst
ixpk= 149, nxpk= 20, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 902, 903, 904,
&end
#
# 154 ASN HB+ 157 THR HB 3.50 (# 150:20 Unique 2.47, 3.45 A)
&rst
ixpk= 150, nxpk= 20, iat= -1, 971, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 926, 927,
&end
#
# 0 AMB 20-2:151 127 THR HA 4.50 (# 151:20 Single Ambig)
&rst
ixpk= 151, nxpk= 20, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 549, 550, 549, 550, 567, 568,
&end
#
# 172 PRO HD- 172 PRO HA 6.00 (# 152:20 Unique 3.24, 3.72 A)
&rst
ixpk= 152, nxpk= 20, iat= -1,1243, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1234,1235,
&end
#
# 158 PHE HB- 158 PHE HA 3.50 (# 153:20 Unique 2.31, 2.66 A)
&rst
ixpk= 153, nxpk= 20, iat= -1, 983, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 985, 986,
&end
#
# 0 AMB 20-2:154 0 AMB 20-1:154 6.00 (# 154:20 Double Ambig)
&rst
ixpk= 154, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.45, r4=12.95,
igr1= 647, 648, 647, 648, 647, 648, 742, 743, 742, 743,
igr2= 671, 672, 671, 672, 671, 672, 671, 672,
&end
#
# 158 PHE HB+ 158 PHE HA 3.50 (# 155:20 Unique 2.31, 2.66 A)
&rst
ixpk= 155, nxpk= 20, iat= -1, 983, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 985, 986,
&end
#
# 0 AMB 20-2:157 143 GLU HA 8.00 (# 157:20 Single Ambig)
&rst
ixpk= 157, nxpk= 20, iat= -1, 753, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 813, 814, 742, 743,
&end
#
# 128 LEU HN 127 THR HB 3.50 (# 158:20 Unique 2.49, 2.57 A)
&rst
ixpk= 158, nxpk= 20, iat= 498, 488, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 158 PHE HN 156 THR HB 6.00 (# 159:20 Unique 5.07, 5.17 A)
&rst
ixpk= 159, nxpk= 20, iat= 981, 957, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 156 THR HN 156 THR HB 2.80 (# 160:20 Unique 2.83, 2.85 A)
&rst
ixpk= 160, nxpk= 20, iat= 953, 957, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 157 THR HN 156 THR HB 2.80 (# 161:20 Unique 2.45, 2.52 A)
&rst
ixpk= 161, nxpk= 20, iat= 967, 957, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 20-2:162 0 AMB 20-1:162 3.50 (# 162:20 Double Ambig)
&rst
ixpk= 162, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 484, 967,
igr2= 488, 971,
&end
#
# 156 THR HN 157 THR HB 6.00 (# 163:20 Unique 5.53, 5.62 A)
&rst
ixpk= 163, nxpk= 20, iat= 953, 971, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 158 PHE HN 157 THR HB 3.50 (# 164:20 Unique 2.77, 2.85 A)
&rst
ixpk= 164, nxpk= 20, iat= 981, 971, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 156 THR HN 156 THR HA 3.50 (# 165:20 Unique 2.78, 2.81 A)
&rst
ixpk= 165, nxpk= 20, iat= 953, 955, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:166 156 THR HA 4.50 (# 166:20 Single Ambig)
&rst
ixpk= 166, nxpk= 20, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 967,1018,
&end
#
# 128 LEU HN 127 THR HA 6.00 (# 167:20 Unique 3.58, 3.61 A)
&rst
ixpk= 167, nxpk= 20, iat= 498, 486, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 127 THR HN 127 THR HA 3.50 (# 168:20 Unique 2.83, 2.86 A)
&rst
ixpk= 168, nxpk= 20, iat= 484, 486, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:169 127 THR HA 6.00 (# 169:20 Single Ambig)
&rst
ixpk= 169, nxpk= 20, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 577, 539,
&end
#
# 0 AMB 20-2:170 144 ILE HA 4.50 (# 170:20 Single Ambig)
&rst
ixpk= 170, nxpk= 20, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 766, 785,
&end
#
# 0 AMB 20-2:171 144 ILE HA 6.00 (# 171:20 Single Ambig)
&rst
ixpk= 171, nxpk= 20, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 822, 800,
&end
#
# 0 AMB 20-2:172 157 THR HA 2.80 (# 172:20 Single Ambig)
&rst
ixpk= 172, nxpk= 20, iat= -1, 969, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 967,1018,
&end
#
# 158 PHE HN 157 THR HA 4.50 (# 173:20 Unique 3.56, 3.58 A)
&rst
ixpk= 173, nxpk= 20, iat= 981, 969, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 161 SER HN 157 THR HA 6.00 (# 174:20 Unique 3.79, 3.92 A)
&rst
ixpk= 174, nxpk= 20, iat=1035, 969, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:175 0 AMB 20-1:175 4.50 (# 175:20 Double Ambig)
&rst
ixpk= 175, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 423, 848, 343,
igr2= 841, 842, 841, 842, 841, 842, 841, 842,
&end
#
# 150 LEU HN 0 AMB 20-1:176 4.50 (# 176:20 Single Ambig)
&rst
ixpk= 176, nxpk= 20, iat= 855, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 841, 842, 841, 842,
&end
#
# 148 SER HN 0 AMB 20-1:177 3.50 (# 177:20 Single Ambig)
&rst
ixpk= 177, nxpk= 20, iat= 837, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 841, 842, 841, 842,
&end
#
# 154 ASN HN 153 PRO HA 4.50 (# 178:20 Unique 3.58, 3.59 A)
&rst
ixpk= 178, nxpk= 20, iat= 922, 918, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 118 ALA HN 115 SER HB- 6.00 (# 179:20 Unique 2.54, 3.66 A)
&rst
ixpk= 179, nxpk= 20, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 294, 295,
&end
#
# 116 LYS HN 115 SER HB- 4.50 (# 180:20 Unique 2.39, 3.73 A)
&rst
ixpk= 180, nxpk= 20, iat= 301, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 294, 295,
&end
#
# 117 ALA HN 115 SER HB- 4.50 (# 181:20 Unique 2.95, 4.22 A)
&rst
ixpk= 181, nxpk= 20, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 294, 295,
&end
#
# 115 SER HN 115 SER HB- 4.50 (# 182:20 Unique 2.35, 2.77 A)
&rst
ixpk= 182, nxpk= 20, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 294, 295,
&end
#
# 116 LYS HN 115 SER HB+ 6.00 (# 183:20 Unique 2.39, 3.73 A)
&rst
ixpk= 183, nxpk= 20, iat= 301, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 294, 295,
&end
#
# 117 ALA HN 115 SER HB+ 6.00 (# 184:20 Unique 2.95, 4.22 A)
&rst
ixpk= 184, nxpk= 20, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 294, 295,
&end
#
# 115 SER HN 115 SER HB+ 4.50 (# 185:20 Unique 2.35, 2.77 A)
&rst
ixpk= 185, nxpk= 20, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 294, 295,
&end
#
# 185 SER HN 185 SER HB+ 3.20 (# 186:20 Unique 2.44, 3.00 A)
&rst
ixpk= 186, nxpk= 20, iat=1446, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1450,1451,
&end
#
# 185 SER HN 185 SER HB- 3.20 (# 187:20 Unique 2.44, 3.00 A)
&rst
ixpk= 187, nxpk= 20, iat=1446, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1450,1451,
&end
#
# 166 TYR HN 163 ILE HA 6.00 (# 188:20 Unique 3.18, 3.43 A)
&rst
ixpk= 188, nxpk= 20, iat=1123,1067, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:189 163 ILE HA 3.50 (# 189:20 Single Ambig)
&rst
ixpk= 189, nxpk= 20, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1065,1173,
&end
#
# 164 LYS HN 163 ILE HA 4.50 (# 190:20 Unique 3.58, 3.60 A)
&rst
ixpk= 190, nxpk= 20, iat=1084,1067, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 114 GLY HN 113 PRO HA 3.50 (# 191:20 Unique 2.28, 2.88 A)
&rst
ixpk= 191, nxpk= 20, iat= 283, 279, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:192 188 SER HB- 3.50 (# 192:20 Single Ambig)
&rst
ixpk= 192, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1482,1503,1517,
igr2=1486,1487,
&end
#
# 0 AMB 20-2:193 0 AMB 20-1:193 3.50 (# 193:20 Double Ambig)
&rst
ixpk= 193, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1482,1503,1517,
igr2=1486,1487,1486,1487,1486,1487,
&end
#
# 101 ASP HN 100 PRO HA 3.50 (# 194:20 Unique 2.19, 2.55 A)
&rst
ixpk= 194, nxpk= 20, iat= 71, 67, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 170 LYS HN 169 VAL HA 2.80 (# 195:20 Unique 2.10, 2.15 A)
&rst
ixpk= 195, nxpk= 20, iat=1189,1175, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 169 VAL HN 169 VAL HA 4.50 (# 196:20 Unique 2.92, 2.94 A)
&rst
ixpk= 196, nxpk= 20, iat=1173,1175, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:197 0 AMB 20-1:197 3.50 (# 197:20 Double Ambig)
&rst
ixpk= 197, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 667,1375,
igr2= 660, 661,1175,
&end
#
# 137 SER HN 137 SER HB+ 3.50 (# 198:20 Unique 2.43, 3.03 A)
&rst
ixpk= 198, nxpk= 20, iat= 656, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 660, 661,
&end
#
# 177 TYR HE 137 SER HB+ 4.50 (# 199:20 Unique 2.19, 4.84 A)
&rst
ixpk= 199, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1326,1331,
igr2= 660, 661,
&end
#
# 137 SER HN 137 SER HB- 3.20 (# 200:20 Unique 2.43, 3.03 A)
&rst
ixpk= 200, nxpk= 20, iat= 656, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 660, 661,
&end
#
# 177 TYR HE 137 SER HB- 4.50 (# 201:20 Unique 2.19, 4.84 A)
&rst
ixpk= 201, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1326,1331,
igr2= 660, 661,
&end
#
# 138 SER HN 137 SER HB- 4.50 (# 202:20 Unique 2.49, 3.70 A)
&rst
ixpk= 202, nxpk= 20, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 660, 661,
&end
#
# 104 THR HN 103 THR HA 3.50 (# 203:20 Unique 2.10, 2.87 A)
&rst
ixpk= 203, nxpk= 20, iat= 104, 92, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 177 TYR HD 137 SER HA 6.00 (# 204:20 Unique 2.69, 4.90 A)
&rst
ixpk= 204, nxpk= 20, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1324,1333,
&end
#
# 128 LEU HN 125 ILE HA 6.00 (# 205:20 Unique 3.17, 3.35 A)
&rst
ixpk= 205, nxpk= 20, iat= 498, 445, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:206 125 ILE HA 3.50 (# 206:20 Single Ambig)
&rst
ixpk= 206, nxpk= 20, iat= -1, 445, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 443, 462,
&end
#
# 0 AMB 20-2:207 161 SER HB- 6.00 (# 207:20 Single Ambig)
&rst
ixpk= 207, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1018, 967,
igr2=1039,1040,
&end
#
# 162 LEU HN 161 SER HB- 3.50 (# 208:20 Unique 2.56, 3.27 A)
&rst
ixpk= 208, nxpk= 20, iat=1046, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1039,1040,
&end
#
# 161 SER HN 161 SER HB- 2.80 (# 209:20 Unique 2.27, 2.59 A)
&rst
ixpk= 209, nxpk= 20, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1039,1040,
&end
#
# 162 LEU HN 161 SER HB+ 3.50 (# 210:20 Unique 2.56, 3.27 A)
&rst
ixpk= 210, nxpk= 20, iat=1046, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1039,1040,
&end
#
# 161 SER HN 161 SER HB+ 2.80 (# 211:20 Unique 2.27, 2.59 A)
&rst
ixpk= 211, nxpk= 20, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1039,1040,
&end
#
# 0 AMB 20-2:212 104 THR HA 3.50 (# 212:20 Single Ambig)
&rst
ixpk= 212, nxpk= 20, iat= -1, 106, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 118, 142,
&end
#
# 110 THR HN 110 THR HA 4.50 (# 213:20 Unique 2.78, 2.87 A)
&rst
ixpk= 213, nxpk= 20, iat= 221, 223, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 138 SER HN 0 AMB 20-1:214 3.50 (# 214:20 Single Ambig)
&rst
ixpk= 214, nxpk= 20, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 671, 672, 671, 672,
&end
#
# 139 GLU HN 0 AMB 20-1:215 4.50 (# 215:20 Single Ambig)
&rst
ixpk= 215, nxpk= 20, iat= 678, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 671, 672, 671, 672,
&end
#
# 111 ALA HN 110 THR HA 3.50 (# 216:20 Unique 2.18, 2.78 A)
&rst
ixpk= 216, nxpk= 20, iat= 235, 223, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 158 PHE HD 158 PHE HA 3.50 (# 217:20 Unique 2.73, 3.62 A)
&rst
ixpk= 217, nxpk= 20, iat= -1, 983, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 989, 997,
&end
#
# 142 LYS HN 138 SER HA 6.00 (# 218:20 Unique 3.83, 3.95 A)
&rst
ixpk= 218, nxpk= 20, iat= 729, 669, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 138 SER HN 138 SER HA 3.50 (# 219:20 Unique 2.79, 2.84 A)
&rst
ixpk= 219, nxpk= 20, iat= 667, 669, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 139 GLU HN 138 SER HA 6.00 (# 220:20 Unique 3.56, 3.59 A)
&rst
ixpk= 220, nxpk= 20, iat= 678, 669, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 162 LEU HN 161 SER HA 4.50 (# 221:20 Unique 3.58, 3.60 A)
&rst
ixpk= 221, nxpk= 20, iat=1046,1037, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 161 SER HN 161 SER HA 3.20 (# 222:20 Unique 2.84, 2.86 A)
&rst
ixpk= 222, nxpk= 20, iat=1035,1037, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 164 LYS HN 161 SER HA 4.50 (# 223:20 Unique 3.31, 3.40 A)
&rst
ixpk= 223, nxpk= 20, iat=1084,1037, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 121 ARG HN 121 ARG HA 3.50 (# 224:20 Unique 2.84, 2.87 A)
&rst
ixpk= 224, nxpk= 20, iat= 384, 386, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 158 PHE HE 121 ARG HA 4.50 (# 225:20 Unique 2.79, 4.02 A)
&rst
ixpk= 225, nxpk= 20, iat= -1, 386, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 991, 995,
&end
#
# 158 PHE HZ 121 ARG HA 3.50 (# 226:20 Unique 2.26, 2.54 A)
&rst
ixpk= 226, nxpk= 20, iat= 993, 386, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 124 ALA HN 121 ARG HA 6.00 (# 227:20 Unique 3.16, 3.45 A)
&rst
ixpk= 227, nxpk= 20, iat= 433, 386, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 184 GLU HN 183 ILE HA 3.50 (# 228:20 Unique 2.11, 2.84 A)
&rst
ixpk= 228, nxpk= 20, iat=1431,1414, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:229 183 ILE HA 3.50 (# 229:20 Single Ambig)
&rst
ixpk= 229, nxpk= 20, iat= -1,1414, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1412,1397,
&end
#
# 179 LEU HN 178 ILE HA 3.50 (# 230:20 Unique 2.34, 2.41 A)
&rst
ixpk= 230, nxpk= 20, iat=1356,1339, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:231 143 GLU HA 4.50 (# 231:20 Single Ambig)
&rst
ixpk= 231, nxpk= 20, iat= -1, 753, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 766, 785,
&end
#
# 0 AMB 20-2:232 143 GLU HA 2.80 (# 232:20 Single Ambig)
&rst
ixpk= 232, nxpk= 20, iat= -1, 753, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 751, 800,
&end
#
# 116 LYS HN 116 LYS HA 6.00 (# 233:20 Unique 2.77, 2.84 A)
&rst
ixpk= 233, nxpk= 20, iat= 301, 303, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:234 116 LYS HA 6.00 (# 234:20 Single Ambig)
&rst
ixpk= 234, nxpk= 20, iat= -1, 303, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 323, 365,
&end
#
# 0 AMB 20-2:235 116 LYS HA 6.00 (# 235:20 Single Ambig)
&rst
ixpk= 235, nxpk= 20, iat= -1, 303, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 343, 290,
&end
#
# 129 LYS HN 126 LYS HA 6.00 (# 236:20 Unique 3.27, 3.47 A)
&rst
ixpk= 236, nxpk= 20, iat= 517, 464, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 126 LYS HN 126 LYS HA 3.50 (# 237:20 Unique 2.82, 2.87 A)
&rst
ixpk= 237, nxpk= 20, iat= 462, 464, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 141 GLN HN 141 GLN HA 3.50 (# 238:20 Unique 2.82, 2.85 A)
&rst
ixpk= 238, nxpk= 20, iat= 712, 714, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:239 141 GLN HA 4.50 (# 239:20 Single Ambig)
&rst
ixpk= 239, nxpk= 20, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 766, 785,
&end
#
# 142 LYS HN 141 GLN HA 4.50 (# 240:20 Unique 3.60, 3.61 A)
&rst
ixpk= 240, nxpk= 20, iat= 729, 714, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 154 ASN HA 153 PRO HA 6.00 (# 241:20 Unique 4.64, 4.68 A)
&rst
ixpk= 241, nxpk= 20, iat= 924, 918, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 179 LEU HA 169 VAL HA 4.50 (# 242:20 Unique 2.22, 2.39 A)
&rst
ixpk= 242, nxpk= 20, iat=1358,1175, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 178 ILE HN 177 TYR HA 4.50 (# 243:20 Unique 2.34, 2.37 A)
&rst
ixpk= 243, nxpk= 20, iat=1337,1318, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 177 TYR HD 177 TYR HA 6.00 (# 244:20 Unique 2.65, 3.50 A)
&rst
ixpk= 244, nxpk= 20, iat= -1,1318, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1324,1333,
&end
#
# 145 GLU HN 145 GLU HA 3.50 (# 245:20 Unique 2.87, 2.88 A)
&rst
ixpk= 245, nxpk= 20, iat= 785, 787, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 150 LEU HN 145 GLU HA 4.50 (# 246:20 Unique 3.04, 3.14 A)
&rst
ixpk= 246, nxpk= 20, iat= 855, 787, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:247 142 LYS HA 4.50 (# 247:20 Single Ambig)
&rst
ixpk= 247, nxpk= 20, iat= -1, 731, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 751, 800,
&end
#
# 148 SER HN 148 SER HA 3.50 (# 248:20 Unique 2.90, 2.93 A)
&rst
ixpk= 248, nxpk= 20, iat= 837, 839, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:249 148 SER HA 4.50 (# 249:20 Single Ambig)
&rst
ixpk= 249, nxpk= 20, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 848, 822, 343,
&end
#
# 150 LEU HN 148 SER HA 6.00 (# 250:20 Unique 4.24, 4.39 A)
&rst
ixpk= 250, nxpk= 20, iat= 855, 839, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 142 LYS HN 142 LYS HA 3.50 (# 251:20 Unique 2.82, 2.83 A)
&rst
ixpk= 251, nxpk= 20, iat= 729, 731, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:252 0 AMB 20-1:252 4.50 (# 252:20 Double Ambig)
&rst
ixpk= 252, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 408, 837,
igr2= 345, 802,
&end
#
# 168 GLU HN 168 GLU HA 4.50 (# 253:20 Unique 2.87, 2.89 A)
&rst
ixpk= 253, nxpk= 20, iat=1158,1160, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:254 0 AMB 20-1:254 3.50 (# 254:20 Double Ambig)
&rst
ixpk= 254, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1065,1173,1397,
igr2=1020,1160,
&end
#
# 160 GLN HN 160 GLN HA 3.20 (# 255:20 Unique 2.85, 2.88 A)
&rst
ixpk= 255, nxpk= 20, iat=1018,1020, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 162 LEU HN 160 GLN HA 6.00 (# 256:20 Unique 4.45, 4.61 A)
&rst
ixpk= 256, nxpk= 20, iat=1046,1020, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 161 SER HN 160 GLN HA 4.50 (# 257:20 Unique 3.59, 3.61 A)
&rst
ixpk= 257, nxpk= 20, iat=1035,1020, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 124 ALA HN 122 GLU HA 6.00 (# 258:20 Unique 4.38, 4.52 A)
&rst
ixpk= 258, nxpk= 20, iat= 433, 410, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:259 122 GLU HA 3.20 (# 259:20 Single Ambig)
&rst
ixpk= 259, nxpk= 20, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1= 443, 462, 423,
&end
#
# 122 GLU HN 122 GLU HA 2.80 (# 260:20 Unique 2.78, 2.83 A)
&rst
ixpk= 260, nxpk= 20, iat= 408, 410, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 129 LYS HN 129 LYS HA 3.50 (# 261:20 Unique 2.86, 2.91 A)
&rst
ixpk= 261, nxpk= 20, iat= 517, 519, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:262 0 AMB 20-1:262 2.80 (# 262:20 Double Ambig)
&rst
ixpk= 262, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 343, 800, 848, 423,
igr2= 345, 802,
&end
#
# 130 ARG HN 129 LYS HA 6.00 (# 263:20 Unique 3.54, 3.57 A)
&rst
ixpk= 263, nxpk= 20, iat= 539, 519, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 152 ILE HN 152 ILE HA 4.50 (# 264:20 Unique 2.89, 2.92 A)
&rst
ixpk= 264, nxpk= 20, iat= 889, 891, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 128 LEU HN 128 LEU HA 6.00 (# 265:20 Unique 2.86, 2.88 A)
&rst
ixpk= 265, nxpk= 20, iat= 498, 500, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 189 ALA HN 188 SER HA 3.20 (# 266:20 Unique 2.16, 2.42 A)
&rst
ixpk= 266, nxpk= 20, iat=1493,1484, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 140 LEU HN 139 GLU HA 4.50 (# 267:20 Unique 3.56, 3.57 A)
&rst
ixpk= 267, nxpk= 20, iat= 693, 680, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 142 LYS HN 139 GLU HA 4.50 (# 268:20 Unique 3.21, 3.38 A)
&rst
ixpk= 268, nxpk= 20, iat= 729, 680, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 143 GLU HN 139 GLU HA 6.00 (# 269:20 Unique 3.89, 4.06 A)
&rst
ixpk= 269, nxpk= 20, iat= 751, 680, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:270 147 GLU HA 3.20 (# 270:20 Single Ambig)
&rst
ixpk= 270, nxpk= 20, iat= -1, 824, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 822, 848,
&end
#
# 116 LYS HN 115 SER HA 3.50 (# 271:20 Unique 2.14, 2.30 A)
&rst
ixpk= 271, nxpk= 20, iat= 301, 292, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 117 ALA HN 115 SER HA 6.00 (# 272:20 Unique 4.09, 4.41 A)
&rst
ixpk= 272, nxpk= 20, iat= 323, 292, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 115 SER HN 115 SER HA 4.50 (# 273:20 Unique 2.82, 2.87 A)
&rst
ixpk= 273, nxpk= 20, iat= 290, 292, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 118 ALA HN 115 SER HA 6.00 (# 274:20 Unique 4.39, 4.64 A)
&rst
ixpk= 274, nxpk= 20, iat= 333, 292, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:275 185 SER HA 2.80 (# 275:20 Single Ambig)
&rst
ixpk= 275, nxpk= 20, iat= -1,1448, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1457,1446,
&end
#
# 148 SER HN 147 GLU HA 4.50 (# 276:20 Unique 3.59, 3.60 A)
&rst
ixpk= 276, nxpk= 20, iat= 837, 824, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:277 0 AMB 20-1:277 3.50 (# 277:20 Double Ambig)
&rst
ixpk= 277, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1268, 365,
igr2=1270, 367,
&end
#
# 162 LEU HN 162 LEU HA 4.50 (# 278:20 Unique 2.82, 2.83 A)
&rst
ixpk= 278, nxpk= 20, iat=1046,1048, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 158 PHE HN 155 MET HA 4.50 (# 279:20 Unique 3.47, 3.82 A)
&rst
ixpk= 279, nxpk= 20, iat= 981, 938, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 140 LEU HN 140 LEU HA 6.00 (# 280:20 Unique 2.83, 2.86 A)
&rst
ixpk= 280, nxpk= 20, iat= 693, 695, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 166 TYR HN 165 MET HA 6.00 (# 281:20 Unique 3.52, 3.56 A)
&rst
ixpk= 281, nxpk= 20, iat=1123,1108, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:282 0 AMB 20-1:282 4.50 (# 282:20 Double Ambig)
&rst
ixpk= 282, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 563, 590, 591,1512,1513,
igr2= 541,1519,
&end
#
# 130 ARG HN 130 ARG HA 3.50 (# 283:20 Unique 2.83, 2.88 A)
&rst
ixpk= 283, nxpk= 20, iat= 539, 541, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:284 191 GLU HA 4.50 (# 284:20 Single Ambig)
&rst
ixpk= 284, nxpk= 20, iat= -1,1519, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1517,1566,1503,1584,
&end
#
# 192 LEU HN 191 GLU HA 3.50 (# 285:20 Unique 2.21, 3.44 A)
&rst
ixpk= 285, nxpk= 20, iat=1532,1519, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 187 GLU HN 187 GLU HA 3.20 (# 286:20 Unique 2.81, 2.90 A)
&rst
ixpk= 286, nxpk= 20, iat=1467,1469, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 188 SER HN 187 GLU HA 3.50 (# 287:20 Unique 2.14, 2.57 A)
&rst
ixpk= 287, nxpk= 20, iat=1482,1469, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 184 GLU HN 184 GLU HA 3.20 (# 288:20 Unique 2.77, 2.89 A)
&rst
ixpk= 288, nxpk= 20, iat=1431,1433, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 194 HIS HN 193 GLU HA 4.50 (# 289:20 Unique 2.05, 3.07 A)
&rst
ixpk= 289, nxpk= 20, iat=1566,1553, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 193 GLU HN 193 GLU HA 3.20 (# 290:20 Unique 2.83, 2.90 A)
&rst
ixpk= 290, nxpk= 20, iat=1551,1553, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 0 AMB 20-2:291 0 AMB 20-1:291 2.80 (# 291:20 Double Ambig)
&rst
ixpk= 291, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 214, 190,1446,
igr2= 192, 168,1433, 144,
&end
#
# 0 AMB 20-2:292 0 AMB 20-1:292 2.80 (# 292:20 Double Ambig)
&rst
ixpk= 292, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 142, 118,
igr2= 120, 144,
&end
#
# 180 GLU HN 180 GLU HA 3.50 (# 293:20 Unique 2.94, 2.97 A)
&rst
ixpk= 293, nxpk= 20, iat=1375,1377, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 181 GLY HN 180 GLU HA 2.80 (# 294:20 Unique 2.13, 2.21 A)
&rst
ixpk= 294, nxpk= 20, iat=1390,1377, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 193 GLU HN 192 LEU HA 3.50 (# 295:20 Unique 2.29, 3.37 A)
&rst
ixpk= 295, nxpk= 20, iat=1551,1534, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:296 182 GLU HA 2.80 (# 296:20 Single Ambig)
&rst
ixpk= 296, nxpk= 20, iat= -1,1399, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1412,1397,
&end
#
# 124 ALA HN 124 ALA HA 3.50 (# 297:20 Unique 2.86, 2.87 A)
&rst
ixpk= 297, nxpk= 20, iat= 433, 435, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:298 124 ALA HA 3.50 (# 298:20 Single Ambig)
&rst
ixpk= 298, nxpk= 20, iat= -1, 435, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 484, 443, 462,
&end
#
# 128 LEU HN 124 ALA HA 6.00 (# 299:20 Unique 3.89, 4.01 A)
&rst
ixpk= 299, nxpk= 20, iat= 498, 435, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 160 GLN HN 159 MET HA 6.00 (# 300:20 Unique 3.58, 3.59 A)
&rst
ixpk= 300, nxpk= 20, iat=1018,1003, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 159 MET HN 159 MET HA 4.50 (# 301:20 Unique 2.86, 2.88 A)
&rst
ixpk= 301, nxpk= 20, iat=1001,1003, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 162 LEU HN 159 MET HA 4.50 (# 302:20 Unique 3.15, 3.28 A)
&rst
ixpk= 302, nxpk= 20, iat=1046,1003, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 145 GLU HN 151 GLU HA 6.00 (# 303:20 Unique 5.49, 5.64 A)
&rst
ixpk= 303, nxpk= 20, iat= 785, 876, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:304 117 ALA HA 2.80 (# 304:20 Single Ambig)
&rst
ixpk= 304, nxpk= 20, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 323, 365,
&end
#
# 121 ARG HN 117 ALA HA 4.50 (# 305:20 Unique 3.82, 3.93 A)
&rst
ixpk= 305, nxpk= 20, iat= 384, 325, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 118 ALA HN 117 ALA HA 4.50 (# 306:20 Unique 3.57, 3.59 A)
&rst
ixpk= 306, nxpk= 20, iat= 333, 325, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 152 ILE HN 151 GLU HA 2.80 (# 307:20 Unique 2.18, 2.23 A)
&rst
ixpk= 307, nxpk= 20, iat= 889, 876, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 20-2:308 151 GLU HA 3.20 (# 308:20 Single Ambig)
&rst
ixpk= 308, nxpk= 20, iat= -1, 876, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1= 874, 724, 725,
&end
#
# 0 AMB 20-2:309 118 ALA HA 4.50 (# 309:20 Single Ambig)
&rst
ixpk= 309, nxpk= 20, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 384, 408,
&end
#
# 0 AMB 20-2:310 118 ALA HA 3.50 (# 310:20 Single Ambig)
&rst
ixpk= 310, nxpk= 20, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 343, 290,
&end
#
# 118 ALA HN 118 ALA HA 3.50 (# 311:20 Unique 2.85, 2.86 A)
&rst
ixpk= 311, nxpk= 20, iat= 333, 335, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:312 173 TYR HA 3.50 (# 312:20 Single Ambig)
&rst
ixpk= 312, nxpk= 20, iat= -1,1249, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1268,1247,
&end
#
# 0 AMB 20-2:313 123 ALA HA 2.80 (# 313:20 Single Ambig)
&rst
ixpk= 313, nxpk= 20, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 423, 462,
&end
#
# 124 ALA HN 123 ALA HA 4.50 (# 314:20 Unique 3.60, 3.61 A)
&rst
ixpk= 314, nxpk= 20, iat= 433, 425, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:315 123 ALA HA 6.00 (# 315:20 Single Ambig)
&rst
ixpk= 315, nxpk= 20, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 837, 408, 384,
&end
#
# 102 GLY HN 101 ASP HA 3.50 (# 316:20 Unique 2.13, 3.02 A)
&rst
ixpk= 316, nxpk= 20, iat= 83, 73, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:317 190 ASN HA 4.50 (# 317:20 Single Ambig)
&rst
ixpk= 317, nxpk= 20, iat= -1,1505, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1517,1503,
&end
#
# 151 GLU HN 150 LEU HA 4.50 (# 318:20 Unique 2.21, 2.39 A)
&rst
ixpk= 318, nxpk= 20, iat= 874, 857, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 189 ALA HN 189 ALA HA 3.20 (# 319:20 Unique 2.82, 2.90 A)
&rst
ixpk= 319, nxpk= 20, iat=1493,1495, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 135 ILE HN 134 ALA HA 2.80 (# 320:20 Unique 2.19, 2.27 A)
&rst
ixpk= 320, nxpk= 20, iat= 615, 607, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 134 ALA HN 134 ALA HA 3.20 (# 321:20 Unique 2.80, 2.86 A)
&rst
ixpk= 321, nxpk= 20, iat= 605, 607, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 187 GLU HN 186 ALA HA 3.50 (# 322:20 Unique 2.22, 2.74 A)
&rst
ixpk= 322, nxpk= 20, iat=1467,1459, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 112 ARG HN 111 ALA HA 2.80 (# 323:20 Unique 2.17, 2.35 A)
&rst
ixpk= 323, nxpk= 20, iat= 245, 237, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 154 ASN HN 153 PRO HD+ 6.00 (# 324:20 Unique 2.76, 3.47 A)
&rst
ixpk= 324, nxpk= 20, iat= 922, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 909, 910,
&end
#
# 154 ASN HN 153 PRO HD- 4.50 (# 325:20 Unique 2.76, 3.47 A)
&rst
ixpk= 325, nxpk= 20, iat= 922, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 909, 910,
&end
#
# 134 ALA HN 133 ALA HA 3.50 (# 326:20 Unique 2.41, 2.53 A)
&rst
ixpk= 326, nxpk= 20, iat= 605, 597, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 133 ALA HN 133 ALA HA 4.50 (# 327:20 Unique 2.88, 2.93 A)
&rst
ixpk= 327, nxpk= 20, iat= 595, 597, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 168 GLU HN 167 PRO HD- 6.00 (# 328:20 Unique 3.06, 3.66 A)
&rst
ixpk= 328, nxpk= 20, iat=1158, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1145,1146,
&end
#
# 168 GLU HN 167 PRO HD+ 6.00 (# 329:20 Unique 3.06, 3.66 A)
&rst
ixpk= 329, nxpk= 20, iat=1158, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1145,1146,
&end
#
# 166 TYR HN 167 PRO HD+ 6.00 (# 330:20 Unique 3.32, 4.09 A)
&rst
ixpk= 330, nxpk= 20, iat=1123, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1145,1146,
&end
#
# 178 ILE HN 172 PRO HD+ 6.00 (# 331:20 Unique 2.91, 3.29 A)
&rst
ixpk= 331, nxpk= 20, iat=1337, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1234,1235,
&end
#
# 0 AMB 20-2:332 0 AMB 20-1:332 6.00 (# 332:20 Double Ambig)
&rst
ixpk= 332, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1247,1211,
igr2=1234,1235,1234,1235,
&end
#
# 0 AMB 20-2:333 176 GLN HA 6.00 (# 333:20 Single Ambig)
&rst
ixpk= 333, nxpk= 20, iat= -1,1301, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 656, 634,
&end
#
# 176 GLN HN 176 GLN HA 6.00 (# 334:20 Unique 2.97, 2.98 A)
&rst
ixpk= 334, nxpk= 20, iat=1299,1301, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 177 TYR HN 176 GLN HA 3.50 (# 335:20 Unique 1.99, 2.05 A)
&rst
ixpk= 335, nxpk= 20, iat=1316,1301, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 166 TYR HD 166 TYR HA 4.50 (# 336:20 Unique 2.29, 3.48 A)
&rst
ixpk= 336, nxpk= 20, iat= -1,1125, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1131,1140,
&end
#
# 158 PHE HD 155 MET HA 4.50 (# 337:20 Unique 3.36, 5.15 A)
&rst
ixpk= 337, nxpk= 20, iat= -1, 938, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 989, 997,
&end
#
# 173 TYR HE 173 TYR HA 6.00 (# 338:20 Unique 4.65, 5.39 A)
&rst
ixpk= 338, nxpk= 20, iat= -1,1249, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1257,1262,
&end
#
# 173 TYR HD 173 TYR HA 4.50 (# 339:20 Unique 2.66, 3.55 A)
&rst
ixpk= 339, nxpk= 20, iat= -1,1249, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1255,1264,
&end
#
# 139 GLU HN 139 GLU HA 3.50 (# 341:20 Unique 2.85, 2.89 A)
&rst
ixpk= 341, nxpk= 20, iat= 678, 680, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 177 TYR HD 172 PRO HD+ 6.00 (# 342:20 Unique 4.25, 5.88 A)
&rst
ixpk= 342, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1324,1333,
igr2=1234,1235,
&end
#
# 164 LYS HN 164 LYS HA 3.50 (# 343:20 Unique 2.84, 2.87 A)
&rst
ixpk= 343, nxpk= 20, iat=1084,1086, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 165 MET HN 164 LYS HA 4.50 (# 344:20 Unique 3.55, 3.57 A)
&rst
ixpk= 344, nxpk= 20, iat=1106,1086, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 165 MET HN 165 MET HA 3.50 (# 345:20 Unique 2.87, 2.89 A)
&rst
ixpk= 345, nxpk= 20, iat=1106,1108, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 158 PHE HD 159 MET HA 6.00 (# 346:20 Unique 3.35, 4.77 A)
&rst
ixpk= 346, nxpk= 20, iat= -1,1003, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 989, 997,
&end
#
# 177 TYR HA 172 PRO HD+ 4.50 (# 347:20 Unique 2.09, 2.86 A)
&rst
ixpk= 347, nxpk= 20, iat=1318, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1234,1235,
&end
#
# 177 TYR HA 172 PRO HD- 4.50 (# 348:20 Unique 2.09, 2.86 A)
&rst
ixpk= 348, nxpk= 20, iat=1318, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1234,1235,
&end
#
# 177 TYR HD 172 PRO HD- 6.00 (# 349:20 Unique 4.25, 5.88 A)
&rst
ixpk= 349, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1324,1333,
igr2=1234,1235,
&end
#
# 166 TYR HA 167 PRO HD- 2.80 (# 350:20 Unique 2.08, 2.49 A)
&rst
ixpk= 350, nxpk= 20, iat=1125, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1145,1146,
&end
#
# 166 TYR HA 167 PRO HD+ 2.80 (# 351:20 Unique 2.08, 2.49 A)
&rst
ixpk= 351, nxpk= 20, iat=1125, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1145,1146,
&end
#
# 171 LYS HA 172 PRO HD+ 2.80 (# 352:20 Unique 2.12, 2.62 A)
&rst
ixpk= 352, nxpk= 20, iat=1213, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1234,1235,
&end
#
# 171 LYS HA 172 PRO HD- 3.50 (# 353:20 Unique 2.12, 2.62 A)
&rst
ixpk= 353, nxpk= 20, iat=1213, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1234,1235,
&end
#
# 112 ARG HA 113 PRO HD+ 2.80 (# 354:20 Unique 2.03, 2.49 A)
&rst
ixpk= 354, nxpk= 20, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 270, 271,
&end
#
# 112 ARG HA 113 PRO HD- 2.80 (# 355:20 Unique 2.03, 2.49 A)
&rst
ixpk= 355, nxpk= 20, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 270, 271,
&end
#
# 167 PRO HA 167 PRO HD- 6.00 (# 356:20 Unique 3.43, 3.74 A)
&rst
ixpk= 356, nxpk= 20, iat=1154, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1145,1146,
&end
#
# 167 PRO HA 167 PRO HD+ 6.00 (# 357:20 Unique 3.43, 3.74 A)
&rst
ixpk= 357, nxpk= 20, iat=1154, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1145,1146,
&end
#
# 177 TYR HB- 177 TYR HA 4.50 (# 358:20 Unique 2.47, 2.77 A)
&rst
ixpk= 358, nxpk= 20, iat= -1,1318, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1320,1321,
&end
#
# 166 TYR HB+ 166 TYR HA 4.50 (# 359:20 Unique 2.40, 2.74 A)
&rst
ixpk= 359, nxpk= 20, iat= -1,1125, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1127,1128,
&end
#
# 166 TYR HB- 166 TYR HA 4.50 (# 360:20 Unique 2.40, 2.74 A)
&rst
ixpk= 360, nxpk= 20, iat= -1,1125, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1127,1128,
&end
#
# 167 PRO HD+ 166 TYR HA 3.50 (# 361:20 Unique 2.08, 2.49 A)
&rst
ixpk= 361, nxpk= 20, iat= -1,1125, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1145,1146,
&end
#
# 119 LYS HB- 148 SER HA 6.00 (# 362:20 Unique 2.56, 5.05 A)
&rst
ixpk= 362, nxpk= 20, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 347, 348,
&end
#
# 119 LYS HB+ 148 SER HA 6.00 (# 363:20 Unique 2.56, 5.05 A)
&rst
ixpk= 363, nxpk= 20, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 347, 348,
&end
#
# 150 LEU MDY 148 SER HA 6.00 (# 364:20 Unique 4.00, 6.43 A)
&rst
ixpk= 364, nxpk= 20, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 864, 865, 866, 868, 869, 870,
&end
#
# 120 LEU MDX 145 GLU HA 6.00 (# 365:20 Unique 3.70, 5.68 A)
&rst
ixpk= 365, nxpk= 20, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 374, 375, 376, 378, 379, 380,
&end
#
# 150 LEU MDY 116 LYS HA 3.50 (# 366:20 Unique 2.36, 4.08 A)
&rst
ixpk= 366, nxpk= 20, iat= -1, 303, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 864, 865, 866, 868, 869, 870,
&end
#
# 0 AMB 20-2:367 141 GLN HA 3.50 (# 367:20 Single Ambig)
&rst
ixpk= 367, nxpk= 20, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1012,1013,1014, 776, 777,
&end
#
# 0 AMB 20-2:368 148 SER HA 6.00 (# 368:20 Single Ambig)
&rst
ixpk= 368, nxpk= 20, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 829, 830, 826, 827,
&end
#
# 0 AMB 20-2:369 148 SER HA 6.00 (# 369:20 Single Ambig)
&rst
ixpk= 369, nxpk= 20, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 353, 354, 353, 354,
&end
#
# 0 AMB 20-2:370 148 SER HA 3.50 (# 370:20 Single Ambig)
&rst
ixpk= 370, nxpk= 20, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 350, 351, 427, 428, 429,
&end
#
# 119 LYS HG- 148 SER HA 4.50 (# 371:20 Unique 2.46, 3.81 A)
&rst
ixpk= 371, nxpk= 20, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 350, 351,
&end
#
# 144 ILE QG2 148 SER HA 6.00 (# 372:20 Unique 5.80, 6.70 A)
&rst
ixpk= 372, nxpk= 20, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 772, 773, 774,
&end
#
# 120 LEU MDX 148 SER HA 6.00 (# 373:20 Unique 4.73, 7.46 A)
&rst
ixpk= 373, nxpk= 20, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 374, 375, 376, 378, 379, 380,
&end
#
# 145 GLU HB- 145 GLU HA 2.80 (# 374:20 Unique 2.46, 2.76 A)
&rst
ixpk= 374, nxpk= 20, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 789, 790,
&end
#
# 0 AMB 20-2:375 122 GLU HA 4.50 (# 375:20 Single Ambig)
&rst
ixpk= 375, nxpk= 20, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 453, 454, 469, 470,
&end
#
# 0 AMB 20-2:376 142 LYS HA 2.80 (# 376:20 Single Ambig)
&rst
ixpk= 376, nxpk= 20, iat= -1, 731, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 733, 734, 733, 734,
&end
#
# 0 AMB 20-2:377 142 LYS HA 3.50 (# 377:20 Single Ambig)
&rst
ixpk= 377, nxpk= 20, iat= -1, 731, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 736, 737, 807, 808,
&end
#
# 122 GLU HB- 119 LYS HA 3.20 (# 378:20 Unique 2.26, 3.32 A)
&rst
ixpk= 378, nxpk= 20, iat= -1, 345, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 412, 413,
&end
#
# 119 LYS HB+ 119 LYS HA 2.80 (# 379:20 Unique 2.44, 2.80 A)
&rst
ixpk= 379, nxpk= 20, iat= -1, 345, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 347, 348,
&end
#
# 168 GLU HB+ 168 GLU HA 3.50 (# 380:20 Unique 2.35, 2.70 A)
&rst
ixpk= 380, nxpk= 20, iat= -1,1160, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1162,1163,
&end
#
# 160 GLN HG- 160 GLN HA 3.20 (# 381:20 Unique 2.53, 3.01 A)
&rst
ixpk= 381, nxpk= 20, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1025,1026,
&end
#
# 0 AMB 20-2:382 0 AMB 20-1:382 2.80 (# 382:20 Double Ambig)
&rst
ixpk= 382, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1165,1166,1022,1023,
igr2=1160,1020,
&end
#
# 0 AMB 20-2:383 0 AMB 20-1:383 2.80 (# 383:20 Double Ambig)
&rst
ixpk= 383, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1162,1163,1022,1023,
igr2=1160,1020,
&end
#
# 163 ILE HB 160 GLN HA 4.50 (# 384:20 Unique 2.43, 2.67 A)
&rst
ixpk= 384, nxpk= 20, iat=1069,1020, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:385 160 GLN HA 4.50 (# 385:20 Single Ambig)
&rst
ixpk= 385, nxpk= 20, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1075,1076, 959, 960, 961,
&end
#
# 163 ILE QD1 160 GLN HA 3.50 (# 386:20 Unique 2.34, 4.03 A)
&rst
ixpk= 386, nxpk= 20, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1078,1079,1080,
&end
#
# 122 GLU HG- 122 GLU HA 3.50 (# 387:20 Unique 2.28, 3.03 A)
&rst
ixpk= 387, nxpk= 20, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 415, 416,
&end
#
# 122 GLU HG+ 122 GLU HA 3.20 (# 388:20 Unique 2.28, 3.03 A)
&rst
ixpk= 388, nxpk= 20, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 415, 416,
&end
#
# 125 ILE QG2 122 GLU HA 4.50 (# 389:20 Unique 4.21, 5.16 A)
&rst
ixpk= 389, nxpk= 20, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 449, 450, 451,
&end
#
# 0 AMB 20-2:390 122 GLU HA 2.80 (# 390:20 Single Ambig)
&rst
ixpk= 390, nxpk= 20, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 412, 413, 412, 413,
&end
#
# 0 AMB 20-2:391 129 LYS HA 2.80 (# 391:20 Single Ambig)
&rst
ixpk= 391, nxpk= 20, iat= -1, 519, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 521, 522, 521, 522,
&end
#
# 0 AMB 20-2:392 129 LYS HA 3.20 (# 392:20 Single Ambig)
&rst
ixpk= 392, nxpk= 20, iat= -1, 519, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 527, 528, 527, 528, 524, 525,
&end
#
# 0 AMB 20-2:393 0 AMB 20-1:393 2.80 (# 393:20 Double Ambig)
&rst
ixpk= 393, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 804, 805, 804, 805, 347, 348,
igr2= 802, 345,
&end
#
# 0 AMB 20-2:394 0 AMB 20-1:394 4.50 (# 394:20 Double Ambig)
&rst
ixpk= 394, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 353, 354, 353, 354, 810, 811,
igr2= 345, 802,
&end
#
# 146 LYS HG- 146 LYS HA 3.20 (# 395:20 Unique 2.41, 3.13 A)
&rst
ixpk= 395, nxpk= 20, iat= -1, 802, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 807, 808,
&end
#
# 0 AMB 20-2:396 0 AMB 20-1:396 4.50 (# 396:20 Double Ambig)
&rst
ixpk= 396, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1199,1200,1075,1076,1005,1006,
igr2=1160,1020,
&end
#
# 163 ILE QG2 164 LYS HA 6.00 (# 397:20 Unique 3.44, 4.56 A)
&rst
ixpk= 397, nxpk= 20, iat= -1,1086, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1071,1072,1073,
&end
#
# 164 LYS HG+ 164 LYS HA 3.50 (# 398:20 Unique 2.42, 2.79 A)
&rst
ixpk= 398, nxpk= 20, iat= -1,1086, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1091,1092,
&end
#
# 99 ILE QG2 99 ILE HA 4.50 (# 399:20 Unique 2.28, 3.26 A)
&rst
ixpk= 399, nxpk= 20, iat= -1, 40, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 44, 45, 46,
&end
#
# 99 ILE HG1+ 99 ILE HA 6.00 (# 400:20 Unique 2.35, 3.45 A)
&rst
ixpk= 400, nxpk= 20, iat= -1, 40, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 48, 49,
&end
#
# 0 AMB 20-2:401 139 GLU HA 3.50 (# 401:20 Single Ambig)
&rst
ixpk= 401, nxpk= 20, iat= -1, 680, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 733, 734, 733, 734,
&end
#
# 179 LEU HB- 129 LYS HA 6.00 (# 402:20 Unique 3.34, 5.11 A)
&rst
ixpk= 402, nxpk= 20, iat= -1, 519, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1360,1361,
&end
#
# 129 LYS HG- 129 LYS HA 3.20 (# 403:20 Unique 2.34, 2.87 A)
&rst
ixpk= 403, nxpk= 20, iat= -1, 519, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 524, 525,
&end
#
# 179 LEU MDX 129 LYS HA 6.00 (# 404:20 Unique 2.60, 5.17 A)
&rst
ixpk= 404, nxpk= 20, iat= -1, 519, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1365,1366,1367,1369,1370,1371,
&end
#
# 152 ILE HG1- 152 ILE HA 3.50 (# 405:20 Unique 2.34, 2.83 A)
&rst
ixpk= 405, nxpk= 20, iat= -1, 891, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 899, 900,
&end
#
# 120 LEU MDY 152 ILE HA 4.50 (# 406:20 Unique 2.19, 3.53 A)
&rst
ixpk= 406, nxpk= 20, iat= -1, 891, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 374, 375, 376, 378, 379, 380,
&end
#
# 0 AMB 20-2:407 152 ILE HA 3.20 (# 407:20 Single Ambig)
&rst
ixpk= 407, nxpk= 20, iat= -1, 891, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 374, 375, 376, 378, 379, 380, 895, 896, 897,
&end
#
# 152 ILE QD1 152 ILE HA 6.00 (# 408:20 Unique 4.33, 4.66 A)
&rst
ixpk= 408, nxpk= 20, iat= -1, 891, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 902, 903, 904,
&end
#
# 0 AMB 20-2:409 164 LYS HA 2.80 (# 409:20 Single Ambig)
&rst
ixpk= 409, nxpk= 20, iat= -1,1086, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1088,1089,1088,1089,
&end
#
# 164 LYS HG- 164 LYS HA 3.50 (# 410:20 Unique 2.42, 2.79 A)
&rst
ixpk= 410, nxpk= 20, iat= -1,1086, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1091,1092,
&end
#
# 0 AMB 20-2:411 139 GLU HA 3.50 (# 411:20 Single Ambig)
&rst
ixpk= 411, nxpk= 20, iat= -1, 680, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 685, 686, 758, 759,
&end
#
# 0 AMB 20-2:412 139 GLU HA 2.80 (# 412:20 Single Ambig)
&rst
ixpk= 412, nxpk= 20, iat= -1, 680, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 682, 683, 682, 683,
&end
#
# 0 AMB 20-2:413 139 GLU HA 6.00 (# 413:20 Single Ambig)
&rst
ixpk= 413, nxpk= 20, iat= -1, 680, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 739, 740, 739, 740,
&end
#
# 135 ILE HG1- 139 GLU HA 6.00 (# 414:20 Unique 4.92, 5.32 A)
&rst
ixpk= 414, nxpk= 20, iat= -1, 680, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 625, 626,
&end
#
# 0 AMB 20-2:415 115 SER HA 4.50 (# 415:20 Single Ambig)
&rst
ixpk= 415, nxpk= 20, iat= -1, 292, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 337, 338, 339, 327, 328, 329,
&end
#
# 0 AMB 20-2:416 147 GLU HA 2.80 (# 416:20 Single Ambig)
&rst
ixpk= 416, nxpk= 20, iat= -1, 824, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 826, 827, 829, 830,
&end
#
# 123 ALA MB 120 LEU HA 3.50 (# 417:20 Unique 2.31, 3.52 A)
&rst
ixpk= 417, nxpk= 20, iat= -1, 367, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 427, 428, 429,
&end
#
# 123 ALA MB 120 LEU HA 3.50 (# 418:20 Unique 2.31, 3.52 A)
&rst
ixpk= 418, nxpk= 20, iat= -1, 367, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 427, 428, 429,
&end
#
# 120 LEU HB+ 120 LEU HA 4.50 (# 419:20 Unique 2.41, 2.80 A)
&rst
ixpk= 419, nxpk= 20, iat= -1, 367, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 369, 370,
&end
#
# 144 ILE QG2 120 LEU HA 4.50 (# 420:20 Unique 2.57, 3.56 A)
&rst
ixpk= 420, nxpk= 20, iat= -1, 367, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 772, 773, 774,
&end
#
# 120 LEU MDX 120 LEU HA 3.50 (# 421:20 Unique 2.22, 3.91 A)
&rst
ixpk= 421, nxpk= 20, iat= -1, 367, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 374, 375, 376, 378, 379, 380,
&end
#
# 150 LEU MDY 120 LEU HA 6.00 (# 422:20 Unique 2.96, 6.62 A)
&rst
ixpk= 422, nxpk= 20, iat= -1, 367, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 864, 865, 866, 868, 869, 870,
&end
#
# 165 MET HB+ 162 LEU HA 6.00 (# 423:20 Unique 2.41, 3.49 A)
&rst
ixpk= 423, nxpk= 20, iat= -1,1048, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1110,1111,
&end
#
# 162 LEU HB+ 162 LEU HA 4.50 (# 424:20 Unique 2.40, 2.77 A)
&rst
ixpk= 424, nxpk= 20, iat= -1,1048, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1050,1051,
&end
#
# 162 LEU HB- 162 LEU HA 4.50 (# 425:20 Unique 2.40, 2.77 A)
&rst
ixpk= 425, nxpk= 20, iat= -1,1048, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1050,1051,
&end
#
# 162 LEU HG 162 LEU HA 4.50 (# 426:20 Unique 2.54, 3.22 A)
&rst
ixpk= 426, nxpk= 20, iat=1053,1048, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:427 162 LEU HA 6.00 (# 427:20 Single Ambig)
&rst
ixpk= 427, nxpk= 20, iat= -1,1048, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1075,1076,1005,1006,
&end
#
# 0 AMB 20-2:428 162 LEU HA 4.50 (# 428:20 Single Ambig)
&rst
ixpk= 428, nxpk= 20, iat= -1,1048, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1055,1056,1057,1059,1060,1061,1055,1056,1057,1059,
1060,1061,
&end
#
# 0 AMB 20-2:429 174 ARG HA 2.80 (# 429:20 Single Ambig)
&rst
ixpk= 429, nxpk= 20, iat= -1,1270, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1272,1273,1272,1273,
&end
#
# 120 LEU HB- 120 LEU HA 4.50 (# 430:20 Unique 2.41, 2.80 A)
&rst
ixpk= 430, nxpk= 20, iat= -1, 367, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 369, 370,
&end
#
# 0 AMB 20-2:431 155 MET HA 4.50 (# 431:20 Single Ambig)
&rst
ixpk= 431, nxpk= 20, iat= -1, 938, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 940, 941, 940, 941,
&end
#
# 0 AMB 20-2:432 155 MET HA 4.50 (# 432:20 Single Ambig)
&rst
ixpk= 432, nxpk= 20, iat= -1, 938, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 947, 948, 949, 912, 913,
&end
#
# 152 ILE QG2 155 MET HA 2.80 (# 433:20 Unique 2.20, 3.08 A)
&rst
ixpk= 433, nxpk= 20, iat= -1, 938, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 895, 896, 897,
&end
#
# 140 LEU HB+ 140 LEU HA 4.50 (# 434:20 Unique 2.41, 2.73 A)
&rst
ixpk= 434, nxpk= 20, iat= -1, 695, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 697, 698,
&end
#
# 140 LEU MDX 140 LEU HA 3.50 (# 435:20 Unique 2.28, 3.91 A)
&rst
ixpk= 435, nxpk= 20, iat= -1, 695, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 702, 703, 704, 706, 707, 708,
&end
#
# 135 ILE QD1 140 LEU HA 4.50 (# 436:20 Unique 2.40, 3.34 A)
&rst
ixpk= 436, nxpk= 20, iat= -1, 695, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 628, 629, 630,
&end
#
# 0 AMB 20-2:437 140 LEU HA 4.50 (# 437:20 Single Ambig)
&rst
ixpk= 437, nxpk= 20, iat= -1, 695, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 755, 756, 755, 756,
&end
#
# 0 AMB 20-2:438 140 LEU HA 6.00 (# 438:20 Single Ambig)
&rst
ixpk= 438, nxpk= 20, iat= -1, 695, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 700, 779, 780, 781,
&end
#
# 140 LEU HB- 140 LEU HA 6.00 (# 439:20 Unique 2.41, 2.73 A)
&rst
ixpk= 439, nxpk= 20, iat= -1, 695, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 697, 698,
&end
#
# 127 THR MG2 140 LEU HA 4.50 (# 440:20 Unique 2.23, 3.51 A)
&rst
ixpk= 440, nxpk= 20, iat= -1, 695, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 490, 491, 492,
&end
#
# 0 AMB 20-2:441 165 MET HA 2.80 (# 441:20 Single Ambig)
&rst
ixpk= 441, nxpk= 20, iat= -1,1108, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1113,1114,1110,1111,
&end
#
# 0 AMB 20-2:442 165 MET HA 3.20 (# 442:20 Single Ambig)
&rst
ixpk= 442, nxpk= 20, iat= -1,1108, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1=1110,1111,1094,1095,1094,1095,
&end
#
# 0 AMB 20-2:443 0 AMB 20-1:443 8.00 (# 443:20 Double Ambig)
&rst
ixpk= 443, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1=1536,1537, 469, 470,
igr2=1519, 541,
&end
#
# 0 AMB 20-2:444 130 ARG HA 2.80 (# 444:20 Single Ambig)
&rst
ixpk= 444, nxpk= 20, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 543, 544, 521, 522,
&end
#
# 0 AMB 20-2:445 130 ARG HA 3.50 (# 445:20 Single Ambig)
&rst
ixpk= 445, nxpk= 20, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 546, 547, 524, 525,
&end
#
# 0 AMB 20-2:446 191 GLU HA 3.20 (# 446:20 Single Ambig)
&rst
ixpk= 446, nxpk= 20, iat= -1,1519, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1=1524,1525,1524,1525,
&end
#
# 191 GLU HB+ 191 GLU HA 3.20 (# 447:20 Unique 2.37, 2.73 A)
&rst
ixpk= 447, nxpk= 20, iat= -1,1519, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1521,1522,
&end
#
# 191 GLU HB- 191 GLU HA 2.80 (# 448:20 Unique 2.37, 2.73 A)
&rst
ixpk= 448, nxpk= 20, iat= -1,1519, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1521,1522,
&end
#
# 0 AMB 20-2:449 187 GLU HA 3.20 (# 449:20 Single Ambig)
&rst
ixpk= 449, nxpk= 20, iat= -1,1469, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1=1474,1475,1474,1475,
&end
#
# 187 GLU HB+ 187 GLU HA 2.80 (# 450:20 Unique 2.36, 2.67 A)
&rst
ixpk= 450, nxpk= 20, iat= -1,1469, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1471,1472,
&end
#
# 0 AMB 20-2:451 187 GLU HA 6.00 (# 451:20 Single Ambig)
&rst
ixpk= 451, nxpk= 20, iat= -1,1469, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1461,1462,1463,1497,1498,1499,
&end
#
# 187 GLU HB- 187 GLU HA 2.80 (# 452:20 Unique 2.36, 2.67 A)
&rst
ixpk= 452, nxpk= 20, iat= -1,1469, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1471,1472,
&end
#
# 193 GLU HG- 193 GLU HA 3.50 (# 453:20 Unique 2.43, 3.35 A)
&rst
ixpk= 453, nxpk= 20, iat= -1,1553, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1558,1559,
&end
#
# 0 AMB 20-2:454 193 GLU HA 2.80 (# 454:20 Single Ambig)
&rst
ixpk= 454, nxpk= 20, iat= -1,1553, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1555,1556,1555,1556,
&end
#
# 0 AMB 20-2:455 184 GLU HA 3.20 (# 455:20 Single Ambig)
&rst
ixpk= 455, nxpk= 20, iat= -1,1433, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1=1438,1439,1438,1439,
&end
#
# 184 GLU HB- 184 GLU HA 2.80 (# 456:20 Unique 2.38, 2.69 A)
&rst
ixpk= 456, nxpk= 20, iat= -1,1433, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1435,1436,
&end
#
# 184 GLU HB+ 184 GLU HA 2.80 (# 457:20 Unique 2.38, 2.69 A)
&rst
ixpk= 457, nxpk= 20, iat= -1,1433, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1435,1436,
&end
#
# 0 AMB 20-2:458 0 AMB 20-1:458 2.80 (# 458:20 Double Ambig)
&rst
ixpk= 458, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 194, 195, 122, 123, 170, 171,
igr2= 192, 120, 168,
&end
#
# 0 AMB 20-2:459 0 AMB 20-1:459 2.80 (# 459:20 Double Ambig)
&rst
ixpk= 459, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 149, 150, 149, 150, 125, 126, 125, 126, 173, 174,
173, 174, 197, 198, 197, 198, 173, 174, 149, 150,
197, 198, 125, 126,
igr2= 144, 120, 168, 192,
&end
#
# 0 AMB 20-2:460 180 GLU HA 6.00 (# 460:20 Single Ambig)
&rst
ixpk= 460, nxpk= 20, iat= -1,1377, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1=1365,1366,1367,1369,1370,1371,1365,1366,1367,1369,
1370,1371,1343,1344,1345,
&end
#
# 180 GLU HG- 180 GLU HA 3.50 (# 461:20 Unique 2.32, 3.28 A)
&rst
ixpk= 461, nxpk= 20, iat= -1,1377, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1382,1383,
&end
#
# 180 GLU HB- 180 GLU HA 3.50 (# 462:20 Unique 2.35, 2.71 A)
&rst
ixpk= 462, nxpk= 20, iat= -1,1377, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1379,1380,
&end
#
# 192 LEU HB+ 192 LEU HA 3.50 (# 463:20 Unique 2.28, 2.74 A)
&rst
ixpk= 463, nxpk= 20, iat= -1,1534, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1536,1537,
&end
#
# 192 LEU MDX 192 LEU HA 3.50 (# 464:20 Unique 2.23, 3.90 A)
&rst
ixpk= 464, nxpk= 20, iat= -1,1534, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1541,1542,1543,1545,1546,1547,
&end
#
# 180 GLU HB+ 180 GLU HA 8.00 (# 465:20 Unique 2.35, 2.71 A)
&rst
ixpk= 465, nxpk= 20, iat= -1,1377, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1379,1380,
&end
#
# 182 GLU HG- 182 GLU HA 3.50 (# 466:20 Unique 2.41, 3.34 A)
&rst
ixpk= 466, nxpk= 20, iat= -1,1399, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1404,1405,
&end
#
# 182 GLU HB- 182 GLU HA 2.80 (# 467:20 Unique 2.34, 2.69 A)
&rst
ixpk= 467, nxpk= 20, iat= -1,1399, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1401,1402,
&end
#
# 0 AMB 20-2:468 182 GLU HA 2.80 (# 468:20 Single Ambig)
&rst
ixpk= 468, nxpk= 20, iat= -1,1399, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1401,1402,1162,1163,
&end
#
# 0 AMB 20-2:469 182 GLU HA 6.00 (# 469:20 Single Ambig)
&rst
ixpk= 469, nxpk= 20, iat= -1,1399, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1365,1366,1367,1369,1370,1371,1365,1366,1367,1369,
1370,1371,
&end
#
# 183 ILE HG1+ 182 GLU HA 6.00 (# 470:20 Unique 3.63, 5.10 A)
&rst
ixpk= 470, nxpk= 20, iat= -1,1399, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1422,1423,
&end
#
# 192 LEU HB- 192 LEU HA 4.50 (# 471:20 Unique 2.28, 2.74 A)
&rst
ixpk= 471, nxpk= 20, iat= -1,1534, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1536,1537,
&end
#
# 0 AMB 20-2:472 124 ALA HA 6.00 (# 472:20 Single Ambig)
&rst
ixpk= 472, nxpk= 20, iat= -1, 435, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 502, 503, 826, 827, 447,
&end
#
# 0 AMB 20-2:473 124 ALA HA 4.50 (# 473:20 Single Ambig)
&rst
ixpk= 473, nxpk= 20, iat= -1, 435, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 494, 490, 491, 492,
&end
#
# 140 LEU MDX 124 ALA HA 4.50 (# 474:20 Unique 2.66, 4.90 A)
&rst
ixpk= 474, nxpk= 20, iat= -1, 435, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 702, 703, 704, 706, 707, 708,
&end
#
# 144 ILE HG1- 124 ALA HA 3.50 (# 475:20 Unique 2.05, 2.57 A)
&rst
ixpk= 475, nxpk= 20, iat= -1, 435, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 776, 777,
&end
#
# 124 ALA MB 124 ALA HA 2.80 (# 476:20 Unique 2.42, 2.66 A)
&rst
ixpk= 476, nxpk= 20, iat= -1, 435, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 437, 438, 439,
&end
#
# 0 AMB 20-2:477 124 ALA HA 4.50 (# 477:20 Single Ambig)
&rst
ixpk= 477, nxpk= 20, iat= -1, 435, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 427, 428, 429, 502, 503,
&end
#
# 0 AMB 20-2:478 124 ALA HA 2.80 (# 478:20 Single Ambig)
&rst
ixpk= 478, nxpk= 20, iat= -1, 435, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 779, 780, 781, 772, 773, 774,
&end
#
# 144 ILE HG1+ 124 ALA HA 2.80 (# 479:20 Unique 2.05, 2.57 A)
&rst
ixpk= 479, nxpk= 20, iat= -1, 435, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 776, 777,
&end
#
# 159 MET HB+ 159 MET HA 4.50 (# 480:20 Unique 2.45, 2.76 A)
&rst
ixpk= 480, nxpk= 20, iat= -1,1003, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1005,1006,
&end
#
# 162 LEU HB- 159 MET HA 3.50 (# 481:20 Unique 2.20, 2.91 A)
&rst
ixpk= 481, nxpk= 20, iat= -1,1003, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1050,1051,
&end
#
# 0 AMB 20-2:482 159 MET HA 6.00 (# 482:20 Single Ambig)
&rst
ixpk= 482, nxpk= 20, iat= -1,1003, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr1=1053, 507, 508, 509, 511, 512, 513,
&end
#
# 120 LEU HB- 117 ALA HA 3.20 (# 483:20 Unique 2.57, 3.38 A)
&rst
ixpk= 483, nxpk= 20, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 369, 370,
&end
#
# 0 AMB 20-2:484 117 ALA HA 6.00 (# 484:20 Single Ambig)
&rst
ixpk= 484, nxpk= 20, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 308, 309, 372,
&end
#
# 120 LEU MDY 117 ALA HA 3.20 (# 485:20 Unique 2.49, 4.94 A)
&rst
ixpk= 485, nxpk= 20, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 374, 375, 376, 378, 379, 380,
&end
#
# 120 LEU MDX 117 ALA HA 6.00 (# 486:20 Unique 2.49, 4.94 A)
&rst
ixpk= 486, nxpk= 20, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 374, 375, 376, 378, 379, 380,
&end
#
# 0 AMB 20-2:487 117 ALA HA 6.00 (# 487:20 Single Ambig)
&rst
ixpk= 487, nxpk= 20, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 305, 306, 388, 389, 347, 348,
&end
#
# 0 AMB 20-2:488 117 ALA HA 2.80 (# 488:20 Single Ambig)
&rst
ixpk= 488, nxpk= 20, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1= 327, 328, 329, 391, 392,
&end
#
# 120 LEU HB+ 117 ALA HA 3.50 (# 489:20 Unique 2.57, 3.38 A)
&rst
ixpk= 489, nxpk= 20, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 369, 370,
&end
#
# 120 LEU HB+ 118 ALA HA 6.00 (# 490:20 Unique 5.29, 6.04 A)
&rst
ixpk= 490, nxpk= 20, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 369, 370,
&end
#
# 0 AMB 20-2:491 159 MET HA 4.50 (# 491:20 Single Ambig)
&rst
ixpk= 491, nxpk= 20, iat= -1,1003, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1055,1056,1057,1059,1060,1061,1055,1056,1057,1059,
1060,1061,
&end
#
# 152 ILE QD1 151 GLU HA 6.00 (# 492:20 Unique 5.67, 6.33 A)
&rst
ixpk= 492, nxpk= 20, iat= -1, 876, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 902, 903, 904,
&end
#
# 0 AMB 20-2:493 151 GLU HA 3.50 (# 493:20 Single Ambig)
&rst
ixpk= 493, nxpk= 20, iat= -1, 876, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 881, 882, 789, 790,
&end
#
# 151 GLU HG- 151 GLU HA 3.50 (# 494:20 Unique 2.41, 3.29 A)
&rst
ixpk= 494, nxpk= 20, iat= -1, 876, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 881, 882,
&end
#
# 0 AMB 20-2:495 151 GLU HA 2.80 (# 495:20 Single Ambig)
&rst
ixpk= 495, nxpk= 20, iat= -1, 876, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 878, 879, 878, 879,
&end
#
# 120 LEU MDX 151 GLU HA 6.00 (# 496:20 Unique 3.55, 5.57 A)
&rst
ixpk= 496, nxpk= 20, iat= -1, 876, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 374, 375, 376, 378, 379, 380,
&end
#
# 0 AMB 20-2:497 151 GLU HA 6.00 (# 497:20 Single Ambig)
&rst
ixpk= 497, nxpk= 20, iat= -1, 876, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 719, 720, 716, 717,
&end
#
# 152 ILE HG1- 151 GLU HA 4.50 (# 498:20 Unique 3.60, 4.44 A)
&rst
ixpk= 498, nxpk= 20, iat= -1, 876, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 899, 900,
&end
#
# 121 ARG HB- 118 ALA HA 3.50 (# 499:20 Unique 2.35, 3.17 A)
&rst
ixpk= 499, nxpk= 20, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 388, 389,
&end
#
# 121 ARG HB+ 118 ALA HA 3.50 (# 500:20 Unique 2.35, 3.17 A)
&rst
ixpk= 500, nxpk= 20, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 388, 389,
&end
#
# 0 AMB 20-2:501 118 ALA HA 2.80 (# 501:20 Single Ambig)
&rst
ixpk= 501, nxpk= 20, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1= 337, 338, 339, 391, 392,
&end
#
# 0 AMB 20-2:502 173 TYR HA 6.00 (# 502:20 Single Ambig)
&rst
ixpk= 502, nxpk= 20, iat= -1,1249, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1272,1273,1272,1273,1215,1216,
&end
#
# 173 TYR HB- 173 TYR HA 3.50 (# 503:20 Unique 2.31, 2.71 A)
&rst
ixpk= 503, nxpk= 20, iat= -1,1249, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1251,1252,
&end
#
# 126 LYS HG- 123 ALA HA 6.00 (# 504:20 Unique 3.44, 4.69 A)
&rst
ixpk= 504, nxpk= 20, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 469, 470,
&end
#
# 0 AMB 20-2:505 123 ALA HA 3.50 (# 505:20 Single Ambig)
&rst
ixpk= 505, nxpk= 20, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 829, 830, 415, 416,
&end
#
# 126 LYS HB+ 123 ALA HA 3.20 (# 506:20 Unique 2.34, 3.29 A)
&rst
ixpk= 506, nxpk= 20, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 466, 467,
&end
#
# 126 LYS HB- 123 ALA HA 3.20 (# 507:20 Unique 2.34, 3.29 A)
&rst
ixpk= 507, nxpk= 20, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 466, 467,
&end
#
# 123 ALA MB 123 ALA HA 2.80 (# 508:20 Unique 2.41, 2.66 A)
&rst
ixpk= 508, nxpk= 20, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 427, 428, 429,
&end
#
# 144 ILE QG2 123 ALA HA 6.00 (# 509:20 Unique 4.83, 6.17 A)
&rst
ixpk= 509, nxpk= 20, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 772, 773, 774,
&end
#
# 112 ARG HB+ 112 ARG HA 3.50 (# 510:20 Unique 2.43, 2.69 A)
&rst
ixpk= 510, nxpk= 20, iat= -1, 247, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 249, 250,
&end
#
# 0 AMB 20-2:511 112 ARG HA 3.50 (# 511:20 Single Ambig)
&rst
ixpk= 511, nxpk= 20, iat= -1, 247, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 252, 253, 249, 250,
&end
#
# 150 LEU HB- 150 LEU HA 8.00 (# 512:20 Unique 2.34, 2.68 A)
&rst
ixpk= 512, nxpk= 20, iat= -1, 857, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 859, 860,
&end
#
# 150 LEU MDX 150 LEU HA 4.50 (# 513:20 Unique 2.22, 4.14 A)
&rst
ixpk= 513, nxpk= 20, iat= -1, 857, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 864, 865, 866, 868, 869, 870,
&end
#
# 189 ALA MB 189 ALA HA 2.80 (# 514:20 Unique 2.43, 2.66 A)
&rst
ixpk= 514, nxpk= 20, iat= -1,1495, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1497,1498,1499,
&end
#
# 0 AMB 20-2:515 134 ALA HA 6.00 (# 515:20 Single Ambig)
&rst
ixpk= 515, nxpk= 20, iat= -1, 607, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1306,1307,1303,1304,
&end
#
# 172 PRO HG+ 134 ALA HA 6.00 (# 516:20 Unique 3.72, 4.84 A)
&rst
ixpk= 516, nxpk= 20, iat= -1, 607, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1237,1238,
&end
#
# 0 AMB 20-2:517 134 ALA HA 3.50 (# 517:20 Single Ambig)
&rst
ixpk= 517, nxpk= 20, iat= -1, 607, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1341,1303,1304,
&end
#
# 134 ALA MB 134 ALA HA 2.80 (# 518:20 Unique 2.44, 2.66 A)
&rst
ixpk= 518, nxpk= 20, iat= -1, 607, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 609, 610, 611,
&end
#
# 178 ILE HG1+ 134 ALA HA 4.50 (# 519:20 Unique 2.52, 3.97 A)
&rst
ixpk= 519, nxpk= 20, iat= -1, 607, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1347,1348,
&end
#
# 178 ILE QD1 134 ALA HA 2.80 (# 520:20 Unique 2.34, 3.59 A)
&rst
ixpk= 520, nxpk= 20, iat= -1, 607, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1350,1351,1352,
&end
#
# 0 AMB 20-2:521 186 ALA HA 6.00 (# 521:20 Single Ambig)
&rst
ixpk= 521, nxpk= 20, iat= -1,1459, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1474,1475,1474,1475,1438,1439,1438,1439,
&end
#
# 111 ALA MB 111 ALA HA 2.80 (# 522:20 Unique 2.45, 2.66 A)
&rst
ixpk= 522, nxpk= 20, iat= -1, 237, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 239, 240, 241,
&end
#
# 153 PRO HB- 153 PRO HD+ 4.50 (# 523:20 Unique 2.81, 3.67 A)
&rst
ixpk= 523, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 915, 916,
igr2= 909, 910,
&end
#
# 153 PRO HG+ 153 PRO HD+ 2.80 (# 524:20 Unique 2.33, 2.61 A)
&rst
ixpk= 524, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 912, 913,
igr2= 909, 910,
&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= 4.44, r4= 4.94,
igr1= 912, 913, 915, 916,
igr2= 909, 910, 909, 910,
&end
#
# 0 AMB 20-2:526 0 AMB 20-1:526 6.00 (# 526:20 Double Ambig)
&rst
ixpk= 526, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1= 308, 309, 893, 372, 859, 860,
igr2= 909, 910, 909, 910, 909, 910, 909, 910,
&end
#
# 120 LEU MDY 153 PRO HD+ 4.50 (# 527:20 Unique 2.35, 4.40 A)
&rst
ixpk= 527, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 374, 375, 376, 378, 379, 380,
igr2= 909, 910,
&end
#
# 0 AMB 20-2:528 0 AMB 20-1:528 6.00 (# 528:20 Double Ambig)
&rst
ixpk= 528, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 878, 879, 878, 879,
igr2= 909, 910, 909, 910,
&end
#
# 152 ILE HG1- 153 PRO HD+ 6.00 (# 529:20 Unique 2.71, 4.87 A)
&rst
ixpk= 529, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 899, 900,
igr2= 909, 910,
&end
#
# 0 AMB 20-2:530 0 AMB 20-1:530 3.50 (# 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= 895, 896, 897, 374, 375, 376, 378, 379, 380,
igr2= 909, 910, 909, 910,
&end
#
# 0 AMB 20-2:531 153 PRO HD- 3.50 (# 531:20 Single Ambig)
&rst
ixpk= 531, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 895, 896, 897, 374, 375, 376, 378, 379, 380,
igr2= 909, 910,
&end
#
# 120 LEU MDY 153 PRO HD- 6.00 (# 532:20 Unique 2.35, 4.40 A)
&rst
ixpk= 532, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 374, 375, 376, 378, 379, 380,
igr2= 909, 910,
&end
#
# 0 AMB 20-2:533 0 AMB 20-1:533 2.80 (# 533:20 Double Ambig)
&rst
ixpk= 533, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 912, 913, 64, 65, 276, 277, 915, 916,
igr2= 909, 910, 58, 59, 270, 271,
&end
#
# 0 AMB 20-2:534 0 AMB 20-1:534 3.50 (# 534:20 Double Ambig)
&rst
ixpk= 534, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 64, 65, 276, 277, 915, 916,
igr2= 58, 59, 270, 271, 909, 910,
&end
#
# 0 AMB 20-2:535 0 AMB 20-1:535 2.80 (# 535:20 Double Ambig)
&rst
ixpk= 535, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 61, 62, 912, 913, 273, 274,
igr2= 58, 59, 909, 910, 270, 271,
&end
#
# 0 AMB 20-2:536 153 PRO HD- 4.50 (# 536:20 Single Ambig)
&rst
ixpk= 536, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 308, 309, 893, 372, 859, 860,
igr2= 909, 910,
&end
#
# 133 ALA MB 133 ALA HA 2.80 (# 537:20 Unique 2.45, 2.67 A)
&rst
ixpk= 537, nxpk= 20, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 599, 600, 601,
&end
#
# 134 ALA MB 133 ALA HA 6.00 (# 538:20 Unique 4.60, 5.22 A)
&rst
ixpk= 538, nxpk= 20, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 609, 610, 611,
&end
#
# 178 ILE QD1 133 ALA HA 3.50 (# 539:20 Unique 2.53, 3.68 A)
&rst
ixpk= 539, nxpk= 20, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1350,1351,1352,
&end
#
# 0 AMB 20-2:540 0 AMB 20-1:540 3.50 (# 540:20 Double Ambig)
&rst
ixpk= 540, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 64, 65, 276, 277,
igr2= 58, 59, 270, 271,
&end
#
# 0 AMB 20-2:541 0 AMB 20-1:541 2.80 (# 541:20 Double Ambig)
&rst
ixpk= 541, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 61, 62, 273, 274,
igr2= 58, 59, 270, 271,
&end
#
# 0 AMB 20-2:542 0 AMB 20-1:542 3.20 (# 542:20 Double Ambig)
&rst
ixpk= 542, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 64, 65, 276, 277,
igr2= 58, 59, 270, 271,
&end
#
# 0 AMB 20-2:543 0 AMB 20-1:543 3.50 (# 543:20 Double Ambig)
&rst
ixpk= 543, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 249, 250, 252, 253,
igr2= 270, 271, 270, 271,
&end
#
# 111 ALA MB 113 PRO HD+ 6.00 (# 544:20 Unique 5.45, 7.25 A)
&rst
ixpk= 544, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 239, 240, 241,
igr2= 270, 271,
&end
#
# 0 AMB 20-2:545 0 AMB 20-1:545 6.00 (# 545:20 Double Ambig)
&rst
ixpk= 545, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
igr1= 369, 370, 239, 240, 241,
igr2= 909, 910, 270, 271,
&end
#
# 0 AMB 20-2:546 167 PRO HD- 4.50 (# 546:20 Single Ambig)
&rst
ixpk= 546, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1151,1152,1165,1166,
igr2=1145,1146,
&end
#
# 0 AMB 20-2:547 167 PRO HD- 2.80 (# 547:20 Single Ambig)
&rst
ixpk= 547, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1148,1149,1151,1152,
igr2=1145,1146,
&end
#
# 0 AMB 20-2:548 0 AMB 20-1:548 3.50 (# 548:20 Double Ambig)
&rst
ixpk= 548, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1151,1152,1165,1166,
igr2=1145,1146,1145,1146,
&end
#
# 0 AMB 20-2:549 0 AMB 20-1:549 2.80 (# 549:20 Double Ambig)
&rst
ixpk= 549, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1148,1149,1151,1152,
igr2=1145,1146,1145,1146,
&end
#
# 0 AMB 20-2:550 0 AMB 20-1:550 2.80 (# 550:20 Double Ambig)
&rst
ixpk= 550, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1237,1238,1193,1194,1193,1194,
igr2=1234,1235,1234,1235,1234,1235,
&end
#
# 0 AMB 20-2:551 0 AMB 20-1:551 4.50 (# 551:20 Double Ambig)
&rst
ixpk= 551, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1196,1197,1341,1199,1200,
igr2=1234,1235,1234,1235,1234,1235,
&end
#
# 178 ILE QG2 172 PRO HD+ 3.50 (# 552:20 Unique 2.13, 3.56 A)
&rst
ixpk= 552, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1343,1344,1345,
igr2=1234,1235,
&end
#
# 172 PRO HB- 172 PRO HD+ 4.50 (# 553:20 Unique 2.67, 3.62 A)
&rst
ixpk= 553, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1240,1241,
igr2=1234,1235,
&end
#
# 172 PRO HB- 172 PRO HD- 4.50 (# 554:20 Unique 2.67, 3.62 A)
&rst
ixpk= 554, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1240,1241,
igr2=1234,1235,
&end
#
# 0 AMB 20-2:555 172 PRO HD- 2.80 (# 555:20 Single Ambig)
&rst
ixpk= 555, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1237,1238,1193,1194,1193,1194,
igr2=1234,1235,
&end
#
# 0 AMB 20-2:556 172 PRO HD- 3.50 (# 556:20 Single Ambig)
&rst
ixpk= 556, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1237,1238,1199,1200,
igr2=1234,1235,
&end
#
# 0 AMB 20-2:557 172 PRO HD- 4.50 (# 557:20 Single Ambig)
&rst
ixpk= 557, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1196,1197,1341,1199,1200,
igr2=1234,1235,
&end
#
# 178 ILE QG2 172 PRO HD- 3.50 (# 558:20 Unique 2.13, 3.56 A)
&rst
ixpk= 558, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1343,1344,1345,
igr2=1234,1235,
&end
#
# 145 GLU HG- 145 GLU HA 2.80 (# 559:20 Unique 2.34, 2.73 A)
&rst
ixpk= 559, nxpk= 20, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 792, 793,
&end
#
# 0 AMB 20-2:560 148 SER HA 4.50 (# 560:20 Single Ambig)
&rst
ixpk= 560, nxpk= 20, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 356, 357, 356, 357,
&end
#
# 160 GLN HG+ 160 GLN HA 3.50 (# 561:20 Unique 2.53, 3.01 A)
&rst
ixpk= 561, nxpk= 20, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1025,1026,
&end
#
# 142 LYS HE+ 139 GLU HA 4.50 (# 562:20 Unique 2.33, 4.07 A)
&rst
ixpk= 562, nxpk= 20, iat= -1, 680, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 742, 743,
&end
#
# 158 PHE HB- 155 MET HA 4.50 (# 563:20 Unique 2.43, 3.73 A)
&rst
ixpk= 563, nxpk= 20, iat= -1, 938, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 985, 986,
&end
#
# 0 AMB 20-2:564 155 MET HA 4.50 (# 564:20 Single Ambig)
&rst
ixpk= 564, nxpk= 20, iat= -1, 938, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 943, 944, 943, 944,
&end
#
# 158 PHE HB+ 155 MET HA 3.50 (# 565:20 Unique 2.43, 3.73 A)
&rst
ixpk= 565, nxpk= 20, iat= -1, 938, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 985, 986,
&end
#
# 195 HIS HB- 195 HIS HA 4.50 (# 566:20 Unique 2.29, 2.68 A)
&rst
ixpk= 566, nxpk= 20, iat= -1,1586, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1588,1589,
&end
#
# 0 AMB 20-2:567 0 AMB 20-1:567 4.50 (# 567:20 Double Ambig)
&rst
ixpk= 567, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 549, 550, 549, 550,1570,1571,
igr2= 541,1519,
&end
#
# 195 HIS HB+ 195 HIS HA 3.50 (# 568:20 Unique 2.29, 2.68 A)
&rst
ixpk= 568, nxpk= 20, iat= -1,1586, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1588,1589,
&end
#
# 0 AMB 20-2:569 0 AMB 20-1:569 3.50 (# 569:20 Double Ambig)
&rst
ixpk= 569, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 152, 153, 152, 153, 128, 129, 128, 129, 176, 177,
176, 177, 176, 177,
igr2= 144, 120, 168,
&end
#
# 196 HIS HB+ 196 HIS HA 3.50 (# 570:20 Unique 2.35, 2.65 A)
&rst
ixpk= 570, nxpk= 20, iat= -1,1604, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1606,1607,
&end
#
# 196 HIS HB- 196 HIS HA 3.20 (# 571:20 Unique 2.35, 2.65 A)
&rst
ixpk= 571, nxpk= 20, iat= -1,1604, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1606,1607,
&end
#
# 159 MET HG+ 159 MET HA 4.50 (# 572:20 Unique 2.31, 3.09 A)
&rst
ixpk= 572, nxpk= 20, iat= -1,1003, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1008,1009,
&end
#
# 121 ARG HD+ 118 ALA HA 6.00 (# 573:20 Unique 2.73, 4.55 A)
&rst
ixpk= 573, nxpk= 20, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 394, 395,
&end
#
# 145 GLU HG- 151 GLU HA 2.80 (# 574:20 Unique 2.17, 3.06 A)
&rst
ixpk= 574, nxpk= 20, iat= -1, 876, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 792, 793,
&end
#
# 121 ARG HD- 118 ALA HA 6.00 (# 575:20 Unique 2.73, 4.55 A)
&rst
ixpk= 575, nxpk= 20, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 394, 395,
&end
#
# 173 TYR HB+ 173 TYR HA 3.20 (# 576:20 Unique 2.31, 2.71 A)
&rst
ixpk= 576, nxpk= 20, iat= -1,1249, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1251,1252,
&end
#
# 126 LYS HE+ 123 ALA HA 6.00 (# 577:20 Unique 3.09, 5.17 A)
&rst
ixpk= 577, nxpk= 20, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 475, 476,
&end
#
# 0 AMB 20-2:578 112 ARG HA 6.00 (# 578:20 Single Ambig)
&rst
ixpk= 578, nxpk= 20, iat= -1, 247, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 255, 256, 255, 256,
&end
#
# 0 AMB 20-2:579 101 ASP HA 3.20 (# 579:20 Single Ambig)
&rst
ixpk= 579, nxpk= 20, iat= -1, 73, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 75, 76, 75, 76,
&end
#
# 158 PHE HB- 153 PRO HD+ 6.00 (# 580:20 Unique 2.93, 4.64 A)
&rst
ixpk= 580, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 985, 986,
igr2= 909, 910,
&end
#
# 0 AMB 20-2:581 0 AMB 20-1:581 6.00 (# 581:20 Double Ambig)
&rst
ixpk= 581, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 314, 315, 314, 315,
igr2= 909, 910, 909, 910,
&end
#
# 0 AMB 20-2:582 0 AMB 20-1:582 4.50 (# 582:20 Double Ambig)
&rst
ixpk= 582, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 255, 256, 255, 256, 985, 986,
igr2= 270, 271, 909, 910,
&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= 9.52, r4=10.02,
igr1= 255, 256, 255, 256,
igr2= 270, 271, 270, 271,
&end
#
# 166 TYR HB+ 167 PRO HD- 6.00 (# 584:20 Unique 4.04, 4.82 A)
&rst
ixpk= 584, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1127,1128,
igr2=1145,1146,
&end
#
# 166 TYR HB- 167 PRO HD- 6.00 (# 585:20 Unique 4.04, 4.82 A)
&rst
ixpk= 585, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1127,1128,
igr2=1145,1146,
&end
#
# 176 GLN HN 175 GLY HA+ 6.00 (# 586:20 Unique 3.09, 3.35 A)
&rst
ixpk= 586, nxpk= 20, iat=1299, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1294,1295,
&end
#
# 149 GLY HN 149 GLY HA+ 2.80 (# 587:20 Unique 2.30, 2.63 A)
&rst
ixpk= 587, nxpk= 20, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 850, 851,
&end
#
# 150 LEU HN 149 GLY HA+ 4.50 (# 588:20 Unique 3.13, 3.33 A)
&rst
ixpk= 588, nxpk= 20, iat= 855, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 850, 851,
&end
#
# 150 LEU HN 149 GLY HA- 3.50 (# 589:20 Unique 3.13, 3.33 A)
&rst
ixpk= 589, nxpk= 20, iat= 855, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 850, 851,
&end
#
# 148 SER HN 149 GLY HA- 6.00 (# 590:20 Unique 4.76, 5.08 A)
&rst
ixpk= 590, nxpk= 20, iat= 837, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 850, 851,
&end
#
# 149 GLY HN 149 GLY HA- 2.80 (# 591:20 Unique 2.30, 2.63 A)
&rst
ixpk= 591, nxpk= 20, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 850, 851,
&end
#
# 176 GLN HN 175 GLY HA- 4.50 (# 592:20 Unique 3.09, 3.35 A)
&rst
ixpk= 592, nxpk= 20, iat=1299, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1294,1295,
&end
#
# 0 AMB 20-2:593 0 AMB 20-1:593 3.50 (# 593:20 Double Ambig)
&rst
ixpk= 593, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 290, 221,
igr2= 285, 286, 216, 217, 216, 217,
&end
#
# 181 GLY HN 181 GLY HA+ 3.50 (# 594:20 Unique 2.31, 2.62 A)
&rst
ixpk= 594, nxpk= 20, iat=1390, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1392,1393,
&end
#
# 182 GLU HN 181 GLY HA- 2.80 (# 595:20 Unique 2.15, 2.61 A)
&rst
ixpk= 595, nxpk= 20, iat=1397, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1392,1393,
&end
#
# 181 GLY HN 181 GLY HA- 2.80 (# 596:20 Unique 2.31, 2.62 A)
&rst
ixpk= 596, nxpk= 20, iat=1390, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1392,1393,
&end
#
# 101 ASP HN 0 AMB 20-1:597 3.50 (# 597:20 Single Ambig)
&rst
ixpk= 597, nxpk= 20, iat= 71, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 75, 76, 75, 76,
&end
#
# 158 PHE HD 158 PHE HB- 3.50 (# 598:20 Unique 2.38, 3.08 A)
&rst
ixpk= 598, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 989, 997,
igr2= 985, 986,
&end
#
# 177 TYR HD 177 TYR HB- 3.50 (# 599:20 Unique 2.33, 3.08 A)
&rst
ixpk= 599, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1324,1333,
igr2=1320,1321,
&end
#
# 0 AMB 20-2:600 0 AMB 20-1:600 4.50 (# 600:20 Double Ambig)
&rst
ixpk= 600, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1255,1264, 678,
igr2=1251,1252, 647, 648, 647, 648,
&end
#
# 177 TYR HA 177 TYR HB- 4.50 (# 601:20 Unique 2.47, 2.77 A)
&rst
ixpk= 601, nxpk= 20, iat=1318, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1320,1321,
&end
#
# 101 ASP HA 0 AMB 20-1:602 2.80 (# 602:20 Single Ambig)
&rst
ixpk= 602, nxpk= 20, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 75, 76, 75, 76,
&end
#
# 173 TYR HA 173 TYR HB+ 3.50 (# 603:20 Unique 2.31, 2.71 A)
&rst
ixpk= 603, nxpk= 20, iat=1249, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1251,1252,
&end
#
# 130 ARG HA 0 AMB 20-1:604 4.50 (# 604:20 Single Ambig)
&rst
ixpk= 604, nxpk= 20, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 549, 550, 549, 550,
&end
#
# 0 AMB 20-2:605 0 AMB 20-1:605 3.50 (# 605:20 Double Ambig)
&rst
ixpk= 605, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 144, 120, 168, 106,
igr2= 152, 153, 152, 153, 128, 129, 128, 129, 176, 177,
176, 177, 176, 177, 128, 129,
&end
#
# 173 TYR HA 173 TYR HB- 6.00 (# 606:20 Unique 2.31, 2.71 A)
&rst
ixpk= 606, nxpk= 20, iat=1249, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1251,1252,
&end
#
# 180 GLU HA 181 GLY HA+ 6.00 (# 607:20 Unique 4.38, 4.48 A)
&rst
ixpk= 607, nxpk= 20, iat=1377, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1392,1393,
&end
#
# 180 GLU HA 181 GLY HA- 6.00 (# 608:20 Unique 4.38, 4.48 A)
&rst
ixpk= 608, nxpk= 20, iat=1377, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1392,1393,
&end
#
# 182 GLU HA 181 GLY HA- 6.00 (# 609:20 Unique 4.33, 4.56 A)
&rst
ixpk= 609, nxpk= 20, iat=1399, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1392,1393,
&end
#
# 177 TYR HD 177 TYR HB+ 4.50 (# 610:20 Unique 2.33, 3.08 A)
&rst
ixpk= 610, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1324,1333,
igr2=1320,1321,
&end
#
# 173 TYR HD 173 TYR HB- 4.50 (# 611:20 Unique 2.38, 3.08 A)
&rst
ixpk= 611, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1255,1264,
igr2=1251,1252,
&end
#
# 150 LEU HA 150 LEU HB- 6.00 (# 612:20 Unique 2.34, 2.68 A)
&rst
ixpk= 612, nxpk= 20, iat= 857, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 859, 860,
&end
#
# 178 ILE HA 178 ILE HB 4.50 (# 613:20 Unique 2.52, 2.57 A)
&rst
ixpk= 613, nxpk= 20, iat=1339,1341, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 192 LEU HA 192 LEU HB- 6.00 (# 614:20 Unique 2.28, 2.74 A)
&rst
ixpk= 614, nxpk= 20, iat=1534, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1536,1537,
&end
#
# 135 ILE HA 135 ILE HB 4.50 (# 615:20 Unique 2.37, 2.42 A)
&rst
ixpk= 615, nxpk= 20, iat= 617, 619, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 192 LEU HA 192 LEU HB+ 4.50 (# 616:20 Unique 2.28, 2.74 A)
&rst
ixpk= 616, nxpk= 20, iat=1534, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1536,1537,
&end
#
# 0 AMB 20-2:617 121 ARG HD- 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= 391, 392, 412, 413, 412, 413,
igr2= 394, 395,
&end
#
# 0 AMB 20-2:618 121 ARG HD- 6.00 (# 618:20 Single Ambig)
&rst
ixpk= 618, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1=1113,1114,1117,1118,1119,
igr2= 394, 395,
&end
#
# 0 AMB 20-2:619 121 ARG HD- 3.50 (# 619:20 Single Ambig)
&rst
ixpk= 619, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 391, 392, 327, 328, 329,
igr2= 394, 395,
&end
#
# 0 AMB 20-2:620 121 ARG HD- 6.00 (# 620:20 Single Ambig)
&rst
ixpk= 620, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1055,1056,1057,1059,1060,1061, 453, 454,
igr2= 394, 395,
&end
#
# 121 ARG HB+ 121 ARG HD+ 3.50 (# 621:20 Unique 2.25, 3.17 A)
&rst
ixpk= 621, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 388, 389,
igr2= 394, 395,
&end
#
# 0 AMB 20-2:622 0 AMB 20-1:622 3.50 (# 622:20 Double Ambig)
&rst
ixpk= 622, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 391, 392, 412, 413,
igr2= 394, 395, 394, 395,
&end
#
# 0 AMB 20-2:623 0 AMB 20-1:623 3.20 (# 623:20 Double Ambig)
&rst
ixpk= 623, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 391, 392, 327, 328, 329,
igr2= 394, 395, 394, 395,
&end
#
# 0 AMB 20-2:624 0 AMB 20-1:624 6.00 (# 624:20 Double Ambig)
&rst
ixpk= 624, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1=1055,1056,1057,1059,1060,1061,1055,1056,1057,1059,
1060,1061,
igr2= 394, 395, 394, 395,
&end
#
# 0 AMB 20-2:625 177 TYR HB- 4.50 (# 625:20 Single Ambig)
&rst
ixpk= 625, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 507, 508, 509, 511, 512, 513,1179,1180,1181,1183,
1184,1185,
igr2=1320,1321,
&end
#
# 0 AMB 20-2:626 177 TYR HB- 4.50 (# 626:20 Single Ambig)
&rst
ixpk= 626, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1= 507, 508, 509, 511, 512, 513, 700,
igr2=1320,1321,
&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= 5.09, r4= 5.59,
igr1= 252, 253, 252, 253, 252, 253,
igr2= 255, 256, 255, 256, 255, 256,
&end
#
# 0 AMB 20-2:628 0 AMB 20-1:628 2.80 (# 628:20 Double Ambig)
&rst
ixpk= 628, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 249, 250, 249, 250,
igr2= 255, 256, 255, 256,
&end
#
# 0 AMB 20-2:629 0 AMB 20-1:629 2.80 (# 629:20 Double Ambig)
&rst
ixpk= 629, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1275,1276,1275,1276, 469, 470,
igr2=1278,1279,1278,1279, 549, 550,
&end
#
# 0 AMB 20-2:630 0 AMB 20-1:630 2.80 (# 630:20 Double Ambig)
&rst
ixpk= 630, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
igr1= 546, 547, 546, 547, 170, 171, 122, 123, 122, 123,
1272,1273,1272,1273, 146, 147, 146, 147, 146, 147,
igr2= 549, 550, 549, 550, 176, 177, 176, 177, 128, 129,
128, 129,1278,1279,1278,1279, 152, 153, 152, 153,
152, 153,
&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= 7.83, r4= 8.33,
igr1= 546, 547, 149, 150, 149, 150, 173, 174, 173, 174,
173, 174,1275,1276, 125, 126, 125, 126, 125, 126,
igr2= 549, 550, 549, 550, 152, 153, 152, 153, 176, 177,
176, 177, 176, 177,1278,1279,1278,1279, 128, 129,
128, 129, 128, 129,
&end
#
# 0 AMB 20-2:632 0 AMB 20-1:632 3.20 (# 632:20 Double Ambig)
&rst
ixpk= 632, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 197, 198, 197, 198, 197, 198,
igr2= 200, 201, 200, 201, 200, 201,
&end
#
# 0 AMB 20-2:633 0 AMB 20-1:633 2.80 (# 633:20 Double Ambig)
&rst
ixpk= 633, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 350, 351, 807, 808,
igr2= 356, 357, 356, 357, 813, 814,
&end
#
# 0 AMB 20-2:634 0 AMB 20-1:634 3.20 (# 634:20 Double Ambig)
&rst
ixpk= 634, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
igr1= 733, 734, 733, 734, 347, 348, 804, 805, 804, 805,
912, 913, 881, 882,
igr2= 742, 743, 742, 743, 356, 357, 356, 357, 813, 814,
813, 814, 314, 315, 314, 315,
&end
#
# 0 AMB 20-2:635 0 AMB 20-1:635 3.50 (# 635:20 Double Ambig)
&rst
ixpk= 635, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.63, r4= 9.13,
igr1= 305, 306, 305, 306, 347, 348, 347, 348, 638, 639,
1088,1089,1088,1089,
igr2= 314, 315, 314, 315, 356, 357, 356, 357, 647, 648,
647, 648,1097,1098,1097,1098,
&end
#
# 0 AMB 20-2:636 0 AMB 20-1:636 2.80 (# 636:20 Double Ambig)
&rst
ixpk= 636, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1=1215,1216, 353, 354, 353, 354, 353, 354, 739, 740,
739, 740, 810, 811, 739, 740,
igr2=1224,1225, 356, 357, 356, 357, 356, 357, 742, 743,
742, 743, 813, 814, 813, 814, 813, 814,
&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= 7.64, r4= 8.14,
igr1= 685, 686, 758, 759,
igr2= 647, 648, 647, 648, 742, 743,
&end
#
# 0 AMB 20-2:638 0 AMB 20-1:638 3.50 (# 638:20 Double Ambig)
&rst
ixpk= 638, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.63, r4= 9.13,
igr1= 638, 639, 638, 639, 912, 913, 912, 913, 881, 882,
881, 882,1022,1023, 412, 413,
igr2= 647, 648, 647, 648, 314, 315, 314, 315, 314, 315,
1097,1098, 356, 357,
&end
#
# 0 AMB 20-2:639 0 AMB 20-1:639 4.50 (# 639:20 Double Ambig)
&rst
ixpk= 639, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 864, 865, 866, 868, 869, 870, 864, 865, 866, 868,
869, 870,1078,1079,1080,
igr2= 314, 315, 314, 315, 314, 315,1224,1225,
&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= 7.64, r4= 8.14,
igr1=1218,1219, 859, 860,
igr2=1224,1225, 314, 315, 314, 315,
&end
#
# 129 LYS HG- 129 LYS HE- 3.50 (# 641:20 Unique 2.40, 3.21 A)
&rst
ixpk= 641, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 524, 525,
igr2= 530, 531,
&end
#
# 0 AMB 20-2:642 129 LYS HE- 4.50 (# 642:20 Single Ambig)
&rst
ixpk= 642, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 521, 522, 521, 522,1401,1402,
igr2= 530, 531,
&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= 4.44, r4= 4.94,
igr1=1221,1222,1221,1222,
igr2=1224,1225,1224,1225,
&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= 5.54, r4= 6.04,
igr1= 472, 473, 472, 473, 527, 528, 527, 528, 524, 525,
igr2= 475, 476, 475, 476, 530, 531,
&end
#
# 126 LYS HG- 0 AMB 20-1:645 3.50 (# 645:20 Single Ambig)
&rst
ixpk= 645, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 469, 470,
igr2= 475, 476, 530, 531,
&end
#
# 150 LEU HB- 0 AMB 20-1:646 4.50 (# 646:20 Single Ambig)
&rst
ixpk= 646, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 859, 860,
igr2= 314, 315, 314, 315,
&end
#
# 163 ILE QD1 171 LYS HE+ 4.50 (# 647:20 Unique 2.77, 5.57 A)
&rst
ixpk= 647, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1078,1079,1080,
igr2=1224,1225,
&end
#
# 122 GLU HG- 126 LYS HE+ 8.00 (# 648:20 Unique 2.21, 5.09 A)
&rst
ixpk= 648, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 415, 416,
igr2= 475, 476,
&end
#
# 0 AMB 20-2:649 0 AMB 20-1:649 6.00 (# 649:20 Double Ambig)
&rst
ixpk= 649, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1404,1405, 829, 830,
igr2= 530, 531, 475, 476,
&end
#
# 0 AMB 20-2:650 129 LYS HE- 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= 449, 450, 451,1365,1366,1367,1369,1370,1371,1425,
1426,1427,
igr2= 530, 531,
&end
#
# 0 AMB 20-2:651 0 AMB 20-1:651 4.50 (# 651:20 Double Ambig)
&rst
ixpk= 651, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 521, 522, 521, 522,1401,1402,
igr2= 530, 531, 530, 531, 530, 531,
&end
#
# 0 AMB 20-2:652 0 AMB 20-1:652 2.80 (# 652:20 Double Ambig)
&rst
ixpk= 652, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 527, 528, 527, 528, 524, 525,
igr2= 530, 531, 530, 531, 530, 531,
&end
#
# 0 AMB 20-2:653 0 AMB 20-1:653 4.50 (# 653:20 Double Ambig)
&rst
ixpk= 653, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1422,1423, 524, 525,
igr2= 530, 531, 530, 531,
&end
#
# 0 AMB 20-2:654 0 AMB 20-1:654 4.50 (# 654:20 Double Ambig)
&rst
ixpk= 654, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 449, 450, 451,1425,1426,1427,
igr2= 530, 531, 530, 531,
&end
#
# 150 LEU HG 150 LEU HB- 4.50 (# 655:20 Unique 2.50, 2.82 A)
&rst
ixpk= 655, nxpk= 20, iat= 862, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 859, 860,
&end
#
# 0 AMB 20-2:656 0 AMB 20-1:656 4.50 (# 656:20 Double Ambig)
&rst
ixpk= 656, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 507, 508, 509, 511, 512, 513,1179,1180,1181,1183,
1184,1185,
igr2=1320,1321,1320,1321,
&end
#
# 0 AMB 20-2:657 0 AMB 20-1:657 4.50 (# 657:20 Double Ambig)
&rst
ixpk= 657, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 507, 508, 509, 511, 512, 513, 700,
igr2=1320,1321,1320,1321,
&end
#
# 120 LEU MDY 120 LEU HB- 6.00 (# 658:20 Unique 2.30, 3.29 A)
&rst
ixpk= 658, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 374, 375, 376, 378, 379, 380,
igr2= 369, 370,
&end
#
# 0 AMB 20-2:659 0 AMB 20-1:659 6.00 (# 659:20 Double Ambig)
&rst
ixpk= 659, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1= 507, 508, 509, 511, 512, 513,1179,1180,1181,1183,
1184,1185,
igr2= 502, 503, 502, 503,
&end
#
# 0 AMB 20-2:660 0 AMB 20-1:660 6.00 (# 660:20 Double Ambig)
&rst
ixpk= 660, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1360,1361, 505,
igr2= 502, 503, 502, 503,
&end
#
# 135 ILE HG1+ 140 LEU HB- 6.00 (# 661:20 Unique 2.31, 3.89 A)
&rst
ixpk= 661, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 625, 626,
igr2= 697, 698,
&end
#
# 0 AMB 20-2:662 140 LEU HB- 6.00 (# 662:20 Single Ambig)
&rst
ixpk= 662, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 621, 622, 623, 702, 703, 704, 706, 707, 708,
igr2= 697, 698,
&end
#
# 140 LEU HG 140 LEU HB- 6.00 (# 663:20 Unique 2.43, 2.74 A)
&rst
ixpk= 663, nxpk= 20, iat= 700, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 697, 698,
&end
#
# 176 GLN HB+ 173 TYR HB- 6.00 (# 664:20 Unique 2.14, 3.58 A)
&rst
ixpk= 664, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1303,1304,
igr2=1251,1252,
&end
#
# 179 LEU HG 179 LEU HB+ 6.00 (# 665:20 Unique 2.43, 2.78 A)
&rst
ixpk= 665, nxpk= 20, iat=1363, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1360,1361,
&end
#
# 163 ILE HG1- 162 LEU HB+ 4.50 (# 666:20 Unique 3.45, 5.05 A)
&rst
ixpk= 666, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1075,1076,
igr2=1050,1051,
&end
#
# 0 AMB 20-2:667 0 AMB 20-1:667 4.50 (# 667:20 Double Ambig)
&rst
ixpk= 667, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.82, r4=10.32,
igr1=1365,1366,1367,1369,1370,1371,1365,1366,1367,1369,
1370,1371,1179,1180,1181,1183,1184,1185,
igr2=1360,1361,1360,1361,1360,1361,
&end
#
# 162 LEU MDX 162 LEU HB+ 4.50 (# 668:20 Unique 2.32, 3.34 A)
&rst
ixpk= 668, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1055,1056,1057,1059,1060,1061,
igr2=1050,1051,
&end
#
# 162 LEU HG 162 LEU HB+ 6.00 (# 669:20 Unique 2.32, 2.72 A)
&rst
ixpk= 669, nxpk= 20, iat=1053, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1050,1051,
&end
#
# 150 LEU HG 150 LEU HB+ 4.50 (# 670:20 Unique 2.50, 2.82 A)
&rst
ixpk= 670, nxpk= 20, iat= 862, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 859, 860,
&end
#
# 179 LEU HB- 128 LEU HB- 8.00 (# 671:20 Unique 2.23, 3.24 A)
&rst
ixpk= 671, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1360,1361,
igr2= 502, 503,
&end
#
# 135 ILE HG1- 135 ILE HB 4.50 (# 672:20 Unique 2.49, 2.79 A)
&rst
ixpk= 672, nxpk= 20, iat= -1, 619, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 625, 626,
&end
#
# 178 ILE HG1+ 178 ILE HB 6.00 (# 673:20 Unique 2.44, 2.77 A)
&rst
ixpk= 673, nxpk= 20, iat= -1,1341, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1347,1348,
&end
#
# 0 AMB 20-2:674 0 AMB 20-1:674 3.50 (# 674:20 Double Ambig)
&rst
ixpk= 674, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 864, 865, 866, 868, 869, 870, 864, 865, 866, 868,
869, 870,
igr2= 859, 860, 859, 860,
&end
#
# 0 AMB 20-2:675 150 LEU HB- 3.50 (# 675:20 Single Ambig)
&rst
ixpk= 675, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 864, 865, 866, 868, 869, 870, 864, 865, 866, 868,
869, 870,
igr2= 859, 860,
&end
#
# 178 ILE QG2 178 ILE HB 3.20 (# 676:20 Unique 2.40, 2.67 A)
&rst
ixpk= 676, nxpk= 20, iat= -1,1341, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1=1343,1344,1345,
&end
#
# 120 LEU MDY 120 LEU HB+ 4.50 (# 677:20 Unique 2.30, 3.29 A)
&rst
ixpk= 677, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 374, 375, 376, 378, 379, 380,
igr2= 369, 370,
&end
#
# 0 AMB 20-2:678 128 LEU HB- 4.50 (# 678:20 Single Ambig)
&rst
ixpk= 678, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1365,1366,1367,1369,1370,1371, 507, 508, 509, 511,
512, 513,
igr2= 502, 503,
&end
#
# 0 AMB 20-2:679 0 AMB 20-1:679 4.50 (# 679:20 Double Ambig)
&rst
ixpk= 679, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 507, 508, 509, 511, 512, 513,1541,1542,1543,1545,
1546,1547,
igr2= 502, 503,1536,1537,
&end
#
# 0 AMB 20-2:680 0 AMB 20-1:680 4.50 (# 680:20 Double Ambig)
&rst
ixpk= 680, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr1=1541,1542,1543,1545,1546,1547,1179,1180,1181,1183,
1184,1185, 453, 454,
igr2=1536,1537, 502, 503,
&end
#
# 135 ILE QD1 135 ILE HB 4.50 (# 681:20 Unique 2.43, 3.09 A)
&rst
ixpk= 681, nxpk= 20, iat= -1, 619, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 628, 629, 630,
&end
#
# 135 ILE QG2 135 ILE HB 3.50 (# 682:20 Unique 2.44, 2.67 A)
&rst
ixpk= 682, nxpk= 20, iat= -1, 619, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 621, 622, 623,
&end
#
# 192 LEU MDY 192 LEU HB- 4.50 (# 683:20 Unique 2.42, 3.33 A)
&rst
ixpk= 683, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1541,1542,1543,1545,1546,1547,
igr2=1536,1537,
&end
#
# 0 AMB 20-2:684 0 AMB 20-1:684 4.50 (# 684:20 Double Ambig)
&rst
ixpk= 684, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 621, 622, 623, 702, 703, 704, 706, 707, 708,
igr2= 697, 698, 697, 698,
&end
#
# 140 LEU HG 140 LEU HB+ 4.50 (# 685:20 Unique 2.43, 2.74 A)
&rst
ixpk= 685, nxpk= 20, iat= 700, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 697, 698,
&end
#
# 158 PHE HE 158 PHE HB- 6.00 (# 686:20 Unique 4.66, 5.11 A)
&rst
ixpk= 686, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 991, 995,
igr2= 985, 986,
&end
#
# 159 MET HN 158 PHE HB+ 6.00 (# 687:20 Unique 2.79, 3.51 A)
&rst
ixpk= 687, nxpk= 20, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 985, 986,
&end
#
# 158 PHE HN 158 PHE HB+ 4.50 (# 688:20 Unique 2.31, 2.57 A)
&rst
ixpk= 688, nxpk= 20, iat= 981, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 985, 986,
&end
#
# 158 PHE HD 158 PHE HB+ 3.50 (# 689:20 Unique 2.38, 3.08 A)
&rst
ixpk= 689, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 989, 997,
igr2= 985, 986,
&end
#
# 157 THR HN 154 ASN HB+ 6.00 (# 690:20 Unique 3.17, 3.99 A)
&rst
ixpk= 690, nxpk= 20, iat= 967, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 926, 927,
&end
#
# 154 ASN HD2- 154 ASN HB+ 3.50 (# 691:20 Unique 2.22, 3.26 A)
&rst
ixpk= 691, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 931, 932,
igr2= 926, 927,
&end
#
# 154 ASN HN 154 ASN HB+ 4.50 (# 692:20 Unique 2.90, 3.16 A)
&rst
ixpk= 692, nxpk= 20, iat= 922, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 926, 927,
&end
#
# 154 ASN HD2+ 154 ASN HB+ 4.50 (# 693:20 Unique 2.22, 3.26 A)
&rst
ixpk= 693, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 931, 932,
igr2= 926, 927,
&end
#
# 154 ASN HD2- 154 ASN HB- 3.50 (# 694:20 Unique 2.22, 3.26 A)
&rst
ixpk= 694, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 931, 932,
igr2= 926, 927,
&end
#
# 154 ASN HD2+ 154 ASN HB- 3.50 (# 695:20 Unique 2.22, 3.26 A)
&rst
ixpk= 695, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 931, 932,
igr2= 926, 927,
&end
#
# 154 ASN HN 154 ASN HB- 4.50 (# 696:20 Unique 2.90, 3.16 A)
&rst
ixpk= 696, nxpk= 20, iat= 922, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 926, 927,
&end
#
# 183 ILE HN 183 ILE HB 4.50 (# 697:20 Unique 2.26, 2.66 A)
&rst
ixpk= 697, nxpk= 20, iat=1412,1416, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 166 TYR HN 166 TYR HB+ 4.50 (# 698:20 Unique 2.60, 3.21 A)
&rst
ixpk= 698, nxpk= 20, iat=1123, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1127,1128,
&end
#
# 165 MET HN 166 TYR HB+ 6.00 (# 699:20 Unique 4.95, 5.72 A)
&rst
ixpk= 699, nxpk= 20, iat=1106, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1127,1128,
&end
#
# 0 AMB 20-2:700 190 ASN HB- 3.50 (# 700:20 Single Ambig)
&rst
ixpk= 700, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1503,1517,
igr2=1507,1508,
&end
#
# 190 ASN HD2+ 190 ASN HB- 4.50 (# 701:20 Unique 2.23, 3.20 A)
&rst
ixpk= 701, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1512,1513,
igr2=1507,1508,
&end
#
# 190 ASN HD2- 190 ASN HB- 6.00 (# 702:20 Unique 2.23, 3.20 A)
&rst
ixpk= 702, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1512,1513,
igr2=1507,1508,
&end
#
# 166 TYR HD 166 TYR HB- 3.50 (# 703:20 Unique 2.31, 3.07 A)
&rst
ixpk= 703, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1131,1140,
igr2=1127,1128,
&end
#
# 166 TYR HN 166 TYR HB- 6.00 (# 704:20 Unique 2.60, 3.21 A)
&rst
ixpk= 704, nxpk= 20, iat=1123, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1127,1128,
&end
#
# 190 ASN HD2- 190 ASN HB+ 6.00 (# 705:20 Unique 2.23, 3.20 A)
&rst
ixpk= 705, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1512,1513,
igr2=1507,1508,
&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= 4.95, r4= 5.45,
igr1=1503,1517,
igr2=1507,1508,1507,1508,
&end
#
# 190 ASN HD2+ 190 ASN HB+ 3.50 (# 707:20 Unique 2.23, 3.20 A)
&rst
ixpk= 707, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1512,1513,
igr2=1507,1508,
&end
#
# 99 ILE HN 99 ILE HB 4.50 (# 708:20 Unique 2.28, 3.10 A)
&rst
ixpk= 708, nxpk= 20, iat= 38, 42, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 164 LYS HN 163 ILE HB 4.50 (# 709:20 Unique 2.68, 2.80 A)
&rst
ixpk= 709, nxpk= 20, iat=1084,1069, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 132 ASN HD2+ 132 ASN HB- 3.50 (# 710:20 Unique 2.23, 3.21 A)
&rst
ixpk= 710, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 590, 591,
igr2= 585, 586,
&end
#
# 132 ASN HD2- 132 ASN HB- 4.50 (# 711:20 Unique 2.23, 3.21 A)
&rst
ixpk= 711, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 590, 591,
igr2= 585, 586,
&end
#
# 133 ALA HN 132 ASN HB+ 6.00 (# 712:20 Unique 2.53, 3.75 A)
&rst
ixpk= 712, nxpk= 20, iat= 595, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 585, 586,
&end
#
# 132 ASN HD2+ 132 ASN HB+ 3.50 (# 713:20 Unique 2.23, 3.21 A)
&rst
ixpk= 713, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 590, 591,
igr2= 585, 586,
&end
#
# 132 ASN HD2- 132 ASN HB+ 4.50 (# 714:20 Unique 2.23, 3.21 A)
&rst
ixpk= 714, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 590, 591,
igr2= 585, 586,
&end
#
# 0 AMB 20-2:715 144 ILE HB 3.50 (# 715:20 Single Ambig)
&rst
ixpk= 715, nxpk= 20, iat= -1, 770, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 766, 785,
&end
#
# 145 GLU HN 145 GLU HG+ 3.50 (# 716:20 Unique 2.26, 2.85 A)
&rst
ixpk= 716, nxpk= 20, iat= 785, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 792, 793,
&end
#
# 152 ILE HN 145 GLU HG+ 4.50 (# 717:20 Unique 2.59, 3.19 A)
&rst
ixpk= 717, nxpk= 20, iat= 889, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 792, 793,
&end
#
# 152 ILE HN 145 GLU HG- 4.50 (# 718:20 Unique 2.59, 3.19 A)
&rst
ixpk= 718, nxpk= 20, iat= 889, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 792, 793,
&end
#
# 145 GLU HN 145 GLU HG- 3.50 (# 719:20 Unique 2.26, 2.85 A)
&rst
ixpk= 719, nxpk= 20, iat= 785, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 792, 793,
&end
#
# 168 GLU HN 168 GLU HG- 6.00 (# 720:20 Unique 2.14, 3.36 A)
&rst
ixpk= 720, nxpk= 20, iat=1158, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1165,1166,
&end
#
# 168 GLU HN 168 GLU HG+ 4.50 (# 721:20 Unique 2.14, 3.36 A)
&rst
ixpk= 721, nxpk= 20, iat=1158, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1165,1166,
&end
#
# 143 GLU HN 143 GLU HG+ 2.80 (# 722:20 Unique 2.34, 3.04 A)
&rst
ixpk= 722, nxpk= 20, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 758, 759,
&end
#
# 143 GLU HN 143 GLU HG- 3.50 (# 723:20 Unique 2.34, 3.04 A)
&rst
ixpk= 723, nxpk= 20, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 758, 759,
&end
#
# 151 GLU HN 151 GLU HG+ 3.50 (# 724:20 Unique 2.08, 3.26 A)
&rst
ixpk= 724, nxpk= 20, iat= 874, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 881, 882,
&end
#
# 152 ILE HN 151 GLU HG+ 6.00 (# 725:20 Unique 3.79, 4.50 A)
&rst
ixpk= 725, nxpk= 20, iat= 889, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 881, 882,
&end
#
# 181 GLY HN 180 GLU HG- 6.00 (# 726:20 Unique 3.21, 4.59 A)
&rst
ixpk= 726, nxpk= 20, iat=1390, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1382,1383,
&end
#
# 152 ILE HN 151 GLU HG- 6.00 (# 727:20 Unique 3.79, 4.50 A)
&rst
ixpk= 727, nxpk= 20, iat= 889, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 881, 882,
&end
#
# 151 GLU HN 151 GLU HG- 4.50 (# 728:20 Unique 2.08, 3.26 A)
&rst
ixpk= 728, nxpk= 20, iat= 874, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 881, 882,
&end
#
# 122 GLU HN 122 GLU HG- 3.50 (# 729:20 Unique 2.39, 3.79 A)
&rst
ixpk= 729, nxpk= 20, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 415, 416,
&end
#
# 0 AMB 20-2:730 122 GLU HG- 4.50 (# 730:20 Single Ambig)
&rst
ixpk= 730, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 423, 462,
igr2= 415, 416,
&end
#
# 139 GLU HN 139 GLU HG+ 4.50 (# 731:20 Unique 2.16, 3.44 A)
&rst
ixpk= 731, nxpk= 20, iat= 678, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 685, 686,
&end
#
# 140 LEU HN 139 GLU HG+ 6.00 (# 732:20 Unique 3.80, 4.55 A)
&rst
ixpk= 732, nxpk= 20, iat= 693, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 685, 686,
&end
#
# 139 GLU HN 139 GLU HG- 4.50 (# 733:20 Unique 2.16, 3.44 A)
&rst
ixpk= 733, nxpk= 20, iat= 678, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 685, 686,
&end
#
# 180 GLU HN 180 GLU HG+ 4.50 (# 734:20 Unique 2.13, 3.71 A)
&rst
ixpk= 734, nxpk= 20, iat=1375, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1382,1383,
&end
#
# 181 GLY HN 180 GLU HG+ 6.00 (# 735:20 Unique 3.21, 4.59 A)
&rst
ixpk= 735, nxpk= 20, iat=1390, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1382,1383,
&end
#
# 180 GLU HN 180 GLU HG- 4.50 (# 736:20 Unique 2.13, 3.71 A)
&rst
ixpk= 736, nxpk= 20, iat=1375, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1382,1383,
&end
#
# 0 AMB 20-2:737 0 AMB 20-1:737 3.50 (# 737:20 Double Ambig)
&rst
ixpk= 737, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1517, 408,1397,1482,
igr2=1524,1525,1524,1525, 415, 416,1404,1405,1474,1475,
1474,1475,
&end
#
# 187 GLU HN 0 AMB 20-1:738 3.50 (# 738:20 Single Ambig)
&rst
ixpk= 738, nxpk= 20, iat=1467, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1474,1475,1474,1475,
&end
#
# 184 GLU HN 0 AMB 20-1:739 4.50 (# 739:20 Single Ambig)
&rst
ixpk= 739, nxpk= 20, iat=1431, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1438,1439,1438,1439,1404,1405,
&end
#
# 0 AMB 20-2:740 0 AMB 20-1:740 4.50 (# 740:20 Double Ambig)
&rst
ixpk= 740, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1584,1397,1412,1566,
igr2=1558,1559,1404,1405,1558,1559,
&end
#
# 193 GLU HN 193 GLU HG- 4.50 (# 741:20 Unique 2.04, 3.89 A)
&rst
ixpk= 741, nxpk= 20, iat=1551, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1558,1559,
&end
#
# 0 AMB 20-2:742 125 ILE HB 2.80 (# 742:20 Single Ambig)
&rst
ixpk= 742, nxpk= 20, iat= -1, 447, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 443, 462,
&end
#
# 147 GLU HN 147 GLU HG- 4.50 (# 743:20 Unique 2.57, 4.41 A)
&rst
ixpk= 743, nxpk= 20, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 829, 830,
&end
#
# 147 GLU HN 147 GLU HG+ 4.50 (# 744:20 Unique 2.57, 4.41 A)
&rst
ixpk= 744, nxpk= 20, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 829, 830,
&end
#
# 171 LYS HN 170 LYS HB+ 4.50 (# 745:20 Unique 2.39, 3.16 A)
&rst
ixpk= 745, nxpk= 20, iat=1211, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1193,1194,
&end
#
# 170 LYS HN 0 AMB 20-1:746 6.00 (# 746:20 Single Ambig)
&rst
ixpk= 746, nxpk= 20, iat=1189, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1193,1194,1193,1194,
&end
#
# 160 GLN HN 160 GLN HG+ 3.50 (# 747:20 Unique 2.36, 3.46 A)
&rst
ixpk= 747, nxpk= 20, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1025,1026,
&end
#
# 161 SER HN 160 GLN HG+ 6.00 (# 748:20 Unique 3.67, 4.68 A)
&rst
ixpk= 748, nxpk= 20, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1025,1026,
&end
#
# 160 GLN HE2+ 160 GLN HG+ 4.50 (# 749:20 Unique 2.36, 3.29 A)
&rst
ixpk= 749, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1030,1031,
igr2=1025,1026,
&end
#
# 160 GLN HE2- 160 GLN HG+ 6.00 (# 750:20 Unique 2.36, 3.29 A)
&rst
ixpk= 750, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1030,1031,
igr2=1025,1026,
&end
#
# 160 GLN HE2+ 160 GLN HG- 4.50 (# 751:20 Unique 2.36, 3.29 A)
&rst
ixpk= 751, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1030,1031,
igr2=1025,1026,
&end
#
# 160 GLN HN 160 GLN HG- 4.50 (# 752:20 Unique 2.36, 3.46 A)
&rst
ixpk= 752, nxpk= 20, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1025,1026,
&end
#
# 161 SER HN 160 GLN HG- 6.00 (# 753:20 Unique 3.67, 4.68 A)
&rst
ixpk= 753, nxpk= 20, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1025,1026,
&end
#
# 160 GLN HE2- 160 GLN HG- 4.50 (# 754:20 Unique 2.36, 3.29 A)
&rst
ixpk= 754, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1030,1031,
igr2=1025,1026,
&end
#
# 176 GLN HN 176 GLN HG+ 4.50 (# 755:20 Unique 3.14, 3.93 A)
&rst
ixpk= 755, nxpk= 20, iat=1299, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1306,1307,
&end
#
# 176 GLN HE2+ 176 GLN HG+ 3.20 (# 756:20 Unique 2.28, 3.21 A)
&rst
ixpk= 756, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1=1311,1312,
igr2=1306,1307,
&end
#
# 176 GLN HE2- 176 GLN HG+ 4.50 (# 757:20 Unique 2.28, 3.21 A)
&rst
ixpk= 757, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1311,1312,
igr2=1306,1307,
&end
#
# 0 AMB 20-2:758 176 GLN HG- 6.00 (# 758:20 Single Ambig)
&rst
ixpk= 758, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 634, 656,1292,
igr2=1306,1307,
&end
#
# 176 GLN HE2+ 176 GLN HG- 4.50 (# 759:20 Unique 2.28, 3.21 A)
&rst
ixpk= 759, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1311,1312,
igr2=1306,1307,
&end
#
# 166 TYR HN 165 MET HB+ 4.50 (# 760:20 Unique 2.55, 3.30 A)
&rst
ixpk= 760, nxpk= 20, iat=1123, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1110,1111,
&end
#
# 166 TYR HD 165 MET HB+ 4.50 (# 761:20 Unique 2.36, 4.62 A)
&rst
ixpk= 761, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1131,1140,
igr2=1110,1111,
&end
#
# 165 MET HN 165 MET HB+ 3.50 (# 762:20 Unique 2.24, 2.83 A)
&rst
ixpk= 762, nxpk= 20, iat=1106, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1110,1111,
&end
#
# 166 TYR HE 165 MET HB+ 8.00 (# 763:20 Unique 2.88, 5.10 A)
&rst
ixpk= 763, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1133,1138,
igr2=1110,1111,
&end
#
# 166 TYR HE 165 MET HB- 6.00 (# 764:20 Unique 2.88, 5.10 A)
&rst
ixpk= 764, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1133,1138,
igr2=1110,1111,
&end
#
# 0 AMB 20-2:765 0 AMB 20-1:765 3.50 (# 765:20 Double Ambig)
&rst
ixpk= 765, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 634, 656,
igr2= 638, 639, 638, 639,
&end
#
# 139 GLU HN 136 LYS HB+ 6.00 (# 766:20 Unique 2.53, 3.54 A)
&rst
ixpk= 766, nxpk= 20, iat= 678, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 638, 639,
&end
#
# 0 AMB 20-2:767 136 LYS HB- 3.20 (# 767:20 Single Ambig)
&rst
ixpk= 767, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 634, 656,
igr2= 638, 639,
&end
#
# 139 GLU HN 136 LYS HB- 4.50 (# 768:20 Unique 2.53, 3.54 A)
&rst
ixpk= 768, nxpk= 20, iat= 678, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 638, 639,
&end
#
# 176 GLN HN 176 GLN HB+ 6.00 (# 769:20 Unique 2.54, 3.24 A)
&rst
ixpk= 769, nxpk= 20, iat=1299, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1303,1304,
&end
#
# 126 LYS HN 126 LYS HB+ 2.80 (# 770:20 Unique 2.32, 2.81 A)
&rst
ixpk= 770, nxpk= 20, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 466, 467,
&end
#
# 126 LYS HN 126 LYS HB- 3.20 (# 771:20 Unique 2.32, 2.81 A)
&rst
ixpk= 771, nxpk= 20, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 466, 467,
&end
#
# 129 LYS HN 0 AMB 20-1:772 3.50 (# 772:20 Single Ambig)
&rst
ixpk= 772, nxpk= 20, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 521, 522, 521, 522,
&end
#
# 130 ARG HN 0 AMB 20-1:773 6.00 (# 773:20 Single Ambig)
&rst
ixpk= 773, nxpk= 20, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 521, 522, 521, 522,
&end
#
# 129 LYS HN 0 AMB 20-1:774 3.50 (# 774:20 Single Ambig)
&rst
ixpk= 774, nxpk= 20, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 521, 522, 521, 522,
&end
#
# 129 LYS HN 0 AMB 20-1:775 3.50 (# 775:20 Single Ambig)
&rst
ixpk= 775, nxpk= 20, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 521, 522, 521, 522,
&end
#
# 130 ARG HN 0 AMB 20-1:776 6.00 (# 776:20 Single Ambig)
&rst
ixpk= 776, nxpk= 20, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 521, 522, 521, 522,
&end
#
# 0 AMB 20-2:777 171 LYS HB- 3.50 (# 777:20 Single Ambig)
&rst
ixpk= 777, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1211,1247,
igr2=1215,1216,
&end
#
# 165 MET HN 165 MET HG+ 4.50 (# 778:20 Unique 2.38, 3.54 A)
&rst
ixpk= 778, nxpk= 20, iat=1106, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1113,1114,
&end
#
# 142 LYS HN 141 GLN HG+ 6.00 (# 779:20 Unique 3.36, 4.06 A)
&rst
ixpk= 779, nxpk= 20, iat= 729, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 719, 720,
&end
#
# 141 GLN HE2+ 141 GLN HG+ 4.50 (# 780:20 Unique 2.35, 3.14 A)
&rst
ixpk= 780, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 724, 725,
igr2= 719, 720,
&end
#
# 141 GLN HN 141 GLN HG+ 6.00 (# 781:20 Unique 4.38, 4.48 A)
&rst
ixpk= 781, nxpk= 20, iat= 712, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 719, 720,
&end
#
# 141 GLN HE2- 141 GLN HG+ 4.50 (# 782:20 Unique 2.35, 3.14 A)
&rst
ixpk= 782, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 724, 725,
igr2= 719, 720,
&end
#
# 156 THR HN 0 AMB 20-1:783 6.00 (# 783:20 Single Ambig)
&rst
ixpk= 783, nxpk= 20, iat= 953, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 940, 941, 940, 941,
&end
#
# 141 GLN HN 141 GLN HG- 4.50 (# 784:20 Unique 4.38, 4.48 A)
&rst
ixpk= 784, nxpk= 20, iat= 712, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 719, 720,
&end
#
# 141 GLN HE2- 141 GLN HG- 3.50 (# 785:20 Unique 2.35, 3.14 A)
&rst
ixpk= 785, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 724, 725,
igr2= 719, 720,
&end
#
# 141 GLN HE2+ 141 GLN HG- 4.50 (# 786:20 Unique 2.35, 3.14 A)
&rst
ixpk= 786, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 724, 725,
igr2= 719, 720,
&end
#
# 142 LYS HN 141 GLN HG- 4.50 (# 787:20 Unique 3.36, 4.06 A)
&rst
ixpk= 787, nxpk= 20, iat= 729, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 719, 720,
&end
#
# 142 LYS HN 142 LYS HB- 3.50 (# 788:20 Unique 2.35, 2.53 A)
&rst
ixpk= 788, nxpk= 20, iat= 729, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 733, 734,
&end
#
# 120 LEU HN 119 LYS HB- 4.50 (# 789:20 Unique 2.53, 3.22 A)
&rst
ixpk= 789, nxpk= 20, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 347, 348,
&end
#
# 142 LYS HN 0 AMB 20-1:790 4.50 (# 790:20 Single Ambig)
&rst
ixpk= 790, nxpk= 20, iat= 729, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 733, 734, 733, 734,
&end
#
# 0 AMB 20-2:791 0 AMB 20-1:791 2.80 (# 791:20 Double Ambig)
&rst
ixpk= 791, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 343, 800, 751,
igr2= 347, 348, 804, 805, 804, 805, 733, 734, 733, 734,
&end
#
# 0 AMB 20-2:792 0 AMB 20-1:792 6.00 (# 792:20 Double Ambig)
&rst
ixpk= 792, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 785, 766,
igr2= 804, 805, 804, 805, 804, 805, 733, 734, 733, 734,
733, 734,
&end
#
# 165 MET HN 165 MET HG- 6.00 (# 793:20 Unique 2.38, 3.54 A)
&rst
ixpk= 793, nxpk= 20, iat=1106, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1113,1114,
&end
#
# 0 AMB 20-2:794 165 MET HG- 6.00 (# 794:20 Single Ambig)
&rst
ixpk= 794, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1131,1140,1084,
igr2=1113,1114,
&end
#
# 116 LYS HN 116 LYS HB- 4.50 (# 795:20 Unique 2.34, 2.76 A)
&rst
ixpk= 795, nxpk= 20, iat= 301, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 305, 306,
&end
#
# 164 LYS HN 0 AMB 20-1:796 2.80 (# 796:20 Single Ambig)
&rst
ixpk= 796, nxpk= 20, iat=1084, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1088,1089,1088,1089,
&end
#
# 165 MET HN 0 AMB 20-1:797 3.50 (# 797:20 Single Ambig)
&rst
ixpk= 797, nxpk= 20, iat=1106, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1088,1089,1088,1089,
&end
#
# 0 AMB 20-2:798 0 AMB 20-1:798 3.50 (# 798:20 Double Ambig)
&rst
ixpk= 798, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 323, 365,
igr2= 305, 306, 347, 348,
&end
#
# 0 AMB 20-2:799 0 AMB 20-1:799 3.50 (# 799:20 Double Ambig)
&rst
ixpk= 799, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 343, 290,
igr2= 347, 348, 347, 348,
&end
#
# 154 ASN HN 153 PRO HB- 4.50 (# 800:20 Unique 2.51, 3.44 A)
&rst
ixpk= 800, nxpk= 20, iat= 922, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 915, 916,
&end
#
# 117 ALA HN 116 LYS HB- 4.50 (# 801:20 Unique 2.47, 3.32 A)
&rst
ixpk= 801, nxpk= 20, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 305, 306,
&end
#
# 180 GLU HN 180 GLU HB+ 3.50 (# 802:20 Unique 2.29, 3.08 A)
&rst
ixpk= 802, nxpk= 20, iat=1375, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1379,1380,
&end
#
# 152 ILE HN 0 AMB 20-1:803 3.50 (# 803:20 Single Ambig)
&rst
ixpk= 803, nxpk= 20, iat= 889, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 878, 879, 878, 879,
&end
#
# 151 GLU HN 0 AMB 20-1:804 3.20 (# 804:20 Single Ambig)
&rst
ixpk= 804, nxpk= 20, iat= 874, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 878, 879, 878, 879,
&end
#
# 159 MET HN 159 MET HG+ 4.50 (# 805:20 Unique 2.25, 2.98 A)
&rst
ixpk= 805, nxpk= 20, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1008,1009,
&end
#
# 158 PHE HD 159 MET HG+ 6.00 (# 806:20 Unique 2.21, 5.19 A)
&rst
ixpk= 806, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 989, 997,
igr2=1008,1009,
&end
#
# 180 GLU HN 180 GLU HB- 3.50 (# 807:20 Unique 2.29, 3.08 A)
&rst
ixpk= 807, nxpk= 20, iat=1375, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1379,1380,
&end
#
# 181 GLY HN 180 GLU HB- 4.50 (# 808:20 Unique 2.50, 3.80 A)
&rst
ixpk= 808, nxpk= 20, iat=1390, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1379,1380,
&end
#
# 0 AMB 20-2:809 121 ARG HB- 3.20 (# 809:20 Single Ambig)
&rst
ixpk= 809, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 384, 408,
igr2= 388, 389,
&end
#
# 0 AMB 20-2:810 0 AMB 20-1:810 4.50 (# 810:20 Double Ambig)
&rst
ixpk= 810, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 190, 214,
igr2= 194, 195, 194, 195, 170, 171, 170, 171,
&end
#
# 0 AMB 20-2:811 0 AMB 20-1:811 4.50 (# 811:20 Double Ambig)
&rst
ixpk= 811, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 190, 214,
igr2= 194, 195, 170, 171, 146, 147, 146, 147,
&end
#
# 0 AMB 20-2:812 182 GLU HB- 3.20 (# 812:20 Single Ambig)
&rst
ixpk= 812, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1=1412,1397,
igr2=1401,1402,
&end
#
# 0 AMB 20-2:813 0 AMB 20-1:813 2.80 (# 813:20 Double Ambig)
&rst
ixpk= 813, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 408,1412,1397,
igr2= 388, 389,1401,1402,1401,1402,
&end
#
# 107 ARG HN 107 ARG HB+ 4.50 (# 814:20 Unique 2.33, 3.03 A)
&rst
ixpk= 814, nxpk= 20, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 170, 171,
&end
#
# 107 ARG HN 0 AMB 20-1:815 3.50 (# 815:20 Single Ambig)
&rst
ixpk= 815, nxpk= 20, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 170, 171, 146, 147, 146, 147, 122, 123,
&end
#
# 0 AMB 20-2:816 0 AMB 20-1:816 3.20 (# 816:20 Double Ambig)
&rst
ixpk= 816, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 142, 118,
igr2= 146, 147, 146, 147, 122, 123, 122, 123,
&end
#
# 133 ALA HN 131 HIS HB- 4.50 (# 817:20 Unique 2.80, 4.59 A)
&rst
ixpk= 817, nxpk= 20, iat= 595, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 567, 568,
&end
#
# 131 HIS HN 131 HIS HB- 4.50 (# 818:20 Unique 2.32, 2.97 A)
&rst
ixpk= 818, nxpk= 20, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 567, 568,
&end
#
# 131 HIS HD2 131 HIS HB- 6.00 (# 819:20 Unique 2.55, 3.18 A)
&rst
ixpk= 819, nxpk= 20, iat= 577, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 567, 568,
&end
#
# 133 ALA HN 131 HIS HB+ 6.00 (# 820:20 Unique 2.80, 4.59 A)
&rst
ixpk= 820, nxpk= 20, iat= 595, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 567, 568,
&end
#
# 131 HIS HN 131 HIS HB+ 3.20 (# 821:20 Unique 2.32, 2.97 A)
&rst
ixpk= 821, nxpk= 20, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 567, 568,
&end
#
# 131 HIS HD2 131 HIS HB+ 4.50 (# 822:20 Unique 2.55, 3.18 A)
&rst
ixpk= 822, nxpk= 20, iat= 577, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 567, 568,
&end
#
# 0 AMB 20-2:823 169 VAL HB 3.50 (# 823:20 Single Ambig)
&rst
ixpk= 823, nxpk= 20, iat= -1,1177, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1173,1065,
&end
#
# 131 HIS HN 130 ARG HB+ 8.00 (# 824:20 Unique 2.59, 3.32 A)
&rst
ixpk= 824, nxpk= 20, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 543, 544,
&end
#
# 0 AMB 20-2:825 0 AMB 20-1:825 3.50 (# 825:20 Double Ambig)
&rst
ixpk= 825, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 539, 577,
igr2= 543, 544, 543, 544,
&end
#
# 0 AMB 20-2:826 130 ARG HB- 3.50 (# 826:20 Single Ambig)
&rst
ixpk= 826, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 539, 577,
igr2= 543, 544,
&end
#
# 142 LYS HN 0 AMB 20-1:827 6.00 (# 827:20 Single Ambig)
&rst
ixpk= 827, nxpk= 20, iat= 729, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 755, 756, 755, 756,
&end
#
# 144 ILE HN 0 AMB 20-1:828 3.20 (# 828:20 Single Ambig)
&rst
ixpk= 828, nxpk= 20, iat= 766, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 755, 756, 755, 756,
&end
#
# 143 GLU HN 0 AMB 20-1:829 2.80 (# 829:20 Single Ambig)
&rst
ixpk= 829, nxpk= 20, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 755, 756, 755, 756,
&end
#
# 184 GLU HN 184 GLU HB- 3.20 (# 830:20 Unique 2.35, 2.99 A)
&rst
ixpk= 830, nxpk= 20, iat=1431, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1435,1436,
&end
#
# 187 GLU HN 187 GLU HB- 3.20 (# 831:20 Unique 2.30, 2.96 A)
&rst
ixpk= 831, nxpk= 20, iat=1467, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1471,1472,
&end
#
# 184 GLU HN 184 GLU HB+ 3.20 (# 832:20 Unique 2.35, 2.99 A)
&rst
ixpk= 832, nxpk= 20, iat=1431, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1435,1436,
&end
#
# 0 AMB 20-2:833 0 AMB 20-1:833 4.50 (# 833:20 Double Ambig)
&rst
ixpk= 833, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1446,1457,
igr2=1435,1436,1435,1436,
&end
#
# 187 GLU HN 187 GLU HB+ 3.20 (# 834:20 Unique 2.30, 2.96 A)
&rst
ixpk= 834, nxpk= 20, iat=1467, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1471,1472,
&end
#
# 193 GLU HN 0 AMB 20-1:835 2.80 (# 835:20 Single Ambig)
&rst
ixpk= 835, nxpk= 20, iat=1551, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1555,1556,1555,1556,
&end
#
# 196 HIS HD2 196 HIS HB+ 3.50 (# 836:20 Unique 2.56, 3.25 A)
&rst
ixpk= 836, nxpk= 20, iat=1616, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1606,1607,
&end
#
# 196 HIS HD2 196 HIS HB- 3.50 (# 837:20 Unique 2.56, 3.25 A)
&rst
ixpk= 837, nxpk= 20, iat=1616, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1606,1607,
&end
#
# 148 SER HN 147 GLU HB- 4.50 (# 838:20 Unique 2.55, 3.33 A)
&rst
ixpk= 838, nxpk= 20, iat= 837, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 826, 827,
&end
#
# 147 GLU HN 147 GLU HB- 2.80 (# 839:20 Unique 2.26, 2.51 A)
&rst
ixpk= 839, nxpk= 20, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 826, 827,
&end
#
# 0 AMB 20-2:840 0 AMB 20-1:840 3.50 (# 840:20 Double Ambig)
&rst
ixpk= 840, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1517,1482,
igr2=1521,1522,1471,1472,
&end
#
# 192 LEU HN 191 GLU HB- 4.50 (# 841:20 Unique 2.78, 3.60 A)
&rst
ixpk= 841, nxpk= 20, iat=1532, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1521,1522,
&end
#
# 0 AMB 20-2:842 0 AMB 20-1:842 2.80 (# 842:20 Double Ambig)
&rst
ixpk= 842, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1517,1482, 837,
igr2=1521,1522,1471,1472, 826, 827,
&end
#
# 0 AMB 20-2:843 0 AMB 20-1:843 2.80 (# 843:20 Double Ambig)
&rst
ixpk= 843, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 822,1551,
igr2= 826, 827,1521,1522,
&end
#
# 112 ARG HN 112 ARG HB+ 4.50 (# 844:20 Unique 2.29, 3.12 A)
&rst
ixpk= 844, nxpk= 20, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 249, 250,
&end
#
# 112 ARG HN 112 ARG HB- 4.50 (# 845:20 Unique 2.29, 3.12 A)
&rst
ixpk= 845, nxpk= 20, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 249, 250,
&end
#
# 152 ILE HN 152 ILE HB 3.50 (# 846:20 Unique 2.18, 2.54 A)
&rst
ixpk= 846, nxpk= 20, iat= 889, 893, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 165 MET HN 165 MET HB- 3.50 (# 847:20 Unique 2.24, 2.83 A)
&rst
ixpk= 847, nxpk= 20, iat=1106, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1110,1111,
&end
#
# 0 AMB 20-2:848 163 ILE HG1- 3.50 (# 848:20 Single Ambig)
&rst
ixpk= 848, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1065,1173,
igr2=1075,1076,
&end
#
# 0 AMB 20-2:849 0 AMB 20-1:849 4.50 (# 849:20 Double Ambig)
&rst
ixpk= 849, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1211,1247,
igr2=1215,1216,1215,1216,
&end
#
# 141 GLN HE2+ 152 ILE HB 6.00 (# 850:20 Unique 2.29, 3.17 A)
&rst
ixpk= 850, nxpk= 20, iat= -1, 893, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 724, 725,
&end
#
# 158 PHE HA 158 PHE HB- 3.50 (# 851:20 Unique 2.31, 2.66 A)
&rst
ixpk= 851, nxpk= 20, iat= 983, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 985, 986,
&end
#
# 155 MET HA 158 PHE HB- 4.50 (# 852:20 Unique 2.43, 3.73 A)
&rst
ixpk= 852, nxpk= 20, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 985, 986,
&end
#
# 158 PHE HA 158 PHE HB+ 4.50 (# 853:20 Unique 2.31, 2.66 A)
&rst
ixpk= 853, nxpk= 20, iat= 983, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 985, 986,
&end
#
# 155 MET HA 158 PHE HB+ 4.50 (# 854:20 Unique 2.43, 3.73 A)
&rst
ixpk= 854, nxpk= 20, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 985, 986,
&end
#
# 154 ASN HA 154 ASN HB+ 3.20 (# 855:20 Unique 2.46, 2.77 A)
&rst
ixpk= 855, nxpk= 20, iat= 924, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 926, 927,
&end
#
# 157 THR HB 154 ASN HB+ 3.50 (# 856:20 Unique 2.47, 3.45 A)
&rst
ixpk= 856, nxpk= 20, iat= 971, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 926, 927,
&end
#
# 154 ASN HA 154 ASN HB- 2.80 (# 857:20 Unique 2.46, 2.77 A)
&rst
ixpk= 857, nxpk= 20, iat= 924, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 926, 927,
&end
#
# 157 THR HB 154 ASN HB- 4.50 (# 858:20 Unique 2.47, 3.45 A)
&rst
ixpk= 858, nxpk= 20, iat= 971, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 926, 927,
&end
#
# 166 TYR HA 166 TYR HB+ 4.50 (# 859:20 Unique 2.40, 2.74 A)
&rst
ixpk= 859, nxpk= 20, iat=1125, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1127,1128,
&end
#
# 0 AMB 20-2:860 0 AMB 20-1:860 6.00 (# 860:20 Double Ambig)
&rst
ixpk= 860, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1067,1145,1146,
igr2=1127,1128,1127,1128,
&end
#
# 190 ASN HA 190 ASN HB- 2.80 (# 861:20 Unique 2.42, 2.73 A)
&rst
ixpk= 861, nxpk= 20, iat=1505, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1507,1508,
&end
#
# 166 TYR HA 166 TYR HB- 3.50 (# 862:20 Unique 2.40, 2.74 A)
&rst
ixpk= 862, nxpk= 20, iat=1125, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1127,1128,
&end
#
# 190 ASN HA 190 ASN HB+ 2.80 (# 863:20 Unique 2.42, 2.73 A)
&rst
ixpk= 863, nxpk= 20, iat=1505, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1507,1508,
&end
#
# 132 ASN HA 132 ASN HB- 2.80 (# 864:20 Unique 2.40, 2.69 A)
&rst
ixpk= 864, nxpk= 20, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 585, 586,
&end
#
# 132 ASN HA 132 ASN HB+ 2.80 (# 865:20 Unique 2.40, 2.69 A)
&rst
ixpk= 865, nxpk= 20, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 585, 586,
&end
#
# 151 GLU HA 145 GLU HG+ 3.50 (# 866:20 Unique 2.17, 3.06 A)
&rst
ixpk= 866, nxpk= 20, iat= 876, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 792, 793,
&end
#
# 145 GLU HA 145 GLU HG+ 3.50 (# 867:20 Unique 2.34, 2.73 A)
&rst
ixpk= 867, nxpk= 20, iat= 787, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 792, 793,
&end
#
# 145 GLU HA 145 GLU HG- 3.20 (# 868:20 Unique 2.34, 2.73 A)
&rst
ixpk= 868, nxpk= 20, iat= 787, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 792, 793,
&end
#
# 151 GLU HA 145 GLU HG- 3.50 (# 869:20 Unique 2.17, 3.06 A)
&rst
ixpk= 869, nxpk= 20, iat= 876, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 792, 793,
&end
#
# 143 GLU HA 143 GLU HG+ 3.50 (# 870:20 Unique 2.26, 3.20 A)
&rst
ixpk= 870, nxpk= 20, iat= 753, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 758, 759,
&end
#
# 140 LEU HA 143 GLU HG+ 4.50 (# 871:20 Unique 3.20, 4.27 A)
&rst
ixpk= 871, nxpk= 20, iat= 695, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 758, 759,
&end
#
# 0 AMB 20-2:872 0 AMB 20-1:872 3.20 (# 872:20 Double Ambig)
&rst
ixpk= 872, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1020, 969,
igr2=1025,1026,1025,1026,
&end
#
# 0 AMB 20-2:873 0 AMB 20-1:873 4.50 (# 873:20 Double Ambig)
&rst
ixpk= 873, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 938, 660, 661, 660, 661,
igr2= 943, 944, 943, 944, 943, 944,
&end
#
# 137 SER HB- 0 AMB 20-1:874 4.50 (# 874:20 Single Ambig)
&rst
ixpk= 874, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 660, 661,
igr2= 943, 944, 943, 944,
&end
#
# 131 HIS HA 131 HIS HB- 3.50 (# 875:20 Unique 2.42, 2.77 A)
&rst
ixpk= 875, nxpk= 20, iat= 565, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 567, 568,
&end
#
# 195 HIS HA 195 HIS HB+ 3.50 (# 876:20 Unique 2.29, 2.68 A)
&rst
ixpk= 876, nxpk= 20, iat=1586, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1588,1589,
&end
#
# 196 HIS HA 196 HIS HB+ 3.20 (# 877:20 Unique 2.35, 2.65 A)
&rst
ixpk= 877, nxpk= 20, iat=1604, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1606,1607,
&end
#
# 195 HIS HA 195 HIS HB- 4.50 (# 878:20 Unique 2.29, 2.68 A)
&rst
ixpk= 878, nxpk= 20, iat=1586, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1588,1589,
&end
#
# 196 HIS HA 196 HIS HB- 2.80 (# 879:20 Unique 2.35, 2.65 A)
&rst
ixpk= 879, nxpk= 20, iat=1604, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1606,1607,
&end
#
# 152 ILE HA 152 ILE HB 4.50 (# 880:20 Unique 2.95, 3.03 A)
&rst
ixpk= 880, nxpk= 20, iat= 891, 893, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 151 GLU HA 152 ILE HB 6.00 (# 881:20 Unique 4.24, 4.76 A)
&rst
ixpk= 881, nxpk= 20, iat= 876, 893, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 183 ILE HA 183 ILE HB 3.50 (# 882:20 Unique 2.31, 2.79 A)
&rst
ixpk= 882, nxpk= 20, iat=1414,1416, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 100 PRO HD- 99 ILE HB 6.00 (# 883:20 Unique 2.20, 3.87 A)
&rst
ixpk= 883, nxpk= 20, iat= -1, 42, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 58, 59,
&end
#
# 99 ILE HA 99 ILE HB 4.50 (# 884:20 Unique 2.07, 2.70 A)
&rst
ixpk= 884, nxpk= 20, iat= 40, 42, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 160 GLN HA 163 ILE HB 4.50 (# 885:20 Unique 2.43, 2.67 A)
&rst
ixpk= 885, nxpk= 20, iat=1020,1069, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 163 ILE HA 163 ILE HB 4.50 (# 886:20 Unique 3.02, 3.03 A)
&rst
ixpk= 886, nxpk= 20, iat=1067,1069, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 141 GLN HA 144 ILE HB 4.50 (# 887:20 Unique 2.26, 2.33 A)
&rst
ixpk= 887, nxpk= 20, iat= 714, 770, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 144 ILE HA 144 ILE HB 4.50 (# 888:20 Unique 3.03, 3.03 A)
&rst
ixpk= 888, nxpk= 20, iat= 768, 770, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 170 LYS HE+ 180 GLU HG+ 6.00 (# 889:20 Unique 2.33, 5.18 A)
&rst
ixpk= 889, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1202,1203,
igr2=1382,1383,
&end
#
# 0 AMB 20-2:890 0 AMB 20-1:890 6.00 (# 890:20 Double Ambig)
&rst
ixpk= 890, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1=1202,1203, 314, 315, 314, 315,
igr2=1382,1383, 881, 882, 881, 882,
&end
#
# 143 GLU HA 143 GLU HG- 3.50 (# 891:20 Unique 2.26, 3.20 A)
&rst
ixpk= 891, nxpk= 20, iat= 753, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 758, 759,
&end
#
# 0 AMB 20-2:892 0 AMB 20-1:892 3.50 (# 892:20 Double Ambig)
&rst
ixpk= 892, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1392,1393,1160,
igr2=1165,1166,1165,1166,
&end
#
# 180 GLU HA 180 GLU HG+ 3.50 (# 893:20 Unique 2.32, 3.28 A)
&rst
ixpk= 893, nxpk= 20, iat=1377, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1382,1383,
&end
#
# 180 GLU HA 180 GLU HG- 3.50 (# 894:20 Unique 2.32, 3.28 A)
&rst
ixpk= 894, nxpk= 20, iat=1377, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1382,1383,
&end
#
# 151 GLU HA 151 GLU HG- 3.50 (# 895:20 Unique 2.41, 3.29 A)
&rst
ixpk= 895, nxpk= 20, iat= 876, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 881, 882,
&end
#
# 123 ALA HA 122 GLU HG- 6.00 (# 896:20 Unique 3.32, 5.25 A)
&rst
ixpk= 896, nxpk= 20, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 415, 416,
&end
#
# 126 LYS HE+ 122 GLU HG- 4.50 (# 897:20 Unique 2.21, 5.09 A)
&rst
ixpk= 897, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 475, 476,
igr2= 415, 416,
&end
#
# 0 AMB 20-2:898 122 GLU HG- 4.50 (# 898:20 Single Ambig)
&rst
ixpk= 898, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 345, 335,
igr2= 415, 416,
&end
#
# 122 GLU HA 122 GLU HG- 3.20 (# 899:20 Unique 2.28, 3.03 A)
&rst
ixpk= 899, nxpk= 20, iat= 410, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 415, 416,
&end
#
# 139 GLU HA 139 GLU HG+ 3.20 (# 900:20 Unique 2.59, 3.37 A)
&rst
ixpk= 900, nxpk= 20, iat= 680, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 685, 686,
&end
#
# 0 AMB 20-2:901 0 AMB 20-1:901 4.50 (# 901:20 Double Ambig)
&rst
ixpk= 901, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 647, 648, 647, 648, 742, 743,
igr2= 685, 686, 758, 759,
&end
#
# 139 GLU HA 139 GLU HG- 3.20 (# 902:20 Unique 2.59, 3.37 A)
&rst
ixpk= 902, nxpk= 20, iat= 680, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 685, 686,
&end
#
# 122 GLU HA 122 GLU HG+ 3.50 (# 903:20 Unique 2.28, 3.03 A)
&rst
ixpk= 903, nxpk= 20, iat= 410, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 415, 416,
&end
#
# 151 GLU HA 151 GLU HG+ 3.50 (# 904:20 Unique 2.41, 3.29 A)
&rst
ixpk= 904, nxpk= 20, iat= 876, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 881, 882,
&end
#
# 150 LEU HA 151 GLU HG+ 6.00 (# 905:20 Unique 3.55, 4.90 A)
&rst
ixpk= 905, nxpk= 20, iat= 857, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 881, 882,
&end
#
# 0 AMB 20-2:906 0 AMB 20-1:906 6.00 (# 906:20 Double Ambig)
&rst
ixpk= 906, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 647, 648, 647, 648,
igr2= 685, 686, 685, 686,
&end
#
# 187 GLU HA 0 AMB 20-1:907 3.50 (# 907:20 Single Ambig)
&rst
ixpk= 907, nxpk= 20, iat=1469, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1474,1475,1474,1475,
&end
#
# 182 GLU HA 182 GLU HG- 3.50 (# 908:20 Unique 2.41, 3.34 A)
&rst
ixpk= 908, nxpk= 20, iat=1399, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1404,1405,
&end
#
# 193 GLU HA 193 GLU HG- 4.50 (# 909:20 Unique 2.43, 3.35 A)
&rst
ixpk= 909, nxpk= 20, iat=1553, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1558,1559,
&end
#
# 122 GLU HA 125 ILE HB 4.50 (# 910:20 Unique 2.42, 2.86 A)
&rst
ixpk= 910, nxpk= 20, iat= 410, 447, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 123 ALA HA 147 GLU HG- 4.50 (# 911:20 Unique 2.24, 3.03 A)
&rst
ixpk= 911, nxpk= 20, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 829, 830,
&end
#
# 147 GLU HA 147 GLU HG+ 3.50 (# 912:20 Unique 2.41, 3.46 A)
&rst
ixpk= 912, nxpk= 20, iat= 824, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 829, 830,
&end
#
# 147 GLU HA 147 GLU HG- 3.50 (# 913:20 Unique 2.41, 3.46 A)
&rst
ixpk= 913, nxpk= 20, iat= 824, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 829, 830,
&end
#
# 170 LYS HA 170 LYS HB+ 4.50 (# 914:20 Unique 2.38, 2.77 A)
&rst
ixpk= 914, nxpk= 20, iat=1191, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1193,1194,
&end
#
# 170 LYS HA 170 LYS HB- 4.50 (# 915:20 Unique 2.38, 2.77 A)
&rst
ixpk= 915, nxpk= 20, iat=1191, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1193,1194,
&end
#
# 0 AMB 20-2:916 160 GLN HG- 2.80 (# 916:20 Single Ambig)
&rst
ixpk= 916, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1020, 969,
igr2=1025,1026,
&end
#
# 136 LYS HA 176 GLN HG+ 4.50 (# 917:20 Unique 2.24, 2.93 A)
&rst
ixpk= 917, nxpk= 20, iat= 636, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1306,1307,
&end
#
# 0 AMB 20-2:918 0 AMB 20-1:918 4.50 (# 918:20 Double Ambig)
&rst
ixpk= 918, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1251,1252, 647, 648, 647, 648,
igr2=1306,1307,1306,1307,1306,1307,
&end
#
# 176 GLN HA 176 GLN HG- 4.50 (# 919:20 Unique 2.39, 2.75 A)
&rst
ixpk= 919, nxpk= 20, iat=1301, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1306,1307,
&end
#
# 136 LYS HA 176 GLN HG- 3.50 (# 920:20 Unique 2.24, 2.93 A)
&rst
ixpk= 920, nxpk= 20, iat= 636, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1306,1307,
&end
#
# 165 MET HA 165 MET HB+ 3.50 (# 921:20 Unique 2.45, 2.78 A)
&rst
ixpk= 921, nxpk= 20, iat=1108, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1110,1111,
&end
#
# 162 LEU HA 165 MET HB+ 4.50 (# 922:20 Unique 2.41, 3.49 A)
&rst
ixpk= 922, nxpk= 20, iat=1048, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1110,1111,
&end
#
# 165 MET HA 165 MET HB- 3.20 (# 923:20 Unique 2.45, 2.78 A)
&rst
ixpk= 923, nxpk= 20, iat=1108, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1110,1111,
&end
#
# 162 LEU HA 165 MET HB- 4.50 (# 924:20 Unique 2.41, 3.49 A)
&rst
ixpk= 924, nxpk= 20, iat=1048, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1110,1111,
&end
#
# 0 AMB 20-2:925 176 GLN HG- 8.00 (# 925:20 Single Ambig)
&rst
ixpk= 925, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1=1251,1252, 647, 648, 647, 648,
igr2=1306,1307,
&end
#
# 0 AMB 20-2:926 136 LYS HB- 6.00 (# 926:20 Single Ambig)
&rst
ixpk= 926, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 647, 648, 647, 648,
igr2= 638, 639,
&end
#
# 136 LYS HA 136 LYS HB+ 3.50 (# 927:20 Unique 2.40, 2.73 A)
&rst
ixpk= 927, nxpk= 20, iat= 636, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 638, 639,
&end
#
# 136 LYS HA 136 LYS HB- 4.50 (# 928:20 Unique 2.40, 2.73 A)
&rst
ixpk= 928, nxpk= 20, iat= 636, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 638, 639,
&end
#
# 135 ILE HA 136 LYS HB- 6.00 (# 929:20 Unique 4.41, 4.88 A)
&rst
ixpk= 929, nxpk= 20, iat= 617, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 638, 639,
&end
#
# 176 GLN HA 176 GLN HB+ 4.50 (# 930:20 Unique 2.42, 2.77 A)
&rst
ixpk= 930, nxpk= 20, iat=1301, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1303,1304,
&end
#
# 126 LYS HA 126 LYS HB+ 3.20 (# 931:20 Unique 2.47, 2.79 A)
&rst
ixpk= 931, nxpk= 20, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 466, 467,
&end
#
# 123 ALA HA 126 LYS HB+ 3.50 (# 932:20 Unique 2.34, 3.29 A)
&rst
ixpk= 932, nxpk= 20, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 466, 467,
&end
#
# 126 LYS HE+ 126 LYS HB+ 6.00 (# 933:20 Unique 2.04, 4.02 A)
&rst
ixpk= 933, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 475, 476,
igr2= 466, 467,
&end
#
# 123 ALA HA 126 LYS HB- 3.50 (# 934:20 Unique 2.34, 3.29 A)
&rst
ixpk= 934, nxpk= 20, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 466, 467,
&end
#
# 126 LYS HA 126 LYS HB- 3.50 (# 935:20 Unique 2.47, 2.79 A)
&rst
ixpk= 935, nxpk= 20, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 466, 467,
&end
#
# 126 LYS HE+ 126 LYS HB- 6.00 (# 936:20 Unique 2.04, 4.02 A)
&rst
ixpk= 936, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 475, 476,
igr2= 466, 467,
&end
#
# 171 LYS HE+ 171 LYS HB- 4.50 (# 937:20 Unique 2.13, 3.63 A)
&rst
ixpk= 937, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1224,1225,
igr2=1215,1216,
&end
#
# 171 LYS HE+ 171 LYS HB+ 6.00 (# 938:20 Unique 2.13, 3.63 A)
&rst
ixpk= 938, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1224,1225,
igr2=1215,1216,
&end
#
# 126 LYS HA 0 AMB 20-1:939 4.50 (# 939:20 Single Ambig)
&rst
ixpk= 939, nxpk= 20, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 521, 522, 521, 522,
&end
#
# 126 LYS HA 0 AMB 20-1:940 6.00 (# 940:20 Single Ambig)
&rst
ixpk= 940, nxpk= 20, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 521, 522, 521, 522,
&end
#
# 171 LYS HA 171 LYS HB- 4.50 (# 941:20 Unique 2.30, 2.67 A)
&rst
ixpk= 941, nxpk= 20, iat=1213, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1215,1216,
&end
#
# 165 MET HA 165 MET HG+ 3.50 (# 942:20 Unique 2.31, 3.09 A)
&rst
ixpk= 942, nxpk= 20, iat=1108, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1113,1114,
&end
#
# 141 GLN HA 141 GLN HG+ 3.50 (# 943:20 Unique 2.43, 3.01 A)
&rst
ixpk= 943, nxpk= 20, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 719, 720,
&end
#
# 155 MET HA 0 AMB 20-1:944 4.50 (# 944:20 Single Ambig)
&rst
ixpk= 944, nxpk= 20, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 940, 941, 940, 941,
&end
#
# 0 AMB 20-2:945 141 GLN HG- 6.00 (# 945:20 Single Ambig)
&rst
ixpk= 945, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 731, 938,
igr2= 719, 720,
&end
#
# 141 GLN HA 141 GLN HG- 3.50 (# 946:20 Unique 2.43, 3.01 A)
&rst
ixpk= 946, nxpk= 20, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 719, 720,
&end
#
# 0 AMB 20-2:947 0 AMB 20-1:947 2.80 (# 947:20 Double Ambig)
&rst
ixpk= 947, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 753,1108, 802, 345,
igr2= 804, 805, 804, 805,1113,1114, 804, 805, 347, 348,
&end
#
# 0 AMB 20-2:948 0 AMB 20-1:948 4.50 (# 948:20 Double Ambig)
&rst
ixpk= 948, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 742, 743, 742, 743, 356, 357, 356, 357, 813, 814,
813, 814,
igr2= 733, 734, 733, 734, 347, 348, 804, 805, 804, 805,
&end
#
# 0 AMB 20-2:949 0 AMB 20-1:949 3.50 (# 949:20 Double Ambig)
&rst
ixpk= 949, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 303, 85, 86, 85, 86, 285, 286, 294, 295,
igr2= 305, 306, 64, 65, 64, 65, 276, 277,
&end
#
# 0 AMB 20-2:950 0 AMB 20-1:950 2.80 (# 950:20 Double Ambig)
&rst
ixpk= 950, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 519,1037,
igr2= 521, 522, 521, 522,1088,1089,1088,1089,
&end
#
# 0 AMB 20-2:951 0 AMB 20-1:951 2.80 (# 951:20 Double Ambig)
&rst
ixpk= 951, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 303,1086, 285, 286,
igr2= 305, 306,1088,1089,1088,1089, 347, 348, 347, 348,
&end
#
# 0 AMB 20-2:952 0 AMB 20-1:952 3.20 (# 952:20 Double Ambig)
&rst
ixpk= 952, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 345, 285, 286,
igr2= 347, 348, 347, 348,
&end
#
# 0 AMB 20-2:953 0 AMB 20-1:953 6.00 (# 953:20 Double Ambig)
&rst
ixpk= 953, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 841, 842, 841, 842,
igr2= 347, 348, 347, 348,
&end
#
# 153 PRO HA 153 PRO HB- 2.80 (# 954:20 Unique 2.27, 2.61 A)
&rst
ixpk= 954, nxpk= 20, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 915, 916,
&end
#
# 152 ILE HA 153 PRO HB- 6.00 (# 955:20 Unique 4.88, 5.37 A)
&rst
ixpk= 955, nxpk= 20, iat= 891, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 915, 916,
&end
#
# 153 PRO HD+ 153 PRO HB- 4.50 (# 956:20 Unique 2.81, 3.67 A)
&rst
ixpk= 956, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 909, 910,
igr2= 915, 916,
&end
#
# 153 PRO HD- 153 PRO HB- 3.50 (# 957:20 Unique 2.81, 3.67 A)
&rst
ixpk= 957, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 909, 910,
igr2= 915, 916,
&end
#
# 0 AMB 20-2:958 0 AMB 20-1:958 2.80 (# 958:20 Double Ambig)
&rst
ixpk= 958, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 279, 67,
igr2= 276, 277, 64, 65,
&end
#
# 0 AMB 20-2:959 0 AMB 20-1:959 3.50 (# 959:20 Double Ambig)
&rst
ixpk= 959, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 58, 59, 270, 271,1048,
igr2= 64, 65, 276, 277,1113,1114,
&end
#
# 0 AMB 20-2:960 0 AMB 20-1:960 4.50 (# 960:20 Double Ambig)
&rst
ixpk= 960, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 58, 59, 270, 271,
igr2= 64, 65, 276, 277,
&end
#
# 0 AMB 20-2:961 0 AMB 20-1:961 4.50 (# 961:20 Double Ambig)
&rst
ixpk= 961, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.25, r4=10.75,
igr1= 742, 743, 314, 315, 314, 315, 356, 357, 356, 357,
813, 814, 813, 814,
igr2= 733, 734, 305, 306, 347, 348, 804, 805, 804, 805,
&end
#
# 0 AMB 20-2:962 0 AMB 20-1:962 3.20 (# 962:20 Double Ambig)
&rst
ixpk= 962, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 279, 67,
igr2= 276, 277, 64, 65,
&end
#
# 0 AMB 20-2:963 0 AMB 20-1:963 3.20 (# 963:20 Double Ambig)
&rst
ixpk= 963, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 918, 94,
igr2= 915, 916, 64, 65,
&end
#
# 0 AMB 20-2:964 0 AMB 20-1:964 3.20 (# 964:20 Double Ambig)
&rst
ixpk= 964, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 58, 59, 270, 271, 909, 910,
igr2= 64, 65, 276, 277, 915, 916,
&end
#
# 0 AMB 20-2:965 0 AMB 20-1:965 4.50 (# 965:20 Double Ambig)
&rst
ixpk= 965, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 314, 315, 314, 315,
igr2= 305, 306, 305, 306,
&end
#
# 150 LEU HA 0 AMB 20-1:966 6.00 (# 966:20 Single Ambig)
&rst
ixpk= 966, nxpk= 20, iat= 857, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 878, 879, 878, 879,
&end
#
# 0 AMB 20-2:967 0 AMB 20-1:967 2.80 (# 967:20 Double Ambig)
&rst
ixpk= 967, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1243,1160,
igr2=1240,1241,1379,1380,
&end
#
# 172 PRO HD+ 172 PRO HB- 4.50 (# 968:20 Unique 2.67, 3.62 A)
&rst
ixpk= 968, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1234,1235,
igr2=1240,1241,
&end
#
# 151 GLU HA 0 AMB 20-1:969 2.80 (# 969:20 Single Ambig)
&rst
ixpk= 969, nxpk= 20, iat= 876, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 878, 879, 878, 879,
&end
#
# 172 PRO HA 172 PRO HB+ 3.20 (# 970:20 Unique 2.28, 2.58 A)
&rst
ixpk= 970, nxpk= 20, iat=1243, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1240,1241,
&end
#
# 172 PRO HD+ 172 PRO HB+ 6.00 (# 971:20 Unique 2.67, 3.62 A)
&rst
ixpk= 971, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1234,1235,
igr2=1240,1241,
&end
#
# 172 PRO HD- 172 PRO HB+ 6.00 (# 972:20 Unique 2.67, 3.62 A)
&rst
ixpk= 972, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1234,1235,
igr2=1240,1241,
&end
#
# 167 PRO HA 167 PRO HB- 2.80 (# 973:20 Unique 2.29, 2.66 A)
&rst
ixpk= 973, nxpk= 20, iat=1154, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1151,1152,
&end
#
# 167 PRO HD- 167 PRO HB- 4.50 (# 974:20 Unique 2.78, 3.66 A)
&rst
ixpk= 974, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1145,1146,
igr2=1151,1152,
&end
#
# 167 PRO HD+ 167 PRO HB- 3.50 (# 975:20 Unique 2.78, 3.66 A)
&rst
ixpk= 975, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1145,1146,
igr2=1151,1152,
&end
#
# 180 GLU HA 180 GLU HB- 3.20 (# 976:20 Unique 2.35, 2.71 A)
&rst
ixpk= 976, nxpk= 20, iat=1377, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1379,1380,
&end
#
# 0 AMB 20-2:977 0 AMB 20-1:977 4.50 (# 977:20 Double Ambig)
&rst
ixpk= 977, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1202,1203,1251,1252,
igr2=1379,1380,1240,1241,
&end
#
# 167 PRO HA 167 PRO HB+ 2.80 (# 978:20 Unique 2.29, 2.66 A)
&rst
ixpk= 978, nxpk= 20, iat=1154, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1151,1152,
&end
#
# 167 PRO HD- 167 PRO HB+ 3.50 (# 979:20 Unique 2.78, 3.66 A)
&rst
ixpk= 979, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1145,1146,
igr2=1151,1152,
&end
#
# 167 PRO HD+ 167 PRO HB+ 4.50 (# 980:20 Unique 2.78, 3.66 A)
&rst
ixpk= 980, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1145,1146,
igr2=1151,1152,
&end
#
# 180 GLU HA 180 GLU HB+ 3.20 (# 981:20 Unique 2.35, 2.71 A)
&rst
ixpk= 981, nxpk= 20, iat=1377, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1379,1380,
&end
#
# 121 ARG HD+ 121 ARG HB- 4.50 (# 982:20 Unique 2.25, 3.17 A)
&rst
ixpk= 982, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 394, 395,
igr2= 388, 389,
&end
#
# 0 AMB 20-2:983 0 AMB 20-1:983 2.80 (# 983:20 Double Ambig)
&rst
ixpk= 983, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 386, 335, 216, 217, 216, 217,
igr2= 388, 389, 388, 389, 194, 195, 194, 195,
&end
#
# 182 GLU HA 182 GLU HB- 2.80 (# 984:20 Unique 2.34, 2.69 A)
&rst
ixpk= 984, nxpk= 20, iat=1399, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1401,1402,
&end
#
# 121 ARG HD- 121 ARG HB+ 6.00 (# 985:20 Unique 2.25, 3.17 A)
&rst
ixpk= 985, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 394, 395,
igr2= 388, 389,
&end
#
# 0 AMB 20-2:986 0 AMB 20-1:986 2.80 (# 986:20 Double Ambig)
&rst
ixpk= 986, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 106, 192, 168,
igr2= 170, 171, 194, 195, 170, 171,
&end
#
# 0 AMB 20-2:987 0 AMB 20-1:987 2.80 (# 987:20 Double Ambig)
&rst
ixpk= 987, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 176, 177, 176, 177,
igr2= 170, 171, 170, 171,
&end
#
# 0 AMB 20-2:988 0 AMB 20-1:988 2.80 (# 988:20 Double Ambig)
&rst
ixpk= 988, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 106, 92, 192, 120, 144, 168,
igr2= 170, 171, 146, 147, 146, 147, 194, 195, 122, 123,
146, 147,
&end
#
# 0 AMB 20-2:989 0 AMB 20-1:989 2.80 (# 989:20 Double Ambig)
&rst
ixpk= 989, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 176, 177, 176, 177, 128, 129, 128, 129, 152, 153,
152, 153, 152, 153,
igr2= 170, 171, 122, 123, 122, 123, 146, 147, 146, 147,
146, 147,
&end
#
# 169 VAL HA 169 VAL HB 4.50 (# 990:20 Unique 3.03, 3.04 A)
&rst
ixpk= 990, nxpk= 20, iat=1175,1177, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 163 ILE HA 169 VAL HB 4.50 (# 991:20 Unique 2.29, 2.53 A)
&rst
ixpk= 991, nxpk= 20, iat=1067,1177, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 127 THR HA 130 ARG HB+ 4.50 (# 992:20 Unique 2.44, 3.36 A)
&rst
ixpk= 992, nxpk= 20, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 543, 544,
&end
#
# 130 ARG HA 130 ARG HB- 3.50 (# 993:20 Unique 2.38, 2.77 A)
&rst
ixpk= 993, nxpk= 20, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 543, 544,
&end
#
# 144 ILE HA 0 AMB 20-1:994 8.00 (# 994:20 Single Ambig)
&rst
ixpk= 994, nxpk= 20, iat= 768, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr2= 755, 756, 755, 756,
&end
#
# 143 GLU HA 0 AMB 20-1:995 2.80 (# 995:20 Single Ambig)
&rst
ixpk= 995, nxpk= 20, iat= 753, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 755, 756, 755, 756,
&end
#
# 184 GLU HA 184 GLU HB- 2.80 (# 996:20 Unique 2.38, 2.69 A)
&rst
ixpk= 996, nxpk= 20, iat=1433, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1435,1436,
&end
#
# 0 AMB 20-2:997 0 AMB 20-1:997 2.80 (# 997:20 Double Ambig)
&rst
ixpk= 997, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1433,1495,
igr2=1435,1436,1521,1522,
&end
#
# 0 AMB 20-2:998 0 AMB 20-1:998 6.00 (# 998:20 Double Ambig)
&rst
ixpk= 998, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1=1450,1451,1486,1487,1450,1451,
igr2=1471,1472,1471,1472,1435,1436,
&end
#
# 193 GLU HA 0 AMB 20-1:999 2.80 (# 999:20 Single Ambig)
&rst
ixpk= 999, nxpk= 20, iat=1553, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1555,1556,1555,1556,
&end
#
# 113 PRO HD+ 112 ARG HB- 4.50 (# 1000:20 Unique 2.15, 3.73 A)
&rst
ixpk= 1000, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 270, 271,
igr2= 249, 250,
&end
#
# 144 ILE HA 147 GLU HB- 4.50 (# 1001:20 Unique 2.68, 3.64 A)
&rst
ixpk= 1001, nxpk= 20, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 826, 827,
&end
#
# 147 GLU HA 147 GLU HB- 2.80 (# 1002:20 Unique 2.37, 2.73 A)
&rst
ixpk= 1002, nxpk= 20, iat= 824, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 826, 827,
&end
#
# 0 AMB 20-2:1003 0 AMB 20-1:1003 2.80 (# 1003:20 Double Ambig)
&rst
ixpk= 1003, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1519, 425,
igr2=1521,1522, 826, 827,
&end
#
# 144 ILE HA 147 GLU HB+ 4.50 (# 1004:20 Unique 2.68, 3.64 A)
&rst
ixpk= 1004, nxpk= 20, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 826, 827,
&end
#
# 112 ARG HA 112 ARG HB+ 3.20 (# 1005:20 Unique 2.43, 2.69 A)
&rst
ixpk= 1005, nxpk= 20, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 249, 250,
&end
#
# 113 PRO HD- 112 ARG HB+ 4.50 (# 1006:20 Unique 2.15, 3.73 A)
&rst
ixpk= 1006, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 270, 271,
igr2= 249, 250,
&end
#
# 113 PRO HD- 112 ARG HB- 4.50 (# 1007:20 Unique 2.15, 3.73 A)
&rst
ixpk= 1007, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 270, 271,
igr2= 249, 250,
&end
#
# 0 AMB 20-2:1008 0 AMB 20-1:1008 6.00 (# 1008:20 Double Ambig)
&rst
ixpk= 1008, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 519, 425,
igr2= 527, 528, 527, 528, 472, 473, 472, 473,
&end
#
# 163 ILE HA 163 ILE HG1+ 4.50 (# 1009:20 Unique 2.29, 2.61 A)
&rst
ixpk= 1009, nxpk= 20, iat=1067, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1075,1076,
&end
#
# 152 ILE QG2 158 PHE HB- 4.50 (# 1010:20 Unique 2.33, 3.10 A)
&rst
ixpk= 1010, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 895, 896, 897,
igr2= 985, 986,
&end
#
# 152 ILE QG2 152 ILE HB 2.80 (# 1011:20 Unique 2.43, 2.67 A)
&rst
ixpk= 1011, nxpk= 20, iat= -1, 893, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 895, 896, 897,
&end
#
# 152 ILE QD1 152 ILE HB 3.50 (# 1012:20 Unique 2.50, 3.23 A)
&rst
ixpk= 1012, nxpk= 20, iat= -1, 893, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 902, 903, 904,
&end
#
# 125 ILE QD1 166 TYR HB+ 6.00 (# 1013:20 Unique 2.48, 4.57 A)
&rst
ixpk= 1013, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 456, 457, 458,
igr2=1127,1128,
&end
#
# 152 ILE QD1 144 ILE HB 4.50 (# 1014:20 Unique 2.41, 3.66 A)
&rst
ixpk= 1014, nxpk= 20, iat= -1, 770, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 902, 903, 904,
&end
#
# 152 ILE QD1 145 GLU HG+ 4.50 (# 1015:20 Unique 3.27, 4.57 A)
&rst
ixpk= 1015, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 902, 903, 904,
igr2= 792, 793,
&end
#
# 152 ILE QD1 145 GLU HG- 4.50 (# 1016:20 Unique 3.27, 4.57 A)
&rst
ixpk= 1016, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 902, 903, 904,
igr2= 792, 793,
&end
#
# 120 LEU MDX 145 GLU HG- 6.00 (# 1017:20 Unique 3.35, 5.60 A)
&rst
ixpk= 1017, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 374, 375, 376, 378, 379, 380,
igr2= 792, 793,
&end
#
# 135 ILE QD1 143 GLU HG+ 6.00 (# 1018:20 Unique 2.75, 4.63 A)
&rst
ixpk= 1018, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 628, 629, 630,
igr2= 758, 759,
&end
#
# 135 ILE QD1 139 GLU HG+ 4.50 (# 1019:20 Unique 2.35, 5.30 A)
&rst
ixpk= 1019, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 628, 629, 630,
igr2= 685, 686,
&end
#
# 135 ILE QD1 139 GLU HG- 4.50 (# 1020:20 Unique 2.35, 5.30 A)
&rst
ixpk= 1020, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 628, 629, 630,
igr2= 685, 686,
&end
#
# 125 ILE QD1 125 ILE HB 4.50 (# 1021:20 Unique 2.40, 3.69 A)
&rst
ixpk= 1021, nxpk= 20, iat= -1, 447, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 456, 457, 458,
&end
#
# 152 ILE QG2 0 AMB 20-1:1022 6.00 (# 1022:20 Single Ambig)
&rst
ixpk= 1022, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 895, 896, 897,
igr2= 943, 944, 943, 944,
&end
#
# 152 ILE QG2 141 GLN HG+ 6.00 (# 1023:20 Unique 3.15, 6.10 A)
&rst
ixpk= 1023, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 895, 896, 897,
igr2= 719, 720,
&end
#
# 152 ILE QD1 141 GLN HG+ 4.50 (# 1024:20 Unique 2.31, 3.82 A)
&rst
ixpk= 1024, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 902, 903, 904,
igr2= 719, 720,
&end
#
# 152 ILE QG2 0 AMB 20-1:1025 6.00 (# 1025:20 Single Ambig)
&rst
ixpk= 1025, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 895, 896, 897,
igr2= 940, 941, 940, 941,
&end
#
# 152 ILE QG2 141 GLN HG- 6.00 (# 1026:20 Unique 3.15, 6.10 A)
&rst
ixpk= 1026, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 895, 896, 897,
igr2= 719, 720,
&end
#
# 152 ILE QD1 141 GLN HG- 4.50 (# 1027:20 Unique 2.31, 3.82 A)
&rst
ixpk= 1027, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 902, 903, 904,
igr2= 719, 720,
&end
#
# 120 LEU MDX 119 LYS HB- 6.00 (# 1028:20 Unique 3.11, 6.82 A)
&rst
ixpk= 1028, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 374, 375, 376, 378, 379, 380,
igr2= 347, 348,
&end
#
# 135 ILE QD1 0 AMB 20-1:1029 6.00 (# 1029:20 Single Ambig)
&rst
ixpk= 1029, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 628, 629, 630,
igr2= 755, 756, 755, 756,
&end
#
# 183 ILE QG2 183 ILE HB 2.80 (# 1030:20 Unique 2.40, 2.66 A)
&rst
ixpk= 1030, nxpk= 20, iat= -1,1416, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1418,1419,1420,
&end
#
# 0 AMB 20-2:1031 183 ILE HB 3.20 (# 1031:20 Single Ambig)
&rst
ixpk= 1031, nxpk= 20, iat= -1,1416, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1=1425,1426,1427, 449, 450, 451,
&end
#
# 0 AMB 20-2:1032 0 AMB 20-1:1032 3.50 (# 1032:20 Double Ambig)
&rst
ixpk= 1032, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.22, r4= 8.72,
igr1=1179,1180,1181,1183,1184,1185,1418,1419,1420,1055,
1056,1057,1059,1060,1061,1055,1056,1057,1059,1060,
1061,
igr2=1127,1128,1127,1128,1127,1128,1127,1128,
&end
#
# 0 AMB 20-2:1033 166 TYR HB- 4.50 (# 1033:20 Single Ambig)
&rst
ixpk= 1033, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1425,1426,1427,1053,
igr2=1127,1128,
&end
#
# 0 AMB 20-2:1034 166 TYR HB- 3.50 (# 1034:20 Single Ambig)
&rst
ixpk= 1034, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1=1179,1180,1181,1183,1184,1185,1418,1419,1420,1055,
1056,1057,1059,1060,1061,1055,1056,1057,1059,1060,
1061,
igr2=1127,1128,
&end
#
# 0 AMB 20-2:1035 0 AMB 20-1:1035 4.50 (# 1035:20 Double Ambig)
&rst
ixpk= 1035, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1425,1426,1427,1053,1365,1366,1367,1369,1370,1371,
igr2=1127,1128,1127,1128,1127,1128,
&end
#
# 99 ILE QG2 99 ILE HB 3.20 (# 1036:20 Unique 2.39, 2.65 A)
&rst
ixpk= 1036, nxpk= 20, iat= -1, 42, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1= 44, 45, 46,
&end
#
# 99 ILE QD1 99 ILE HB 3.50 (# 1037:20 Unique 2.44, 3.53 A)
&rst
ixpk= 1037, nxpk= 20, iat= -1, 42, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 51, 52, 53,
&end
#
# 163 ILE QG2 163 ILE HB 2.80 (# 1038:20 Unique 2.44, 2.67 A)
&rst
ixpk= 1038, nxpk= 20, iat= -1,1069, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1071,1072,1073,
&end
#
# 0 AMB 20-2:1039 144 ILE HB 2.80 (# 1039:20 Single Ambig)
&rst
ixpk= 1039, nxpk= 20, iat= -1, 770, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 772, 773, 774, 779, 780, 781,
&end
#
# 144 ILE QG2 145 GLU HG+ 6.00 (# 1040:20 Unique 2.94, 4.27 A)
&rst
ixpk= 1040, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 772, 773, 774,
igr2= 792, 793,
&end
#
# 144 ILE QG2 145 GLU HG- 6.00 (# 1041:20 Unique 2.94, 4.27 A)
&rst
ixpk= 1041, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 772, 773, 774,
igr2= 792, 793,
&end
#
# 179 LEU MDY 168 GLU HG- 4.50 (# 1042:20 Unique 2.34, 5.74 A)
&rst
ixpk= 1042, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1365,1366,1367,1369,1370,1371,
igr2=1165,1166,
&end
#
# 0 AMB 20-2:1043 168 GLU HG- 4.50 (# 1043:20 Single Ambig)
&rst
ixpk= 1043, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1179,1180,1181,1183,1184,1185,1418,1419,1420,
igr2=1165,1166,
&end
#
# 0 AMB 20-2:1044 0 AMB 20-1:1044 4.50 (# 1044:20 Double Ambig)
&rst
ixpk= 1044, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1365,1366,1367,1369,1370,1371,1179,1180,1181,1183,
1184,1185,
igr2=1165,1166,1165,1166,
&end
#
# 0 AMB 20-2:1045 0 AMB 20-1:1045 4.50 (# 1045:20 Double Ambig)
&rst
ixpk= 1045, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1343,1344,1345,1365,1366,1367,1369,1370,1371,
igr2=1382,1383,1382,1383,
&end
#
# 0 AMB 20-2:1046 180 GLU HG- 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=1343,1344,1345,1365,1366,1367,1369,1370,1371,
igr2=1382,1383,
&end
#
# 0 AMB 20-2:1047 125 ILE HB 3.50 (# 1047:20 Single Ambig)
&rst
ixpk= 1047, nxpk= 20, iat= -1, 447, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 453, 454,1055,1056,1057,1059,1060,1061,
&end
#
# 125 ILE QG2 125 ILE HB 2.80 (# 1048:20 Unique 2.40, 2.67 A)
&rst
ixpk= 1048, nxpk= 20, iat= -1, 447, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 449, 450, 451,
&end
#
# 178 ILE QG2 170 LYS HB+ 4.50 (# 1049:20 Unique 2.21, 3.60 A)
&rst
ixpk= 1049, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1343,1344,1345,
igr2=1193,1194,
&end
#
# 163 ILE QD1 160 GLN HG- 6.00 (# 1050:20 Unique 3.73, 6.00 A)
&rst
ixpk= 1050, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1078,1079,1080,
igr2=1025,1026,
&end
#
# 163 ILE QD1 171 LYS HB+ 6.00 (# 1051:20 Unique 2.29, 4.32 A)
&rst
ixpk= 1051, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1078,1079,1080,
igr2=1215,1216,
&end
#
# 150 LEU MDY 119 LYS HB- 4.50 (# 1052:20 Unique 2.34, 5.15 A)
&rst
ixpk= 1052, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 864, 865, 866, 868, 869, 870,
igr2= 347, 348,
&end
#
# 150 LEU MDY 0 AMB 20-1:1053 4.50 (# 1053:20 Single Ambig)
&rst
ixpk= 1053, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 864, 865, 866, 868, 869, 870,
igr2= 305, 306, 347, 348,
&end
#
# 150 LEU MDY 0 AMB 20-1:1054 3.50 (# 1054:20 Single Ambig)
&rst
ixpk= 1054, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 864, 865, 866, 868, 869, 870,
igr2= 305, 306, 347, 348,
&end
#
# 0 AMB 20-2:1055 0 AMB 20-1:1055 4.50 (# 1055:20 Double Ambig)
&rst
ixpk= 1055, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1343,1344,1345,1365,1366,1367,1369,1370,1371,1365,
1366,1367,1369,1370,1371,
igr2=1379,1380,1240,1241,
&end
#
# 178 ILE QG2 172 PRO HB+ 6.00 (# 1056:20 Unique 3.26, 4.99 A)
&rst
ixpk= 1056, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1343,1344,1345,
igr2=1240,1241,
&end
#
# 162 LEU MDX 159 MET HG+ 6.00 (# 1057:20 Unique 2.99, 6.87 A)
&rst
ixpk= 1057, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1055,1056,1057,1059,1060,1061,
igr2=1008,1009,
&end
#
# 163 ILE QG2 167 PRO HB- 6.00 (# 1058:20 Unique 4.67, 6.36 A)
&rst
ixpk= 1058, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1071,1072,1073,
igr2=1151,1152,
&end
#
# 0 AMB 20-2:1059 0 AMB 20-1:1059 6.00 (# 1059:20 Double Ambig)
&rst
ixpk= 1059, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1=1343,1344,1345,1365,1366,1367,1369,1370,1371,
igr2=1379,1380,1379,1380,
&end
#
# 0 AMB 20-2:1060 0 AMB 20-1:1060 6.00 (# 1060:20 Double Ambig)
&rst
ixpk= 1060, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.61, r4=14.11,
igr1=1055,1056,1057,1059,1060,1061,1055,1056,1057,1059,
1060,1061,1418,1419,1420, 453, 454,
igr2= 388, 389, 388, 389,1401,1402, 388, 389,
&end
#
# 135 ILE QG2 131 HIS HB- 6.00 (# 1061:20 Unique 3.31, 5.46 A)
&rst
ixpk= 1061, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 621, 622, 623,
igr2= 567, 568,
&end
#
# 128 LEU MDX 131 HIS HB+ 6.00 (# 1062:20 Unique 4.05, 7.42 A)
&rst
ixpk= 1062, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 507, 508, 509, 511, 512, 513,
igr2= 567, 568,
&end
#
# 163 ILE QG2 169 VAL HB 6.00 (# 1063:20 Unique 3.81, 5.01 A)
&rst
ixpk= 1063, nxpk= 20, iat= -1,1177, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1071,1072,1073,
&end
#
# 0 AMB 20-2:1064 169 VAL HB 3.20 (# 1064:20 Single Ambig)
&rst
ixpk= 1064, nxpk= 20, iat= -1,1177, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=1179,1180,1181,1183,1184,1185,1055,1056,1057,1059,
1060,1061,1055,1056,1057,1059,1060,1061,
&end
#
# 140 LEU MDX 0 AMB 20-1:1065 4.50 (# 1065:20 Single Ambig)
&rst
ixpk= 1065, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 702, 703, 704, 706, 707, 708,
igr2= 755, 756, 755, 756,
&end
#
# 0 AMB 20-2:1066 0 AMB 20-1:1066 4.50 (# 1066:20 Double Ambig)
&rst
ixpk= 1066, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.39, r4= 8.89,
igr1= 700, 779, 780, 781, 772, 773, 774,
igr2= 755, 756, 755, 756, 755, 756,
&end
#
# 0 AMB 20-2:1067 163 ILE HG1- 3.20 (# 1067:20 Single Ambig)
&rst
ixpk= 1067, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=1078,1079,1080,1055,1056,1057,1059,1060,1061,
igr2=1075,1076,
&end
#
# 169 VAL MGX 163 ILE HG1- 4.50 (# 1068:20 Unique 2.40, 4.47 A)
&rst
ixpk= 1068, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1179,1180,1181,1183,1184,1185,
igr2=1075,1076,
&end
#
# 0 AMB 20-2:1069 0 AMB 20-1:1069 3.50 (# 1069:20 Double Ambig)
&rst
ixpk= 1069, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1078,1079,1080,1055,1056,1057,1059,1060,1061,
igr2=1075,1076,1075,1076,
&end
#
# 169 VAL MGX 163 ILE HG1+ 4.50 (# 1070:20 Unique 2.40, 4.47 A)
&rst
ixpk= 1070, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1179,1180,1181,1183,1184,1185,
igr2=1075,1076,
&end
#
# 0 AMB 20-2:1071 0 AMB 20-1:1071 4.50 (# 1071:20 Double Ambig)
&rst
ixpk= 1071, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 977, 973, 974, 975,
igr2= 926, 927, 926, 927,
&end
#
# 0 AMB 20-2:1072 154 ASN HB- 6.00 (# 1072:20 Single Ambig)
&rst
ixpk= 1072, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 977, 973, 974, 975,
igr2= 926, 927,
&end
#
# 133 ALA MB 132 ASN HB- 6.00 (# 1073:20 Unique 4.07, 5.87 A)
&rst
ixpk= 1073, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 599, 600, 601,
igr2= 585, 586,
&end
#
# 133 ALA MB 132 ASN HB+ 6.00 (# 1074:20 Unique 4.07, 5.87 A)
&rst
ixpk= 1074, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 599, 600, 601,
igr2= 585, 586,
&end
#
# 0 AMB 20-2:1075 0 AMB 20-1:1075 4.50 (# 1075:20 Double Ambig)
&rst
ixpk= 1075, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 770, 878, 879, 878, 879,
igr2= 792, 793, 792, 793, 792, 793,
&end
#
# 152 ILE HG1- 145 GLU HG+ 4.50 (# 1076:20 Unique 2.50, 3.45 A)
&rst
ixpk= 1076, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 899, 900,
igr2= 792, 793,
&end
#
# 0 AMB 20-2:1077 0 AMB 20-1:1077 6.00 (# 1077:20 Double Ambig)
&rst
ixpk= 1077, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 893, 859, 860, 372,
igr2= 792, 793, 792, 793, 792, 793,
&end
#
# 0 AMB 20-2:1078 145 GLU HG- 6.00 (# 1078:20 Single Ambig)
&rst
ixpk= 1078, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 893, 859, 860, 372,
igr2= 792, 793,
&end
#
# 0 AMB 20-2:1079 145 GLU HG- 4.50 (# 1079:20 Single Ambig)
&rst
ixpk= 1079, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 770, 878, 879, 878, 879,
igr2= 792, 793,
&end
#
# 152 ILE HG1- 145 GLU HG- 4.50 (# 1080:20 Unique 2.50, 3.45 A)
&rst
ixpk= 1080, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 899, 900,
igr2= 792, 793,
&end
#
# 127 THR MG2 143 GLU HG+ 4.50 (# 1081:20 Unique 2.55, 4.25 A)
&rst
ixpk= 1081, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 490, 491, 492,
igr2= 758, 759,
&end
#
# 0 AMB 20-2:1082 0 AMB 20-1:1082 6.00 (# 1082:20 Double Ambig)
&rst
ixpk= 1082, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1005,1006,1075,1076,
igr2=1025,1026,1025,1026,
&end
#
# 156 THR MG2 160 GLN HG+ 3.50 (# 1083:20 Unique 2.57, 5.01 A)
&rst
ixpk= 1083, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 959, 960, 961,
igr2=1025,1026,
&end
#
# 159 MET HB- 159 MET HG+ 4.50 (# 1084:20 Unique 2.41, 2.67 A)
&rst
ixpk= 1084, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1005,1006,
igr2=1008,1009,
&end
#
# 0 AMB 20-2:1085 131 HIS HB- 4.50 (# 1085:20 Single Ambig)
&rst
ixpk= 1085, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 619, 599, 600, 601,
igr2= 567, 568,
&end
#
# 0 AMB 20-2:1086 0 AMB 20-1:1086 6.00 (# 1086:20 Double Ambig)
&rst
ixpk= 1086, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 619, 599, 600, 601,
igr2= 567, 568, 567, 568,
&end
#
# 153 PRO HG+ 154 ASN HB+ 6.00 (# 1087:20 Unique 3.88, 5.89 A)
&rst
ixpk= 1087, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 912, 913,
igr2= 926, 927,
&end
#
# 0 AMB 20-2:1088 0 AMB 20-1:1088 6.00 (# 1088:20 Double Ambig)
&rst
ixpk= 1088, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 915, 916, 912, 913,
igr2= 926, 927, 926, 927,
&end
#
# 0 AMB 20-2:1089 0 AMB 20-1:1089 4.50 (# 1089:20 Double Ambig)
&rst
ixpk= 1089, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1165,1166,1177,
igr2=1127,1128,1127,1128,
&end
#
# 183 ILE HG1- 183 ILE HB 2.80 (# 1090:20 Unique 2.41, 2.76 A)
&rst
ixpk= 1090, nxpk= 20, iat= -1,1416, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1422,1423,
&end
#
# 183 ILE HG1+ 183 ILE HB 3.50 (# 1091:20 Unique 2.41, 2.76 A)
&rst
ixpk= 1091, nxpk= 20, iat= -1,1416, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1422,1423,
&end
#
# 99 ILE HG1+ 99 ILE HB 4.50 (# 1092:20 Unique 2.32, 2.62 A)
&rst
ixpk= 1092, nxpk= 20, iat= -1, 42, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 48, 49,
&end
#
# 99 ILE HG1- 99 ILE HB 3.50 (# 1093:20 Unique 2.32, 2.62 A)
&rst
ixpk= 1093, nxpk= 20, iat= -1, 42, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 48, 49,
&end
#
# 163 ILE HG1+ 163 ILE HB 4.50 (# 1094:20 Unique 2.45, 2.80 A)
&rst
ixpk= 1094, nxpk= 20, iat= -1,1069, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1075,1076,
&end
#
# 0 AMB 20-2:1095 168 GLU HG- 2.80 (# 1095:20 Single Ambig)
&rst
ixpk= 1095, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1162,1163,1379,1380,
igr2=1165,1166,
&end
#
# 0 AMB 20-2:1096 0 AMB 20-1:1096 4.50 (# 1096:20 Double Ambig)
&rst
ixpk= 1096, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 490, 491, 492,1360,1361,
igr2= 758, 759,1165,1166,
&end
#
# 0 AMB 20-2:1097 0 AMB 20-1:1097 4.50 (# 1097:20 Double Ambig)
&rst
ixpk= 1097, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1199,1200,1196,1197,
igr2=1382,1383,1382,1383,
&end
#
# 178 ILE HG1+ 180 GLU HG+ 6.00 (# 1098:20 Unique 2.56, 5.57 A)
&rst
ixpk= 1098, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1347,1348,
igr2=1382,1383,
&end
#
# 0 AMB 20-2:1099 180 GLU HG- 4.50 (# 1099:20 Single Ambig)
&rst
ixpk= 1099, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1199,1200,1196,1197,
igr2=1382,1383,
&end
#
# 0 AMB 20-2:1100 122 GLU HG- 4.50 (# 1100:20 Single Ambig)
&rst
ixpk= 1100, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 472, 473, 472, 473, 350, 351,
igr2= 415, 416,
&end
#
# 0 AMB 20-2:1101 0 AMB 20-1:1101 4.50 (# 1101:20 Double Ambig)
&rst
ixpk= 1101, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 641, 642, 625, 626,
igr2= 685, 686, 685, 686,
&end
#
# 0 AMB 20-2:1102 122 GLU HG- 6.00 (# 1102:20 Single Ambig)
&rst
ixpk= 1102, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1= 469, 470, 337, 338, 339,
igr2= 415, 416,
&end
#
# 136 LYS HG- 139 GLU HG+ 4.50 (# 1103:20 Unique 2.41, 5.26 A)
&rst
ixpk= 1103, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 641, 642,
igr2= 685, 686,
&end
#
# 136 LYS HB- 139 GLU HG- 4.50 (# 1104:20 Unique 2.34, 4.29 A)
&rst
ixpk= 1104, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 638, 639,
igr2= 685, 686,
&end
#
# 0 AMB 20-2:1105 139 GLU HG- 4.50 (# 1105:20 Single Ambig)
&rst
ixpk= 1105, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 644, 645, 644, 645, 739, 740, 739, 740,
igr2= 685, 686,
&end
#
# 0 AMB 20-2:1106 139 GLU HG- 4.50 (# 1106:20 Single Ambig)
&rst
ixpk= 1106, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 641, 642, 625, 626,
igr2= 685, 686,
&end
#
# 0 AMB 20-2:1107 0 AMB 20-1:1107 4.50 (# 1107:20 Double Ambig)
&rst
ixpk= 1107, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64,
igr1=1539, 472, 473, 472, 473, 350, 351,
igr2=1524,1525,1524,1525, 415, 416, 415, 416, 415, 416,
&end
#
# 0 AMB 20-2:1108 125 ILE HB 3.50 (# 1108:20 Single Ambig)
&rst
ixpk= 1108, nxpk= 20, iat= -1, 447, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 453, 454, 469, 470,
&end
#
# 123 ALA MB 147 GLU HG+ 3.50 (# 1109:20 Unique 2.42, 3.76 A)
&rst
ixpk= 1109, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 427, 428, 429,
igr2= 829, 830,
&end
#
# 127 THR HG1 147 GLU HG+ 6.00 (# 1110:20 Unique 2.77, 4.88 A)
&rst
ixpk= 1110, nxpk= 20, iat= 494, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 829, 830,
&end
#
# 123 ALA MB 147 GLU HG- 3.50 (# 1111:20 Unique 2.42, 3.76 A)
&rst
ixpk= 1111, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 427, 428, 429,
igr2= 829, 830,
&end
#
# 0 AMB 20-2:1112 0 AMB 20-1:1112 3.20 (# 1112:20 Double Ambig)
&rst
ixpk= 1112, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=1196,1197,1199,1200,
igr2=1193,1194,1193,1194,
&end
#
# 163 ILE HB 160 GLN HG- 6.00 (# 1113:20 Unique 4.53, 5.31 A)
&rst
ixpk= 1113, nxpk= 20, iat=1069, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1025,1026,
&end
#
# 156 THR MG2 160 GLN HG- 4.50 (# 1114:20 Unique 2.57, 5.01 A)
&rst
ixpk= 1114, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 959, 960, 961,
igr2=1025,1026,
&end
#
# 0 AMB 20-2:1115 0 AMB 20-1:1115 3.20 (# 1115:20 Double Ambig)
&rst
ixpk= 1115, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=1303,1304, 641, 642,
igr2=1306,1307,1306,1307,
&end
#
# 134 ALA MB 176 GLN HG+ 6.00 (# 1116:20 Unique 2.30, 5.98 A)
&rst
ixpk= 1116, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 609, 610, 611,
igr2=1306,1307,
&end
#
# 0 AMB 20-2:1117 0 AMB 20-1:1117 3.50 (# 1117:20 Double Ambig)
&rst
ixpk= 1117, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 641, 642, 625, 626,
igr2= 638, 639, 638, 639,
&end
#
# 0 AMB 20-2:1118 136 LYS HB- 3.20 (# 1118:20 Single Ambig)
&rst
ixpk= 1118, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 641, 642, 625, 626,
igr2= 638, 639,
&end
#
# 0 AMB 20-2:1119 0 AMB 20-1:1119 2.80 (# 1119:20 Double Ambig)
&rst
ixpk= 1119, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 469, 470, 609, 610, 611,
igr2= 466, 467,1303,1304,
&end
#
# 126 LYS HG- 126 LYS HB- 3.50 (# 1120:20 Unique 2.34, 2.73 A)
&rst
ixpk= 1120, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 469, 470,
igr2= 466, 467,
&end
#
# 0 AMB 20-2:1121 171 LYS HB- 3.50 (# 1121:20 Single Ambig)
&rst
ixpk= 1121, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1218,1219,1218,1219,
igr2=1215,1216,
&end
#
# 0 AMB 20-2:1122 0 AMB 20-1:1122 3.20 (# 1122:20 Double Ambig)
&rst
ixpk= 1122, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1110,1111,1094,1095,1094,1095,
igr2=1113,1114,1113,1114,1113,1114,
&end
#
# 152 ILE HB 141 GLN HG- 6.00 (# 1123:20 Unique 3.05, 4.15 A)
&rst
ixpk= 1123, nxpk= 20, iat= 893, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 719, 720,
&end
#
# 0 AMB 20-2:1124 0 AMB 20-1:1124 2.80 (# 1124:20 Double Ambig)
&rst
ixpk= 1124, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 807, 808, 807, 808, 862, 391, 392, 807, 808,
igr2= 804, 805, 804, 805, 347, 348,1113,1114, 733, 734,
&end
#
# 0 AMB 20-2:1125 0 AMB 20-1:1125 6.00 (# 1125:20 Double Ambig)
&rst
ixpk= 1125, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.87, r4=12.37,
igr1= 859, 860, 469, 470,1360,1361,
igr2= 305, 306, 521, 522, 521, 522, 347, 348, 521, 522,
&end
#
# 0 AMB 20-2:1126 0 AMB 20-1:1126 2.80 (# 1126:20 Double Ambig)
&rst
ixpk= 1126, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1091,1092, 350, 351, 308, 309,
igr2=1088,1089,1088,1089, 347, 348, 305, 306,
&end
#
# 0 AMB 20-2:1127 0 AMB 20-1:1127 6.00 (# 1127:20 Double Ambig)
&rst
ixpk= 1127, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.24, r4=12.74,
igr1=1091,1092, 391, 392, 337, 338, 339, 48, 49,
igr2=1113,1114,1113,1114, 276, 277, 64, 65,
&end
#
# 172 PRO HG- 172 PRO HB- 2.80 (# 1128:20 Unique 2.39, 2.63 A)
&rst
ixpk= 1128, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1237,1238,
igr2=1240,1241,
&end
#
# 121 ARG HG+ 121 ARG HB- 3.50 (# 1129:20 Unique 2.26, 2.75 A)
&rst
ixpk= 1129, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 391, 392,
igr2= 388, 389,
&end
#
# 163 ILE HG1- 169 VAL HB 4.50 (# 1130:20 Unique 2.37, 3.04 A)
&rst
ixpk= 1130, nxpk= 20, iat= -1,1177, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1075,1076,
&end
#
# 163 ILE HG1+ 169 VAL HB 4.50 (# 1131:20 Unique 2.37, 3.04 A)
&rst
ixpk= 1131, nxpk= 20, iat= -1,1177, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1075,1076,
&end
#
# 0 AMB 20-2:1132 0 AMB 20-1:1132 4.50 (# 1132:20 Double Ambig)
&rst
ixpk= 1132, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
igr1= 810, 811, 770, 739, 740, 739, 740, 739, 740,
igr2= 755, 756, 755, 756, 755, 756, 755, 756, 755, 756,
&end
#
# 0 AMB 20-2:1133 0 AMB 20-1:1133 2.80 (# 1133:20 Double Ambig)
&rst
ixpk= 1133, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 490, 491, 492, 494,
igr2= 755, 756, 755, 756,
&end
#
# 123 ALA MB 147 GLU HB- 3.20 (# 1134:20 Unique 2.15, 3.96 A)
&rst
ixpk= 1134, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 427, 428, 429,
igr2= 826, 827,
&end
#
# 127 THR HG1 147 GLU HB+ 8.00 (# 1135:20 Unique 3.52, 4.43 A)
&rst
ixpk= 1135, nxpk= 20, iat= 494, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 826, 827,
&end
#
# 0 AMB 20-2:1136 152 ILE HB 4.50 (# 1136:20 Single Ambig)
&rst
ixpk= 1136, nxpk= 20, iat= -1, 893, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 719, 720, 716, 717,
&end
#
# 0 AMB 20-2:1137 152 ILE HB 4.50 (# 1137:20 Single Ambig)
&rst
ixpk= 1137, nxpk= 20, iat= -1, 893, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 719, 720, 716, 717,
&end
#
# 165 MET HG+ 165 MET HB- 4.50 (# 1138:20 Unique 2.32, 2.67 A)
&rst
ixpk= 1138, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1113,1114,
igr2=1110,1111,
&end
#
# 169 VAL HB 163 ILE HG1- 6.00 (# 1139:20 Unique 2.37, 3.04 A)
&rst
ixpk= 1139, nxpk= 20, iat=1177, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1075,1076,
&end
#
# 176 GLN HG+ 176 GLN HB- 4.50 (# 1140:20 Unique 2.30, 2.76 A)
&rst
ixpk= 1140, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1306,1307,
igr2=1303,1304,
&end
#
# 169 VAL HB 163 ILE HG1+ 6.00 (# 1141:20 Unique 2.37, 3.04 A)
&rst
ixpk= 1141, nxpk= 20, iat=1177, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1075,1076,
&end
#
# 153 PRO HG+ 154 ASN HB- 6.00 (# 1142:20 Unique 3.88, 5.89 A)
&rst
ixpk= 1142, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 912, 913,
igr2= 926, 927,
&end
#
# 0 AMB 20-2:1143 154 ASN HB- 6.00 (# 1143:20 Single Ambig)
&rst
ixpk= 1143, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 915, 916, 912, 913,
igr2= 926, 927,
&end
#
# 145 GLU HB+ 145 GLU HG+ 3.50 (# 1144:20 Unique 2.44, 2.78 A)
&rst
ixpk= 1144, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 789, 790,
igr2= 792, 793,
&end
#
# 0 AMB 20-2:1145 0 AMB 20-1:1145 4.50 (# 1145:20 Double Ambig)
&rst
ixpk= 1145, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.00, r4= 9.50,
igr1= 733, 734, 733, 734, 804, 805, 804, 805,
igr2= 758, 759, 758, 759, 758, 759, 758, 759,
&end
#
# 155 MET ME 0 AMB 20-1:1146 3.50 (# 1146:20 Single Ambig)
&rst
ixpk= 1146, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 947, 948, 949,
igr2= 943, 944, 943, 944,
&end
#
# 0 AMB 20-2:1147 0 AMB 20-1:1147 2.80 (# 1147:20 Double Ambig)
&rst
ixpk= 1147, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 940, 941, 940, 941, 940, 941,
igr2= 943, 944, 943, 944, 943, 944,
&end
#
# 0 AMB 20-2:1148 0 AMB 20-1:1148 3.20 (# 1148:20 Double Ambig)
&rst
ixpk= 1148, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 789, 790, 881, 882,
igr2= 792, 793, 792, 793,
&end
#
# 159 MET ME 0 AMB 20-1:1149 2.80 (# 1149:20 Single Ambig)
&rst
ixpk= 1149, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1012,1013,1014,
igr2= 943, 944, 943, 944,
&end
#
# 0 AMB 20-2:1150 0 AMB 20-1:1150 2.80 (# 1150:20 Double Ambig)
&rst
ixpk= 1150, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 758, 759, 758, 759,
igr2= 755, 756, 755, 756,
&end
#
# 0 AMB 20-2:1151 0 AMB 20-1:1151 2.80 (# 1151:20 Double Ambig)
&rst
ixpk= 1151, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 410, 671, 672, 671, 672, 671, 672,
igr2= 412, 413, 682, 683, 682, 683, 682, 683,
&end
#
# 135 ILE HA 0 AMB 20-1:1152 6.00 (# 1152:20 Single Ambig)
&rst
ixpk= 1152, nxpk= 20, iat= 617, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 682, 683, 682, 683,
&end
#
# 122 GLU HN 122 GLU HB- 2.80 (# 1153:20 Unique 2.01, 2.66 A)
&rst
ixpk= 1153, nxpk= 20, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 412, 413,
&end
#
# 191 GLU HA 191 GLU HB- 2.80 (# 1154:20 Unique 2.37, 2.73 A)
&rst
ixpk= 1154, nxpk= 20, iat=1519, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1521,1522,
&end
#
# 0 AMB 20-2:1155 0 AMB 20-1:1155 6.00 (# 1155:20 Double Ambig)
&rst
ixpk= 1155, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 294, 295, 285, 286,
igr2= 249, 250, 249, 250,
&end
#
# 112 ARG HA 112 ARG HB- 3.50 (# 1156:20 Unique 2.43, 2.69 A)
&rst
ixpk= 1156, nxpk= 20, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 249, 250,
&end
#
# 0 AMB 20-2:1157 0 AMB 20-1:1157 4.50 (# 1157:20 Double Ambig)
&rst
ixpk= 1157, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 255, 256, 255, 256,1278,1279,1278,1279,
igr2= 249, 250,1272,1273,1272,1273,
&end
#
# 174 ARG HN 174 ARG HB+ 3.50 (# 1158:20 Unique 2.30, 2.91 A)
&rst
ixpk= 1158, nxpk= 20, iat=1268, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1272,1273,
&end
#
# 0 AMB 20-2:1159 0 AMB 20-1:1159 2.80 (# 1159:20 Double Ambig)
&rst
ixpk= 1159, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1270, 671, 672, 671, 672, 671, 672, 294, 295,
igr2=1272,1273, 644, 645, 644, 645, 644, 645, 249, 250,
&end
#
# 113 PRO HD- 112 ARG HB- 6.00 (# 1160:20 Unique 2.15, 3.73 A)
&rst
ixpk= 1160, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 270, 271,
igr2= 249, 250,
&end
#
# 0 AMB 20-2:1161 0 AMB 20-1:1161 2.80 (# 1161:20 Double Ambig)
&rst
ixpk= 1161, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 475, 476, 475, 476, 530, 531,
igr2= 472, 473, 472, 473, 527, 528, 527, 528,
&end
#
# 0 AMB 20-2:1162 0 AMB 20-1:1162 4.50 (# 1162:20 Double Ambig)
&rst
ixpk= 1162, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 519, 425,
igr2= 527, 528, 527, 528, 472, 473, 472, 473,
&end
#
# 0 AMB 20-2:1163 0 AMB 20-1:1163 3.50 (# 1163:20 Double Ambig)
&rst
ixpk= 1163, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 464,1067,
igr2= 472, 473, 472, 473,1075,1076, 527, 528, 527, 528,
&end
#
# 0 AMB 20-2:1164 0 AMB 20-1:1164 4.50 (# 1164:20 Double Ambig)
&rst
ixpk= 1164, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.44, r4=10.94,
igr1=1365,1366,1367,1369,1370,1371, 449, 450, 451,1425,
1426,1427,1053,
igr2= 527, 528, 527, 528, 527, 528, 527, 528,1075,1076,
472, 473,
&end
#
# 122 GLU HN 122 GLU HB+ 2.80 (# 1165:20 Unique 2.01, 2.66 A)
&rst
ixpk= 1165, nxpk= 20, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 412, 413,
&end
#
# 140 LEU HN 0 AMB 20-1:1166 2.80 (# 1166:20 Single Ambig)
&rst
ixpk= 1166, nxpk= 20, iat= 693, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 682, 683, 682, 683,
&end
#
# 139 GLU HN 0 AMB 20-1:1167 2.80 (# 1167:20 Single Ambig)
&rst
ixpk= 1167, nxpk= 20, iat= 678, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 682, 683, 682, 683,
&end
#
# 139 GLU HA 0 AMB 20-1:1168 2.80 (# 1168:20 Single Ambig)
&rst
ixpk= 1168, nxpk= 20, iat= 680, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 682, 683, 682, 683,
&end
#
# 135 ILE HG1- 0 AMB 20-1:1169 3.20 (# 1169:20 Single Ambig)
&rst
ixpk= 1169, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 625, 626,
igr2= 682, 683, 682, 683,
&end
#
# 135 ILE QD1 0 AMB 20-1:1170 3.50 (# 1170:20 Single Ambig)
&rst
ixpk= 1170, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 628, 629, 630,
igr2= 682, 683, 682, 683,
&end
#
# 141 GLN HN 0 AMB 20-1:1171 6.00 (# 1171:20 Single Ambig)
&rst
ixpk= 1171, nxpk= 20, iat= 712, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 682, 683, 682, 683,
&end
#
# 0 AMB 20-2:1172 0 AMB 20-1:1172 4.50 (# 1172:20 Double Ambig)
&rst
ixpk= 1172, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr1= 621, 622, 623, 453, 454, 453, 454,
igr2= 682, 683, 682, 683, 412, 413, 412, 413,
&end
#
# 122 GLU HN 122 GLU HB- 2.80 (# 1173:20 Unique 2.01, 2.66 A)
&rst
ixpk= 1173, nxpk= 20, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 412, 413,
&end
#
# 0 AMB 20-2:1174 0 AMB 20-1:1174 2.80 (# 1174:20 Double Ambig)
&rst
ixpk= 1174, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 423, 462, 751, 343,
igr2= 412, 413, 776, 777,
&end
#
# 119 LYS HA 122 GLU HB- 3.20 (# 1175:20 Unique 2.26, 3.32 A)
&rst
ixpk= 1175, nxpk= 20, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 412, 413,
&end
#
# 0 AMB 20-2:1176 0 AMB 20-1:1176 2.80 (# 1176:20 Double Ambig)
&rst
ixpk= 1176, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 435, 410, 695,
igr2= 776, 777, 412, 413,
&end
#
# 144 ILE HA 144 ILE HG1- 8.00 (# 1177:20 Unique 2.38, 2.64 A)
&rst
ixpk= 1177, nxpk= 20, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 776, 777,
&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= 7.14, r4= 7.64,
igr1= 685, 686, 685, 686,
igr2= 644, 645, 644, 645,
&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= 5.09, r4= 5.59,
igr1= 647, 648, 647, 648, 647, 648,
igr2= 644, 645, 644, 645, 644, 645,
&end
#
# 0 AMB 20-2:1180 0 AMB 20-1:1180 4.50 (# 1180:20 Double Ambig)
&rst
ixpk= 1180, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1=1078,1079,1080, 864, 865, 866, 868, 869, 870,
igr2=1221,1222,1221,1222, 311, 312, 311, 312,
&end
#
# 0 AMB 20-2:1181 0 AMB 20-1:1181 6.00 (# 1181:20 Double Ambig)
&rst
ixpk= 1181, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
igr1= 462, 423,
igr2= 472, 473, 472, 473, 472, 473, 527, 528, 527, 528,
&end
#
# 0 AMB 20-2:1182 0 AMB 20-1:1182 2.80 (# 1182:20 Double Ambig)
&rst
ixpk= 1182, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 625, 626, 625, 626, 641, 642, 641, 642, 469, 470,
469, 470, 807, 808,
igr2= 682, 683, 682, 683, 682, 683, 412, 413, 412, 413,
789, 790,
&end
#
# 0 AMB 20-2:1183 0 AMB 20-1:1183 2.80 (# 1183:20 Double Ambig)
&rst
ixpk= 1183, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 766, 785, 634,
igr2= 776, 777, 789, 790, 682, 683, 682, 683,
&end
#
# 145 GLU HG- 145 GLU HB- 3.50 (# 1184:20 Unique 2.44, 2.78 A)
&rst
ixpk= 1184, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 792, 793,
igr2= 789, 790,
&end
#
# 0 AMB 20-2:1185 144 ILE HG1- 2.80 (# 1185:20 Single Ambig)
&rst
ixpk= 1185, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1= 779, 780, 781, 772, 773, 774, 700,
igr2= 776, 777,
&end
#
# 145 GLU HN 145 GLU HB+ 3.50 (# 1186:20 Unique 2.36, 3.01 A)
&rst
ixpk= 1186, nxpk= 20, iat= 785, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 789, 790,
&end
#
# 151 GLU HA 145 GLU HB+ 4.50 (# 1187:20 Unique 3.21, 4.01 A)
&rst
ixpk= 1187, nxpk= 20, iat= 876, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 789, 790,
&end
#
# 145 GLU HG- 145 GLU HB+ 2.80 (# 1188:20 Unique 2.44, 2.78 A)
&rst
ixpk= 1188, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 792, 793,
igr2= 789, 790,
&end
#
# 0 AMB 20-2:1189 0 AMB 20-1:1189 2.80 (# 1189:20 Double Ambig)
&rst
ixpk= 1189, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 787, 731,
igr2= 789, 790, 789, 790,
&end
#
# 0 AMB 20-2:1190 0 AMB 20-1:1190 3.50 (# 1190:20 Double Ambig)
&rst
ixpk= 1190, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
igr1= 345, 802, 753, 285, 286,
igr2= 353, 354, 353, 354, 810, 811, 353, 354, 739, 740,
&end
#
# 0 AMB 20-2:1191 0 AMB 20-1:1191 2.80 (# 1191:20 Double Ambig)
&rst
ixpk= 1191, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
igr1= 356, 357, 356, 357, 356, 357, 742, 743, 742, 743,
813, 814, 647, 648, 647, 648, 647, 648, 813, 814,
813, 814,
igr2= 353, 354, 353, 354, 353, 354, 739, 740, 739, 740,
810, 811, 644, 645, 644, 645, 644, 645, 739, 740,
&end
#
# 0 AMB 20-2:1192 0 AMB 20-1:1192 2.80 (# 1192:20 Double Ambig)
&rst
ixpk= 1192, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
igr1= 314, 315, 314, 315, 314, 315, 742, 743, 742, 743,
813, 814,1097,1098,1097,1098, 813, 814, 813, 814,
igr2= 311, 312, 311, 312, 311, 312, 739, 740, 739, 740,
810, 811,1094,1095,1094,1095, 739, 740,
&end
#
# 0 AMB 20-2:1193 0 AMB 20-1:1193 6.00 (# 1193:20 Double Ambig)
&rst
ixpk= 1193, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 800, 751, 848,
igr2= 810, 811, 810, 811, 810, 811,
&end
#
# 0 AMB 20-2:1194 0 AMB 20-1:1194 4.50 (# 1194:20 Double Ambig)
&rst
ixpk= 1194, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 802, 753,1108,
igr2= 810, 811, 810, 811,1094,1095,1094,1095,
&end
#
# 0 AMB 20-2:1195 0 AMB 20-1:1195 4.50 (# 1195:20 Double Ambig)
&rst
ixpk= 1195, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1086, 303,1039,1040,
igr2=1094,1095,1094,1095, 311, 312, 311, 312,1094,1095,
&end
#
# 0 AMB 20-2:1196 121 ARG HG- 6.00 (# 1196:20 Single Ambig)
&rst
ixpk= 1196, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 991, 995,1131,1140,
igr2= 391, 392,
&end
#
# 121 ARG HD- 121 ARG HG- 6.00 (# 1197:20 Unique 2.38, 2.66 A)
&rst
ixpk= 1197, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 394, 395,
igr2= 391, 392,
&end
#
# 121 ARG HD+ 121 ARG HG- 6.00 (# 1198:20 Unique 2.38, 2.66 A)
&rst
ixpk= 1198, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 394, 395,
igr2= 391, 392,
&end
#
# 166 TYR HB- 168 GLU HB- 6.00 (# 1199:20 Unique 2.79, 5.10 A)
&rst
ixpk= 1199, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1127,1128,
igr2=1162,1163,
&end
#
# 0 AMB 20-2:1200 0 AMB 20-1:1200 3.50 (# 1200:20 Double Ambig)
&rst
ixpk= 1200, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1160,1392,1393,
igr2=1162,1163,1162,1163,
&end
#
# 168 GLU HG- 168 GLU HB+ 3.20 (# 1201:20 Unique 2.24, 2.62 A)
&rst
ixpk= 1201, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1=1165,1166,
igr2=1162,1163,
&end
#
# 179 LEU MDY 168 GLU HB+ 4.50 (# 1202:20 Unique 2.32, 4.43 A)
&rst
ixpk= 1202, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1365,1366,1367,1369,1370,1371,
igr2=1162,1163,
&end
#
# 168 GLU HN 168 GLU HB+ 3.50 (# 1203:20 Unique 2.44, 3.06 A)
&rst
ixpk= 1203, nxpk= 20, iat=1158, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1162,1163,
&end
#
# 161 SER HA 0 AMB 20-1:1204 4.50 (# 1204:20 Single Ambig)
&rst
ixpk= 1204, nxpk= 20, iat=1037, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1094,1095,1094,1095,
&end
#
# 121 ARG HN 121 ARG HG+ 4.50 (# 1205:20 Unique 2.43, 4.15 A)
&rst
ixpk= 1205, nxpk= 20, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 391, 392,
&end
#
# 0 AMB 20-2:1206 0 AMB 20-1:1206 6.00 (# 1206:20 Double Ambig)
&rst
ixpk= 1206, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 991, 995,1131,1140,
igr2= 391, 392, 391, 392,
&end
#
# 0 AMB 20-2:1207 0 AMB 20-1:1207 3.50 (# 1207:20 Double Ambig)
&rst
ixpk= 1207, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 386, 335,
igr2= 391, 392, 391, 392,
&end
#
# 121 ARG HD- 121 ARG HG+ 3.50 (# 1208:20 Unique 2.38, 2.66 A)
&rst
ixpk= 1208, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 394, 395,
igr2= 391, 392,
&end
#
# 121 ARG HD+ 121 ARG HG+ 4.50 (# 1209:20 Unique 2.38, 2.66 A)
&rst
ixpk= 1209, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 394, 395,
igr2= 391, 392,
&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= 9.42, r4= 9.92,
igr1=1055,1056,1057,1059,1060,1061,1055,1056,1057,1059,
1060,1061, 453, 454,
igr2= 391, 392, 391, 392, 391, 392,
&end
#
# 168 GLU HN 168 GLU HB- 4.50 (# 1211:20 Unique 2.44, 3.06 A)
&rst
ixpk= 1211, nxpk= 20, iat=1158, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1162,1163,
&end
#
# 162 LEU HN 160 GLN HB+ 8.00 (# 1212:20 Unique 5.12, 5.49 A)
&rst
ixpk= 1212, nxpk= 20, iat=1046, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1022,1023,
&end
#
# 0 AMB 20-2:1213 0 AMB 20-1:1213 6.00 (# 1213:20 Double Ambig)
&rst
ixpk= 1213, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=1173,1397,1412,
igr2=1162,1163,1162,1163,1162,1163,
&end
#
# 179 LEU HN 178 ILE HG1- 4.50 (# 1214:20 Unique 2.03, 2.60 A)
&rst
ixpk= 1214, nxpk= 20, iat=1356, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1347,1348,
&end
#
# 178 ILE HA 178 ILE HG1- 3.50 (# 1215:20 Unique 2.23, 2.92 A)
&rst
ixpk= 1215, nxpk= 20, iat=1339, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1347,1348,
&end
#
# 178 ILE QD1 178 ILE HG1- 2.80 (# 1216:20 Unique 2.41, 2.66 A)
&rst
ixpk= 1216, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1350,1351,1352,
igr2=1347,1348,
&end
#
# 160 GLN HN 160 GLN HB- 2.80 (# 1217:20 Unique 2.35, 2.86 A)
&rst
ixpk= 1217, nxpk= 20, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1022,1023,
&end
#
# 161 SER HN 160 GLN HB- 3.50 (# 1218:20 Unique 2.54, 3.12 A)
&rst
ixpk= 1218, nxpk= 20, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1022,1023,
&end
#
# 0 AMB 20-2:1219 160 GLN HB- 2.80 (# 1219:20 Single Ambig)
&rst
ixpk= 1219, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 969,1020,
igr2=1022,1023,
&end
#
# 160 GLN HG+ 160 GLN HB- 2.80 (# 1220:20 Unique 2.31, 2.70 A)
&rst
ixpk= 1220, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1025,1026,
igr2=1022,1023,
&end
#
# 0 AMB 20-2:1221 160 GLN HB- 6.00 (# 1221:20 Single Ambig)
&rst
ixpk= 1221, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1088,1089,1088,1089,
igr2=1022,1023,
&end
#
# 0 AMB 20-2:1222 160 GLN HB- 4.50 (# 1222:20 Single Ambig)
&rst
ixpk= 1222, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 959, 960, 961, 973, 974, 975,
igr2=1022,1023,
&end
#
# 159 MET HN 159 MET HB+ 4.50 (# 1223:20 Unique 2.40, 3.06 A)
&rst
ixpk= 1223, nxpk= 20, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1005,1006,
&end
#
# 159 MET HA 159 MET HB+ 4.50 (# 1224:20 Unique 2.45, 2.76 A)
&rst
ixpk= 1224, nxpk= 20, iat=1003, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1005,1006,
&end
#
# 159 MET HG+ 159 MET HB+ 4.50 (# 1225:20 Unique 2.41, 2.67 A)
&rst
ixpk= 1225, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1008,1009,
igr2=1005,1006,
&end
#
# 0 AMB 20-2:1226 0 AMB 20-1:1226 4.50 (# 1226:20 Double Ambig)
&rst
ixpk= 1226, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1078,1079,1080,1055,1056,1057,1059,1060,1061,
igr2=1005,1006,1005,1006,
&end
#
# 160 GLN HN 160 GLN HB+ 3.20 (# 1227:20 Unique 2.35, 2.86 A)
&rst
ixpk= 1227, nxpk= 20, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1022,1023,
&end
#
# 161 SER HN 160 GLN HB+ 3.50 (# 1228:20 Unique 2.54, 3.12 A)
&rst
ixpk= 1228, nxpk= 20, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1022,1023,
&end
#
# 0 AMB 20-2:1229 0 AMB 20-1:1229 2.80 (# 1229:20 Double Ambig)
&rst
ixpk= 1229, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 969,1020,
igr2=1022,1023,1022,1023,
&end
#
# 160 GLN HG+ 160 GLN HB+ 2.80 (# 1230:20 Unique 2.31, 2.70 A)
&rst
ixpk= 1230, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1025,1026,
igr2=1022,1023,
&end
#
# 159 MET HG+ 160 GLN HB+ 6.00 (# 1231:20 Unique 6.46, 7.55 A)
&rst
ixpk= 1231, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1008,1009,
igr2=1022,1023,
&end
#
# 0 AMB 20-2:1232 0 AMB 20-1:1232 8.00 (# 1232:20 Double Ambig)
&rst
ixpk= 1232, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.94, r4=14.44,
igr1=1162,1163,1022,1023,1012,1013,1014,
igr2=1199,1200,1005,1006,
&end
#
# 159 MET HA 159 MET HB- 6.00 (# 1233:20 Unique 2.45, 2.76 A)
&rst
ixpk= 1233, nxpk= 20, iat=1003, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1005,1006,
&end
#
# 152 ILE HN 152 ILE HG1- 4.50 (# 1234:20 Unique 2.17, 2.92 A)
&rst
ixpk= 1234, nxpk= 20, iat= 889, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 899, 900,
&end
#
# 145 GLU HG+ 152 ILE HG1- 6.00 (# 1235:20 Unique 2.50, 3.45 A)
&rst
ixpk= 1235, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 792, 793,
igr2= 899, 900,
&end
#
# 120 LEU MDY 152 ILE HG1- 4.50 (# 1236:20 Unique 2.19, 4.02 A)
&rst
ixpk= 1236, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 374, 375, 376, 378, 379, 380,
igr2= 899, 900,
&end
#
# 152 ILE QD1 152 ILE HG1- 3.20 (# 1237:20 Unique 2.33, 2.65 A)
&rst
ixpk= 1237, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 902, 903, 904,
igr2= 899, 900,
&end
#
# 152 ILE HA 152 ILE HG1- 4.50 (# 1238:20 Unique 2.34, 2.83 A)
&rst
ixpk= 1238, nxpk= 20, iat= 891, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 899, 900,
&end
#
# 0 AMB 20-2:1239 152 ILE HG1- 3.50 (# 1239:20 Single Ambig)
&rst
ixpk= 1239, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 374, 375, 376, 378, 379, 380, 895, 896, 897,
igr2= 899, 900,
&end
#
# 0 AMB 20-2:1240 160 GLN HB- 6.00 (# 1240:20 Single Ambig)
&rst
ixpk= 1240, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1037, 971,
igr2=1022,1023,
&end
#
# 0 AMB 20-2:1241 160 GLN HB- 6.00 (# 1241:20 Single Ambig)
&rst
ixpk= 1241, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1069,1050,1051,
igr2=1022,1023,
&end
#
# 0 AMB 20-2:1242 0 AMB 20-1:1242 6.00 (# 1242:20 Double Ambig)
&rst
ixpk= 1242, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1037, 971,
igr2=1022,1023,1022,1023,
&end
#
# 128 LEU HN 128 LEU HG 8.00 (# 1243:20 Unique 2.36, 2.49 A)
&rst
ixpk= 1243, nxpk= 20, iat= 498, 505, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 20-2:1244 128 LEU HG 4.50 (# 1244:20 Single Ambig)
&rst
ixpk= 1244, nxpk= 20, iat= -1, 505, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 507, 508, 509, 511, 512, 513,1055,1056,1057,1059,
1060,1061,
&end
#
# 159 MET HN 159 MET HB- 8.00 (# 1245:20 Unique 2.40, 3.06 A)
&rst
ixpk= 1245, nxpk= 20, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1005,1006,
&end
#
# 170 LYS HA 170 LYS HD+ 6.00 (# 1246:20 Unique 2.26, 3.77 A)
&rst
ixpk= 1246, nxpk= 20, iat=1191, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1199,1200,
&end
#
# 170 LYS HE+ 170 LYS HD+ 3.50 (# 1247:20 Unique 2.35, 2.72 A)
&rst
ixpk= 1247, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1202,1203,
igr2=1199,1200,
&end
#
# 0 AMB 20-2:1248 0 AMB 20-1:1248 4.50 (# 1248:20 Double Ambig)
&rst
ixpk= 1248, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1=1078,1079,1080,1055,1056,1057,1059,1060,1061,1055,
1056,1057,1059,1060,1061,1179,1180,1181,1183,1184,
1185,
igr2=1005,1006,1199,1200,
&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=10.90, r4=11.40,
igr1=1343,1344,1345,1179,1180,1181,1183,1184,1185,
igr2=1199,1200,1199,1200,
&end
#
# 170 LYS HA 170 LYS HD- 6.00 (# 1250:20 Unique 2.26, 3.77 A)
&rst
ixpk= 1250, nxpk= 20, iat=1191, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1199,1200,
&end
#
# 170 LYS HE+ 170 LYS HD- 3.50 (# 1251:20 Unique 2.35, 2.72 A)
&rst
ixpk= 1251, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1202,1203,
igr2=1199,1200,
&end
#
# 128 LEU HA 128 LEU HG 6.00 (# 1252:20 Unique 2.72, 2.84 A)
&rst
ixpk= 1252, nxpk= 20, iat= 500, 505, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 128 LEU HN 128 LEU HG 6.00 (# 1253:20 Unique 2.36, 2.49 A)
&rst
ixpk= 1253, nxpk= 20, iat= 498, 505, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 128 LEU HA 128 LEU HG 6.00 (# 1254:20 Unique 2.72, 2.84 A)
&rst
ixpk= 1254, nxpk= 20, iat= 500, 505, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 128 LEU MDY 128 LEU HG 4.50 (# 1255:20 Unique 2.40, 2.66 A)
&rst
ixpk= 1255, nxpk= 20, iat= -1, 505, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 507, 508, 509, 511, 512, 513,
&end
#
# 180 GLU HG- 170 LYS HD- 6.00 (# 1256:20 Unique 2.45, 5.12 A)
&rst
ixpk= 1256, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1382,1383,
igr2=1199,1200,
&end
#
# 135 ILE QG2 135 ILE HG1+ 4.50 (# 1257:20 Unique 2.29, 3.49 A)
&rst
ixpk= 1257, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 621, 622, 623,
igr2= 625, 626,
&end
#
# 142 LYS HN 141 GLN HB- 4.50 (# 1258:20 Unique 2.62, 3.40 A)
&rst
ixpk= 1258, nxpk= 20, iat= 729, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 716, 717,
&end
#
# 138 SER HA 141 GLN HB- 4.50 (# 1259:20 Unique 2.39, 3.21 A)
&rst
ixpk= 1259, nxpk= 20, iat= 669, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 716, 717,
&end
#
# 141 GLN HA 141 GLN HB- 3.50 (# 1260:20 Unique 2.35, 2.72 A)
&rst
ixpk= 1260, nxpk= 20, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 716, 717,
&end
#
# 152 ILE QD1 141 GLN HB- 6.00 (# 1261:20 Unique 2.46, 4.19 A)
&rst
ixpk= 1261, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 902, 903, 904,
igr2= 716, 717,
&end
#
# 141 GLN HN 141 GLN HB- 3.50 (# 1262:20 Unique 2.32, 2.52 A)
&rst
ixpk= 1262, nxpk= 20, iat= 712, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 716, 717,
&end
#
# 141 GLN HN 141 GLN HB+ 3.50 (# 1263:20 Unique 2.32, 2.52 A)
&rst
ixpk= 1263, nxpk= 20, iat= 712, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 716, 717,
&end
#
# 142 LYS HN 141 GLN HB+ 3.50 (# 1264:20 Unique 2.62, 3.40 A)
&rst
ixpk= 1264, nxpk= 20, iat= 729, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 716, 717,
&end
#
# 141 GLN HA 141 GLN HB+ 4.50 (# 1265:20 Unique 2.35, 2.72 A)
&rst
ixpk= 1265, nxpk= 20, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 716, 717,
&end
#
# 0 AMB 20-2:1266 0 AMB 20-1:1266 4.50 (# 1266:20 Double Ambig)
&rst
ixpk= 1266, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 943, 944, 943, 944,
igr2= 716, 717, 716, 717,
&end
#
# 138 SER HA 141 GLN HB+ 4.50 (# 1267:20 Unique 2.39, 3.21 A)
&rst
ixpk= 1267, nxpk= 20, iat= 669, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 716, 717,
&end
#
# 0 AMB 20-2:1268 0 AMB 20-1:1268 6.00 (# 1268:20 Double Ambig)
&rst
ixpk= 1268, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 660, 661, 731, 938,
igr2= 716, 717, 716, 717, 716, 717,
&end
#
# 144 ILE HB 141 GLN HB+ 6.00 (# 1269:20 Unique 4.53, 4.94 A)
&rst
ixpk= 1269, nxpk= 20, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 716, 717,
&end
#
# 120 LEU HB+ 153 PRO HG+ 6.00 (# 1270:20 Unique 6.09, 6.97 A)
&rst
ixpk= 1270, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 369, 370,
igr2= 912, 913,
&end
#
# 113 PRO HA 113 PRO HG+ 4.50 (# 1271:20 Unique 2.78, 3.62 A)
&rst
ixpk= 1271, nxpk= 20, iat= 279, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 273, 274,
&end
#
# 113 PRO HD+ 113 PRO HG+ 2.80 (# 1272:20 Unique 2.33, 2.61 A)
&rst
ixpk= 1272, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 270, 271,
igr2= 273, 274,
&end
#
# 0 AMB 20-2:1273 0 AMB 20-1:1273 6.00 (# 1273:20 Double Ambig)
&rst
ixpk= 1273, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 985, 986, 255, 256, 255, 256,
igr2= 912, 913, 273, 274, 273, 274,
&end
#
# 0 AMB 20-2:1274 0 AMB 20-1:1274 2.80 (# 1274:20 Double Ambig)
&rst
ixpk= 1274, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 909, 910, 270, 271,
igr2= 912, 913, 273, 274,
&end
#
# 0 AMB 20-2:1275 0 AMB 20-1:1275 2.80 (# 1275:20 Double Ambig)
&rst
ixpk= 1275, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 58, 59, 270, 271,
igr2= 61, 62, 273, 274,
&end
#
# 0 AMB 20-2:1276 0 AMB 20-1:1276 3.50 (# 1276:20 Double Ambig)
&rst
ixpk= 1276, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 279, 67,
igr2= 273, 274, 61, 62,
&end
#
# 0 AMB 20-2:1277 0 AMB 20-1:1277 2.80 (# 1277:20 Double Ambig)
&rst
ixpk= 1277, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 58, 59, 270, 271,
igr2= 61, 62, 273, 274,
&end
#
# 154 ASN HN 153 PRO HG- 6.00 (# 1278:20 Unique 2.21, 3.81 A)
&rst
ixpk= 1278, nxpk= 20, iat= 922, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 912, 913,
&end
#
# 0 AMB 20-2:1279 0 AMB 20-1:1279 4.50 (# 1279:20 Double Ambig)
&rst
ixpk= 1279, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 539, 577,
igr2= 546, 547, 546, 547,
&end
#
# 130 ARG HA 130 ARG HG+ 4.50 (# 1280:20 Unique 2.44, 3.22 A)
&rst
ixpk= 1280, nxpk= 20, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 546, 547,
&end
#
# 0 AMB 20-2:1281 0 AMB 20-1:1281 2.80 (# 1281:20 Double Ambig)
&rst
ixpk= 1281, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 549, 550, 549, 550, 567, 568,
igr2= 546, 547, 546, 547, 546, 547,
&end
#
# 127 THR HA 130 ARG HG+ 6.00 (# 1282:20 Unique 3.83, 4.60 A)
&rst
ixpk= 1282, nxpk= 20, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 546, 547,
&end
#
# 0 AMB 20-2:1283 130 ARG HG- 4.50 (# 1283:20 Single Ambig)
&rst
ixpk= 1283, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 539, 577,
igr2= 546, 547,
&end
#
# 140 LEU HN 135 ILE HG1+ 6.00 (# 1284:20 Unique 2.54, 3.34 A)
&rst
ixpk= 1284, nxpk= 20, iat= 693, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 625, 626,
&end
#
# 136 LYS HN 135 ILE HG1+ 4.50 (# 1285:20 Unique 2.35, 2.86 A)
&rst
ixpk= 1285, nxpk= 20, iat= 634, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 625, 626,
&end
#
# 135 ILE HA 135 ILE HG1+ 4.50 (# 1286:20 Unique 2.34, 2.89 A)
&rst
ixpk= 1286, nxpk= 20, iat= 617, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 625, 626,
&end
#
# 135 ILE QD1 135 ILE HG1+ 3.50 (# 1287:20 Unique 2.38, 2.66 A)
&rst
ixpk= 1287, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 628, 629, 630,
igr2= 625, 626,
&end
#
# 0 AMB 20-2:1288 179 LEU HG 3.50 (# 1288:20 Single Ambig)
&rst
ixpk= 1288, nxpk= 20, iat= -1,1363, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1365,1366,1367,1369,1370,1371,1365,1366,1367,1369,
1370,1371,1179,1180,1181,1183,1184,1185,
&end
#
# 112 ARG HA 113 PRO HG+ 4.50 (# 1289:20 Unique 4.11, 4.50 A)
&rst
ixpk= 1289, nxpk= 20, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 273, 274,
&end
#
# 154 ASN HN 153 PRO HG+ 6.00 (# 1290:20 Unique 2.21, 3.81 A)
&rst
ixpk= 1290, nxpk= 20, iat= 922, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 912, 913,
&end
#
# 153 PRO HA 153 PRO HG+ 4.50 (# 1291:20 Unique 2.83, 3.64 A)
&rst
ixpk= 1291, nxpk= 20, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 912, 913,
&end
#
# 0 AMB 20-2:1292 0 AMB 20-1:1292 6.00 (# 1292:20 Double Ambig)
&rst
ixpk= 1292, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 895, 896, 897, 374, 375, 376, 378, 379, 380,
igr2= 912, 913, 912, 913,
&end
#
# 0 AMB 20-2:1293 0 AMB 20-1:1293 6.00 (# 1293:20 Double Ambig)
&rst
ixpk= 1293, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 73, 247,
igr2= 61, 62, 273, 274,
&end
#
# 100 PRO HD- 100 PRO HG- 4.50 (# 1294:20 Unique 2.32, 2.61 A)
&rst
ixpk= 1294, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 58, 59,
igr2= 61, 62,
&end
#
# 168 GLU HN 167 PRO HG- 6.00 (# 1295:20 Unique 3.11, 4.64 A)
&rst
ixpk= 1295, nxpk= 20, iat=1158, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1148,1149,
&end
#
# 167 PRO HD- 167 PRO HG- 2.80 (# 1296:20 Unique 2.34, 2.61 A)
&rst
ixpk= 1296, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1145,1146,
igr2=1148,1149,
&end
#
# 166 TYR HA 167 PRO HG- 4.50 (# 1297:20 Unique 4.21, 4.60 A)
&rst
ixpk= 1297, nxpk= 20, iat=1125, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1148,1149,
&end
#
# 0 AMB 20-2:1298 0 AMB 20-1:1298 2.80 (# 1298:20 Double Ambig)
&rst
ixpk= 1298, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 915, 916,1151,1152,
igr2= 912, 913,1148,1149,
&end
#
# 153 PRO HA 153 PRO HG- 3.50 (# 1299:20 Unique 2.83, 3.64 A)
&rst
ixpk= 1299, nxpk= 20, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 912, 913,
&end
#
# 0 AMB 20-2:1300 153 PRO HG- 4.50 (# 1300:20 Single Ambig)
&rst
ixpk= 1300, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 891, 325,
igr2= 912, 913,
&end
#
# 153 PRO HD+ 153 PRO HG- 2.80 (# 1301:20 Unique 2.33, 2.61 A)
&rst
ixpk= 1301, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 909, 910,
igr2= 912, 913,
&end
#
# 153 PRO HD- 153 PRO HG- 3.20 (# 1302:20 Unique 2.33, 2.61 A)
&rst
ixpk= 1302, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 909, 910,
igr2= 912, 913,
&end
#
# 127 THR HA 130 ARG HG+ 6.00 (# 1303:20 Unique 3.83, 4.60 A)
&rst
ixpk= 1303, nxpk= 20, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 546, 547,
&end
#
# 107 ARG HN 0 AMB 20-1:1304 4.50 (# 1304:20 Single Ambig)
&rst
ixpk= 1304, nxpk= 20, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 173, 174, 173, 174, 149, 150, 125, 126, 125, 126,
&end
#
# 0 AMB 20-2:1305 0 AMB 20-1:1305 4.50 (# 1305:20 Double Ambig)
&rst
ixpk= 1305, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 118, 142,
igr2= 125, 126, 125, 126, 149, 150, 125, 126,
&end
#
# 0 AMB 20-2:1306 0 AMB 20-1:1306 2.80 (# 1306:20 Double Ambig)
&rst
ixpk= 1306, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
igr1= 549, 550, 549, 550, 152, 153, 152, 153, 176, 177,
176, 177, 176, 177, 128, 129, 128, 129, 128, 129,
igr2= 546, 547, 149, 150, 149, 150, 173, 174, 173, 174,
173, 174, 125, 126, 125, 126, 125, 126,
&end
#
# 0 AMB 20-2:1307 0 AMB 20-1:1307 2.80 (# 1307:20 Double Ambig)
&rst
ixpk= 1307, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 144, 120, 168, 192, 106, 92,
igr2= 149, 150, 125, 126, 125, 126, 173, 174, 173, 174,
197, 198, 197, 198, 173, 174, 173, 174, 125, 126,
149, 150, 125, 126, 197, 198, 125, 126,
&end
#
# 107 ARG HN 106 ARG HG- 6.00 (# 1308:20 Unique 2.54, 4.47 A)
&rst
ixpk= 1308, nxpk= 20, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 149, 150,
&end
#
# 0 AMB 20-2:1309 106 ARG HG- 2.80 (# 1309:20 Single Ambig)
&rst
ixpk= 1309, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 152, 153, 152, 153,
igr2= 149, 150,
&end
#
# 0 AMB 20-2:1310 183 ILE HG1- 3.20 (# 1310:20 Single Ambig)
&rst
ixpk= 1310, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1=1418,1419,1420, 453, 454,
igr2=1422,1423,
&end
#
# 167 PRO HA 167 PRO HG- 4.50 (# 1311:20 Unique 2.78, 3.49 A)
&rst
ixpk= 1311, nxpk= 20, iat=1154, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1148,1149,
&end
#
# 167 PRO HD+ 167 PRO HG- 2.80 (# 1312:20 Unique 2.34, 2.61 A)
&rst
ixpk= 1312, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1145,1146,
igr2=1148,1149,
&end
#
# 168 GLU HN 167 PRO HG+ 4.50 (# 1313:20 Unique 3.11, 4.64 A)
&rst
ixpk= 1313, nxpk= 20, iat=1158, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1148,1149,
&end
#
# 167 PRO HA 167 PRO HG+ 4.50 (# 1314:20 Unique 2.78, 3.49 A)
&rst
ixpk= 1314, nxpk= 20, iat=1154, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1148,1149,
&end
#
# 167 PRO HD- 167 PRO HG+ 3.20 (# 1315:20 Unique 2.34, 2.61 A)
&rst
ixpk= 1315, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1=1145,1146,
igr2=1148,1149,
&end
#
# 167 PRO HD+ 167 PRO HG+ 3.20 (# 1316:20 Unique 2.34, 2.61 A)
&rst
ixpk= 1316, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1=1145,1146,
igr2=1148,1149,
&end
#
# 172 PRO HA 172 PRO HG+ 6.00 (# 1317:20 Unique 2.79, 3.77 A)
&rst
ixpk= 1317, nxpk= 20, iat=1243, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1237,1238,
&end
#
# 172 PRO HD+ 172 PRO HG+ 3.50 (# 1318:20 Unique 2.36, 2.62 A)
&rst
ixpk= 1318, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1234,1235,
igr2=1237,1238,
&end
#
# 178 ILE QG2 172 PRO HG+ 3.50 (# 1319:20 Unique 2.39, 3.76 A)
&rst
ixpk= 1319, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1343,1344,1345,
igr2=1237,1238,
&end
#
# 172 PRO HD- 172 PRO HG+ 3.50 (# 1320:20 Unique 2.36, 2.62 A)
&rst
ixpk= 1320, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1234,1235,
igr2=1237,1238,
&end
#
# 178 ILE HG1+ 172 PRO HG+ 6.00 (# 1321:20 Unique 3.51, 5.34 A)
&rst
ixpk= 1321, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1347,1348,
igr2=1237,1238,
&end
#
# 112 ARG HA 0 AMB 20-1:1322 3.50 (# 1322:20 Single Ambig)
&rst
ixpk= 1322, nxpk= 20, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 252, 253, 252, 253,
&end
#
# 113 PRO HD- 112 ARG HG- 4.50 (# 1323:20 Unique 2.43, 4.47 A)
&rst
ixpk= 1323, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 270, 271,
igr2= 252, 253,
&end
#
# 112 ARG HA 0 AMB 20-1:1324 3.50 (# 1324:20 Single Ambig)
&rst
ixpk= 1324, nxpk= 20, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 252, 253, 252, 253,
&end
#
# 112 ARG HN 112 ARG HG+ 4.50 (# 1325:20 Unique 2.18, 3.56 A)
&rst
ixpk= 1325, nxpk= 20, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 252, 253,
&end
#
# 0 AMB 20-2:1326 0 AMB 20-1:1326 4.50 (# 1326:20 Double Ambig)
&rst
ixpk= 1326, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 190, 214,
igr2= 197, 198, 197, 198, 173, 174, 173, 174, 197, 198,
&end
#
# 192 LEU HN 192 LEU HG 6.00 (# 1327:20 Unique 2.26, 3.58 A)
&rst
ixpk= 1327, nxpk= 20, iat=1532,1539, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:1328 106 ARG HG- 3.50 (# 1328:20 Single Ambig)
&rst
ixpk= 1328, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 144, 120, 168,
igr2= 149, 150,
&end
#
# 0 AMB 20-2:1329 0 AMB 20-1:1329 4.50 (# 1329:20 Double Ambig)
&rst
ixpk= 1329, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 142,1247, 118,
igr2= 149, 150,1237,1238,
&end
#
# 172 PRO HD+ 172 PRO HG- 3.50 (# 1330:20 Unique 2.36, 2.62 A)
&rst
ixpk= 1330, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1234,1235,
igr2=1237,1238,
&end
#
# 174 ARG HN 174 ARG HG+ 4.50 (# 1331:20 Unique 2.00, 3.28 A)
&rst
ixpk= 1331, nxpk= 20, iat=1268, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1275,1276,
&end
#
# 99 ILE QD1 99 ILE HG1- 4.50 (# 1332:20 Unique 2.38, 2.66 A)
&rst
ixpk= 1332, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 51, 52, 53,
igr2= 48, 49,
&end
#
# 183 ILE HN 183 ILE HG1- 4.50 (# 1333:20 Unique 2.16, 3.44 A)
&rst
ixpk= 1333, nxpk= 20, iat=1412, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1422,1423,
&end
#
# 183 ILE HA 183 ILE HG1- 4.50 (# 1334:20 Unique 2.32, 3.03 A)
&rst
ixpk= 1334, nxpk= 20, iat=1414, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1422,1423,
&end
#
# 0 AMB 20-2:1335 183 ILE HG1- 2.80 (# 1335:20 Single Ambig)
&rst
ixpk= 1335, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1425,1426,1427, 449, 450, 451,
igr2=1422,1423,
&end
#
# 182 GLU HA 183 ILE HG1- 8.00 (# 1336:20 Unique 3.63, 5.10 A)
&rst
ixpk= 1336, nxpk= 20, iat=1399, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1422,1423,
&end
#
# 112 ARG HN 0 AMB 20-1:1337 4.50 (# 1337:20 Single Ambig)
&rst
ixpk= 1337, nxpk= 20, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 252, 253, 252, 253,
&end
#
# 120 LEU MDX 120 LEU HG 3.50 (# 1338:20 Unique 2.40, 2.66 A)
&rst
ixpk= 1338, nxpk= 20, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 374, 375, 376, 378, 379, 380,
&end
#
# 120 LEU HA 120 LEU HG 4.50 (# 1339:20 Unique 2.40, 2.95 A)
&rst
ixpk= 1339, nxpk= 20, iat= 367, 372, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:1340 192 LEU HG 2.80 (# 1340:20 Single Ambig)
&rst
ixpk= 1340, nxpk= 20, iat= -1,1539, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1541,1542,1543,1545,1546,1547,1541,1542,1543,1545,
1546,1547,
&end
#
# 158 PHE HE 120 LEU HG 8.00 (# 1341:20 Unique 2.52, 5.56 A)
&rst
ixpk= 1341, nxpk= 20, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 991, 995,
&end
#
# 174 ARG HA 174 ARG HG+ 4.50 (# 1342:20 Unique 2.46, 3.17 A)
&rst
ixpk= 1342, nxpk= 20, iat=1270, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1275,1276,
&end
#
# 0 AMB 20-2:1343 0 AMB 20-1:1343 2.80 (# 1343:20 Double Ambig)
&rst
ixpk= 1343, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1278,1279,1278,1279,
igr2=1275,1276,1275,1276,
&end
#
# 175 GLY HA+ 174 ARG HG+ 6.00 (# 1344:20 Unique 3.88, 5.99 A)
&rst
ixpk= 1344, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1294,1295,
igr2=1275,1276,
&end
#
# 174 ARG HA 174 ARG HG- 6.00 (# 1345:20 Unique 2.46, 3.17 A)
&rst
ixpk= 1345, nxpk= 20, iat=1270, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1275,1276,
&end
#
# 0 AMB 20-2:1346 150 LEU HG 2.80 (# 1346:20 Single Ambig)
&rst
ixpk= 1346, nxpk= 20, iat= -1, 862, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 864, 865, 866, 868, 869, 870, 864, 865, 866, 868,
869, 870,
&end
#
# 136 LYS HA 136 LYS HG- 6.00 (# 1347:20 Unique 2.43, 2.97 A)
&rst
ixpk= 1347, nxpk= 20, iat= 636, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 641, 642,
&end
#
# 129 LYS HE+ 129 LYS HG+ 4.50 (# 1348:20 Unique 2.40, 3.21 A)
&rst
ixpk= 1348, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 530, 531,
igr2= 524, 525,
&end
#
# 129 LYS HN 129 LYS HG+ 4.50 (# 1349:20 Unique 2.51, 3.35 A)
&rst
ixpk= 1349, nxpk= 20, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 524, 525,
&end
#
# 126 LYS HA 129 LYS HG+ 6.00 (# 1350:20 Unique 3.42, 4.50 A)
&rst
ixpk= 1350, nxpk= 20, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 524, 525,
&end
#
# 150 LEU HN 150 LEU HG 8.00 (# 1351:20 Unique 2.51, 2.90 A)
&rst
ixpk= 1351, nxpk= 20, iat= 855, 862, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 20-2:1352 136 LYS HG- 4.50 (# 1352:20 Single Ambig)
&rst
ixpk= 1352, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 634, 656,
igr2= 641, 642,
&end
#
# 0 AMB 20-2:1353 136 LYS HG- 6.00 (# 1353:20 Single Ambig)
&rst
ixpk= 1353, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 660, 661, 680,
igr2= 641, 642,
&end
#
# 139 GLU HG+ 136 LYS HG- 6.00 (# 1354:20 Unique 2.41, 5.26 A)
&rst
ixpk= 1354, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 685, 686,
igr2= 641, 642,
&end
#
# 0 AMB 20-2:1355 136 LYS HG- 3.50 (# 1355:20 Single Ambig)
&rst
ixpk= 1355, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 638, 639, 682, 683, 682, 683,
igr2= 641, 642,
&end
#
# 0 AMB 20-2:1356 0 AMB 20-1:1356 4.50 (# 1356:20 Double Ambig)
&rst
ixpk= 1356, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 519, 660, 661,
igr2= 524, 525, 641, 642,
&end
#
# 136 LYS HA 136 LYS HG+ 6.00 (# 1357:20 Unique 2.43, 2.97 A)
&rst
ixpk= 1357, nxpk= 20, iat= 636, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 641, 642,
&end
#
# 0 AMB 20-2:1358 0 AMB 20-1:1358 4.50 (# 1358:20 Double Ambig)
&rst
ixpk= 1358, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 647, 648, 647, 648,
igr2= 641, 642, 641, 642,
&end
#
# 0 AMB 20-2:1359 0 AMB 20-1:1359 3.50 (# 1359:20 Double Ambig)
&rst
ixpk= 1359, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 638, 639, 682, 683, 682, 683,
igr2= 641, 642, 641, 642, 641, 642,
&end
#
# 0 AMB 20-2:1360 0 AMB 20-1:1360 4.50 (# 1360:20 Double Ambig)
&rst
ixpk= 1360, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 636, 857,
igr2= 641, 642, 862,
&end
#
# 176 GLN HG+ 136 LYS HG+ 6.00 (# 1361:20 Unique 2.40, 4.19 A)
&rst
ixpk= 1361, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1306,1307,
igr2= 641, 642,
&end
#
# 129 LYS HN 129 LYS HG- 6.00 (# 1362:20 Unique 2.51, 3.35 A)
&rst
ixpk= 1362, nxpk= 20, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 524, 525,
&end
#
# 129 LYS HA 129 LYS HG- 3.20 (# 1363:20 Unique 2.34, 2.87 A)
&rst
ixpk= 1363, nxpk= 20, iat= 519, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 524, 525,
&end
#
# 129 LYS HE- 129 LYS HG- 4.50 (# 1364:20 Unique 2.40, 3.21 A)
&rst
ixpk= 1364, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 530, 531,
igr2= 524, 525,
&end
#
# 179 LEU MDX 129 LYS HG- 6.00 (# 1365:20 Unique 2.42, 5.17 A)
&rst
ixpk= 1365, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1365,1366,1367,1369,1370,1371,
igr2= 524, 525,
&end
#
# 0 AMB 20-2:1366 116 LYS HG- 3.20 (# 1366:20 Single Ambig)
&rst
ixpk= 1366, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 314, 315, 314, 315,
igr2= 308, 309,
&end
#
# 0 AMB 20-2:1367 116 LYS HG- 4.50 (# 1367:20 Single Ambig)
&rst
ixpk= 1367, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 864, 865, 866, 868, 869, 870, 864, 865, 866, 868,
869, 870,
igr2= 308, 309,
&end
#
# 176 GLN HG+ 136 LYS HG+ 6.00 (# 1368:20 Unique 2.40, 4.19 A)
&rst
ixpk= 1368, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1306,1307,
igr2= 641, 642,
&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= 6.36, r4= 6.86,
igr1= 634, 656,
igr2= 641, 642, 641, 642,
&end
#
# 120 LEU MDY 116 LYS HG+ 6.00 (# 1370:20 Unique 2.56, 6.27 A)
&rst
ixpk= 1370, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 374, 375, 376, 378, 379, 380,
igr2= 308, 309,
&end
#
# 0 AMB 20-2:1371 0 AMB 20-1:1371 3.50 (# 1371:20 Double Ambig)
&rst
ixpk= 1371, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 356, 357, 356, 357, 314, 315, 314, 315,
igr2= 350, 351, 350, 351, 308, 309,
&end
#
# 0 AMB 20-2:1372 0 AMB 20-1:1372 4.50 (# 1372:20 Double Ambig)
&rst
ixpk= 1372, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 343, 290,
igr2= 350, 351, 350, 351,
&end
#
# 0 AMB 20-2:1373 0 AMB 20-1:1373 4.50 (# 1373:20 Double Ambig)
&rst
ixpk= 1373, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 345, 285, 286,
igr2= 350, 351, 350, 351,
&end
#
# 0 AMB 20-2:1374 0 AMB 20-1:1374 6.00 (# 1374:20 Double Ambig)
&rst
ixpk= 1374, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 912, 913, 412, 413,
igr2= 308, 309, 350, 351,
&end
#
# 0 AMB 20-2:1375 119 LYS HG- 4.50 (# 1375:20 Single Ambig)
&rst
ixpk= 1375, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 343, 290,
igr2= 350, 351,
&end
#
# 0 AMB 20-2:1376 0 AMB 20-1:1376 6.00 (# 1376:20 Double Ambig)
&rst
ixpk= 1376, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 323, 365,
igr2= 308, 309, 350, 351,
&end
#
# 0 AMB 20-2:1377 0 AMB 20-1:1377 3.20 (# 1377:20 Double Ambig)
&rst
ixpk= 1377, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr1= 356, 357, 356, 357,1097,1098, 314, 315, 314, 315,
igr2= 350, 351,1091,1092, 308, 309, 308, 309,
&end
#
# 150 LEU MDY 0 AMB 20-1:1378 3.50 (# 1378:20 Single Ambig)
&rst
ixpk= 1378, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 864, 865, 866, 868, 869, 870,
igr2= 308, 309, 350, 351,
&end
#
# 0 AMB 20-2:1379 0 AMB 20-1:1379 2.80 (# 1379:20 Double Ambig)
&rst
ixpk= 1379, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1086, 303, 285, 286,
igr2=1091,1092, 308, 309, 350, 351,
&end
#
# 0 AMB 20-2:1380 0 AMB 20-1:1380 3.50 (# 1380:20 Double Ambig)
&rst
ixpk= 1380, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1086, 410, 671, 672, 671, 672,
igr2=1091,1092, 469, 470, 736, 737,
&end
#
# 126 LYS HA 126 LYS HG+ 3.50 (# 1381:20 Unique 2.36, 2.92 A)
&rst
ixpk= 1381, nxpk= 20, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 469, 470,
&end
#
# 164 LYS HN 164 LYS HG- 4.50 (# 1382:20 Unique 2.43, 3.86 A)
&rst
ixpk= 1382, nxpk= 20, iat=1084, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1091,1092,
&end
#
# 142 LYS HN 142 LYS HG+ 4.50 (# 1383:20 Unique 2.46, 4.36 A)
&rst
ixpk= 1383, nxpk= 20, iat= 729, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 736, 737,
&end
#
# 0 AMB 20-2:1384 0 AMB 20-1:1384 6.00 (# 1384:20 Double Ambig)
&rst
ixpk= 1384, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.00, r4=12.50,
igr1= 716, 717, 789, 790, 682, 683, 682, 683,
igr2= 736, 737, 736, 737, 736, 737, 736, 737,
&end
#
# 142 LYS HA 142 LYS HG+ 4.50 (# 1385:20 Unique 2.38, 2.91 A)
&rst
ixpk= 1385, nxpk= 20, iat= 731, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 736, 737,
&end
#
# 0 AMB 20-2:1386 0 AMB 20-1:1386 4.50 (# 1386:20 Double Ambig)
&rst
ixpk= 1386, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 742, 743, 813, 814,
igr2= 736, 737, 736, 737,
&end
#
# 164 LYS HN 164 LYS HG+ 4.50 (# 1387:20 Unique 2.43, 3.86 A)
&rst
ixpk= 1387, nxpk= 20, iat=1084, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1091,1092,
&end
#
# 142 LYS HN 142 LYS HG- 6.00 (# 1388:20 Unique 2.46, 4.36 A)
&rst
ixpk= 1388, nxpk= 20, iat= 729, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 736, 737,
&end
#
# 0 AMB 20-2:1389 0 AMB 20-1:1389 6.00 (# 1389:20 Double Ambig)
&rst
ixpk= 1389, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.33, r4=13.83,
igr1= 829, 830, 415, 416,1113,1114, 716, 717, 829, 830,
719, 720,
igr2= 469, 470, 469, 470,1091,1092, 736, 737, 807, 808,
&end
#
# 0 AMB 20-2:1390 0 AMB 20-1:1390 4.50 (# 1390:20 Double Ambig)
&rst
ixpk= 1390, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 462, 800, 751,
igr2= 469, 470, 807, 808, 736, 737,
&end
#
# 0 AMB 20-2:1391 146 LYS HG- 3.20 (# 1391:20 Single Ambig)
&rst
ixpk= 1391, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 802, 824,
igr2= 807, 808,
&end
#
# 161 SER HA 164 LYS HG- 8.00 (# 1392:20 Unique 3.73, 4.80 A)
&rst
ixpk= 1392, nxpk= 20, iat=1037, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1091,1092,
&end
#
# 0 AMB 20-2:1393 142 LYS HG- 6.00 (# 1393:20 Single Ambig)
&rst
ixpk= 1393, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 716, 717, 719, 720, 682, 683,
igr2= 736, 737,
&end
#
# 0 AMB 20-2:1394 0 AMB 20-1:1394 3.50 (# 1394:20 Double Ambig)
&rst
ixpk= 1394, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 802, 824, 753,
igr2= 807, 808, 807, 808, 736, 737, 807, 808,
&end
#
# 0 AMB 20-2:1395 0 AMB 20-1:1395 3.20 (# 1395:20 Double Ambig)
&rst
ixpk= 1395, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1=1202,1203, 742, 743, 813, 814, 813, 814,
igr2=1196,1197, 736, 737, 807, 808,
&end
#
# 178 ILE QG2 170 LYS HG+ 6.00 (# 1396:20 Unique 2.34, 4.87 A)
&rst
ixpk= 1396, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1343,1344,1345,
igr2=1196,1197,
&end
#
# 170 LYS HA 170 LYS HG+ 8.00 (# 1397:20 Unique 2.35, 3.17 A)
&rst
ixpk= 1397, nxpk= 20, iat=1191, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1196,1197,
&end
#
# 0 AMB 20-2:1398 0 AMB 20-1:1398 6.00 (# 1398:20 Double Ambig)
&rst
ixpk= 1398, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1382,1383, 826, 827, 829, 830,
igr2=1196,1197, 807, 808,
&end
#
# 0 AMB 20-2:1399 146 LYS HG- 2.80 (# 1399:20 Single Ambig)
&rst
ixpk= 1399, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 804, 805, 804, 805, 826, 827,
igr2= 807, 808,
&end
#
# 0 AMB 20-2:1400 0 AMB 20-1:1400 3.50 (# 1400:20 Double Ambig)
&rst
ixpk= 1400, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1202,1203, 813, 814,
igr2=1196,1197, 807, 808,
&end
#
# 170 LYS HN 170 LYS HG- 6.00 (# 1401:20 Unique 2.60, 3.84 A)
&rst
ixpk= 1401, nxpk= 20, iat=1189, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1196,1197,
&end
#
# 170 LYS HN 170 LYS HG+ 6.00 (# 1402:20 Unique 2.60, 3.84 A)
&rst
ixpk= 1402, nxpk= 20, iat=1189, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1196,1197,
&end
#
# 170 LYS HN 170 LYS HG- 6.00 (# 1403:20 Unique 2.60, 3.84 A)
&rst
ixpk= 1403, nxpk= 20, iat=1189, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1196,1197,
&end
#
# 170 LYS HA 170 LYS HG- 8.00 (# 1404:20 Unique 2.35, 3.17 A)
&rst
ixpk= 1404, nxpk= 20, iat=1191, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1196,1197,
&end
#
# 178 ILE QG2 170 LYS HG- 4.50 (# 1405:20 Unique 2.34, 4.87 A)
&rst
ixpk= 1405, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1343,1344,1345,
igr2=1196,1197,
&end
#
# 131 HIS HB- 133 ALA MB 6.00 (# 1406:20 Unique 3.86, 6.37 A)
&rst
ixpk= 1406, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 567, 568,
igr2= 599, 600, 601,
&end
#
# 131 HIS HB+ 133 ALA MB 6.00 (# 1407:20 Unique 3.86, 6.37 A)
&rst
ixpk= 1407, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 567, 568,
igr2= 599, 600, 601,
&end
#
# 134 ALA HN 133 ALA MB 3.20 (# 1408:20 Unique 2.26, 3.23 A)
&rst
ixpk= 1408, nxpk= 20, iat= 605, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 599, 600, 601,
&end
#
# 133 ALA HN 133 ALA MB 3.20 (# 1409:20 Unique 2.43, 2.98 A)
&rst
ixpk= 1409, nxpk= 20, iat= 595, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 599, 600, 601,
&end
#
# 133 ALA HA 133 ALA MB 2.80 (# 1410:20 Unique 2.45, 2.67 A)
&rst
ixpk= 1410, nxpk= 20, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 599, 600, 601,
&end
#
# 132 ASN HB+ 133 ALA MB 6.00 (# 1411:20 Unique 4.07, 5.87 A)
&rst
ixpk= 1411, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 585, 586,
igr2= 599, 600, 601,
&end
#
# 178 ILE QD1 133 ALA MB 4.50 (# 1412:20 Unique 4.31, 5.90 A)
&rst
ixpk= 1412, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1350,1351,1352,
igr2= 599, 600, 601,
&end
#
# 124 ALA HN 124 ALA MB 2.80 (# 1413:20 Unique 2.44, 2.87 A)
&rst
ixpk= 1413, nxpk= 20, iat= 433, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 437, 438, 439,
&end
#
# 125 ILE HN 124 ALA MB 2.80 (# 1414:20 Unique 2.46, 3.37 A)
&rst
ixpk= 1414, nxpk= 20, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 437, 438, 439,
&end
#
# 158 PHE HE 124 ALA MB 2.80 (# 1415:20 Unique 2.44, 4.27 A)
&rst
ixpk= 1415, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 991, 995,
igr2= 437, 438, 439,
&end
#
# 158 PHE HZ 124 ALA MB 2.80 (# 1416:20 Unique 2.27, 2.92 A)
&rst
ixpk= 1416, nxpk= 20, iat= 993, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 437, 438, 439,
&end
#
# 0 AMB 20-2:1417 124 ALA MB 4.50 (# 1417:20 Single Ambig)
&rst
ixpk= 1417, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 488, 425,
igr2= 437, 438, 439,
&end
#
# 124 ALA HA 124 ALA MB 2.80 (# 1418:20 Unique 2.42, 2.66 A)
&rst
ixpk= 1418, nxpk= 20, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 437, 438, 439,
&end
#
# 0 AMB 20-2:1419 124 ALA MB 6.00 (# 1419:20 Single Ambig)
&rst
ixpk= 1419, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 445, 714,
igr2= 437, 438, 439,
&end
#
# 0 AMB 20-2:1420 124 ALA MB 2.80 (# 1420:20 Single Ambig)
&rst
ixpk= 1420, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1055,1056,1057,1059,1060,1061,1055,1056,1057,1059,
1060,1061, 453, 454,
igr2= 437, 438, 439,
&end
#
# 0 AMB 20-2:1421 124 ALA MB 2.80 (# 1421:20 Single Ambig)
&rst
ixpk= 1421, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1053, 507, 508, 509, 511, 512, 513, 772, 773, 774,
igr2= 437, 438, 439,
&end
#
# 125 ILE QD1 124 ALA MB 6.00 (# 1422:20 Unique 3.64, 5.95 A)
&rst
ixpk= 1422, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 456, 457, 458,
igr2= 437, 438, 439,
&end
#
# 144 ILE HA 144 ILE HG1+ 6.00 (# 1423:20 Unique 2.38, 2.64 A)
&rst
ixpk= 1423, nxpk= 20, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 776, 777,
&end
#
# 144 ILE HN 144 ILE HG1+ 6.00 (# 1424:20 Unique 2.25, 3.04 A)
&rst
ixpk= 1424, nxpk= 20, iat= 766, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 776, 777,
&end
#
# 124 ALA HA 144 ILE HG1+ 4.50 (# 1425:20 Unique 2.05, 2.57 A)
&rst
ixpk= 1425, nxpk= 20, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 776, 777,
&end
#
# 152 ILE HA 152 ILE HG1+ 4.50 (# 1426:20 Unique 2.34, 2.83 A)
&rst
ixpk= 1426, nxpk= 20, iat= 891, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 899, 900,
&end
#
# 0 AMB 20-2:1427 0 AMB 20-1:1427 3.50 (# 1427:20 Double Ambig)
&rst
ixpk= 1427, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 374, 375, 376, 378, 379, 380, 895, 896, 897,
igr2= 899, 900, 899, 900,
&end
#
# 120 LEU MDY 152 ILE HG1+ 4.50 (# 1428:20 Unique 2.19, 4.02 A)
&rst
ixpk= 1428, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 374, 375, 376, 378, 379, 380,
igr2= 899, 900,
&end
#
# 152 ILE QD1 152 ILE HG1+ 3.20 (# 1429:20 Unique 2.33, 2.65 A)
&rst
ixpk= 1429, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 902, 903, 904,
igr2= 899, 900,
&end
#
# 125 ILE HN 125 ILE HG1+ 6.00 (# 1430:20 Unique 2.28, 3.04 A)
&rst
ixpk= 1430, nxpk= 20, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 453, 454,
&end
#
# 125 ILE QD1 125 ILE HG1+ 3.50 (# 1431:20 Unique 2.34, 2.66 A)
&rst
ixpk= 1431, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 456, 457, 458,
igr2= 453, 454,
&end
#
# 0 AMB 20-2:1432 0 AMB 20-1:1432 4.50 (# 1432:20 Double Ambig)
&rst
ixpk= 1432, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 303, 410,
igr2= 864, 865, 866, 868, 869, 870, 453, 454,
&end
#
# 0 AMB 20-2:1433 150 LEU MDY 6.00 (# 1433:20 Single Ambig)
&rst
ixpk= 1433, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 841, 842, 841, 842,
igr2= 864, 865, 866, 868, 869, 870,
&end
#
# 0 AMB 20-2:1434 150 LEU MDY 6.00 (# 1434:20 Single Ambig)
&rst
ixpk= 1434, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 305, 306, 347, 348,
igr2= 864, 865, 866, 868, 869, 870,
&end
#
# 0 AMB 20-2:1435 0 AMB 20-1:1435 4.50 (# 1435:20 Double Ambig)
&rst
ixpk= 1435, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr1= 308, 309, 862, 350, 351, 391, 392,
igr2= 864, 865, 866, 868, 869, 870, 453, 454,
&end
#
# 120 LEU MDX 150 LEU MDY 4.50 (# 1436:20 Unique 2.45, 6.14 A)
&rst
ixpk= 1436, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 374, 375, 376, 378, 379, 380,
igr2= 864, 865, 866, 868, 869, 870,
&end
#
# 135 ILE QD1 0 AMB 20-1:1437 6.00 (# 1437:20 Single Ambig)
&rst
ixpk= 1437, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.97, r4=10.47,
igr1= 628, 629, 630,
igr2= 700, 507, 508, 509, 511, 512, 513,
&end
#
# 0 AMB 20-2:1438 140 LEU HG 6.00 (# 1438:20 Single Ambig)
&rst
ixpk= 1438, nxpk= 20, iat= -1, 700, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1=1012,1013,1014, 776, 777,
&end
#
# 0 AMB 20-2:1439 0 AMB 20-1:1439 6.00 (# 1439:20 Double Ambig)
&rst
ixpk= 1439, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.46, r4=10.96,
igr1= 697, 698,1363, 619,
igr2= 700, 507, 508, 509, 511, 512, 513,
&end
#
# 0 AMB 20-2:1440 0 AMB 20-1:1440 6.00 (# 1440:20 Double Ambig)
&rst
ixpk= 1440, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.97, r4=10.47,
igr1= 500, 695, 658,
igr2= 507, 508, 509, 511, 512, 513, 700,
&end
#
# 0 AMB 20-2:1441 150 LEU MDY 6.00 (# 1441:20 Single Ambig)
&rst
ixpk= 1441, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.19, r4=11.69,
igr1= 308, 309, 859, 860, 372, 350, 351,
igr2= 864, 865, 866, 868, 869, 870,
&end
#
# 0 AMB 20-2:1442 0 AMB 20-1:1442 6.00 (# 1442:20 Double Ambig)
&rst
ixpk= 1442, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.31, r4= 9.81,
igr1= 445, 714,
igr2= 507, 508, 509, 511, 512, 513, 700,
&end
#
# 0 AMB 20-2:1443 0 AMB 20-1:1443 8.00 (# 1443:20 Double Ambig)
&rst
ixpk= 1443, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=14.79, r4=15.29,
igr1=1320,1321,1177,1320,1321,
igr2= 507, 508, 509, 511, 512, 513,1053, 700,
&end
#
# 128 LEU HB+ 128 LEU MDY 4.50 (# 1444:20 Unique 2.39, 3.30 A)
&rst
ixpk= 1444, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 502, 503,
igr2= 507, 508, 509, 511, 512, 513,
&end
#
# 0 AMB 20-2:1445 0 AMB 20-1:1445 4.50 (# 1445:20 Double Ambig)
&rst
ixpk= 1445, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.14, r4= 8.64,
igr1= 437, 438, 439,1110,1111,
igr2=1053, 507, 508, 509, 511, 512, 513,
&end
#
# 0 AMB 20-2:1446 0 AMB 20-1:1446 6.00 (# 1446:20 Double Ambig)
&rst
ixpk= 1446, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.97, r4=12.47,
igr1=1360,1361,1075,1076, 490, 491, 492, 453, 454,
igr2= 507, 508, 509, 511, 512, 513,1053,
&end
#
# 125 ILE QD1 0 AMB 20-1:1447 4.50 (# 1447:20 Single Ambig)
&rst
ixpk= 1447, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
igr1= 456, 457, 458,
igr2= 507, 508, 509, 511, 512, 513,1053,
&end
#
# 0 AMB 20-2:1448 0 AMB 20-1:1448 8.00 (# 1448:20 Double Ambig)
&rst
ixpk= 1448, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1=1131,1140, 991, 995,
igr2=1053, 700,
&end
#
# 0 AMB 20-2:1449 179 LEU MDX 6.00 (# 1449:20 Single Ambig)
&rst
ixpk= 1449, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 519,1175,1414,
igr2=1365,1366,1367,1369,1370,1371,
&end
#
# 168 GLU HB+ 179 LEU MDX 6.00 (# 1450:20 Unique 2.32, 4.43 A)
&rst
ixpk= 1450, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1162,1163,
igr2=1365,1366,1367,1369,1370,1371,
&end
#
# 0 AMB 20-2:1451 179 LEU MDX 6.00 (# 1451:20 Single Ambig)
&rst
ixpk= 1451, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=1360,1361,1416,
igr2=1365,1366,1367,1369,1370,1371,
&end
#
# 0 AMB 20-2:1452 179 LEU MDX 6.00 (# 1452:20 Single Ambig)
&rst
ixpk= 1452, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1360,1361, 453, 454,
igr2=1365,1366,1367,1369,1370,1371,
&end
#
# 0 AMB 20-2:1453 179 LEU MDX 6.00 (# 1453:20 Single Ambig)
&rst
ixpk= 1453, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 524, 525, 527, 528, 527, 528,
igr2=1365,1366,1367,1369,1370,1371,
&end
#
# 179 LEU HG 179 LEU MDX 4.50 (# 1454:20 Unique 2.41, 2.66 A)
&rst
ixpk= 1454, nxpk= 20, iat=1363, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1365,1366,1367,1369,1370,1371,
&end
#
# 183 ILE HG1+ 179 LEU MDX 6.00 (# 1455:20 Unique 2.34, 5.21 A)
&rst
ixpk= 1455, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1422,1423,
igr2=1365,1366,1367,1369,1370,1371,
&end
#
# 125 ILE QD1 179 LEU MDX 6.00 (# 1456:20 Unique 2.64, 6.29 A)
&rst
ixpk= 1456, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 456, 457, 458,
igr2=1365,1366,1367,1369,1370,1371,
&end
#
# 0 AMB 20-2:1457 179 LEU MDY 6.00 (# 1457:20 Single Ambig)
&rst
ixpk= 1457, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1360,1361, 453, 454,
igr2=1365,1366,1367,1369,1370,1371,
&end
#
# 168 GLU HB- 179 LEU MDY 6.00 (# 1458:20 Unique 2.32, 4.43 A)
&rst
ixpk= 1458, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1162,1163,
igr2=1365,1366,1367,1369,1370,1371,
&end
#
# 0 AMB 20-2:1459 179 LEU MDY 6.00 (# 1459:20 Single Ambig)
&rst
ixpk= 1459, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=1360,1361,1416,
igr2=1365,1366,1367,1369,1370,1371,
&end
#
# 179 LEU HG 179 LEU MDY 8.00 (# 1460:20 Unique 2.41, 2.66 A)
&rst
ixpk= 1460, nxpk= 20, iat=1363, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr2=1365,1366,1367,1369,1370,1371,
&end
#
# 121 ARG HB- 162 LEU MDX 6.00 (# 1461:20 Unique 2.81, 6.22 A)
&rst
ixpk= 1461, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 388, 389,
igr2=1055,1056,1057,1059,1060,1061,
&end
#
# 0 AMB 20-2:1462 162 LEU MDX 6.00 (# 1462:20 Single Ambig)
&rst
ixpk= 1462, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=1110,1111, 447,
igr2=1055,1056,1057,1059,1060,1061,
&end
#
# 179 LEU HN 179 LEU MDY 8.00 (# 1463:20 Unique 4.57, 5.46 A)
&rst
ixpk= 1463, nxpk= 20, iat=1356, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr2=1365,1366,1367,1369,1370,1371,
&end
#
# 179 LEU HA 179 LEU MDY 4.50 (# 1464:20 Unique 2.18, 4.01 A)
&rst
ixpk= 1464, nxpk= 20, iat=1358, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1365,1366,1367,1369,1370,1371,
&end
#
# 0 AMB 20-2:1465 179 LEU MDY 6.00 (# 1465:20 Single Ambig)
&rst
ixpk= 1465, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 519,1175,1414,
igr2=1365,1366,1367,1369,1370,1371,
&end
#
# 168 GLU HB+ 179 LEU MDY 6.00 (# 1466:20 Unique 2.32, 4.43 A)
&rst
ixpk= 1466, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1162,1163,
igr2=1365,1366,1367,1369,1370,1371,
&end
#
# 125 ILE QD1 179 LEU MDY 6.00 (# 1467:20 Unique 2.64, 6.29 A)
&rst
ixpk= 1467, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 456, 457, 458,
igr2=1365,1366,1367,1369,1370,1371,
&end
#
# 158 PHE HE 120 LEU MDY 8.00 (# 1468:20 Unique 2.52, 5.82 A)
&rst
ixpk= 1468, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1= 991, 995,
igr2= 374, 375, 376, 378, 379, 380,
&end
#
# 0 AMB 20-2:1469 120 LEU MDY 4.50 (# 1469:20 Single Ambig)
&rst
ixpk= 1469, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 891, 325,
igr2= 374, 375, 376, 378, 379, 380,
&end
#
# 0 AMB 20-2:1470 120 LEU MDY 6.00 (# 1470:20 Single Ambig)
&rst
ixpk= 1470, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 367, 909, 910,
igr2= 374, 375, 376, 378, 379, 380,
&end
#
# 0 AMB 20-2:1471 120 LEU MDY 4.50 (# 1471:20 Single Ambig)
&rst
ixpk= 1471, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 859, 860, 372, 308, 309,
igr2= 374, 375, 376, 378, 379, 380,
&end
#
# 0 AMB 20-2:1472 120 LEU MDY 6.00 (# 1472:20 Single Ambig)
&rst
ixpk= 1472, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 899, 900, 369, 370,
igr2= 374, 375, 376, 378, 379, 380,
&end
#
# 152 ILE HG1+ 120 LEU MDY 6.00 (# 1473:20 Unique 2.19, 4.02 A)
&rst
ixpk= 1473, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 899, 900,
igr2= 374, 375, 376, 378, 379, 380,
&end
#
# 192 LEU HB+ 192 LEU MDY 6.00 (# 1474:20 Unique 2.42, 3.33 A)
&rst
ixpk= 1474, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1536,1537,
igr2=1541,1542,1543,1545,1546,1547,
&end
#
# 0 AMB 20-2:1475 162 LEU MDX 4.50 (# 1475:20 Single Ambig)
&rst
ixpk= 1475, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1131,1140, 991, 995,
igr2=1055,1056,1057,1059,1060,1061,
&end
#
# 158 PHE HZ 162 LEU MDX 6.00 (# 1476:20 Unique 2.72, 4.49 A)
&rst
ixpk= 1476, nxpk= 20, iat= 993, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1055,1056,1057,1059,1060,1061,
&end
#
# 166 TYR HE 162 LEU MDX 6.00 (# 1477:20 Unique 2.50, 7.22 A)
&rst
ixpk= 1477, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1133,1138,
igr2=1055,1056,1057,1059,1060,1061,
&end
#
# 121 ARG HA 162 LEU MDX 4.50 (# 1478:20 Unique 2.32, 4.47 A)
&rst
ixpk= 1478, nxpk= 20, iat= 386, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1055,1056,1057,1059,1060,1061,
&end
#
# 0 AMB 20-2:1479 162 LEU MDX 4.50 (# 1479:20 Single Ambig)
&rst
ixpk= 1479, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1048,1039,1040,
igr2=1055,1056,1057,1059,1060,1061,
&end
#
# 162 LEU HB+ 162 LEU MDX 8.00 (# 1480:20 Unique 2.32, 3.34 A)
&rst
ixpk= 1480, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1=1050,1051,
igr2=1055,1056,1057,1059,1060,1061,
&end
#
# 165 MET HB- 162 LEU MDX 4.50 (# 1481:20 Unique 3.15, 6.46 A)
&rst
ixpk= 1481, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1110,1111,
igr2=1055,1056,1057,1059,1060,1061,
&end
#
# 125 ILE QD1 162 LEU MDX 6.00 (# 1482:20 Unique 2.35, 5.17 A)
&rst
ixpk= 1482, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 456, 457, 458,
igr2=1055,1056,1057,1059,1060,1061,
&end
#
# 0 AMB 20-2:1483 120 LEU MDY 8.00 (# 1483:20 Single Ambig)
&rst
ixpk= 1483, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1= 365, 323,
igr2= 374, 375, 376, 378, 379, 380,
&end
#
# 120 LEU HB- 120 LEU MDY 4.50 (# 1484:20 Unique 2.30, 3.29 A)
&rst
ixpk= 1484, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 369, 370,
igr2= 374, 375, 376, 378, 379, 380,
&end
#
# 192 LEU HG 192 LEU MDY 4.50 (# 1485:20 Unique 2.39, 2.66 A)
&rst
ixpk= 1485, nxpk= 20, iat=1539, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1541,1542,1543,1545,1546,1547,
&end
#
# 192 LEU HA 192 LEU MDY 6.00 (# 1486:20 Unique 2.23, 3.90 A)
&rst
ixpk= 1486, nxpk= 20, iat=1534, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1541,1542,1543,1545,1546,1547,
&end
#
# 127 THR MG2 128 LEU MDX 6.00 (# 1487:20 Unique 3.57, 6.52 A)
&rst
ixpk= 1487, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 490, 491, 492,
igr2= 507, 508, 509, 511, 512, 513,
&end
#
# 135 ILE QD1 128 LEU MDX 6.00 (# 1488:20 Unique 4.08, 7.45 A)
&rst
ixpk= 1488, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 628, 629, 630,
igr2= 507, 508, 509, 511, 512, 513,
&end
#
# 178 ILE HA 128 LEU MDX 6.00 (# 1489:20 Unique 2.59, 4.97 A)
&rst
ixpk= 1489, nxpk= 20, iat=1339, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 507, 508, 509, 511, 512, 513,
&end
#
# 128 LEU HA 128 LEU MDX 4.50 (# 1490:20 Unique 2.20, 3.91 A)
&rst
ixpk= 1490, nxpk= 20, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 507, 508, 509, 511, 512, 513,
&end
#
# 177 TYR HB- 128 LEU MDX 6.00 (# 1491:20 Unique 2.65, 4.90 A)
&rst
ixpk= 1491, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1320,1321,
igr2= 507, 508, 509, 511, 512, 513,
&end
#
# 128 LEU HB+ 128 LEU MDX 6.00 (# 1492:20 Unique 2.39, 3.30 A)
&rst
ixpk= 1492, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 502, 503,
igr2= 507, 508, 509, 511, 512, 513,
&end
#
# 0 AMB 20-2:1493 128 LEU MDX 3.50 (# 1493:20 Single Ambig)
&rst
ixpk= 1493, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1360,1361, 505,
igr2= 507, 508, 509, 511, 512, 513,
&end
#
# 128 LEU HB- 128 LEU MDX 4.50 (# 1494:20 Unique 2.39, 3.30 A)
&rst
ixpk= 1494, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 502, 503,
igr2= 507, 508, 509, 511, 512, 513,
&end
#
# 152 ILE HG1+ 120 LEU MDX 4.50 (# 1495:20 Unique 2.19, 4.02 A)
&rst
ixpk= 1495, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 899, 900,
igr2= 374, 375, 376, 378, 379, 380,
&end
#
# 0 AMB 20-2:1496 120 LEU MDX 4.50 (# 1496:20 Single Ambig)
&rst
ixpk= 1496, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 367, 909, 910,
igr2= 374, 375, 376, 378, 379, 380,
&end
#
# 120 LEU HB- 120 LEU MDX 6.00 (# 1497:20 Unique 2.30, 3.29 A)
&rst
ixpk= 1497, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 369, 370,
igr2= 374, 375, 376, 378, 379, 380,
&end
#
# 0 AMB 20-2:1498 120 LEU MDX 3.50 (# 1498:20 Single Ambig)
&rst
ixpk= 1498, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 859, 860, 372, 308, 309,
igr2= 374, 375, 376, 378, 379, 380,
&end
#
# 0 AMB 20-2:1499 120 LEU MDX 4.50 (# 1499:20 Single Ambig)
&rst
ixpk= 1499, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 899, 900, 369, 370,
igr2= 374, 375, 376, 378, 379, 380,
&end
#
# 150 LEU MDY 120 LEU MDX 6.00 (# 1500:20 Unique 2.45, 6.14 A)
&rst
ixpk= 1500, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 864, 865, 866, 868, 869, 870,
igr2= 374, 375, 376, 378, 379, 380,
&end
#
# 0 AMB 20-2:1501 120 LEU MDX 6.00 (# 1501:20 Single Ambig)
&rst
ixpk= 1501, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 891, 325,
igr2= 374, 375, 376, 378, 379, 380,
&end
#
# 192 LEU HG 192 LEU MDX 6.00 (# 1502:20 Unique 2.39, 2.66 A)
&rst
ixpk= 1502, nxpk= 20, iat=1539, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1541,1542,1543,1545,1546,1547,
&end
#
# 192 LEU HA 192 LEU MDX 4.50 (# 1503:20 Unique 2.23, 3.90 A)
&rst
ixpk= 1503, nxpk= 20, iat=1534, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1541,1542,1543,1545,1546,1547,
&end
#
# 0 AMB 20-2:1504 0 AMB 20-1:1504 4.50 (# 1504:20 Double Ambig)
&rst
ixpk= 1504, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1539,1075,1076,
igr2=1541,1542,1543,1545,1546,1547,1055,1056,1057,1059,
1060,1061,
&end
#
# 151 GLU HN 150 LEU MDX 6.00 (# 1505:20 Unique 3.49, 5.12 A)
&rst
ixpk= 1505, nxpk= 20, iat= 874, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 864, 865, 866, 868, 869, 870,
&end
#
# 150 LEU HA 150 LEU MDX 3.50 (# 1506:20 Unique 2.22, 4.14 A)
&rst
ixpk= 1506, nxpk= 20, iat= 857, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 864, 865, 866, 868, 869, 870,
&end
#
# 135 ILE QD1 140 LEU MDX 4.50 (# 1507:20 Unique 2.40, 5.53 A)
&rst
ixpk= 1507, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 628, 629, 630,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 0 AMB 20-2:1508 150 LEU MDX 8.00 (# 1508:20 Single Ambig)
&rst
ixpk= 1508, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.59, r4=14.09,
igr1= 305, 306, 347, 348,
igr2= 864, 865, 866, 868, 869, 870,
&end
#
# 0 AMB 20-2:1509 0 AMB 20-1:1509 4.50 (# 1509:20 Double Ambig)
&rst
ixpk= 1509, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 505, 353, 354, 353, 354,
igr2= 702, 703, 704, 706, 707, 708, 864, 865, 866, 868,
869, 870,
&end
#
# 0 AMB 20-2:1510 0 AMB 20-1:1510 4.50 (# 1510:20 Double Ambig)
&rst
ixpk= 1510, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 490, 491, 492, 859, 860,
igr2= 702, 703, 704, 706, 707, 708, 864, 865, 866, 868,
869, 870,
&end
#
# 0 AMB 20-2:1511 150 LEU MDX 3.20 (# 1511:20 Single Ambig)
&rst
ixpk= 1511, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 862, 350, 351,
igr2= 864, 865, 866, 868, 869, 870,
&end
#
# 0 AMB 20-2:1512 0 AMB 20-1:1512 3.50 (# 1512:20 Double Ambig)
&rst
ixpk= 1512, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 695, 303, 435,
igr2= 702, 703, 704, 706, 707, 708, 864, 865, 866, 868,
869, 870,
&end
#
# 0 AMB 20-2:1513 140 LEU MDX 4.50 (# 1513:20 Single Ambig)
&rst
ixpk= 1513, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1012,1013,1014, 776, 777,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 127 THR HB 140 LEU MDX 6.00 (# 1514:20 Unique 2.56, 4.63 A)
&rst
ixpk= 1514, nxpk= 20, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 168 GLU HN 169 VAL MGY 8.00 (# 1515:20 Unique 4.00, 6.23 A)
&rst
ixpk= 1515, nxpk= 20, iat=1158, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr2=1179,1180,1181,1183,1184,1185,
&end
#
# 179 LEU HA 169 VAL MGY 6.00 (# 1516:20 Unique 3.03, 4.70 A)
&rst
ixpk= 1516, nxpk= 20, iat=1358, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1179,1180,1181,1183,1184,1185,
&end
#
# 163 ILE HA 169 VAL MGY 6.00 (# 1517:20 Unique 3.49, 4.66 A)
&rst
ixpk= 1517, nxpk= 20, iat=1067, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1179,1180,1181,1183,1184,1185,
&end
#
# 179 LEU HB+ 169 VAL MGY 6.00 (# 1518:20 Unique 2.53, 5.33 A)
&rst
ixpk= 1518, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1360,1361,
igr2=1179,1180,1181,1183,1184,1185,
&end
#
# 170 LYS HN 169 VAL MGY 6.00 (# 1519:20 Unique 2.78, 4.21 A)
&rst
ixpk= 1519, nxpk= 20, iat=1189, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1179,1180,1181,1183,1184,1185,
&end
#
# 169 VAL HN 169 VAL MGY 3.50 (# 1520:20 Unique 2.28, 3.93 A)
&rst
ixpk= 1520, nxpk= 20, iat=1173, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1179,1180,1181,1183,1184,1185,
&end
#
# 166 TYR HD 169 VAL MGY 6.00 (# 1521:20 Unique 3.75, 6.77 A)
&rst
ixpk= 1521, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1131,1140,
igr2=1179,1180,1181,1183,1184,1185,
&end
#
# 169 VAL HA 169 VAL MGY 3.50 (# 1522:20 Unique 2.41, 3.13 A)
&rst
ixpk= 1522, nxpk= 20, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1179,1180,1181,1183,1184,1185,
&end
#
# 166 TYR HB+ 169 VAL MGY 3.50 (# 1523:20 Unique 2.38, 4.81 A)
&rst
ixpk= 1523, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1127,1128,
igr2=1179,1180,1181,1183,1184,1185,
&end
#
# 166 TYR HB- 169 VAL MGY 3.50 (# 1524:20 Unique 2.38, 4.81 A)
&rst
ixpk= 1524, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1127,1128,
igr2=1179,1180,1181,1183,1184,1185,
&end
#
# 0 AMB 20-2:1525 169 VAL MGY 2.80 (# 1525:20 Single Ambig)
&rst
ixpk= 1525, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1177,1165,1166,1320,1321,
igr2=1179,1180,1181,1183,1184,1185,
&end
#
# 163 ILE HG1- 169 VAL MGY 4.50 (# 1526:20 Unique 2.40, 4.47 A)
&rst
ixpk= 1526, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1075,1076,
igr2=1179,1180,1181,1183,1184,1185,
&end
#
# 179 LEU HG 169 VAL MGY 6.00 (# 1527:20 Unique 2.89, 6.43 A)
&rst
ixpk= 1527, nxpk= 20, iat=1363, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1179,1180,1181,1183,1184,1185,
&end
#
# 125 ILE QD1 169 VAL MGY 4.50 (# 1528:20 Unique 2.62, 5.91 A)
&rst
ixpk= 1528, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 456, 457, 458,
igr2=1179,1180,1181,1183,1184,1185,
&end
#
# 0 AMB 20-2:1529 169 VAL MGY 6.00 (# 1529:20 Single Ambig)
&rst
ixpk= 1529, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1162,1163, 502, 503,
igr2=1179,1180,1181,1183,1184,1185,
&end
#
# 178 ILE HN 169 VAL MGX 6.00 (# 1530:20 Unique 3.58, 5.55 A)
&rst
ixpk= 1530, nxpk= 20, iat=1337, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1179,1180,1181,1183,1184,1185,
&end
#
# 0 AMB 20-2:1531 169 VAL MGX 4.50 (# 1531:20 Single Ambig)
&rst
ixpk= 1531, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1360,1361,1050,1051,
igr2=1179,1180,1181,1183,1184,1185,
&end
#
# 0 AMB 20-2:1532 169 VAL MGX 6.00 (# 1532:20 Single Ambig)
&rst
ixpk= 1532, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1075,1076, 453, 454,
igr2=1179,1180,1181,1183,1184,1185,
&end
#
# 170 LYS HN 169 VAL MGX 4.50 (# 1533:20 Unique 2.78, 4.21 A)
&rst
ixpk= 1533, nxpk= 20, iat=1189, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1179,1180,1181,1183,1184,1185,
&end
#
# 169 VAL HN 169 VAL MGX 4.50 (# 1534:20 Unique 2.28, 3.93 A)
&rst
ixpk= 1534, nxpk= 20, iat=1173, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1179,1180,1181,1183,1184,1185,
&end
#
# 177 TYR HD 169 VAL MGX 6.00 (# 1535:20 Unique 2.53, 6.89 A)
&rst
ixpk= 1535, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1324,1333,
igr2=1179,1180,1181,1183,1184,1185,
&end
#
# 179 LEU HA 169 VAL MGX 6.00 (# 1536:20 Unique 3.03, 4.70 A)
&rst
ixpk= 1536, nxpk= 20, iat=1358, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1179,1180,1181,1183,1184,1185,
&end
#
# 169 VAL HA 169 VAL MGX 3.20 (# 1537:20 Unique 2.41, 3.13 A)
&rst
ixpk= 1537, nxpk= 20, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=1179,1180,1181,1183,1184,1185,
&end
#
# 163 ILE HA 169 VAL MGX 6.00 (# 1538:20 Unique 3.49, 4.66 A)
&rst
ixpk= 1538, nxpk= 20, iat=1067, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1179,1180,1181,1183,1184,1185,
&end
#
# 177 TYR HB- 169 VAL MGX 4.50 (# 1539:20 Unique 3.37, 6.12 A)
&rst
ixpk= 1539, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1320,1321,
igr2=1179,1180,1181,1183,1184,1185,
&end
#
# 0 AMB 20-2:1540 169 VAL MGX 2.80 (# 1540:20 Single Ambig)
&rst
ixpk= 1540, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1177,1165,1166,1320,1321,
igr2=1179,1180,1181,1183,1184,1185,
&end
#
# 163 ILE HG1- 169 VAL MGX 3.50 (# 1541:20 Unique 2.40, 4.47 A)
&rst
ixpk= 1541, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1075,1076,
igr2=1179,1180,1181,1183,1184,1185,
&end
#
# 125 ILE QD1 169 VAL MGX 6.00 (# 1542:20 Unique 2.62, 5.91 A)
&rst
ixpk= 1542, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 456, 457, 458,
igr2=1179,1180,1181,1183,1184,1185,
&end
#
# 178 ILE QD1 178 ILE HG1+ 2.80 (# 1543:20 Unique 2.41, 2.66 A)
&rst
ixpk= 1543, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1350,1351,1352,
igr2=1347,1348,
&end
#
# 183 ILE HN 183 ILE HG1+ 4.50 (# 1544:20 Unique 2.16, 3.44 A)
&rst
ixpk= 1544, nxpk= 20, iat=1412, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1422,1423,
&end
#
# 141 GLN HA 159 MET ME 3.50 (# 1545:20 Unique 3.41, 4.13 A)
&rst
ixpk= 1545, nxpk= 20, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1012,1013,1014,
&end
#
# 0 AMB 20-2:1546 159 MET ME 3.50 (# 1546:20 Single Ambig)
&rst
ixpk= 1546, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 658, 660, 661,
igr2=1012,1013,1014,
&end
#
# 0 AMB 20-2:1547 159 MET ME 6.00 (# 1547:20 Single Ambig)
&rst
ixpk= 1547, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1003, 669,
igr2=1012,1013,1014,
&end
#
# 135 ILE HA 135 ILE QD1 6.00 (# 1548:20 Unique 2.33, 4.40 A)
&rst
ixpk= 1548, nxpk= 20, iat= 617, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 628, 629, 630,
&end
#
# 179 LEU HA 178 ILE QG2 6.00 (# 1549:20 Unique 3.54, 4.70 A)
&rst
ixpk= 1549, nxpk= 20, iat=1358, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1343,1344,1345,
&end
#
# 170 LYS HA 178 ILE QG2 6.00 (# 1550:20 Unique 4.38, 5.50 A)
&rst
ixpk= 1550, nxpk= 20, iat=1191, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1343,1344,1345,
&end
#
# 133 ALA HA 178 ILE QD1 3.20 (# 1551:20 Unique 2.53, 3.68 A)
&rst
ixpk= 1551, nxpk= 20, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2=1350,1351,1352,
&end
#
# 134 ALA HA 178 ILE QD1 4.50 (# 1552:20 Unique 2.34, 3.59 A)
&rst
ixpk= 1552, nxpk= 20, iat= 607, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1350,1351,1352,
&end
#
# 145 GLU HA 144 ILE QG2 4.50 (# 1553:20 Unique 3.08, 4.24 A)
&rst
ixpk= 1553, nxpk= 20, iat= 787, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 772, 773, 774,
&end
#
# 144 ILE HA 144 ILE QG2 3.50 (# 1554:20 Unique 2.56, 3.31 A)
&rst
ixpk= 1554, nxpk= 20, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 772, 773, 774,
&end
#
# 0 AMB 20-2:1555 144 ILE QG2 3.50 (# 1555:20 Single Ambig)
&rst
ixpk= 1555, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 367, 435,
igr2= 772, 773, 774,
&end
#
# 0 AMB 20-2:1556 144 ILE QG2 6.00 (# 1556:20 Single Ambig)
&rst
ixpk= 1556, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 841, 842, 841, 842,
igr2= 772, 773, 774,
&end
#
# 122 GLU HA 125 ILE QG2 6.00 (# 1557:20 Unique 4.21, 5.16 A)
&rst
ixpk= 1557, nxpk= 20, iat= 410, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 449, 450, 451,
&end
#
# 126 LYS HA 125 ILE QG2 6.00 (# 1558:20 Unique 3.54, 4.74 A)
&rst
ixpk= 1558, nxpk= 20, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 449, 450, 451,
&end
#
# 125 ILE HA 125 ILE QG2 3.20 (# 1559:20 Unique 2.53, 3.26 A)
&rst
ixpk= 1559, nxpk= 20, iat= 445, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 449, 450, 451,
&end
#
# 129 LYS HE+ 125 ILE QG2 3.50 (# 1560:20 Unique 2.29, 4.73 A)
&rst
ixpk= 1560, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 530, 531,
igr2= 449, 450, 451,
&end
#
# 0 AMB 20-2:1561 152 ILE QG2 4.50 (# 1561:20 Single Ambig)
&rst
ixpk= 1561, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 918, 983,
igr2= 895, 896, 897,
&end
#
# 155 MET HA 152 ILE QG2 2.80 (# 1562:20 Unique 2.20, 3.08 A)
&rst
ixpk= 1562, nxpk= 20, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 895, 896, 897,
&end
#
# 153 PRO HD- 152 ILE QG2 4.50 (# 1563:20 Unique 2.33, 3.79 A)
&rst
ixpk= 1563, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 909, 910,
igr2= 895, 896, 897,
&end
#
# 158 PHE HB- 152 ILE QG2 3.50 (# 1564:20 Unique 2.33, 3.10 A)
&rst
ixpk= 1564, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 985, 986,
igr2= 895, 896, 897,
&end
#
# 153 PRO HD+ 152 ILE QG2 4.50 (# 1565:20 Unique 2.33, 3.79 A)
&rst
ixpk= 1565, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 909, 910,
igr2= 895, 896, 897,
&end
#
# 158 PHE HB+ 152 ILE QG2 3.50 (# 1566:20 Unique 2.33, 3.10 A)
&rst
ixpk= 1566, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 985, 986,
igr2= 895, 896, 897,
&end
#
# 0 AMB 20-2:1567 178 ILE QG2 4.50 (# 1567:20 Single Ambig)
&rst
ixpk= 1567, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1339,1377,
igr2=1343,1344,1345,
&end
#
# 172 PRO HD+ 178 ILE QG2 4.50 (# 1568:20 Unique 2.13, 3.56 A)
&rst
ixpk= 1568, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1234,1235,
igr2=1343,1344,1345,
&end
#
# 172 PRO HD- 178 ILE QG2 3.50 (# 1569:20 Unique 2.13, 3.56 A)
&rst
ixpk= 1569, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1234,1235,
igr2=1343,1344,1345,
&end
#
# 0 AMB 20-2:1570 144 ILE QD1 6.00 (# 1570:20 Single Ambig)
&rst
ixpk= 1570, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 488, 938,
igr2= 779, 780, 781,
&end
#
# 124 ALA HA 144 ILE QD1 3.50 (# 1571:20 Unique 2.55, 3.60 A)
&rst
ixpk= 1571, nxpk= 20, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 779, 780, 781,
&end
#
# 141 GLN HA 144 ILE QD1 4.50 (# 1572:20 Unique 2.17, 3.41 A)
&rst
ixpk= 1572, nxpk= 20, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 779, 780, 781,
&end
#
# 144 ILE HA 144 ILE QD1 6.00 (# 1573:20 Unique 4.41, 4.64 A)
&rst
ixpk= 1573, nxpk= 20, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 779, 780, 781,
&end
#
# 0 AMB 20-2:1574 152 ILE QD1 4.50 (# 1574:20 Single Ambig)
&rst
ixpk= 1574, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 891, 731,
igr2= 902, 903, 904,
&end
#
# 0 AMB 20-2:1575 152 ILE QD1 6.00 (# 1575:20 Single Ambig)
&rst
ixpk= 1575, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 909, 910, 367, 435,
igr2= 902, 903, 904,
&end
#
# 141 GLN HA 152 ILE QD1 4.50 (# 1576:20 Unique 2.26, 3.17 A)
&rst
ixpk= 1576, nxpk= 20, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 902, 903, 904,
&end
#
# 183 ILE HA 183 ILE QD1 4.50 (# 1577:20 Unique 2.23, 4.35 A)
&rst
ixpk= 1577, nxpk= 20, iat=1414, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1425,1426,1427,
&end
#
# 0 AMB 20-2:1578 183 ILE QD1 8.00 (# 1578:20 Single Ambig)
&rst
ixpk= 1578, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1=1127,1128, 530, 531,
igr2=1425,1426,1427,
&end
#
# 166 TYR HB- 183 ILE QD1 6.00 (# 1579:20 Unique 2.47, 4.95 A)
&rst
ixpk= 1579, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1127,1128,
igr2=1425,1426,1427,
&end
#
# 140 LEU HA 135 ILE QD1 3.50 (# 1580:20 Unique 2.40, 3.34 A)
&rst
ixpk= 1580, nxpk= 20, iat= 695, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 628, 629, 630,
&end
#
# 125 ILE HA 125 ILE QD1 4.50 (# 1581:20 Unique 2.12, 3.53 A)
&rst
ixpk= 1581, nxpk= 20, iat= 445, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 456, 457, 458,
&end
#
# 145 GLU HG+ 144 ILE QG2 6.00 (# 1582:20 Unique 2.94, 4.27 A)
&rst
ixpk= 1582, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 792, 793,
igr2= 772, 773, 774,
&end
#
# 144 ILE HG1- 144 ILE QG2 3.50 (# 1583:20 Unique 2.47, 3.47 A)
&rst
ixpk= 1583, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 776, 777,
igr2= 772, 773, 774,
&end
#
# 147 GLU HB+ 144 ILE QG2 6.00 (# 1584:20 Unique 4.59, 6.45 A)
&rst
ixpk= 1584, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 826, 827,
igr2= 772, 773, 774,
&end
#
# 144 ILE HB 144 ILE QG2 2.80 (# 1586:20 Unique 2.41, 2.67 A)
&rst
ixpk= 1586, nxpk= 20, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 772, 773, 774,
&end
#
# 123 ALA MB 144 ILE QG2 3.50 (# 1587:20 Unique 2.30, 4.20 A)
&rst
ixpk= 1587, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 427, 428, 429,
igr2= 772, 773, 774,
&end
#
# 0 AMB 20-2:1588 125 ILE QG2 3.50 (# 1588:20 Single Ambig)
&rst
ixpk= 1588, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 453, 454, 469, 470,
igr2= 449, 450, 451,
&end
#
# 183 ILE HG1+ 125 ILE QG2 6.00 (# 1589:20 Unique 2.43, 5.36 A)
&rst
ixpk= 1589, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1422,1423,
igr2= 449, 450, 451,
&end
#
# 0 AMB 20-2:1590 125 ILE QG2 2.80 (# 1590:20 Single Ambig)
&rst
ixpk= 1590, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 447, 502, 503,
igr2= 449, 450, 451,
&end
#
# 0 AMB 20-2:1591 125 ILE QG2 3.50 (# 1591:20 Single Ambig)
&rst
ixpk= 1591, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 527, 528, 527, 528, 524, 525, 472, 473, 472, 473,
igr2= 449, 450, 451,
&end
#
# 0 AMB 20-2:1592 125 ILE QG2 4.50 (# 1592:20 Single Ambig)
&rst
ixpk= 1592, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1422,1423, 524, 525,
igr2= 449, 450, 451,
&end
#
# 0 AMB 20-2:1593 152 ILE QG2 4.50 (# 1593:20 Single Ambig)
&rst
ixpk= 1593, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 940, 941, 940, 941, 719, 720,
igr2= 895, 896, 897,
&end
#
# 152 ILE HB 152 ILE QG2 2.80 (# 1594:20 Unique 2.43, 2.67 A)
&rst
ixpk= 1594, nxpk= 20, iat= 893, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 895, 896, 897,
&end
#
# 152 ILE HG1- 152 ILE QG2 3.50 (# 1595:20 Unique 2.47, 3.56 A)
&rst
ixpk= 1595, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 899, 900,
igr2= 895, 896, 897,
&end
#
# 0 AMB 20-2:1596 152 ILE QG2 4.50 (# 1596:20 Single Ambig)
&rst
ixpk= 1596, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 943, 944, 943, 944, 926, 927,
igr2= 895, 896, 897,
&end
#
# 180 GLU HG+ 178 ILE QG2 4.50 (# 1597:20 Unique 2.33, 4.67 A)
&rst
ixpk= 1597, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1382,1383,
igr2=1343,1344,1345,
&end
#
# 0 AMB 20-2:1598 178 ILE QG2 3.50 (# 1598:20 Single Ambig)
&rst
ixpk= 1598, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1193,1194,1193,1194,1237,1238,
igr2=1343,1344,1345,
&end
#
# 0 AMB 20-2:1599 178 ILE QG2 2.80 (# 1599:20 Single Ambig)
&rst
ixpk= 1599, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1196,1197,1341,1199,1200,
igr2=1343,1344,1345,
&end
#
# 123 ALA MB 144 ILE QD1 3.50 (# 1600:20 Unique 4.90, 6.42 A)
&rst
ixpk= 1600, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 427, 428, 429,
igr2= 779, 780, 781,
&end
#
# 0 AMB 20-2:1601 144 ILE QD1 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= 490, 491, 492, 494,
igr2= 779, 780, 781,
&end
#
# 0 AMB 20-2:1602 144 ILE QD1 2.80 (# 1602:20 Single Ambig)
&rst
ixpk= 1602, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1012,1013,1014, 776, 777,
igr2= 779, 780, 781,
&end
#
# 124 ALA MB 144 ILE QD1 2.80 (# 1603:20 Unique 2.37, 3.85 A)
&rst
ixpk= 1603, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 437, 438, 439,
igr2= 779, 780, 781,
&end
#
# 0 AMB 20-2:1604 152 ILE QD1 3.50 (# 1604:20 Single Ambig)
&rst
ixpk= 1604, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 943, 944, 943, 944, 792, 793,
igr2= 902, 903, 904,
&end
#
# 0 AMB 20-2:1605 152 ILE QD1 3.50 (# 1605:20 Single Ambig)
&rst
ixpk= 1605, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 719, 720, 716, 717,
igr2= 902, 903, 904,
&end
#
# 0 AMB 20-2:1606 152 ILE QD1 4.50 (# 1606:20 Single Ambig)
&rst
ixpk= 1606, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 716, 717,1008,1009,
igr2= 902, 903, 904,
&end
#
# 159 MET ME 152 ILE QD1 4.50 (# 1607:20 Unique 2.57, 4.06 A)
&rst
ixpk= 1607, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1012,1013,1014,
igr2= 902, 903, 904,
&end
#
# 155 MET ME 152 ILE QD1 6.00 (# 1608:20 Unique 3.79, 7.29 A)
&rst
ixpk= 1608, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 947, 948, 949,
igr2= 902, 903, 904,
&end
#
# 144 ILE HB 152 ILE QD1 3.50 (# 1609:20 Unique 2.41, 3.66 A)
&rst
ixpk= 1609, nxpk= 20, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 902, 903, 904,
&end
#
# 152 ILE HB 152 ILE QD1 3.20 (# 1610:20 Unique 2.50, 3.23 A)
&rst
ixpk= 1610, nxpk= 20, iat= 893, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 902, 903, 904,
&end
#
# 0 AMB 20-2:1611 152 ILE QD1 2.80 (# 1611:20 Single Ambig)
&rst
ixpk= 1611, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 899, 900, 369, 370,
igr2= 902, 903, 904,
&end
#
# 140 LEU HB- 135 ILE QD1 4.50 (# 1612:20 Unique 2.55, 4.50 A)
&rst
ixpk= 1612, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 697, 698,
igr2= 628, 629, 630,
&end
#
# 0 AMB 20-2:1613 183 ILE QD1 6.00 (# 1613:20 Single Ambig)
&rst
ixpk= 1613, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=1162,1163, 521, 522, 521, 522,
igr2=1425,1426,1427,
&end
#
# 168 GLU HG- 183 ILE QD1 8.00 (# 1614:20 Unique 2.37, 5.88 A)
&rst
ixpk= 1614, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=1165,1166,
igr2=1425,1426,1427,
&end
#
# 183 ILE HB 183 ILE QD1 3.50 (# 1615:20 Unique 2.42, 3.21 A)
&rst
ixpk= 1615, nxpk= 20, iat=1416, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1425,1426,1427,
&end
#
# 0 AMB 20-2:1616 183 ILE QD1 3.20 (# 1616:20 Single Ambig)
&rst
ixpk= 1616, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=1422,1423, 524, 525,
igr2=1425,1426,1427,
&end
#
# 0 AMB 20-2:1617 135 ILE QD1 4.50 (# 1617:20 Single Ambig)
&rst
ixpk= 1617, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 685, 686, 758, 759,
igr2= 628, 629, 630,
&end
#
# 0 AMB 20-2:1618 135 ILE QD1 3.50 (# 1618:20 Single Ambig)
&rst
ixpk= 1618, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 682, 683, 682, 683,
igr2= 628, 629, 630,
&end
#
# 135 ILE HG1+ 135 ILE QD1 2.80 (# 1619:20 Unique 2.38, 2.66 A)
&rst
ixpk= 1619, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 625, 626,
igr2= 628, 629, 630,
&end
#
# 135 ILE HG1- 135 ILE QD1 2.80 (# 1620:20 Unique 2.38, 2.66 A)
&rst
ixpk= 1620, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 625, 626,
igr2= 628, 629, 630,
&end
#
# 0 AMB 20-2:1621 125 ILE QD1 4.50 (# 1621:20 Single Ambig)
&rst
ixpk= 1621, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 447, 502, 503,
igr2= 456, 457, 458,
&end
#
# 125 ILE HG1- 125 ILE QD1 3.50 (# 1622:20 Unique 2.34, 2.66 A)
&rst
ixpk= 1622, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 453, 454,
igr2= 456, 457, 458,
&end
#
# 0 AMB 20-2:1623 125 ILE QD1 6.00 (# 1623:20 Single Ambig)
&rst
ixpk= 1623, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1= 437, 438, 439,1110,1111,
igr2= 456, 457, 458,
&end
#
# 144 ILE QD1 152 ILE QG2 6.00 (# 1624:20 Unique 4.80, 6.61 A)
&rst
ixpk= 1624, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 779, 780, 781,
igr2= 895, 896, 897,
&end
#
# 0 AMB 20-2:1625 152 ILE QD1 2.80 (# 1625:20 Single Ambig)
&rst
ixpk= 1625, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 772, 773, 774, 779, 780, 781,
igr2= 902, 903, 904,
&end
#
# 0 AMB 20-2:1626 135 ILE QD1 3.20 (# 1626:20 Single Ambig)
&rst
ixpk= 1626, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 621, 622, 623, 702, 703, 704, 706, 707, 708,
igr2= 628, 629, 630,
&end
#
# 0 AMB 20-2:1627 125 ILE QD1 2.80 (# 1627:20 Single Ambig)
&rst
ixpk= 1627, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 453, 454,1055,1056,1057,1059,1060,1061,1055,1056,
1057,1059,1060,1061,1179,1180,1181,1183,1184,1185,
igr2= 456, 457, 458,
&end
#
# 0 AMB 20-2:1628 125 ILE QD1 2.80 (# 1628:20 Single Ambig)
&rst
ixpk= 1628, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 449, 450, 451,1425,1426,1427, 507, 508, 509, 511,
512, 513,1365,1366,1367,1369,1370,1371,
igr2= 456, 457, 458,
&end
#
# 0 AMB 20-2:1629 159 MET ME 2.80 (# 1629:20 Single Ambig)
&rst
ixpk= 1629, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 700, 779, 780, 781,
igr2=1012,1013,1014,
&end
#
# 140 LEU MDX 159 MET ME 4.50 (# 1630:20 Unique 2.44, 4.82 A)
&rst
ixpk= 1630, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 702, 703, 704, 706, 707, 708,
igr2=1012,1013,1014,
&end
#
# 152 ILE QD1 159 MET ME 4.50 (# 1631:20 Unique 2.57, 4.06 A)
&rst
ixpk= 1631, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 902, 903, 904,
igr2=1012,1013,1014,
&end
#
# 0 AMB 20-2:1632 159 MET ME 2.80 (# 1632:20 Single Ambig)
&rst
ixpk= 1632, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 943, 944, 943, 944,
igr2=1012,1013,1014,
&end
#
# 159 MET HG+ 159 MET ME 3.50 (# 1633:20 Unique 2.43, 3.20 A)
&rst
ixpk= 1633, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1008,1009,
igr2=1012,1013,1014,
&end
#
# 0 AMB 20-2:1635 159 MET ME 4.50 (# 1635:20 Single Ambig)
&rst
ixpk= 1635, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 770, 505,1050,1051,
igr2=1012,1013,1014,
&end
#
# 140 LEU HB+ 159 MET ME 4.50 (# 1636:20 Unique 2.35, 4.51 A)
&rst
ixpk= 1636, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 697, 698,
igr2=1012,1013,1014,
&end
#
# 0 AMB 20-2:1637 159 MET ME 8.00 (# 1637:20 Single Ambig)
&rst
ixpk= 1637, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 656, 766,
igr2=1012,1013,1014,
&end
#
# 141 GLN HN 159 MET ME 3.50 (# 1638:20 Unique 3.03, 4.09 A)
&rst
ixpk= 1638, nxpk= 20, iat= 712, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1012,1013,1014,
&end
#
# 140 LEU HN 159 MET ME 6.00 (# 1639:20 Unique 4.48, 5.86 A)
&rst
ixpk= 1639, nxpk= 20, iat= 693, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1012,1013,1014,
&end
#
# 0 AMB 20-2:1640 144 ILE QG2 6.00 (# 1640:20 Single Ambig)
&rst
ixpk= 1640, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 423, 800, 848,
igr2= 772, 773, 774,
&end
#
# 0 AMB 20-2:1641 144 ILE QG2 3.50 (# 1641:20 Single Ambig)
&rst
ixpk= 1641, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 785, 766,
igr2= 772, 773, 774,
&end
#
# 184 GLU HN 183 ILE QG2 4.50 (# 1642:20 Unique 2.54, 4.22 A)
&rst
ixpk= 1642, nxpk= 20, iat=1431, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1418,1419,1420,
&end
#
# 183 ILE HN 183 ILE QG2 4.50 (# 1643:20 Unique 1.89, 3.97 A)
&rst
ixpk= 1643, nxpk= 20, iat=1412, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1418,1419,1420,
&end
#
# 185 SER HN 183 ILE QG2 6.00 (# 1644:20 Unique 1.93, 6.05 A)
&rst
ixpk= 1644, nxpk= 20, iat=1446, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1418,1419,1420,
&end
#
# 0 AMB 20-2:1645 125 ILE QG2 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= 517, 408,
igr2= 449, 450, 451,
&end
#
# 152 ILE HN 152 ILE QG2 6.00 (# 1646:20 Unique 3.90, 4.59 A)
&rst
ixpk= 1646, nxpk= 20, iat= 889, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 895, 896, 897,
&end
#
# 141 GLN HE2- 152 ILE QG2 6.00 (# 1647:20 Unique 2.75, 5.51 A)
&rst
ixpk= 1647, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 724, 725,
igr2= 895, 896, 897,
&end
#
# 158 PHE HN 152 ILE QG2 6.00 (# 1648:20 Unique 4.19, 4.54 A)
&rst
ixpk= 1648, nxpk= 20, iat= 981, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 895, 896, 897,
&end
#
# 135 ILE HN 135 ILE QG2 3.50 (# 1649:20 Unique 1.94, 3.13 A)
&rst
ixpk= 1649, nxpk= 20, iat= 615, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 621, 622, 623,
&end
#
# 0 AMB 20-2:1650 135 ILE QG2 6.00 (# 1650:20 Single Ambig)
&rst
ixpk= 1650, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1337, 712,
igr2= 621, 622, 623,
&end
#
# 0 AMB 20-2:1651 135 ILE QG2 4.50 (# 1651:20 Single Ambig)
&rst
ixpk= 1651, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 634, 656,
igr2= 621, 622, 623,
&end
#
# 140 LEU HN 135 ILE QG2 6.00 (# 1652:20 Unique 4.22, 5.19 A)
&rst
ixpk= 1652, nxpk= 20, iat= 693, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 621, 622, 623,
&end
#
# 170 LYS HN 178 ILE QG2 6.00 (# 1653:20 Unique 3.06, 3.95 A)
&rst
ixpk= 1653, nxpk= 20, iat=1189, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1343,1344,1345,
&end
#
# 178 ILE HN 178 ILE QG2 3.50 (# 1654:20 Unique 2.46, 3.52 A)
&rst
ixpk= 1654, nxpk= 20, iat=1337, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1343,1344,1345,
&end
#
# 0 AMB 20-2:1655 178 ILE QG2 8.00 (# 1655:20 Single Ambig)
&rst
ixpk= 1655, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04,
igr1=1211,1247,1173,
igr2=1343,1344,1345,
&end
#
# 0 AMB 20-2:1656 144 ILE QD1 6.00 (# 1656:20 Single Ambig)
&rst
ixpk= 1656, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 433,1001,
igr2= 779, 780, 781,
&end
#
# 0 AMB 20-2:1657 144 ILE QD1 8.00 (# 1657:20 Single Ambig)
&rst
ixpk= 1657, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04,
igr1= 751, 443, 423,
igr2= 779, 780, 781,
&end
#
# 0 AMB 20-2:1658 144 ILE QD1 4.50 (# 1658:20 Single Ambig)
&rst
ixpk= 1658, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 766, 785,
igr2= 779, 780, 781,
&end
#
# 179 LEU HN 178 ILE QD1 6.00 (# 1659:20 Unique 2.24, 4.24 A)
&rst
ixpk= 1659, nxpk= 20, iat=1356, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1350,1351,1352,
&end
#
# 134 ALA HN 178 ILE QD1 3.50 (# 1660:20 Unique 2.71, 3.68 A)
&rst
ixpk= 1660, nxpk= 20, iat= 605, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1350,1351,1352,
&end
#
# 0 AMB 20-2:1661 163 ILE QD1 4.50 (# 1661:20 Single Ambig)
&rst
ixpk= 1661, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1211,1065,
igr2=1078,1079,1080,
&end
#
# 152 ILE HN 152 ILE QD1 6.00 (# 1662:20 Unique 4.08, 4.61 A)
&rst
ixpk= 1662, nxpk= 20, iat= 889, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 902, 903, 904,
&end
#
# 0 AMB 20-2:1663 152 ILE QD1 6.00 (# 1663:20 Single Ambig)
&rst
ixpk= 1663, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 785, 766,
igr2= 902, 903, 904,
&end
#
# 141 GLN HE2- 152 ILE QD1 8.00 (# 1664:20 Unique 3.42, 4.91 A)
&rst
ixpk= 1664, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 724, 725,
igr2= 902, 903, 904,
&end
#
# 136 LYS HN 135 ILE QD1 8.00 (# 1665:20 Unique 2.51, 4.86 A)
&rst
ixpk= 1665, nxpk= 20, iat= 634, -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr2= 628, 629, 630,
&end
#
# 0 AMB 20-2:1666 183 ILE QD1 6.00 (# 1666:20 Single Ambig)
&rst
ixpk= 1666, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1412,1173,
igr2=1425,1426,1427,
&end
#
# 140 LEU HN 135 ILE QD1 6.00 (# 1668:20 Unique 3.45, 4.26 A)
&rst
ixpk= 1668, nxpk= 20, iat= 693, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 628, 629, 630,
&end
#
# 0 AMB 20-2:1669 125 ILE QD1 6.00 (# 1669:20 Single Ambig)
&rst
ixpk= 1669, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 443, 462,
igr2= 456, 457, 458,
&end
#
# 141 GLN HE2+ 152 ILE QG2 8.00 (# 1670:20 Unique 2.75, 5.51 A)
&rst
ixpk= 1670, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 724, 725,
igr2= 895, 896, 897,
&end
#
# 154 ASN HN 152 ILE QG2 3.50 (# 1671:20 Unique 2.26, 3.27 A)
&rst
ixpk= 1671, nxpk= 20, iat= 922, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 895, 896, 897,
&end
#
# 158 PHE HE 152 ILE QG2 8.00 (# 1672:20 Unique 4.19, 5.85 A)
&rst
ixpk= 1672, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 991, 995,
igr2= 895, 896, 897,
&end
#
# 158 PHE HD 152 ILE QG2 4.50 (# 1673:20 Unique 2.58, 4.35 A)
&rst
ixpk= 1673, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 989, 997,
igr2= 895, 896, 897,
&end
#
# 158 PHE HE 152 ILE QD1 6.00 (# 1674:20 Unique 2.78, 5.39 A)
&rst
ixpk= 1674, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 991, 995,
igr2= 902, 903, 904,
&end
#
# 158 PHE HD 152 ILE QD1 6.00 (# 1675:20 Unique 2.45, 5.11 A)
&rst
ixpk= 1675, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 989, 997,
igr2= 902, 903, 904,
&end
#
# 166 TYR HD 183 ILE QD1 6.00 (# 1676:20 Unique 2.49, 5.06 A)
&rst
ixpk= 1676, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1131,1140,
igr2=1425,1426,1427,
&end
#
# 158 PHE HE 144 ILE QD1 4.50 (# 1677:20 Unique 2.20, 4.75 A)
&rst
ixpk= 1677, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 991, 995,
igr2= 779, 780, 781,
&end
#
# 158 PHE HE 144 ILE QG2 6.00 (# 1678:20 Unique 2.82, 5.31 A)
&rst
ixpk= 1678, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 991, 995,
igr2= 772, 773, 774,
&end
#
# 158 PHE HZ 144 ILE QG2 8.00 (# 1679:20 Unique 3.35, 4.58 A)
&rst
ixpk= 1679, nxpk= 20, iat= 993, -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr2= 772, 773, 774,
&end
#
# 158 PHE HZ 144 ILE QD1 6.00 (# 1680:20 Unique 3.14, 4.41 A)
&rst
ixpk= 1680, nxpk= 20, iat= 993, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 779, 780, 781,
&end
#
# 99 ILE HB 99 ILE HA 6.00 (# 1681:20 Unique 2.07, 2.70 A)
&rst
ixpk= 1681, nxpk= 20, iat= 42, 40, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 100 PRO HD- 99 ILE HA 4.50 (# 1682:20 Unique 2.06, 2.59 A)
&rst
ixpk= 1682, nxpk= 20, iat= -1, 40, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 58, 59,
&end
#
# 153 PRO HD- 152 ILE HA 2.80 (# 1683:20 Unique 2.05, 2.39 A)
&rst
ixpk= 1683, nxpk= 20, iat= -1, 891, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 909, 910,
&end
#
# 125 ILE HN 125 ILE HG1- 4.50 (# 1684:20 Unique 2.28, 3.04 A)
&rst
ixpk= 1684, nxpk= 20, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 453, 454,
&end
#
# 183 ILE HA 183 ILE HG1+ 4.50 (# 1685:20 Unique 2.32, 3.03 A)
&rst
ixpk= 1685, nxpk= 20, iat=1414, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1422,1423,
&end
#
# 0 AMB 20-2:1686 125 ILE HG1- 3.50 (# 1686:20 Single Ambig)
&rst
ixpk= 1686, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 449, 450, 451,1425,1426,1427,1053,
igr2= 453, 454,
&end
#
# 135 ILE QD1 135 ILE HG1- 3.50 (# 1687:20 Unique 2.38, 2.66 A)
&rst
ixpk= 1687, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 628, 629, 630,
igr2= 625, 626,
&end
#
# 0 AMB 20-2:1688 0 AMB 20-1:1688 3.20 (# 1688:20 Double Ambig)
&rst
ixpk= 1688, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1=1418,1419,1420, 453, 454,
igr2=1422,1423,1422,1423,
&end
#
# 0 AMB 20-2:1689 0 AMB 20-1:1689 2.80 (# 1689:20 Double Ambig)
&rst
ixpk= 1689, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 621, 622, 623, 51, 52, 53,
igr2= 625, 626, 48, 49,
&end
#
# 183 ILE HB 183 ILE HG1- 6.00 (# 1690:20 Unique 2.41, 2.76 A)
&rst
ixpk= 1690, nxpk= 20, iat=1416, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1422,1423,
&end
#
# 183 ILE HB 183 ILE HG1+ 8.00 (# 1691:20 Unique 2.41, 2.76 A)
&rst
ixpk= 1691, nxpk= 20, iat=1416, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1422,1423,
&end
#
# 125 ILE HB 125 ILE HG1- 6.00 (# 1692:20 Unique 2.40, 2.58 A)
&rst
ixpk= 1692, nxpk= 20, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 453, 454,
&end
#
# 0 AMB 20-2:1693 126 LYS HG- 4.50 (# 1693:20 Single Ambig)
&rst
ixpk= 1693, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 466, 467, 447, 543, 544,
igr2= 469, 470,
&end
#
# 0 AMB 20-2:1694 126 LYS HG- 3.50 (# 1694:20 Single Ambig)
&rst
ixpk= 1694, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 466, 467, 543, 544,
igr2= 469, 470,
&end
#
# 125 ILE QD1 125 ILE HG1- 3.50 (# 1695:20 Unique 2.34, 2.66 A)
&rst
ixpk= 1695, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 456, 457, 458,
igr2= 453, 454,
&end
#
# 113 PRO HD- 112 ARG HA 2.80 (# 1696:20 Unique 2.03, 2.49 A)
&rst
ixpk= 1696, nxpk= 20, iat= -1, 247, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 270, 271,
&end
#
# 113 PRO HD+ 112 ARG HA 2.80 (# 1697:20 Unique 2.03, 2.49 A)
&rst
ixpk= 1697, nxpk= 20, iat= -1, 247, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 270, 271,
&end
#
# 99 ILE HA 99 ILE QG2 4.50 (# 1698:20 Unique 2.28, 3.26 A)
&rst
ixpk= 1698, nxpk= 20, iat= 40, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 44, 45, 46,
&end
#
# 99 ILE HG1+ 99 ILE QD1 6.00 (# 1699:20 Unique 2.38, 2.66 A)
&rst
ixpk= 1699, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 48, 49,
igr2= 51, 52, 53,
&end
#
# 99 ILE HG1- 99 ILE QD1 4.50 (# 1700:20 Unique 2.38, 2.66 A)
&rst
ixpk= 1700, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 48, 49,
igr2= 51, 52, 53,
&end
#
# 152 ILE HG1+ 153 PRO HD+ 6.00 (# 1701:20 Unique 2.71, 4.87 A)
&rst
ixpk= 1701, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 899, 900,
igr2= 909, 910,
&end
#
# 102 GLY HN 0 AMB 20-1:1702 2.80 (# 1702:20 Single Ambig)
&rst
ixpk= 1702, nxpk= 20, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 85, 86, 85, 86,
&end
#
# 111 ALA HN 111 ALA MB 3.20 (# 1703:20 Unique 2.45, 2.99 A)
&rst
ixpk= 1703, nxpk= 20, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 239, 240, 241,
&end
#
# 111 ALA HA 111 ALA MB 2.80 (# 1704:20 Unique 2.45, 2.66 A)
&rst
ixpk= 1704, nxpk= 20, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 239, 240, 241,
&end
#
# 112 ARG HA 0 AMB 20-1:1705 4.50 (# 1705:20 Single Ambig)
&rst
ixpk= 1705, nxpk= 20, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 255, 256, 255, 256,
&end
#
# 113 PRO HD- 113 PRO HA 4.50 (# 1706:20 Unique 3.42, 3.78 A)
&rst
ixpk= 1706, nxpk= 20, iat= -1, 279, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 270, 271,
&end
#
# 113 PRO HB+ 113 PRO HA 2.80 (# 1707:20 Unique 2.29, 2.62 A)
&rst
ixpk= 1707, nxpk= 20, iat= -1, 279, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 276, 277,
&end
#
# 114 GLY HN 114 GLY HA- 4.50 (# 1708:20 Unique 2.28, 2.60 A)
&rst
ixpk= 1708, nxpk= 20, iat= 283, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 285, 286,
&end
#
# 114 GLY HN 114 GLY HA+ 4.50 (# 1709:20 Unique 2.28, 2.60 A)
&rst
ixpk= 1709, nxpk= 20, iat= 283, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 285, 286,
&end
#
# 115 SER HB- 115 SER HA 2.80 (# 1710:20 Unique 2.34, 2.64 A)
&rst
ixpk= 1710, nxpk= 20, iat= -1, 292, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 294, 295,
&end
#
# 115 SER HB+ 115 SER HA 2.80 (# 1711:20 Unique 2.34, 2.64 A)
&rst
ixpk= 1711, nxpk= 20, iat= -1, 292, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 294, 295,
&end
#
# 115 SER HA 115 SER HB+ 2.80 (# 1712:20 Unique 2.34, 2.64 A)
&rst
ixpk= 1712, nxpk= 20, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 294, 295,
&end
#
# 115 SER HA 115 SER HB- 2.80 (# 1713:20 Unique 2.34, 2.64 A)
&rst
ixpk= 1713, nxpk= 20, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 294, 295,
&end
#
# 118 ALA HN 115 SER HB+ 8.00 (# 1714:20 Unique 2.54, 3.66 A)
&rst
ixpk= 1714, nxpk= 20, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 294, 295,
&end
#
# 158 PHE HE 117 ALA HA 6.00 (# 1715:20 Unique 3.72, 6.26 A)
&rst
ixpk= 1715, nxpk= 20, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 991, 995,
&end
#
# 117 ALA HN 117 ALA MB 2.80 (# 1716:20 Unique 2.47, 2.87 A)
&rst
ixpk= 1716, nxpk= 20, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 327, 328, 329,
&end
#
# 118 ALA HN 0 AMB 20-1:1717 2.80 (# 1717:20 Single Ambig)
&rst
ixpk= 1717, nxpk= 20, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 337, 338, 339, 327, 328, 329,
&end
#
# 0 AMB 20-2:1718 118 ALA MB 2.80 (# 1718:20 Single Ambig)
&rst
ixpk= 1718, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 290, 343,
igr2= 337, 338, 339,
&end
#
# 117 ALA HA 117 ALA MB 2.80 (# 1719:20 Unique 2.45, 2.66 A)
&rst
ixpk= 1719, nxpk= 20, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 327, 328, 329,
&end
#
# 0 AMB 20-2:1720 118 ALA MB 2.80 (# 1720:20 Single Ambig)
&rst
ixpk= 1720, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 335, 285, 286,
igr2= 337, 338, 339,
&end
#
# 126 LYS HA 126 LYS HG- 4.50 (# 1721:20 Unique 2.36, 2.92 A)
&rst
ixpk= 1721, nxpk= 20, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 469, 470,
&end
#
# 120 LEU HN 120 LEU HB- 4.50 (# 1722:20 Unique 2.23, 2.83 A)
&rst
ixpk= 1722, nxpk= 20, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 369, 370,
&end
#
# 120 LEU HN 120 LEU HB+ 8.00 (# 1723:20 Unique 2.23, 2.83 A)
&rst
ixpk= 1723, nxpk= 20, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 369, 370,
&end
#
# 121 ARG HN 120 LEU HB- 6.00 (# 1724:20 Unique 2.50, 3.11 A)
&rst
ixpk= 1724, nxpk= 20, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 369, 370,
&end
#
# 158 PHE HE 120 LEU HB+ 8.00 (# 1725:20 Unique 2.38, 4.49 A)
&rst
ixpk= 1725, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 991, 995,
igr2= 369, 370,
&end
#
# 158 PHE HE 120 LEU HB- 8.00 (# 1726:20 Unique 2.38, 4.49 A)
&rst
ixpk= 1726, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 991, 995,
igr2= 369, 370,
&end
#
# 120 LEU MDX 120 LEU HB- 8.00 (# 1727:20 Unique 2.30, 3.29 A)
&rst
ixpk= 1727, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1= 374, 375, 376, 378, 379, 380,
igr2= 369, 370,
&end
#
# 120 LEU MDX 120 LEU HB+ 8.00 (# 1728:20 Unique 2.30, 3.29 A)
&rst
ixpk= 1728, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1= 374, 375, 376, 378, 379, 380,
igr2= 369, 370,
&end
#
# 0 AMB 20-2:1729 120 LEU HB- 6.00 (# 1729:20 Single Ambig)
&rst
ixpk= 1729, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1= 372, 859, 860, 308, 309,
igr2= 369, 370,
&end
#
# 0 AMB 20-2:1730 0 AMB 20-1:1730 8.00 (# 1730:20 Double Ambig)
&rst
ixpk= 1730, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=14.10, r4=14.60,
igr1= 372, 859, 860, 308, 309,
igr2= 369, 370, 369, 370, 369, 370,
&end
#
# 120 LEU HA 120 LEU HB+ 8.00 (# 1731:20 Unique 2.41, 2.80 A)
&rst
ixpk= 1731, nxpk= 20, iat= 367, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 369, 370,
&end
#
# 120 LEU HA 120 LEU HB- 8.00 (# 1732:20 Unique 2.41, 2.80 A)
&rst
ixpk= 1732, nxpk= 20, iat= 367, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 369, 370,
&end
#
# 117 ALA HA 120 LEU HB- 6.00 (# 1733:20 Unique 2.57, 3.38 A)
&rst
ixpk= 1733, nxpk= 20, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 369, 370,
&end
#
# 0 AMB 20-2:1734 120 LEU MDX 6.00 (# 1734:20 Single Ambig)
&rst
ixpk= 1734, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 841, 842, 841, 842, 909, 910,
igr2= 374, 375, 376, 378, 379, 380,
&end
#
# 0 AMB 20-2:1735 120 LEU MDX 8.00 (# 1735:20 Single Ambig)
&rst
ixpk= 1735, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1= 365, 323,
igr2= 374, 375, 376, 378, 379, 380,
&end
#
# 0 AMB 20-2:1736 121 ARG HA 6.00 (# 1736:20 Single Ambig)
&rst
ixpk= 1736, nxpk= 20, iat= -1, 386, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 443, 423, 462,
&end
#
# 121 ARG HB+ 121 ARG HG+ 4.50 (# 1737:20 Unique 2.26, 2.75 A)
&rst
ixpk= 1737, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 388, 389,
igr2= 391, 392,
&end
#
# 166 TYR HE 121 ARG HD- 6.00 (# 1738:20 Unique 2.25, 5.36 A)
&rst
ixpk= 1738, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1133,1138,
igr2= 394, 395,
&end
#
# 0 AMB 20-2:1739 121 ARG HD- 8.00 (# 1739:20 Single Ambig)
&rst
ixpk= 1739, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 408, 384,
igr2= 394, 395,
&end
#
# 0 AMB 20-2:1740 0 AMB 20-1:1740 8.00 (# 1740:20 Double Ambig)
&rst
ixpk= 1740, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1= 408, 384,
igr2= 394, 395, 394, 395,
&end
#
# 0 AMB 20-2:1741 121 ARG HD- 8.00 (# 1741:20 Single Ambig)
&rst
ixpk= 1741, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1=1131,1140, 991, 995,
igr2= 394, 395,
&end
#
# 165 MET HB- 121 ARG HD- 8.00 (# 1742:20 Unique 2.32, 4.72 A)
&rst
ixpk= 1742, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1110,1111,
igr2= 394, 395,
&end
#
# 120 LEU HB+ 121 ARG HD- 8.00 (# 1743:20 Unique 5.24, 7.54 A)
&rst
ixpk= 1743, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 369, 370,
igr2= 394, 395,
&end
#
# 125 ILE QD1 122 GLU HA 6.00 (# 1744:20 Unique 2.52, 5.61 A)
&rst
ixpk= 1744, nxpk= 20, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 456, 457, 458,
&end
#
# 144 ILE QG2 123 ALA MB 3.50 (# 1745:20 Unique 2.30, 4.20 A)
&rst
ixpk= 1745, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 772, 773, 774,
igr2= 427, 428, 429,
&end
#
# 147 GLU HB- 123 ALA MB 3.50 (# 1746:20 Unique 2.15, 3.96 A)
&rst
ixpk= 1746, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 826, 827,
igr2= 427, 428, 429,
&end
#
# 0 AMB 20-2:1747 123 ALA MB 3.20 (# 1747:20 Single Ambig)
&rst
ixpk= 1747, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 841, 842, 841, 842,
igr2= 427, 428, 429,
&end
#
# 120 LEU HA 123 ALA MB 3.20 (# 1748:20 Unique 2.31, 3.52 A)
&rst
ixpk= 1748, nxpk= 20, iat= 367, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 427, 428, 429,
&end
#
# 123 ALA HA 123 ALA MB 2.80 (# 1749:20 Unique 2.41, 2.66 A)
&rst
ixpk= 1749, nxpk= 20, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 427, 428, 429,
&end
#
# 144 ILE HA 123 ALA MB 3.50 (# 1750:20 Unique 2.13, 3.18 A)
&rst
ixpk= 1750, nxpk= 20, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 427, 428, 429,
&end
#
# 124 ALA HN 123 ALA MB 3.50 (# 1751:20 Unique 2.66, 3.52 A)
&rst
ixpk= 1751, nxpk= 20, iat= 433, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 427, 428, 429,
&end
#
# 127 THR HB 124 ALA HA 4.50 (# 1752:20 Unique 2.51, 2.73 A)
&rst
ixpk= 1752, nxpk= 20, iat= 488, 435, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 144 ILE HA 124 ALA HA 6.00 (# 1753:20 Unique 4.01, 4.20 A)
&rst
ixpk= 1753, nxpk= 20, iat= 768, 435, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:1754 124 ALA MB 6.00 (# 1754:20 Single Ambig)
&rst
ixpk= 1754, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 384, 408, 517,
igr2= 437, 438, 439,
&end
#
# 144 ILE HG1- 124 ALA MB 4.50 (# 1755:20 Unique 2.40, 4.04 A)
&rst
ixpk= 1755, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 776, 777,
igr2= 437, 438, 439,
&end
#
# 152 ILE QD1 124 ALA MB 6.00 (# 1756:20 Unique 4.66, 6.66 A)
&rst
ixpk= 1756, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 902, 903, 904,
igr2= 437, 438, 439,
&end
#
# 0 AMB 20-2:1757 125 ILE HA 8.00 (# 1757:20 Single Ambig)
&rst
ixpk= 1757, nxpk= 20, iat= -1, 445, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 524, 525,1422,1423,
&end
#
# 166 TYR HD 125 ILE QD1 8.00 (# 1758:20 Unique 2.50, 4.68 A)
&rst
ixpk= 1758, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=1131,1140,
igr2= 456, 457, 458,
&end
#
# 166 TYR HB+ 125 ILE QD1 8.00 (# 1759:20 Unique 2.48, 4.57 A)
&rst
ixpk= 1759, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=1127,1128,
igr2= 456, 457, 458,
&end
#
# 166 TYR HB- 125 ILE QD1 8.00 (# 1760:20 Unique 2.48, 4.57 A)
&rst
ixpk= 1760, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=1127,1128,
igr2= 456, 457, 458,
&end
#
# 124 ALA HN 125 ILE HB 6.00 (# 1761:20 Unique 4.77, 4.95 A)
&rst
ixpk= 1761, nxpk= 20, iat= 433, 447, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 126 LYS HA 125 ILE HB 8.00 (# 1762:20 Unique 4.63, 4.76 A)
&rst
ixpk= 1762, nxpk= 20, iat= 464, 447, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 124 ALA MB 125 ILE HB 6.00 (# 1763:20 Unique 4.59, 5.66 A)
&rst
ixpk= 1763, nxpk= 20, iat= -1, 447, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 437, 438, 439,
&end
#
# 125 ILE HA 125 ILE HG1- 6.00 (# 1764:20 Unique 2.47, 3.14 A)
&rst
ixpk= 1764, nxpk= 20, iat= 445, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 453, 454,
&end
#
# 150 LEU HA 150 LEU MDY 8.00 (# 1765:20 Unique 2.22, 4.14 A)
&rst
ixpk= 1765, nxpk= 20, iat= 857, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr2= 864, 865, 866, 868, 869, 870,
&end
#
# 0 AMB 20-2:1766 150 LEU MDY 8.00 (# 1766:20 Single Ambig)
&rst
ixpk= 1766, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1= 365, 323,
igr2= 864, 865, 866, 868, 869, 870,
&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= 9.31, r4= 9.81,
igr1= 693, 498,
igr2= 700, 507, 508, 509, 511, 512, 513,
&end
#
# 125 ILE QD1 125 ILE QG2 2.80 (# 1768:20 Unique 2.24, 3.83 A)
&rst
ixpk= 1768, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 456, 457, 458,
igr2= 449, 450, 451,
&end
#
# 126 LYS HN 126 LYS HG- 6.00 (# 1769:20 Unique 2.37, 3.64 A)
&rst
ixpk= 1769, nxpk= 20, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 469, 470,
&end
#
# 126 LYS HE+ 126 LYS HG- 3.50 (# 1770:20 Unique 2.39, 3.14 A)
&rst
ixpk= 1770, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 475, 476,
igr2= 469, 470,
&end
#
# 0 AMB 20-2:1771 156 THR HA 8.00 (# 1771:20 Single Ambig)
&rst
ixpk= 1771, nxpk= 20, iat= -1, 955, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1008,1009,1224,1225,
&end
#
# 0 AMB 20-2:1772 156 THR HA 6.00 (# 1772:20 Single Ambig)
&rst
ixpk= 1772, nxpk= 20, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 943, 944, 943, 944,
&end
#
# 127 THR HB 127 THR HA 3.50 (# 1773:20 Unique 3.03, 3.05 A)
&rst
ixpk= 1773, nxpk= 20, iat= 488, 486, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 156 THR HB 156 THR HA 4.50 (# 1774:20 Unique 2.97, 2.99 A)
&rst
ixpk= 1774, nxpk= 20, iat= 957, 955, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 128 LEU HN 128 LEU MDX 8.00 (# 1775:20 Unique 3.53, 4.46 A)
&rst
ixpk= 1775, nxpk= 20, iat= 498, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr2= 507, 508, 509, 511, 512, 513,
&end
#
# 128 LEU HA 128 LEU HB+ 8.00 (# 1776:20 Unique 2.51, 2.80 A)
&rst
ixpk= 1776, nxpk= 20, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 502, 503,
&end
#
# 128 LEU HN 128 LEU HB+ 8.00 (# 1777:20 Unique 2.28, 2.95 A)
&rst
ixpk= 1777, nxpk= 20, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 502, 503,
&end
#
# 179 LEU HB- 128 LEU HB+ 8.00 (# 1778:20 Unique 2.23, 3.24 A)
&rst
ixpk= 1778, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1360,1361,
igr2= 502, 503,
&end
#
# 0 AMB 20-2:1779 0 AMB 20-1:1779 4.50 (# 1779:20 Double Ambig)
&rst
ixpk= 1779, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1365,1366,1367,1369,1370,1371, 507, 508, 509, 511,
512, 513,
igr2= 502, 503, 502, 503,
&end
#
# 128 LEU HA 128 LEU HB- 6.00 (# 1780:20 Unique 2.51, 2.80 A)
&rst
ixpk= 1780, nxpk= 20, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 502, 503,
&end
#
# 152 ILE HG1+ 152 ILE HA 4.50 (# 1781:20 Unique 2.34, 2.83 A)
&rst
ixpk= 1781, nxpk= 20, iat= -1, 891, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 899, 900,
&end
#
# 0 AMB 20-2:1782 131 HIS HA 8.00 (# 1782:20 Single Ambig)
&rst
ixpk= 1782, nxpk= 20, iat= -1, 565, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 563, 590, 591,
&end
#
# 0 AMB 20-2:1783 131 HIS HA 8.00 (# 1783:20 Single Ambig)
&rst
ixpk= 1783, nxpk= 20, iat= -1, 565, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 577, 539,
&end
#
# 131 HIS HB- 131 HIS HA 6.00 (# 1784:20 Unique 2.42, 2.77 A)
&rst
ixpk= 1784, nxpk= 20, iat= -1, 565, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 567, 568,
&end
#
# 128 LEU HA 131 HIS HB- 6.00 (# 1785:20 Unique 3.07, 4.26 A)
&rst
ixpk= 1785, nxpk= 20, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 567, 568,
&end
#
# 135 ILE QD1 131 HIS HB- 8.00 (# 1786:20 Unique 2.66, 4.64 A)
&rst
ixpk= 1786, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 628, 629, 630,
igr2= 567, 568,
&end
#
# 133 ALA HN 132 ASN HB- 6.00 (# 1787:20 Unique 2.53, 3.75 A)
&rst
ixpk= 1787, nxpk= 20, iat= 595, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 585, 586,
&end
#
# 135 ILE HN 134 ALA MB 3.50 (# 1788:20 Unique 2.61, 3.65 A)
&rst
ixpk= 1788, nxpk= 20, iat= 615, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 609, 610, 611,
&end
#
# 134 ALA HN 134 ALA MB 2.80 (# 1789:20 Unique 2.47, 2.88 A)
&rst
ixpk= 1789, nxpk= 20, iat= 605, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 609, 610, 611,
&end
#
# 177 TYR HN 134 ALA MB 6.00 (# 1790:20 Unique 3.55, 5.35 A)
&rst
ixpk= 1790, nxpk= 20, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 609, 610, 611,
&end
#
# 134 ALA HA 134 ALA MB 2.80 (# 1791:20 Unique 2.44, 2.66 A)
&rst
ixpk= 1791, nxpk= 20, iat= 607, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 609, 610, 611,
&end
#
# 135 ILE HA 134 ALA MB 6.00 (# 1792:20 Unique 4.51, 5.17 A)
&rst
ixpk= 1792, nxpk= 20, iat= 617, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 609, 610, 611,
&end
#
# 0 AMB 20-2:1793 134 ALA MB 3.50 (# 1793:20 Single Ambig)
&rst
ixpk= 1793, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1306,1307,1303,1304,
igr2= 609, 610, 611,
&end
#
# 178 ILE QD1 134 ALA MB 3.50 (# 1794:20 Unique 2.36, 4.51 A)
&rst
ixpk= 1794, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1350,1351,1352,
igr2= 609, 610, 611,
&end
#
# 135 ILE QD1 135 ILE QG2 3.20 (# 1795:20 Unique 2.24, 3.91 A)
&rst
ixpk= 1795, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 628, 629, 630,
igr2= 621, 622, 623,
&end
#
# 135 ILE HG1- 135 ILE QG2 3.50 (# 1796:20 Unique 2.29, 3.49 A)
&rst
ixpk= 1796, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 625, 626,
igr2= 621, 622, 623,
&end
#
# 0 AMB 20-2:1797 135 ILE QG2 2.80 (# 1797:20 Single Ambig)
&rst
ixpk= 1797, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 697, 698, 619,
igr2= 621, 622, 623,
&end
#
# 140 LEU HB- 135 ILE QG2 6.00 (# 1798:20 Unique 2.35, 4.05 A)
&rst
ixpk= 1798, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 697, 698,
igr2= 621, 622, 623,
&end
#
# 0 AMB 20-2:1799 135 ILE QG2 6.00 (# 1799:20 Single Ambig)
&rst
ixpk= 1799, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 682, 683, 682, 683,
igr2= 621, 622, 623,
&end
#
# 177 TYR HB+ 135 ILE QG2 4.50 (# 1800:20 Unique 2.43, 3.99 A)
&rst
ixpk= 1800, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1320,1321,
igr2= 621, 622, 623,
&end
#
# 0 AMB 20-2:1801 135 ILE QG2 6.00 (# 1801:20 Single Ambig)
&rst
ixpk= 1801, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 500, 695, 658,
igr2= 621, 622, 623,
&end
#
# 134 ALA HA 135 ILE QG2 6.00 (# 1802:20 Unique 3.48, 4.65 A)
&rst
ixpk= 1802, nxpk= 20, iat= 607, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 621, 622, 623,
&end
#
# 135 ILE HA 135 ILE QG2 4.50 (# 1803:20 Unique 3.75, 3.97 A)
&rst
ixpk= 1803, nxpk= 20, iat= 617, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 621, 622, 623,
&end
#
# 177 TYR HE 137 SER HA 4.50 (# 1804:20 Unique 2.52, 5.20 A)
&rst
ixpk= 1804, nxpk= 20, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1326,1331,
&end
#
# 137 SER HN 137 SER HA 3.20 (# 1805:20 Unique 2.74, 2.79 A)
&rst
ixpk= 1805, nxpk= 20, iat= 656, 658, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 0 AMB 20-2:1806 138 SER HA 2.80 (# 1806:20 Single Ambig)
&rst
ixpk= 1806, nxpk= 20, iat= -1, 669, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 671, 672, 671, 672,
&end
#
# 0 AMB 20-2:1807 139 GLU HA 4.50 (# 1807:20 Single Ambig)
&rst
ixpk= 1807, nxpk= 20, iat= -1, 680, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 671, 672, 671, 672, 695,
&end
#
# 0 AMB 20-2:1808 140 LEU HB- 8.00 (# 1808:20 Single Ambig)
&rst
ixpk= 1808, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 658, 695,
igr2= 697, 698,
&end
#
# 140 LEU HA 140 LEU HB+ 6.00 (# 1809:20 Unique 2.41, 2.73 A)
&rst
ixpk= 1809, nxpk= 20, iat= 695, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 697, 698,
&end
#
# 140 LEU HN 140 LEU HB- 8.00 (# 1810:20 Unique 2.29, 2.49 A)
&rst
ixpk= 1810, nxpk= 20, iat= 693, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 697, 698,
&end
#
# 140 LEU HN 140 LEU HB+ 8.00 (# 1811:20 Unique 2.29, 2.49 A)
&rst
ixpk= 1811, nxpk= 20, iat= 693, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 697, 698,
&end
#
# 0 AMB 20-2:1812 140 LEU MDX 8.00 (# 1812:20 Single Ambig)
&rst
ixpk= 1812, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1= 693, 498,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 0 AMB 20-2:1813 141 GLN HA 8.00 (# 1813:20 Single Ambig)
&rst
ixpk= 1813, nxpk= 20, iat= -1, 714, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04,
igr1= 895, 896, 897, 374, 375, 376, 378, 379, 380,
&end
#
# 140 LEU MDX 141 GLN HA 8.00 (# 1814:20 Unique 4.77, 6.01 A)
&rst
ixpk= 1814, nxpk= 20, iat= -1, 714, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 702, 703, 704, 706, 707, 708,
&end
#
# 0 AMB 20-2:1815 141 GLN HA 6.00 (# 1815:20 Single Ambig)
&rst
ixpk= 1815, nxpk= 20, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 776, 777, 374, 375, 376, 378, 379, 380,
&end
#
# 141 GLN HE2- 141 GLN HB+ 6.00 (# 1816:20 Unique 4.25, 4.60 A)
&rst
ixpk= 1816, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 724, 725,
igr2= 716, 717,
&end
#
# 0 AMB 20-2:1817 141 GLN HB- 4.50 (# 1817:20 Single Ambig)
&rst
ixpk= 1817, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 943, 944, 943, 944,
igr2= 716, 717,
&end
#
# 152 ILE HB 141 GLN HB- 6.00 (# 1818:20 Unique 4.62, 5.41 A)
&rst
ixpk= 1818, nxpk= 20, iat= 893, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 716, 717,
&end
#
# 144 ILE HB 141 GLN HB- 6.00 (# 1819:20 Unique 4.53, 4.94 A)
&rst
ixpk= 1819, nxpk= 20, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 716, 717,
&end
#
# 152 ILE QD1 141 GLN HB+ 6.00 (# 1820:20 Unique 2.46, 4.19 A)
&rst
ixpk= 1820, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 902, 903, 904,
igr2= 716, 717,
&end
#
# 0 AMB 20-2:1821 142 LYS HA 6.00 (# 1821:20 Single Ambig)
&rst
ixpk= 1821, nxpk= 20, iat= -1, 731, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 742, 743, 813, 814,
&end
#
# 0 AMB 20-2:1822 0 AMB 20-1:1822 2.80 (# 1822:20 Double Ambig)
&rst
ixpk= 1822, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 758, 759, 758, 759, 758, 759, 758, 759,
igr2= 733, 734, 733, 734, 804, 805, 804, 805,
&end
#
# 0 AMB 20-2:1823 0 AMB 20-1:1823 2.80 (# 1823:20 Double Ambig)
&rst
ixpk= 1823, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 733, 734, 733, 734,
igr2= 736, 737, 736, 737,
&end
#
# 0 AMB 20-2:1824 145 GLU HA 3.50 (# 1824:20 Single Ambig)
&rst
ixpk= 1824, nxpk= 20, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 848, 800,
&end
#
# 0 AMB 20-2:1825 0 AMB 20-1:1825 2.80 (# 1825:20 Double Ambig)
&rst
ixpk= 1825, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 755, 756, 755, 756,
igr2= 758, 759, 758, 759,
&end
#
# 144 ILE HG1+ 144 ILE HB 4.50 (# 1826:20 Unique 2.48, 2.80 A)
&rst
ixpk= 1826, nxpk= 20, iat= -1, 770, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 776, 777,
&end
#
# 140 LEU MDX 144 ILE HG1+ 6.00 (# 1827:20 Unique 2.57, 5.19 A)
&rst
ixpk= 1827, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 702, 703, 704, 706, 707, 708,
igr2= 776, 777,
&end
#
# 0 AMB 20-2:1828 0 AMB 20-1:1828 8.00 (# 1828:20 Double Ambig)
&rst
ixpk= 1828, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.70, r4=13.20,
igr1= 494, 490, 491, 492,
igr2= 776, 777, 776, 777,
&end
#
# 152 ILE QD1 144 ILE QD1 3.50 (# 1829:20 Unique 2.47, 3.82 A)
&rst
ixpk= 1829, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 902, 903, 904,
igr2= 779, 780, 781,
&end
#
# 152 ILE HG1+ 144 ILE QD1 6.00 (# 1830:20 Unique 3.76, 5.20 A)
&rst
ixpk= 1830, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 899, 900,
igr2= 779, 780, 781,
&end
#
# 152 ILE QD1 144 ILE QG2 3.20 (# 1831:20 Unique 2.27, 4.15 A)
&rst
ixpk= 1831, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 902, 903, 904,
igr2= 772, 773, 774,
&end
#
# 120 LEU MDX 144 ILE QG2 3.20 (# 1832:20 Unique 2.30, 4.47 A)
&rst
ixpk= 1832, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 374, 375, 376, 378, 379, 380,
igr2= 772, 773, 774,
&end
#
# 152 ILE HG1+ 144 ILE QG2 4.50 (# 1833:20 Unique 2.57, 3.70 A)
&rst
ixpk= 1833, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 899, 900,
igr2= 772, 773, 774,
&end
#
# 144 ILE QG2 145 GLU HA 4.50 (# 1834:20 Unique 3.08, 4.24 A)
&rst
ixpk= 1834, nxpk= 20, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 772, 773, 774,
&end
#
# 145 GLU HB+ 145 GLU HA 2.80 (# 1835:20 Unique 2.46, 2.76 A)
&rst
ixpk= 1835, nxpk= 20, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 789, 790,
&end
#
# 146 LYS HN 145 GLU HB+ 4.50 (# 1836:20 Unique 2.74, 3.36 A)
&rst
ixpk= 1836, nxpk= 20, iat= 800, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 789, 790,
&end
#
# 0 AMB 20-2:1837 0 AMB 20-1:1837 8.00 (# 1837:20 Double Ambig)
&rst
ixpk= 1837, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1= 724, 725, 874,
igr2= 792, 793, 792, 793,
&end
#
# 145 GLU HB+ 145 GLU HG- 3.50 (# 1838:20 Unique 2.44, 2.78 A)
&rst
ixpk= 1838, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 789, 790,
igr2= 792, 793,
&end
#
# 0 AMB 20-2:1839 145 GLU HG- 3.20 (# 1839:20 Single Ambig)
&rst
ixpk= 1839, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 789, 790, 881, 882,
igr2= 792, 793,
&end
#
# 0 AMB 20-2:1840 0 AMB 20-1:1840 2.80 (# 1840:20 Double Ambig)
&rst
ixpk= 1840, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 733, 734, 733, 734, 804, 805, 804, 805, 804, 805,
igr2= 736, 737, 807, 808, 807, 808,
&end
#
# 0 AMB 20-2:1841 146 LYS HG- 2.80 (# 1841:20 Single Ambig)
&rst
ixpk= 1841, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 810, 811, 810, 811, 739, 740,
igr2= 807, 808,
&end
#
# 123 ALA MB 147 GLU HB+ 3.50 (# 1842:20 Unique 2.15, 3.96 A)
&rst
ixpk= 1842, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 427, 428, 429,
igr2= 826, 827,
&end
#
# 0 AMB 20-2:1843 0 AMB 20-1:1843 2.80 (# 1843:20 Double Ambig)
&rst
ixpk= 1843, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 826, 827, 804, 805, 804, 805,
igr2= 829, 830, 829, 830, 829, 830,
&end
#
# 0 AMB 20-2:1844 147 GLU HG- 2.80 (# 1844:20 Single Ambig)
&rst
ixpk= 1844, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 826, 827, 804, 805, 804, 805,
igr2= 829, 830,
&end
#
# 0 AMB 20-2:1845 148 SER HA 2.80 (# 1845:20 Single Ambig)
&rst
ixpk= 1845, nxpk= 20, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 841, 842, 841, 842,
&end
#
# 148 SER HA 0 AMB 20-1:1846 2.80 (# 1846:20 Single Ambig)
&rst
ixpk= 1846, nxpk= 20, iat= 839, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 841, 842, 841, 842,
&end
#
# 0 AMB 20-2:1847 0 AMB 20-1:1847 3.50 (# 1847:20 Double Ambig)
&rst
ixpk= 1847, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 350, 351, 862,
igr2= 841, 842, 841, 842, 841, 842,
&end
#
# 120 LEU MDY 0 AMB 20-1:1848 6.00 (# 1848:20 Single Ambig)
&rst
ixpk= 1848, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 374, 375, 376, 378, 379, 380,
igr2= 841, 842, 841, 842,
&end
#
# 0 AMB 20-2:1849 0 AMB 20-1:1849 4.50 (# 1849:20 Double Ambig)
&rst
ixpk= 1849, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
igr1= 862, 641, 642,1275,1276,1303,1304,1215,1216,
igr2= 850, 851,1294,1295,1294,1295,1294,1295,1294,1295,
&end
#
# 0 AMB 20-2:1850 0 AMB 20-1:1850 8.00 (# 1850:20 Double Ambig)
&rst
ixpk= 1850, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.32, r4=16.82,
igr1=1306,1307, 947, 948, 949,1303,1304, 804, 805,
igr2=1294,1295,1294,1295,1294,1295, 850, 851,
&end
#
# 0 AMB 20-2:1851 0 AMB 20-1:1851 6.00 (# 1851:20 Double Ambig)
&rst
ixpk= 1851, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1272,1273,1215,1216,
igr2=1294,1295,1294,1295,
&end
#
# 0 AMB 20-2:1852 175 GLY HA- 6.00 (# 1852:20 Single Ambig)
&rst
ixpk= 1852, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 644, 645, 644, 645,1272,1273,1272,1273,
igr2=1294,1295,
&end
#
# 0 AMB 20-2:1853 175 GLY HA- 6.00 (# 1853:20 Single Ambig)
&rst
ixpk= 1853, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 641, 642,1275,1276,1303,1304,
igr2=1294,1295,
&end
#
# 0 AMB 20-2:1854 0 AMB 20-1:1854 6.00 (# 1854:20 Double Ambig)
&rst
ixpk= 1854, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 857, 636,
igr2= 850, 851,1294,1295,
&end
#
# 150 LEU HA 149 GLY HA- 6.00 (# 1855:20 Unique 4.47, 4.66 A)
&rst
ixpk= 1855, nxpk= 20, iat= 857, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 850, 851,
&end
#
# 0 AMB 20-2:1856 175 GLY HA- 8.00 (# 1856:20 Single Ambig)
&rst
ixpk= 1856, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1292, 656,
igr2=1294,1295,
&end
#
# 150 LEU HN 150 LEU HA 8.00 (# 1857:20 Unique 2.95, 2.98 A)
&rst
ixpk= 1857, nxpk= 20, iat= 855, 857, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 150 LEU HB+ 150 LEU HA 8.00 (# 1858:20 Unique 2.34, 2.68 A)
&rst
ixpk= 1858, nxpk= 20, iat= -1, 857, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 859, 860,
&end
#
# 150 LEU HA 150 LEU HB+ 8.00 (# 1859:20 Unique 2.34, 2.68 A)
&rst
ixpk= 1859, nxpk= 20, iat= 857, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 859, 860,
&end
#
# 150 LEU HN 150 LEU HB+ 6.00 (# 1860:20 Unique 2.43, 3.28 A)
&rst
ixpk= 1860, nxpk= 20, iat= 855, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 859, 860,
&end
#
# 151 GLU HN 150 LEU MDY 8.00 (# 1861:20 Unique 3.49, 5.12 A)
&rst
ixpk= 1861, nxpk= 20, iat= 874, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr2= 864, 865, 866, 868, 869, 870,
&end
#
# 150 LEU HN 150 LEU MDY 8.00 (# 1862:20 Unique 2.62, 4.79 A)
&rst
ixpk= 1862, nxpk= 20, iat= 855, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr2= 864, 865, 866, 868, 869, 870,
&end
#
# 150 LEU HN 150 LEU MDX 6.00 (# 1863:20 Unique 2.62, 4.79 A)
&rst
ixpk= 1863, nxpk= 20, iat= 855, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 864, 865, 866, 868, 869, 870,
&end
#
# 152 ILE HG1+ 151 GLU HA 6.00 (# 1864:20 Unique 3.60, 4.44 A)
&rst
ixpk= 1864, nxpk= 20, iat= -1, 876, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 899, 900,
&end
#
# 0 AMB 20-2:1865 0 AMB 20-1:1865 2.80 (# 1865:20 Double Ambig)
&rst
ixpk= 1865, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 881, 882, 881, 882,
igr2= 878, 879, 878, 879,
&end
#
# 0 AMB 20-2:1866 0 AMB 20-1:1866 2.80 (# 1866:20 Double Ambig)
&rst
ixpk= 1866, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 878, 879, 878, 879,1193,1194,1193,1194,
igr2= 881, 882, 881, 882,1382,1383,
&end
#
# 0 AMB 20-2:1867 151 GLU HG- 2.80 (# 1867:20 Single Ambig)
&rst
ixpk= 1867, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 878, 879, 878, 879,
igr2= 881, 882,
&end
#
# 152 ILE HG1- 152 ILE HB 3.50 (# 1868:20 Unique 2.43, 2.76 A)
&rst
ixpk= 1868, nxpk= 20, iat= -1, 893, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 899, 900,
&end
#
# 120 LEU MDY 152 ILE HB 8.00 (# 1869:20 Unique 4.48, 5.78 A)
&rst
ixpk= 1869, nxpk= 20, iat= -1, 893, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 374, 375, 376, 378, 379, 380,
&end
#
# 152 ILE HN 152 ILE HG1+ 8.00 (# 1870:20 Unique 2.17, 2.92 A)
&rst
ixpk= 1870, nxpk= 20, iat= 889, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 899, 900,
&end
#
# 152 ILE HG1+ 152 ILE QD1 2.80 (# 1871:20 Unique 2.33, 2.65 A)
&rst
ixpk= 1871, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 899, 900,
igr2= 902, 903, 904,
&end
#
# 159 MET HN 152 ILE QG2 8.00 (# 1872:20 Unique 4.56, 5.35 A)
&rst
ixpk= 1872, nxpk= 20, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr2= 895, 896, 897,
&end
#
# 153 PRO HD- 153 PRO HA 4.50 (# 1873:20 Unique 3.44, 3.76 A)
&rst
ixpk= 1873, nxpk= 20, iat= -1, 918, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 909, 910,
&end
#
# 153 PRO HD+ 153 PRO HA 4.50 (# 1874:20 Unique 3.44, 3.76 A)
&rst
ixpk= 1874, nxpk= 20, iat= -1, 918, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 909, 910,
&end
#
# 152 ILE HB 153 PRO HA 8.00 (# 1875:20 Unique 5.26, 5.40 A)
&rst
ixpk= 1875, nxpk= 20, iat= 893, 918, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 157 THR HN 154 ASN HB- 8.00 (# 1876:20 Unique 3.17, 3.99 A)
&rst
ixpk= 1876, nxpk= 20, iat= 967, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 926, 927,
&end
#
# 0 AMB 20-2:1877 154 ASN HB- 8.00 (# 1877:20 Single Ambig)
&rst
ixpk= 1877, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 918, 983,
igr2= 926, 927,
&end
#
# 0 AMB 20-2:1878 0 AMB 20-1:1878 3.20 (# 1878:20 Double Ambig)
&rst
ixpk= 1878, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 943, 944, 943, 944, 943, 944,
igr2= 940, 941, 940, 941, 940, 941,
&end
#
# 0 AMB 20-2:1879 0 AMB 20-1:1879 8.00 (# 1879:20 Double Ambig)
&rst
ixpk= 1879, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1= 669,1003,
igr2= 943, 944, 943, 944, 943, 944,
&end
#
# 156 THR HN 0 AMB 20-1:1880 8.00 (# 1880:20 Single Ambig)
&rst
ixpk= 1880, nxpk= 20, iat= 953, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr2= 943, 944, 943, 944,
&end
#
# 0 AMB 20-2:1881 0 AMB 20-1:1881 4.50 (# 1881:20 Double Ambig)
&rst
ixpk= 1881, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1008,1009,1008,1009,
igr2= 943, 944, 943, 944,
&end
#
# 140 LEU HG 0 AMB 20-1:1882 6.00 (# 1882:20 Single Ambig)
&rst
ixpk= 1882, nxpk= 20, iat= 700, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 943, 944, 943, 944,
&end
#
# 159 MET HN 156 THR HA 6.00 (# 1883:20 Unique 3.56, 3.73 A)
&rst
ixpk= 1883, nxpk= 20, iat=1001, 955, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 154 ASN HD2- 156 THR HB 8.00 (# 1884:20 Unique 3.77, 4.84 A)
&rst
ixpk= 1884, nxpk= 20, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 931, 932,
&end
#
# 0 AMB 20-2:1885 0 AMB 20-1:1885 8.00 (# 1885:20 Double Ambig)
&rst
ixpk= 1885, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1= 931, 932,1035, 563,
igr2= 971, 488,
&end
#
# 154 ASN HD2+ 156 THR HB 6.00 (# 1886:20 Unique 3.77, 4.84 A)
&rst
ixpk= 1886, nxpk= 20, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 931, 932,
&end
#
# 156 THR HA 156 THR HB 3.50 (# 1887:20 Unique 2.97, 2.99 A)
&rst
ixpk= 1887, nxpk= 20, iat= 955, 957, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 160 GLN HG+ 156 THR HB 6.00 (# 1888:20 Unique 4.81, 6.06 A)
&rst
ixpk= 1888, nxpk= 20, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1025,1026,
&end
#
# 0 AMB 20-2:1889 156 THR HB 6.00 (# 1889:20 Single Ambig)
&rst
ixpk= 1889, nxpk= 20, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 940, 941, 940, 941,1005,1006,
&end
#
# 0 AMB 20-2:1890 157 THR HA 8.00 (# 1890:20 Single Ambig)
&rst
ixpk= 1890, nxpk= 20, iat= -1, 969, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 953,1065,
&end
#
# 156 THR HB 157 THR HA 6.00 (# 1891:20 Unique 4.11, 4.22 A)
&rst
ixpk= 1891, nxpk= 20, iat= 957, 969, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:1892 157 THR HA 6.00 (# 1892:20 Single Ambig)
&rst
ixpk= 1892, nxpk= 20, iat= -1, 969, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 926, 927,1008,1009,
&end
#
# 158 PHE HB- 157 THR HB 8.00 (# 1893:20 Unique 4.32, 4.74 A)
&rst
ixpk= 1893, nxpk= 20, iat= -1, 971, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 985, 986,
&end
#
# 158 PHE HB+ 157 THR HB 8.00 (# 1894:20 Unique 4.32, 4.74 A)
&rst
ixpk= 1894, nxpk= 20, iat= -1, 971, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 985, 986,
&end
#
# 159 MET HN 158 PHE HB- 6.00 (# 1895:20 Unique 2.79, 3.51 A)
&rst
ixpk= 1895, nxpk= 20, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 985, 986,
&end
#
# 162 LEU HB+ 159 MET HA 4.50 (# 1896:20 Unique 2.20, 2.91 A)
&rst
ixpk= 1896, nxpk= 20, iat= -1,1003, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1050,1051,
&end
#
# 159 MET HB- 159 MET HA 3.50 (# 1897:20 Unique 2.45, 2.76 A)
&rst
ixpk= 1897, nxpk= 20, iat= -1,1003, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1005,1006,
&end
#
# 162 LEU HN 160 GLN HB- 6.00 (# 1898:20 Unique 5.12, 5.49 A)
&rst
ixpk= 1898, nxpk= 20, iat=1046, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1022,1023,
&end
#
# 0 AMB 20-2:1899 0 AMB 20-1:1899 8.00 (# 1899:20 Double Ambig)
&rst
ixpk= 1899, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1= 700,1053,
igr2=1008,1009,1008,1009,
&end
#
# 0 AMB 20-2:1900 0 AMB 20-1:1900 6.00 (# 1900:20 Double Ambig)
&rst
ixpk= 1900, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 943, 944, 943, 944,
igr2=1008,1009,1008,1009,
&end
#
# 159 MET HA 159 MET HG+ 6.00 (# 1901:20 Unique 2.31, 3.09 A)
&rst
ixpk= 1901, nxpk= 20, iat=1003, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1008,1009,
&end
#
# 177 TYR HE 159 MET HG+ 8.00 (# 1902:20 Unique 2.76, 5.02 A)
&rst
ixpk= 1902, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1326,1331,
igr2=1008,1009,
&end
#
# 164 LYS HN 160 GLN HA 6.00 (# 1903:20 Unique 3.97, 4.06 A)
&rst
ixpk= 1903, nxpk= 20, iat=1084,1020, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 160 GLN HE2+ 160 GLN HB- 8.00 (# 1904:20 Unique 2.16, 4.26 A)
&rst
ixpk= 1904, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1030,1031,
igr2=1022,1023,
&end
#
# 160 GLN HG- 160 GLN HB- 2.80 (# 1905:20 Unique 2.31, 2.70 A)
&rst
ixpk= 1905, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1025,1026,
igr2=1022,1023,
&end
#
# 160 GLN HG- 160 GLN HB+ 2.80 (# 1906:20 Unique 2.31, 2.70 A)
&rst
ixpk= 1906, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1025,1026,
igr2=1022,1023,
&end
#
# 160 GLN HB+ 160 GLN HG+ 2.80 (# 1907:20 Unique 2.31, 2.70 A)
&rst
ixpk= 1907, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1022,1023,
igr2=1025,1026,
&end
#
# 160 GLN HB- 160 GLN HG+ 2.80 (# 1908:20 Unique 2.31, 2.70 A)
&rst
ixpk= 1908, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1022,1023,
igr2=1025,1026,
&end
#
# 160 GLN HB- 160 GLN HG- 2.80 (# 1909:20 Unique 2.31, 2.70 A)
&rst
ixpk= 1909, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1022,1023,
igr2=1025,1026,
&end
#
# 160 GLN HB+ 160 GLN HG- 2.80 (# 1910:20 Unique 2.31, 2.70 A)
&rst
ixpk= 1910, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1022,1023,
igr2=1025,1026,
&end
#
# 163 ILE QD1 160 GLN HG+ 6.00 (# 1911:20 Unique 3.73, 6.00 A)
&rst
ixpk= 1911, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1078,1079,1080,
igr2=1025,1026,
&end
#
# 165 MET HN 161 SER HA 8.00 (# 1912:20 Unique 3.85, 3.96 A)
&rst
ixpk= 1912, nxpk= 20, iat=1106,1037, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 20-2:1913 161 SER HA 2.80 (# 1913:20 Single Ambig)
&rst
ixpk= 1913, nxpk= 20, iat= -1,1037, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1039,1040,1039,1040,
&end
#
# 0 AMB 20-2:1914 0 AMB 20-1:1914 8.00 (# 1914:20 Double Ambig)
&rst
ixpk= 1914, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1=1018, 967,
igr2=1039,1040,1039,1040,
&end
#
# 158 PHE HB- 0 AMB 20-1:1915 8.00 (# 1915:20 Single Ambig)
&rst
ixpk= 1915, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1= 985, 986,
igr2=1039,1040,1039,1040,
&end
#
# 160 GLN HB- 0 AMB 20-1:1916 8.00 (# 1916:20 Single Ambig)
&rst
ixpk= 1916, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1=1022,1023,
igr2=1039,1040,1039,1040,
&end
#
# 0 AMB 20-2:1917 137 SER HA 6.00 (# 1917:20 Single Ambig)
&rst
ixpk= 1917, nxpk= 20, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 716, 717,1306,1307, 719, 720,
&end
#
# 157 THR MG2 161 SER HB- 8.00 (# 1918:20 Unique 3.60, 5.46 A)
&rst
ixpk= 1918, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 973, 974, 975,
igr2=1039,1040,
&end
#
# 157 THR MG2 161 SER HB+ 8.00 (# 1919:20 Unique 3.60, 5.46 A)
&rst
ixpk= 1919, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 973, 974, 975,
igr2=1039,1040,
&end
#
# 163 ILE HN 162 LEU HA 8.00 (# 1920:20 Unique 3.60, 3.61 A)
&rst
ixpk= 1920, nxpk= 20, iat=1065,1048, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 166 TYR HD 162 LEU HA 6.00 (# 1921:20 Unique 2.26, 5.39 A)
&rst
ixpk= 1921, nxpk= 20, iat= -1,1048, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1131,1140,
&end
#
# 165 MET HN 162 LEU HA 8.00 (# 1922:20 Unique 3.40, 3.54 A)
&rst
ixpk= 1922, nxpk= 20, iat=1106,1048, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 162 LEU HA 162 LEU HB+ 6.00 (# 1923:20 Unique 2.40, 2.77 A)
&rst
ixpk= 1923, nxpk= 20, iat=1048, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1050,1051,
&end
#
# 159 MET HA 162 LEU HB+ 6.00 (# 1924:20 Unique 2.20, 2.91 A)
&rst
ixpk= 1924, nxpk= 20, iat=1003, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1050,1051,
&end
#
# 177 TYR HB- 0 AMB 20-1:1925 8.00 (# 1925:20 Single Ambig)
&rst
ixpk= 1925, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.42, r4=12.92,
igr1=1320,1321,
igr2= 507, 508, 509, 511, 512, 513, 700,
&end
#
# 0 AMB 20-2:1926 162 LEU HG 8.00 (# 1926:20 Single Ambig)
&rst
ixpk= 1926, nxpk= 20, iat= -1,1053, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1=1048,1039,1040,
&end
#
# 163 ILE HN 163 ILE HB 2.80 (# 1927:20 Unique 2.30, 2.34 A)
&rst
ixpk= 1927, nxpk= 20, iat=1065,1069, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 163 ILE QG2 163 ILE HG1+ 3.50 (# 1928:20 Unique 2.49, 3.52 A)
&rst
ixpk= 1928, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1071,1072,1073,
igr2=1075,1076,
&end
#
# 0 AMB 20-2:1929 0 AMB 20-1:1929 4.50 (# 1929:20 Double Ambig)
&rst
ixpk= 1929, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1065,1173,
igr2=1075,1076,1075,1076,
&end
#
# 0 AMB 20-2:1930 163 ILE QD1 4.50 (# 1930:20 Single Ambig)
&rst
ixpk= 1930, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1324,1333,1030,1031,
igr2=1078,1079,1080,
&end
#
# 164 LYS HN 163 ILE QD1 8.00 (# 1931:20 Unique 5.02, 5.86 A)
&rst
ixpk= 1931, nxpk= 20, iat=1084, -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr2=1078,1079,1080,
&end
#
# 177 TYR HE 163 ILE QD1 4.50 (# 1932:20 Unique 2.22, 4.94 A)
&rst
ixpk= 1932, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1326,1331,
igr2=1078,1079,1080,
&end
#
# 160 GLN HA 163 ILE QD1 3.50 (# 1933:20 Unique 2.34, 4.03 A)
&rst
ixpk= 1933, nxpk= 20, iat=1020, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1078,1079,1080,
&end
#
# 163 ILE HA 163 ILE QD1 4.50 (# 1934:20 Unique 4.32, 4.60 A)
&rst
ixpk= 1934, nxpk= 20, iat=1067, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1078,1079,1080,
&end
#
# 171 LYS HE+ 163 ILE QD1 6.00 (# 1935:20 Unique 2.77, 5.57 A)
&rst
ixpk= 1935, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1224,1225,
igr2=1078,1079,1080,
&end
#
# 0 AMB 20-2:1936 163 ILE QD1 6.00 (# 1936:20 Single Ambig)
&rst
ixpk= 1936, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1177,1320,1321,
igr2=1078,1079,1080,
&end
#
# 159 MET HB+ 163 ILE QD1 6.00 (# 1937:20 Unique 3.38, 5.04 A)
&rst
ixpk= 1937, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1005,1006,
igr2=1078,1079,1080,
&end
#
# 160 GLN HB+ 163 ILE QD1 6.00 (# 1938:20 Unique 4.16, 6.56 A)
&rst
ixpk= 1938, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1022,1023,
igr2=1078,1079,1080,
&end
#
# 163 ILE HB 163 ILE QD1 2.80 (# 1939:20 Unique 2.47, 3.14 A)
&rst
ixpk= 1939, nxpk= 20, iat=1069, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1078,1079,1080,
&end
#
# 0 AMB 20-2:1940 163 ILE QD1 2.80 (# 1940:20 Single Ambig)
&rst
ixpk= 1940, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1075,1076,1005,1006,
igr2=1078,1079,1080,
&end
#
# 0 AMB 20-2:1941 163 ILE QD1 2.80 (# 1941:20 Single Ambig)
&rst
ixpk= 1941, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1075,1076,1218,1219,
igr2=1078,1079,1080,
&end
#
# 163 ILE HA 163 ILE QG2 3.20 (# 1942:20 Unique 2.69, 3.32 A)
&rst
ixpk= 1942, nxpk= 20, iat=1067, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2=1071,1072,1073,
&end
#
# 163 ILE HB 163 ILE QG2 2.80 (# 1943:20 Unique 2.44, 2.67 A)
&rst
ixpk= 1943, nxpk= 20, iat=1069, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1071,1072,1073,
&end
#
# 0 AMB 20-2:1944 163 ILE QG2 3.50 (# 1944:20 Single Ambig)
&rst
ixpk= 1944, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1075,1076,1199,1200,
igr2=1071,1072,1073,
&end
#
# 167 PRO HD+ 165 MET HA 8.00 (# 1945:20 Unique 3.97, 4.99 A)
&rst
ixpk= 1945, nxpk= 20, iat= -1,1108, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1145,1146,
&end
#
# 165 MET HG+ 165 MET HA 4.50 (# 1946:20 Unique 2.31, 3.09 A)
&rst
ixpk= 1946, nxpk= 20, iat= -1,1108, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1113,1114,
&end
#
# 166 TYR HN 166 TYR HA 6.00 (# 1947:20 Unique 2.96, 2.98 A)
&rst
ixpk= 1947, nxpk= 20, iat=1123,1125, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 167 PRO HD- 166 TYR HA 3.20 (# 1948:20 Unique 2.08, 2.49 A)
&rst
ixpk= 1948, nxpk= 20, iat= -1,1125, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1145,1146,
&end
#
# 0 AMB 20-2:1949 166 TYR HA 4.50 (# 1949:20 Single Ambig)
&rst
ixpk= 1949, nxpk= 20, iat= -1,1125, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1=1113,1114,1148,1149,1110,1111,1117,1118,1119,1151,
1152,
&end
#
# 166 TYR HE 166 TYR HB- 8.00 (# 1950:20 Unique 4.63, 5.10 A)
&rst
ixpk= 1950, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1133,1138,
igr2=1127,1128,
&end
#
# 166 TYR HE 166 TYR HB+ 8.00 (# 1951:20 Unique 4.63, 5.10 A)
&rst
ixpk= 1951, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1133,1138,
igr2=1127,1128,
&end
#
# 168 GLU HN 167 PRO HA 6.00 (# 1952:20 Unique 3.41, 3.46 A)
&rst
ixpk= 1952, nxpk= 20, iat=1158,1154, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 169 VAL HN 167 PRO HA 6.00 (# 1953:20 Unique 3.52, 3.66 A)
&rst
ixpk= 1953, nxpk= 20, iat=1173,1154, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 167 PRO HD+ 167 PRO HA 6.00 (# 1954:20 Unique 3.43, 3.74 A)
&rst
ixpk= 1954, nxpk= 20, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1145,1146,
&end
#
# 168 GLU HN 167 PRO HB- 8.00 (# 1955:20 Unique 3.13, 3.91 A)
&rst
ixpk= 1955, nxpk= 20, iat=1158, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1151,1152,
&end
#
# 166 TYR HB- 167 PRO HD+ 6.00 (# 1956:20 Unique 4.04, 4.82 A)
&rst
ixpk= 1956, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1127,1128,
igr2=1145,1146,
&end
#
# 166 TYR HB+ 167 PRO HD+ 6.00 (# 1957:20 Unique 4.04, 4.82 A)
&rst
ixpk= 1957, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1127,1128,
igr2=1145,1146,
&end
#
# 0 AMB 20-2:1958 0 AMB 20-1:1958 6.00 (# 1958:20 Double Ambig)
&rst
ixpk= 1958, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1108,1160,
igr2=1145,1146,1145,1146,
&end
#
# 0 AMB 20-2:1959 167 PRO HD- 6.00 (# 1959:20 Single Ambig)
&rst
ixpk= 1959, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1108,1160,
igr2=1145,1146,
&end
#
# 166 TYR HD 167 PRO HD- 6.00 (# 1960:20 Unique 3.88, 5.58 A)
&rst
ixpk= 1960, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1131,1140,
igr2=1145,1146,
&end
#
# 166 TYR HD 167 PRO HD+ 8.00 (# 1961:20 Unique 3.88, 5.58 A)
&rst
ixpk= 1961, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1131,1140,
igr2=1145,1146,
&end
#
# 166 TYR HN 167 PRO HD- 6.00 (# 1962:20 Unique 3.32, 4.09 A)
&rst
ixpk= 1962, nxpk= 20, iat=1123, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1145,1146,
&end
#
# 170 LYS HA 169 VAL MGX 6.00 (# 1963:20 Unique 3.73, 5.91 A)
&rst
ixpk= 1963, nxpk= 20, iat=1191, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1179,1180,1181,1183,1184,1185,
&end
#
# 159 MET HA 169 VAL MGX 8.00 (# 1964:20 Unique 4.90, 6.89 A)
&rst
ixpk= 1964, nxpk= 20, iat=1003, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr2=1179,1180,1181,1183,1184,1185,
&end
#
# 168 GLU HB- 169 VAL MGX 8.00 (# 1965:20 Unique 3.34, 6.22 A)
&rst
ixpk= 1965, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1=1162,1163,
igr2=1179,1180,1181,1183,1184,1185,
&end
#
# 172 PRO HD- 171 LYS HA 6.00 (# 1966:20 Unique 2.12, 2.62 A)
&rst
ixpk= 1966, nxpk= 20, iat= -1,1213, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1234,1235,
&end
#
# 172 PRO HD+ 171 LYS HA 4.50 (# 1967:20 Unique 2.12, 2.62 A)
&rst
ixpk= 1967, nxpk= 20, iat= -1,1213, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1234,1235,
&end
#
# 171 LYS HB- 171 LYS HA 4.50 (# 1968:20 Unique 2.30, 2.67 A)
&rst
ixpk= 1968, nxpk= 20, iat= -1,1213, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1215,1216,
&end
#
# 171 LYS HB+ 171 LYS HA 6.00 (# 1969:20 Unique 2.30, 2.67 A)
&rst
ixpk= 1969, nxpk= 20, iat= -1,1213, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1215,1216,
&end
#
# 0 AMB 20-2:1970 171 LYS HA 6.00 (# 1970:20 Single Ambig)
&rst
ixpk= 1970, nxpk= 20, iat= -1,1213, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1218,1219,1218,1219,
&end
#
# 171 LYS HA 171 LYS HB+ 6.00 (# 1971:20 Unique 2.30, 2.67 A)
&rst
ixpk= 1971, nxpk= 20, iat=1213, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1215,1216,
&end
#
# 177 TYR HD 171 LYS HB- 6.00 (# 1972:20 Unique 2.52, 5.16 A)
&rst
ixpk= 1972, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1324,1333,
igr2=1215,1216,
&end
#
# 177 TYR HE 171 LYS HB+ 6.00 (# 1973:20 Unique 2.46, 4.91 A)
&rst
ixpk= 1973, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1326,1331,
igr2=1215,1216,
&end
#
# 177 TYR HE 171 LYS HB- 8.00 (# 1974:20 Unique 2.46, 4.91 A)
&rst
ixpk= 1974, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1326,1331,
igr2=1215,1216,
&end
#
# 177 TYR HE 171 LYS HB- 8.00 (# 1975:20 Unique 2.46, 4.91 A)
&rst
ixpk= 1975, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1326,1331,
igr2=1215,1216,
&end
#
# 0 AMB 20-2:1976 0 AMB 20-1:1976 6.00 (# 1976:20 Double Ambig)
&rst
ixpk= 1976, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1211,1247,
igr2=1218,1219,1218,1219,
&end
#
# 0 AMB 20-2:1977 171 LYS HG- 6.00 (# 1977:20 Single Ambig)
&rst
ixpk= 1977, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1211,1247,
igr2=1218,1219,
&end
#
# 177 TYR HE 0 AMB 20-1:1978 6.00 (# 1978:20 Single Ambig)
&rst
ixpk= 1978, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1326,1331,
igr2=1218,1219,1218,1219,
&end
#
# 177 TYR HD 0 AMB 20-1:1979 6.00 (# 1979:20 Single Ambig)
&rst
ixpk= 1979, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1324,1333,
igr2=1218,1219,1218,1219,
&end
#
# 177 TYR HD 171 LYS HG+ 8.00 (# 1980:20 Unique 2.80, 5.18 A)
&rst
ixpk= 1980, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1324,1333,
igr2=1218,1219,
&end
#
# 177 TYR HE 0 AMB 20-1:1981 6.00 (# 1981:20 Single Ambig)
&rst
ixpk= 1981, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1326,1331,
igr2=1218,1219,1218,1219,
&end
#
# 171 LYS HA 171 LYS HG- 6.00 (# 1982:20 Unique 2.49, 3.01 A)
&rst
ixpk= 1982, nxpk= 20, iat=1213, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1218,1219,
&end
#
# 171 LYS HE+ 171 LYS HG- 4.50 (# 1983:20 Unique 2.42, 3.26 A)
&rst
ixpk= 1983, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1224,1225,
igr2=1218,1219,
&end
#
# 0 AMB 20-2:1984 0 AMB 20-1:1984 3.20 (# 1984:20 Double Ambig)
&rst
ixpk= 1984, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=1218,1219,1218,1219,
igr2=1215,1216,1215,1216,
&end
#
# 171 LYS HA 171 LYS HG+ 6.00 (# 1985:20 Unique 2.49, 3.01 A)
&rst
ixpk= 1985, nxpk= 20, iat=1213, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1218,1219,
&end
#
# 171 LYS HE+ 171 LYS HG+ 4.50 (# 1986:20 Unique 2.42, 3.26 A)
&rst
ixpk= 1986, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1224,1225,
igr2=1218,1219,
&end
#
# 171 LYS HB- 0 AMB 20-1:1987 2.80 (# 1987:20 Single Ambig)
&rst
ixpk= 1987, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1215,1216,
igr2=1218,1219,1218,1219,
&end
#
# 0 AMB 20-2:1988 0 AMB 20-1:1988 3.20 (# 1988:20 Double Ambig)
&rst
ixpk= 1988, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=1215,1216,1215,1216,
igr2=1218,1219,1218,1219,
&end
#
# 0 AMB 20-2:1989 170 LYS HA 8.00 (# 1989:20 Single Ambig)
&rst
ixpk= 1989, nxpk= 20, iat= -1,1191, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1193,1194,1193,1194,
&end
#
# 171 LYS HN 0 AMB 20-1:1990 4.50 (# 1990:20 Single Ambig)
&rst
ixpk= 1990, nxpk= 20, iat=1211, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1193,1194,1193,1194,
&end
#
# 170 LYS HN 0 AMB 20-1:1991 8.00 (# 1991:20 Single Ambig)
&rst
ixpk= 1991, nxpk= 20, iat=1189, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr2=1193,1194,1193,1194,
&end
#
# 172 PRO HD+ 170 LYS HB+ 8.00 (# 1992:20 Unique 2.46, 4.10 A)
&rst
ixpk= 1992, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1234,1235,
igr2=1193,1194,
&end
#
# 170 LYS HE+ 170 LYS HB+ 8.00 (# 1993:20 Unique 2.06, 4.50 A)
&rst
ixpk= 1993, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1202,1203,
igr2=1193,1194,
&end
#
# 170 LYS HE+ 170 LYS HB- 8.00 (# 1994:20 Unique 2.06, 4.50 A)
&rst
ixpk= 1994, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1202,1203,
igr2=1193,1194,
&end
#
# 172 PRO HD- 170 LYS HB+ 8.00 (# 1995:20 Unique 2.46, 4.10 A)
&rst
ixpk= 1995, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1234,1235,
igr2=1193,1194,
&end
#
# 172 PRO HD- 170 LYS HB- 6.00 (# 1996:20 Unique 2.46, 4.10 A)
&rst
ixpk= 1996, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1234,1235,
igr2=1193,1194,
&end
#
# 0 AMB 20-2:1997 0 AMB 20-1:1997 2.80 (# 1997:20 Double Ambig)
&rst
ixpk= 1997, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1196,1197,1196,1197,1199,1200,
igr2=1193,1194,1193,1194,1193,1194,
&end
#
# 163 ILE QD1 171 LYS HB- 6.00 (# 1998:20 Unique 2.29, 4.32 A)
&rst
ixpk= 1998, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1078,1079,1080,
igr2=1215,1216,
&end
#
# 0 AMB 20-2:1999 0 AMB 20-1:1999 2.80 (# 1999:20 Double Ambig)
&rst
ixpk= 1999, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1196,1197,1199,1200,
igr2=1202,1203,1202,1203,
&end
#
# 170 LYS HD+ 170 LYS HE+ 2.80 (# 2000:20 Unique 2.35, 2.72 A)
&rst
ixpk= 2000, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1199,1200,
igr2=1202,1203,
&end
#
# 173 TYR HB- 172 PRO HA 8.00 (# 2001:20 Unique 4.92, 5.55 A)
&rst
ixpk= 2001, nxpk= 20, iat= -1,1243, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1251,1252,
&end
#
# 0 AMB 20-2:2002 172 PRO HD- 6.00 (# 2002:20 Single Ambig)
&rst
ixpk= 2002, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1= 609, 610, 611,1218,1219,
igr2=1234,1235,
&end
#
# 0 AMB 20-2:2003 0 AMB 20-1:2003 3.20 (# 2003:20 Double Ambig)
&rst
ixpk= 2003, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=1237,1238,1199,1200,
igr2=1234,1235,1234,1235,
&end
#
# 177 TYR HB- 172 PRO HD+ 6.00 (# 2004:20 Unique 4.44, 5.36 A)
&rst
ixpk= 2004, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1320,1321,
igr2=1234,1235,
&end
#
# 172 PRO HA 172 PRO HD+ 6.00 (# 2005:20 Unique 3.24, 3.72 A)
&rst
ixpk= 2005, nxpk= 20, iat=1243, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1234,1235,
&end
#
# 0 AMB 20-2:2006 172 PRO HD- 8.00 (# 2006:20 Single Ambig)
&rst
ixpk= 2006, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1247,1211,
igr2=1234,1235,
&end
#
# 178 ILE HN 172 PRO HD- 6.00 (# 2007:20 Unique 2.91, 3.29 A)
&rst
ixpk= 2007, nxpk= 20, iat=1337, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1234,1235,
&end
#
# 0 AMB 20-2:2008 173 TYR HB- 8.00 (# 2008:20 Single Ambig)
&rst
ixpk= 2008, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1=1303,1304,1275,1276,
igr2=1251,1252,
&end
#
# 0 AMB 20-2:2009 174 ARG HA 6.00 (# 2009:20 Single Ambig)
&rst
ixpk= 2009, nxpk= 20, iat= -1,1270, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1278,1279,1278,1279,
&end
#
# 175 GLY HN 174 ARG HA 8.00 (# 2010:20 Unique 2.09, 2.13 A)
&rst
ixpk= 2010, nxpk= 20, iat=1292,1270, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 174 ARG HN 174 ARG HB- 3.50 (# 2011:20 Unique 2.30, 2.91 A)
&rst
ixpk= 2011, nxpk= 20, iat=1268, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1272,1273,
&end
#
# 109 GLY HN 0 AMB 20-1:2012 4.50 (# 2012:20 Single Ambig)
&rst
ixpk= 2012, nxpk= 20, iat= 214, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 216, 217, 216, 217,
&end
#
# 0 AMB 20-2:2013 175 GLY HA- 8.00 (# 2013:20 Single Ambig)
&rst
ixpk= 2013, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.42, r4=12.92,
igr1=1306,1307, 947, 948, 949,1303,1304,
igr2=1294,1295,
&end
#
# 177 TYR HD 176 GLN HA 6.00 (# 2014:20 Unique 3.05, 4.83 A)
&rst
ixpk= 2014, nxpk= 20, iat= -1,1301, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1324,1333,
&end
#
# 176 GLN HG+ 176 GLN HA 3.50 (# 2015:20 Unique 2.39, 2.75 A)
&rst
ixpk= 2015, nxpk= 20, iat= -1,1301, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1306,1307,
&end
#
# 0 AMB 20-2:2016 176 GLN HA 3.20 (# 2016:20 Single Ambig)
&rst
ixpk= 2016, nxpk= 20, iat= -1,1301, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1=1306,1307,1303,1304,
&end
#
# 176 GLN HN 176 GLN HB- 6.00 (# 2017:20 Unique 2.54, 3.24 A)
&rst
ixpk= 2017, nxpk= 20, iat=1299, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1303,1304,
&end
#
# 176 GLN HA 176 GLN HB- 6.00 (# 2018:20 Unique 2.42, 2.77 A)
&rst
ixpk= 2018, nxpk= 20, iat=1301, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1303,1304,
&end
#
# 0 AMB 20-2:2019 0 AMB 20-1:2019 6.00 (# 2019:20 Double Ambig)
&rst
ixpk= 2019, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 634, 656,1292,
igr2=1306,1307,1306,1307,1306,1307,
&end
#
# 177 TYR HN 176 GLN HG+ 6.00 (# 2020:20 Unique 3.06, 4.35 A)
&rst
ixpk= 2020, nxpk= 20, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1306,1307,
&end
#
# 176 GLN HN 176 GLN HG- 6.00 (# 2021:20 Unique 3.14, 3.93 A)
&rst
ixpk= 2021, nxpk= 20, iat=1299, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1306,1307,
&end
#
# 173 TYR HD 176 GLN HG+ 6.00 (# 2022:20 Unique 2.49, 6.00 A)
&rst
ixpk= 2022, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1255,1264,
igr2=1306,1307,
&end
#
# 176 GLN HE2- 176 GLN HG- 8.00 (# 2023:20 Unique 2.28, 3.21 A)
&rst
ixpk= 2023, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1311,1312,
igr2=1306,1307,
&end
#
# 0 AMB 20-2:2024 176 GLN HG- 3.50 (# 2024:20 Single Ambig)
&rst
ixpk= 2024, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1303,1304, 641, 642,
igr2=1306,1307,
&end
#
# 134 ALA MB 176 GLN HG- 6.00 (# 2025:20 Unique 2.30, 5.98 A)
&rst
ixpk= 2025, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 609, 610, 611,
igr2=1306,1307,
&end
#
# 177 TYR HN 177 TYR HA 4.50 (# 2026:20 Unique 2.95, 2.97 A)
&rst
ixpk= 2026, nxpk= 20, iat=1316,1318, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 171 LYS HA 177 TYR HA 6.00 (# 2027:20 Unique 2.09, 2.22 A)
&rst
ixpk= 2027, nxpk= 20, iat=1213,1318, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 172 PRO HD+ 177 TYR HA 6.00 (# 2028:20 Unique 2.09, 2.86 A)
&rst
ixpk= 2028, nxpk= 20, iat= -1,1318, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1234,1235,
&end
#
# 172 PRO HD- 177 TYR HA 8.00 (# 2029:20 Unique 2.09, 2.86 A)
&rst
ixpk= 2029, nxpk= 20, iat= -1,1318, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1234,1235,
&end
#
# 177 TYR HN 177 TYR HB- 6.00 (# 2030:20 Unique 2.34, 3.06 A)
&rst
ixpk= 2030, nxpk= 20, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1320,1321,
&end
#
# 177 TYR HN 177 TYR HB+ 8.00 (# 2031:20 Unique 2.34, 3.06 A)
&rst
ixpk= 2031, nxpk= 20, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1320,1321,
&end
#
# 177 TYR HA 177 TYR HB+ 6.00 (# 2032:20 Unique 2.47, 2.77 A)
&rst
ixpk= 2032, nxpk= 20, iat=1318, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1320,1321,
&end
#
# 0 AMB 20-2:2033 178 ILE HA 4.50 (# 2033:20 Single Ambig)
&rst
ixpk= 2033, nxpk= 20, iat= -1,1339, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1350,1351,1352, 507, 508, 509, 511, 512, 513,
&end
#
# 134 ALA HA 178 ILE HB 4.50 (# 2034:20 Unique 2.52, 2.86 A)
&rst
ixpk= 2034, nxpk= 20, iat= 607,1341, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 172 PRO HG+ 178 ILE HB 6.00 (# 2035:20 Unique 2.28, 3.07 A)
&rst
ixpk= 2035, nxpk= 20, iat= -1,1341, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1237,1238,
&end
#
# 178 ILE HA 178 ILE HG1+ 4.50 (# 2036:20 Unique 2.23, 2.92 A)
&rst
ixpk= 2036, nxpk= 20, iat=1339, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1347,1348,
&end
#
# 179 LEU HN 178 ILE HG1+ 4.50 (# 2037:20 Unique 2.03, 2.60 A)
&rst
ixpk= 2037, nxpk= 20, iat=1356, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1347,1348,
&end
#
# 178 ILE HG1- 178 ILE QD1 2.80 (# 2038:20 Unique 2.41, 2.66 A)
&rst
ixpk= 2038, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1347,1348,
igr2=1350,1351,1352,
&end
#
# 0 AMB 20-2:2039 178 ILE QD1 4.50 (# 2039:20 Single Ambig)
&rst
ixpk= 2039, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1237,1238,1360,1361,1193,1194,
igr2=1350,1351,1352,
&end
#
# 168 GLU HG+ 179 LEU MDY 8.00 (# 2040:20 Unique 2.34, 5.74 A)
&rst
ixpk= 2040, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1=1165,1166,
igr2=1365,1366,1367,1369,1370,1371,
&end
#
# 168 GLU HG- 179 LEU MDY 8.00 (# 2041:20 Unique 2.34, 5.74 A)
&rst
ixpk= 2041, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1=1165,1166,
igr2=1365,1366,1367,1369,1370,1371,
&end
#
# 0 AMB 20-2:2042 179 LEU MDY 8.00 (# 2042:20 Single Ambig)
&rst
ixpk= 2042, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1=1412,1173,
igr2=1365,1366,1367,1369,1370,1371,
&end
#
# 180 GLU HN 179 LEU MDY 6.00 (# 2043:20 Unique 2.26, 4.74 A)
&rst
ixpk= 2043, nxpk= 20, iat=1375, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1365,1366,1367,1369,1370,1371,
&end
#
# 179 LEU HA 179 LEU MDX 8.00 (# 2044:20 Unique 2.18, 4.01 A)
&rst
ixpk= 2044, nxpk= 20, iat=1358, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr2=1365,1366,1367,1369,1370,1371,
&end
#
# 170 LYS HE+ 180 GLU HB+ 6.00 (# 2045:20 Unique 2.32, 5.04 A)
&rst
ixpk= 2045, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1202,1203,
igr2=1379,1380,
&end
#
# 182 GLU HN 181 GLY HA+ 2.80 (# 2046:20 Unique 2.15, 2.61 A)
&rst
ixpk= 2046, nxpk= 20, iat=1397, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1392,1393,
&end
#
# 0 AMB 20-2:2047 181 GLY HA- 6.00 (# 2047:20 Single Ambig)
&rst
ixpk= 2047, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1165,1166,1404,1405,
igr2=1392,1393,
&end
#
# 180 GLU HB- 181 GLY HA- 6.00 (# 2048:20 Unique 4.02, 5.28 A)
&rst
ixpk= 2048, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1379,1380,
igr2=1392,1393,
&end
#
# 180 GLU HB- 181 GLY HA+ 6.00 (# 2049:20 Unique 4.02, 5.28 A)
&rst
ixpk= 2049, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1379,1380,
igr2=1392,1393,
&end
#
# 0 AMB 20-2:2050 0 AMB 20-1:2050 6.00 (# 2050:20 Double Ambig)
&rst
ixpk= 2050, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.74, r4=12.24,
igr1=1162,1163,1379,1380,1401,1402, 42,
igr2=1392,1393,1392,1393,1392,1393, 33, 34,
&end
#
# 0 AMB 20-2:2051 181 GLY HA- 6.00 (# 2051:20 Single Ambig)
&rst
ixpk= 2051, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1162,1163,1379,1380,1401,1402,
igr2=1392,1393,
&end
#
# 181 GLY HA- 182 GLU HA 6.00 (# 2052:20 Unique 4.33, 4.56 A)
&rst
ixpk= 2052, nxpk= 20, iat= -1,1399, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1392,1393,
&end
#
# 184 GLU HN 183 ILE HB 4.50 (# 2053:20 Unique 2.70, 3.85 A)
&rst
ixpk= 2053, nxpk= 20, iat=1431,1416, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:2054 183 ILE HB 6.00 (# 2054:20 Single Ambig)
&rst
ixpk= 2054, nxpk= 20, iat= -1,1416, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1165,1166,1438,1439,1438,1439,
&end
#
# 182 GLU HA 183 ILE HG1+ 8.00 (# 2055:20 Unique 3.63, 5.10 A)
&rst
ixpk= 2055, nxpk= 20, iat=1399, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1422,1423,
&end
#
# 184 GLU HN 183 ILE HG1- 8.00 (# 2056:20 Unique 2.37, 4.25 A)
&rst
ixpk= 2056, nxpk= 20, iat=1431, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1422,1423,
&end
#
# 184 GLU HN 183 ILE HG1+ 8.00 (# 2057:20 Unique 2.37, 4.25 A)
&rst
ixpk= 2057, nxpk= 20, iat=1431, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1422,1423,
&end
#
# 166 TYR HD 183 ILE QG2 6.00 (# 2058:20 Unique 2.42, 5.88 A)
&rst
ixpk= 2058, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1131,1140,
igr2=1418,1419,1420,
&end
#
# 166 TYR HE 183 ILE QG2 6.00 (# 2059:20 Unique 2.41, 6.07 A)
&rst
ixpk= 2059, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1133,1138,
igr2=1418,1419,1420,
&end
#
# 183 ILE HA 183 ILE QG2 3.50 (# 2060:20 Unique 2.35, 3.40 A)
&rst
ixpk= 2060, nxpk= 20, iat=1414, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1418,1419,1420,
&end
#
# 0 AMB 20-2:2061 183 ILE QG2 6.00 (# 2061:20 Single Ambig)
&rst
ixpk= 2061, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=1438,1439,1438,1439,1165,1166,
igr2=1418,1419,1420,
&end
#
# 183 ILE HB 183 ILE QG2 2.80 (# 2062:20 Unique 2.40, 2.66 A)
&rst
ixpk= 2062, nxpk= 20, iat=1416, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1418,1419,1420,
&end
#
# 0 AMB 20-2:2063 183 ILE QG2 4.50 (# 2063:20 Single Ambig)
&rst
ixpk= 2063, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1422,1423, 524, 525,
igr2=1418,1419,1420,
&end
#
# 183 ILE HG1+ 183 ILE QG2 4.50 (# 2064:20 Unique 2.37, 3.47 A)
&rst
ixpk= 2064, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1422,1423,
igr2=1418,1419,1420,
&end
#
# 188 SER HN 188 SER HA 3.50 (# 2065:20 Unique 2.85, 2.92 A)
&rst
ixpk= 2065, nxpk= 20, iat=1482,1484, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 194 HIS HB- 194 HIS HA 4.50 (# 2066:20 Unique 2.31, 2.60 A)
&rst
ixpk= 2066, nxpk= 20, iat= -1,1568, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1570,1571,
&end
#
# 194 HIS HB+ 194 HIS HA 2.80 (# 2067:20 Unique 2.31, 2.60 A)
&rst
ixpk= 2067, nxpk= 20, iat= -1,1568, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1570,1571,
&end
#
# 144 ILE HG1+ 127 THR HB 4.50 (# 2068:20 Unique 3.42, 3.88 A)
&rst
ixpk= 2068, nxpk= 20, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 776, 777,
&end
#
# 0 AMB 20-2:2069 115 SER HB- 6.00 (# 2069:20 Single Ambig)
&rst
ixpk= 2069, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 252, 253, 249, 250,
igr2= 294, 295,
&end
#
# 0 AMB 20-2:2070 163 ILE HA 4.50 (# 2070:20 Single Ambig)
&rst
ixpk= 2070, nxpk= 20, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1055,1056,1057,1059,1060,1061,1078,1079,1080,
&end
#
# 163 ILE QG2 163 ILE HA 3.20 (# 2071:20 Unique 2.69, 3.32 A)
&rst
ixpk= 2071, nxpk= 20, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1=1071,1072,1073,
&end
#
# 155 MET ME 138 SER HA 6.00 (# 2072:20 Unique 2.55, 5.08 A)
&rst
ixpk= 2072, nxpk= 20, iat= -1, 669, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 947, 948, 949,
&end
#
# 136 LYS HA 137 SER HB- 6.00 (# 2073:20 Unique 4.38, 5.15 A)
&rst
ixpk= 2073, nxpk= 20, iat= 636, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 660, 661,
&end
#
# 0 AMB 20-2:2074 117 ALA HA 4.50 (# 2074:20 Single Ambig)
&rst
ixpk= 2074, nxpk= 20, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 343, 290,
&end
#
# 152 ILE QD1 145 GLU HA 6.00 (# 2075:20 Unique 5.18, 6.43 A)
&rst
ixpk= 2075, nxpk= 20, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 902, 903, 904,
&end
#
# 0 AMB 20-2:2076 0 AMB 20-1:2076 3.50 (# 2076:20 Double Ambig)
&rst
ixpk= 2076, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 507, 508, 509, 511, 512, 513,1365,1366,1367,1369,
1370,1371,
igr2= 500,1160,
&end
#
# 152 ILE QD1 155 MET HA 6.00 (# 2077:20 Unique 3.01, 4.25 A)
&rst
ixpk= 2077, nxpk= 20, iat= -1, 938, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 902, 903, 904,
&end
#
# 121 ARG HB+ 121 ARG HD- 4.50 (# 2078:20 Unique 2.25, 3.17 A)
&rst
ixpk= 2078, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 388, 389,
igr2= 394, 395,
&end
#
# 0 AMB 20-2:2079 0 AMB 20-1:2079 8.00 (# 2079:20 Double Ambig)
&rst
ixpk= 2079, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1= 967,1018,
igr2= 985, 986, 985, 986,
&end
#
# 158 PHE HN 154 ASN HB+ 8.00 (# 2080:20 Unique 3.49, 4.46 A)
&rst
ixpk= 2080, nxpk= 20, iat= 981, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 926, 927,
&end
#
# 166 TYR HD 166 TYR HB+ 3.50 (# 2081:20 Unique 2.31, 3.07 A)
&rst
ixpk= 2081, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1131,1140,
igr2=1127,1128,
&end
#
# 138 SER HN 136 LYS HB+ 8.00 (# 2082:20 Unique 2.94, 4.19 A)
&rst
ixpk= 2082, nxpk= 20, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 638, 639,
&end
#
# 166 TYR HD 165 MET HB- 4.50 (# 2083:20 Unique 2.36, 4.62 A)
&rst
ixpk= 2083, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1131,1140,
igr2=1110,1111,
&end
#
# 135 ILE HA 136 LYS HB+ 6.00 (# 2084:20 Unique 4.41, 4.88 A)
&rst
ixpk= 2084, nxpk= 20, iat= 617, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 638, 639,
&end
#
# 121 ARG HD- 121 ARG HB- 6.00 (# 2085:20 Unique 2.25, 3.17 A)
&rst
ixpk= 2085, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 394, 395,
igr2= 388, 389,
&end
#
# 113 PRO HD+ 112 ARG HB+ 4.50 (# 2086:20 Unique 2.15, 3.73 A)
&rst
ixpk= 2086, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 270, 271,
igr2= 249, 250,
&end
#
# 120 LEU MDX 145 GLU HG+ 6.00 (# 2087:20 Unique 3.35, 5.60 A)
&rst
ixpk= 2087, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 374, 375, 376, 378, 379, 380,
igr2= 792, 793,
&end
#
# 0 AMB 20-2:2088 0 AMB 20-1:2088 4.50 (# 2088:20 Double Ambig)
&rst
ixpk= 2088, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 776, 777, 776, 777,
igr2= 755, 756, 755, 756,
&end
#
# 147 GLU HA 147 GLU HB+ 2.80 (# 2089:20 Unique 2.37, 2.73 A)
&rst
ixpk= 2089, nxpk= 20, iat= 824, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 826, 827,
&end
#
# 0 AMB 20-2:2090 136 LYS HA 6.00 (# 2090:20 Single Ambig)
&rst
ixpk= 2090, nxpk= 20, iat= -1, 636, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 641, 642,1303,1304,
&end
#
# 0 AMB 20-2:2091 0 AMB 20-1:2091 4.50 (# 2091:20 Double Ambig)
&rst
ixpk= 2091, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1418,1419,1420,1179,1180,1181,1183,1184,1185,
igr2=1162,1163,1162,1163,
&end
#
# 99 ILE HN 99 ILE HG1- 6.00 (# 2092:20 Unique 1.95, 3.42 A)
&rst
ixpk= 2092, nxpk= 20, iat= 38, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 48, 49,
&end
#
# 152 ILE HG1+ 124 ALA MB 8.00 (# 2093:20 Unique 5.62, 7.45 A)
&rst
ixpk= 2093, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 899, 900,
igr2= 437, 438, 439,
&end
#
# 168 GLU HB- 169 VAL MGY 8.00 (# 2094:20 Unique 3.34, 6.22 A)
&rst
ixpk= 2094, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1=1162,1163,
igr2=1179,1180,1181,1183,1184,1185,
&end
#
# 0 AMB 20-2:2095 152 ILE QG2 8.00 (# 2095:20 Single Ambig)
&rst
ixpk= 2095, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1=1008,1009, 926, 927,
igr2= 895, 896, 897,
&end
#
# 0 AMB 20-2:2096 135 ILE QD1 8.00 (# 2096:20 Single Ambig)
&rst
ixpk= 2096, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 680, 488,
igr2= 628, 629, 630,
&end
#
# 158 PHE HB- 159 MET ME 8.00 (# 2097:20 Unique 4.21, 6.43 A)
&rst
ixpk= 2097, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 985, 986,
igr2=1012,1013,1014,
&end
#
# 124 ALA MB 159 MET ME 4.50 (# 2098:20 Unique 4.50, 6.42 A)
&rst
ixpk= 2098, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 437, 438, 439,
igr2=1012,1013,1014,
&end
#
# 0 AMB 20-2:2099 144 ILE QG2 8.00 (# 2099:20 Single Ambig)
&rst
ixpk= 2099, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 837, 408,
igr2= 772, 773, 774,
&end
#
# 124 ALA HN 144 ILE QG2 4.50 (# 2100:20 Unique 3.30, 4.51 A)
&rst
ixpk= 2100, nxpk= 20, iat= 433, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 772, 773, 774,
&end
#
# 0 AMB 20-2:2101 126 LYS HG- 6.00 (# 2101:20 Single Ambig)
&rst
ixpk= 2101, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 425, 488,
igr2= 469, 470,
&end
#
# 128 LEU HN 124 ALA MB 8.00 (# 2102:20 Unique 4.95, 5.67 A)
&rst
ixpk= 2102, nxpk= 20, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr2= 437, 438, 439,
&end
#
# 140 LEU HN 137 SER HA 6.00 (# 2103:20 Unique 3.49, 3.70 A)
&rst
ixpk= 2103, nxpk= 20, iat= 693, 658, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 178 ILE HB 178 ILE QD1 2.80 (# 2104:20 Unique 2.39, 3.08 A)
&rst
ixpk= 2104, nxpk= 20, iat=1341, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1350,1351,1352,
&end
#
# 168 GLU HG- 181 GLY HA+ 6.00 (# 2105:20 Unique 2.35, 5.72 A)
&rst
ixpk= 2105, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1165,1166,
igr2=1392,1393,
&end
#
# 177 TYR HE 159 MET ME 6.00 (# 2106:20 Unique 3.58, 6.23 A)
&rst
ixpk= 2106, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1326,1331,
igr2=1012,1013,1014,
&end
#
# 177 TYR HD 159 MET ME 6.00 (# 2107:20 Unique 4.16, 6.53 A)
&rst
ixpk= 2107, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1324,1333,
igr2=1012,1013,1014,
&end
#
# 158 PHE HE 159 MET ME 6.00 (# 2108:20 Unique 2.98, 6.16 A)
&rst
ixpk= 2108, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 991, 995,
igr2=1012,1013,1014,
&end
#
# 158 PHE HD 159 MET ME 6.00 (# 2109:20 Unique 2.55, 5.91 A)
&rst
ixpk= 2109, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 989, 997,
igr2=1012,1013,1014,
&end
#
# 152 ILE QG2 158 PHE HB+ 4.50 (# 2110:20 Unique 2.33, 3.10 A)
&rst
ixpk= 2110, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 895, 896, 897,
igr2= 985, 986,
&end
#
# 0 AMB 20-2:2111 127 THR MG2 2.80 (# 2111:20 Single Ambig)
&rst
ixpk= 2111, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 755, 756, 755, 756,
igr2= 490, 491, 492,
&end
#
# 148 SER HA 123 ALA MB 4.50 (# 2112:20 Unique 2.85, 4.16 A)
&rst
ixpk= 2112, nxpk= 20, iat= 839, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 427, 428, 429,
&end
#
# 178 ILE HN 177 TYR HB- 6.00 (# 2113:20 Unique 2.51, 3.22 A)
&rst
ixpk= 2113, nxpk= 20, iat=1337, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1320,1321,
&end
#
# 178 ILE HN 177 TYR HB+ 8.00 (# 2114:20 Unique 2.51, 3.22 A)
&rst
ixpk= 2114, nxpk= 20, iat=1337, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1320,1321,
&end
#
# 177 TYR HD 137 SER HB- 6.00 (# 2115:20 Unique 2.61, 5.63 A)
&rst
ixpk= 2115, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1324,1333,
igr2= 660, 661,
&end
#
# 135 ILE HA 135 ILE HG1- 6.00 (# 2116:20 Unique 2.34, 2.89 A)
&rst
ixpk= 2116, nxpk= 20, iat= 617, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 625, 626,
&end
#
# 136 LYS HN 135 ILE HG1- 4.50 (# 2117:20 Unique 2.35, 2.86 A)
&rst
ixpk= 2117, nxpk= 20, iat= 634, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 625, 626,
&end
#
# 179 LEU HN 128 LEU MDX 8.00 (# 2118:20 Unique 3.26, 5.34 A)
&rst
ixpk= 2118, nxpk= 20, iat=1356, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr2= 507, 508, 509, 511, 512, 513,
&end
#
# 136 LYS HA 137 SER HA 6.00 (# 2119:20 Unique 4.16, 4.33 A)
&rst
ixpk= 2119, nxpk= 20, iat= 636, 658, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:2120 0 AMB 20-1:2120 4.50 (# 2120:20 Double Ambig)
&rst
ixpk= 2120, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1179,1180,1181,1183,1184,1185,1418,1419,1420,
igr2=1165,1166,1165,1166,
&end
#
# 0 AMB 20-2:2121 0 AMB 20-1:2121 4.50 (# 2121:20 Double Ambig)
&rst
ixpk= 2121, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1=1365,1366,1367,1369,1370,1371, 449, 450, 451,1425,
1426,1427,
igr2= 524, 525, 524, 525, 524, 525,
&end
#
# 0 AMB 20-2:2122 182 GLU HA 3.50 (# 2122:20 Single Ambig)
&rst
ixpk= 2122, nxpk= 20, iat= -1,1399, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1404,1405,1165,1166,
&end
#
# 165 MET HB- 162 LEU HA 6.00 (# 2123:20 Unique 2.41, 3.49 A)
&rst
ixpk= 2123, nxpk= 20, iat= -1,1048, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1110,1111,
&end
#
# 0 AMB 20-2:2124 143 GLU HA 3.50 (# 2124:20 Single Ambig)
&rst
ixpk= 2124, nxpk= 20, iat= -1, 753, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 804, 805, 804, 805,
&end
#
# 139 GLU HG+ 139 GLU HA 3.50 (# 2125:20 Unique 2.59, 3.37 A)
&rst
ixpk= 2125, nxpk= 20, iat= -1, 680, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 685, 686,
&end
#
# 0 AMB 20-2:2126 189 ALA HA 3.50 (# 2126:20 Single Ambig)
&rst
ixpk= 2126, nxpk= 20, iat= -1,1495, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1503,1517,
&end
#
# 145 GLU HG+ 145 GLU HB- 4.50 (# 2127:20 Unique 2.44, 2.78 A)
&rst
ixpk= 2127, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 792, 793,
igr2= 789, 790,
&end
#
# 0 AMB 20-2:2128 127 THR HB 6.00 (# 2128:20 Single Ambig)
&rst
ixpk= 2128, nxpk= 20, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 755, 756, 755, 756, 829, 830, 826, 827,
&end
#
# 0 AMB 20-2:2129 127 THR HB 6.00 (# 2129:20 Single Ambig)
&rst
ixpk= 2129, nxpk= 20, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1= 507, 508, 509, 511, 512, 513, 700, 772, 773, 774,
&end
#
# 0 AMB 20-2:2130 127 THR HB 4.50 (# 2130:20 Single Ambig)
&rst
ixpk= 2130, nxpk= 20, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 779, 780, 781, 772, 773, 774,
&end
#
# 140 LEU HB- 137 SER HA 3.50 (# 2131:20 Unique 2.27, 3.26 A)
&rst
ixpk= 2131, nxpk= 20, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 697, 698,
&end
#
# 159 MET ME 137 SER HB- 6.00 (# 2132:20 Unique 2.95, 5.11 A)
&rst
ixpk= 2132, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1012,1013,1014,
igr2= 660, 661,
&end
#
# 185 SER HB- 185 SER HA 2.80 (# 2133:20 Unique 2.42, 2.63 A)
&rst
ixpk= 2133, nxpk= 20, iat= -1,1448, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1450,1451,
&end
#
# 185 SER HB+ 185 SER HA 2.80 (# 2134:20 Unique 2.42, 2.63 A)
&rst
ixpk= 2134, nxpk= 20, iat= -1,1448, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1450,1451,
&end
#
# 0 AMB 20-2:2135 0 AMB 20-1:2135 2.80 (# 2135:20 Double Ambig)
&rst
ixpk= 2135, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1484,1448,
igr2=1486,1487,1450,1451,
&end
#
# 0 AMB 20-2:2136 0 AMB 20-1:2136 2.80 (# 2136:20 Double Ambig)
&rst
ixpk= 2136, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1484,1448,
igr2=1486,1487,1450,1451,
&end
#
# 193 GLU HN 193 GLU HG+ 4.50 (# 2137:20 Unique 2.04, 3.89 A)
&rst
ixpk= 2137, nxpk= 20, iat=1551, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1558,1559,
&end
#
# 178 ILE QG2 170 LYS HB- 4.50 (# 2138:20 Unique 2.21, 3.60 A)
&rst
ixpk= 2138, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1343,1344,1345,
igr2=1193,1194,
&end
#
# 140 LEU MDX 144 ILE HG1- 4.50 (# 2139:20 Unique 2.57, 5.19 A)
&rst
ixpk= 2139, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 702, 703, 704, 706, 707, 708,
igr2= 776, 777,
&end
#
# 0 AMB 20-2:2140 0 AMB 20-1:2140 6.00 (# 2140:20 Double Ambig)
&rst
ixpk= 2140, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.87, r4=12.37,
igr1=1541,1542,1543,1545,1546,1547,1541,1542,1543,1545,
1546,1547,1418,1419,1420,
igr2=1521,1522,1435,1436,
&end
#
# 127 THR HA 130 ARG HG- 6.00 (# 2141:20 Unique 3.83, 4.60 A)
&rst
ixpk= 2141, nxpk= 20, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 546, 547,
&end
#
# 172 PRO HB- 172 PRO HG+ 3.50 (# 2142:20 Unique 2.39, 2.63 A)
&rst
ixpk= 2142, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1240,1241,
igr2=1237,1238,
&end
#
# 133 ALA HA 134 ALA MB 4.50 (# 2143:20 Unique 4.60, 5.22 A)
&rst
ixpk= 2143, nxpk= 20, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 609, 610, 611,
&end
#
# 169 VAL MGX 169 VAL HB 3.50 (# 2144:20 Unique 2.41, 2.67 A)
&rst
ixpk= 2144, nxpk= 20, iat= -1,1177, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1179,1180,1181,1183,1184,1185,
&end
#
# 0 AMB 20-2:2145 0 AMB 20-1:2145 3.50 (# 2145:20 Double Ambig)
&rst
ixpk= 2145, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 484, 967,
igr2= 488, 971,
&end
#
# 127 THR HA 127 THR MG2 3.20 (# 2146:20 Unique 2.38, 3.13 A)
&rst
ixpk= 2146, nxpk= 20, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 490, 491, 492,
&end
#
# 127 THR HB 127 THR MG2 2.80 (# 2147:20 Unique 2.40, 2.66 A)
&rst
ixpk= 2147, nxpk= 20, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 490, 491, 492,
&end
#
# 128 LEU HA 127 THR MG2 3.50 (# 2148:20 Unique 3.44, 4.66 A)
&rst
ixpk= 2148, nxpk= 20, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 490, 491, 492,
&end
#
# 143 GLU HG+ 127 THR MG2 4.50 (# 2149:20 Unique 2.55, 4.25 A)
&rst
ixpk= 2149, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 758, 759,
igr2= 490, 491, 492,
&end
#
# 135 ILE QD1 127 THR MG2 3.50 (# 2150:20 Unique 2.49, 4.00 A)
&rst
ixpk= 2150, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 628, 629, 630,
igr2= 490, 491, 492,
&end
#
# 140 LEU MDX 127 THR MG2 2.80 (# 2151:20 Unique 2.25, 4.96 A)
&rst
ixpk= 2151, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 702, 703, 704, 706, 707, 708,
igr2= 490, 491, 492,
&end
#
# 0 AMB 20-2:2152 127 THR MG2 4.50 (# 2152:20 Single Ambig)
&rst
ixpk= 2152, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 751, 484,
igr2= 490, 491, 492,
&end
#
# 0 AMB 20-2:2153 127 THR MG2 4.50 (# 2153:20 Single Ambig)
&rst
ixpk= 2153, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 498, 693,
igr2= 490, 491, 492,
&end
#
# 131 HIS HD2 135 ILE QD1 8.00 (# 2154:20 Unique 2.83, 3.98 A)
&rst
ixpk= 2154, nxpk= 20, iat= 577, -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr2= 628, 629, 630,
&end
#
# 0 AMB 20-2:2155 141 GLN HG- 8.00 (# 2155:20 Single Ambig)
&rst
ixpk= 2155, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 785, 766,
igr2= 719, 720,
&end
#
# 0 AMB 20-2:2156 0 AMB 20-1:2156 6.00 (# 2156:20 Double Ambig)
&rst
ixpk= 2156, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 785, 766,
igr2= 719, 720, 719, 720,
&end
#
# 0 AMB 20-2:2157 141 GLN HG- 4.50 (# 2157:20 Single Ambig)
&rst
ixpk= 2157, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 792, 793, 943, 944, 943, 944,
igr2= 719, 720,
&end
#
# 166 TYR HE 183 ILE QD1 8.00 (# 2158:20 Unique 2.57, 5.48 A)
&rst
ixpk= 2158, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=1133,1138,
igr2=1425,1426,1427,
&end
#
# 0 AMB 20-2:2159 0 AMB 20-1:2159 8.00 (# 2159:20 Double Ambig)
&rst
ixpk= 2159, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=14.25, r4=14.75,
igr1= 443, 462, 751,1018,
igr2= 507, 508, 509, 511, 512, 513,1053, 700,
&end
#
# 163 ILE HN 162 LEU HG 8.00 (# 2160:20 Unique 3.41, 4.11 A)
&rst
ixpk= 2160, nxpk= 20, iat=1065,1053, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 162 LEU HN 162 LEU MDX 8.00 (# 2161:20 Unique 2.42, 4.93 A)
&rst
ixpk= 2161, nxpk= 20, iat=1046, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr2=1055,1056,1057,1059,1060,1061,
&end
#
# 0 AMB 20-2:2162 0 AMB 20-1:2162 8.00 (# 2162:20 Double Ambig)
&rst
ixpk= 2162, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=14.54, r4=15.04,
igr1=1065,1517,1566,
igr2=1055,1056,1057,1059,1060,1061,1541,1542,1543,1545,
1546,1547,
&end
#
# 135 ILE QD1 139 GLU HA 8.00 (# 2164:20 Unique 4.42, 5.65 A)
&rst
ixpk= 2164, nxpk= 20, iat= -1, 680, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 628, 629, 630,
&end
#
# 163 ILE HG1- 166 TYR HB+ 4.50 (# 2165:20 Unique 5.46, 6.52 A)
&rst
ixpk= 2165, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1075,1076,
igr2=1127,1128,
&end
#
# 0 AMB 10-2:0 0 AMB 10-1:0 6.00 (# 0:10 Double Ambig)
&rst
ixpk= 0, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 792, 793, 943, 944, 943, 944,
igr2= 724, 725, 724, 725, 724, 725,
&end
#
# 141 GLN HG+ 141 GLN HE2+ 3.50 (# 1:10 Unique 2.35, 3.14 A)
&rst
ixpk= 1, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 719, 720,
igr2= 724, 725,
&end
#
# 141 GLN HG- 141 GLN HE2+ 3.20 (# 2:10 Unique 2.35, 3.14 A)
&rst
ixpk= 2, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 719, 720,
igr2= 724, 725,
&end
#
# 0 AMB 10-2:3 0 AMB 10-1:3 6.00 (# 3:10 Double Ambig)
&rst
ixpk= 3, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
igr1= 947, 948, 949, 881, 882,
igr2= 724, 725, 724, 725,
&end
#
# 152 ILE HB 141 GLN HE2+ 3.50 (# 4:10 Unique 2.29, 3.17 A)
&rst
ixpk= 4, nxpk= 10, iat= 893, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 724, 725,
&end
#
# 152 ILE QG2 141 GLN HE2+ 6.00 (# 5:10 Unique 2.75, 5.51 A)
&rst
ixpk= 5, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 895, 896, 897,
igr2= 724, 725,
&end
#
# 99 ILE HG1+ 99 ILE HN 6.00 (# 6:10 Unique 1.95, 3.42 A)
&rst
ixpk= 6, nxpk= 10, iat= -1, 38, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 48, 49,
&end
#
# 0 AMB 10-2:7 99 ILE HN 6.00 (# 7:10 Single Ambig)
&rst
ixpk= 7, nxpk= 10, iat= -1, 38, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 48, 49, 25, 26, 27,
&end
#
# 99 ILE HB 99 ILE HN 4.50 (# 8:10 Unique 2.28, 3.10 A)
&rst
ixpk= 8, nxpk= 10, iat= 42, 38, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 98 GLY HA+ 99 ILE HN 3.50 (# 9:10 Unique 2.15, 2.88 A)
&rst
ixpk= 9, nxpk= 10, iat= -1, 38, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 33, 34,
&end
#
# 99 ILE HA 99 ILE HN 6.00 (# 10:10 Unique 2.14, 2.82 A)
&rst
ixpk= 10, nxpk= 10, iat= 40, 38, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 99 ILE QG2 99 ILE HN 6.00 (# 11:10 Unique 2.11, 3.95 A)
&rst
ixpk= 11, nxpk= 10, iat= -1, 38, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 44, 45, 46,
&end
#
# 100 PRO HB+ 101 ASP HN 6.00 (# 12:10 Unique 2.71, 3.40 A)
&rst
ixpk= 12, nxpk= 10, iat= -1, 71, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 64, 65,
&end
#
# 100 PRO HA 101 ASP HN 3.50 (# 13:10 Unique 2.19, 2.55 A)
&rst
ixpk= 13, nxpk= 10, iat= 67, 71, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 101 ASP HA 101 ASP HN 4.50 (# 14:10 Unique 2.76, 2.86 A)
&rst
ixpk= 14, nxpk= 10, iat= 73, 71, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 101 ASP HA 102 GLY HN 3.50 (# 15:10 Unique 2.13, 3.02 A)
&rst
ixpk= 15, nxpk= 10, iat= 73, 83, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:16 102 GLY HN 6.00 (# 16:10 Single Ambig)
&rst
ixpk= 16, nxpk= 10, iat= -1, 83, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 75, 76, 75, 76,
&end
#
# 0 AMB 10-2:17 102 GLY HN 2.80 (# 17:10 Single Ambig)
&rst
ixpk= 17, nxpk= 10, iat= -1, 83, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 85, 86, 85, 86,
&end
#
# 0 AMB 10-2:18 103 THR HN 4.50 (# 18:10 Single Ambig)
&rst
ixpk= 18, nxpk= 10, iat= -1, 90, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 100, 96, 97, 98,
&end
#
# 0 AMB 10-2:19 103 THR HN 3.50 (# 19:10 Single Ambig)
&rst
ixpk= 19, nxpk= 10, iat= -1, 90, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 85, 86, 85, 86,
&end
#
# 103 THR HB 103 THR HN 4.50 (# 20:10 Unique 2.28, 3.27 A)
&rst
ixpk= 20, nxpk= 10, iat= 94, 90, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:21 104 THR HN 4.50 (# 21:10 Single Ambig)
&rst
ixpk= 21, nxpk= 10, iat= -1, 104, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 110, 111, 112, 114, 100, 96, 97, 98,
&end
#
# 0 AMB 10-2:22 104 THR HN 4.50 (# 22:10 Single Ambig)
&rst
ixpk= 22, nxpk= 10, iat= -1, 104, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 108, 94,
&end
#
# 103 THR HA 104 THR HN 3.50 (# 23:10 Unique 2.10, 2.87 A)
&rst
ixpk= 23, nxpk= 10, iat= 92, 104, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:24 105 ARG HN 6.00 (# 24:10 Single Ambig)
&rst
ixpk= 24, nxpk= 10, iat= -1, 118, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr1= 96, 97, 98, 110, 111, 112, 114,
&end
#
# 0 AMB 10-2:25 105 ARG HN 6.00 (# 25:10 Single Ambig)
&rst
ixpk= 25, nxpk= 10, iat= -1, 118, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 125, 126, 125, 126,
&end
#
# 0 AMB 10-2:26 105 ARG HN 4.50 (# 26:10 Single Ambig)
&rst
ixpk= 26, nxpk= 10, iat= -1, 118, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 122, 123, 146, 147,
&end
#
# 0 AMB 10-2:27 105 ARG HN 2.80 (# 27:10 Single Ambig)
&rst
ixpk= 27, nxpk= 10, iat= -1, 118, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 106, 120,
&end
#
# 0 AMB 10-2:28 108 ARG HN 2.80 (# 28:10 Single Ambig)
&rst
ixpk= 28, nxpk= 10, iat= -1, 190, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 168, 192,
&end
#
# 0 AMB 10-2:29 108 ARG HN 3.50 (# 29:10 Single Ambig)
&rst
ixpk= 29, nxpk= 10, iat= -1, 190, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 194, 195, 170, 171,
&end
#
# 0 AMB 10-2:30 108 ARG HN 4.50 (# 30:10 Single Ambig)
&rst
ixpk= 30, nxpk= 10, iat= -1, 190, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 197, 198, 197, 198, 173, 174, 173, 174,
&end
#
# 0 AMB 10-2:31 108 ARG HN 8.00 (# 31:10 Single Ambig)
&rst
ixpk= 31, nxpk= 10, iat= -1, 190, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 176, 177, 176, 177,
&end
#
# 0 AMB 10-2:32 107 ARG HN 4.50 (# 32:10 Single Ambig)
&rst
ixpk= 32, nxpk= 10, iat= -1, 166, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 173, 174, 173, 174, 149, 150, 125, 126, 125, 126,
&end
#
# 0 AMB 10-2:33 107 ARG HN 6.00 (# 33:10 Single Ambig)
&rst
ixpk= 33, nxpk= 10, iat= -1, 166, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1= 176, 177, 176, 177, 152, 153, 152, 153, 128, 129,
&end
#
# 0 AMB 10-2:34 107 ARG HN 2.80 (# 34:10 Single Ambig)
&rst
ixpk= 34, nxpk= 10, iat= -1, 166, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 144, 168, 106, 120,
&end
#
# 0 AMB 10-2:35 107 ARG HN 8.00 (# 35:10 Single Ambig)
&rst
ixpk= 35, nxpk= 10, iat= -1, 166, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 114, 110, 111, 112,
&end
#
# 0 AMB 10-2:36 106 ARG HN 4.50 (# 36:10 Single Ambig)
&rst
ixpk= 36, nxpk= 10, iat= -1, 142, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 149, 150, 149, 150, 125, 126, 125, 126,
&end
#
# 0 AMB 10-2:37 0 AMB 10-1:37 2.80 (# 37:10 Double Ambig)
&rst
ixpk= 37, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1= 146, 147, 146, 147,1416, 122, 123,
igr2= 142,1412,
&end
#
# 0 AMB 10-2:38 106 ARG HN 8.00 (# 38:10 Single Ambig)
&rst
ixpk= 38, nxpk= 10, iat= -1, 142, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1= 152, 153, 152, 153, 176, 177, 176, 177, 128, 129,
128, 129,
&end
#
# 0 AMB 10-2:39 106 ARG HN 2.80 (# 39:10 Single Ambig)
&rst
ixpk= 39, nxpk= 10, iat= -1, 142, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 120, 144, 106,
&end
#
# 0 AMB 10-2:40 109 GLY HN 6.00 (# 40:10 Single Ambig)
&rst
ixpk= 40, nxpk= 10, iat= -1, 214, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 194, 195, 170, 171,
&end
#
# 0 AMB 10-2:41 109 GLY HN 2.80 (# 41:10 Single Ambig)
&rst
ixpk= 41, nxpk= 10, iat= -1, 214, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 216, 217, 216, 217,
&end
#
# 108 ARG HA 109 GLY HN 3.50 (# 42:10 Unique 2.11, 2.75 A)
&rst
ixpk= 42, nxpk= 10, iat= 192, 214, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:43 110 THR HN 4.50 (# 43:10 Single Ambig)
&rst
ixpk= 43, nxpk= 10, iat= -1, 221, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 227, 228, 229, 231,
&end
#
# 0 AMB 10-2:44 110 THR HN 2.80 (# 44:10 Single Ambig)
&rst
ixpk= 44, nxpk= 10, iat= -1, 221, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 216, 217, 216, 217,
&end
#
# 110 THR HB 110 THR HN 4.50 (# 45:10 Unique 2.39, 3.27 A)
&rst
ixpk= 45, nxpk= 10, iat= 225, 221, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:46 110 THR HN 4.50 (# 46:10 Single Ambig)
&rst
ixpk= 46, nxpk= 10, iat= -1, 221, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 223, 192,
&end
#
# 111 ALA HN 110 THR HN 6.00 (# 47:10 Unique 2.57, 3.86 A)
&rst
ixpk= 47, nxpk= 10, iat= 235, 221, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:48 110 THR HN 6.00 (# 48:10 Single Ambig)
&rst
ixpk= 48, nxpk= 10, iat= -1, 221, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 214, 245,
&end
#
# 0 AMB 10-2:49 111 ALA HN 6.00 (# 49:10 Single Ambig)
&rst
ixpk= 49, nxpk= 10, iat= -1, 235, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 227, 228, 229, 231,
&end
#
# 111 ALA MB 111 ALA HN 2.80 (# 50:10 Unique 2.45, 2.99 A)
&rst
ixpk= 50, nxpk= 10, iat= -1, 235, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 239, 240, 241,
&end
#
# 0 AMB 10-2:51 111 ALA HN 2.80 (# 51:10 Single Ambig)
&rst
ixpk= 51, nxpk= 10, iat= -1, 235, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 223, 237,
&end
#
# 110 THR HB 111 ALA HN 6.00 (# 52:10 Unique 2.65, 3.79 A)
&rst
ixpk= 52, nxpk= 10, iat= 225, 235, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 110 THR HN 111 ALA HN 6.00 (# 53:10 Unique 2.57, 3.86 A)
&rst
ixpk= 53, nxpk= 10, iat= 221, 235, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 111 ALA MB 112 ARG HN 3.50 (# 54:10 Unique 2.47, 3.66 A)
&rst
ixpk= 54, nxpk= 10, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 239, 240, 241,
&end
#
# 112 ARG HB+ 112 ARG HN 4.50 (# 55:10 Unique 2.29, 3.12 A)
&rst
ixpk= 55, nxpk= 10, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 249, 250,
&end
#
# 0 AMB 10-2:56 112 ARG HN 4.50 (# 56:10 Single Ambig)
&rst
ixpk= 56, nxpk= 10, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 252, 253, 252, 253,
&end
#
# 0 AMB 10-2:57 112 ARG HN 8.00 (# 57:10 Single Ambig)
&rst
ixpk= 57, nxpk= 10, iat= -1, 245, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 255, 256, 255, 256,
&end
#
# 113 PRO HD- 112 ARG HN 8.00 (# 58:10 Unique 4.47, 5.05 A)
&rst
ixpk= 58, nxpk= 10, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 270, 271,
&end
#
# 113 PRO HD+ 112 ARG HN 6.00 (# 59:10 Unique 4.47, 5.05 A)
&rst
ixpk= 59, nxpk= 10, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 270, 271,
&end
#
# 115 SER HB+ 112 ARG HN 6.00 (# 60:10 Unique 2.58, 4.99 A)
&rst
ixpk= 60, nxpk= 10, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 294, 295,
&end
#
# 111 ALA HA 112 ARG HN 3.50 (# 61:10 Unique 2.17, 2.35 A)
&rst
ixpk= 61, nxpk= 10, iat= 237, 245, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 112 ARG HA 112 ARG HN 4.50 (# 62:10 Unique 2.83, 2.93 A)
&rst
ixpk= 62, nxpk= 10, iat= 247, 245, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 118 ALA MB 114 GLY HN 6.00 (# 63:10 Unique 2.88, 5.07 A)
&rst
ixpk= 63, nxpk= 10, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 337, 338, 339,
&end
#
# 113 PRO HB+ 114 GLY HN 8.00 (# 64:10 Unique 2.58, 3.39 A)
&rst
ixpk= 64, nxpk= 10, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 276, 277,
&end
#
# 113 PRO HB- 114 GLY HN 6.00 (# 65:10 Unique 2.58, 3.39 A)
&rst
ixpk= 65, nxpk= 10, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 276, 277,
&end
#
# 113 PRO HD- 114 GLY HN 8.00 (# 66:10 Unique 2.67, 4.64 A)
&rst
ixpk= 66, nxpk= 10, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 270, 271,
&end
#
# 114 GLY HA- 114 GLY HN 3.50 (# 67:10 Unique 2.28, 2.60 A)
&rst
ixpk= 67, nxpk= 10, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 285, 286,
&end
#
# 113 PRO HA 114 GLY HN 3.50 (# 68:10 Unique 2.28, 2.88 A)
&rst
ixpk= 68, nxpk= 10, iat= 279, 283, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 114 GLY HA+ 114 GLY HN 3.50 (# 69:10 Unique 2.28, 2.60 A)
&rst
ixpk= 69, nxpk= 10, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 285, 286,
&end
#
# 115 SER HN 114 GLY HN 8.00 (# 70:10 Unique 2.60, 2.99 A)
&rst
ixpk= 70, nxpk= 10, iat= 290, 283, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 118 ALA MB 115 SER HN 4.50 (# 71:10 Unique 2.03, 3.65 A)
&rst
ixpk= 71, nxpk= 10, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 337, 338, 339,
&end
#
# 0 AMB 10-2:72 115 SER HN 2.80 (# 72:10 Single Ambig)
&rst
ixpk= 72, nxpk= 10, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 285, 286, 294, 295,
&end
#
# 115 SER HA 115 SER HN 3.50 (# 73:10 Unique 2.82, 2.87 A)
&rst
ixpk= 73, nxpk= 10, iat= 292, 290, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 115 SER HB- 115 SER HN 4.50 (# 74:10 Unique 2.35, 2.77 A)
&rst
ixpk= 74, nxpk= 10, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 294, 295,
&end
#
# 114 GLY HN 115 SER HN 6.00 (# 75:10 Unique 2.60, 2.99 A)
&rst
ixpk= 75, nxpk= 10, iat= 283, 290, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 117 ALA HN 116 LYS HN 6.00 (# 76:10 Unique 2.76, 2.88 A)
&rst
ixpk= 76, nxpk= 10, iat= 323, 301, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 115 SER HA 116 LYS HN 3.50 (# 77:10 Unique 2.14, 2.30 A)
&rst
ixpk= 77, nxpk= 10, iat= 292, 301, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 115 SER HB- 116 LYS HN 6.00 (# 78:10 Unique 2.39, 3.73 A)
&rst
ixpk= 78, nxpk= 10, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 294, 295,
&end
#
# 0 AMB 10-2:79 116 LYS HN 8.00 (# 79:10 Single Ambig)
&rst
ixpk= 79, nxpk= 10, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 325, 345,
&end
#
# 0 AMB 10-2:80 116 LYS HN 3.50 (# 80:10 Single Ambig)
&rst
ixpk= 80, nxpk= 10, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 294, 295, 303,
&end
#
# 116 LYS HB- 116 LYS HN 3.50 (# 81:10 Unique 2.34, 2.76 A)
&rst
ixpk= 81, nxpk= 10, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 305, 306,
&end
#
# 116 LYS HG- 116 LYS HN 6.00 (# 82:10 Unique 2.20, 3.69 A)
&rst
ixpk= 82, nxpk= 10, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 308, 309,
&end
#
# 116 LYS HB+ 116 LYS HN 4.50 (# 83:10 Unique 2.34, 2.76 A)
&rst
ixpk= 83, nxpk= 10, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 305, 306,
&end
#
# 116 LYS HG+ 116 LYS HN 6.00 (# 84:10 Unique 2.20, 3.69 A)
&rst
ixpk= 84, nxpk= 10, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 308, 309,
&end
#
# 0 AMB 10-2:85 116 LYS HN 8.00 (# 85:10 Single Ambig)
&rst
ixpk= 85, nxpk= 10, iat= -1, 301, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 314, 315, 314, 315,
&end
#
# 120 LEU MDY 117 ALA HN 6.00 (# 86:10 Unique 4.30, 6.88 A)
&rst
ixpk= 86, nxpk= 10, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 374, 375, 376, 378, 379, 380,
&end
#
# 117 ALA MB 117 ALA HN 2.80 (# 87:10 Unique 2.47, 2.87 A)
&rst
ixpk= 87, nxpk= 10, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 327, 328, 329,
&end
#
# 116 LYS HB- 117 ALA HN 4.50 (# 88:10 Unique 2.47, 3.32 A)
&rst
ixpk= 88, nxpk= 10, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 305, 306,
&end
#
# 0 AMB 10-2:89 117 ALA HN 4.50 (# 89:10 Single Ambig)
&rst
ixpk= 89, nxpk= 10, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 294, 295, 303,
&end
#
# 117 ALA HA 117 ALA HN 3.50 (# 90:10 Unique 2.85, 2.87 A)
&rst
ixpk= 90, nxpk= 10, iat= 325, 323, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 115 SER HB- 117 ALA HN 4.50 (# 91:10 Unique 2.95, 4.22 A)
&rst
ixpk= 91, nxpk= 10, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 294, 295,
&end
#
# 115 SER HA 117 ALA HN 6.00 (# 92:10 Unique 4.09, 4.41 A)
&rst
ixpk= 92, nxpk= 10, iat= 292, 323, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 118 ALA HN 117 ALA HN 3.20 (# 93:10 Unique 2.66, 2.76 A)
&rst
ixpk= 93, nxpk= 10, iat= 333, 323, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 116 LYS HN 117 ALA HN 6.00 (# 94:10 Unique 2.76, 2.88 A)
&rst
ixpk= 94, nxpk= 10, iat= 301, 323, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:95 118 ALA HN 2.80 (# 95:10 Single Ambig)
&rst
ixpk= 95, nxpk= 10, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 337, 338, 339, 327, 328, 329,
&end
#
# 0 AMB 10-2:96 118 ALA HN 6.00 (# 96:10 Single Ambig)
&rst
ixpk= 96, nxpk= 10, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 347, 348, 388, 389, 305, 306,
&end
#
# 119 LYS HB- 118 ALA HN 6.00 (# 97:10 Unique 4.54, 5.17 A)
&rst
ixpk= 97, nxpk= 10, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 347, 348,
&end
#
# 0 AMB 10-2:98 118 ALA HN 3.20 (# 98:10 Single Ambig)
&rst
ixpk= 98, nxpk= 10, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1= 335, 285, 286,
&end
#
# 115 SER HA 118 ALA HN 6.00 (# 99:10 Unique 4.39, 4.64 A)
&rst
ixpk= 99, nxpk= 10, iat= 292, 333, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:100 118 ALA HN 3.50 (# 100:10 Single Ambig)
&rst
ixpk= 100, nxpk= 10, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 343, 290,
&end
#
# 0 AMB 10-2:101 118 ALA HN 3.50 (# 101:10 Single Ambig)
&rst
ixpk= 101, nxpk= 10, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 323, 365,
&end
#
# 0 AMB 10-2:102 0 AMB 10-1:102 3.50 (# 102:10 Double Ambig)
&rst
ixpk= 102, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 337, 338, 339,1536,1537,
igr2= 343,1551,
&end
#
# 0 AMB 10-2:103 0 AMB 10-1:103 2.80 (# 103:10 Double Ambig)
&rst
ixpk= 103, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 347, 348, 733, 734, 733, 734,
igr2= 343, 751,
&end
#
# 119 LYS HB+ 119 LYS HN 3.20 (# 104:10 Unique 2.13, 2.63 A)
&rst
ixpk= 104, nxpk= 10, iat= -1, 343, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 347, 348,
&end
#
# 143 GLU HG- 143 GLU HN 6.00 (# 105:10 Unique 2.34, 3.04 A)
&rst
ixpk= 105, nxpk= 10, iat= -1, 751, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 758, 759,
&end
#
# 0 AMB 10-2:106 119 LYS HN 3.20 (# 106:10 Single Ambig)
&rst
ixpk= 106, nxpk= 10, iat= -1, 343, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 345, 335, 285, 286,
&end
#
# 0 AMB 10-2:107 0 AMB 10-1:107 3.50 (# 107:10 Double Ambig)
&rst
ixpk= 107, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 365,1503, 323,
igr2= 343,1551,
&end
#
# 120 LEU MDX 120 LEU HN 6.00 (# 108:10 Unique 2.68, 4.63 A)
&rst
ixpk= 108, nxpk= 10, iat= -1, 365, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 374, 375, 376, 378, 379, 380,
&end
#
# 0 AMB 10-2:109 0 AMB 10-1:109 6.00 (# 109:10 Double Ambig)
&rst
ixpk= 109, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 374, 375, 376, 378, 379, 380,1425,1426,1427,
igr2= 365,1173,
&end
#
# 0 AMB 10-2:110 0 AMB 10-1:110 4.50 (# 110:10 Double Ambig)
&rst
ixpk= 110, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1179,1180,1181,1183,1184,1185, 864, 865, 866, 868,
869, 870,
igr2=1173, 365,
&end
#
# 120 LEU HB+ 120 LEU HN 3.50 (# 111:10 Unique 2.23, 2.83 A)
&rst
ixpk= 111, nxpk= 10, iat= -1, 365, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 369, 370,
&end
#
# 0 AMB 10-2:112 0 AMB 10-1:112 3.50 (# 112:10 Double Ambig)
&rst
ixpk= 112, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1=1303,1304,1215,1216,1199,1200,1196,1197, 391, 392,
862,
igr2=1247,1173, 365,
&end
#
# 0 AMB 10-2:113 0 AMB 10-1:113 3.50 (# 113:10 Double Ambig)
&rst
ixpk= 113, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 372,1237,1238, 350, 351,1199,1200,
igr2= 365,1247,1173,
&end
#
# 0 AMB 10-2:114 0 AMB 10-1:114 6.00 (# 114:10 Double Ambig)
&rst
ixpk= 114, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.75, r4=11.25,
igr1=1215,1216, 353, 354, 353, 354,1193,1194,1360,1361,
1416,
igr2=1247, 365,1173,
&end
#
# 0 AMB 10-2:115 0 AMB 10-1:115 3.50 (# 115:10 Double Ambig)
&rst
ixpk= 115, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 347, 348,1162,1163,
igr2= 365,1173,
&end
#
# 0 AMB 10-2:116 0 AMB 10-1:116 3.20 (# 116:10 Double Ambig)
&rst
ixpk= 116, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 369, 370,1240,1241,
igr2= 365,1247,
&end
#
# 191 GLU HB+ 191 GLU HN 3.50 (# 117:10 Unique 2.26, 2.70 A)
&rst
ixpk= 117, nxpk= 10, iat= -1,1517, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1521,1522,
&end
#
# 0 AMB 10-2:118 0 AMB 10-1:118 3.50 (# 118:10 Double Ambig)
&rst
ixpk= 118, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1521,1522,1162,1163,1240,1241,
igr2=1517,1173,1247,
&end
#
# 0 AMB 10-2:119 169 VAL HN 3.20 (# 119:10 Single Ambig)
&rst
ixpk= 119, nxpk= 10, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1=1165,1166,1177,
&end
#
# 0 AMB 10-2:120 0 AMB 10-1:120 4.50 (# 120:10 Double Ambig)
&rst
ixpk= 120, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1524,1525,1524,1525,1165,1166,1251,1252,
igr2=1517,1173,1247,
&end
#
# 166 TYR HB- 169 VAL HN 4.50 (# 121:10 Unique 3.19, 3.63 A)
&rst
ixpk= 121, nxpk= 10, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1127,1128,
&end
#
# 0 AMB 10-2:122 0 AMB 10-1:122 3.50 (# 122:10 Double Ambig)
&rst
ixpk= 122, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1251,1252,1202,1203,
igr2=1247,1173,
&end
#
# 120 LEU HA 120 LEU HN 3.20 (# 123:10 Unique 2.84, 2.88 A)
&rst
ixpk= 123, nxpk= 10, iat= 367, 365, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 0 AMB 10-2:124 0 AMB 10-1:124 4.50 (# 124:10 Double Ambig)
&rst
ixpk= 124, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 325,1243, 345, 335,
igr2= 365,1247,
&end
#
# 0 AMB 10-2:125 0 AMB 10-1:125 3.20 (# 125:10 Double Ambig)
&rst
ixpk= 125, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1=1519,1175,
igr2=1517,1173,
&end
#
# 173 TYR HA 173 TYR HN 3.20 (# 126:10 Unique 2.89, 2.93 A)
&rst
ixpk= 126, nxpk= 10, iat=1249,1247, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 190 ASN HA 191 GLU HN 3.50 (# 127:10 Unique 2.15, 2.68 A)
&rst
ixpk= 127, nxpk= 10, iat=1505,1517, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 119 LYS HN 120 LEU HN 2.80 (# 128:10 Unique 2.67, 2.79 A)
&rst
ixpk= 128, nxpk= 10, iat= 343, 365, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:129 120 LEU HN 6.00 (# 129:10 Single Ambig)
&rst
ixpk= 129, nxpk= 10, iat= -1, 365, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 333, 855,
&end
#
# 168 GLU HN 169 VAL HN 3.50 (# 130:10 Unique 2.56, 2.63 A)
&rst
ixpk= 130, nxpk= 10, iat=1158,1173, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 120 LEU HB+ 121 ARG HN 6.00 (# 131:10 Unique 2.50, 3.11 A)
&rst
ixpk= 131, nxpk= 10, iat= -1, 384, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 369, 370,
&end
#
# 121 ARG HG+ 121 ARG HN 4.50 (# 132:10 Unique 2.43, 4.15 A)
&rst
ixpk= 132, nxpk= 10, iat= -1, 384, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 391, 392,
&end
#
# 120 LEU HG 121 ARG HN 6.00 (# 133:10 Unique 3.52, 4.41 A)
&rst
ixpk= 133, nxpk= 10, iat= 372, 384, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 121 ARG HB+ 121 ARG HN 3.20 (# 134:10 Unique 2.24, 2.61 A)
&rst
ixpk= 134, nxpk= 10, iat= -1, 384, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 388, 389,
&end
#
# 120 LEU HB- 121 ARG HN 3.50 (# 135:10 Unique 2.50, 3.11 A)
&rst
ixpk= 135, nxpk= 10, iat= -1, 384, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 369, 370,
&end
#
# 121 ARG HB- 121 ARG HN 2.80 (# 136:10 Unique 2.24, 2.61 A)
&rst
ixpk= 136, nxpk= 10, iat= -1, 384, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 388, 389,
&end
#
# 0 AMB 10-2:137 121 ARG HN 6.00 (# 137:10 Single Ambig)
&rst
ixpk= 137, nxpk= 10, iat= -1, 384, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 367, 410,
&end
#
# 0 AMB 10-2:138 121 ARG HN 3.20 (# 138:10 Single Ambig)
&rst
ixpk= 138, nxpk= 10, iat= -1, 384, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1= 386, 335, 345,
&end
#
# 0 AMB 10-2:139 121 ARG HN 6.00 (# 139:10 Single Ambig)
&rst
ixpk= 139, nxpk= 10, iat= -1, 384, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 343, 423,
&end
#
# 158 PHE HE 121 ARG HN 6.00 (# 140:10 Unique 2.86, 4.89 A)
&rst
ixpk= 140, nxpk= 10, iat= -1, 384, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 991, 995,
&end
#
# 158 PHE HZ 121 ARG HN 8.00 (# 141:10 Unique 3.77, 4.08 A)
&rst
ixpk= 141, nxpk= 10, iat= 993, 384, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 122 GLU HG+ 122 GLU HN 4.50 (# 142:10 Unique 2.39, 3.79 A)
&rst
ixpk= 142, nxpk= 10, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 415, 416,
&end
#
# 0 AMB 10-2:143 0 AMB 10-1:143 2.80 (# 143:10 Double Ambig)
&rst
ixpk= 143, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 521, 522, 521, 522, 388, 389,
igr2= 517, 408,
&end
#
# 122 GLU HG- 122 GLU HN 4.50 (# 144:10 Unique 2.39, 3.79 A)
&rst
ixpk= 144, nxpk= 10, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 415, 416,
&end
#
# 0 AMB 10-2:145 122 GLU HN 2.80 (# 145:10 Single Ambig)
&rst
ixpk= 145, nxpk= 10, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 412, 413, 412, 413,
&end
#
# 0 AMB 10-2:146 0 AMB 10-1:146 6.00 (# 146:10 Double Ambig)
&rst
ixpk= 146, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.27, r4=11.77,
igr1= 507, 508, 509, 511, 512, 513, 453, 454,1055,1056,
1057,1059,1060,1061,1055,1056,1057,1059,1060,1061,
453, 454,
igr2= 517, 408,
&end
#
# 0 AMB 10-2:147 129 LYS HN 6.00 (# 147:10 Single Ambig)
&rst
ixpk= 147, nxpk= 10, iat= -1, 517, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1365,1366,1367,1369,1370,1371, 507, 508, 509, 511,
512, 513,
&end
#
# 0 AMB 10-2:148 0 AMB 10-1:148 6.00 (# 148:10 Double Ambig)
&rst
ixpk= 148, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1= 391, 392,1363, 350, 351,
igr2= 408, 517,
&end
#
# 0 AMB 10-2:149 129 LYS HN 3.50 (# 149:10 Single Ambig)
&rst
ixpk= 149, nxpk= 10, iat= -1, 517, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 524, 525, 527, 528, 527, 528,
&end
#
# 0 AMB 10-2:150 122 GLU HN 3.20 (# 150:10 Single Ambig)
&rst
ixpk= 150, nxpk= 10, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 410, 367,
&end
#
# 130 ARG HN 129 LYS HN 6.00 (# 151:10 Unique 2.58, 2.71 A)
&rst
ixpk= 151, nxpk= 10, iat= 539, 517, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:152 0 AMB 10-1:152 2.80 (# 152:10 Double Ambig)
&rst
ixpk= 152, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 423, 462, 343, 443,
igr2= 408, 517,
&end
#
# 124 ALA HN 122 GLU HN 6.00 (# 153:10 Unique 4.17, 4.30 A)
&rst
ixpk= 153, nxpk= 10, iat= 433, 408, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 128 LEU HN 129 LYS HN 6.00 (# 154:10 Unique 2.54, 2.73 A)
&rst
ixpk= 154, nxpk= 10, iat= 498, 517, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 124 ALA HN 123 ALA HN 3.20 (# 155:10 Unique 2.81, 2.87 A)
&rst
ixpk= 155, nxpk= 10, iat= 433, 423, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 0 AMB 10-2:156 123 ALA HN 3.20 (# 156:10 Single Ambig)
&rst
ixpk= 156, nxpk= 10, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 408, 384,
&end
#
# 123 ALA HA 123 ALA HN 3.20 (# 157:10 Unique 2.82, 2.84 A)
&rst
ixpk= 157, nxpk= 10, iat= 425, 423, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 0 AMB 10-2:158 123 ALA HN 3.50 (# 158:10 Single Ambig)
&rst
ixpk= 158, nxpk= 10, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 367, 410,
&end
#
# 0 AMB 10-2:159 123 ALA HN 8.00 (# 159:10 Single Ambig)
&rst
ixpk= 159, nxpk= 10, iat= -1, 423, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 841, 842, 841, 842,
&end
#
# 122 GLU HG- 123 ALA HN 6.00 (# 160:10 Unique 2.62, 4.22 A)
&rst
ixpk= 160, nxpk= 10, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 415, 416,
&end
#
# 0 AMB 10-2:161 123 ALA HN 2.80 (# 161:10 Single Ambig)
&rst
ixpk= 161, nxpk= 10, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 412, 413, 412, 413,
&end
#
# 123 ALA MB 123 ALA HN 2.80 (# 162:10 Unique 2.36, 2.84 A)
&rst
ixpk= 162, nxpk= 10, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 427, 428, 429,
&end
#
# 0 AMB 10-2:163 123 ALA HN 6.00 (# 163:10 Single Ambig)
&rst
ixpk= 163, nxpk= 10, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 415, 416, 829, 830,
&end
#
# 125 ILE HG1+ 123 ALA HN 8.00 (# 164:10 Unique 5.94, 6.83 A)
&rst
ixpk= 164, nxpk= 10, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 453, 454,
&end
#
# 144 ILE QG2 123 ALA HN 6.00 (# 165:10 Unique 4.54, 5.66 A)
&rst
ixpk= 165, nxpk= 10, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 772, 773, 774,
&end
#
# 0 AMB 10-2:166 124 ALA HN 4.50 (# 166:10 Single Ambig)
&rst
ixpk= 166, nxpk= 10, iat= -1, 433, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 772, 773, 774,1053,
&end
#
# 0 AMB 10-2:167 124 ALA HN 6.00 (# 167:10 Single Ambig)
&rst
ixpk= 167, nxpk= 10, iat= -1, 433, r1= 1.30, r2= 1.80, r3= 9.31, r4= 9.81,
igr1=1055,1056,1057,1059,1060,1061,1055,1056,1057,1059,
1060,1061, 453, 454,
&end
#
# 0 AMB 10-2:168 124 ALA HN 6.00 (# 168:10 Single Ambig)
&rst
ixpk= 168, nxpk= 10, iat= -1, 433, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 453, 454, 469, 470,
&end
#
# 123 ALA MB 124 ALA HN 3.20 (# 169:10 Unique 2.66, 3.52 A)
&rst
ixpk= 169, nxpk= 10, iat= -1, 433, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1= 427, 428, 429,
&end
#
# 124 ALA MB 124 ALA HN 2.80 (# 170:10 Unique 2.44, 2.87 A)
&rst
ixpk= 170, nxpk= 10, iat= -1, 433, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 437, 438, 439,
&end
#
# 0 AMB 10-2:171 124 ALA HN 6.00 (# 171:10 Single Ambig)
&rst
ixpk= 171, nxpk= 10, iat= -1, 433, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 447, 466, 467, 502, 503,
&end
#
# 0 AMB 10-2:172 124 ALA HN 6.00 (# 172:10 Single Ambig)
&rst
ixpk= 172, nxpk= 10, iat= -1, 433, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 776, 777, 391, 392,
&end
#
# 0 AMB 10-2:173 124 ALA HN 8.00 (# 173:10 Single Ambig)
&rst
ixpk= 173, nxpk= 10, iat= -1, 433, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 445, 714,
&end
#
# 0 AMB 10-2:174 124 ALA HN 3.20 (# 174:10 Single Ambig)
&rst
ixpk= 174, nxpk= 10, iat= -1, 433, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1= 435, 367, 410,
&end
#
# 0 AMB 10-2:175 124 ALA HN 4.50 (# 175:10 Single Ambig)
&rst
ixpk= 175, nxpk= 10, iat= -1, 433, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 425, 488,
&end
#
# 121 ARG HA 124 ALA HN 4.50 (# 176:10 Unique 3.16, 3.45 A)
&rst
ixpk= 176, nxpk= 10, iat= 386, 433, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 158 PHE HZ 124 ALA HN 8.00 (# 177:10 Unique 3.49, 3.66 A)
&rst
ixpk= 177, nxpk= 10, iat= 993, 433, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 158 PHE HE 124 ALA HN 8.00 (# 178:10 Unique 4.79, 5.30 A)
&rst
ixpk= 178, nxpk= 10, iat= -1, 433, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 991, 995,
&end
#
# 0 AMB 10-2:179 124 ALA HN 2.80 (# 179:10 Single Ambig)
&rst
ixpk= 179, nxpk= 10, iat= -1, 433, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 443, 423,
&end
#
# 0 AMB 10-2:180 124 ALA HN 6.00 (# 180:10 Single Ambig)
&rst
ixpk= 180, nxpk= 10, iat= -1, 433, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 408, 384, 837,
&end
#
# 124 ALA HN 125 ILE HN 4.50 (# 181:10 Unique 2.76, 2.84 A)
&rst
ixpk= 181, nxpk= 10, iat= 433, 443, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:182 125 ILE HN 8.00 (# 182:10 Single Ambig)
&rst
ixpk= 182, nxpk= 10, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 425, 488,
&end
#
# 0 AMB 10-2:183 125 ILE HN 4.50 (# 183:10 Single Ambig)
&rst
ixpk= 183, nxpk= 10, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 410, 435,
&end
#
# 125 ILE HA 125 ILE HN 3.50 (# 184:10 Unique 2.85, 2.88 A)
&rst
ixpk= 184, nxpk= 10, iat= 445, 443, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 125 ILE HB 125 ILE HN 2.80 (# 185:10 Unique 2.34, 2.42 A)
&rst
ixpk= 185, nxpk= 10, iat= 447, 443, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:186 125 ILE HN 6.00 (# 186:10 Single Ambig)
&rst
ixpk= 186, nxpk= 10, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 466, 467,1050,1051,
&end
#
# 124 ALA MB 125 ILE HN 3.20 (# 187:10 Unique 2.46, 3.37 A)
&rst
ixpk= 187, nxpk= 10, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1= 437, 438, 439,
&end
#
# 125 ILE HG1- 125 ILE HN 3.50 (# 188:10 Unique 2.28, 3.04 A)
&rst
ixpk= 188, nxpk= 10, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 453, 454,
&end
#
# 0 AMB 10-2:189 125 ILE HN 3.50 (# 189:10 Single Ambig)
&rst
ixpk= 189, nxpk= 10, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 453, 454,1055,1056,1057,1059,1060,1061,1055,1056,
1057,1059,1060,1061,
&end
#
# 0 AMB 10-2:190 125 ILE HN 4.50 (# 190:10 Single Ambig)
&rst
ixpk= 190, nxpk= 10, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1= 507, 508, 509, 511, 512, 513, 449, 450, 451,1053,
772, 773, 774,
&end
#
# 125 ILE QD1 125 ILE HN 6.00 (# 191:10 Unique 3.31, 4.26 A)
&rst
ixpk= 191, nxpk= 10, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 456, 457, 458,
&end
#
# 0 AMB 10-2:192 127 THR HN 6.00 (# 192:10 Single Ambig)
&rst
ixpk= 192, nxpk= 10, iat= -1, 484, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1= 507, 508, 509, 511, 512, 513, 772, 773, 774, 700,
&end
#
# 140 LEU MDX 127 THR HN 6.00 (# 193:10 Unique 5.04, 7.03 A)
&rst
ixpk= 193, nxpk= 10, iat= -1, 484, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 702, 703, 704, 706, 707, 708,
&end
#
# 127 THR HG1 127 THR HN 3.50 (# 194:10 Unique 2.06, 2.14 A)
&rst
ixpk= 194, nxpk= 10, iat= 494, 484, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:195 127 THR HN 6.00 (# 195:10 Single Ambig)
&rst
ixpk= 195, nxpk= 10, iat= -1, 484, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 472, 473, 472, 473, 527, 528, 527, 528,
&end
#
# 126 LYS HB- 127 THR HN 3.20 (# 196:10 Unique 2.35, 3.17 A)
&rst
ixpk= 196, nxpk= 10, iat= -1, 484, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 466, 467,
&end
#
# 126 LYS HB+ 127 THR HN 3.20 (# 197:10 Unique 2.35, 3.17 A)
&rst
ixpk= 197, nxpk= 10, iat= -1, 484, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 466, 467,
&end
#
# 125 ILE HA 127 THR HN 6.00 (# 198:10 Unique 4.45, 4.56 A)
&rst
ixpk= 198, nxpk= 10, iat= 445, 484, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 127 THR HA 127 THR HN 3.20 (# 199:10 Unique 2.83, 2.86 A)
&rst
ixpk= 199, nxpk= 10, iat= 486, 484, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 0 AMB 10-2:200 127 THR HN 3.20 (# 200:10 Single Ambig)
&rst
ixpk= 200, nxpk= 10, iat= -1, 484, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 488, 425,
&end
#
# 128 LEU HN 127 THR HN 3.20 (# 201:10 Unique 2.83, 2.88 A)
&rst
ixpk= 201, nxpk= 10, iat= 498, 484, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 129 LYS HN 128 LEU HN 2.80 (# 202:10 Unique 2.54, 2.73 A)
&rst
ixpk= 202, nxpk= 10, iat= 517, 498, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 127 THR HN 128 LEU HN 3.20 (# 203:10 Unique 2.83, 2.88 A)
&rst
ixpk= 203, nxpk= 10, iat= 484, 498, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 127 THR HB 128 LEU HN 3.20 (# 204:10 Unique 2.49, 2.57 A)
&rst
ixpk= 204, nxpk= 10, iat= 488, 498, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 128 LEU HA 128 LEU HN 3.20 (# 205:10 Unique 2.86, 2.88 A)
&rst
ixpk= 205, nxpk= 10, iat= 500, 498, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 127 THR HA 128 LEU HN 6.00 (# 206:10 Unique 3.58, 3.61 A)
&rst
ixpk= 206, nxpk= 10, iat= 486, 498, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 125 ILE HA 128 LEU HN 6.00 (# 207:10 Unique 3.17, 3.35 A)
&rst
ixpk= 207, nxpk= 10, iat= 445, 498, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 128 LEU HB+ 128 LEU HN 3.20 (# 208:10 Unique 2.28, 2.95 A)
&rst
ixpk= 208, nxpk= 10, iat= -1, 498, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 502, 503,
&end
#
# 128 LEU HG 128 LEU HN 3.50 (# 209:10 Unique 2.36, 2.49 A)
&rst
ixpk= 209, nxpk= 10, iat= 505, 498, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 128 LEU HB- 128 LEU HN 3.50 (# 210:10 Unique 2.28, 2.95 A)
&rst
ixpk= 210, nxpk= 10, iat= -1, 498, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 502, 503,
&end
#
# 129 LYS HG- 128 LEU HN 8.00 (# 211:10 Unique 4.73, 5.77 A)
&rst
ixpk= 211, nxpk= 10, iat= -1, 498, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 524, 525,
&end
#
# 0 AMB 10-2:212 128 LEU HN 6.00 (# 212:10 Single Ambig)
&rst
ixpk= 212, nxpk= 10, iat= -1, 498, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 490, 491, 492, 494,1360,1361,
&end
#
# 0 AMB 10-2:213 128 LEU HN 4.50 (# 213:10 Single Ambig)
&rst
ixpk= 213, nxpk= 10, iat= -1, 498, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 507, 508, 509, 511, 512, 513,1365,1366,1367,1369,
1370,1371, 449, 450, 451,
&end
#
# 129 LYS HG- 130 ARG HN 8.00 (# 214:10 Unique 3.41, 4.75 A)
&rst
ixpk= 214, nxpk= 10, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 524, 525,
&end
#
# 0 AMB 10-2:215 130 ARG HN 4.50 (# 215:10 Single Ambig)
&rst
ixpk= 215, nxpk= 10, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 546, 547, 524, 525,
&end
#
# 0 AMB 10-2:216 130 ARG HN 2.80 (# 216:10 Single Ambig)
&rst
ixpk= 216, nxpk= 10, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 543, 544, 521, 522, 521, 522,
&end
#
# 0 AMB 10-2:217 130 ARG HN 6.00 (# 217:10 Single Ambig)
&rst
ixpk= 217, nxpk= 10, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 549, 550, 549, 550, 567, 568,
&end
#
# 127 THR HA 130 ARG HN 6.00 (# 218:10 Unique 3.48, 3.61 A)
&rst
ixpk= 218, nxpk= 10, iat= 486, 539, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 128 LEU HA 130 ARG HN 8.00 (# 219:10 Unique 4.32, 4.49 A)
&rst
ixpk= 219, nxpk= 10, iat= 500, 539, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 130 ARG HA 130 ARG HN 3.50 (# 220:10 Unique 2.83, 2.88 A)
&rst
ixpk= 220, nxpk= 10, iat= 541, 539, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 128 LEU HN 130 ARG HN 8.00 (# 221:10 Unique 4.08, 4.25 A)
&rst
ixpk= 221, nxpk= 10, iat= 498, 539, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 129 LYS HN 130 ARG HN 6.00 (# 222:10 Unique 2.58, 2.71 A)
&rst
ixpk= 222, nxpk= 10, iat= 517, 539, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:223 131 HIS HN 3.20 (# 223:10 Single Ambig)
&rst
ixpk= 223, nxpk= 10, iat= -1, 563, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 539, 577,
&end
#
# 131 HIS HA 131 HIS HN 6.00 (# 224:10 Unique 2.94, 2.98 A)
&rst
ixpk= 224, nxpk= 10, iat= 565, 563, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 130 ARG HA 131 HIS HN 4.50 (# 225:10 Unique 3.52, 3.55 A)
&rst
ixpk= 225, nxpk= 10, iat= 541, 563, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 128 LEU HA 131 HIS HN 6.00 (# 226:10 Unique 3.14, 3.48 A)
&rst
ixpk= 226, nxpk= 10, iat= 500, 563, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 127 THR HA 131 HIS HN 8.00 (# 227:10 Unique 3.78, 4.07 A)
&rst
ixpk= 227, nxpk= 10, iat= 486, 563, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 131 HIS HB- 131 HIS HN 4.50 (# 228:10 Unique 2.32, 2.97 A)
&rst
ixpk= 228, nxpk= 10, iat= -1, 563, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 567, 568,
&end
#
# 131 HIS HB+ 131 HIS HN 3.20 (# 229:10 Unique 2.32, 2.97 A)
&rst
ixpk= 229, nxpk= 10, iat= -1, 563, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 567, 568,
&end
#
# 130 ARG HB- 131 HIS HN 6.00 (# 230:10 Unique 2.59, 3.32 A)
&rst
ixpk= 230, nxpk= 10, iat= -1, 563, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 543, 544,
&end
#
# 130 ARG HG- 131 HIS HN 8.00 (# 231:10 Unique 3.38, 4.51 A)
&rst
ixpk= 231, nxpk= 10, iat= -1, 563, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 546, 547,
&end
#
# 128 LEU MDX 131 HIS HN 8.00 (# 232:10 Unique 5.04, 7.21 A)
&rst
ixpk= 232, nxpk= 10, iat= -1, 563, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 507, 508, 509, 511, 512, 513,
&end
#
# 133 ALA MB 133 ALA HN 3.20 (# 233:10 Unique 2.43, 2.98 A)
&rst
ixpk= 233, nxpk= 10, iat= -1, 595, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1= 599, 600, 601,
&end
#
# 178 ILE QD1 133 ALA HN 6.00 (# 234:10 Unique 4.65, 5.82 A)
&rst
ixpk= 234, nxpk= 10, iat= -1, 595, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1350,1351,1352,
&end
#
# 132 ASN HB+ 133 ALA HN 6.00 (# 235:10 Unique 2.53, 3.75 A)
&rst
ixpk= 235, nxpk= 10, iat= -1, 595, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 585, 586,
&end
#
# 131 HIS HB+ 133 ALA HN 6.00 (# 236:10 Unique 2.80, 4.59 A)
&rst
ixpk= 236, nxpk= 10, iat= -1, 595, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 567, 568,
&end
#
# 131 HIS HB- 133 ALA HN 4.50 (# 237:10 Unique 2.80, 4.59 A)
&rst
ixpk= 237, nxpk= 10, iat= -1, 595, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 567, 568,
&end
#
# 133 ALA HA 133 ALA HN 3.50 (# 238:10 Unique 2.88, 2.93 A)
&rst
ixpk= 238, nxpk= 10, iat= 597, 595, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 132 ASN HA 133 ALA HN 4.50 (# 239:10 Unique 2.47, 3.38 A)
&rst
ixpk= 239, nxpk= 10, iat= 583, 595, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 134 ALA HN 133 ALA HN 8.00 (# 240:10 Unique 4.39, 4.58 A)
&rst
ixpk= 240, nxpk= 10, iat= 605, 595, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 132 ASN HN 133 ALA HN 8.00 (# 241:10 Unique 2.52, 2.80 A)
&rst
ixpk= 241, nxpk= 10, iat= 581, 595, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 178 ILE QD1 134 ALA HN 4.50 (# 242:10 Unique 2.71, 3.68 A)
&rst
ixpk= 242, nxpk= 10, iat= -1, 605, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1350,1351,1352,
&end
#
# 178 ILE HG1+ 134 ALA HN 8.00 (# 243:10 Unique 3.34, 4.94 A)
&rst
ixpk= 243, nxpk= 10, iat= -1, 605, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1347,1348,
&end
#
# 134 ALA MB 134 ALA HN 2.80 (# 244:10 Unique 2.47, 2.88 A)
&rst
ixpk= 244, nxpk= 10, iat= -1, 605, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 609, 610, 611,
&end
#
# 134 ALA HA 134 ALA HN 4.50 (# 245:10 Unique 2.80, 2.86 A)
&rst
ixpk= 245, nxpk= 10, iat= 607, 605, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 133 ALA HA 134 ALA HN 2.80 (# 246:10 Unique 2.41, 2.53 A)
&rst
ixpk= 246, nxpk= 10, iat= 597, 605, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 177 TYR HN 135 ILE HN 6.00 (# 247:10 Unique 2.84, 2.98 A)
&rst
ixpk= 247, nxpk= 10, iat=1316, 615, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 134 ALA HA 135 ILE HN 3.50 (# 248:10 Unique 2.19, 2.27 A)
&rst
ixpk= 248, nxpk= 10, iat= 607, 615, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 135 ILE HB 135 ILE HN 6.00 (# 249:10 Unique 2.82, 3.23 A)
&rst
ixpk= 249, nxpk= 10, iat= 619, 615, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 134 ALA MB 135 ILE HN 6.00 (# 250:10 Unique 2.61, 3.65 A)
&rst
ixpk= 250, nxpk= 10, iat= -1, 615, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 609, 610, 611,
&end
#
# 135 ILE QG2 135 ILE HN 3.50 (# 251:10 Unique 1.94, 3.13 A)
&rst
ixpk= 251, nxpk= 10, iat= -1, 615, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 621, 622, 623,
&end
#
# 135 ILE QD1 136 LYS HN 6.00 (# 252:10 Unique 2.51, 4.86 A)
&rst
ixpk= 252, nxpk= 10, iat= -1, 634, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 628, 629, 630,
&end
#
# 135 ILE QG2 136 LYS HN 6.00 (# 253:10 Unique 4.20, 4.93 A)
&rst
ixpk= 253, nxpk= 10, iat= -1, 634, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 621, 622, 623,
&end
#
# 135 ILE HG1- 136 LYS HN 4.50 (# 254:10 Unique 2.35, 2.86 A)
&rst
ixpk= 254, nxpk= 10, iat= -1, 634, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 625, 626,
&end
#
# 0 AMB 10-2:255 136 LYS HN 3.20 (# 255:10 Single Ambig)
&rst
ixpk= 255, nxpk= 10, iat= -1, 634, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 641, 642, 625, 626,
&end
#
# 136 LYS HG- 136 LYS HN 4.50 (# 256:10 Unique 2.19, 3.73 A)
&rst
ixpk= 256, nxpk= 10, iat= -1, 634, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 641, 642,
&end
#
# 136 LYS HB- 136 LYS HN 3.20 (# 257:10 Unique 2.30, 2.79 A)
&rst
ixpk= 257, nxpk= 10, iat= -1, 634, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 638, 639,
&end
#
# 0 AMB 10-2:258 136 LYS HN 3.50 (# 258:10 Single Ambig)
&rst
ixpk= 258, nxpk= 10, iat= -1, 634, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 638, 639, 682, 683, 682, 683,
&end
#
# 0 AMB 10-2:259 136 LYS HN 8.00 (# 259:10 Single Ambig)
&rst
ixpk= 259, nxpk= 10, iat= -1, 634, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 685, 686,1320,1321,
&end
#
# 0 AMB 10-2:260 136 LYS HN 8.00 (# 260:10 Single Ambig)
&rst
ixpk= 260, nxpk= 10, iat= -1, 634, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 647, 648, 647, 648,
&end
#
# 136 LYS HA 136 LYS HN 6.00 (# 261:10 Unique 2.87, 2.91 A)
&rst
ixpk= 261, nxpk= 10, iat= 636, 634, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 135 ILE HN 136 LYS HN 8.00 (# 262:10 Unique 4.36, 4.44 A)
&rst
ixpk= 262, nxpk= 10, iat= 615, 634, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 138 SER HN 137 SER HN 8.00 (# 263:10 Unique 2.87, 3.01 A)
&rst
ixpk= 263, nxpk= 10, iat= 667, 656, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 176 GLN HA 137 SER HN 6.00 (# 264:10 Unique 3.15, 3.35 A)
&rst
ixpk= 264, nxpk= 10, iat=1301, 656, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 136 LYS HA 137 SER HN 2.80 (# 265:10 Unique 2.19, 2.25 A)
&rst
ixpk= 265, nxpk= 10, iat= 636, 656, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 137 SER HB+ 137 SER HN 4.50 (# 266:10 Unique 2.43, 3.03 A)
&rst
ixpk= 266, nxpk= 10, iat= -1, 656, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 660, 661,
&end
#
# 0 AMB 10-2:267 137 SER HN 2.80 (# 267:10 Single Ambig)
&rst
ixpk= 267, nxpk= 10, iat= -1, 656, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 660, 661, 658,
&end
#
# 136 LYS HB+ 137 SER HN 6.00 (# 268:10 Unique 2.70, 3.72 A)
&rst
ixpk= 268, nxpk= 10, iat= -1, 656, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 638, 639,
&end
#
# 0 AMB 10-2:269 137 SER HN 6.00 (# 269:10 Single Ambig)
&rst
ixpk= 269, nxpk= 10, iat= -1, 656, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1=1306,1307, 947, 948, 949,
&end
#
# 136 LYS HB- 137 SER HN 6.00 (# 270:10 Unique 2.70, 3.72 A)
&rst
ixpk= 270, nxpk= 10, iat= -1, 656, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 638, 639,
&end
#
# 136 LYS HG- 137 SER HN 8.00 (# 271:10 Unique 2.49, 3.66 A)
&rst
ixpk= 271, nxpk= 10, iat= -1, 656, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 641, 642,
&end
#
# 136 LYS HG+ 137 SER HN 6.00 (# 272:10 Unique 2.49, 3.66 A)
&rst
ixpk= 272, nxpk= 10, iat= -1, 656, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 641, 642,
&end
#
# 0 AMB 10-2:273 138 SER HN 6.00 (# 273:10 Single Ambig)
&rst
ixpk= 273, nxpk= 10, iat= -1, 667, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 638, 639, 682, 683,
&end
#
# 136 LYS HB- 138 SER HN 8.00 (# 274:10 Unique 2.94, 4.19 A)
&rst
ixpk= 274, nxpk= 10, iat= -1, 667, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 638, 639,
&end
#
# 136 LYS HG- 138 SER HN 8.00 (# 275:10 Unique 2.12, 4.24 A)
&rst
ixpk= 275, nxpk= 10, iat= -1, 667, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 641, 642,
&end
#
# 0 AMB 10-2:276 138 SER HN 3.20 (# 276:10 Single Ambig)
&rst
ixpk= 276, nxpk= 10, iat= -1, 667, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 671, 672, 671, 672, 660, 661,
&end
#
# 137 SER HB+ 138 SER HN 6.00 (# 277:10 Unique 2.49, 3.70 A)
&rst
ixpk= 277, nxpk= 10, iat= -1, 667, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 660, 661,
&end
#
# 138 SER HA 138 SER HN 6.00 (# 278:10 Unique 2.79, 2.84 A)
&rst
ixpk= 278, nxpk= 10, iat= 669, 667, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 139 GLU HN 138 SER HN 8.00 (# 279:10 Unique 2.74, 2.84 A)
&rst
ixpk= 279, nxpk= 10, iat= 678, 667, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 137 SER HN 138 SER HN 6.00 (# 280:10 Unique 2.87, 3.01 A)
&rst
ixpk= 280, nxpk= 10, iat= 656, 667, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 138 SER HN 139 GLU HN 6.00 (# 281:10 Unique 2.74, 2.84 A)
&rst
ixpk= 281, nxpk= 10, iat= 667, 678, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:282 139 GLU HN 8.00 (# 282:10 Single Ambig)
&rst
ixpk= 282, nxpk= 10, iat= -1, 678, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 634, 656,
&end
#
# 140 LEU HN 139 GLU HN 3.20 (# 283:10 Unique 2.52, 2.69 A)
&rst
ixpk= 283, nxpk= 10, iat= 693, 678, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 138 SER HA 139 GLU HN 8.00 (# 284:10 Unique 3.56, 3.59 A)
&rst
ixpk= 284, nxpk= 10, iat= 669, 678, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 139 GLU HA 139 GLU HN 3.50 (# 285:10 Unique 2.85, 2.89 A)
&rst
ixpk= 285, nxpk= 10, iat= 680, 678, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:286 139 GLU HN 4.50 (# 286:10 Single Ambig)
&rst
ixpk= 286, nxpk= 10, iat= -1, 678, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 671, 672, 671, 672,
&end
#
# 139 GLU HG- 139 GLU HN 4.50 (# 287:10 Unique 2.16, 3.44 A)
&rst
ixpk= 287, nxpk= 10, iat= -1, 678, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 685, 686,
&end
#
# 0 AMB 10-2:288 139 GLU HN 2.80 (# 288:10 Single Ambig)
&rst
ixpk= 288, nxpk= 10, iat= -1, 678, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 682, 683, 682, 683, 638, 639,
&end
#
# 136 LYS HB- 139 GLU HN 6.00 (# 289:10 Unique 2.53, 3.54 A)
&rst
ixpk= 289, nxpk= 10, iat= -1, 678, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 638, 639,
&end
#
# 136 LYS HG- 139 GLU HN 6.00 (# 290:10 Unique 2.25, 4.34 A)
&rst
ixpk= 290, nxpk= 10, iat= -1, 678, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 641, 642,
&end
#
# 136 LYS HG+ 139 GLU HN 6.00 (# 291:10 Unique 2.25, 4.34 A)
&rst
ixpk= 291, nxpk= 10, iat= -1, 678, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 641, 642,
&end
#
# 135 ILE HG1- 139 GLU HN 8.00 (# 292:10 Unique 4.34, 4.78 A)
&rst
ixpk= 292, nxpk= 10, iat= -1, 678, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 625, 626,
&end
#
# 135 ILE QD1 139 GLU HN 8.00 (# 293:10 Unique 4.88, 6.09 A)
&rst
ixpk= 293, nxpk= 10, iat= -1, 678, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 628, 629, 630,
&end
#
# 135 ILE QD1 140 LEU HN 6.00 (# 294:10 Unique 3.45, 4.26 A)
&rst
ixpk= 294, nxpk= 10, iat= -1, 693, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 628, 629, 630,
&end
#
# 140 LEU HG 140 LEU HN 6.00 (# 295:10 Unique 2.52, 4.31 A)
&rst
ixpk= 295, nxpk= 10, iat= 700, 693, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:296 140 LEU HN 6.00 (# 296:10 Single Ambig)
&rst
ixpk= 296, nxpk= 10, iat= -1, 693, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 702, 703, 704, 706, 707, 708, 621, 622, 623,
&end
#
# 0 AMB 10-2:297 0 AMB 10-1:297 6.00 (# 297:10 Double Ambig)
&rst
ixpk= 297, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 625, 626, 48, 49,
igr2= 693, 71,
&end
#
# 140 LEU HB+ 140 LEU HN 3.20 (# 298:10 Unique 2.29, 2.49 A)
&rst
ixpk= 298, nxpk= 10, iat= -1, 693, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 697, 698,
&end
#
# 0 AMB 10-2:299 0 AMB 10-1:299 3.20 (# 299:10 Double Ambig)
&rst
ixpk= 299, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 697, 698, 61, 62,
igr2= 693, 71,
&end
#
# 0 AMB 10-2:300 140 LEU HN 3.20 (# 300:10 Single Ambig)
&rst
ixpk= 300, nxpk= 10, iat= -1, 693, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 682, 683, 682, 683,
&end
#
# 0 AMB 10-2:301 0 AMB 10-1:301 4.50 (# 301:10 Double Ambig)
&rst
ixpk= 301, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 64, 65, 685, 686,
igr2= 71, 693,
&end
#
# 0 AMB 10-2:302 0 AMB 10-1:302 3.20 (# 302:10 Double Ambig)
&rst
ixpk= 302, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 695, 85, 86, 85, 86, 671, 672,
igr2= 693, 71,
&end
#
# 0 AMB 10-2:303 140 LEU HN 6.00 (# 303:10 Single Ambig)
&rst
ixpk= 303, nxpk= 10, iat= -1, 693, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 680, 660, 661,
&end
#
# 0 AMB 10-2:304 0 AMB 10-1:304 8.00 (# 304:10 Double Ambig)
&rst
ixpk= 304, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 669, 92,
igr2= 693, 71,
&end
#
# 139 GLU HN 140 LEU HN 3.50 (# 305:10 Unique 2.52, 2.69 A)
&rst
ixpk= 305, nxpk= 10, iat= 678, 693, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 141 GLN HN 140 LEU HN 4.50 (# 306:10 Unique 2.76, 2.84 A)
&rst
ixpk= 306, nxpk= 10, iat= 712, 693, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:307 140 LEU HN 6.00 (# 307:10 Single Ambig)
&rst
ixpk= 307, nxpk= 10, iat= -1, 693, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 634, 766,
&end
#
# 140 LEU HN 141 GLN HN 4.50 (# 308:10 Unique 2.76, 2.84 A)
&rst
ixpk= 308, nxpk= 10, iat= 693, 712, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 142 LYS HN 141 GLN HN 6.00 (# 309:10 Unique 2.82, 2.89 A)
&rst
ixpk= 309, nxpk= 10, iat= 729, 712, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 139 GLU HN 141 GLN HN 8.00 (# 310:10 Unique 4.01, 4.22 A)
&rst
ixpk= 310, nxpk= 10, iat= 678, 712, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 138 SER HA 141 GLN HN 6.00 (# 311:10 Unique 3.20, 3.51 A)
&rst
ixpk= 311, nxpk= 10, iat= 669, 712, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:312 141 GLN HN 8.00 (# 312:10 Single Ambig)
&rst
ixpk= 312, nxpk= 10, iat= -1, 712, r1= 1.30, r2= 1.80, r3=10.46, r4=10.96,
igr1= 680, 660, 661, 731, 938,
&end
#
# 0 AMB 10-2:313 141 GLN HN 6.00 (# 313:10 Single Ambig)
&rst
ixpk= 313, nxpk= 10, iat= -1, 712, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr1= 695, 660, 661, 671, 672, 671, 672,
&end
#
# 141 GLN HA 141 GLN HN 6.00 (# 314:10 Unique 2.82, 2.85 A)
&rst
ixpk= 314, nxpk= 10, iat= 714, 712, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:315 141 GLN HN 8.00 (# 315:10 Single Ambig)
&rst
ixpk= 315, nxpk= 10, iat= -1, 712, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 943, 944, 943, 944, 792, 793,
&end
#
# 141 GLN HB- 141 GLN HN 3.50 (# 316:10 Unique 2.32, 2.52 A)
&rst
ixpk= 316, nxpk= 10, iat= -1, 712, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 716, 717,
&end
#
# 159 MET ME 141 GLN HN 3.50 (# 317:10 Unique 3.03, 4.09 A)
&rst
ixpk= 317, nxpk= 10, iat= -1, 712, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1012,1013,1014,
&end
#
# 144 ILE HB 141 GLN HN 8.00 (# 318:10 Unique 4.82, 4.90 A)
&rst
ixpk= 318, nxpk= 10, iat= 770, 712, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 10-2:319 141 GLN HN 6.00 (# 319:10 Single Ambig)
&rst
ixpk= 319, nxpk= 10, iat= -1, 712, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 736, 737, 625, 626,
&end
#
# 140 LEU HB+ 141 GLN HN 6.00 (# 320:10 Unique 2.48, 3.29 A)
&rst
ixpk= 320, nxpk= 10, iat= -1, 712, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 697, 698,
&end
#
# 0 AMB 10-2:321 141 GLN HN 6.00 (# 321:10 Single Ambig)
&rst
ixpk= 321, nxpk= 10, iat= -1, 712, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 702, 703, 704, 706, 707, 708, 621, 622, 623,
&end
#
# 0 AMB 10-2:322 141 GLN HN 2.80 (# 322:10 Single Ambig)
&rst
ixpk= 322, nxpk= 10, iat= -1, 712, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 716, 717, 719, 720,
&end
#
# 0 AMB 10-2:323 141 GLN HN 6.00 (# 323:10 Single Ambig)
&rst
ixpk= 323, nxpk= 10, iat= -1, 712, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 700, 779, 780, 781,
&end
#
# 152 ILE QD1 141 GLN HN 8.00 (# 324:10 Unique 4.74, 5.33 A)
&rst
ixpk= 324, nxpk= 10, iat= -1, 712, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 902, 903, 904,
&end
#
# 142 LYS HG- 142 LYS HN 6.00 (# 325:10 Unique 2.46, 4.36 A)
&rst
ixpk= 325, nxpk= 10, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 736, 737,
&end
#
# 142 LYS HG+ 142 LYS HN 4.50 (# 326:10 Unique 2.46, 4.36 A)
&rst
ixpk= 326, nxpk= 10, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 736, 737,
&end
#
# 0 AMB 10-2:327 142 LYS HN 2.80 (# 327:10 Single Ambig)
&rst
ixpk= 327, nxpk= 10, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 733, 734, 733, 734,
&end
#
# 0 AMB 10-2:328 142 LYS HN 3.50 (# 328:10 Single Ambig)
&rst
ixpk= 328, nxpk= 10, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 716, 717, 719, 720,
&end
#
# 0 AMB 10-2:329 142 LYS HN 4.50 (# 329:10 Single Ambig)
&rst
ixpk= 329, nxpk= 10, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 716, 717, 719, 720,
&end
#
# 0 AMB 10-2:330 142 LYS HN 8.00 (# 330:10 Single Ambig)
&rst
ixpk= 330, nxpk= 10, iat= -1, 729, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1= 758, 759, 792, 793, 943, 944, 943, 944,
&end
#
# 142 LYS HE+ 142 LYS HN 8.00 (# 331:10 Unique 3.86, 5.03 A)
&rst
ixpk= 331, nxpk= 10, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 742, 743,
&end
#
# 141 GLN HA 142 LYS HN 8.00 (# 332:10 Unique 3.60, 3.61 A)
&rst
ixpk= 332, nxpk= 10, iat= 714, 729, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 10-2:333 142 LYS HN 8.00 (# 333:10 Single Ambig)
&rst
ixpk= 333, nxpk= 10, iat= -1, 729, r1= 1.30, r2= 1.80, r3=10.46, r4=10.96,
igr1= 695, 671, 672, 671, 672,
&end
#
# 142 LYS HA 142 LYS HN 3.50 (# 334:10 Unique 2.82, 2.83 A)
&rst
ixpk= 334, nxpk= 10, iat= 731, 729, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 138 SER HA 142 LYS HN 8.00 (# 335:10 Unique 3.83, 3.95 A)
&rst
ixpk= 335, nxpk= 10, iat= 669, 729, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 139 GLU HN 142 LYS HN 8.00 (# 336:10 Unique 4.55, 4.66 A)
&rst
ixpk= 336, nxpk= 10, iat= 678, 729, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 143 GLU HN 142 LYS HN 4.50 (# 337:10 Unique 2.86, 2.92 A)
&rst
ixpk= 337, nxpk= 10, iat= 751, 729, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:338 142 LYS HN 8.00 (# 338:10 Single Ambig)
&rst
ixpk= 338, nxpk= 10, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 766, 785,
&end
#
# 141 GLN HN 142 LYS HN 6.00 (# 339:10 Unique 2.82, 2.89 A)
&rst
ixpk= 339, nxpk= 10, iat= 712, 729, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:340 0 AMB 10-1:340 4.50 (# 340:10 Double Ambig)
&rst
ixpk= 340, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 449, 450, 451, 507, 508, 509, 511, 512, 513, 700,
igr2= 462, 751,
&end
#
# 0 AMB 10-2:341 0 AMB 10-1:341 6.00 (# 341:10 Double Ambig)
&rst
ixpk= 341, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.32, r4=11.82,
igr1=1078,1079,1080, 864, 865, 866, 868, 869, 870, 702,
703, 704, 706, 707, 708,
igr2=1018, 343, 751,
&end
#
# 0 AMB 10-2:342 0 AMB 10-1:342 2.80 (# 342:10 Double Ambig)
&rst
ixpk= 342, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 755, 756, 755, 756,1005,1006,
igr2= 751,1018,
&end
#
# 0 AMB 10-2:343 0 AMB 10-1:343 3.20 (# 343:10 Double Ambig)
&rst
ixpk= 343, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 729,1030,1031,
igr2= 751,1018,
&end
#
# 161 SER HN 160 GLN HN 3.20 (# 344:10 Unique 2.68, 2.81 A)
&rst
ixpk= 344, nxpk= 10, iat=1035,1018, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 0 AMB 10-2:345 144 ILE HN 3.50 (# 345:10 Single Ambig)
&rst
ixpk= 345, nxpk= 10, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 751, 800,
&end
#
# 0 AMB 10-2:346 144 ILE HN 6.00 (# 346:10 Single Ambig)
&rst
ixpk= 346, nxpk= 10, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 753, 731, 787,
&end
#
# 0 AMB 10-2:347 144 ILE HN 6.00 (# 347:10 Single Ambig)
&rst
ixpk= 347, nxpk= 10, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 695, 435,
&end
#
# 144 ILE HA 144 ILE HN 4.50 (# 348:10 Unique 2.81, 2.84 A)
&rst
ixpk= 348, nxpk= 10, iat= 768, 766, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:349 144 ILE HN 8.00 (# 349:10 Single Ambig)
&rst
ixpk= 349, nxpk= 10, iat= -1, 766, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 758, 759, 792, 793,
&end
#
# 144 ILE HG1- 144 ILE HN 3.20 (# 350:10 Unique 2.25, 3.04 A)
&rst
ixpk= 350, nxpk= 10, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 776, 777,
&end
#
# 0 AMB 10-2:351 144 ILE HN 3.20 (# 351:10 Single Ambig)
&rst
ixpk= 351, nxpk= 10, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 755, 756, 755, 756,
&end
#
# 0 AMB 10-2:352 144 ILE HN 6.00 (# 352:10 Single Ambig)
&rst
ixpk= 352, nxpk= 10, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1= 804, 805, 804, 805, 826, 827, 733, 734, 733, 734,
&end
#
# 144 ILE HB 144 ILE HN 3.20 (# 353:10 Unique 2.35, 2.41 A)
&rst
ixpk= 353, nxpk= 10, iat= 770, 766, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 0 AMB 10-2:354 144 ILE HN 6.00 (# 354:10 Single Ambig)
&rst
ixpk= 354, nxpk= 10, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 490, 491, 492, 494,
&end
#
# 140 LEU MDX 144 ILE HN 6.00 (# 355:10 Unique 3.85, 6.16 A)
&rst
ixpk= 355, nxpk= 10, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 702, 703, 704, 706, 707, 708,
&end
#
# 0 AMB 10-2:356 144 ILE HN 6.00 (# 356:10 Single Ambig)
&rst
ixpk= 356, nxpk= 10, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 772, 773, 774, 700,
&end
#
# 144 ILE HG1+ 144 ILE HN 4.50 (# 357:10 Unique 2.25, 3.04 A)
&rst
ixpk= 357, nxpk= 10, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 776, 777,
&end
#
# 152 ILE QD1 144 ILE HN 8.00 (# 358:10 Unique 4.67, 5.80 A)
&rst
ixpk= 358, nxpk= 10, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 902, 903, 904,
&end
#
# 152 ILE QD1 145 GLU HN 6.00 (# 359:10 Unique 4.14, 5.35 A)
&rst
ixpk= 359, nxpk= 10, iat= -1, 785, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 902, 903, 904,
&end
#
# 120 LEU MDX 145 GLU HN 6.00 (# 360:10 Unique 5.18, 7.03 A)
&rst
ixpk= 360, nxpk= 10, iat= -1, 785, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 374, 375, 376, 378, 379, 380,
&end
#
# 0 AMB 10-2:361 145 GLU HN 3.50 (# 361:10 Single Ambig)
&rst
ixpk= 361, nxpk= 10, iat= -1, 785, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 772, 773, 774, 779, 780, 781,
&end
#
# 0 AMB 10-2:362 145 GLU HN 6.00 (# 362:10 Single Ambig)
&rst
ixpk= 362, nxpk= 10, iat= -1, 785, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 427, 428, 429, 893,
&end
#
# 144 ILE HB 145 GLU HN 2.80 (# 363:10 Unique 2.50, 2.57 A)
&rst
ixpk= 363, nxpk= 10, iat= 770, 785, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 145 GLU HB+ 145 GLU HN 3.20 (# 364:10 Unique 2.36, 3.01 A)
&rst
ixpk= 364, nxpk= 10, iat= -1, 785, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 789, 790,
&end
#
# 145 GLU HB- 145 GLU HN 3.20 (# 365:10 Unique 2.36, 3.01 A)
&rst
ixpk= 365, nxpk= 10, iat= -1, 785, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 789, 790,
&end
#
# 145 GLU HG+ 145 GLU HN 3.20 (# 366:10 Unique 2.26, 2.85 A)
&rst
ixpk= 366, nxpk= 10, iat= -1, 785, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 792, 793,
&end
#
# 144 ILE HA 145 GLU HN 6.00 (# 367:10 Unique 3.58, 3.59 A)
&rst
ixpk= 367, nxpk= 10, iat= 768, 785, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 141 GLN HA 145 GLU HN 6.00 (# 368:10 Unique 3.70, 3.78 A)
&rst
ixpk= 368, nxpk= 10, iat= 714, 785, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:369 145 GLU HN 2.80 (# 369:10 Single Ambig)
&rst
ixpk= 369, nxpk= 10, iat= -1, 785, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 787, 731,
&end
#
# 142 LYS HN 145 GLU HN 8.00 (# 370:10 Unique 4.82, 4.86 A)
&rst
ixpk= 370, nxpk= 10, iat= 729, 785, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 10-2:371 145 GLU HN 3.20 (# 371:10 Single Ambig)
&rst
ixpk= 371, nxpk= 10, iat= -1, 785, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 800, 751,
&end
#
# 0 AMB 10-2:372 146 LYS HN 3.50 (# 372:10 Single Ambig)
&rst
ixpk= 372, nxpk= 10, iat= -1, 800, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 785, 766,
&end
#
# 0 AMB 10-2:373 146 LYS HN 3.20 (# 373:10 Single Ambig)
&rst
ixpk= 373, nxpk= 10, iat= -1, 800, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 802, 753,
&end
#
# 0 AMB 10-2:374 146 LYS HN 6.00 (# 374:10 Single Ambig)
&rst
ixpk= 374, nxpk= 10, iat= -1, 800, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 792, 793, 758, 759,
&end
#
# 0 AMB 10-2:375 146 LYS HN 2.80 (# 375:10 Single Ambig)
&rst
ixpk= 375, nxpk= 10, iat= -1, 800, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 804, 805, 804, 805,
&end
#
# 144 ILE HA 146 LYS HN 8.00 (# 376:10 Unique 4.44, 4.62 A)
&rst
ixpk= 376, nxpk= 10, iat= 768, 800, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 10-2:377 147 GLU HN 8.00 (# 377:10 Single Ambig)
&rst
ixpk= 377, nxpk= 10, iat= -1, 822, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 785, 766,
&end
#
# 148 SER HN 147 GLU HN 3.50 (# 378:10 Unique 2.69, 2.76 A)
&rst
ixpk= 378, nxpk= 10, iat= 837, 822, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:379 147 GLU HN 2.80 (# 379:10 Single Ambig)
&rst
ixpk= 379, nxpk= 10, iat= -1, 822, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 824, 802,
&end
#
# 0 AMB 10-2:380 147 GLU HN 8.00 (# 380:10 Single Ambig)
&rst
ixpk= 380, nxpk= 10, iat= -1, 822, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 841, 842, 841, 842,
&end
#
# 144 ILE HA 147 GLU HN 6.00 (# 381:10 Unique 3.57, 3.73 A)
&rst
ixpk= 381, nxpk= 10, iat= 768, 822, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:382 147 GLU HN 2.80 (# 382:10 Single Ambig)
&rst
ixpk= 382, nxpk= 10, iat= -1, 822, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 826, 827, 829, 830,
&end
#
# 0 AMB 10-2:383 147 GLU HN 2.80 (# 383:10 Single Ambig)
&rst
ixpk= 383, nxpk= 10, iat= -1, 822, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 826, 827, 804, 805, 804, 805,
&end
#
# 0 AMB 10-2:384 147 GLU HN 6.00 (# 384:10 Single Ambig)
&rst
ixpk= 384, nxpk= 10, iat= -1, 822, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 810, 811, 770,
&end
#
# 123 ALA MB 147 GLU HN 6.00 (# 385:10 Unique 3.75, 4.99 A)
&rst
ixpk= 385, nxpk= 10, iat= -1, 822, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 427, 428, 429,
&end
#
# 144 ILE QG2 147 GLU HN 8.00 (# 386:10 Unique 5.52, 6.12 A)
&rst
ixpk= 386, nxpk= 10, iat= -1, 822, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 772, 773, 774,
&end
#
# 120 LEU MDX 148 SER HN 8.00 (# 387:10 Unique 4.50, 7.08 A)
&rst
ixpk= 387, nxpk= 10, iat= -1, 837, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 374, 375, 376, 378, 379, 380,
&end
#
# 144 ILE QG2 148 SER HN 6.00 (# 388:10 Unique 4.32, 5.05 A)
&rst
ixpk= 388, nxpk= 10, iat= -1, 837, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 772, 773, 774,
&end
#
# 150 LEU MDY 148 SER HN 8.00 (# 389:10 Unique 5.19, 7.65 A)
&rst
ixpk= 389, nxpk= 10, iat= -1, 837, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 864, 865, 866, 868, 869, 870,
&end
#
# 0 AMB 10-2:390 148 SER HN 8.00 (# 390:10 Single Ambig)
&rst
ixpk= 390, nxpk= 10, iat= -1, 837, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 353, 354, 353, 354, 810, 811,
&end
#
# 147 GLU HB+ 148 SER HN 3.20 (# 391:10 Unique 2.55, 3.33 A)
&rst
ixpk= 391, nxpk= 10, iat= -1, 837, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 826, 827,
&end
#
# 0 AMB 10-2:392 148 SER HN 3.20 (# 392:10 Single Ambig)
&rst
ixpk= 392, nxpk= 10, iat= -1, 837, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 826, 827, 829, 830,
&end
#
# 144 ILE HG1- 148 SER HN 6.00 (# 393:10 Unique 5.84, 6.25 A)
&rst
ixpk= 393, nxpk= 10, iat= -1, 837, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 776, 777,
&end
#
# 123 ALA MB 148 SER HN 4.50 (# 394:10 Unique 2.87, 3.50 A)
&rst
ixpk= 394, nxpk= 10, iat= -1, 837, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 427, 428, 429,
&end
#
# 144 ILE HA 148 SER HN 6.00 (# 395:10 Unique 3.72, 3.83 A)
&rst
ixpk= 395, nxpk= 10, iat= 768, 837, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:396 148 SER HN 2.80 (# 396:10 Single Ambig)
&rst
ixpk= 396, nxpk= 10, iat= -1, 837, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 841, 842, 841, 842,
&end
#
# 149 GLY HA- 148 SER HN 6.00 (# 397:10 Unique 4.76, 5.08 A)
&rst
ixpk= 397, nxpk= 10, iat= -1, 837, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 850, 851,
&end
#
# 0 AMB 10-2:398 148 SER HN 3.50 (# 398:10 Single Ambig)
&rst
ixpk= 398, nxpk= 10, iat= -1, 837, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 824, 802, 850, 851,
&end
#
# 148 SER HA 148 SER HN 3.50 (# 399:10 Unique 2.90, 2.93 A)
&rst
ixpk= 399, nxpk= 10, iat= 839, 837, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 150 LEU HN 148 SER HN 6.00 (# 400:10 Unique 3.85, 3.99 A)
&rst
ixpk= 400, nxpk= 10, iat= 855, 837, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:401 148 SER HN 2.80 (# 401:10 Single Ambig)
&rst
ixpk= 401, nxpk= 10, iat= -1, 837, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 848, 822,
&end
#
# 148 SER HN 149 GLY HN 4.50 (# 402:10 Unique 2.47, 2.57 A)
&rst
ixpk= 402, nxpk= 10, iat= 837, 848, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 150 LEU HN 149 GLY HN 3.20 (# 403:10 Unique 2.45, 2.50 A)
&rst
ixpk= 403, nxpk= 10, iat= 855, 848, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 150 LEU HA 149 GLY HN 8.00 (# 404:10 Unique 5.05, 5.20 A)
&rst
ixpk= 404, nxpk= 10, iat= 857, 848, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 148 SER HA 149 GLY HN 6.00 (# 405:10 Unique 3.52, 3.54 A)
&rst
ixpk= 405, nxpk= 10, iat= 839, 848, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:406 149 GLY HN 2.80 (# 406:10 Single Ambig)
&rst
ixpk= 406, nxpk= 10, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 850, 851, 802,
&end
#
# 149 GLY HA- 149 GLY HN 2.80 (# 407:10 Unique 2.30, 2.63 A)
&rst
ixpk= 407, nxpk= 10, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 850, 851,
&end
#
# 0 AMB 10-2:408 149 GLY HN 6.00 (# 408:10 Single Ambig)
&rst
ixpk= 408, nxpk= 10, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 841, 842, 841, 842,
&end
#
# 0 AMB 10-2:409 149 GLY HN 8.00 (# 409:10 Single Ambig)
&rst
ixpk= 409, nxpk= 10, iat= -1, 848, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 826, 827, 829, 830,
&end
#
# 0 AMB 10-2:410 149 GLY HN 6.00 (# 410:10 Single Ambig)
&rst
ixpk= 410, nxpk= 10, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 826, 827, 347, 348, 804, 805, 804, 805,
&end
#
# 0 AMB 10-2:411 149 GLY HN 6.00 (# 411:10 Single Ambig)
&rst
ixpk= 411, nxpk= 10, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 859, 860, 372,
&end
#
# 0 AMB 10-2:412 149 GLY HN 6.00 (# 412:10 Single Ambig)
&rst
ixpk= 412, nxpk= 10, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 862, 807, 808,
&end
#
# 0 AMB 10-2:413 149 GLY HN 8.00 (# 413:10 Single Ambig)
&rst
ixpk= 413, nxpk= 10, iat= -1, 848, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1= 864, 865, 866, 868, 869, 870, 864, 865, 866, 868,
869, 870,
&end
#
# 120 LEU MDX 150 LEU HN 6.00 (# 414:10 Unique 3.62, 5.91 A)
&rst
ixpk= 414, nxpk= 10, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 374, 375, 376, 378, 379, 380,
&end
#
# 144 ILE QG2 150 LEU HN 6.00 (# 415:10 Unique 5.07, 6.17 A)
&rst
ixpk= 415, nxpk= 10, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 772, 773, 774,
&end
#
# 150 LEU MDY 150 LEU HN 6.00 (# 416:10 Unique 2.62, 4.79 A)
&rst
ixpk= 416, nxpk= 10, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 864, 865, 866, 868, 869, 870,
&end
#
# 150 LEU HB- 150 LEU HN 3.50 (# 417:10 Unique 2.43, 3.28 A)
&rst
ixpk= 417, nxpk= 10, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 859, 860,
&end
#
# 150 LEU HG 150 LEU HN 3.50 (# 418:10 Unique 2.51, 2.90 A)
&rst
ixpk= 418, nxpk= 10, iat= 862, 855, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 150 LEU HB+ 150 LEU HN 3.50 (# 419:10 Unique 2.43, 3.28 A)
&rst
ixpk= 419, nxpk= 10, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 859, 860,
&end
#
# 0 AMB 10-2:420 150 LEU HN 3.50 (# 420:10 Single Ambig)
&rst
ixpk= 420, nxpk= 10, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 841, 842, 841, 842,
&end
#
# 149 GLY HA- 150 LEU HN 4.50 (# 421:10 Unique 3.13, 3.33 A)
&rst
ixpk= 421, nxpk= 10, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 850, 851,
&end
#
# 0 AMB 10-2:422 150 LEU HN 3.50 (# 422:10 Single Ambig)
&rst
ixpk= 422, nxpk= 10, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 850, 851, 802,
&end
#
# 148 SER HA 150 LEU HN 8.00 (# 423:10 Unique 4.24, 4.39 A)
&rst
ixpk= 423, nxpk= 10, iat= 839, 855, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 150 LEU HA 150 LEU HN 3.50 (# 424:10 Unique 2.95, 2.98 A)
&rst
ixpk= 424, nxpk= 10, iat= 857, 855, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 151 GLU HN 150 LEU HN 6.00 (# 425:10 Unique 4.34, 4.46 A)
&rst
ixpk= 425, nxpk= 10, iat= 874, 855, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 149 GLY HN 150 LEU HN 3.50 (# 426:10 Unique 2.45, 2.50 A)
&rst
ixpk= 426, nxpk= 10, iat= 848, 855, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 152 ILE HN 151 GLU HN 8.00 (# 427:10 Unique 4.39, 4.60 A)
&rst
ixpk= 427, nxpk= 10, iat= 889, 874, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 150 LEU HA 151 GLU HN 2.80 (# 428:10 Unique 2.21, 2.39 A)
&rst
ixpk= 428, nxpk= 10, iat= 857, 874, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 151 GLU HA 151 GLU HN 3.50 (# 429:10 Unique 2.86, 2.93 A)
&rst
ixpk= 429, nxpk= 10, iat= 876, 874, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:430 151 GLU HN 8.00 (# 430:10 Single Ambig)
&rst
ixpk= 430, nxpk= 10, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 891, 787,
&end
#
# 151 GLU HG+ 151 GLU HN 3.50 (# 431:10 Unique 2.08, 3.26 A)
&rst
ixpk= 431, nxpk= 10, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 881, 882,
&end
#
# 151 GLU HG- 151 GLU HN 6.00 (# 432:10 Unique 2.08, 3.26 A)
&rst
ixpk= 432, nxpk= 10, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 881, 882,
&end
#
# 0 AMB 10-2:433 151 GLU HN 2.80 (# 433:10 Single Ambig)
&rst
ixpk= 433, nxpk= 10, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 878, 879, 878, 879,
&end
#
# 150 LEU HB+ 151 GLU HN 3.50 (# 434:10 Unique 1.93, 3.19 A)
&rst
ixpk= 434, nxpk= 10, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 859, 860,
&end
#
# 150 LEU HG 151 GLU HN 6.00 (# 435:10 Unique 3.84, 4.79 A)
&rst
ixpk= 435, nxpk= 10, iat= 862, 874, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 150 LEU HB- 151 GLU HN 3.20 (# 436:10 Unique 1.93, 3.19 A)
&rst
ixpk= 436, nxpk= 10, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 859, 860,
&end
#
# 150 LEU MDX 151 GLU HN 4.50 (# 437:10 Unique 3.49, 5.12 A)
&rst
ixpk= 437, nxpk= 10, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 864, 865, 866, 868, 869, 870,
&end
#
# 120 LEU MDY 151 GLU HN 8.00 (# 438:10 Unique 3.01, 5.80 A)
&rst
ixpk= 438, nxpk= 10, iat= -1, 874, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 374, 375, 376, 378, 379, 380,
&end
#
# 120 LEU MDX 151 GLU HN 8.00 (# 439:10 Unique 3.01, 5.80 A)
&rst
ixpk= 439, nxpk= 10, iat= -1, 874, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 374, 375, 376, 378, 379, 380,
&end
#
# 152 ILE HG1+ 152 ILE HN 6.00 (# 440:10 Unique 2.17, 2.92 A)
&rst
ixpk= 440, nxpk= 10, iat= -1, 889, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 899, 900,
&end
#
# 152 ILE QD1 152 ILE HN 6.00 (# 441:10 Unique 4.08, 4.61 A)
&rst
ixpk= 441, nxpk= 10, iat= -1, 889, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 902, 903, 904,
&end
#
# 120 LEU MDY 152 ILE HN 8.00 (# 442:10 Unique 3.77, 5.13 A)
&rst
ixpk= 442, nxpk= 10, iat= -1, 889, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 374, 375, 376, 378, 379, 380,
&end
#
# 0 AMB 10-2:443 152 ILE HN 6.00 (# 443:10 Single Ambig)
&rst
ixpk= 443, nxpk= 10, iat= -1, 889, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 374, 375, 376, 378, 379, 380, 895, 896, 897,
&end
#
# 152 ILE HG1- 152 ILE HN 4.50 (# 444:10 Unique 2.17, 2.92 A)
&rst
ixpk= 444, nxpk= 10, iat= -1, 889, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 899, 900,
&end
#
# 152 ILE HB 152 ILE HN 3.20 (# 445:10 Unique 2.18, 2.54 A)
&rst
ixpk= 445, nxpk= 10, iat= 893, 889, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 0 AMB 10-2:446 152 ILE HN 3.50 (# 446:10 Single Ambig)
&rst
ixpk= 446, nxpk= 10, iat= -1, 889, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 878, 879, 878, 879,
&end
#
# 0 AMB 10-2:447 152 ILE HN 6.00 (# 447:10 Single Ambig)
&rst
ixpk= 447, nxpk= 10, iat= -1, 889, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 881, 882, 912, 913,
&end
#
# 0 AMB 10-2:448 152 ILE HN 6.00 (# 448:10 Single Ambig)
&rst
ixpk= 448, nxpk= 10, iat= -1, 889, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 881, 882, 719, 720, 789, 790,
&end
#
# 145 GLU HG- 152 ILE HN 3.50 (# 449:10 Unique 2.59, 3.19 A)
&rst
ixpk= 449, nxpk= 10, iat= -1, 889, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 792, 793,
&end
#
# 0 AMB 10-2:450 152 ILE HN 8.00 (# 450:10 Single Ambig)
&rst
ixpk= 450, nxpk= 10, iat= -1, 889, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 909, 910, 367,
&end
#
# 152 ILE HA 152 ILE HN 6.00 (# 451:10 Unique 2.89, 2.92 A)
&rst
ixpk= 451, nxpk= 10, iat= 891, 889, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 151 GLU HA 152 ILE HN 2.80 (# 452:10 Unique 2.18, 2.23 A)
&rst
ixpk= 452, nxpk= 10, iat= 876, 889, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 141 GLN HE2+ 152 ILE HN 8.00 (# 453:10 Unique 2.81, 3.62 A)
&rst
ixpk= 453, nxpk= 10, iat= -1, 889, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 724, 725,
&end
#
# 0 AMB 10-2:454 152 ILE HN 6.00 (# 454:10 Single Ambig)
&rst
ixpk= 454, nxpk= 10, iat= -1, 889, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 724, 725, 874,
&end
#
# 0 AMB 10-2:455 154 ASN HN 6.00 (# 455:10 Single Ambig)
&rst
ixpk= 455, nxpk= 10, iat= -1, 922, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 918, 983,
&end
#
# 153 PRO HD+ 154 ASN HN 6.00 (# 456:10 Unique 2.76, 3.47 A)
&rst
ixpk= 456, nxpk= 10, iat= -1, 922, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 909, 910,
&end
#
# 153 PRO HD- 154 ASN HN 4.50 (# 457:10 Unique 2.76, 3.47 A)
&rst
ixpk= 457, nxpk= 10, iat= -1, 922, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 909, 910,
&end
#
# 158 PHE HB- 154 ASN HN 8.00 (# 458:10 Unique 3.46, 3.81 A)
&rst
ixpk= 458, nxpk= 10, iat= -1, 922, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 985, 986,
&end
#
# 154 ASN HB+ 154 ASN HN 6.00 (# 459:10 Unique 2.90, 3.16 A)
&rst
ixpk= 459, nxpk= 10, iat= -1, 922, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 926, 927,
&end
#
# 154 ASN HB- 154 ASN HN 6.00 (# 460:10 Unique 2.90, 3.16 A)
&rst
ixpk= 460, nxpk= 10, iat= -1, 922, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 926, 927,
&end
#
# 153 PRO HB- 154 ASN HN 6.00 (# 461:10 Unique 2.51, 3.44 A)
&rst
ixpk= 461, nxpk= 10, iat= -1, 922, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 915, 916,
&end
#
# 153 PRO HG+ 154 ASN HN 6.00 (# 462:10 Unique 2.21, 3.81 A)
&rst
ixpk= 462, nxpk= 10, iat= -1, 922, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 912, 913,
&end
#
# 0 AMB 10-2:463 154 ASN HN 3.50 (# 463:10 Single Ambig)
&rst
ixpk= 463, nxpk= 10, iat= -1, 922, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 912, 913, 915, 916,
&end
#
# 152 ILE QG2 154 ASN HN 3.50 (# 464:10 Unique 2.26, 3.27 A)
&rst
ixpk= 464, nxpk= 10, iat= -1, 922, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 895, 896, 897,
&end
#
# 157 THR HN 156 THR HN 3.20 (# 465:10 Unique 2.93, 2.99 A)
&rst
ixpk= 465, nxpk= 10, iat= 967, 953, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 0 AMB 10-2:466 0 AMB 10-1:466 2.80 (# 466:10 Double Ambig)
&rst
ixpk= 466, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 957,1484,
igr2= 953,1482,
&end
#
# 156 THR HA 156 THR HN 3.20 (# 467:10 Unique 2.78, 2.81 A)
&rst
ixpk= 467, nxpk= 10, iat= 955, 953, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 0 AMB 10-2:468 156 THR HN 3.20 (# 468:10 Single Ambig)
&rst
ixpk= 468, nxpk= 10, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 963, 959, 960, 961, 977,
&end
#
# 0 AMB 10-2:469 156 THR HN 3.50 (# 469:10 Single Ambig)
&rst
ixpk= 469, nxpk= 10, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 940, 941, 940, 941,
&end
#
# 0 AMB 10-2:470 0 AMB 10-1:470 3.50 (# 470:10 Double Ambig)
&rst
ixpk= 470, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1471,1472, 947, 948, 949,
igr2=1482, 953,
&end
#
# 0 AMB 10-2:471 0 AMB 10-1:471 2.80 (# 471:10 Double Ambig)
&rst
ixpk= 471, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 957,1484,
igr2= 953,1482,
&end
#
# 156 THR HN 157 THR HN 3.20 (# 472:10 Unique 2.93, 2.99 A)
&rst
ixpk= 472, nxpk= 10, iat= 953, 967, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 158 PHE HN 157 THR HN 3.20 (# 473:10 Unique 2.75, 2.91 A)
&rst
ixpk= 473, nxpk= 10, iat= 981, 967, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 156 THR HB 157 THR HN 2.80 (# 474:10 Unique 2.45, 2.52 A)
&rst
ixpk= 474, nxpk= 10, iat= 957, 967, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 158 PHE HA 157 THR HN 6.00 (# 475:10 Unique 5.35, 5.48 A)
&rst
ixpk= 475, nxpk= 10, iat= 983, 967, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 157 THR HB 157 THR HN 3.20 (# 476:10 Unique 2.86, 2.94 A)
&rst
ixpk= 476, nxpk= 10, iat= 971, 967, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 157 THR HA 157 THR HN 3.20 (# 477:10 Unique 2.80, 2.82 A)
&rst
ixpk= 477, nxpk= 10, iat= 969, 967, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 158 PHE HB- 157 THR HN 6.00 (# 478:10 Unique 4.88, 5.32 A)
&rst
ixpk= 478, nxpk= 10, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 985, 986,
&end
#
# 158 PHE HB+ 157 THR HN 6.00 (# 479:10 Unique 4.88, 5.32 A)
&rst
ixpk= 479, nxpk= 10, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 985, 986,
&end
#
# 0 AMB 10-2:480 157 THR HN 6.00 (# 480:10 Single Ambig)
&rst
ixpk= 480, nxpk= 10, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 926, 927, 943, 944,
&end
#
# 0 AMB 10-2:481 157 THR HN 6.00 (# 481:10 Single Ambig)
&rst
ixpk= 481, nxpk= 10, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1022,1023, 940, 941, 940, 941,1005,1006,
&end
#
# 157 THR HG1 157 THR HN 2.80 (# 482:10 Unique 2.04, 3.11 A)
&rst
ixpk= 482, nxpk= 10, iat= 977, 967, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 160 GLN HB+ 157 THR HN 8.00 (# 483:10 Unique 4.86, 5.73 A)
&rst
ixpk= 483, nxpk= 10, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1022,1023,
&end
#
# 154 ASN HD2+ 157 THR HN 8.00 (# 484:10 Unique 3.99, 4.44 A)
&rst
ixpk= 484, nxpk= 10, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 931, 932,
&end
#
# 154 ASN HD2- 157 THR HN 6.00 (# 485:10 Unique 3.99, 4.44 A)
&rst
ixpk= 485, nxpk= 10, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 931, 932,
&end
#
# 158 PHE HD 157 THR HN 8.00 (# 486:10 Unique 6.79, 7.39 A)
&rst
ixpk= 486, nxpk= 10, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 989, 997,
&end
#
# 159 MET HN 158 PHE HN 3.50 (# 487:10 Unique 2.81, 2.90 A)
&rst
ixpk= 487, nxpk= 10, iat=1001, 981, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 157 THR HN 158 PHE HN 3.20 (# 488:10 Unique 2.75, 2.91 A)
&rst
ixpk= 488, nxpk= 10, iat= 967, 981, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 161 SER HN 158 PHE HN 8.00 (# 489:10 Unique 4.63, 4.74 A)
&rst
ixpk= 489, nxpk= 10, iat=1035, 981, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 158 PHE HD 158 PHE HN 4.50 (# 490:10 Unique 4.38, 4.73 A)
&rst
ixpk= 490, nxpk= 10, iat= -1, 981, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 989, 997,
&end
#
# 158 PHE HA 158 PHE HN 3.20 (# 491:10 Unique 2.85, 2.86 A)
&rst
ixpk= 491, nxpk= 10, iat= 983, 981, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 0 AMB 10-2:492 158 PHE HN 2.80 (# 492:10 Single Ambig)
&rst
ixpk= 492, nxpk= 10, iat= -1, 981, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 971, 938,
&end
#
# 157 THR HA 158 PHE HN 4.50 (# 493:10 Unique 3.56, 3.58 A)
&rst
ixpk= 493, nxpk= 10, iat= 969, 981, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 158 PHE HB- 158 PHE HN 2.80 (# 494:10 Unique 2.31, 2.57 A)
&rst
ixpk= 494, nxpk= 10, iat= -1, 981, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 985, 986,
&end
#
# 0 AMB 10-2:495 158 PHE HN 6.00 (# 495:10 Single Ambig)
&rst
ixpk= 495, nxpk= 10, iat= -1, 981, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 926, 927,1008,1009,
&end
#
# 0 AMB 10-2:496 158 PHE HN 6.00 (# 496:10 Single Ambig)
&rst
ixpk= 496, nxpk= 10, iat= -1, 981, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 926, 927, 943, 944, 943, 944,
&end
#
# 158 PHE HB+ 158 PHE HN 2.80 (# 497:10 Unique 2.31, 2.57 A)
&rst
ixpk= 497, nxpk= 10, iat= -1, 981, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 985, 986,
&end
#
# 0 AMB 10-2:498 158 PHE HN 8.00 (# 498:10 Single Ambig)
&rst
ixpk= 498, nxpk= 10, iat= -1, 981, r1= 1.30, r2= 1.80, r3=11.06, r4=11.56,
igr1= 912, 913,1022,1023,1012,1013,1014,
&end
#
# 0 AMB 10-2:499 158 PHE HN 6.00 (# 499:10 Single Ambig)
&rst
ixpk= 499, nxpk= 10, iat= -1, 981, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1005,1006, 940, 941, 940, 941,
&end
#
# 0 AMB 10-2:500 158 PHE HN 4.50 (# 500:10 Single Ambig)
&rst
ixpk= 500, nxpk= 10, iat= -1, 981, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 977, 973, 974, 975, 959, 960, 961,
&end
#
# 152 ILE QG2 159 MET HN 8.00 (# 501:10 Unique 4.56, 5.35 A)
&rst
ixpk= 501, nxpk= 10, iat= -1,1001, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 895, 896, 897,
&end
#
# 0 AMB 10-2:502 159 MET HN 8.00 (# 502:10 Single Ambig)
&rst
ixpk= 502, nxpk= 10, iat= -1,1001, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04,
igr1=1055,1056,1057,1059,1060,1061,1078,1079,1080,
&end
#
# 0 AMB 10-2:503 159 MET HN 8.00 (# 503:10 Single Ambig)
&rst
ixpk= 503, nxpk= 10, iat= -1,1001, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1= 959, 960, 961, 973, 974, 975, 977, 963,
&end
#
# 159 MET HB- 159 MET HN 6.00 (# 504:10 Unique 2.40, 3.06 A)
&rst
ixpk= 504, nxpk= 10, iat= -1,1001, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1005,1006,
&end
#
# 159 MET HB+ 159 MET HN 3.50 (# 505:10 Unique 2.40, 3.06 A)
&rst
ixpk= 505, nxpk= 10, iat= -1,1001, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1005,1006,
&end
#
# 0 AMB 10-2:506 159 MET HN 8.00 (# 506:10 Single Ambig)
&rst
ixpk= 506, nxpk= 10, iat= -1,1001, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 943, 944, 943, 944,
&end
#
# 159 MET HG+ 159 MET HN 4.50 (# 507:10 Unique 2.25, 2.98 A)
&rst
ixpk= 507, nxpk= 10, iat= -1,1001, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1008,1009,
&end
#
# 158 PHE HB+ 159 MET HN 4.50 (# 508:10 Unique 2.79, 3.51 A)
&rst
ixpk= 508, nxpk= 10, iat= -1,1001, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 985, 986,
&end
#
# 158 PHE HB- 159 MET HN 6.00 (# 509:10 Unique 2.79, 3.51 A)
&rst
ixpk= 509, nxpk= 10, iat= -1,1001, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 985, 986,
&end
#
# 0 AMB 10-2:510 159 MET HN 6.00 (# 510:10 Single Ambig)
&rst
ixpk= 510, nxpk= 10, iat= -1,1001, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 955,1039,1040,
&end
#
# 0 AMB 10-2:511 159 MET HN 8.00 (# 511:10 Single Ambig)
&rst
ixpk= 511, nxpk= 10, iat= -1,1001, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 938, 971,
&end
#
# 0 AMB 10-2:512 159 MET HN 4.50 (# 512:10 Single Ambig)
&rst
ixpk= 512, nxpk= 10, iat= -1,1001, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1003, 983,
&end
#
# 158 PHE HD 159 MET HN 6.00 (# 513:10 Unique 2.86, 4.32 A)
&rst
ixpk= 513, nxpk= 10, iat= -1,1001, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 989, 997,
&end
#
# 160 GLN HN 159 MET HN 4.50 (# 514:10 Unique 2.73, 2.77 A)
&rst
ixpk= 514, nxpk= 10, iat=1018,1001, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 158 PHE HN 159 MET HN 6.00 (# 515:10 Unique 2.81, 2.90 A)
&rst
ixpk= 515, nxpk= 10, iat= 981,1001, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:516 160 GLN HN 6.00 (# 516:10 Single Ambig)
&rst
ixpk= 516, nxpk= 10, iat= -1,1018, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1003, 983,
&end
#
# 126 LYS HA 126 LYS HN 3.50 (# 517:10 Unique 2.82, 2.87 A)
&rst
ixpk= 517, nxpk= 10, iat= 464, 462, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 144 ILE HA 0 AMB 10-1:518 8.00 (# 518:10 Single Ambig)
&rst
ixpk= 518, nxpk= 10, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 751, 462,
&end
#
# 0 AMB 10-2:519 0 AMB 10-1:519 6.00 (# 519:10 Double Ambig)
&rst
ixpk= 519, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 742, 743, 356, 357, 356, 357,
igr2= 751, 343,
&end
#
# 0 AMB 10-2:520 0 AMB 10-1:520 2.80 (# 520:10 Double Ambig)
&rst
ixpk= 520, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 758, 759,1025,1026,
igr2= 751,1018,
&end
#
# 0 AMB 10-2:521 0 AMB 10-1:521 4.50 (# 521:10 Double Ambig)
&rst
ixpk= 521, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.69, r4= 9.19,
igr1= 490, 491, 492, 959, 960, 961, 494, 973, 974, 975,
977, 859, 860,
igr2= 751,1018, 462, 343,
&end
#
# 126 LYS HB- 126 LYS HN 3.20 (# 522:10 Unique 2.32, 2.81 A)
&rst
ixpk= 522, nxpk= 10, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 466, 467,
&end
#
# 0 AMB 10-2:523 126 LYS HN 4.50 (# 523:10 Single Ambig)
&rst
ixpk= 523, nxpk= 10, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 466, 467, 447,
&end
#
# 0 AMB 10-2:524 0 AMB 10-1:524 3.20 (# 524:10 Double Ambig)
&rst
ixpk= 524, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1022,1023, 415, 416,
igr2=1018, 462,
&end
#
# 0 AMB 10-2:525 0 AMB 10-1:525 3.50 (# 525:10 Double Ambig)
&rst
ixpk= 525, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 337, 338, 339, 736, 737,
igr2= 343, 751,
&end
#
# 0 AMB 10-2:526 0 AMB 10-1:526 6.00 (# 526:10 Double Ambig)
&rst
ixpk= 526, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 445, 714,
igr2= 462, 751,
&end
#
# 0 AMB 10-2:527 160 GLN HN 3.20 (# 527:10 Single Ambig)
&rst
ixpk= 527, nxpk= 10, iat= -1,1018, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1020, 969,
&end
#
# 0 AMB 10-2:528 160 GLN HN 8.00 (# 528:10 Single Ambig)
&rst
ixpk= 528, nxpk= 10, iat= -1,1018, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 989, 997,1084,
&end
#
# 0 AMB 10-2:529 143 GLU HN 3.20 (# 529:10 Single Ambig)
&rst
ixpk= 529, nxpk= 10, iat= -1, 751, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 766, 785,
&end
#
# 0 AMB 10-2:530 0 AMB 10-1:530 3.20 (# 530:10 Double Ambig)
&rst
ixpk= 530, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1=1001, 433,
igr2=1018, 462,
&end
#
# 163 ILE HN 161 SER HN 8.00 (# 531:10 Unique 4.27, 4.34 A)
&rst
ixpk= 531, nxpk= 10, iat=1065,1035, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 160 GLN HN 161 SER HN 3.20 (# 532:10 Unique 2.68, 2.81 A)
&rst
ixpk= 532, nxpk= 10, iat=1018,1035, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 162 LEU HN 161 SER HN 3.20 (# 533:10 Unique 2.78, 2.83 A)
&rst
ixpk= 533, nxpk= 10, iat=1046,1035, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 0 AMB 10-2:534 161 SER HN 8.00 (# 534:10 Single Ambig)
&rst
ixpk= 534, nxpk= 10, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1=1084, 989, 997,
&end
#
# 0 AMB 10-2:535 161 SER HN 6.00 (# 535:10 Single Ambig)
&rst
ixpk= 535, nxpk= 10, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 983,1003,
&end
#
# 161 SER HA 161 SER HN 3.20 (# 536:10 Unique 2.84, 2.86 A)
&rst
ixpk= 536, nxpk= 10, iat=1037,1035, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 0 AMB 10-2:537 161 SER HN 2.80 (# 537:10 Single Ambig)
&rst
ixpk= 537, nxpk= 10, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1039,1040,1039,1040,
&end
#
# 160 GLN HG+ 161 SER HN 6.00 (# 538:10 Unique 3.67, 4.68 A)
&rst
ixpk= 538, nxpk= 10, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1025,1026,
&end
#
# 160 GLN HG- 161 SER HN 6.00 (# 539:10 Unique 3.67, 4.68 A)
&rst
ixpk= 539, nxpk= 10, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1025,1026,
&end
#
# 160 GLN HB- 161 SER HN 3.20 (# 540:10 Unique 2.54, 3.12 A)
&rst
ixpk= 540, nxpk= 10, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1022,1023,
&end
#
# 160 GLN HB+ 161 SER HN 3.50 (# 541:10 Unique 2.54, 3.12 A)
&rst
ixpk= 541, nxpk= 10, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1022,1023,
&end
#
# 0 AMB 10-2:542 161 SER HN 6.00 (# 542:10 Single Ambig)
&rst
ixpk= 542, nxpk= 10, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1050,1051,1069,
&end
#
# 163 ILE HG1- 161 SER HN 6.00 (# 543:10 Unique 6.04, 6.97 A)
&rst
ixpk= 543, nxpk= 10, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1075,1076,
&end
#
# 0 AMB 10-2:544 161 SER HN 8.00 (# 544:10 Single Ambig)
&rst
ixpk= 544, nxpk= 10, iat= -1,1035, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1= 973, 974, 975,1075,1076, 959, 960, 961,
&end
#
# 162 LEU HB- 161 SER HN 6.00 (# 545:10 Unique 4.64, 5.14 A)
&rst
ixpk= 545, nxpk= 10, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1050,1051,
&end
#
# 0 AMB 10-2:546 161 SER HN 8.00 (# 546:10 Single Ambig)
&rst
ixpk= 546, nxpk= 10, iat= -1,1035, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04,
igr1=1055,1056,1057,1059,1060,1061,1078,1079,1080,
&end
#
# 162 LEU HG 161 SER HN 8.00 (# 547:10 Unique 4.99, 6.73 A)
&rst
ixpk= 547, nxpk= 10, iat=1053,1035, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 162 LEU HG 162 LEU HN 6.00 (# 548:10 Unique 2.48, 4.12 A)
&rst
ixpk= 548, nxpk= 10, iat=1053,1046, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 162 LEU MDX 162 LEU HN 4.50 (# 549:10 Unique 2.42, 4.93 A)
&rst
ixpk= 549, nxpk= 10, iat= -1,1046, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1055,1056,1057,1059,1060,1061,
&end
#
# 162 LEU HB- 162 LEU HN 2.80 (# 550:10 Unique 2.13, 2.57 A)
&rst
ixpk= 550, nxpk= 10, iat= -1,1046, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1050,1051,
&end
#
# 163 ILE HG1+ 162 LEU HN 8.00 (# 551:10 Unique 4.82, 5.73 A)
&rst
ixpk= 551, nxpk= 10, iat= -1,1046, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1075,1076,
&end
#
# 0 AMB 10-2:552 162 LEU HN 6.00 (# 552:10 Single Ambig)
&rst
ixpk= 552, nxpk= 10, iat= -1,1046, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1075,1076,1005,1006,
&end
#
# 162 LEU HB+ 162 LEU HN 2.80 (# 553:10 Unique 2.13, 2.57 A)
&rst
ixpk= 553, nxpk= 10, iat= -1,1046, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1050,1051,
&end
#
# 0 AMB 10-2:554 162 LEU HN 8.00 (# 554:10 Single Ambig)
&rst
ixpk= 554, nxpk= 10, iat= -1,1046, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 391, 392,1022,1023,
&end
#
# 0 AMB 10-2:555 162 LEU HN 8.00 (# 555:10 Single Ambig)
&rst
ixpk= 555, nxpk= 10, iat= -1,1046, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1022,1023,1113,1114,
&end
#
# 0 AMB 10-2:556 162 LEU HN 2.80 (# 556:10 Single Ambig)
&rst
ixpk= 556, nxpk= 10, iat= -1,1046, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1039,1040,1048,
&end
#
# 161 SER HA 162 LEU HN 6.00 (# 557:10 Unique 3.58, 3.60 A)
&rst
ixpk= 557, nxpk= 10, iat=1037,1046, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:558 162 LEU HN 4.50 (# 558:10 Single Ambig)
&rst
ixpk= 558, nxpk= 10, iat= -1,1046, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1003, 983,
&end
#
# 164 LYS HN 162 LEU HN 6.00 (# 559:10 Unique 4.23, 4.30 A)
&rst
ixpk= 559, nxpk= 10, iat=1084,1046, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 161 SER HN 162 LEU HN 3.20 (# 560:10 Unique 2.78, 2.83 A)
&rst
ixpk= 560, nxpk= 10, iat=1035,1046, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 163 ILE HN 162 LEU HN 6.00 (# 561:10 Unique 2.83, 2.89 A)
&rst
ixpk= 561, nxpk= 10, iat=1065,1046, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 163 ILE HN 164 LYS HN 6.00 (# 562:10 Unique 2.77, 2.80 A)
&rst
ixpk= 562, nxpk= 10, iat=1065,1084, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 166 TYR HN 164 LYS HN 8.00 (# 563:10 Unique 4.08, 4.18 A)
&rst
ixpk= 563, nxpk= 10, iat=1123,1084, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 161 SER HA 164 LYS HN 6.00 (# 564:10 Unique 3.31, 3.40 A)
&rst
ixpk= 564, nxpk= 10, iat=1037,1084, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 164 LYS HA 164 LYS HN 3.50 (# 565:10 Unique 2.84, 2.87 A)
&rst
ixpk= 565, nxpk= 10, iat=1086,1084, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 163 ILE HA 164 LYS HN 8.00 (# 566:10 Unique 3.58, 3.60 A)
&rst
ixpk= 566, nxpk= 10, iat=1067,1084, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 10-2:567 164 LYS HN 2.80 (# 567:10 Single Ambig)
&rst
ixpk= 567, nxpk= 10, iat= -1,1084, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1088,1089,1088,1089,
&end
#
# 0 AMB 10-2:568 164 LYS HN 6.00 (# 568:10 Single Ambig)
&rst
ixpk= 568, nxpk= 10, iat= -1,1084, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1094,1095,1094,1095,1110,1111,
&end
#
# 164 LYS HG+ 164 LYS HN 6.00 (# 569:10 Unique 2.43, 3.86 A)
&rst
ixpk= 569, nxpk= 10, iat= -1,1084, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1091,1092,
&end
#
# 163 ILE QG2 164 LYS HN 6.00 (# 570:10 Unique 3.30, 4.17 A)
&rst
ixpk= 570, nxpk= 10, iat= -1,1084, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1071,1072,1073,
&end
#
# 164 LYS HG+ 165 MET HN 8.00 (# 571:10 Unique 3.57, 4.54 A)
&rst
ixpk= 571, nxpk= 10, iat= -1,1106, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1091,1092,
&end
#
# 0 AMB 10-2:572 165 MET HN 3.50 (# 572:10 Single Ambig)
&rst
ixpk= 572, nxpk= 10, iat= -1,1106, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1110,1111,1094,1095,1094,1095,
&end
#
# 0 AMB 10-2:573 165 MET HN 2.80 (# 573:10 Single Ambig)
&rst
ixpk= 573, nxpk= 10, iat= -1,1106, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1110,1111,1088,1089,1088,1089,
&end
#
# 165 MET HG+ 165 MET HN 6.00 (# 574:10 Unique 2.38, 3.54 A)
&rst
ixpk= 574, nxpk= 10, iat= -1,1106, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1113,1114,
&end
#
# 166 TYR HB+ 165 MET HN 8.00 (# 575:10 Unique 4.95, 5.72 A)
&rst
ixpk= 575, nxpk= 10, iat= -1,1106, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1127,1128,
&end
#
# 0 AMB 10-2:576 165 MET HN 8.00 (# 576:10 Single Ambig)
&rst
ixpk= 576, nxpk= 10, iat= -1,1106, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1=1067,1145,1146,
&end
#
# 0 AMB 10-2:577 165 MET HN 6.00 (# 577:10 Single Ambig)
&rst
ixpk= 577, nxpk= 10, iat= -1,1106, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1086,1039,1040,
&end
#
# 165 MET HA 165 MET HN 6.00 (# 578:10 Unique 2.87, 2.89 A)
&rst
ixpk= 578, nxpk= 10, iat=1108,1106, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 166 TYR HN 165 MET HN 3.50 (# 579:10 Unique 2.60, 2.67 A)
&rst
ixpk= 579, nxpk= 10, iat=1123,1106, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:580 166 TYR HN 6.00 (# 580:10 Single Ambig)
&rst
ixpk= 580, nxpk= 10, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1065,1173,
&end
#
# 165 MET HN 166 TYR HN 3.50 (# 581:10 Unique 2.60, 2.67 A)
&rst
ixpk= 581, nxpk= 10, iat=1106,1123, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 166 TYR HA 166 TYR HN 6.00 (# 582:10 Unique 2.96, 2.98 A)
&rst
ixpk= 582, nxpk= 10, iat=1125,1123, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 165 MET HA 166 TYR HN 6.00 (# 583:10 Unique 3.52, 3.56 A)
&rst
ixpk= 583, nxpk= 10, iat=1108,1123, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 162 LEU HA 166 TYR HN 8.00 (# 584:10 Unique 3.71, 3.93 A)
&rst
ixpk= 584, nxpk= 10, iat=1048,1123, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 10-2:585 166 TYR HN 6.00 (# 585:10 Single Ambig)
&rst
ixpk= 585, nxpk= 10, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1067,1145,1146,
&end
#
# 0 AMB 10-2:586 166 TYR HN 8.00 (# 586:10 Single Ambig)
&rst
ixpk= 586, nxpk= 10, iat= -1,1123, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1145,1146, 394, 395,
&end
#
# 166 TYR HB+ 166 TYR HN 6.00 (# 587:10 Unique 2.60, 3.21 A)
&rst
ixpk= 587, nxpk= 10, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1127,1128,
&end
#
# 166 TYR HB- 166 TYR HN 6.00 (# 588:10 Unique 2.60, 3.21 A)
&rst
ixpk= 588, nxpk= 10, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1127,1128,
&end
#
# 165 MET HG+ 166 TYR HN 8.00 (# 589:10 Unique 3.71, 4.71 A)
&rst
ixpk= 589, nxpk= 10, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1113,1114,
&end
#
# 165 MET HB+ 166 TYR HN 4.50 (# 590:10 Unique 2.55, 3.30 A)
&rst
ixpk= 590, nxpk= 10, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1110,1111,
&end
#
# 165 MET HB- 166 TYR HN 4.50 (# 591:10 Unique 2.55, 3.30 A)
&rst
ixpk= 591, nxpk= 10, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1110,1111,
&end
#
# 0 AMB 10-2:592 166 TYR HN 6.00 (# 592:10 Single Ambig)
&rst
ixpk= 592, nxpk= 10, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=1055,1056,1057,1059,1060,1061,1055,1056,1057,1059,
1060,1061,1179,1180,1181,1183,1184,1185,
&end
#
# 0 AMB 10-2:593 168 GLU HN 6.00 (# 593:10 Single Ambig)
&rst
ixpk= 593, nxpk= 10, iat= -1,1158, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=1179,1180,1181,1183,1184,1185,1365,1366,1367,1369,
1370,1371,1365,1366,1367,1369,1370,1371,
&end
#
# 0 AMB 10-2:594 168 GLU HN 6.00 (# 594:10 Single Ambig)
&rst
ixpk= 594, nxpk= 10, iat= -1,1158, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1179,1180,1181,1183,1184,1185,1418,1419,1420,
&end
#
# 0 AMB 10-2:595 168 GLU HN 3.50 (# 595:10 Single Ambig)
&rst
ixpk= 595, nxpk= 10, iat= -1,1158, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1162,1163,1148,1149,
&end
#
# 168 GLU HB- 168 GLU HN 4.50 (# 596:10 Unique 2.44, 3.06 A)
&rst
ixpk= 596, nxpk= 10, iat= -1,1158, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1162,1163,
&end
#
# 0 AMB 10-2:597 168 GLU HN 3.50 (# 597:10 Single Ambig)
&rst
ixpk= 597, nxpk= 10, iat= -1,1158, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1165,1166,1151,1152,
&end
#
# 166 TYR HB- 168 GLU HN 6.00 (# 598:10 Unique 3.18, 3.96 A)
&rst
ixpk= 598, nxpk= 10, iat= -1,1158, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1127,1128,
&end
#
# 166 TYR HB+ 168 GLU HN 8.00 (# 599:10 Unique 3.18, 3.96 A)
&rst
ixpk= 599, nxpk= 10, iat= -1,1158, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1127,1128,
&end
#
# 167 PRO HD+ 168 GLU HN 8.00 (# 600:10 Unique 3.06, 3.66 A)
&rst
ixpk= 600, nxpk= 10, iat= -1,1158, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1145,1146,
&end
#
# 167 PRO HD- 168 GLU HN 6.00 (# 601:10 Unique 3.06, 3.66 A)
&rst
ixpk= 601, nxpk= 10, iat= -1,1158, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1145,1146,
&end
#
# 168 GLU HA 168 GLU HN 3.50 (# 602:10 Unique 2.87, 2.89 A)
&rst
ixpk= 602, nxpk= 10, iat=1160,1158, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 167 PRO HA 168 GLU HN 6.00 (# 603:10 Unique 3.41, 3.46 A)
&rst
ixpk= 603, nxpk= 10, iat=1154,1158, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 166 TYR HA 168 GLU HN 6.00 (# 604:10 Unique 3.30, 3.48 A)
&rst
ixpk= 604, nxpk= 10, iat=1125,1158, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 166 TYR HD 168 GLU HN 8.00 (# 605:10 Unique 4.01, 5.70 A)
&rst
ixpk= 605, nxpk= 10, iat= -1,1158, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1131,1140,
&end
#
# 169 VAL HN 168 GLU HN 4.50 (# 606:10 Unique 2.56, 2.63 A)
&rst
ixpk= 606, nxpk= 10, iat=1173,1158, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 175 GLY HN 176 GLN HN 8.00 (# 607:10 Unique 2.54, 2.76 A)
&rst
ixpk= 607, nxpk= 10, iat=1292,1299, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 177 TYR HD 176 GLN HN 8.00 (# 608:10 Unique 3.84, 5.55 A)
&rst
ixpk= 608, nxpk= 10, iat= -1,1299, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1324,1333,
&end
#
# 176 GLN HA 176 GLN HN 6.00 (# 609:10 Unique 2.97, 2.98 A)
&rst
ixpk= 609, nxpk= 10, iat=1301,1299, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 175 GLY HA+ 176 GLN HN 6.00 (# 610:10 Unique 3.09, 3.35 A)
&rst
ixpk= 610, nxpk= 10, iat= -1,1299, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1294,1295,
&end
#
# 175 GLY HA- 176 GLN HN 6.00 (# 611:10 Unique 3.09, 3.35 A)
&rst
ixpk= 611, nxpk= 10, iat= -1,1299, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1294,1295,
&end
#
# 176 GLN HG+ 176 GLN HN 6.00 (# 612:10 Unique 3.14, 3.93 A)
&rst
ixpk= 612, nxpk= 10, iat= -1,1299, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1306,1307,
&end
#
# 0 AMB 10-2:613 176 GLN HN 6.00 (# 613:10 Single Ambig)
&rst
ixpk= 613, nxpk= 10, iat= -1,1299, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1303,1304,1306,1307,
&end
#
# 0 AMB 10-2:614 176 GLN HN 6.00 (# 614:10 Single Ambig)
&rst
ixpk= 614, nxpk= 10, iat= -1,1299, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1215,1216,1272,1273,1272,1273,
&end
#
# 0 AMB 10-2:615 176 GLN HN 4.50 (# 615:10 Single Ambig)
&rst
ixpk= 615, nxpk= 10, iat= -1,1299, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1303,1304,1215,1216,
&end
#
# 171 LYS HG- 176 GLN HN 6.00 (# 616:10 Unique 3.06, 4.70 A)
&rst
ixpk= 616, nxpk= 10, iat= -1,1299, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1218,1219,
&end
#
# 179 LEU HA 180 GLU HN 3.50 (# 617:10 Unique 2.09, 2.16 A)
&rst
ixpk= 617, nxpk= 10, iat=1358,1375, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 180 GLU HA 180 GLU HN 6.00 (# 618:10 Unique 2.94, 2.97 A)
&rst
ixpk= 618, nxpk= 10, iat=1377,1375, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 169 VAL HA 180 GLU HN 8.00 (# 619:10 Unique 3.21, 3.60 A)
&rst
ixpk= 619, nxpk= 10, iat=1175,1375, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 10-2:620 180 GLU HN 8.00 (# 620:10 Single Ambig)
&rst
ixpk= 620, nxpk= 10, iat= -1,1375, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1=1160,1392,1393,
&end
#
# 0 AMB 10-2:621 180 GLU HN 6.00 (# 621:10 Single Ambig)
&rst
ixpk= 621, nxpk= 10, iat= -1,1375, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1382,1383,1382,1383,
&end
#
# 180 GLU HB- 180 GLU HN 6.00 (# 622:10 Unique 2.29, 3.08 A)
&rst
ixpk= 622, nxpk= 10, iat= -1,1375, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1379,1380,
&end
#
# 0 AMB 10-2:623 180 GLU HN 4.50 (# 623:10 Single Ambig)
&rst
ixpk= 623, nxpk= 10, iat= -1,1375, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1379,1380,1162,1163,
&end
#
# 0 AMB 10-2:624 180 GLU HN 8.00 (# 624:10 Single Ambig)
&rst
ixpk= 624, nxpk= 10, iat= -1,1375, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1193,1194,1360,1361,
&end
#
# 0 AMB 10-2:625 180 GLU HN 6.00 (# 625:10 Single Ambig)
&rst
ixpk= 625, nxpk= 10, iat= -1,1375, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1363,1196,1197,
&end
#
# 179 LEU HB- 180 GLU HN 8.00 (# 626:10 Unique 4.14, 4.36 A)
&rst
ixpk= 626, nxpk= 10, iat= -1,1375, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1360,1361,
&end
#
# 0 AMB 10-2:627 180 GLU HN 4.50 (# 627:10 Single Ambig)
&rst
ixpk= 627, nxpk= 10, iat= -1,1375, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1365,1366,1367,1369,1370,1371,1365,1366,1367,1369,
1370,1371,1343,1344,1345,
&end
#
# 179 LEU MDY 181 GLY HN 6.00 (# 628:10 Unique 3.44, 6.69 A)
&rst
ixpk= 628, nxpk= 10, iat= -1,1390, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1365,1366,1367,1369,1370,1371,
&end
#
# 179 LEU HG 181 GLY HN 6.00 (# 629:10 Unique 3.91, 4.99 A)
&rst
ixpk= 629, nxpk= 10, iat=1363,1390, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 180 GLU HB- 181 GLY HN 4.50 (# 630:10 Unique 2.50, 3.80 A)
&rst
ixpk= 630, nxpk= 10, iat= -1,1390, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1379,1380,
&end
#
# 180 GLU HG- 181 GLY HN 6.00 (# 631:10 Unique 3.21, 4.59 A)
&rst
ixpk= 631, nxpk= 10, iat= -1,1390, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1382,1383,
&end
#
# 0 AMB 10-2:632 181 GLY HN 6.00 (# 632:10 Single Ambig)
&rst
ixpk= 632, nxpk= 10, iat= -1,1390, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1379,1380,1162,1163,
&end
#
# 181 GLY HA- 181 GLY HN 2.80 (# 633:10 Unique 2.31, 2.62 A)
&rst
ixpk= 633, nxpk= 10, iat= -1,1390, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1392,1393,
&end
#
# 181 GLY HA+ 181 GLY HN 2.80 (# 634:10 Unique 2.31, 2.62 A)
&rst
ixpk= 634, nxpk= 10, iat= -1,1390, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1392,1393,
&end
#
# 180 GLU HA 181 GLY HN 2.80 (# 635:10 Unique 2.13, 2.21 A)
&rst
ixpk= 635, nxpk= 10, iat=1377,1390, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 180 GLU HN 181 GLY HN 8.00 (# 636:10 Unique 4.05, 4.45 A)
&rst
ixpk= 636, nxpk= 10, iat=1375,1390, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 182 GLU HA 182 GLU HN 3.50 (# 637:10 Unique 2.85, 2.92 A)
&rst
ixpk= 637, nxpk= 10, iat=1399,1397, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 181 GLY HA+ 182 GLU HN 2.80 (# 638:10 Unique 2.15, 2.61 A)
&rst
ixpk= 638, nxpk= 10, iat= -1,1397, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1392,1393,
&end
#
# 181 GLY HA- 182 GLU HN 2.80 (# 639:10 Unique 2.15, 2.61 A)
&rst
ixpk= 639, nxpk= 10, iat= -1,1397, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1392,1393,
&end
#
# 182 GLU HG- 182 GLU HN 6.00 (# 640:10 Unique 2.41, 3.98 A)
&rst
ixpk= 640, nxpk= 10, iat= -1,1397, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1404,1405,
&end
#
# 182 GLU HB- 182 GLU HN 3.50 (# 641:10 Unique 2.46, 3.13 A)
&rst
ixpk= 641, nxpk= 10, iat= -1,1397, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1401,1402,
&end
#
# 0 AMB 10-2:642 182 GLU HN 2.80 (# 642:10 Single Ambig)
&rst
ixpk= 642, nxpk= 10, iat= -1,1397, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1401,1402,1162,1163,
&end
#
# 184 GLU HN 183 ILE HN 6.00 (# 643:10 Unique 2.17, 3.53 A)
&rst
ixpk= 643, nxpk= 10, iat=1431,1412, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:644 183 ILE HN 6.00 (# 644:10 Single Ambig)
&rst
ixpk= 644, nxpk= 10, iat= -1,1412, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1404,1405,1165,1166,1438,1439,1438,1439,
&end
#
# 182 GLU HB- 183 ILE HN 4.50 (# 645:10 Unique 2.42, 3.72 A)
&rst
ixpk= 645, nxpk= 10, iat= -1,1412, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1401,1402,
&end
#
# 183 ILE HG1- 183 ILE HN 4.50 (# 646:10 Unique 2.16, 3.44 A)
&rst
ixpk= 646, nxpk= 10, iat= -1,1412, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1422,1423,
&end
#
# 183 ILE HG1+ 183 ILE HN 4.50 (# 647:10 Unique 2.16, 3.44 A)
&rst
ixpk= 647, nxpk= 10, iat= -1,1412, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1422,1423,
&end
#
# 183 ILE QG2 183 ILE HN 4.50 (# 648:10 Unique 1.89, 3.97 A)
&rst
ixpk= 648, nxpk= 10, iat= -1,1412, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1418,1419,1420,
&end
#
# 179 LEU MDY 183 ILE HN 6.00 (# 649:10 Unique 2.80, 5.42 A)
&rst
ixpk= 649, nxpk= 10, iat= -1,1412, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1365,1366,1367,1369,1370,1371,
&end
#
# 183 ILE QG2 184 GLU HN 4.50 (# 650:10 Unique 2.54, 4.22 A)
&rst
ixpk= 650, nxpk= 10, iat= -1,1431, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1418,1419,1420,
&end
#
# 183 ILE QD1 184 GLU HN 6.00 (# 651:10 Unique 2.36, 5.57 A)
&rst
ixpk= 651, nxpk= 10, iat= -1,1431, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1425,1426,1427,
&end
#
# 183 ILE HG1+ 184 GLU HN 8.00 (# 652:10 Unique 2.37, 4.25 A)
&rst
ixpk= 652, nxpk= 10, iat= -1,1431, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1422,1423,
&end
#
# 183 ILE HG1- 184 GLU HN 6.00 (# 653:10 Unique 2.37, 4.25 A)
&rst
ixpk= 653, nxpk= 10, iat= -1,1431, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1422,1423,
&end
#
# 183 ILE HB 184 GLU HN 4.50 (# 654:10 Unique 2.70, 3.85 A)
&rst
ixpk= 654, nxpk= 10, iat=1416,1431, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:655 184 GLU HN 3.50 (# 655:10 Single Ambig)
&rst
ixpk= 655, nxpk= 10, iat= -1,1431, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1435,1436,1401,1402,
&end
#
# 184 GLU HB- 184 GLU HN 3.50 (# 656:10 Unique 2.35, 2.99 A)
&rst
ixpk= 656, nxpk= 10, iat= -1,1431, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1435,1436,
&end
#
# 0 AMB 10-2:657 184 GLU HN 4.50 (# 657:10 Single Ambig)
&rst
ixpk= 657, nxpk= 10, iat= -1,1431, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1438,1439,1438,1439,1404,1405,
&end
#
# 183 ILE HA 184 GLU HN 2.80 (# 658:10 Unique 2.11, 2.84 A)
&rst
ixpk= 658, nxpk= 10, iat=1414,1431, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 184 GLU HA 184 GLU HN 3.50 (# 659:10 Unique 2.77, 2.89 A)
&rst
ixpk= 659, nxpk= 10, iat=1433,1431, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 183 ILE HN 184 GLU HN 6.00 (# 660:10 Unique 2.17, 3.53 A)
&rst
ixpk= 660, nxpk= 10, iat=1412,1431, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 185 SER HN 184 GLU HN 6.00 (# 661:10 Unique 2.73, 3.98 A)
&rst
ixpk= 661, nxpk= 10, iat=1446,1431, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 185 SER HA 185 SER HN 3.50 (# 662:10 Unique 2.81, 2.89 A)
&rst
ixpk= 662, nxpk= 10, iat=1448,1446, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 185 SER HB- 185 SER HN 3.50 (# 663:10 Unique 2.44, 3.00 A)
&rst
ixpk= 663, nxpk= 10, iat= -1,1446, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1450,1451,
&end
#
# 185 SER HB+ 185 SER HN 3.50 (# 664:10 Unique 2.44, 3.00 A)
&rst
ixpk= 664, nxpk= 10, iat= -1,1446, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1450,1451,
&end
#
# 184 GLU HA 185 SER HN 2.80 (# 665:10 Unique 2.19, 2.65 A)
&rst
ixpk= 665, nxpk= 10, iat=1433,1446, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:666 185 SER HN 6.00 (# 666:10 Single Ambig)
&rst
ixpk= 666, nxpk= 10, iat= -1,1446, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1404,1405,1438,1439,1438,1439,
&end
#
# 184 GLU HB- 185 SER HN 4.50 (# 667:10 Unique 2.39, 3.73 A)
&rst
ixpk= 667, nxpk= 10, iat= -1,1446, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1435,1436,
&end
#
# 0 AMB 10-2:668 185 SER HN 4.50 (# 668:10 Single Ambig)
&rst
ixpk= 668, nxpk= 10, iat= -1,1446, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1435,1436,1401,1402,
&end
#
# 183 ILE HG1- 185 SER HN 8.00 (# 669:10 Unique 2.01, 6.98 A)
&rst
ixpk= 669, nxpk= 10, iat= -1,1446, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1422,1423,
&end
#
# 186 ALA MB 186 ALA HN 2.80 (# 670:10 Unique 2.42, 2.92 A)
&rst
ixpk= 670, nxpk= 10, iat= -1,1457, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1461,1462,1463,
&end
#
# 184 GLU HB+ 186 ALA HN 8.00 (# 671:10 Unique 2.87, 5.69 A)
&rst
ixpk= 671, nxpk= 10, iat= -1,1457, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1435,1436,
&end
#
# 184 GLU HB- 186 ALA HN 8.00 (# 672:10 Unique 2.87, 5.69 A)
&rst
ixpk= 672, nxpk= 10, iat= -1,1457, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1435,1436,
&end
#
# 0 AMB 10-2:673 186 ALA HN 8.00 (# 673:10 Single Ambig)
&rst
ixpk= 673, nxpk= 10, iat= -1,1457, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1438,1439,1438,1439,
&end
#
# 185 SER HB- 186 ALA HN 6.00 (# 674:10 Unique 2.64, 3.98 A)
&rst
ixpk= 674, nxpk= 10, iat= -1,1457, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1450,1451,
&end
#
# 185 SER HB+ 186 ALA HN 6.00 (# 675:10 Unique 2.64, 3.98 A)
&rst
ixpk= 675, nxpk= 10, iat= -1,1457, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1450,1451,
&end
#
# 0 AMB 10-2:676 186 ALA HN 3.50 (# 676:10 Single Ambig)
&rst
ixpk= 676, nxpk= 10, iat= -1,1457, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1459,1433,
&end
#
# 185 SER HA 186 ALA HN 2.80 (# 677:10 Unique 2.13, 2.91 A)
&rst
ixpk= 677, nxpk= 10, iat=1448,1457, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 186 ALA HA 187 GLU HN 2.80 (# 678:10 Unique 2.22, 2.74 A)
&rst
ixpk= 678, nxpk= 10, iat=1459,1467, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:679 187 GLU HN 6.00 (# 679:10 Single Ambig)
&rst
ixpk= 679, nxpk= 10, iat= -1,1467, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1450,1451,1486,1487,
&end
#
# 0 AMB 10-2:680 187 GLU HN 3.50 (# 680:10 Single Ambig)
&rst
ixpk= 680, nxpk= 10, iat= -1,1467, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1474,1475,1474,1475,
&end
#
# 187 GLU HB- 187 GLU HN 3.50 (# 681:10 Unique 2.30, 2.96 A)
&rst
ixpk= 681, nxpk= 10, iat= -1,1467, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1471,1472,
&end
#
# 187 GLU HB+ 187 GLU HN 2.80 (# 682:10 Unique 2.30, 2.96 A)
&rst
ixpk= 682, nxpk= 10, iat= -1,1467, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1471,1472,
&end
#
# 0 AMB 10-2:683 187 GLU HN 6.00 (# 683:10 Single Ambig)
&rst
ixpk= 683, nxpk= 10, iat= -1,1467, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1450,1451,1486,1487,
&end
#
# 186 ALA MB 187 GLU HN 3.50 (# 684:10 Unique 2.51, 3.68 A)
&rst
ixpk= 684, nxpk= 10, iat= -1,1467, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1461,1462,1463,
&end
#
# 0 AMB 10-2:685 188 SER HN 6.00 (# 685:10 Single Ambig)
&rst
ixpk= 685, nxpk= 10, iat= -1,1482, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1461,1462,1463,1497,1498,1499,
&end
#
# 187 GLU HB- 188 SER HN 4.50 (# 686:10 Unique 2.35, 3.53 A)
&rst
ixpk= 686, nxpk= 10, iat= -1,1482, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1471,1472,
&end
#
# 187 GLU HA 188 SER HN 2.80 (# 687:10 Unique 2.14, 2.57 A)
&rst
ixpk= 687, nxpk= 10, iat=1469,1482, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 188 SER HB- 188 SER HN 3.50 (# 688:10 Unique 2.41, 3.04 A)
&rst
ixpk= 688, nxpk= 10, iat= -1,1482, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1486,1487,
&end
#
# 0 AMB 10-2:689 189 ALA HN 3.50 (# 689:10 Single Ambig)
&rst
ixpk= 689, nxpk= 10, iat= -1,1493, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1495,1469,
&end
#
# 188 SER HB- 189 ALA HN 4.50 (# 690:10 Unique 2.57, 3.88 A)
&rst
ixpk= 690, nxpk= 10, iat= -1,1493, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1486,1487,
&end
#
# 189 ALA MB 189 ALA HN 2.80 (# 691:10 Unique 2.38, 3.05 A)
&rst
ixpk= 691, nxpk= 10, iat= -1,1493, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1497,1498,1499,
&end
#
# 0 AMB 10-2:692 190 ASN HN 6.00 (# 692:10 Single Ambig)
&rst
ixpk= 692, nxpk= 10, iat= -1,1503, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1486,1487,1486,1487,
&end
#
# 190 ASN HB- 190 ASN HN 3.50 (# 693:10 Unique 2.33, 2.82 A)
&rst
ixpk= 693, nxpk= 10, iat= -1,1503, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1507,1508,
&end
#
# 189 ALA MB 190 ASN HN 4.50 (# 694:10 Unique 2.47, 3.68 A)
&rst
ixpk= 694, nxpk= 10, iat= -1,1503, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1497,1498,1499,
&end
#
# 0 AMB 10-2:695 192 LEU HN 2.80 (# 695:10 Single Ambig)
&rst
ixpk= 695, nxpk= 10, iat= -1,1532, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1519,1534,
&end
#
# 0 AMB 10-2:696 192 LEU HN 6.00 (# 696:10 Single Ambig)
&rst
ixpk= 696, nxpk= 10, iat= -1,1532, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1524,1525,1524,1525,
&end
#
# 191 GLU HB+ 192 LEU HN 4.50 (# 697:10 Unique 2.78, 3.60 A)
&rst
ixpk= 697, nxpk= 10, iat= -1,1532, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1521,1522,
&end
#
# 191 GLU HB- 192 LEU HN 4.50 (# 698:10 Unique 2.78, 3.60 A)
&rst
ixpk= 698, nxpk= 10, iat= -1,1532, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1521,1522,
&end
#
# 192 LEU HB+ 192 LEU HN 3.50 (# 699:10 Unique 2.30, 2.78 A)
&rst
ixpk= 699, nxpk= 10, iat= -1,1532, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1536,1537,
&end
#
# 192 LEU HB- 192 LEU HN 2.80 (# 700:10 Unique 2.30, 2.78 A)
&rst
ixpk= 700, nxpk= 10, iat= -1,1532, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1536,1537,
&end
#
# 192 LEU MDY 192 LEU HN 6.00 (# 701:10 Unique 2.46, 4.75 A)
&rst
ixpk= 701, nxpk= 10, iat= -1,1532, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1541,1542,1543,1545,1546,1547,
&end
#
# 0 AMB 10-2:702 193 GLU HN 3.50 (# 702:10 Single Ambig)
&rst
ixpk= 702, nxpk= 10, iat= -1,1551, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1534,1519,
&end
#
# 0 AMB 10-2:703 193 GLU HN 2.80 (# 703:10 Single Ambig)
&rst
ixpk= 703, nxpk= 10, iat= -1,1551, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1555,1556,1555,1556,
&end
#
# 0 AMB 10-2:704 0 AMB 10-1:704 3.20 (# 704:10 Double Ambig)
&rst
ixpk= 704, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 337, 338, 339,1536,1537,
igr2= 343,1551,
&end
#
# 0 AMB 10-2:705 193 GLU HN 6.00 (# 705:10 Single Ambig)
&rst
ixpk= 705, nxpk= 10, iat= -1,1551, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1541,1542,1543,1545,1546,1547,1541,1542,1543,1545,
1546,1547,
&end
#
# 193 GLU HA 194 HIS HN 3.50 (# 706:10 Unique 2.05, 3.07 A)
&rst
ixpk= 706, nxpk= 10, iat=1553,1566, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 194 HIS HB- 194 HIS HN 6.00 (# 707:10 Unique 2.36, 3.20 A)
&rst
ixpk= 707, nxpk= 10, iat= -1,1566, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1570,1571,
&end
#
# 195 HIS HB- 195 HIS HN 6.00 (# 708:10 Unique 2.38, 3.11 A)
&rst
ixpk= 708, nxpk= 10, iat= -1,1584, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1588,1589,
&end
#
# 195 HIS HB+ 195 HIS HN 6.00 (# 709:10 Unique 2.38, 3.11 A)
&rst
ixpk= 709, nxpk= 10, iat= -1,1584, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1588,1589,
&end
#
# 195 HIS HA 195 HIS HN 6.00 (# 710:10 Unique 2.79, 2.91 A)
&rst
ixpk= 710, nxpk= 10, iat=1586,1584, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 135 ILE HN 177 TYR HN 6.00 (# 711:10 Unique 2.84, 2.98 A)
&rst
ixpk= 711, nxpk= 10, iat= 615,1316, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:712 177 TYR HN 6.00 (# 712:10 Single Ambig)
&rst
ixpk= 712, nxpk= 10, iat= -1,1316, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1= 507, 508, 509, 511, 512, 513, 700,1343,1344,1345,
&end
#
# 135 ILE QG2 177 TYR HN 6.00 (# 713:10 Unique 3.40, 4.16 A)
&rst
ixpk= 713, nxpk= 10, iat= -1,1316, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 621, 622, 623,
&end
#
# 134 ALA MB 177 TYR HN 6.00 (# 714:10 Unique 3.55, 5.35 A)
&rst
ixpk= 714, nxpk= 10, iat= -1,1316, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 609, 610, 611,
&end
#
# 0 AMB 10-2:715 177 TYR HN 6.00 (# 715:10 Single Ambig)
&rst
ixpk= 715, nxpk= 10, iat= -1,1316, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1=1303,1304, 625, 626,1341,
&end
#
# 0 AMB 10-2:716 177 TYR HN 4.50 (# 716:10 Single Ambig)
&rst
ixpk= 716, nxpk= 10, iat= -1,1316, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1303,1304,1306,1307,
&end
#
# 176 GLN HG+ 177 TYR HN 8.00 (# 717:10 Unique 3.06, 4.35 A)
&rst
ixpk= 717, nxpk= 10, iat= -1,1316, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1306,1307,
&end
#
# 177 TYR HB+ 177 TYR HN 6.00 (# 718:10 Unique 2.34, 3.06 A)
&rst
ixpk= 718, nxpk= 10, iat= -1,1316, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1320,1321,
&end
#
# 177 TYR HB- 177 TYR HN 6.00 (# 719:10 Unique 2.34, 3.06 A)
&rst
ixpk= 719, nxpk= 10, iat= -1,1316, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1320,1321,
&end
#
# 0 AMB 10-2:720 177 TYR HN 8.00 (# 720:10 Single Ambig)
&rst
ixpk= 720, nxpk= 10, iat= -1,1316, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 660, 661, 695,
&end
#
# 134 ALA HA 177 TYR HN 8.00 (# 721:10 Unique 4.58, 4.73 A)
&rst
ixpk= 721, nxpk= 10, iat= 607,1316, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 136 LYS HA 177 TYR HN 8.00 (# 722:10 Unique 3.54, 3.70 A)
&rst
ixpk= 722, nxpk= 10, iat= 636,1316, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 176 GLN HA 177 TYR HN 3.20 (# 723:10 Unique 1.99, 2.05 A)
&rst
ixpk= 723, nxpk= 10, iat=1301,1316, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 177 TYR HA 177 TYR HN 6.00 (# 724:10 Unique 2.95, 2.97 A)
&rst
ixpk= 724, nxpk= 10, iat=1318,1316, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 177 TYR HD 177 TYR HN 6.00 (# 725:10 Unique 2.61, 3.96 A)
&rst
ixpk= 725, nxpk= 10, iat= -1,1316, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1324,1333,
&end
#
# 0 AMB 10-2:726 177 TYR HN 8.00 (# 726:10 Single Ambig)
&rst
ixpk= 726, nxpk= 10, iat= -1,1316, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 656, 634,
&end
#
# 177 TYR HN 178 ILE HN 6.00 (# 727:10 Unique 4.57, 4.60 A)
&rst
ixpk= 727, nxpk= 10, iat=1316,1337, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 177 TYR HA 178 ILE HN 6.00 (# 728:10 Unique 2.34, 2.37 A)
&rst
ixpk= 728, nxpk= 10, iat=1318,1337, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 178 ILE HA 178 ILE HN 8.00 (# 729:10 Unique 2.92, 2.94 A)
&rst
ixpk= 729, nxpk= 10, iat=1339,1337, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 172 PRO HD+ 178 ILE HN 8.00 (# 730:10 Unique 2.91, 3.29 A)
&rst
ixpk= 730, nxpk= 10, iat= -1,1337, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1234,1235,
&end
#
# 177 TYR HB- 178 ILE HN 6.00 (# 731:10 Unique 2.51, 3.22 A)
&rst
ixpk= 731, nxpk= 10, iat= -1,1337, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1320,1321,
&end
#
# 0 AMB 10-2:732 178 ILE HN 8.00 (# 732:10 Single Ambig)
&rst
ixpk= 732, nxpk= 10, iat= -1,1337, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=1193,1194,1237,1238,1360,1361,
&end
#
# 0 AMB 10-2:733 178 ILE HN 8.00 (# 733:10 Single Ambig)
&rst
ixpk= 733, nxpk= 10, iat= -1,1337, r1= 1.30, r2= 1.80, r3=10.46, r4=10.96,
igr1=1341,1196,1197,1215,1216,
&end
#
# 0 AMB 10-2:734 178 ILE HN 4.50 (# 734:10 Single Ambig)
&rst
ixpk= 734, nxpk= 10, iat= -1,1337, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1343,1344,1345,1179,1180,1181,1183,1184,1185,
&end
#
# 162 LEU HN 163 ILE HN 6.00 (# 735:10 Unique 2.83, 2.89 A)
&rst
ixpk= 735, nxpk= 10, iat=1046,1065, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 164 LYS HN 163 ILE HN 6.00 (# 736:10 Unique 2.77, 2.80 A)
&rst
ixpk= 736, nxpk= 10, iat=1084,1065, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 171 LYS HA 171 LYS HN 8.00 (# 737:10 Unique 3.00, 3.01 A)
&rst
ixpk= 737, nxpk= 10, iat=1213,1211, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 163 ILE HA 163 ILE HN 4.50 (# 738:10 Unique 2.85, 2.87 A)
&rst
ixpk= 738, nxpk= 10, iat=1067,1065, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:739 0 AMB 10-1:739 3.20 (# 739:10 Double Ambig)
&rst
ixpk= 739, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1075,1076,1199,1200,
igr2=1065,1211,
&end
#
# 0 AMB 10-2:740 0 AMB 10-1:740 4.50 (# 740:10 Double Ambig)
&rst
ixpk= 740, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1218,1219,1075,1076,
igr2=1211,1065,
&end
#
# 163 ILE QG2 0 AMB 10-1:741 4.50 (# 741:10 Single Ambig)
&rst
ixpk= 741, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1071,1072,1073,
igr2=1065,1211,
&end
#
# 0 AMB 10-2:742 0 AMB 10-1:742 4.50 (# 742:10 Double Ambig)
&rst
ixpk= 742, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1078,1079,1080,1055,1056,1057,1059,1060,1061,
igr2=1211,1065,
&end
#
# 0 AMB 10-2:743 0 AMB 10-1:743 6.00 (# 743:10 Double Ambig)
&rst
ixpk= 743, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1053,1343,1344,1345,
igr2=1065,1211,
&end
#
# 160 GLN HA 163 ILE HN 6.00 (# 744:10 Unique 3.24, 3.48 A)
&rst
ixpk= 744, nxpk= 10, iat=1020,1065, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:745 0 AMB 10-1:745 2.80 (# 745:10 Double Ambig)
&rst
ixpk= 745, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1=1069,1193,1194,1050,1051,
igr2=1065,1211,
&end
#
# 0 AMB 10-2:746 0 AMB 10-1:746 6.00 (# 746:10 Double Ambig)
&rst
ixpk= 746, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1218,1219,1075,1076,
igr2=1211,1065,
&end
#
# 170 LYS HA 171 LYS HN 3.50 (# 747:10 Unique 2.27, 2.36 A)
&rst
ixpk= 747, nxpk= 10, iat=1191,1211, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:748 170 LYS HN 6.00 (# 748:10 Single Ambig)
&rst
ixpk= 748, nxpk= 10, iat= -1,1189, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1179,1180,1181,1183,1184,1185,1343,1344,1345,
&end
#
# 0 AMB 10-2:749 170 LYS HN 8.00 (# 749:10 Single Ambig)
&rst
ixpk= 749, nxpk= 10, iat= -1,1189, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1196,1197,1199,1200,
&end
#
# 0 AMB 10-2:750 170 LYS HN 6.00 (# 750:10 Single Ambig)
&rst
ixpk= 750, nxpk= 10, iat= -1,1189, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1193,1194,1193,1194,
&end
#
# 169 VAL HA 170 LYS HN 6.00 (# 751:10 Unique 2.10, 2.15 A)
&rst
ixpk= 751, nxpk= 10, iat=1175,1189, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:752 0 AMB 10-1:752 6.00 (# 752:10 Double Ambig)
&rst
ixpk= 752, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1=1251,1252, 647, 648, 647, 648,
igr2=1311,1312,1311,1312,1311,1312,
&end
#
# 176 GLN HG+ 176 GLN HE2+ 3.20 (# 753:10 Unique 2.28, 3.21 A)
&rst
ixpk= 753, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1=1306,1307,
igr2=1311,1312,
&end
#
# 0 AMB 10-2:754 0 AMB 10-1:754 4.50 (# 754:10 Double Ambig)
&rst
ixpk= 754, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1306,1307,1303,1304,
igr2=1311,1312,1311,1312,
&end
#
# 0 AMB 10-2:755 0 AMB 10-1:755 8.00 (# 755:10 Double Ambig)
&rst
ixpk= 755, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=14.54, r4=15.04,
igr1=1272,1273, 644, 645, 644, 645,
igr2=1311,1312,1311,1312,1311,1312,
&end
#
# 0 AMB 10-2:756 0 AMB 10-1:756 8.00 (# 756:10 Double Ambig)
&rst
ixpk= 756, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.70, r4=13.20,
igr1= 641, 642,1275,1276,
igr2=1311,1312,1311,1312,
&end
#
# 0 AMB 10-2:757 0 AMB 10-1:757 6.00 (# 757:10 Double Ambig)
&rst
ixpk= 757, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1=1303,1304, 641, 642,1275,1276,
igr2=1311,1312,1311,1312,1311,1312,
&end
#
# 134 ALA MB 176 GLN HE2+ 8.00 (# 758:10 Unique 2.76, 6.89 A)
&rst
ixpk= 758, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 609, 610, 611,
igr2=1311,1312,
&end
#
# 0 AMB 10-2:759 176 GLN HE2- 8.00 (# 759:10 Single Ambig)
&rst
ixpk= 759, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1=1303,1304, 641, 642,1275,1276,
igr2=1311,1312,
&end
#
# 0 AMB 10-2:760 176 GLN HE2- 6.00 (# 760:10 Single Ambig)
&rst
ixpk= 760, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1306,1307,1303,1304,
igr2=1311,1312,
&end
#
# 176 GLN HG+ 176 GLN HE2- 6.00 (# 761:10 Unique 2.28, 3.21 A)
&rst
ixpk= 761, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1306,1307,
igr2=1311,1312,
&end
#
# 0 AMB 10-2:762 176 GLN HE2- 8.00 (# 762:10 Single Ambig)
&rst
ixpk= 762, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1=1251,1252, 647, 648, 647, 648,
igr2=1311,1312,
&end
#
# 0 AMB 10-2:763 0 AMB 10-1:763 6.00 (# 763:10 Double Ambig)
&rst
ixpk= 763, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 969,1020,
igr2=1030,1031,1030,1031,
&end
#
# 171 LYS HE+ 160 GLN HE2+ 8.00 (# 764:10 Unique 2.80, 6.76 A)
&rst
ixpk= 764, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1224,1225,
igr2=1030,1031,
&end
#
# 160 GLN HG+ 160 GLN HE2+ 4.50 (# 765:10 Unique 2.36, 3.29 A)
&rst
ixpk= 765, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1025,1026,
igr2=1030,1031,
&end
#
# 160 GLN HG- 160 GLN HE2+ 4.50 (# 766:10 Unique 2.36, 3.29 A)
&rst
ixpk= 766, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1025,1026,
igr2=1030,1031,
&end
#
# 160 GLN HB- 160 GLN HE2+ 8.00 (# 767:10 Unique 2.16, 4.26 A)
&rst
ixpk= 767, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1022,1023,
igr2=1030,1031,
&end
#
# 160 GLN HB+ 160 GLN HE2+ 8.00 (# 768:10 Unique 2.16, 4.26 A)
&rst
ixpk= 768, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1022,1023,
igr2=1030,1031,
&end
#
# 0 AMB 10-2:769 0 AMB 10-1:769 8.00 (# 769:10 Double Ambig)
&rst
ixpk= 769, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.70, r4=13.20,
igr1=1221,1222,1221,1222,
igr2=1030,1031,1030,1031,
&end
#
# 0 AMB 10-2:770 0 AMB 10-1:770 4.50 (# 770:10 Double Ambig)
&rst
ixpk= 770, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 959, 960, 961, 973, 974, 975,
igr2=1030,1031,1030,1031,
&end
#
# 0 AMB 10-2:771 160 GLN HE2- 6.00 (# 771:10 Single Ambig)
&rst
ixpk= 771, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 959, 960, 961, 973, 974, 975,
igr2=1030,1031,
&end
#
# 160 GLN HB- 160 GLN HE2- 8.00 (# 772:10 Unique 2.16, 4.26 A)
&rst
ixpk= 772, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1022,1023,
igr2=1030,1031,
&end
#
# 160 GLN HG- 160 GLN HE2- 6.00 (# 773:10 Unique 2.36, 3.29 A)
&rst
ixpk= 773, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1025,1026,
igr2=1030,1031,
&end
#
# 160 GLN HG+ 160 GLN HE2- 6.00 (# 774:10 Unique 2.36, 3.29 A)
&rst
ixpk= 774, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1025,1026,
igr2=1030,1031,
&end
#
# 133 ALA MB 132 ASN HD2- 8.00 (# 775:10 Unique 4.28, 7.08 A)
&rst
ixpk= 775, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 599, 600, 601,
igr2= 590, 591,
&end
#
# 0 AMB 10-2:776 0 AMB 10-1:776 4.50 (# 776:10 Double Ambig)
&rst
ixpk= 776, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 585, 586,1224,1225,
igr2= 590, 591,1030,1031,
&end
#
# 0 AMB 10-2:777 160 GLN HE2- 8.00 (# 777:10 Single Ambig)
&rst
ixpk= 777, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 969,1020,
igr2=1030,1031,
&end
#
# 132 ASN HB- 132 ASN HD2+ 3.50 (# 778:10 Unique 2.23, 3.21 A)
&rst
ixpk= 778, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 585, 586,
igr2= 590, 591,
&end
#
# 152 ILE HN 141 GLN HE2- 6.00 (# 779:10 Unique 2.81, 3.62 A)
&rst
ixpk= 779, nxpk= 10, iat= 889, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 724, 725,
&end
#
# 151 GLU HA 141 GLN HE2- 6.00 (# 780:10 Unique 4.19, 5.06 A)
&rst
ixpk= 780, nxpk= 10, iat= 876, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 724, 725,
&end
#
# 0 AMB 10-2:781 141 GLN HE2- 8.00 (# 781:10 Single Ambig)
&rst
ixpk= 781, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 731, 891, 787,
igr2= 724, 725,
&end
#
# 141 GLN HA 141 GLN HE2- 8.00 (# 782:10 Unique 4.95, 5.50 A)
&rst
ixpk= 782, nxpk= 10, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 724, 725,
&end
#
# 0 AMB 10-2:783 141 GLN HE2- 6.00 (# 783:10 Single Ambig)
&rst
ixpk= 783, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 792, 793, 943, 944, 943, 944,
igr2= 724, 725,
&end
#
# 141 GLN HG+ 141 GLN HE2- 3.20 (# 784:10 Unique 2.35, 3.14 A)
&rst
ixpk= 784, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 719, 720,
igr2= 724, 725,
&end
#
# 141 GLN HG- 141 GLN HE2- 3.20 (# 785:10 Unique 2.35, 3.14 A)
&rst
ixpk= 785, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 719, 720,
igr2= 724, 725,
&end
#
# 0 AMB 10-2:786 141 GLN HE2- 6.00 (# 786:10 Single Ambig)
&rst
ixpk= 786, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1= 947, 948, 949, 881, 882,
igr2= 724, 725,
&end
#
# 152 ILE HB 141 GLN HE2- 3.50 (# 787:10 Unique 2.29, 3.17 A)
&rst
ixpk= 787, nxpk= 10, iat= 893, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 724, 725,
&end
#
# 152 ILE HG1- 141 GLN HE2- 8.00 (# 788:10 Unique 3.02, 4.87 A)
&rst
ixpk= 788, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 899, 900,
igr2= 724, 725,
&end
#
# 152 ILE QG2 141 GLN HE2- 6.00 (# 789:10 Unique 2.75, 5.51 A)
&rst
ixpk= 789, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 895, 896, 897,
igr2= 724, 725,
&end
#
# 152 ILE QD1 141 GLN HE2- 6.00 (# 790:10 Unique 3.42, 4.91 A)
&rst
ixpk= 790, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 902, 903, 904,
igr2= 724, 725,
&end
#
# 152 ILE HG1+ 141 GLN HE2- 8.00 (# 791:10 Unique 3.02, 4.87 A)
&rst
ixpk= 791, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 899, 900,
igr2= 724, 725,
&end
#
# 152 ILE QD1 141 GLN HE2+ 6.00 (# 792:10 Unique 3.42, 4.91 A)
&rst
ixpk= 792, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 902, 903, 904,
igr2= 724, 725,
&end
#
# 152 ILE HG1- 141 GLN HE2+ 8.00 (# 793:10 Unique 3.02, 4.87 A)
&rst
ixpk= 793, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 899, 900,
igr2= 724, 725,
&end
#
# 0 AMB 10-2:794 0 AMB 10-1:794 8.00 (# 794:10 Double Ambig)
&rst
ixpk= 794, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=14.10, r4=14.60,
igr1= 878, 879, 878, 879, 770,
igr2= 724, 725, 724, 725, 724, 725,
&end
#
# 141 GLN HA 141 GLN HE2+ 8.00 (# 795:10 Unique 4.95, 5.50 A)
&rst
ixpk= 795, nxpk= 10, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 724, 725,
&end
#
# 0 AMB 10-2:796 0 AMB 10-1:796 8.00 (# 796:10 Double Ambig)
&rst
ixpk= 796, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1= 876, 918,
igr2= 724, 725, 724, 725,
&end
#
# 152 ILE HN 141 GLN HE2+ 6.00 (# 797:10 Unique 2.81, 3.62 A)
&rst
ixpk= 797, nxpk= 10, iat= 889, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 724, 725,
&end
#
# 190 ASN HN 190 ASN HD2+ 8.00 (# 798:10 Unique 2.04, 4.66 A)
&rst
ixpk= 798, nxpk= 10, iat=1503, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1512,1513,
&end
#
# 154 ASN HB+ 154 ASN HD2- 4.50 (# 799:10 Unique 2.22, 3.26 A)
&rst
ixpk= 799, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 926, 927,
igr2= 931, 932,
&end
#
# 190 ASN HB+ 190 ASN HD2+ 3.50 (# 800:10 Unique 2.23, 3.20 A)
&rst
ixpk= 800, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1507,1508,
igr2=1512,1513,
&end
#
# 154 ASN HB- 154 ASN HD2- 3.50 (# 801:10 Unique 2.22, 3.26 A)
&rst
ixpk= 801, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 926, 927,
igr2= 931, 932,
&end
#
# 0 AMB 10-2:802 154 ASN HD2- 6.00 (# 802:10 Single Ambig)
&rst
ixpk= 802, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1= 977, 963, 959, 960, 961,
igr2= 931, 932,
&end
#
# 189 ALA MB 190 ASN HD2+ 8.00 (# 803:10 Unique 4.08, 7.69 A)
&rst
ixpk= 803, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=1497,1498,1499,
igr2=1512,1513,
&end
#
# 0 AMB 10-2:804 0 AMB 10-1:804 8.00 (# 804:10 Double Ambig)
&rst
ixpk= 804, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.70, r4=13.20,
igr1=1555,1556,1555,1556,
igr2=1512,1513,1512,1513,
&end
#
# 156 THR HB 154 ASN HD2- 8.00 (# 805:10 Unique 3.77, 4.84 A)
&rst
ixpk= 805, nxpk= 10, iat= 957, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 931, 932,
&end
#
# 190 ASN HB- 190 ASN HD2- 6.00 (# 806:10 Unique 2.23, 3.20 A)
&rst
ixpk= 806, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1507,1508,
igr2=1512,1513,
&end
#
# 190 ASN HB+ 190 ASN HD2- 6.00 (# 807:10 Unique 2.23, 3.20 A)
&rst
ixpk= 807, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1507,1508,
igr2=1512,1513,
&end
#
# 0 AMB 10-2:808 0 AMB 10-1:808 3.50 (# 808:10 Double Ambig)
&rst
ixpk= 808, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 977, 963, 959, 960, 961,
igr2= 931, 932, 931, 932, 931, 932,
&end
#
# 154 ASN HB- 154 ASN HD2+ 3.50 (# 809:10 Unique 2.22, 3.26 A)
&rst
ixpk= 809, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 926, 927,
igr2= 931, 932,
&end
#
# 154 ASN HB+ 154 ASN HD2+ 4.50 (# 810:10 Unique 2.22, 3.26 A)
&rst
ixpk= 810, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 926, 927,
igr2= 931, 932,
&end
#
# 156 THR HB 154 ASN HD2+ 6.00 (# 811:10 Unique 3.77, 4.84 A)
&rst
ixpk= 811, nxpk= 10, iat= 957, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 931, 932,
&end
#
# 157 THR HN 154 ASN HD2+ 8.00 (# 812:10 Unique 3.99, 4.44 A)
&rst
ixpk= 812, nxpk= 10, iat= 967, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 931, 932,
&end
#
# 0 AMB 10-2:813 105 ARG HN 8.00 (# 813:10 Single Ambig)
&rst
ixpk= 813, nxpk= 10, iat= -1, 118, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 128, 129, 128, 129,
&end
#
# 0 AMB 10-2:814 106 ARG HN 8.00 (# 814:10 Single Ambig)
&rst
ixpk= 814, nxpk= 10, iat= -1, 142, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1= 152, 153, 152, 153, 176, 177, 176, 177, 128, 129,
128, 129,
&end
#
# 182 GLU HA 183 ILE HN 3.50 (# 815:10 Unique 2.15, 2.24 A)
&rst
ixpk= 815, nxpk= 10, iat=1399,1412, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:816 109 GLY HN 6.00 (# 816:10 Single Ambig)
&rst
ixpk= 816, nxpk= 10, iat= -1, 214, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 173, 174, 173, 174, 197, 198, 197, 198,
&end
#
# 110 THR HN 109 GLY HN 8.00 (# 817:10 Unique 2.59, 4.12 A)
&rst
ixpk= 817, nxpk= 10, iat= 221, 214, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 10-2:818 111 ALA HN 8.00 (# 818:10 Single Ambig)
&rst
ixpk= 818, nxpk= 10, iat= -1, 235, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 216, 217, 216, 217,
&end
#
# 118 ALA HN 115 SER HN 8.00 (# 819:10 Unique 3.57, 4.28 A)
&rst
ixpk= 819, nxpk= 10, iat= 333, 290, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 10-2:820 117 ALA HN 6.00 (# 820:10 Single Ambig)
&rst
ixpk= 820, nxpk= 10, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 343, 290,
&end
#
# 0 AMB 10-2:821 0 AMB 10-1:821 4.50 (# 821:10 Double Ambig)
&rst
ixpk= 821, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 350, 351,1539,
igr2= 343,1551,
&end
#
# 0 AMB 10-2:822 169 VAL HN 6.00 (# 822:10 Single Ambig)
&rst
ixpk= 822, nxpk= 10, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1067,1145,1146,
&end
#
# 173 TYR HD 173 TYR HN 8.00 (# 823:10 Unique 3.69, 4.85 A)
&rst
ixpk= 823, nxpk= 10, iat= -1,1247, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1255,1264,
&end
#
# 0 AMB 10-2:824 122 GLU HN 3.50 (# 824:10 Single Ambig)
&rst
ixpk= 824, nxpk= 10, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 345, 386, 335,
&end
#
# 121 ARG HD- 122 GLU HN 8.00 (# 825:10 Unique 3.15, 5.48 A)
&rst
ixpk= 825, nxpk= 10, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 394, 395,
&end
#
# 125 ILE HA 129 LYS HN 8.00 (# 826:10 Unique 3.68, 3.87 A)
&rst
ixpk= 826, nxpk= 10, iat= 445, 517, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 124 ALA HA 127 THR HN 6.00 (# 827:10 Unique 3.35, 3.58 A)
&rst
ixpk= 827, nxpk= 10, iat= 435, 484, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:828 128 LEU HN 8.00 (# 828:10 Single Ambig)
&rst
ixpk= 828, nxpk= 10, iat= -1, 498, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 539, 577,
&end
#
# 140 LEU MDX 128 LEU HN 6.00 (# 829:10 Unique 4.03, 5.71 A)
&rst
ixpk= 829, nxpk= 10, iat= -1, 498, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 702, 703, 704, 706, 707, 708,
&end
#
# 133 ALA MB 134 ALA HN 3.20 (# 830:10 Unique 2.26, 3.23 A)
&rst
ixpk= 830, nxpk= 10, iat= -1, 605, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1= 599, 600, 601,
&end
#
# 135 ILE HN 134 ALA HN 8.00 (# 831:10 Unique 4.62, 4.67 A)
&rst
ixpk= 831, nxpk= 10, iat= 615, 605, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 177 TYR HE 137 SER HN 8.00 (# 832:10 Unique 3.69, 6.16 A)
&rst
ixpk= 832, nxpk= 10, iat= -1, 656, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1326,1331,
&end
#
# 0 AMB 10-2:833 0 AMB 10-1:833 4.50 (# 833:10 Double Ambig)
&rst
ixpk= 833, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 625, 626, 48, 49,
igr2= 693, 71,
&end
#
# 141 GLN HA 144 ILE HN 6.00 (# 834:10 Unique 3.27, 3.35 A)
&rst
ixpk= 834, nxpk= 10, iat= 714, 766, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:835 145 GLU HN 6.00 (# 835:10 Single Ambig)
&rst
ixpk= 835, nxpk= 10, iat= -1, 785, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 776, 777, 374, 375, 376, 378, 379, 380,
&end
#
# 120 LEU MDX 123 ALA HN 8.00 (# 836:10 Unique 5.00, 7.20 A)
&rst
ixpk= 836, nxpk= 10, iat= -1, 423, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 374, 375, 376, 378, 379, 380,
&end
#
# 146 LYS HG- 147 GLU HN 6.00 (# 837:10 Unique 3.28, 4.40 A)
&rst
ixpk= 837, nxpk= 10, iat= -1, 822, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 807, 808,
&end
#
# 0 AMB 10-2:838 148 SER HN 8.00 (# 838:10 Single Ambig)
&rst
ixpk= 838, nxpk= 10, iat= -1, 837, r1= 1.30, r2= 1.80, r3=10.46, r4=10.96,
igr1= 350, 351, 862, 807, 808,
&end
#
# 155 MET HN 156 THR HN 8.00 (# 839:10 Unique 2.89, 2.96 A)
&rst
ixpk= 839, nxpk= 10, iat= 936, 953, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 10-2:840 156 THR HN 4.50 (# 840:10 Single Ambig)
&rst
ixpk= 840, nxpk= 10, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 938, 971,
&end
#
# 154 ASN HB+ 156 THR HN 8.00 (# 841:10 Unique 4.72, 5.19 A)
&rst
ixpk= 841, nxpk= 10, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 926, 927,
&end
#
# 0 AMB 10-2:842 156 THR HN 6.00 (# 842:10 Single Ambig)
&rst
ixpk= 842, nxpk= 10, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 943, 944, 943, 944, 926, 927,
&end
#
# 159 MET HN 157 THR HN 8.00 (# 843:10 Unique 4.50, 4.58 A)
&rst
ixpk= 843, nxpk= 10, iat=1001, 967, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 156 THR HA 157 THR HN 4.50 (# 844:10 Unique 3.57, 3.61 A)
&rst
ixpk= 844, nxpk= 10, iat= 955, 967, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:845 158 PHE HN 6.00 (# 845:10 Single Ambig)
&rst
ixpk= 845, nxpk= 10, iat= -1, 981, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 955,1039,1040,1039,1040,
&end
#
# 156 THR HB 158 PHE HN 6.00 (# 846:10 Unique 5.07, 5.17 A)
&rst
ixpk= 846, nxpk= 10, iat= 957, 981, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:847 159 MET HN 6.00 (# 847:10 Single Ambig)
&rst
ixpk= 847, nxpk= 10, iat= -1,1001, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1=1012,1013,1014,1022,1023,
&end
#
# 0 AMB 10-2:848 161 SER HN 3.50 (# 848:10 Single Ambig)
&rst
ixpk= 848, nxpk= 10, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1020, 969,
&end
#
# 164 LYS HN 165 MET HN 3.50 (# 849:10 Unique 2.76, 2.81 A)
&rst
ixpk= 849, nxpk= 10, iat=1084,1106, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 166 TYR HD 166 TYR HN 4.50 (# 850:10 Unique 2.93, 4.13 A)
&rst
ixpk= 850, nxpk= 10, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1131,1140,
&end
#
# 163 ILE QG2 166 TYR HN 8.00 (# 851:10 Unique 5.27, 5.98 A)
&rst
ixpk= 851, nxpk= 10, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1=1071,1072,1073,
&end
#
# 168 GLU HG+ 168 GLU HN 6.00 (# 852:10 Unique 2.14, 3.36 A)
&rst
ixpk= 852, nxpk= 10, iat= -1,1158, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1165,1166,
&end
#
# 172 PRO HG+ 177 TYR HN 8.00 (# 853:10 Unique 4.55, 5.68 A)
&rst
ixpk= 853, nxpk= 10, iat= -1,1316, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1237,1238,
&end
#
# 187 GLU HA 187 GLU HN 3.50 (# 854:10 Unique 2.81, 2.90 A)
&rst
ixpk= 854, nxpk= 10, iat=1469,1467, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 188 SER HA 189 ALA HN 3.50 (# 855:10 Unique 2.16, 2.42 A)
&rst
ixpk= 855, nxpk= 10, iat=1484,1493, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 190 ASN HD2+ 190 ASN HN 8.00 (# 856:10 Unique 2.04, 4.66 A)
&rst
ixpk= 856, nxpk= 10, iat= -1,1503, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1512,1513,
&end
#
# 0 AMB 10-2:857 0 AMB 10-1:857 6.00 (# 857:10 Double Ambig)
&rst
ixpk= 857, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1=1497,1498,1499,1240,1241,
igr2=1517,1247,
&end
#
# 190 ASN HB- 192 LEU HN 8.00 (# 858:10 Unique 2.67, 4.84 A)
&rst
ixpk= 858, nxpk= 10, iat= -1,1532, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1507,1508,
&end
#
# 194 HIS HB+ 194 HIS HN 6.00 (# 859:10 Unique 2.36, 3.20 A)
&rst
ixpk= 859, nxpk= 10, iat= -1,1566, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1570,1571,
&end
#
# 179 LEU HA 179 LEU HN 8.00 (# 860:10 Unique 2.95, 2.99 A)
&rst
ixpk= 860, nxpk= 10, iat=1358,1356, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 178 ILE HA 179 LEU HN 6.00 (# 861:10 Unique 2.34, 2.41 A)
&rst
ixpk= 861, nxpk= 10, iat=1339,1356, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 179 LEU HB+ 179 LEU HN 6.00 (# 862:10 Unique 2.38, 2.88 A)
&rst
ixpk= 862, nxpk= 10, iat= -1,1356, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1360,1361,
&end
#
# 0 AMB 10-2:863 179 LEU HN 8.00 (# 863:10 Single Ambig)
&rst
ixpk= 863, nxpk= 10, iat= -1,1356, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1=1341,1196,1197,
&end
#
# 178 ILE HG1- 179 LEU HN 6.00 (# 864:10 Unique 2.03, 2.60 A)
&rst
ixpk= 864, nxpk= 10, iat= -1,1356, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1347,1348,
&end
#
# 179 LEU HB- 179 LEU HN 6.00 (# 865:10 Unique 2.38, 2.88 A)
&rst
ixpk= 865, nxpk= 10, iat= -1,1356, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1360,1361,
&end
#
# 178 ILE HG1+ 179 LEU HN 6.00 (# 866:10 Unique 2.03, 2.60 A)
&rst
ixpk= 866, nxpk= 10, iat= -1,1356, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1347,1348,
&end
#
# 0 AMB 10-2:867 179 LEU HN 6.00 (# 867:10 Single Ambig)
&rst
ixpk= 867, nxpk= 10, iat= -1,1356, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1365,1366,1367,1369,1370,1371,1179,1180,1181,1183,
1184,1185,
&end
#
# 192 LEU HB+ 190 ASN HD2- 8.00 (# 868:10 Unique 2.18, 7.16 A)
&rst
ixpk= 868, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1536,1537,
igr2=1512,1513,
&end
#
# 0 AMB 10-2:869 178 ILE HN 8.00 (# 869:10 Single Ambig)
&rst
ixpk= 869, nxpk= 10, iat= -1,1337, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=1196,1197,1347,1348,1240,1241,
&end
#
# 0 AMB 10-2:870 145 GLU HN 6.00 (# 870:10 Single Ambig)
&rst
ixpk= 870, nxpk= 10, iat= -1, 785, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 719, 720, 826, 827, 716, 717, 829, 830,
&end
#
# 135 ILE HA 136 LYS HN 2.80 (# 871:10 Unique 2.17, 2.22 A)
&rst
ixpk= 871, nxpk= 10, iat= 617, 634, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:872 166 TYR HN 8.00 (# 872:10 Single Ambig)
&rst
ixpk= 872, nxpk= 10, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1=1050,1051,1069,
&end
#
# 115 SER HB- 112 ARG HN 8.00 (# 873:10 Unique 2.58, 4.99 A)
&rst
ixpk= 873, nxpk= 10, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 294, 295,
&end
#
# 0 AMB 10-2:874 129 LYS HN 8.00 (# 874:10 Single Ambig)
&rst
ixpk= 874, nxpk= 10, iat= -1, 517, r1= 1.30, r2= 1.80, r3=12.95, r4=13.45,
igr1=1365,1366,1367,1369,1370,1371, 449, 450, 451,1425,
1426,1427, 507, 508, 509, 511, 512, 513,
&end
#
# 120 LEU MDX 121 ARG HN 8.00 (# 875:10 Unique 4.26, 5.64 A)
&rst
ixpk= 875, nxpk= 10, iat= -1, 384, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 374, 375, 376, 378, 379, 380,
&end
#
# 120 LEU MDY 121 ARG HN 6.00 (# 876:10 Unique 4.26, 5.64 A)
&rst
ixpk= 876, nxpk= 10, iat= -1, 384, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 374, 375, 376, 378, 379, 380,
&end
#
# 0 AMB 10-2:877 121 ARG HN 6.00 (# 877:10 Single Ambig)
&rst
ixpk= 877, nxpk= 10, iat= -1, 384, r1= 1.30, r2= 1.80, r3= 9.31, r4= 9.81,
igr1=1055,1056,1057,1059,1060,1061,1055,1056,1057,1059,
1060,1061, 453, 454,
&end
#
# 121 ARG HD- 121 ARG HN 8.00 (# 878:10 Unique 3.74, 5.09 A)
&rst
ixpk= 878, nxpk= 10, iat= -1, 384, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 394, 395,
&end
#
# 121 ARG HD+ 121 ARG HN 8.00 (# 879:10 Unique 3.74, 5.09 A)
&rst
ixpk= 879, nxpk= 10, iat= -1, 384, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 394, 395,
&end
#
# 0 AMB 10-2:880 125 ILE HN 6.00 (# 880:10 Single Ambig)
&rst
ixpk= 880, nxpk= 10, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 502, 503, 427, 428, 429,
&end
#
# 124 ALA MB 127 THR HN 6.00 (# 881:10 Unique 5.40, 5.70 A)
&rst
ixpk= 881, nxpk= 10, iat= -1, 484, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 437, 438, 439,
&end
#
# 0 AMB 10-2:882 161 SER HN 8.00 (# 882:10 Single Ambig)
&rst
ixpk= 882, nxpk= 10, iat= -1,1035, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1088,1089,1088,1089,
&end
#
# 144 ILE HB 142 LYS HN 6.00 (# 883:10 Unique 5.02, 5.09 A)
&rst
ixpk= 883, nxpk= 10, iat= 770, 729, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 163 ILE HB 164 LYS HN 4.50 (# 884:10 Unique 2.68, 2.80 A)
&rst
ixpk= 884, nxpk= 10, iat=1069,1084, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:885 139 GLU HN 8.00 (# 885:10 Single Ambig)
&rst
ixpk= 885, nxpk= 10, iat= -1, 678, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 697, 698, 619,
&end
#
# 123 ALA HA 148 SER HN 6.00 (# 886:10 Unique 4.75, 5.17 A)
&rst
ixpk= 886, nxpk= 10, iat= 425, 837, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 139 GLU HN 138 SER HN 8.00 (# 887:10 Unique 2.74, 2.84 A)
&rst
ixpk= 887, nxpk= 10, iat= 678, 667, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 152 ILE QG2 158 PHE HN 6.00 (# 888:10 Unique 4.19, 4.54 A)
&rst
ixpk= 888, nxpk= 10, iat= -1, 981, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 895, 896, 897,
&end
#
# 98 GLY HA- 99 ILE HN 3.50 (# 889:10 Unique 2.15, 2.88 A)
&rst
ixpk= 889, nxpk= 10, iat= -1, 38, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 33, 34,
&end
#
# 0 AMB 10-2:890 108 ARG HN 4.50 (# 890:10 Single Ambig)
&rst
ixpk= 890, nxpk= 10, iat= -1, 190, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 194, 195, 170, 171, 146, 147, 146, 147,
&end
#
# 130 ARG HB+ 131 HIS HN 6.00 (# 891:10 Unique 2.59, 3.32 A)
&rst
ixpk= 891, nxpk= 10, iat= -1, 563, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 543, 544,
&end
#
# 144 ILE QD1 144 ILE HN 4.50 (# 892:10 Unique 3.56, 4.28 A)
&rst
ixpk= 892, nxpk= 10, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 779, 780, 781,
&end
#
# 150 LEU MDY 151 GLU HN 6.00 (# 893:10 Unique 3.49, 5.12 A)
&rst
ixpk= 893, nxpk= 10, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 864, 865, 866, 868, 869, 870,
&end
#
# 132 ASN HB- 133 ALA HN 8.00 (# 894:10 Unique 2.53, 3.75 A)
&rst
ixpk= 894, nxpk= 10, iat= -1, 595, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 585, 586,
&end
#
# 145 GLU HA 150 LEU HN 6.00 (# 895:10 Unique 3.04, 3.14 A)
&rst
ixpk= 895, nxpk= 10, iat= 787, 855, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 150 LEU MDX 150 LEU HN 6.00 (# 896:10 Unique 2.62, 4.79 A)
&rst
ixpk= 896, nxpk= 10, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 864, 865, 866, 868, 869, 870,
&end
#
# 150 LEU HA 150 LEU HN 4.50 (# 897:10 Unique 2.95, 2.98 A)
&rst
ixpk= 897, nxpk= 10, iat= 857, 855, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 103 THR HA 103 THR HN 4.50 (# 898:10 Unique 2.65, 2.87 A)
&rst
ixpk= 898, nxpk= 10, iat= 92, 90, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 107 ARG HB+ 107 ARG HN 3.50 (# 899:10 Unique 2.33, 3.03 A)
&rst
ixpk= 899, nxpk= 10, iat= -1, 166, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 170, 171,
&end
#
# 144 ILE QD1 124 ALA HN 4.50 (# 900:10 Unique 4.07, 4.97 A)
&rst
ixpk= 900, nxpk= 10, iat= -1, 433, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 779, 780, 781,
&end
#
# 139 GLU HG+ 139 GLU HN 4.50 (# 901:10 Unique 2.16, 3.44 A)
&rst
ixpk= 901, nxpk= 10, iat= -1, 678, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 685, 686,
&end
#
# 139 GLU HA 142 LYS HN 6.00 (# 902:10 Unique 3.21, 3.38 A)
&rst
ixpk= 902, nxpk= 10, iat= 680, 729, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 104 THR HA 104 THR HN 3.50 (# 903:10 Unique 2.72, 2.86 A)
&rst
ixpk= 903, nxpk= 10, iat= 106, 104, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 190 ASN HB+ 190 ASN HN 3.50 (# 904:10 Unique 2.33, 2.82 A)
&rst
ixpk= 904, nxpk= 10, iat= -1,1503, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1507,1508,
&end
#
# 132 ASN HB+ 132 ASN HD2- 6.00 (# 905:10 Unique 2.23, 3.21 A)
&rst
ixpk= 905, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 585, 586,
igr2= 590, 591,
&end
#
# 132 ASN HB+ 132 ASN HD2+ 3.50 (# 906:10 Unique 2.23, 3.21 A)
&rst
ixpk= 906, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 585, 586,
igr2= 590, 591,
&end
#
# 160 GLN HG- 160 GLN HN 4.50 (# 907:10 Unique 2.36, 3.46 A)
&rst
ixpk= 907, nxpk= 10, iat= -1,1018, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1025,1026,
&end
#
# 0 AMB 10-2:908 142 LYS HN 6.00 (# 908:10 Single Ambig)
&rst
ixpk= 908, nxpk= 10, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 739, 740, 739, 740, 770,
&end
#
# 105 ARG HB- 105 ARG HN 4.50 (# 909:10 Unique 2.32, 2.97 A)
&rst
ixpk= 909, nxpk= 10, iat= -1, 118, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 122, 123,
&end
#
# 184 GLU HN 185 SER HN 6.00 (# 910:10 Unique 2.73, 3.98 A)
&rst
ixpk= 910, nxpk= 10, iat=1431,1446, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 112 ARG HB- 112 ARG HN 3.50 (# 911:10 Unique 2.29, 3.12 A)
&rst
ixpk= 911, nxpk= 10, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 249, 250,
&end
#
# 0 AMB 10-2:912 182 GLU HN 6.00 (# 912:10 Single Ambig)
&rst
ixpk= 912, nxpk= 10, iat= -1,1397, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1404,1405,1165,1166,
&end
#
# 0 AMB 10-2:913 127 THR HN 6.00 (# 913:10 Single Ambig)
&rst
ixpk= 913, nxpk= 10, iat= -1, 484, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 427, 428, 429, 502, 503,
&end
#
# 116 LYS HB+ 117 ALA HN 4.50 (# 914:10 Unique 2.47, 3.32 A)
&rst
ixpk= 914, nxpk= 10, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 305, 306,
&end
#
# 0 AMB 10-2:915 118 ALA HN 3.50 (# 915:10 Single Ambig)
&rst
ixpk= 915, nxpk= 10, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 325, 345,
&end
#
# 145 GLU HG- 145 GLU HN 3.20 (# 916:10 Unique 2.26, 2.85 A)
&rst
ixpk= 916, nxpk= 10, iat= -1, 785, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 792, 793,
&end
#
# 0 AMB 10-2:917 0 AMB 10-1:917 3.20 (# 917:10 Double Ambig)
&rst
ixpk= 917, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1022,1023, 412, 413,
igr2=1018, 462,
&end
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