NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
548254 |
2liz   |
17911 | cing | 1-original | 3 | AMBER | distance | NOE | ambi |
# 0 AMB 20-2:0 94 THR HB 6.00 (# 0:20 Single Ambig)
&rst
ixpk= 0, nxpk= 20, iat= -1,1444, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr1=1389,1390,1391,1385,1386,
&end
#
# 97 GLY HN 94 THR HB 5.00 (# 1:20 Unique 2.94, 2.94 A)
&rst
ixpk= 1, nxpk= 20, iat=1492,1444, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 95 ILE HN 94 THR HB 3.00 (# 2:20 Unique 2.59, 2.59 A)
&rst
ixpk= 2, nxpk= 20, iat=1454,1444, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:3 94 THR HB 4.00 (# 3:20 Single Ambig)
&rst
ixpk= 3, nxpk= 20, iat= -1,1444, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1499,1510,
&end
#
# 94 THR HN 94 THR HB 5.00 (# 4:20 Unique 3.64, 3.64 A)
&rst
ixpk= 4, nxpk= 20, iat=1440,1444, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 94 THR HA 94 THR HB 3.00 (# 5:20 Unique 2.54, 2.54 A)
&rst
ixpk= 5, nxpk= 20, iat=1442,1444, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 97 GLY HA+ 94 THR HB 4.00 (# 7:20 Unique 2.64, 3.35 A)
&rst
ixpk= 7, nxpk= 20, iat= -1,1444, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1494,1495,
&end
#
# 97 GLY HA- 94 THR HB 4.00 (# 8:20 Unique 2.64, 3.35 A)
&rst
ixpk= 8, nxpk= 20, iat= -1,1444, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1494,1495,
&end
#
# 0 AMB 20-2:9 94 THR HB 5.00 (# 9:20 Single Ambig)
&rst
ixpk= 9, nxpk= 20, iat= -1,1444, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1=1516,1517,1518,1420,1421,
&end
#
# 94 THR MG2 94 THR HB 3.00 (# 10:20 Unique 2.48, 2.67 A)
&rst
ixpk= 10, nxpk= 20, iat= -1,1444, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1446,1447,1448,
&end
#
# 13 THR HN 12 THR HB 3.00 (# 11:20 Unique 3.26, 3.26 A)
&rst
ixpk= 11, nxpk= 20, iat= 165, 155, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 54 GLU HN 12 THR HB 4.00 (# 12:20 Unique 3.05, 3.05 A)
&rst
ixpk= 12, nxpk= 20, iat= 848, 155, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 12 THR HN 12 THR HB 4.00 (# 13:20 Unique 3.34, 3.34 A)
&rst
ixpk= 13, nxpk= 20, iat= 151, 155, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 53 TYR HA 12 THR HB 5.00 (# 14:20 Unique 3.62, 3.62 A)
&rst
ixpk= 14, nxpk= 20, iat= 829, 155, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 12 THR HA 12 THR HB 3.00 (# 15:20 Unique 2.78, 2.78 A)
&rst
ixpk= 15, nxpk= 20, iat= 153, 155, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:16 12 THR HB 5.00 (# 16:20 Single Ambig)
&rst
ixpk= 16, nxpk= 20, iat= -1, 155, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 169, 143, 144,
&end
#
# 54 GLU HG+ 12 THR HB 4.00 (# 17:20 Unique 2.06, 2.37 A)
&rst
ixpk= 17, nxpk= 20, iat= -1, 155, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 855, 856,
&end
#
# 54 GLU HB- 12 THR HB 5.00 (# 18:20 Unique 4.24, 4.49 A)
&rst
ixpk= 18, nxpk= 20, iat= -1, 155, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 852, 853,
&end
#
# 12 THR MG2 12 THR HB 3.00 (# 19:20 Unique 2.48, 2.67 A)
&rst
ixpk= 19, nxpk= 20, iat= -1, 155, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 157, 158, 159,
&end
#
# 14 ILE HN 13 THR HB 6.00 (# 20:20 Unique 4.09, 4.09 A)
&rst
ixpk= 20, nxpk= 20, iat= 179, 169, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 53 TYR HD 13 THR HB 4.00 (# 21:20 Unique 3.11, 3.64 A)
&rst
ixpk= 21, nxpk= 20, iat= -1, 169, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 835, 844,
&end
#
# 0 AMB 20-2:22 13 THR HB 5.00 (# 22:20 Single Ambig)
&rst
ixpk= 22, nxpk= 20, iat= -1, 169, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 153, 815,
&end
#
# 13 THR HA 13 THR HB 4.00 (# 23:20 Unique 3.04, 3.04 A)
&rst
ixpk= 23, nxpk= 20, iat= 167, 169, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 13 THR HN 13 THR HB 3.00 (# 24:20 Unique 2.60, 2.60 A)
&rst
ixpk= 24, nxpk= 20, iat= 165, 169, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 54 GLU HN 13 THR HB 5.00 (# 25:20 Unique 3.98, 3.98 A)
&rst
ixpk= 25, nxpk= 20, iat= 848, 169, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 53 TYR HE 13 THR HB 5.00 (# 26:20 Unique 3.72, 4.13 A)
&rst
ixpk= 26, nxpk= 20, iat= -1, 169, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 837, 842,
&end
#
# 53 TYR HA 13 THR HB 3.00 (# 27:20 Unique 2.39, 2.39 A)
&rst
ixpk= 27, nxpk= 20, iat= 829, 169, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 12 THR MG2 13 THR HB 6.00 (# 28:20 Unique 4.92, 5.89 A)
&rst
ixpk= 28, nxpk= 20, iat= -1, 169, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 157, 158, 159,
&end
#
# 18 VAL MGX 13 THR HB 6.00 (# 29:20 Preassigned 4.42, 6.12 A)
&rst
ixpk= 29, nxpk= 20, iat= -1, 169, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 251, 252, 253, 255, 256, 257,
&end
#
# 13 THR MG2 13 THR HB 3.00 (# 30:20 Unique 2.48, 2.67 A)
&rst
ixpk= 30, nxpk= 20, iat= -1, 169, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 171, 172, 173,
&end
#
# 62 ASP HN 61 VAL HA 5.00 (# 31:20 Unique 3.58, 3.58 A)
&rst
ixpk= 31, nxpk= 20, iat= 973, 959, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 61 VAL HN 61 VAL HA 4.00 (# 32:20 Unique 2.87, 2.87 A)
&rst
ixpk= 32, nxpk= 20, iat= 957, 959, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 64 LEU HN 61 VAL HA 5.00 (# 33:20 Unique 3.55, 3.55 A)
&rst
ixpk= 33, nxpk= 20, iat=1004, 959, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 20-2:34 61 VAL HA 5.00 (# 34:20 Single Ambig)
&rst
ixpk= 34, nxpk= 20, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 975, 929,
&end
#
# 0 AMB 20-2:35 61 VAL HA 6.00 (# 35:20 Single Ambig)
&rst
ixpk= 35, nxpk= 20, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1153,1006,1025,1026,
&end
#
# 58 GLN HA 61 VAL HA 5.00 (# 36:20 Preassigned 5.13, 5.13 A)
&rst
ixpk= 36, nxpk= 20, iat= 912, 959, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 61 VAL HB 61 VAL HA 4.00 (# 37:20 Unique 3.02, 3.02 A)
&rst
ixpk= 37, nxpk= 20, iat= 961, 959, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 63 ILE HB 61 VAL HA 6.00 (# 38:20 Preassigned 5.57, 5.57 A)
&rst
ixpk= 38, nxpk= 20, iat= 989, 959, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:39 61 VAL HA 4.00 (# 39:20 Single Ambig)
&rst
ixpk= 39, nxpk= 20, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1008,1009,1155,
&end
#
# 0 AMB 20-2:40 61 VAL HA 5.00 (# 40:20 Single Ambig)
&rst
ixpk= 40, nxpk= 20, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 886, 887, 888, 890, 891, 892,1011,
&end
#
# 64 LEU HB- 61 VAL HA 4.00 (# 41:20 Unique 3.15, 3.98 A)
&rst
ixpk= 41, nxpk= 20, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1008,1009,
&end
#
# 75 VAL MGY 61 VAL HA 4.00 (# 42:20 Unique 2.23, 3.34 A)
&rst
ixpk= 42, nxpk= 20, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1157,1158,1159,1161,1162,1163,
&end
#
# 0 AMB 20-2:43 61 VAL HA 3.00 (# 43:20 Single Ambig)
&rst
ixpk= 43, nxpk= 20, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 963, 964, 965, 967, 968, 969, 963, 964, 965, 967,
968, 969,1013,1014,1015,1017,1018,1019,
&end
#
# 56 LEU HG 61 VAL HA 5.00 (# 44:20 Preassigned 4.91, 4.91 A)
&rst
ixpk= 44, nxpk= 20, iat= 884, 959, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 56 LEU MDX 61 VAL HA 5.00 (# 45:20 Unique 4.04, 5.44 A)
&rst
ixpk= 45, nxpk= 20, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 886, 887, 888, 890, 891, 892,
&end
#
# 15 THR HB 15 THR HA 5.00 (# 46:20 Unique 3.02, 3.02 A)
&rst
ixpk= 46, nxpk= 20, iat= 202, 200, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 16 LEU HN 15 THR HA 5.00 (# 47:20 Unique 3.52, 3.52 A)
&rst
ixpk= 47, nxpk= 20, iat= 212, 200, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 53 TYR HD 15 THR HA 4.00 (# 48:20 Unique 2.23, 4.37 A)
&rst
ixpk= 48, nxpk= 20, iat= -1, 200, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 835, 844,
&end
#
# 17 ASN HN 15 THR HA 5.00 (# 49:20 Unique 4.10, 4.10 A)
&rst
ixpk= 49, nxpk= 20, iat= 231, 200, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 53 TYR HE 15 THR HA 5.00 (# 50:20 Unique 2.96, 4.88 A)
&rst
ixpk= 50, nxpk= 20, iat= -1, 200, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 837, 842,
&end
#
# 25 ALA MB 26 VAL HA 4.00 (# 52:20 Preassigned 4.41, 4.91 A)
&rst
ixpk= 52, nxpk= 20, iat= -1, 376, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 368, 369, 370,
&end
#
# 0 AMB 20-2:53 26 VAL HA 4.00 (# 53:20 Single Ambig)
&rst
ixpk= 53, nxpk= 20, iat= -1, 376, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 430, 390,
&end
#
# 0 AMB 20-2:54 26 VAL HA 3.00 (# 54:20 Single Ambig)
&rst
ixpk= 54, nxpk= 20, iat= -1, 376, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 374, 442,
&end
#
# 26 VAL HB 26 VAL HA 3.00 (# 55:20 Unique 3.04, 3.04 A)
&rst
ixpk= 55, nxpk= 20, iat= 378, 376, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 31 ARG HB+ 26 VAL HA 4.00 (# 56:20 Unique 2.32, 3.11 A)
&rst
ixpk= 56, nxpk= 20, iat= -1, 376, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 446, 447,
&end
#
# 26 VAL MGY 26 VAL HA 3.00 (# 57:20 Unique 2.54, 3.16 A)
&rst
ixpk= 57, nxpk= 20, iat= -1, 376, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 380, 381, 382, 384, 385, 386,
&end
#
# 26 VAL MGX 26 VAL HA 3.00 (# 58:20 Unique 2.54, 3.16 A)
&rst
ixpk= 58, nxpk= 20, iat= -1, 376, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 380, 381, 382, 384, 385, 386,
&end
#
# 110 VAL HN 110 VAL HA 3.00 (# 59:20 Unique 2.92, 2.92 A)
&rst
ixpk= 59, nxpk= 20, iat=1684,1686, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 51 TYR HD 47 VAL HA 4.00 (# 64:20 Unique 4.53, 6.31 A)
&rst
ixpk= 64, nxpk= 20, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 800, 809,
&end
#
# 48 ALA HN 47 VAL HA 5.00 (# 68:20 Unique 3.60, 3.60 A)
&rst
ixpk= 68, nxpk= 20, iat= 743, 729, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 20-2:69 47 VAL HA 4.00 (# 69:20 Single Ambig)
&rst
ixpk= 69, nxpk= 20, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 770, 792,
&end
#
# 47 VAL HN 47 VAL HA 3.00 (# 70:20 Unique 2.90, 2.90 A)
&rst
ixpk= 70, nxpk= 20, iat= 727, 729, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 51 TYR HE 47 VAL HA 5.00 (# 71:20 Unique 3.26, 5.37 A)
&rst
ixpk= 71, nxpk= 20, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 802, 807,
&end
#
# 0 AMB 20-2:72 47 VAL HA 4.00 (# 72:20 Single Ambig)
&rst
ixpk= 72, nxpk= 20, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 780, 781, 780, 781,
&end
#
# 0 AMB 20-2:73 47 VAL HA 3.00 (# 73:20 Single Ambig)
&rst
ixpk= 73, nxpk= 20, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 731, 712, 713,
&end
#
# 27 ILE HN 27 ILE HA 4.00 (# 74:20 Unique 2.92, 2.92 A)
&rst
ixpk= 74, nxpk= 20, iat= 390, 392, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 28 ASN HA 27 ILE HA 5.00 (# 75:20 Unique 4.63, 4.63 A)
&rst
ixpk= 75, nxpk= 20, iat= 411, 392, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 27 ILE HG1- 27 ILE HA 4.00 (# 76:20 Unique 2.54, 2.60 A)
&rst
ixpk= 76, nxpk= 20, iat= -1, 392, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 400, 401,
&end
#
# 71 THR MG2 27 ILE HA 4.00 (# 77:20 Unique 3.54, 4.28 A)
&rst
ixpk= 77, nxpk= 20, iat= -1, 392, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1107,1108,1109,
&end
#
# 26 VAL HB 27 ILE HA 5.00 (# 78:20 Unique 4.63, 4.63 A)
&rst
ixpk= 78, nxpk= 20, iat= 378, 392, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 20-2:79 23 TYR HA 5.00 (# 79:20 Single Ambig)
&rst
ixpk= 79, nxpk= 20, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 403, 404, 405,1053,1054,1055,1057,1058,1059,
&end
#
# 63 ILE HN 63 ILE HA 4.00 (# 80:20 Unique 2.87, 2.87 A)
&rst
ixpk= 80, nxpk= 20, iat= 985, 987, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 65 GLY HN 63 ILE HA 5.00 (# 81:20 Unique 3.59, 3.59 A)
&rst
ixpk= 81, nxpk= 20, iat=1023, 987, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 64 LEU HN 63 ILE HA 5.00 (# 82:20 Unique 3.63, 3.63 A)
&rst
ixpk= 82, nxpk= 20, iat=1004, 987, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 63 ILE HB 63 ILE HA 4.00 (# 83:20 Unique 3.06, 3.06 A)
&rst
ixpk= 83, nxpk= 20, iat= 989, 987, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 63 ILE HG1- 63 ILE HA 3.00 (# 84:20 Unique 2.82, 2.86 A)
&rst
ixpk= 84, nxpk= 20, iat= -1, 987, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 995, 996,
&end
#
# 63 ILE HG1+ 63 ILE HA 3.00 (# 86:20 Unique 2.82, 2.86 A)
&rst
ixpk= 86, nxpk= 20, iat= -1, 987, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 995, 996,
&end
#
# 0 AMB 20-2:87 63 ILE HA 3.00 (# 87:20 Single Ambig)
&rst
ixpk= 87, nxpk= 20, iat= -1, 987, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 991, 992, 993, 998, 999,1000,
&end
#
# 23 TYR HB- 23 TYR HA 4.00 (# 88:20 Unique 2.51, 2.77 A)
&rst
ixpk= 88, nxpk= 20, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 337, 338,
&end
#
# 0 AMB 20-2:89 63 ILE HA 5.00 (# 89:20 Single Ambig)
&rst
ixpk= 89, nxpk= 20, iat= -1, 987, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 975, 929,
&end
#
# 83 LYS HN 79 CYS HA 5.00 (# 90:20 Unique 4.01, 4.01 A)
&rst
ixpk= 90, nxpk= 20, iat=1265,1217, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 79 CYS HN 79 CYS HA 4.00 (# 91:20 Unique 2.83, 2.83 A)
&rst
ixpk= 91, nxpk= 20, iat=1215,1217, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 82 LEU HN 79 CYS HA 4.00 (# 92:20 Unique 3.71, 3.71 A)
&rst
ixpk= 92, nxpk= 20, iat=1246,1217, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 80 ALA HN 79 CYS HA 5.00 (# 93:20 Unique 3.63, 3.63 A)
&rst
ixpk= 93, nxpk= 20, iat=1226,1217, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 20-2:94 79 CYS HA 4.00 (# 94:20 Single Ambig)
&rst
ixpk= 94, nxpk= 20, iat= -1,1217, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 684, 688, 682, 690,
&end
#
# 79 CYS HB+ 79 CYS HA 4.00 (# 95:20 Unique 2.57, 2.82 A)
&rst
ixpk= 95, nxpk= 20, iat= -1,1217, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1219,1220,
&end
#
# 79 CYS HB- 79 CYS HA 3.00 (# 96:20 Unique 2.57, 2.82 A)
&rst
ixpk= 96, nxpk= 20, iat= -1,1217, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1219,1220,
&end
#
# 0 AMB 20-2:97 79 CYS HA 5.00 (# 97:20 Single Ambig)
&rst
ixpk= 97, nxpk= 20, iat= -1,1217, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1255,1256,1257,1259,1260,1261,1230,1231,1232,
&end
#
# 82 LEU HB- 79 CYS HA 4.00 (# 98:20 Unique 2.88, 3.31 A)
&rst
ixpk= 98, nxpk= 20, iat= -1,1217, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1250,1251,
&end
#
# 82 LEU HG 79 CYS HA 6.00 (# 99:20 Preassigned 4.43, 4.43 A)
&rst
ixpk= 99, nxpk= 20, iat=1253,1217, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:100 79 CYS HA 3.00 (# 100:20 Single Ambig)
&rst
ixpk= 100, nxpk= 20, iat= -1,1217, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 270, 271, 272, 274, 275, 276, 270, 271, 272, 274,
275, 276,
&end
#
# 81 ALA HN 79 CYS HA 6.00 (# 101:20 Unique 4.66, 4.66 A)
&rst
ixpk= 101, nxpk= 20, iat=1236,1217, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:102 79 CYS HA 5.00 (# 102:20 Single Ambig)
&rst
ixpk= 102, nxpk= 20, iat= -1,1217, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 268, 636,1275,1276,1171,1172,
&end
#
# 115 SER HA 115 SER HB+ 3.00 (# 103:20 Unique 2.43, 2.73 A)
&rst
ixpk= 103, nxpk= 20, iat=1770, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1772,1773,
&end
#
# 0 AMB 20-2:105 0 AMB 20-1:105 6.00 (# 105:20 Double Ambig)
&rst
ixpk= 105, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1=1157,1158,1159,1161,1162,1163,1128,1129,1130,
igr2=1067,1068,1067,1068,
&end
#
# 0 AMB 20-2:108 0 AMB 20-1:108 3.00 (# 108:20 Double Ambig)
&rst
ixpk= 108, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1768,1063,
igr2=1772,1773,1067,1068,
&end
#
# 23 TYR HE 68 SER HB+ 5.00 (# 109:20 Unique 4.04, 5.10 A)
&rst
ixpk= 109, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 343, 348,
igr2=1067,1068,
&end
#
# 0 AMB 20-2:110 0 AMB 20-1:110 3.00 (# 110:20 Double Ambig)
&rst
ixpk= 110, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1065,1143,1025,1026,
igr2=1067,1068,1067,1068,1067,1068,
&end
#
# 0 AMB 20-2:111 0 AMB 20-1:111 4.00 (# 111:20 Double Ambig)
&rst
ixpk= 111, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1=1008,1009,1126,1155,
igr2=1067,1068,1067,1068,1067,1068,
&end
#
# 75 VAL HN 68 SER HB+ 4.00 (# 112:20 Unique 3.40, 3.98 A)
&rst
ixpk= 112, nxpk= 20, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1067,1068,
&end
#
# 69 ALA HN 68 SER HB+ 4.00 (# 113:20 Unique 2.55, 3.17 A)
&rst
ixpk= 113, nxpk= 20, iat=1074, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1067,1068,
&end
#
# 73 ILE HN 68 SER HB+ 6.00 (# 114:20 Unique 4.34, 4.89 A)
&rst
ixpk= 114, nxpk= 20, iat=1122, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1067,1068,
&end
#
# 0 AMB 20-2:115 0 AMB 20-1:115 4.00 (# 115:20 Double Ambig)
&rst
ixpk= 115, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 346,1044,
igr2=1067,1068,1067,1068,
&end
#
# 74 ALA MB 68 SER HB+ 5.00 (# 116:20 Preassigned 5.00, 5.93 A)
&rst
ixpk= 116, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1145,1146,1147,
igr2=1067,1068,
&end
#
# 75 VAL MGY 68 SER HB+ 3.00 (# 117:20 Unique 3.23, 5.57 A)
&rst
ixpk= 117, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1157,1158,1159,1161,1162,1163,
igr2=1067,1068,
&end
#
# 44 PHE HN 44 PHE HA 4.00 (# 118:20 Unique 2.82, 2.82 A)
&rst
ixpk= 118, nxpk= 20, iat= 674, 676, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 83 LYS HE+ 44 PHE HA 5.00 (# 119:20 Unique 4.67, 5.29 A)
&rst
ixpk= 119, nxpk= 20, iat= -1, 676, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1278,1279,
&end
#
# 0 AMB 20-2:120 44 PHE HA 4.00 (# 120:20 Single Ambig)
&rst
ixpk= 120, nxpk= 20, iat= -1, 676, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 731,1219,1220,
&end
#
# 0 AMB 20-2:121 44 PHE HA 4.00 (# 121:20 Single Ambig)
&rst
ixpk= 121, nxpk= 20, iat= -1, 676, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1272,1273,1272,1273,
&end
#
# 39 THR MG2 44 PHE HA 4.00 (# 122:20 Unique 3.67, 4.04 A)
&rst
ixpk= 122, nxpk= 20, iat= -1, 676, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 607, 608, 609,
&end
#
# 0 AMB 20-2:123 44 PHE HA 5.00 (# 123:20 Single Ambig)
&rst
ixpk= 123, nxpk= 20, iat= -1, 676, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 733, 734, 735, 737, 738, 739, 747, 748, 749,
&end
#
# 45 ASN HN 44 PHE HA 5.00 (# 124:20 Unique 3.59, 3.59 A)
&rst
ixpk= 124, nxpk= 20, iat= 694, 676, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 44 PHE HD 44 PHE HA 3.00 (# 125:20 Unique 2.55, 3.52 A)
&rst
ixpk= 125, nxpk= 20, iat= -1, 676, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 682, 690,
&end
#
# 47 VAL HN 44 PHE HA 4.00 (# 126:20 Unique 3.74, 3.74 A)
&rst
ixpk= 126, nxpk= 20, iat= 727, 676, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 44 PHE HB- 44 PHE HA 3.00 (# 127:20 Unique 2.45, 2.75 A)
&rst
ixpk= 127, nxpk= 20, iat= -1, 676, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 678, 679,
&end
#
# 83 LYS HD+ 44 PHE HA 4.00 (# 128:20 Unique 3.06, 3.90 A)
&rst
ixpk= 128, nxpk= 20, iat= -1, 676, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1275,1276,
&end
#
# 14 ILE HN 14 ILE HA 5.00 (# 129:20 Unique 2.92, 2.92 A)
&rst
ixpk= 129, nxpk= 20, iat= 179, 181, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 15 THR HN 14 ILE HA 3.00 (# 130:20 Unique 2.09, 2.09 A)
&rst
ixpk= 130, nxpk= 20, iat= 198, 181, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 15 THR HA 14 ILE HA 5.00 (# 131:20 Unique 4.50, 4.50 A)
&rst
ixpk= 131, nxpk= 20, iat= 200, 181, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 54 GLU HG+ 14 ILE HA 4.00 (# 132:20 Unique 3.27, 4.10 A)
&rst
ixpk= 132, nxpk= 20, iat= -1, 181, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 855, 856,
&end
#
# 54 GLU HB+ 14 ILE HA 5.00 (# 133:20 Unique 3.77, 4.49 A)
&rst
ixpk= 133, nxpk= 20, iat= -1, 181, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 852, 853,
&end
#
# 14 ILE HG1- 14 ILE HA 4.00 (# 134:20 Unique 2.55, 2.83 A)
&rst
ixpk= 134, nxpk= 20, iat= -1, 181, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 189, 190,
&end
#
# 0 AMB 20-2:135 14 ILE HA 5.00 (# 135:20 Single Ambig)
&rst
ixpk= 135, nxpk= 20, iat= -1, 181, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 216, 217, 204, 205, 206,
&end
#
# 14 ILE HG1+ 14 ILE HA 4.00 (# 136:20 Unique 2.55, 2.83 A)
&rst
ixpk= 136, nxpk= 20, iat= -1, 181, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 189, 190,
&end
#
# 14 ILE QG2 14 ILE HA 3.00 (# 137:20 Unique 2.45, 3.05 A)
&rst
ixpk= 137, nxpk= 20, iat= -1, 181, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 185, 186, 187,
&end
#
# 0 AMB 20-2:138 14 ILE HA 5.00 (# 138:20 Single Ambig)
&rst
ixpk= 138, nxpk= 20, iat= -1, 181, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 171, 172, 173, 886, 887, 888, 890, 891, 892,
&end
#
# 83 LYS HB+ 83 LYS HA 4.00 (# 139:20 Unique 2.43, 2.73 A)
&rst
ixpk= 139, nxpk= 20, iat= -1,1267, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1269,1270,
&end
#
# 0 AMB 20-2:140 83 LYS HA 5.00 (# 140:20 Single Ambig)
&rst
ixpk= 140, nxpk= 20, iat= -1,1267, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1275,1276, 774, 775,
&end
#
# 0 AMB 20-2:141 83 LYS HA 3.00 (# 141:20 Single Ambig)
&rst
ixpk= 141, nxpk= 20, iat= -1,1267, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1272,1273,1272,1273,
&end
#
# 86 LEU HB+ 83 LYS HA 4.00 (# 142:20 Unique 2.71, 3.50 A)
&rst
ixpk= 142, nxpk= 20, iat= -1,1267, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1325,1326,
&end
#
# 47 VAL MGX 83 LYS HA 4.00 (# 143:20 Unique 3.68, 5.23 A)
&rst
ixpk= 143, nxpk= 20, iat= -1,1267, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 733, 734, 735, 737, 738, 739,
&end
#
# 86 LEU MDY 83 LYS HA 4.00 (# 144:20 Unique 2.38, 4.37 A)
&rst
ixpk= 144, nxpk= 20, iat= -1,1267, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1330,1331,1332,1334,1335,1336,
&end
#
# 83 LYS HN 83 LYS HA 4.00 (# 145:20 Unique 2.83, 2.83 A)
&rst
ixpk= 145, nxpk= 20, iat=1265,1267, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 86 LEU HN 83 LYS HA 5.00 (# 146:20 Unique 3.19, 3.19 A)
&rst
ixpk= 146, nxpk= 20, iat=1321,1267, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 20-2:147 83 LYS HA 4.00 (# 147:20 Single Ambig)
&rst
ixpk= 147, nxpk= 20, iat= -1,1267, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 684, 688,1287,
&end
#
# 83 LYS HB- 83 LYS HA 3.00 (# 148:20 Unique 2.43, 2.73 A)
&rst
ixpk= 148, nxpk= 20, iat= -1,1267, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1269,1270,
&end
#
# 19 LEU HN 19 LEU HA 4.00 (# 149:20 Unique 2.85, 2.85 A)
&rst
ixpk= 149, nxpk= 20, iat= 261, 263, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 20 ALA HN 19 LEU HA 5.00 (# 150:20 Unique 3.61, 3.61 A)
&rst
ixpk= 150, nxpk= 20, iat= 280, 263, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 52 ASN HN 50 LYS HA 6.00 (# 151:20 Preassigned 3.72, 3.72 A)
&rst
ixpk= 151, nxpk= 20, iat= 813, 772, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:152 50 LYS HA 3.00 (# 152:20 Single Ambig)
&rst
ixpk= 152, nxpk= 20, iat= -1, 772, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 770, 792,
&end
#
# 19 LEU HB- 19 LEU HA 3.00 (# 154:20 Unique 2.51, 2.77 A)
&rst
ixpk= 154, nxpk= 20, iat= -1, 263, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 265, 266,
&end
#
# 0 AMB 20-2:155 0 AMB 20-1:155 3.00 (# 155:20 Double Ambig)
&rst
ixpk= 155, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 774, 775, 268,
igr2= 772, 263,
&end
#
# 50 LYS HG+ 50 LYS HA 3.00 (# 156:20 Unique 2.58, 2.79 A)
&rst
ixpk= 156, nxpk= 20, iat= -1, 772, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 777, 778,
&end
#
# 0 AMB 20-2:157 19 LEU HA 3.00 (# 157:20 Single Ambig)
&rst
ixpk= 157, nxpk= 20, iat= -1, 263, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 270, 271, 272, 274, 275, 276, 270, 271, 272, 274,
275, 276,
&end
#
# 16 LEU HN 16 LEU HA 4.00 (# 158:20 Unique 2.78, 2.78 A)
&rst
ixpk= 158, nxpk= 20, iat= 212, 214, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 19 LEU HN 16 LEU HA 5.00 (# 159:20 Unique 3.94, 3.94 A)
&rst
ixpk= 159, nxpk= 20, iat= 261, 214, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 17 ASN HN 16 LEU HA 5.00 (# 160:20 Unique 3.58, 3.58 A)
&rst
ixpk= 160, nxpk= 20, iat= 231, 214, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 19 LEU HB- 16 LEU HA 4.00 (# 161:20 Unique 2.94, 3.73 A)
&rst
ixpk= 161, nxpk= 20, iat= -1, 214, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 265, 266,
&end
#
# 16 LEU HB+ 16 LEU HA 3.00 (# 162:20 Unique 2.43, 2.74 A)
&rst
ixpk= 162, nxpk= 20, iat= -1, 214, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 216, 217,
&end
#
# 0 AMB 20-2:163 16 LEU HA 3.00 (# 163:20 Single Ambig)
&rst
ixpk= 163, nxpk= 20, iat= -1, 214, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 216, 217, 265, 266,
&end
#
# 0 AMB 20-2:164 16 LEU HA 3.00 (# 164:20 Single Ambig)
&rst
ixpk= 164, nxpk= 20, iat= -1, 214, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 221, 222, 223, 225, 226, 227,1013,1014,1015,1017,
1018,1019,
&end
#
# 0 AMB 20-2:165 16 LEU HA 3.00 (# 165:20 Single Ambig)
&rst
ixpk= 165, nxpk= 20, iat= -1, 214, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 270, 271, 272, 274, 275, 276, 270, 271, 272, 274,
275, 276,
&end
#
# 0 AMB 20-2:166 76 LEU HA 3.00 (# 166:20 Single Ambig)
&rst
ixpk= 166, nxpk= 20, iat= -1,1169, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1171,1172,1174,
&end
#
# 0 AMB 20-2:167 0 AMB 20-1:167 4.00 (# 167:20 Double Ambig)
&rst
ixpk= 167, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 910,1167,
igr2= 912,1169,
&end
#
# 79 CYS HN 76 LEU HA 4.00 (# 168:20 Unique 3.48, 3.48 A)
&rst
ixpk= 168, nxpk= 20, iat=1215,1169, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:169 0 AMB 20-1:169 5.00 (# 169:20 Double Ambig)
&rst
ixpk= 169, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 973, 601,
igr2= 912,1169,
&end
#
# 0 AMB 20-2:170 0 AMB 20-1:170 4.00 (# 170:20 Double Ambig)
&rst
ixpk= 170, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 922, 923,1226,
igr2= 912,1169,
&end
#
# 61 VAL HN 58 GLN HA 4.00 (# 171:20 Unique 3.44, 3.44 A)
&rst
ixpk= 171, nxpk= 20, iat= 957, 912, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 60 HIS HN 58 GLN HA 5.00 (# 172:20 Preassigned 4.63, 4.63 A)
&rst
ixpk= 172, nxpk= 20, iat= 939, 912, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 58 GLN HE2- 58 GLN HA 6.00 (# 173:20 Unique 2.69, 3.04 A)
&rst
ixpk= 173, nxpk= 20, iat= -1, 912, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 922, 923,
&end
#
# 0 AMB 20-2:175 58 GLN HA 3.00 (# 175:20 Single Ambig)
&rst
ixpk= 175, nxpk= 20, iat= -1, 912, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 961, 917, 918,
&end
#
# 58 GLN HB+ 58 GLN HA 3.00 (# 176:20 Unique 2.43, 2.73 A)
&rst
ixpk= 176, nxpk= 20, iat= -1, 912, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 914, 915,
&end
#
# 0 AMB 20-2:177 58 GLN HA 4.00 (# 177:20 Single Ambig)
&rst
ixpk= 177, nxpk= 20, iat= -1, 912, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 963, 964, 965, 967, 968, 969, 963, 964, 965, 967,
968, 969,
&end
#
# 61 VAL HA 58 GLN HA 6.00 (# 178:20 Preassigned 5.13, 5.13 A)
&rst
ixpk= 178, nxpk= 20, iat= 959, 912, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 19 LEU HG 16 LEU HA 4.00 (# 180:20 Unique 4.23, 4.23 A)
&rst
ixpk= 180, nxpk= 20, iat= 268, 214, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 77 ASP HN 76 LEU HA 5.00 (# 181:20 Unique 3.54, 3.54 A)
&rst
ixpk= 181, nxpk= 20, iat=1186,1169, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 80 ALA MB 76 LEU HA 6.00 (# 182:20 Preassigned 5.50, 6.24 A)
&rst
ixpk= 182, nxpk= 20, iat= -1,1169, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1230,1231,1232,
&end
#
# 0 AMB 20-2:183 76 LEU HA 3.00 (# 183:20 Single Ambig)
&rst
ixpk= 183, nxpk= 20, iat= -1,1169, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 593, 594, 595, 607, 608, 609,
&end
#
# 76 LEU MDY 76 LEU HA 3.00 (# 184:20 Unique 2.26, 3.32 A)
&rst
ixpk= 184, nxpk= 20, iat= -1,1169, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1176,1177,1178,1180,1181,1182,
&end
#
# 79 CYS HB+ 76 LEU HA 3.00 (# 185:20 Unique 2.58, 3.33 A)
&rst
ixpk= 185, nxpk= 20, iat= -1,1169, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1219,1220,
&end
#
# 0 AMB 20-2:186 22 LEU HA 3.00 (# 186:20 Single Ambig)
&rst
ixpk= 186, nxpk= 20, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 314, 364,
&end
#
# 0 AMB 20-2:187 22 LEU HA 5.00 (# 187:20 Single Ambig)
&rst
ixpk= 187, nxpk= 20, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 502, 307,
&end
#
# 22 LEU HB+ 22 LEU HA 3.00 (# 189:20 Unique 2.55, 2.78 A)
&rst
ixpk= 189, nxpk= 20, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 318, 319,
&end
#
# 0 AMB 20-2:190 22 LEU HA 3.00 (# 190:20 Single Ambig)
&rst
ixpk= 190, nxpk= 20, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 318, 319, 368, 369, 370,
&end
#
# 22 LEU MDY 22 LEU HA 4.00 (# 191:20 Unique 2.09, 3.71 A)
&rst
ixpk= 191, nxpk= 20, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 323, 324, 325, 327, 328, 329,
&end
#
# 22 LEU MDX 22 LEU HA 3.00 (# 192:20 Unique 2.09, 3.71 A)
&rst
ixpk= 192, nxpk= 20, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 323, 324, 325, 327, 328, 329,
&end
#
# 0 AMB 20-2:193 82 LEU HA 3.00 (# 193:20 Single Ambig)
&rst
ixpk= 193, nxpk= 20, iat= -1,1248, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1250,1251,1306,1307,
&end
#
# 82 LEU MDX 82 LEU HA 3.00 (# 194:20 Unique 2.19, 3.42 A)
&rst
ixpk= 194, nxpk= 20, iat= -1,1248, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1255,1256,1257,1259,1260,1261,
&end
#
# 85 LEU HG 82 LEU HA 4.00 (# 195:20 Unique 3.70, 3.70 A)
&rst
ixpk= 195, nxpk= 20, iat=1309,1248, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:196 82 LEU HA 4.00 (# 196:20 Single Ambig)
&rst
ixpk= 196, nxpk= 20, iat= -1,1248, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1246,1321,
&end
#
# 85 LEU HN 82 LEU HA 4.00 (# 197:20 Unique 3.19, 3.19 A)
&rst
ixpk= 197, nxpk= 20, iat=1302,1248, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:198 0 AMB 20-1:198 3.00 (# 198:20 Double Ambig)
&rst
ixpk= 198, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1250,1251,1593,1594,
igr2=1248,1591,
&end
#
# 105 PHE HN 104 GLU HA 4.00 (# 199:20 Unique 3.27, 3.27 A)
&rst
ixpk= 199, nxpk= 20, iat=1604,1591, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 104 GLU HN 104 GLU HA 3.00 (# 200:20 Unique 2.95, 2.95 A)
&rst
ixpk= 200, nxpk= 20, iat=1589,1591, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 17 ASN HD2- 104 GLU HA 5.00 (# 201:20 Unique 3.33, 3.95 A)
&rst
ixpk= 201, nxpk= 20, iat= -1,1591, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 240, 241,
&end
#
# 104 GLU HB+ 104 GLU HA 3.00 (# 202:20 Preassigned 2.46, 2.75 A)
&rst
ixpk= 202, nxpk= 20, iat= -1,1591, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1593,1594,
&end
#
# 21 TRP HE3 22 LEU HA 5.00 (# 203:20 Unique 3.96, 3.96 A)
&rst
ixpk= 203, nxpk= 20, iat= 309, 316, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 70 GLN HN 67 LEU HA 5.00 (# 204:20 Unique 3.51, 3.51 A)
&rst
ixpk= 204, nxpk= 20, iat=1084,1046, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 67 LEU HN 67 LEU HA 4.00 (# 205:20 Unique 2.90, 2.90 A)
&rst
ixpk= 205, nxpk= 20, iat=1044,1046, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:206 67 LEU HA 4.00 (# 206:20 Single Ambig)
&rst
ixpk= 206, nxpk= 20, iat= -1,1046, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1088,1089,1091,1092,
&end
#
# 0 AMB 20-2:207 67 LEU HA 4.00 (# 207:20 Single Ambig)
&rst
ixpk= 207, nxpk= 20, iat= -1,1046, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1051,1107,1108,1109,
&end
#
# 0 AMB 20-2:208 67 LEU HA 4.00 (# 208:20 Single Ambig)
&rst
ixpk= 208, nxpk= 20, iat= -1,1046, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1053,1054,1055,1057,1058,1059, 403, 404, 405,
&end
#
# 86 LEU HN 86 LEU HA 4.00 (# 209:20 Unique 2.89, 2.89 A)
&rst
ixpk= 209, nxpk= 20, iat=1321,1323, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 101 LEU MDY 86 LEU HA 6.00 (# 210:20 Preassigned 3.74, 5.44 A)
&rst
ixpk= 210, nxpk= 20, iat= -1,1323, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1552,1553,1554,1556,1557,1558,
&end
#
# 68 SER HN 67 LEU HA 5.00 (# 212:20 Unique 3.60, 3.60 A)
&rst
ixpk= 212, nxpk= 20, iat=1063,1046, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 87 GLN HN 86 LEU HA 5.00 (# 213:20 Unique 3.60, 3.60 A)
&rst
ixpk= 213, nxpk= 20, iat=1340,1323, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 86 LEU HB+ 86 LEU HA 3.00 (# 214:20 Unique 2.50, 2.75 A)
&rst
ixpk= 214, nxpk= 20, iat= -1,1323, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1325,1326,
&end
#
# 86 LEU MDX 86 LEU HA 3.00 (# 215:20 Unique 2.15, 3.83 A)
&rst
ixpk= 215, nxpk= 20, iat= -1,1323, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1330,1331,1332,1334,1335,1336,
&end
#
# 86 LEU HB- 86 LEU HA 3.00 (# 216:20 Unique 2.50, 2.75 A)
&rst
ixpk= 216, nxpk= 20, iat= -1,1323, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1325,1326,
&end
#
# 105 PHE HD 102 GLU HA 6.00 (# 217:20 Preassigned 5.57, 7.55 A)
&rst
ixpk= 217, nxpk= 20, iat= -1,1564, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1612,1620,
&end
#
# 103 ASP HA 102 GLU HA 6.00 (# 218:20 Preassigned 4.59, 4.59 A)
&rst
ixpk= 218, nxpk= 20, iat=1579,1564, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 18 VAL HA 102 GLU HA 6.00 (# 219:20 Unique 5.69, 5.69 A)
&rst
ixpk= 219, nxpk= 20, iat= 247,1564, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 102 GLU HB- 102 GLU HA 3.00 (# 220:20 Unique 2.39, 2.70 A)
&rst
ixpk= 220, nxpk= 20, iat= -1,1564, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1566,1567,
&end
#
# 103 ASP HN 102 GLU HA 3.00 (# 221:20 Unique 2.32, 2.32 A)
&rst
ixpk= 221, nxpk= 20, iat=1577,1564, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 104 GLU HN 102 GLU HA 5.00 (# 222:20 Unique 4.03, 4.03 A)
&rst
ixpk= 222, nxpk= 20, iat=1589,1564, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 20-2:223 102 GLU HA 4.00 (# 223:20 Single Ambig)
&rst
ixpk= 223, nxpk= 20, iat= -1,1564, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1569,1570,1528,
&end
#
# 102 GLU HB+ 102 GLU HA 3.00 (# 224:20 Unique 2.39, 2.70 A)
&rst
ixpk= 224, nxpk= 20, iat= -1,1564, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1566,1567,
&end
#
# 48 ALA HN 48 ALA HA 3.00 (# 225:20 Unique 2.76, 2.76 A)
&rst
ixpk= 225, nxpk= 20, iat= 743, 745, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:226 48 ALA HA 4.00 (# 226:20 Single Ambig)
&rst
ixpk= 226, nxpk= 20, iat= -1, 745, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 753, 813,
&end
#
# 0 AMB 20-2:227 48 ALA HA 4.00 (# 227:20 Single Ambig)
&rst
ixpk= 227, nxpk= 20, iat= -1, 745, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 792, 770,
&end
#
# 0 AMB 20-2:228 48 ALA HA 4.00 (# 228:20 Single Ambig)
&rst
ixpk= 228, nxpk= 20, iat= -1, 745, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 800, 809, 835, 844,
&end
#
# 47 VAL HN 48 ALA HA 6.00 (# 229:20 Unique 5.29, 5.29 A)
&rst
ixpk= 229, nxpk= 20, iat= 727, 745, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 53 TYR HB- 48 ALA HA 3.00 (# 231:20 Unique 3.65, 4.21 A)
&rst
ixpk= 231, nxpk= 20, iat= -1, 745, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 831, 832,
&end
#
# 0 AMB 20-2:232 48 ALA HA 3.00 (# 232:20 Single Ambig)
&rst
ixpk= 232, nxpk= 20, iat= -1, 745, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 747, 748, 749, 733, 734, 735, 737, 738, 739,
&end
#
# 86 LEU MDY 48 ALA HA 4.00 (# 233:20 Unique 2.12, 3.45 A)
&rst
ixpk= 233, nxpk= 20, iat= -1, 745, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1330,1331,1332,1334,1335,1336,
&end
#
# 0 AMB 20-2:234 48 ALA HA 6.00 (# 234:20 Single Ambig)
&rst
ixpk= 234, nxpk= 20, iat= -1, 745, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 696, 794,
&end
#
# 49 MET HA 48 ALA HA 5.00 (# 235:20 Unique 4.82, 4.82 A)
&rst
ixpk= 235, nxpk= 20, iat= 755, 745, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 53 TYR HB+ 48 ALA HA 4.00 (# 236:20 Unique 3.65, 4.21 A)
&rst
ixpk= 236, nxpk= 20, iat= -1, 745, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 831, 832,
&end
#
# 51 TYR HB- 48 ALA HA 5.00 (# 237:20 Unique 3.71, 4.56 A)
&rst
ixpk= 237, nxpk= 20, iat= -1, 745, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 796, 797,
&end
#
# 0 AMB 20-2:238 48 ALA HA 6.00 (# 238:20 Single Ambig)
&rst
ixpk= 238, nxpk= 20, iat= -1, 745, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 757, 758,1269,1270, 852, 853,
&end
#
# 47 VAL HB 48 ALA HA 6.00 (# 239:20 Unique 4.27, 4.27 A)
&rst
ixpk= 239, nxpk= 20, iat= 731, 745, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 86 LEU MDX 48 ALA HA 6.00 (# 240:20 Unique 2.12, 3.45 A)
&rst
ixpk= 240, nxpk= 20, iat= -1, 745, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1330,1331,1332,1334,1335,1336,
&end
#
# 30 ASP HB- 25 ALA HA 5.00 (# 242:20 Unique 2.75, 3.42 A)
&rst
ixpk= 242, nxpk= 20, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 434, 435,
&end
#
# 0 AMB 20-2:243 25 ALA HA 3.00 (# 243:20 Single Ambig)
&rst
ixpk= 243, nxpk= 20, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 364, 430, 390,
&end
#
# 28 ASN HN 25 ALA HA 4.00 (# 244:20 Unique 3.46, 3.46 A)
&rst
ixpk= 244, nxpk= 20, iat= 409, 366, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 28 ASN HB+ 25 ALA HA 4.00 (# 245:20 Unique 2.84, 3.61 A)
&rst
ixpk= 245, nxpk= 20, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 413, 414,
&end
#
# 28 ASN HB- 25 ALA HA 4.00 (# 246:20 Unique 2.84, 3.61 A)
&rst
ixpk= 246, nxpk= 20, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 413, 414,
&end
#
# 25 ALA MB 25 ALA HA 3.00 (# 247:20 Unique 2.47, 2.66 A)
&rst
ixpk= 247, nxpk= 20, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 368, 369, 370,
&end
#
# 96 LEU MDX 25 ALA HA 3.00 (# 248:20 Unique 2.21, 3.43 A)
&rst
ixpk= 248, nxpk= 20, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1482,1483,1484,1486,1487,1488,
&end
#
# 35 ASN HN 34 LEU HA 3.00 (# 250:20 Unique 2.15, 2.15 A)
&rst
ixpk= 250, nxpk= 20, iat= 529, 512, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 34 LEU HB- 34 LEU HA 4.00 (# 251:20 Unique 2.41, 2.74 A)
&rst
ixpk= 251, nxpk= 20, iat= -1, 512, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 514, 515,
&end
#
# 34 LEU HN 0 AMB 20-1:252 4.00 (# 252:20 Single Ambig)
&rst
ixpk= 252, nxpk= 20, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 512, 492,
&end
#
# 81 ALA MB 34 LEU HA 4.00 (# 253:20 Unique 3.21, 3.59 A)
&rst
ixpk= 253, nxpk= 20, iat= -1, 512, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1240,1241,1242,
&end
#
# 85 LEU MDY 33 PHE HA 5.00 (# 254:20 Preassigned 4.62, 5.92 A)
&rst
ixpk= 254, nxpk= 20, iat= -1, 492, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1311,1312,1313,1315,1316,1317,
&end
#
# 34 LEU MDX 34 LEU HA 3.00 (# 255:20 Unique 2.02, 3.41 A)
&rst
ixpk= 255, nxpk= 20, iat= -1, 512, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 519, 520, 521, 523, 524, 525,
&end
#
# 33 PHE HE 34 LEU HA 6.00 (# 259:20 Unique 3.75, 5.06 A)
&rst
ixpk= 259, nxpk= 20, iat= -1, 512, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 500, 504,
&end
#
# 33 PHE HD 0 AMB 20-1:260 4.00 (# 260:20 Single Ambig)
&rst
ixpk= 260, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 498, 506,
igr2= 512, 492,
&end
#
# 33 PHE HB+ 33 PHE HA 3.00 (# 261:20 Unique 2.44, 2.49 A)
&rst
ixpk= 261, nxpk= 20, iat= -1, 492, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 494, 495,
&end
#
# 80 ALA HN 80 ALA HA 3.00 (# 262:20 Unique 2.85, 2.85 A)
&rst
ixpk= 262, nxpk= 20, iat=1226,1228, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 81 ALA HN 80 ALA HA 5.00 (# 263:20 Unique 3.62, 3.62 A)
&rst
ixpk= 263, nxpk= 20, iat=1236,1228, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 20-2:265 0 AMB 20-1:265 4.00 (# 265:20 Double Ambig)
&rst
ixpk= 265, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 413, 414,1278,1279,1190,1191,
igr2=1475,1228,
&end
#
# 83 LYS HB+ 80 ALA HA 3.00 (# 266:20 Unique 2.30, 2.63 A)
&rst
ixpk= 266, nxpk= 20, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1269,1270,
&end
#
# 80 ALA MB 80 ALA HA 3.00 (# 267:20 Unique 2.45, 2.65 A)
&rst
ixpk= 267, nxpk= 20, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1230,1231,1232,
&end
#
# 39 THR MG2 80 ALA HA 3.00 (# 268:20 Unique 2.73, 3.42 A)
&rst
ixpk= 268, nxpk= 20, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 607, 608, 609,
&end
#
# 96 LEU HB- 96 LEU HA 3.00 (# 269:20 Unique 2.54, 2.78 A)
&rst
ixpk= 269, nxpk= 20, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1477,1478,
&end
#
# 96 LEU HN 96 LEU HA 3.00 (# 270:20 Unique 2.33, 2.33 A)
&rst
ixpk= 270, nxpk= 20, iat=1473,1475, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 97 GLY HN 96 LEU HA 4.00 (# 271:20 Unique 2.82, 2.82 A)
&rst
ixpk= 271, nxpk= 20, iat=1492,1475, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 83 LYS HN 80 ALA HA 4.00 (# 272:20 Unique 3.25, 3.25 A)
&rst
ixpk= 272, nxpk= 20, iat=1265,1228, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:273 0 AMB 20-1:273 3.00 (# 273:20 Double Ambig)
&rst
ixpk= 273, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 394,1477,1478,
igr2= 356,1475,
&end
#
# 96 LEU MDY 96 LEU HA 3.00 (# 274:20 Unique 2.14, 3.85 A)
&rst
ixpk= 274, nxpk= 20, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1482,1483,1484,1486,1487,1488,
&end
#
# 85 LEU MDX 33 PHE HA 6.00 (# 275:20 Preassigned 4.62, 5.92 A)
&rst
ixpk= 275, nxpk= 20, iat= -1, 492, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1311,1312,1313,1315,1316,1317,
&end
#
# 24 ALA HN 24 ALA HA 4.00 (# 276:20 Unique 2.82, 2.82 A)
&rst
ixpk= 276, nxpk= 20, iat= 354, 356, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 24 ALA MB 24 ALA HA 3.00 (# 277:20 Unique 2.47, 2.66 A)
&rst
ixpk= 277, nxpk= 20, iat= -1, 356, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 358, 359, 360,
&end
#
# 0 AMB 20-2:278 24 ALA HA 4.00 (# 278:20 Single Ambig)
&rst
ixpk= 278, nxpk= 20, iat= -1, 356, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 400, 401,1053,1054,1055,1057,1058,1059,
&end
#
# 32 TRP HN 31 ARG HA 5.00 (# 279:20 Unique 2.29, 2.29 A)
&rst
ixpk= 279, nxpk= 20, iat= 466, 444, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 33 PHE HZ 31 ARG HA 5.00 (# 280:20 Unique 4.46, 4.46 A)
&rst
ixpk= 280, nxpk= 20, iat= 502, 444, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 33 PHE HD 31 ARG HA 6.00 (# 282:20 Unique 4.66, 5.54 A)
&rst
ixpk= 282, nxpk= 20, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 498, 506,
&end
#
# 30 ASP HA 31 ARG HA 6.00 (# 283:20 Unique 4.72, 4.72 A)
&rst
ixpk= 283, nxpk= 20, iat= 432, 444, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 31 ARG HD+ 31 ARG HA 5.00 (# 285:20 Unique 4.70, 4.80 A)
&rst
ixpk= 285, nxpk= 20, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 452, 453,
&end
#
# 31 ARG HB+ 31 ARG HA 3.00 (# 286:20 Unique 2.49, 2.76 A)
&rst
ixpk= 286, nxpk= 20, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 446, 447,
&end
#
# 31 ARG HB- 31 ARG HA 4.00 (# 287:20 Unique 2.49, 2.76 A)
&rst
ixpk= 287, nxpk= 20, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 446, 447,
&end
#
# 26 VAL MGY 31 ARG HA 4.00 (# 289:20 Unique 2.55, 4.18 A)
&rst
ixpk= 289, nxpk= 20, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 380, 381, 382, 384, 385, 386,
&end
#
# 34 LEU HG 31 ARG HA 5.00 (# 290:20 Preassigned 4.67, 4.67 A)
&rst
ixpk= 290, nxpk= 20, iat= 517, 444, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 34 LEU HN 31 ARG HA 5.00 (# 291:20 Unique 3.82, 3.82 A)
&rst
ixpk= 291, nxpk= 20, iat= 510, 444, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 65 GLY HN 66 PRO HD+ 5.00 (# 292:20 Unique 3.09, 3.10 A)
&rst
ixpk= 292, nxpk= 20, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1031,1032,
&end
#
# 67 LEU HN 66 PRO HD+ 5.00 (# 293:20 Unique 2.85, 3.48 A)
&rst
ixpk= 293, nxpk= 20, iat=1044, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1031,1032,
&end
#
# 66 PRO HB- 66 PRO HD+ 4.00 (# 294:20 Unique 2.95, 3.72 A)
&rst
ixpk= 294, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1037,1038,
igr2=1031,1032,
&end
#
# 0 AMB 20-2:295 0 AMB 20-1:295 5.00 (# 295:20 Double Ambig)
&rst
ixpk= 295, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
igr1=1706,1707,1708,1710,1711,1712,1706,1707,1708,1710,
1711,1712, 991, 992, 993,
igr2=1031,1032,1031,1032,1031,1032,
&end
#
# 0 AMB 20-2:296 0 AMB 20-1:296 4.00 (# 296:20 Double Ambig)
&rst
ixpk= 296, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1025,1026,1006,
igr2=1031,1032,1031,1032,
&end
#
# 66 PRO HB+ 66 PRO HD+ 5.00 (# 297:20 Unique 2.95, 3.72 A)
&rst
ixpk= 297, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1037,1038,
igr2=1031,1032,
&end
#
# 0 AMB 20-2:298 0 AMB 20-1:298 3.00 (# 298:20 Double Ambig)
&rst
ixpk= 298, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 867, 868, 852, 853, 870, 871,
igr2= 864, 865, 864, 865, 864, 865,
&end
#
# 55 PRO HG- 55 PRO HD+ 4.00 (# 299:20 Unique 2.37, 2.64 A)
&rst
ixpk= 299, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 867, 868,
igr2= 864, 865,
&end
#
# 65 GLY HN 66 PRO HD- 4.00 (# 300:20 Unique 3.09, 3.10 A)
&rst
ixpk= 300, nxpk= 20, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1031,1032,
&end
#
# 67 LEU HN 66 PRO HD- 5.00 (# 301:20 Unique 2.85, 3.48 A)
&rst
ixpk= 301, nxpk= 20, iat=1044, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1031,1032,
&end
#
# 0 AMB 20-2:302 66 PRO HD- 4.00 (# 302:20 Single Ambig)
&rst
ixpk= 302, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1025,1026,1006,
igr2=1031,1032,
&end
#
# 66 PRO HB+ 66 PRO HD- 5.00 (# 303:20 Unique 2.95, 3.72 A)
&rst
ixpk= 303, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1037,1038,
igr2=1031,1032,
&end
#
# 66 PRO HG+ 66 PRO HD- 3.00 (# 304:20 Unique 2.39, 2.65 A)
&rst
ixpk= 304, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1034,1035,
igr2=1031,1032,
&end
#
# 66 PRO HG- 66 PRO HD- 3.00 (# 305:20 Unique 2.39, 2.65 A)
&rst
ixpk= 305, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1034,1035,
igr2=1031,1032,
&end
#
# 66 PRO HB- 66 PRO HD- 5.00 (# 306:20 Unique 2.95, 3.72 A)
&rst
ixpk= 306, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1037,1038,
igr2=1031,1032,
&end
#
# 0 AMB 20-2:307 66 PRO HD- 5.00 (# 307:20 Single Ambig)
&rst
ixpk= 307, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1=1706,1707,1708,1710,1711,1712,1706,1707,1708,1710,
1711,1712, 991, 992, 993,
igr2=1031,1032,
&end
#
# 0 AMB 20-2:308 55 PRO HD- 3.00 (# 308:20 Single Ambig)
&rst
ixpk= 308, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 850, 873,
igr2= 864, 865,
&end
#
# 49 MET HG- 55 PRO HD- 5.00 (# 309:20 Unique 3.16, 4.46 A)
&rst
ixpk= 309, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 760, 761,
igr2= 864, 865,
&end
#
# 54 GLU HG+ 55 PRO HD- 5.00 (# 310:20 Unique 3.57, 4.64 A)
&rst
ixpk= 310, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 855, 856,
igr2= 864, 865,
&end
#
# 0 AMB 20-2:311 55 PRO HD- 3.00 (# 311:20 Single Ambig)
&rst
ixpk= 311, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 867, 868, 852, 853, 870, 871,
igr2= 864, 865,
&end
#
# 55 PRO HG- 55 PRO HD- 4.00 (# 312:20 Unique 2.37, 2.64 A)
&rst
ixpk= 312, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 867, 868,
igr2= 864, 865,
&end
#
# 12 THR MG2 55 PRO HD- 6.00 (# 313:20 Unique 4.43, 5.38 A)
&rst
ixpk= 313, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 157, 158, 159,
igr2= 864, 865,
&end
#
# 0 AMB 20-2:314 0 AMB 20-1:314 3.00 (# 314:20 Double Ambig)
&rst
ixpk= 314, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 850, 873,
igr2= 864, 865, 864, 865,
&end
#
# 54 GLU HG+ 55 PRO HD+ 4.00 (# 315:20 Unique 3.57, 4.64 A)
&rst
ixpk= 315, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 855, 856,
igr2= 864, 865,
&end
#
# 0 AMB 20-2:317 0 AMB 20-1:317 4.00 (# 317:20 Double Ambig)
&rst
ixpk= 317, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1626,1628,
igr2=1639,1640,1639,1640,
&end
#
# 107 PRO HB+ 107 PRO HD+ 5.00 (# 318:20 Unique 3.03, 3.76 A)
&rst
ixpk= 318, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1645,1646,
igr2=1639,1640,
&end
#
# 107 PRO HG- 107 PRO HD+ 3.00 (# 319:20 Unique 2.36, 2.64 A)
&rst
ixpk= 319, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1642,1643,
igr2=1639,1640,
&end
#
# 63 ILE QG2 107 PRO HD+ 5.00 (# 321:20 Preassigned 3.35, 4.43 A)
&rst
ixpk= 321, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 991, 992, 993,
igr2=1639,1640,
&end
#
# 108 PHE HN 107 PRO HD+ 6.00 (# 322:20 Unique 2.78, 3.43 A)
&rst
ixpk= 322, nxpk= 20, iat=1652, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1639,1640,
&end
#
# 65 GLY HN 65 GLY HA- 3.00 (# 323:20 Unique 2.30, 2.49 A)
&rst
ixpk= 323, nxpk= 20, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1025,1026,
&end
#
# 66 PRO HD- 65 GLY HA- 3.00 (# 324:20 Unique 2.30, 3.42 A)
&rst
ixpk= 324, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1031,1032,
igr2=1025,1026,
&end
#
# 0 AMB 20-2:325 65 GLY HA- 5.00 (# 325:20 Single Ambig)
&rst
ixpk= 325, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
igr1=1008,1009,1034,1035,1155,
igr2=1025,1026,
&end
#
# 75 VAL MGY 65 GLY HA- 5.00 (# 326:20 Unique 4.39, 6.82 A)
&rst
ixpk= 326, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1157,1158,1159,1161,1162,1163,
igr2=1025,1026,
&end
#
# 64 LEU HN 65 GLY HA- 5.00 (# 327:20 Unique 4.93, 4.96 A)
&rst
ixpk= 327, nxpk= 20, iat=1004, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1025,1026,
&end
#
# 71 THR HN 72 GLY HA- 5.00 (# 328:20 Unique 4.77, 4.98 A)
&rst
ixpk= 328, nxpk= 20, iat=1101, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1117,1118,
&end
#
# 0 AMB 20-2:329 72 GLY HA- 6.00 (# 329:20 Single Ambig)
&rst
ixpk= 329, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1078,1079,1080,1107,1108,1109, 514, 515,
igr2=1117,1118,
&end
#
# 72 GLY HN 72 GLY HA- 3.00 (# 330:20 Unique 2.30, 2.59 A)
&rst
ixpk= 330, nxpk= 20, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1117,1118,
&end
#
# 73 ILE HN 72 GLY HA- 4.00 (# 331:20 Unique 3.03, 3.25 A)
&rst
ixpk= 331, nxpk= 20, iat=1122, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1117,1118,
&end
#
# 73 ILE HA 72 GLY HA- 5.00 (# 332:20 Unique 4.60, 4.64 A)
&rst
ixpk= 332, nxpk= 20, iat=1124, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1117,1118,
&end
#
# 95 ILE HN 97 GLY HA- 6.00 (# 333:20 Unique 4.64, 5.09 A)
&rst
ixpk= 333, nxpk= 20, iat=1454, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1494,1495,
&end
#
# 93 ARG HN 92 GLY HA- 4.00 (# 334:20 Unique 2.86, 3.21 A)
&rst
ixpk= 334, nxpk= 20, iat=1416, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1411,1412,
&end
#
# 0 AMB 20-2:335 0 AMB 20-1:335 3.00 (# 335:20 Double Ambig)
&rst
ixpk= 335, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1409, 430,
igr2=1411,1412, 425, 426,
&end
#
# 0 AMB 20-2:336 0 AMB 20-1:336 5.00 (# 336:20 Double Ambig)
&rst
ixpk= 336, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 432,1442,
igr2= 425, 426,1494,1495,1411,1412,
&end
#
# 93 ARG HB+ 92 GLY HA- 5.00 (# 339:20 Preassigned 4.85, 5.74 A)
&rst
ixpk= 339, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1420,1421,
igr2=1411,1412,
&end
#
# 29 GLY HN 29 GLY HA- 3.00 (# 340:20 Unique 2.55, 2.77 A)
&rst
ixpk= 340, nxpk= 20, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 425, 426,
&end
#
# 28 ASN HN 29 GLY HA- 5.00 (# 341:20 Preassigned 5.00, 5.17 A)
&rst
ixpk= 341, nxpk= 20, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 425, 426,
&end
#
# 97 GLY HN 97 GLY HA- 3.00 (# 344:20 Unique 2.30, 2.60 A)
&rst
ixpk= 344, nxpk= 20, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1494,1495,
&end
#
# 94 THR MG2 97 GLY HA- 5.00 (# 345:20 Unique 3.43, 4.94 A)
&rst
ixpk= 345, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1446,1447,1448,
igr2=1494,1495,
&end
#
# 0 AMB 20-2:346 0 AMB 20-1:346 6.00 (# 346:20 Double Ambig)
&rst
ixpk= 346, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 873, 850,
igr2= 881, 882, 881, 882,
&end
#
# 56 LEU HN 56 LEU HB+ 4.00 (# 348:20 Unique 2.24, 2.48 A)
&rst
ixpk= 348, nxpk= 20, iat= 877, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 881, 882,
&end
#
# 57 THR HN 56 LEU HB+ 5.00 (# 349:20 Unique 3.49, 3.80 A)
&rst
ixpk= 349, nxpk= 20, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 881, 882,
&end
#
# 45 ASN HD2+ 56 LEU HB+ 5.00 (# 350:20 Unique 3.32, 4.53 A)
&rst
ixpk= 350, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 703, 704,
igr2= 881, 882,
&end
#
# 45 ASN HD2- 56 LEU HB+ 5.00 (# 351:20 Unique 3.32, 4.53 A)
&rst
ixpk= 351, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 703, 704,
igr2= 881, 882,
&end
#
# 44 PHE HD 56 LEU HB+ 5.00 (# 352:20 Unique 2.96, 5.08 A)
&rst
ixpk= 352, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 682, 690,
igr2= 881, 882,
&end
#
# 56 LEU HA 56 LEU HB+ 4.00 (# 353:20 Unique 2.62, 2.82 A)
&rst
ixpk= 353, nxpk= 20, iat= 879, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 881, 882,
&end
#
# 60 HIS HB+ 56 LEU HB+ 5.00 (# 354:20 Unique 4.81, 5.08 A)
&rst
ixpk= 354, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 943, 944,
igr2= 881, 882,
&end
#
# 0 AMB 20-2:355 0 AMB 20-1:355 6.00 (# 355:20 Double Ambig)
&rst
ixpk= 355, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.24, r4=12.74,
igr1= 902, 903, 904, 607, 608, 609, 251, 252, 253, 255,
256, 257,
igr2= 881, 882, 881, 882, 881, 882,
&end
#
# 0 AMB 20-2:356 0 AMB 20-1:356 3.00 (# 356:20 Double Ambig)
&rst
ixpk= 356, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 884, 638, 639, 640, 642, 643, 644,
igr2= 881, 882, 881, 882,
&end
#
# 56 LEU MDX 56 LEU HB+ 3.00 (# 357:20 Unique 2.41, 3.30 A)
&rst
ixpk= 357, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 886, 887, 888, 890, 891, 892,
igr2= 881, 882,
&end
#
# 56 LEU HN 56 LEU HB- 4.00 (# 358:20 Unique 2.24, 2.48 A)
&rst
ixpk= 358, nxpk= 20, iat= 877, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 881, 882,
&end
#
# 57 THR HN 56 LEU HB- 5.00 (# 359:20 Unique 3.49, 3.80 A)
&rst
ixpk= 359, nxpk= 20, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 881, 882,
&end
#
# 45 ASN HD2+ 56 LEU HB- 5.00 (# 360:20 Unique 3.32, 4.53 A)
&rst
ixpk= 360, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 703, 704,
igr2= 881, 882,
&end
#
# 44 PHE HD 56 LEU HB- 5.00 (# 361:20 Unique 2.96, 5.08 A)
&rst
ixpk= 361, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 682, 690,
igr2= 881, 882,
&end
#
# 56 LEU HA 56 LEU HB- 4.00 (# 362:20 Unique 2.62, 2.82 A)
&rst
ixpk= 362, nxpk= 20, iat= 879, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 881, 882,
&end
#
# 0 AMB 20-2:363 56 LEU HB- 5.00 (# 363:20 Single Ambig)
&rst
ixpk= 363, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 873, 850,
igr2= 881, 882,
&end
#
# 15 THR MG2 56 LEU HB- 4.00 (# 364:20 Unique 2.82, 4.43 A)
&rst
ixpk= 364, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 204, 205, 206,
igr2= 881, 882,
&end
#
# 0 AMB 20-2:365 56 LEU HB- 5.00 (# 365:20 Single Ambig)
&rst
ixpk= 365, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 902, 903, 904, 607, 608, 609, 251, 252, 253, 255,
256, 257,
igr2= 881, 882,
&end
#
# 0 AMB 20-2:366 56 LEU HB- 4.00 (# 366:20 Single Ambig)
&rst
ixpk= 366, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
igr1= 963, 964, 965, 967, 968, 969, 963, 964, 965, 967,
968, 969, 747, 748, 749,1013,1014,1015,1017,1018,
1019,
igr2= 881, 882,
&end
#
# 56 LEU HG 56 LEU HB- 3.00 (# 367:20 Unique 2.59, 2.81 A)
&rst
ixpk= 367, nxpk= 20, iat= 884, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 881, 882,
&end
#
# 56 LEU MDX 56 LEU HB- 3.00 (# 368:20 Unique 2.41, 3.30 A)
&rst
ixpk= 368, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 886, 887, 888, 890, 891, 892,
igr2= 881, 882,
&end
#
# 10 THR HN 9 GLY HA+ 5.00 (# 369:20 Unique 2.44, 2.55 A)
&rst
ixpk= 369, nxpk= 20, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 120, 121,
&end
#
# 0 AMB 20-2:370 0 AMB 20-1:370 6.00 (# 370:20 Double Ambig)
&rst
ixpk= 370, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
igr1= 189, 190, 131, 132, 133,
igr2= 120, 121, 120, 121,
&end
#
# 0 AMB 20-2:371 0 AMB 20-1:371 4.00 (# 371:20 Double Ambig)
&rst
ixpk= 371, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1779, 118,
igr2=1781,1782, 120, 121,
&end
#
# 119 PHE HD 116 GLY HA+ 6.00 (# 372:20 Preassigned 7.68, 9.11 A)
&rst
ixpk= 372, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1824,1832,
igr2=1781,1782,
&end
#
# 117 VAL MGY 116 GLY HA+ 6.00 (# 373:20 Preassigned 4.95, 6.57 A)
&rst
ixpk= 373, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1792,1793,1794,1796,1797,1798,
igr2=1781,1782,
&end
#
# 2 ARG HA 2 ARG HD+ 5.00 (# 374:20 Unique 4.79, 4.82 A)
&rst
ixpk= 374, nxpk= 20, iat= 18, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 26, 27,
&end
#
# 31 ARG HA 31 ARG HD- 5.00 (# 375:20 Unique 4.70, 4.80 A)
&rst
ixpk= 375, nxpk= 20, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 452, 453,
&end
#
# 0 AMB 20-2:378 31 ARG HD- 5.00 (# 378:20 Single Ambig)
&rst
ixpk= 378, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 376, 470, 471,
igr2= 452, 453,
&end
#
# 112 ARG HG+ 112 ARG HD+ 3.00 (# 379:20 Unique 2.34, 2.66 A)
&rst
ixpk= 379, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1723,1724,
igr2=1726,1727,
&end
#
# 0 AMB 20-2:380 31 ARG HD- 3.00 (# 380:20 Single Ambig)
&rst
ixpk= 380, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 449, 450, 514, 515,
igr2= 452, 453,
&end
#
# 26 VAL MGX 31 ARG HD- 4.00 (# 381:20 Unique 4.15, 5.59 A)
&rst
ixpk= 381, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 380, 381, 382, 384, 385, 386,
igr2= 452, 453,
&end
#
# 34 LEU HG 31 ARG HD- 4.00 (# 382:20 Unique 3.67, 4.37 A)
&rst
ixpk= 382, nxpk= 20, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 452, 453,
&end
#
# 112 ARG HN 112 ARG HD+ 6.00 (# 383:20 Preassigned 4.82, 4.98 A)
&rst
ixpk= 383, nxpk= 20, iat=1716, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1726,1727,
&end
#
# 112 ARG HA 112 ARG HD+ 5.00 (# 386:20 Preassigned 4.31, 4.44 A)
&rst
ixpk= 386, nxpk= 20, iat=1718, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1726,1727,
&end
#
# 0 AMB 20-2:388 0 AMB 20-1:388 3.00 (# 388:20 Double Ambig)
&rst
ixpk= 388, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1720,1721,1720,1721,
igr2=1726,1727,1726,1727,
&end
#
# 31 ARG HA 31 ARG HD+ 5.00 (# 389:20 Unique 4.70, 4.80 A)
&rst
ixpk= 389, nxpk= 20, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 452, 453,
&end
#
# 18 VAL MGX 103 ASP HB+ 4.00 (# 392:20 Unique 2.26, 4.23 A)
&rst
ixpk= 392, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 251, 252, 253, 255, 256, 257,
igr2=1581,1582,
&end
#
# 103 ASP HN 103 ASP HB+ 5.00 (# 393:20 Unique 2.97, 3.42 A)
&rst
ixpk= 393, nxpk= 20, iat=1577, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1581,1582,
&end
#
# 36 ARG HA 36 ARG HD+ 4.00 (# 396:20 Unique 3.59, 4.05 A)
&rst
ixpk= 396, nxpk= 20, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 553, 554,
&end
#
# 36 ARG HB+ 36 ARG HD+ 3.00 (# 397:20 Unique 2.55, 3.12 A)
&rst
ixpk= 397, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 547, 548,
igr2= 553, 554,
&end
#
# 0 AMB 20-2:398 0 AMB 20-1:398 3.00 (# 398:20 Double Ambig)
&rst
ixpk= 398, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 446, 447, 547, 548,
igr2= 452, 453, 553, 554,
&end
#
# 0 AMB 20-2:399 0 AMB 20-1:399 3.00 (# 399:20 Double Ambig)
&rst
ixpk= 399, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 550, 551, 449, 450, 514, 515,
igr2= 553, 554, 452, 453, 452, 453,
&end
#
# 103 ASP HA 103 ASP HB+ 3.00 (# 401:20 Unique 2.17, 2.43 A)
&rst
ixpk= 401, nxpk= 20, iat=1579, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1581,1582,
&end
#
# 13 THR MG2 103 ASP HB+ 4.00 (# 402:20 Unique 2.55, 3.26 A)
&rst
ixpk= 402, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 171, 172, 173,
igr2=1581,1582,
&end
#
# 19 LEU HA 19 LEU HB- 4.00 (# 403:20 Unique 2.51, 2.77 A)
&rst
ixpk= 403, nxpk= 20, iat= 263, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 265, 266,
&end
#
# 19 LEU HN 19 LEU HB- 4.00 (# 404:20 Unique 2.42, 3.01 A)
&rst
ixpk= 404, nxpk= 20, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 265, 266,
&end
#
# 20 ALA HN 19 LEU HB- 5.00 (# 405:20 Unique 2.54, 3.03 A)
&rst
ixpk= 405, nxpk= 20, iat= 280, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 265, 266,
&end
#
# 16 LEU HA 19 LEU HB- 5.00 (# 406:20 Unique 2.94, 3.73 A)
&rst
ixpk= 406, nxpk= 20, iat= 214, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 265, 266,
&end
#
# 19 LEU HG 19 LEU HB- 4.00 (# 408:20 Unique 2.58, 2.82 A)
&rst
ixpk= 408, nxpk= 20, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 265, 266,
&end
#
# 20 ALA MB 19 LEU HB- 4.00 (# 409:20 Preassigned 4.43, 5.49 A)
&rst
ixpk= 409, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 284, 285, 286,
igr2= 265, 266,
&end
#
# 64 LEU MDX 19 LEU HB- 3.00 (# 411:20 Unique 2.83, 3.69 A)
&rst
ixpk= 411, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1013,1014,1015,1017,1018,1019,
igr2= 265, 266,
&end
#
# 0 AMB 20-2:412 19 LEU HB- 3.00 (# 412:20 Single Ambig)
&rst
ixpk= 412, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 270, 271, 272, 274, 275, 276, 270, 271, 272, 274,
275, 276,
igr2= 265, 266,
&end
#
# 14 ILE HN 103 ASP HB- 5.00 (# 413:20 Unique 3.22, 3.61 A)
&rst
ixpk= 413, nxpk= 20, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1581,1582,
&end
#
# 103 ASP HN 103 ASP HB- 5.00 (# 414:20 Unique 2.97, 3.42 A)
&rst
ixpk= 414, nxpk= 20, iat=1577, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1581,1582,
&end
#
# 13 THR MG2 103 ASP HB- 4.00 (# 415:20 Unique 2.55, 3.26 A)
&rst
ixpk= 415, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 171, 172, 173,
igr2=1581,1582,
&end
#
# 103 ASP HA 103 ASP HB- 4.00 (# 416:20 Unique 2.17, 2.43 A)
&rst
ixpk= 416, nxpk= 20, iat=1579, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1581,1582,
&end
#
# 14 ILE HN 103 ASP HB+ 5.00 (# 417:20 Unique 3.22, 3.61 A)
&rst
ixpk= 417, nxpk= 20, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1581,1582,
&end
#
# 64 LEU HN 64 LEU HB+ 4.00 (# 418:20 Unique 2.40, 3.02 A)
&rst
ixpk= 418, nxpk= 20, iat=1004, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1008,1009,
&end
#
# 64 LEU HN 64 LEU HB- 4.00 (# 419:20 Unique 2.40, 3.02 A)
&rst
ixpk= 419, nxpk= 20, iat=1004, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1008,1009,
&end
#
# 0 AMB 20-2:420 0 AMB 20-1:420 4.00 (# 420:20 Double Ambig)
&rst
ixpk= 420, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1006,1025,1026,
igr2=1008,1009,1008,1009,
&end
#
# 0 AMB 20-2:421 0 AMB 20-1:421 3.00 (# 421:20 Double Ambig)
&rst
ixpk= 421, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1255,1256,1257,1259,1260,1261, 963, 964, 965, 967,
968, 969, 963, 964, 965, 967, 968, 969, 221, 222,
223, 225, 226, 227,
igr2=1306,1307,1008,1009,1008,1009,1008,1009,
&end
#
# 86 LEU HN 85 LEU HB+ 4.00 (# 422:20 Unique 3.01, 3.39 A)
&rst
ixpk= 422, nxpk= 20, iat=1321, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1306,1307,
&end
#
# 0 AMB 20-2:423 0 AMB 20-1:423 3.00 (# 423:20 Double Ambig)
&rst
ixpk= 423, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1304,1373,1374,
igr2=1306,1307,1306,1307,
&end
#
# 85 LEU HG 85 LEU HB+ 4.00 (# 424:20 Unique 2.45, 2.47 A)
&rst
ixpk= 424, nxpk= 20, iat=1309, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1306,1307,
&end
#
# 85 LEU HN 85 LEU HB+ 3.00 (# 425:20 Unique 2.13, 2.83 A)
&rst
ixpk= 425, nxpk= 20, iat=1302, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1306,1307,
&end
#
# 61 VAL HA 64 LEU HB- 5.00 (# 426:20 Unique 3.15, 3.98 A)
&rst
ixpk= 426, nxpk= 20, iat= 959, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1008,1009,
&end
#
# 68 SER HB+ 64 LEU HB- 5.00 (# 428:20 Unique 4.46, 4.84 A)
&rst
ixpk= 428, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1067,1068,
igr2=1008,1009,
&end
#
# 75 VAL MGY 64 LEU HB- 3.00 (# 430:20 Unique 2.47, 4.05 A)
&rst
ixpk= 430, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1157,1158,1159,1161,1162,1163,
igr2=1008,1009,
&end
#
# 51 TYR HE 50 LYS HE+ 5.00 (# 431:20 Unique 4.57, 6.16 A)
&rst
ixpk= 431, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 802, 807,
igr2= 783, 784,
&end
#
# 50 LYS HA 50 LYS HE+ 5.00 (# 433:20 Unique 4.49, 4.53 A)
&rst
ixpk= 433, nxpk= 20, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 783, 784,
&end
#
# 50 LYS HB+ 50 LYS HE+ 5.00 (# 434:20 Unique 2.21, 3.05 A)
&rst
ixpk= 434, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 774, 775,
igr2= 783, 784,
&end
#
# 0 AMB 20-2:435 0 AMB 20-1:435 3.00 (# 435:20 Double Ambig)
&rst
ixpk= 435, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 780, 781, 780, 781,
igr2= 783, 784, 783, 784,
&end
#
# 50 LYS HG+ 50 LYS HE+ 3.00 (# 436:20 Unique 2.48, 3.27 A)
&rst
ixpk= 436, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 777, 778,
igr2= 783, 784,
&end
#
# 50 LYS HG- 50 LYS HE+ 3.00 (# 437:20 Unique 2.48, 3.27 A)
&rst
ixpk= 437, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 777, 778,
igr2= 783, 784,
&end
#
# 93 ARG HA 93 ARG HD+ 5.00 (# 439:20 Unique 2.18, 2.95 A)
&rst
ixpk= 439, nxpk= 20, iat=1418, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1426,1427,
&end
#
# 93 ARG HG+ 93 ARG HD+ 3.00 (# 440:20 Unique 2.41, 2.60 A)
&rst
ixpk= 440, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1423,1424,
igr2=1426,1427,
&end
#
# 46 LEU HN 46 LEU HB+ 3.00 (# 441:20 Unique 2.30, 2.93 A)
&rst
ixpk= 441, nxpk= 20, iat= 708, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 712, 713,
&end
#
# 47 VAL HN 46 LEU HB+ 4.00 (# 442:20 Unique 2.75, 3.12 A)
&rst
ixpk= 442, nxpk= 20, iat= 727, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 712, 713,
&end
#
# 43 ASP HA 46 LEU HB+ 4.00 (# 443:20 Unique 2.82, 3.62 A)
&rst
ixpk= 443, nxpk= 20, iat= 664, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 712, 713,
&end
#
# 46 LEU HA 46 LEU HB+ 3.00 (# 444:20 Unique 2.58, 2.80 A)
&rst
ixpk= 444, nxpk= 20, iat= 710, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 712, 713,
&end
#
# 46 LEU MDX 46 LEU HB+ 3.00 (# 445:20 Unique 2.43, 3.31 A)
&rst
ixpk= 445, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 717, 718, 719, 721, 722, 723,
igr2= 712, 713,
&end
#
# 94 THR HN 93 ARG HD- 5.00 (# 446:20 Unique 2.73, 3.42 A)
&rst
ixpk= 446, nxpk= 20, iat=1440, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1426,1427,
&end
#
# 93 ARG HN 93 ARG HD- 5.00 (# 447:20 Unique 4.51, 4.92 A)
&rst
ixpk= 447, nxpk= 20, iat=1416, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1426,1427,
&end
#
# 93 ARG HA 93 ARG HD- 5.00 (# 449:20 Unique 2.18, 2.95 A)
&rst
ixpk= 449, nxpk= 20, iat=1418, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1426,1427,
&end
#
# 93 ARG HB+ 93 ARG HD- 3.00 (# 450:20 Unique 3.17, 3.76 A)
&rst
ixpk= 450, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1420,1421,
igr2=1426,1427,
&end
#
# 46 LEU HN 46 LEU HB- 3.00 (# 451:20 Unique 2.30, 2.93 A)
&rst
ixpk= 451, nxpk= 20, iat= 708, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 712, 713,
&end
#
# 47 VAL HN 46 LEU HB- 4.00 (# 452:20 Unique 2.75, 3.12 A)
&rst
ixpk= 452, nxpk= 20, iat= 727, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 712, 713,
&end
#
# 46 LEU HA 46 LEU HB- 3.00 (# 453:20 Unique 2.58, 2.80 A)
&rst
ixpk= 453, nxpk= 20, iat= 710, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 712, 713,
&end
#
# 46 LEU MDX 46 LEU HB- 3.00 (# 454:20 Unique 2.43, 3.31 A)
&rst
ixpk= 454, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 717, 718, 719, 721, 722, 723,
igr2= 712, 713,
&end
#
# 43 ASP HA 46 LEU HB- 5.00 (# 455:20 Unique 2.82, 3.62 A)
&rst
ixpk= 455, nxpk= 20, iat= 664, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 712, 713,
&end
#
# 101 LEU HN 100 ILE HB 3.00 (# 456:20 Unique 2.59, 2.59 A)
&rst
ixpk= 456, nxpk= 20, iat=1543,1528, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 100 ILE HG1- 100 ILE HB 3.00 (# 457:20 Unique 2.46, 2.71 A)
&rst
ixpk= 457, nxpk= 20, iat= -1,1528, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1534,1535,
&end
#
# 0 AMB 20-2:458 0 AMB 20-1:458 5.00 (# 458:20 Double Ambig)
&rst
ixpk= 458, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 682, 690,1287,
igr2=1278,1279,1278,1279,
&end
#
# 87 GLN HE2- 83 LYS HE+ 5.00 (# 459:20 Unique 4.09, 4.93 A)
&rst
ixpk= 459, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1352,1353,
igr2=1278,1279,
&end
#
# 0 AMB 20-2:461 0 AMB 20-1:461 4.00 (# 461:20 Double Ambig)
&rst
ixpk= 461, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 605, 710,
igr2=1278,1279,1278,1279,
&end
#
# 80 ALA HA 83 LYS HE+ 5.00 (# 462:20 Unique 5.43, 5.64 A)
&rst
ixpk= 462, nxpk= 20, iat=1228, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1278,1279,
&end
#
# 0 AMB 20-2:463 0 AMB 20-1:463 5.00 (# 463:20 Double Ambig)
&rst
ixpk= 463, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1267, 729,
igr2=1278,1279,1278,1279,
&end
#
# 83 LYS HB+ 83 LYS HE+ 4.00 (# 464:20 Unique 4.22, 4.49 A)
&rst
ixpk= 464, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1269,1270,
igr2=1278,1279,
&end
#
# 83 LYS HB- 83 LYS HE+ 4.00 (# 465:20 Unique 4.22, 4.49 A)
&rst
ixpk= 465, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1269,1270,
igr2=1278,1279,
&end
#
# 83 LYS HD+ 83 LYS HE+ 3.00 (# 466:20 Unique 2.46, 2.75 A)
&rst
ixpk= 466, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1275,1276,
igr2=1278,1279,
&end
#
# 0 AMB 20-2:467 0 AMB 20-1:467 3.00 (# 467:20 Double Ambig)
&rst
ixpk= 467, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1272,1273,1272,1273,
igr2=1278,1279,1278,1279,
&end
#
# 39 THR MG2 83 LYS HE+ 4.00 (# 469:20 Unique 4.50, 5.64 A)
&rst
ixpk= 469, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 607, 608, 609,
igr2=1278,1279,
&end
#
# 47 VAL MGY 83 LYS HE+ 3.00 (# 470:20 Unique 1.98, 4.37 A)
&rst
ixpk= 470, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 733, 734, 735, 737, 738, 739,
igr2=1278,1279,
&end
#
# 110 VAL MGY 109 ASP HB- 6.00 (# 472:20 Unique 3.30, 6.18 A)
&rst
ixpk= 472, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1690,1691,1692,1694,1695,1696,
igr2=1676,1677,
&end
#
# 96 LEU HN 30 ASP HB+ 5.00 (# 473:20 Unique 3.56, 3.85 A)
&rst
ixpk= 473, nxpk= 20, iat=1473, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 434, 435,
&end
#
# 30 ASP HN 30 ASP HB+ 4.00 (# 474:20 Unique 2.74, 2.84 A)
&rst
ixpk= 474, nxpk= 20, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 434, 435,
&end
#
# 32 TRP HH2 30 ASP HB+ 5.00 (# 475:20 Preassigned 10.50,10.85 A)
&rst
ixpk= 475, nxpk= 20, iat= 481, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 434, 435,
&end
#
# 30 ASP HA 30 ASP HB+ 3.00 (# 476:20 Unique 2.46, 2.76 A)
&rst
ixpk= 476, nxpk= 20, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 434, 435,
&end
#
# 25 ALA MB 30 ASP HB+ 3.00 (# 477:20 Unique 2.33, 4.19 A)
&rst
ixpk= 477, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 368, 369, 370,
igr2= 434, 435,
&end
#
# 96 LEU HN 30 ASP HB- 5.00 (# 478:20 Unique 3.56, 3.85 A)
&rst
ixpk= 478, nxpk= 20, iat=1473, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 434, 435,
&end
#
# 30 ASP HN 30 ASP HB- 3.00 (# 479:20 Unique 2.74, 2.84 A)
&rst
ixpk= 479, nxpk= 20, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 434, 435,
&end
#
# 0 AMB 20-2:480 30 ASP HB- 5.00 (# 480:20 Single Ambig)
&rst
ixpk= 480, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 442, 374,
igr2= 434, 435,
&end
#
# 32 TRP HH2 30 ASP HB- 5.00 (# 481:20 Preassigned 10.50,10.85 A)
&rst
ixpk= 481, nxpk= 20, iat= 481, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 434, 435,
&end
#
# 0 AMB 20-2:482 30 ASP HB- 5.00 (# 482:20 Single Ambig)
&rst
ixpk= 482, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 425, 426,1456,
igr2= 434, 435,
&end
#
# 25 ALA HA 30 ASP HB- 5.00 (# 483:20 Unique 2.75, 3.42 A)
&rst
ixpk= 483, nxpk= 20, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 434, 435,
&end
#
# 0 AMB 20-2:484 30 ASP HB- 5.00 (# 484:20 Single Ambig)
&rst
ixpk= 484, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 376, 316,
igr2= 434, 435,
&end
#
# 0 AMB 20-2:485 30 ASP HB- 3.00 (# 485:20 Single Ambig)
&rst
ixpk= 485, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 368, 369, 370,1480,
igr2= 434, 435,
&end
#
# 0 AMB 20-2:486 30 ASP HB- 4.00 (# 486:20 Single Ambig)
&rst
ixpk= 486, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=1482,1483,1484,1486,1487,1488,1464,1465,
igr2= 434, 435,
&end
#
# 95 ILE QG2 30 ASP HB- 5.00 (# 487:20 Unique 4.25, 5.84 A)
&rst
ixpk= 487, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1460,1461,1462,
igr2= 434, 435,
&end
#
# 100 ILE HA 100 ILE HB 3.00 (# 488:20 Unique 2.67, 2.67 A)
&rst
ixpk= 488, nxpk= 20, iat=1526,1528, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 41 LEU HN 41 LEU HB+ 4.00 (# 489:20 Unique 2.05, 2.70 A)
&rst
ixpk= 489, nxpk= 20, iat= 629, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 633, 634,
&end
#
# 42 ASN HN 41 LEU HB+ 4.00 (# 490:20 Unique 3.09, 3.18 A)
&rst
ixpk= 490, nxpk= 20, iat= 648, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 633, 634,
&end
#
# 0 AMB 20-2:491 0 AMB 20-1:491 4.00 (# 491:20 Double Ambig)
&rst
ixpk= 491, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 703, 704, 662,
igr2= 633, 634, 633, 634,
&end
#
# 41 LEU HA 41 LEU HB+ 3.00 (# 493:20 Unique 2.85, 2.86 A)
&rst
ixpk= 493, nxpk= 20, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 633, 634,
&end
#
# 41 LEU MDX 41 LEU HB+ 3.00 (# 494:20 Unique 2.41, 3.31 A)
&rst
ixpk= 494, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 638, 639, 640, 642, 643, 644,
igr2= 633, 634,
&end
#
# 109 ASP HN 109 ASP HB+ 3.00 (# 496:20 Unique 2.57, 2.60 A)
&rst
ixpk= 496, nxpk= 20, iat=1672, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1676,1677,
&end
#
# 108 PHE HD 109 ASP HB+ 6.00 (# 497:20 Preassigned 5.08, 6.37 A)
&rst
ixpk= 497, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1660,1668,
igr2=1676,1677,
&end
#
# 109 ASP HA 109 ASP HB+ 4.00 (# 499:20 Unique 2.53, 2.78 A)
&rst
ixpk= 499, nxpk= 20, iat=1674, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1676,1677,
&end
#
# 110 VAL MGY 109 ASP HB+ 6.00 (# 502:20 Unique 3.30, 6.18 A)
&rst
ixpk= 502, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1690,1691,1692,1694,1695,1696,
igr2=1676,1677,
&end
#
# 95 ILE HN 30 ASP HB+ 6.00 (# 503:20 Preassigned 7.54, 7.82 A)
&rst
ixpk= 503, nxpk= 20, iat=1454, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 434, 435,
&end
#
# 0 AMB 20-2:504 0 AMB 20-1:504 4.00 (# 504:20 Double Ambig)
&rst
ixpk= 504, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1672, 423,
igr2=1676,1677, 434, 435,
&end
#
# 108 PHE HD 109 ASP HB- 6.00 (# 505:20 Preassigned 5.08, 6.37 A)
&rst
ixpk= 505, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1660,1668,
igr2=1676,1677,
&end
#
# 109 ASP HA 109 ASP HB- 3.00 (# 506:20 Unique 2.53, 2.78 A)
&rst
ixpk= 506, nxpk= 20, iat=1674, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1676,1677,
&end
#
# 25 ALA HA 30 ASP HB+ 4.00 (# 507:20 Unique 2.75, 3.42 A)
&rst
ixpk= 507, nxpk= 20, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 434, 435,
&end
#
# 0 AMB 20-2:508 0 AMB 20-1:508 5.00 (# 508:20 Double Ambig)
&rst
ixpk= 508, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.91, r4= 9.41,
igr1=1482,1483,1484,1486,1487,1488,1464,1465,
igr2= 434, 435, 434, 435,
&end
#
# 95 ILE QG2 30 ASP HB+ 5.00 (# 509:20 Unique 4.25, 5.84 A)
&rst
ixpk= 509, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1460,1461,1462,
igr2= 434, 435,
&end
#
# 29 GLY HN 30 ASP HB- 6.00 (# 510:20 Unique 3.99, 4.00 A)
&rst
ixpk= 510, nxpk= 20, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 434, 435,
&end
#
# 45 ASN HD2- 41 LEU HB+ 4.00 (# 511:20 Unique 3.84, 5.01 A)
&rst
ixpk= 511, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 703, 704,
igr2= 633, 634,
&end
#
# 11 ASP HN 11 ASP HB+ 5.00 (# 512:20 Unique 2.41, 2.49 A)
&rst
ixpk= 512, nxpk= 20, iat= 139, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 143, 144,
&end
#
# 0 AMB 20-2:513 0 AMB 20-1:513 3.00 (# 513:20 Double Ambig)
&rst
ixpk= 513, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 6, 141,
igr2= 8, 9, 143, 144,
&end
#
# 11 ASP HN 11 ASP HB- 4.00 (# 514:20 Unique 2.41, 2.49 A)
&rst
ixpk= 514, nxpk= 20, iat= 139, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 143, 144,
&end
#
# 0 AMB 20-2:515 0 AMB 20-1:515 3.00 (# 515:20 Double Ambig)
&rst
ixpk= 515, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 6, 141,
igr2= 8, 9, 143, 144,
&end
#
# 22 LEU HN 22 LEU HB+ 4.00 (# 517:20 Unique 2.35, 2.97 A)
&rst
ixpk= 517, nxpk= 20, iat= 314, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 318, 319,
&end
#
# 23 TYR HN 22 LEU HB+ 4.00 (# 518:20 Unique 2.66, 3.05 A)
&rst
ixpk= 518, nxpk= 20, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 318, 319,
&end
#
# 0 AMB 20-2:519 0 AMB 20-1:519 4.00 (# 519:20 Double Ambig)
&rst
ixpk= 519, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 263, 335,
igr2= 318, 319, 318, 319,
&end
#
# 22 LEU HA 22 LEU HB+ 4.00 (# 520:20 Unique 2.55, 2.78 A)
&rst
ixpk= 520, nxpk= 20, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 318, 319,
&end
#
# 22 LEU MDY 22 LEU HB+ 3.00 (# 521:20 Unique 2.39, 3.38 A)
&rst
ixpk= 521, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 323, 324, 325, 327, 328, 329,
igr2= 318, 319,
&end
#
# 22 LEU MDX 22 LEU HB+ 4.00 (# 522:20 Unique 2.39, 3.38 A)
&rst
ixpk= 522, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 323, 324, 325, 327, 328, 329,
igr2= 318, 319,
&end
#
# 34 LEU HA 34 LEU HB+ 4.00 (# 523:20 Unique 2.41, 2.74 A)
&rst
ixpk= 523, nxpk= 20, iat= 512, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 514, 515,
&end
#
# 96 LEU MDY 28 ASN HB+ 3.00 (# 524:20 Unique 2.24, 4.50 A)
&rst
ixpk= 524, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1482,1483,1484,1486,1487,1488,
igr2= 413, 414,
&end
#
# 96 LEU MDX 28 ASN HB+ 5.00 (# 525:20 Unique 2.24, 4.50 A)
&rst
ixpk= 525, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1482,1483,1484,1486,1487,1488,
igr2= 413, 414,
&end
#
# 0 AMB 20-2:526 0 AMB 20-1:526 3.00 (# 526:20 Double Ambig)
&rst
ixpk= 526, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 409,1366,1367,
igr2= 413, 414,1361,1362,
&end
#
# 88 ASN HN 88 ASN HB+ 4.00 (# 527:20 Unique 2.74, 3.31 A)
&rst
ixpk= 527, nxpk= 20, iat=1357, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1361,1362,
&end
#
# 88 ASN HD2+ 88 ASN HB+ 4.00 (# 528:20 Unique 2.43, 3.44 A)
&rst
ixpk= 528, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1366,1367,
igr2=1361,1362,
&end
#
# 88 ASN HA 88 ASN HB+ 3.00 (# 529:20 Unique 2.25, 2.51 A)
&rst
ixpk= 529, nxpk= 20, iat=1359, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1361,1362,
&end
#
# 0 AMB 20-2:530 0 AMB 20-1:530 4.00 (# 530:20 Double Ambig)
&rst
ixpk= 530, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1304,1373,1374,
igr2=1361,1362,1361,1362,
&end
#
# 87 GLN HB+ 88 ASN HB+ 4.00 (# 531:20 Unique 3.49, 4.34 A)
&rst
ixpk= 531, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1344,1345,
igr2=1361,1362,
&end
#
# 44 PHE HN 43 ASP HB+ 3.00 (# 532:20 Unique 2.42, 3.14 A)
&rst
ixpk= 532, nxpk= 20, iat= 674, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 666, 667,
&end
#
# 43 ASP HN 43 ASP HB+ 3.00 (# 533:20 Unique 2.41, 2.54 A)
&rst
ixpk= 533, nxpk= 20, iat= 662, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 666, 667,
&end
#
# 0 AMB 20-2:534 0 AMB 20-1:534 5.00 (# 534:20 Double Ambig)
&rst
ixpk= 534, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr1= 538, 539, 577, 581,
igr2= 533, 534, 533, 534,
&end
#
# 37 PHE HD 35 ASN HB+ 6.00 (# 535:20 Unique 3.54, 4.79 A)
&rst
ixpk= 535, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 575, 583,
igr2= 533, 534,
&end
#
# 35 ASN HA 35 ASN HB+ 3.00 (# 537:20 Unique 2.38, 2.43 A)
&rst
ixpk= 537, nxpk= 20, iat= 531, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 533, 534,
&end
#
# 0 AMB 20-2:538 0 AMB 20-1:538 4.00 (# 538:20 Double Ambig)
&rst
ixpk= 538, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
igr1= 621, 622, 623, 514, 515, 449, 450,
igr2= 666, 667, 533, 534, 533, 534,
&end
#
# 46 LEU MDX 43 ASP HB- 4.00 (# 539:20 Unique 4.49, 7.32 A)
&rst
ixpk= 539, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 717, 718, 719, 721, 722, 723,
igr2= 666, 667,
&end
#
# 44 PHE HN 43 ASP HB- 4.00 (# 540:20 Unique 2.42, 3.14 A)
&rst
ixpk= 540, nxpk= 20, iat= 674, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 666, 667,
&end
#
# 43 ASP HN 43 ASP HB- 3.00 (# 541:20 Preassigned 2.41, 2.54 A)
&rst
ixpk= 541, nxpk= 20, iat= 662, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 666, 667,
&end
#
# 39 THR HA 43 ASP HB- 5.00 (# 542:20 Unique 4.69, 5.19 A)
&rst
ixpk= 542, nxpk= 20, iat= 603, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 666, 667,
&end
#
# 43 ASP HA 43 ASP HB- 3.00 (# 543:20 Unique 2.43, 2.73 A)
&rst
ixpk= 543, nxpk= 20, iat= 664, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 666, 667,
&end
#
# 83 LYS HN 82 LEU HB+ 5.00 (# 544:20 Unique 2.64, 3.22 A)
&rst
ixpk= 544, nxpk= 20, iat=1265, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1250,1251,
&end
#
# 82 LEU HN 82 LEU HB+ 4.00 (# 545:20 Unique 2.18, 2.39 A)
&rst
ixpk= 545, nxpk= 20, iat=1246, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1250,1251,
&end
#
# 44 PHE HE 82 LEU HB+ 5.00 (# 546:20 Unique 2.22, 4.53 A)
&rst
ixpk= 546, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 684, 688,
igr2=1250,1251,
&end
#
# 0 AMB 20-2:547 0 AMB 20-1:547 4.00 (# 547:20 Double Ambig)
&rst
ixpk= 547, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1248, 263,
igr2=1250,1251,1250,1251,
&end
#
# 79 CYS HA 82 LEU HB+ 4.00 (# 548:20 Unique 2.88, 3.31 A)
&rst
ixpk= 548, nxpk= 20, iat=1217, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1250,1251,
&end
#
# 82 LEU MDY 82 LEU HB+ 4.00 (# 549:20 Unique 2.55, 3.59 A)
&rst
ixpk= 549, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1255,1256,1257,1259,1260,1261,
igr2=1250,1251,
&end
#
# 82 LEU HG 82 LEU HB+ 3.00 (# 550:20 Unique 2.44, 2.44 A)
&rst
ixpk= 550, nxpk= 20, iat=1253, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1250,1251,
&end
#
# 19 LEU MDY 82 LEU HB+ 4.00 (# 551:20 Unique 2.47, 4.60 A)
&rst
ixpk= 551, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 270, 271, 272, 274, 275, 276,
igr2=1250,1251,
&end
#
# 95 ILE QD1 95 ILE HB 3.00 (# 552:20 Unique 2.58, 3.15 A)
&rst
ixpk= 552, nxpk= 20, iat= -1,1458, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1467,1468,1469,
&end
#
# 95 ILE HN 95 ILE HB 4.00 (# 553:20 Unique 2.69, 2.69 A)
&rst
ixpk= 553, nxpk= 20, iat=1454,1458, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:554 95 ILE HB 5.00 (# 554:20 Single Ambig)
&rst
ixpk= 554, nxpk= 20, iat= -1,1458, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 307, 502,
&end
#
# 32 TRP HH2 95 ILE HB 6.00 (# 555:20 Preassigned 7.34, 7.34 A)
&rst
ixpk= 555, nxpk= 20, iat= 481,1458, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 95 ILE HA 95 ILE HB 5.00 (# 556:20 Unique 3.06, 3.06 A)
&rst
ixpk= 556, nxpk= 20, iat=1456,1458, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 90 MET ME 95 ILE HB 4.00 (# 557:20 Unique 2.40, 3.40 A)
&rst
ixpk= 557, nxpk= 20, iat= -1,1458, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1389,1390,1391,
&end
#
# 95 ILE QG2 95 ILE HB 3.00 (# 558:20 Unique 2.49, 2.68 A)
&rst
ixpk= 558, nxpk= 20, iat= -1,1458, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1460,1461,1462,
&end
#
# 21 TRP HZ2 96 LEU HB- 4.00 (# 559:20 Preassigned 3.58, 4.41 A)
&rst
ixpk= 559, nxpk= 20, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1477,1478,
&end
#
# 21 TRP HE1 96 LEU HB- 5.00 (# 560:20 Unique 2.55, 3.12 A)
&rst
ixpk= 560, nxpk= 20, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1477,1478,
&end
#
# 0 AMB 20-2:561 0 AMB 20-1:561 5.00 (# 561:20 Double Ambig)
&rst
ixpk= 561, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 430, 390, 364,
igr2= 413, 414, 413, 414, 413, 414,
&end
#
# 28 ASN HD2- 28 ASN HB+ 4.00 (# 562:20 Unique 2.34, 3.40 A)
&rst
ixpk= 562, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 418, 419,
igr2= 413, 414,
&end
#
# 28 ASN HA 28 ASN HB+ 3.00 (# 563:20 Unique 2.67, 2.84 A)
&rst
ixpk= 563, nxpk= 20, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 413, 414,
&end
#
# 62 ASP HA 62 ASP HB- 3.00 (# 564:20 Unique 2.43, 2.74 A)
&rst
ixpk= 564, nxpk= 20, iat= 975, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 977, 978,
&end
#
# 63 ILE HG1- 62 ASP HB- 5.00 (# 565:20 Unique 3.33, 4.94 A)
&rst
ixpk= 565, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 995, 996,
igr2= 977, 978,
&end
#
# 40 THR MG2 43 ASP HB+ 5.00 (# 566:20 Unique 5.52, 5.78 A)
&rst
ixpk= 566, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 621, 622, 623,
igr2= 666, 667,
&end
#
# 28 ASN HN 28 ASN HB- 3.00 (# 567:20 Unique 2.22, 2.87 A)
&rst
ixpk= 567, nxpk= 20, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 413, 414,
&end
#
# 28 ASN HD2- 28 ASN HB- 4.00 (# 568:20 Unique 2.34, 3.40 A)
&rst
ixpk= 568, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 418, 419,
igr2= 413, 414,
&end
#
# 28 ASN HD2+ 28 ASN HB- 4.00 (# 569:20 Unique 2.34, 3.40 A)
&rst
ixpk= 569, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 418, 419,
igr2= 413, 414,
&end
#
# 25 ALA HA 28 ASN HB- 4.00 (# 570:20 Unique 2.84, 3.61 A)
&rst
ixpk= 570, nxpk= 20, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 413, 414,
&end
#
# 96 LEU HG 28 ASN HB- 6.00 (# 571:20 Preassigned 4.40, 4.95 A)
&rst
ixpk= 571, nxpk= 20, iat=1480, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 413, 414,
&end
#
# 96 LEU MDY 28 ASN HB- 3.00 (# 572:20 Unique 2.24, 4.50 A)
&rst
ixpk= 572, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1482,1483,1484,1486,1487,1488,
igr2= 413, 414,
&end
#
# 96 LEU MDX 28 ASN HB- 5.00 (# 573:20 Unique 2.24, 4.50 A)
&rst
ixpk= 573, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1482,1483,1484,1486,1487,1488,
igr2= 413, 414,
&end
#
# 21 TRP HE1 96 LEU HB+ 5.00 (# 574:20 Unique 2.55, 3.12 A)
&rst
ixpk= 574, nxpk= 20, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1477,1478,
&end
#
# 96 LEU HN 96 LEU HB+ 6.00 (# 575:20 Unique 3.41, 3.74 A)
&rst
ixpk= 575, nxpk= 20, iat=1473, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1477,1478,
&end
#
# 96 LEU HA 96 LEU HB+ 3.00 (# 576:20 Unique 2.54, 2.78 A)
&rst
ixpk= 576, nxpk= 20, iat=1475, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1477,1478,
&end
#
# 96 LEU MDY 96 LEU HB+ 3.00 (# 577:20 Unique 2.44, 3.31 A)
&rst
ixpk= 577, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1482,1483,1484,1486,1487,1488,
igr2=1477,1478,
&end
#
# 96 LEU MDX 96 LEU HB+ 4.00 (# 578:20 Unique 2.44, 3.31 A)
&rst
ixpk= 578, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1482,1483,1484,1486,1487,1488,
igr2=1477,1478,
&end
#
# 21 TRP HZ2 96 LEU HB+ 5.00 (# 579:20 Unique 3.58, 4.41 A)
&rst
ixpk= 579, nxpk= 20, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1477,1478,
&end
#
# 96 LEU HN 0 AMB 20-1:580 5.00 (# 580:20 Single Ambig)
&rst
ixpk= 580, nxpk= 20, iat=1473, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1477,1478,1458,
&end
#
# 96 LEU MDX 96 LEU HB- 4.00 (# 581:20 Unique 2.44, 3.31 A)
&rst
ixpk= 581, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1482,1483,1484,1486,1487,1488,
igr2=1477,1478,
&end
#
# 38 THR HN 37 PHE HB+ 4.00 (# 582:20 Unique 2.89, 3.36 A)
&rst
ixpk= 582, nxpk= 20, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 571, 572,
&end
#
# 37 PHE HN 37 PHE HB+ 4.00 (# 583:20 Unique 2.78, 3.19 A)
&rst
ixpk= 583, nxpk= 20, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 571, 572,
&end
#
# 37 PHE HD 37 PHE HB+ 4.00 (# 584:20 Unique 2.33, 3.08 A)
&rst
ixpk= 584, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 575, 583,
igr2= 571, 572,
&end
#
# 37 PHE HA 37 PHE HB+ 3.00 (# 585:20 Unique 2.39, 2.71 A)
&rst
ixpk= 585, nxpk= 20, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 571, 572,
&end
#
# 80 ALA MB 37 PHE HB+ 4.00 (# 587:20 Unique 2.40, 3.16 A)
&rst
ixpk= 587, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1230,1231,1232,
igr2= 571, 572,
&end
#
# 0 AMB 20-2:588 0 AMB 20-1:588 5.00 (# 588:20 Double Ambig)
&rst
ixpk= 588, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
igr1= 607, 608, 609, 593, 594, 595,1132,1133,
igr2= 571, 572, 571, 572, 571, 572,
&end
#
# 62 ASP HN 62 ASP HB+ 3.00 (# 589:20 Unique 2.53, 2.53 A)
&rst
ixpk= 589, nxpk= 20, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 977, 978,
&end
#
# 63 ILE HN 62 ASP HB+ 4.00 (# 590:20 Unique 2.81, 3.44 A)
&rst
ixpk= 590, nxpk= 20, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 977, 978,
&end
#
# 0 AMB 20-2:591 0 AMB 20-1:591 3.00 (# 591:20 Double Ambig)
&rst
ixpk= 591, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 975, 929,
igr2= 977, 978, 977, 978,
&end
#
# 0 AMB 20-2:592 0 AMB 20-1:592 4.00 (# 592:20 Double Ambig)
&rst
ixpk= 592, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 366, 987,
igr2= 413, 414, 977, 978,
&end
#
# 0 AMB 20-2:593 0 AMB 20-1:593 5.00 (# 593:20 Double Ambig)
&rst
ixpk= 593, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 989, 914, 915,
igr2= 977, 978, 977, 978,
&end
#
# 63 ILE HG1- 62 ASP HB+ 5.00 (# 594:20 Unique 3.33, 4.94 A)
&rst
ixpk= 594, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 995, 996,
igr2= 977, 978,
&end
#
# 38 THR HN 37 PHE HB- 3.00 (# 595:20 Unique 2.89, 3.36 A)
&rst
ixpk= 595, nxpk= 20, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 571, 572,
&end
#
# 37 PHE HN 37 PHE HB- 3.00 (# 596:20 Unique 2.78, 3.19 A)
&rst
ixpk= 596, nxpk= 20, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 571, 572,
&end
#
# 37 PHE HD 37 PHE HB- 3.00 (# 597:20 Unique 2.33, 3.08 A)
&rst
ixpk= 597, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 575, 583,
igr2= 571, 572,
&end
#
# 62 ASP HN 62 ASP HB- 3.00 (# 598:20 Unique 2.53, 2.53 A)
&rst
ixpk= 598, nxpk= 20, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 977, 978,
&end
#
# 0 AMB 20-2:599 62 ASP HB- 4.00 (# 599:20 Single Ambig)
&rst
ixpk= 599, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr1= 963, 964, 965, 967, 968, 969, 963, 964, 965, 967,
968, 969, 991, 992, 993,
igr2= 977, 978,
&end
#
# 63 ILE HN 62 ASP HB- 4.00 (# 600:20 Unique 2.81, 3.44 A)
&rst
ixpk= 600, nxpk= 20, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 977, 978,
&end
#
# 0 AMB 20-2:601 62 ASP HB- 5.00 (# 601:20 Single Ambig)
&rst
ixpk= 601, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 989, 914, 915,
igr2= 977, 978,
&end
#
# 59 ASP HN 59 ASP HB+ 4.00 (# 602:20 Unique 2.47, 2.53 A)
&rst
ixpk= 602, nxpk= 20, iat= 927, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 931, 932,
&end
#
# 60 HIS HN 59 ASP HB+ 4.00 (# 603:20 Unique 2.59, 3.25 A)
&rst
ixpk= 603, nxpk= 20, iat= 939, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 931, 932,
&end
#
# 59 ASP HA 59 ASP HB+ 3.00 (# 604:20 Unique 2.41, 2.73 A)
&rst
ixpk= 604, nxpk= 20, iat= 929, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 931, 932,
&end
#
# 0 AMB 20-2:605 0 AMB 20-1:605 4.00 (# 605:20 Double Ambig)
&rst
ixpk= 605, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1= 998, 999,1000, 963, 964, 965, 967, 968, 969,
igr2= 931, 932, 931, 932,
&end
#
# 59 ASP HN 59 ASP HB- 3.00 (# 606:20 Unique 2.47, 2.53 A)
&rst
ixpk= 606, nxpk= 20, iat= 927, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 931, 932,
&end
#
# 60 HIS HN 59 ASP HB- 4.00 (# 607:20 Unique 2.59, 3.25 A)
&rst
ixpk= 607, nxpk= 20, iat= 939, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 931, 932,
&end
#
# 59 ASP HA 59 ASP HB- 3.00 (# 608:20 Unique 2.41, 2.73 A)
&rst
ixpk= 608, nxpk= 20, iat= 929, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 931, 932,
&end
#
# 0 AMB 20-2:609 59 ASP HB- 5.00 (# 609:20 Single Ambig)
&rst
ixpk= 609, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 998, 999,1000, 963, 964, 965, 967, 968, 969,
igr2= 931, 932,
&end
#
# 101 LEU HN 101 LEU HB+ 4.00 (# 610:20 Unique 2.58, 3.10 A)
&rst
ixpk= 610, nxpk= 20, iat=1543, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1547,1548,
&end
#
# 101 LEU HA 101 LEU HB+ 4.00 (# 611:20 Unique 2.42, 2.71 A)
&rst
ixpk= 611, nxpk= 20, iat=1545, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1547,1548,
&end
#
# 0 AMB 20-2:612 0 AMB 20-1:612 3.00 (# 612:20 Double Ambig)
&rst
ixpk= 612, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 251, 252, 253, 255, 256, 257,1552,1553,1554,1556,
1557,1558,1552,1553,1554,1556,1557,1558,
igr2=1547,1548,1547,1548,1547,1548,
&end
#
# 119 PHE HD 119 PHE HB+ 4.00 (# 613:20 Unique 2.41, 3.05 A)
&rst
ixpk= 613, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1824,1832,
igr2=1820,1821,
&end
#
# 120 GLN HN 119 PHE HB+ 5.00 (# 614:20 Unique 3.96, 4.01 A)
&rst
ixpk= 614, nxpk= 20, iat=1836, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1820,1821,
&end
#
# 119 PHE HA 119 PHE HB+ 4.00 (# 615:20 Unique 2.39, 2.72 A)
&rst
ixpk= 615, nxpk= 20, iat=1818, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1820,1821,
&end
#
# 105 PHE HA 105 PHE HB+ 4.00 (# 616:20 Unique 2.44, 2.74 A)
&rst
ixpk= 616, nxpk= 20, iat=1606, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1608,1609,
&end
#
# 119 PHE HN 119 PHE HB- 5.00 (# 617:20 Unique 2.66, 3.02 A)
&rst
ixpk= 617, nxpk= 20, iat=1816, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1820,1821,
&end
#
# 0 AMB 20-2:618 0 AMB 20-1:618 3.00 (# 618:20 Double Ambig)
&rst
ixpk= 618, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1612,1620,1824,1832,
igr2=1608,1609,1820,1821,
&end
#
# 105 PHE HN 105 PHE HB- 4.00 (# 619:20 Unique 2.69, 3.25 A)
&rst
ixpk= 619, nxpk= 20, iat=1604, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1608,1609,
&end
#
# 21 TRP HB- 105 PHE HB- 6.00 (# 620:20 Unique 2.78, 4.38 A)
&rst
ixpk= 620, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 294, 295,
igr2=1608,1609,
&end
#
# 80 ALA MB 37 PHE HB- 4.00 (# 622:20 Unique 2.40, 3.16 A)
&rst
ixpk= 622, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1230,1231,1232,
igr2= 571, 572,
&end
#
# 78 MET HN 76 LEU HB+ 5.00 (# 623:20 Unique 5.12, 5.46 A)
&rst
ixpk= 623, nxpk= 20, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1171,1172,
&end
#
# 77 ASP HN 76 LEU HB+ 5.00 (# 624:20 Unique 2.62, 3.06 A)
&rst
ixpk= 624, nxpk= 20, iat=1186, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1171,1172,
&end
#
# 76 LEU HN 76 LEU HB+ 3.00 (# 625:20 Unique 2.15, 2.85 A)
&rst
ixpk= 625, nxpk= 20, iat=1167, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1171,1172,
&end
#
# 76 LEU HA 76 LEU HB+ 3.00 (# 626:20 Unique 2.64, 2.79 A)
&rst
ixpk= 626, nxpk= 20, iat=1169, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1171,1172,
&end
#
# 76 LEU MDX 76 LEU HB+ 3.00 (# 627:20 Unique 2.51, 3.58 A)
&rst
ixpk= 627, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1176,1177,1178,1180,1181,1182,
igr2=1171,1172,
&end
#
# 76 LEU MDY 76 LEU HB+ 3.00 (# 628:20 Unique 2.51, 3.58 A)
&rst
ixpk= 628, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1176,1177,1178,1180,1181,1182,
igr2=1171,1172,
&end
#
# 105 PHE HN 105 PHE HB+ 4.00 (# 629:20 Unique 2.69, 3.25 A)
&rst
ixpk= 629, nxpk= 20, iat=1604, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1608,1609,
&end
#
# 105 PHE HA 105 PHE HB- 4.00 (# 631:20 Unique 2.44, 2.74 A)
&rst
ixpk= 631, nxpk= 20, iat=1606, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1608,1609,
&end
#
# 0 AMB 20-2:633 0 AMB 20-1:633 3.00 (# 633:20 Double Ambig)
&rst
ixpk= 633, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1188, 589,
igr2=1190,1191,1190,1191,
&end
#
# 77 ASP HN 77 ASP HB+ 4.00 (# 634:20 Unique 2.37, 2.45 A)
&rst
ixpk= 634, nxpk= 20, iat=1186, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1190,1191,
&end
#
# 74 ALA MB 77 ASP HB+ 5.00 (# 635:20 Unique 3.13, 4.28 A)
&rst
ixpk= 635, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1145,1146,1147,
igr2=1190,1191,
&end
#
# 78 MET HN 77 ASP HB- 4.00 (# 636:20 Unique 2.41, 3.16 A)
&rst
ixpk= 636, nxpk= 20, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1190,1191,
&end
#
# 77 ASP HN 77 ASP HB- 4.00 (# 637:20 Unique 2.37, 2.45 A)
&rst
ixpk= 637, nxpk= 20, iat=1186, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1190,1191,
&end
#
# 0 AMB 20-2:638 77 ASP HB- 3.00 (# 638:20 Single Ambig)
&rst
ixpk= 638, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1188, 589,
igr2=1190,1191,
&end
#
# 74 ALA MB 77 ASP HB- 4.00 (# 639:20 Unique 3.13, 4.28 A)
&rst
ixpk= 639, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1145,1146,1147,
igr2=1190,1191,
&end
#
# 73 ILE QG2 77 ASP HB- 3.00 (# 640:20 Unique 2.33, 3.96 A)
&rst
ixpk= 640, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1128,1129,1130,
igr2=1190,1191,
&end
#
# 67 LEU HB+ 23 TYR HB- 5.00 (# 641:20 Unique 2.41, 3.41 A)
&rst
ixpk= 641, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1048,1049,
igr2= 337, 338,
&end
#
# 52 ASN HN 51 TYR HB+ 6.00 (# 642:20 Unique 3.89, 4.17 A)
&rst
ixpk= 642, nxpk= 20, iat= 813, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 796, 797,
&end
#
# 51 TYR HN 51 TYR HB+ 4.00 (# 643:20 Unique 2.64, 3.20 A)
&rst
ixpk= 643, nxpk= 20, iat= 792, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 796, 797,
&end
#
# 51 TYR HD 51 TYR HB+ 4.00 (# 644:20 Unique 2.44, 3.08 A)
&rst
ixpk= 644, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 800, 809,
igr2= 796, 797,
&end
#
# 53 TYR HE 51 TYR HB+ 5.00 (# 645:20 Unique 2.30, 4.47 A)
&rst
ixpk= 645, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 837, 842,
igr2= 796, 797,
&end
#
# 51 TYR HA 51 TYR HB+ 3.00 (# 646:20 Unique 2.38, 2.70 A)
&rst
ixpk= 646, nxpk= 20, iat= 794, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 796, 797,
&end
#
# 86 LEU MDX 51 TYR HB+ 5.00 (# 647:20 Unique 2.61, 4.50 A)
&rst
ixpk= 647, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1330,1331,1332,1334,1335,1336,
igr2= 796, 797,
&end
#
# 86 LEU MDY 51 TYR HB+ 5.00 (# 648:20 Unique 2.61, 4.50 A)
&rst
ixpk= 648, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1330,1331,1332,1334,1335,1336,
igr2= 796, 797,
&end
#
# 23 TYR HN 23 TYR HB+ 4.00 (# 649:20 Unique 2.37, 2.97 A)
&rst
ixpk= 649, nxpk= 20, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 337, 338,
&end
#
# 23 TYR HD 23 TYR HB+ 4.00 (# 650:20 Unique 2.37, 3.08 A)
&rst
ixpk= 650, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 341, 350,
igr2= 337, 338,
&end
#
# 20 ALA HA 23 TYR HB+ 4.00 (# 651:20 Unique 2.60, 3.44 A)
&rst
ixpk= 651, nxpk= 20, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 337, 338,
&end
#
# 0 AMB 20-2:652 0 AMB 20-1:652 4.00 (# 652:20 Double Ambig)
&rst
ixpk= 652, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.44, r4= 8.94,
igr1=1107,1108,1109, 284, 285, 286, 358, 359, 360, 318,
319,
igr2= 337, 338, 337, 338, 337, 338, 337, 338,
&end
#
# 0 AMB 20-2:653 0 AMB 20-1:653 3.00 (# 653:20 Double Ambig)
&rst
ixpk= 653, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1=1053,1054,1055,1057,1058,1059, 400, 401,
igr2= 337, 338, 337, 338,
&end
#
# 0 AMB 20-2:654 0 AMB 20-1:654 5.00 (# 654:20 Double Ambig)
&rst
ixpk= 654, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
igr1=1053,1054,1055,1057,1058,1059, 403, 404, 405,
igr2= 337, 338, 337, 338,
&end
#
# 44 PHE HN 44 PHE HB+ 4.00 (# 655:20 Unique 2.41, 2.52 A)
&rst
ixpk= 655, nxpk= 20, iat= 674, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 678, 679,
&end
#
# 44 PHE HD 44 PHE HB+ 3.00 (# 656:20 Unique 2.33, 3.06 A)
&rst
ixpk= 656, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 682, 690,
igr2= 678, 679,
&end
#
# 44 PHE HA 44 PHE HB+ 4.00 (# 657:20 Unique 2.45, 2.75 A)
&rst
ixpk= 657, nxpk= 20, iat= 676, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 678, 679,
&end
#
# 39 THR MG2 44 PHE HB+ 4.00 (# 658:20 Unique 2.56, 3.85 A)
&rst
ixpk= 658, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 607, 608, 609,
igr2= 678, 679,
&end
#
# 0 AMB 20-2:659 0 AMB 20-1:659 5.00 (# 659:20 Double Ambig)
&rst
ixpk= 659, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
igr1= 638, 639, 640, 642, 643, 644,1176,1177,1178,1180,
1181,1182,
igr2= 678, 679, 678, 679,
&end
#
# 45 ASN HN 44 PHE HB+ 4.00 (# 660:20 Unique 2.56, 3.26 A)
&rst
ixpk= 660, nxpk= 20, iat= 694, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 678, 679,
&end
#
# 41 LEU HA 44 PHE HB+ 4.00 (# 661:20 Unique 2.43, 2.99 A)
&rst
ixpk= 661, nxpk= 20, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 678, 679,
&end
#
# 79 CYS HB- 44 PHE HB+ 5.00 (# 662:20 Unique 2.27, 3.45 A)
&rst
ixpk= 662, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1219,1220,
igr2= 678, 679,
&end
#
# 0 AMB 20-2:663 0 AMB 20-1:663 5.00 (# 663:20 Double Ambig)
&rst
ixpk= 663, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 636,1275,1276,
igr2= 678, 679, 678, 679,
&end
#
# 83 LYS HG+ 44 PHE HB+ 5.00 (# 664:20 Preassigned 5.85, 6.99 A)
&rst
ixpk= 664, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1272,1273,
igr2= 678, 679,
&end
#
# 45 ASN HN 44 PHE HB- 4.00 (# 665:20 Unique 2.56, 3.26 A)
&rst
ixpk= 665, nxpk= 20, iat= 694, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 678, 679,
&end
#
# 44 PHE HN 44 PHE HB- 4.00 (# 666:20 Unique 2.41, 2.52 A)
&rst
ixpk= 666, nxpk= 20, iat= 674, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 678, 679,
&end
#
# 44 PHE HD 44 PHE HB- 3.00 (# 667:20 Unique 2.33, 3.06 A)
&rst
ixpk= 667, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 682, 690,
igr2= 678, 679,
&end
#
# 41 LEU HA 44 PHE HB- 5.00 (# 668:20 Unique 2.43, 2.99 A)
&rst
ixpk= 668, nxpk= 20, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 678, 679,
&end
#
# 44 PHE HA 44 PHE HB- 4.00 (# 669:20 Unique 2.45, 2.75 A)
&rst
ixpk= 669, nxpk= 20, iat= 676, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 678, 679,
&end
#
# 79 CYS HB- 44 PHE HB- 5.00 (# 670:20 Unique 2.27, 3.45 A)
&rst
ixpk= 670, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1219,1220,
igr2= 678, 679,
&end
#
# 0 AMB 20-2:671 44 PHE HB- 5.00 (# 671:20 Single Ambig)
&rst
ixpk= 671, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
igr1= 636,1275,1276, 633, 634,
igr2= 678, 679,
&end
#
# 39 THR MG2 44 PHE HB- 4.00 (# 672:20 Unique 2.56, 3.85 A)
&rst
ixpk= 672, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 607, 608, 609,
igr2= 678, 679,
&end
#
# 107 PRO HD+ 108 PHE HB- 6.00 (# 673:20 Unique 4.52, 5.34 A)
&rst
ixpk= 673, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1639,1640,
igr2=1656,1657,
&end
#
# 107 PRO HB+ 108 PHE HB- 6.00 (# 674:20 Preassigned 4.23, 5.32 A)
&rst
ixpk= 674, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1645,1646,
igr2=1656,1657,
&end
#
# 0 AMB 20-2:675 23 TYR HB- 4.00 (# 675:20 Single Ambig)
&rst
ixpk= 675, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1=1107,1108,1109, 284, 285, 286, 358, 359, 360, 318,
319,
igr2= 337, 338,
&end
#
# 0 AMB 20-2:676 23 TYR HB- 3.00 (# 676:20 Single Ambig)
&rst
ixpk= 676, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1053,1054,1055,1057,1058,1059, 400, 401,
igr2= 337, 338,
&end
#
# 0 AMB 20-2:677 23 TYR HB- 5.00 (# 677:20 Single Ambig)
&rst
ixpk= 677, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1053,1054,1055,1057,1058,1059, 403, 404, 405,
igr2= 337, 338,
&end
#
# 23 TYR HN 23 TYR HB- 4.00 (# 678:20 Unique 2.37, 2.97 A)
&rst
ixpk= 678, nxpk= 20, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 337, 338,
&end
#
# 23 TYR HD 23 TYR HB- 4.00 (# 679:20 Unique 2.37, 3.08 A)
&rst
ixpk= 679, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 341, 350,
igr2= 337, 338,
&end
#
# 0 AMB 20-2:680 23 TYR HB- 3.00 (# 680:20 Single Ambig)
&rst
ixpk= 680, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 335, 282,
igr2= 337, 338,
&end
#
# 51 TYR HN 51 TYR HB- 4.00 (# 681:20 Unique 2.64, 3.20 A)
&rst
ixpk= 681, nxpk= 20, iat= 792, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 796, 797,
&end
#
# 53 TYR HE 51 TYR HB- 5.00 (# 682:20 Unique 2.30, 4.47 A)
&rst
ixpk= 682, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 837, 842,
igr2= 796, 797,
&end
#
# 51 TYR HA 51 TYR HB- 4.00 (# 683:20 Unique 2.38, 2.70 A)
&rst
ixpk= 683, nxpk= 20, iat= 794, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 796, 797,
&end
#
# 86 LEU MDX 51 TYR HB- 5.00 (# 684:20 Unique 2.61, 4.50 A)
&rst
ixpk= 684, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1330,1331,1332,1334,1335,1336,
igr2= 796, 797,
&end
#
# 51 TYR HD 51 TYR HB- 4.00 (# 685:20 Unique 2.44, 3.08 A)
&rst
ixpk= 685, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 800, 809,
igr2= 796, 797,
&end
#
# 86 LEU MDY 51 TYR HB- 5.00 (# 686:20 Unique 2.61, 4.50 A)
&rst
ixpk= 686, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1330,1331,1332,1334,1335,1336,
igr2= 796, 797,
&end
#
# 107 PRO HB+ 108 PHE HB+ 6.00 (# 687:20 Preassigned 4.23, 5.32 A)
&rst
ixpk= 687, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1645,1646,
igr2=1656,1657,
&end
#
# 109 ASP HN 108 PHE HB+ 6.00 (# 688:20 Unique 2.77, 3.43 A)
&rst
ixpk= 688, nxpk= 20, iat=1672, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1656,1657,
&end
#
# 108 PHE HA 108 PHE HB+ 3.00 (# 689:20 Unique 2.48, 2.75 A)
&rst
ixpk= 689, nxpk= 20, iat=1654, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1656,1657,
&end
#
# 109 ASP HN 108 PHE HB- 6.00 (# 690:20 Unique 2.77, 3.43 A)
&rst
ixpk= 690, nxpk= 20, iat=1672, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1656,1657,
&end
#
# 108 PHE HN 108 PHE HB- 3.00 (# 691:20 Unique 2.43, 2.44 A)
&rst
ixpk= 691, nxpk= 20, iat=1652, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1656,1657,
&end
#
# 108 PHE HA 108 PHE HB- 3.00 (# 692:20 Unique 2.48, 2.75 A)
&rst
ixpk= 692, nxpk= 20, iat=1654, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1656,1657,
&end
#
# 42 ASN HD2+ 42 ASN HB+ 5.00 (# 693:20 Unique 2.58, 3.51 A)
&rst
ixpk= 693, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 657, 658,
igr2= 652, 653,
&end
#
# 41 LEU HA 42 ASN HB+ 6.00 (# 694:20 Unique 5.83, 5.95 A)
&rst
ixpk= 694, nxpk= 20, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 652, 653,
&end
#
# 42 ASN HN 42 ASN HB+ 3.00 (# 695:20 Unique 2.57, 2.61 A)
&rst
ixpk= 695, nxpk= 20, iat= 648, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 652, 653,
&end
#
# 43 ASP HN 42 ASN HB+ 3.00 (# 696:20 Unique 2.78, 3.39 A)
&rst
ixpk= 696, nxpk= 20, iat= 662, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 652, 653,
&end
#
# 42 ASN HA 42 ASN HB+ 3.00 (# 697:20 Unique 2.55, 2.79 A)
&rst
ixpk= 697, nxpk= 20, iat= 650, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 652, 653,
&end
#
# 0 AMB 20-2:698 0 AMB 20-1:698 4.00 (# 698:20 Double Ambig)
&rst
ixpk= 698, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 633, 634, 636,
igr2= 652, 653, 652, 653,
&end
#
# 40 THR MG2 42 ASN HB+ 5.00 (# 699:20 Unique 4.65, 5.40 A)
&rst
ixpk= 699, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 621, 622, 623,
igr2= 652, 653,
&end
#
# 68 SER HA 73 ILE HB 5.00 (# 700:20 Unique 3.78, 3.78 A)
&rst
ixpk= 700, nxpk= 20, iat=1065,1126, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 73 ILE HA 73 ILE HB 5.00 (# 701:20 Unique 3.02, 3.02 A)
&rst
ixpk= 701, nxpk= 20, iat=1124,1126, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 73 ILE HG1- 73 ILE HB 4.00 (# 702:20 Unique 2.69, 2.85 A)
&rst
ixpk= 702, nxpk= 20, iat= -1,1126, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1132,1133,
&end
#
# 0 AMB 20-2:703 73 ILE HB 3.00 (# 703:20 Single Ambig)
&rst
ixpk= 703, nxpk= 20, iat= -1,1126, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1135,1136,1137,1128,1129,1130,
&end
#
# 73 ILE HN 73 ILE HB 4.00 (# 704:20 Unique 2.42, 2.42 A)
&rst
ixpk= 704, nxpk= 20, iat=1122,1126, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 23 TYR HH 73 ILE HB 5.00 (# 705:20 Preassigned 5.26, 5.26 A)
&rst
ixpk= 705, nxpk= 20, iat= 346,1126, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 23 TYR HD 73 ILE HB 6.00 (# 706:20 Unique 3.69, 5.33 A)
&rst
ixpk= 706, nxpk= 20, iat= -1,1126, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 341, 350,
&end
#
# 23 TYR HE 73 ILE HB 4.00 (# 707:20 Unique 2.20, 4.26 A)
&rst
ixpk= 707, nxpk= 20, iat= -1,1126, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 343, 348,
&end
#
# 73 ILE HG1+ 73 ILE HB 4.00 (# 708:20 Unique 2.69, 2.85 A)
&rst
ixpk= 708, nxpk= 20, iat= -1,1126, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1132,1133,
&end
#
# 108 PHE HN 108 PHE HB+ 3.00 (# 709:20 Unique 2.43, 2.44 A)
&rst
ixpk= 709, nxpk= 20, iat=1652, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1656,1657,
&end
#
# 0 AMB 20-2:710 0 AMB 20-1:710 5.00 (# 710:20 Double Ambig)
&rst
ixpk= 710, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1= 715, 870, 871, 881, 882,
igr2= 652, 653, 652, 653, 652, 653,
&end
#
# 53 TYR HA 53 TYR HB+ 4.00 (# 711:20 Unique 2.56, 2.78 A)
&rst
ixpk= 711, nxpk= 20, iat= 829, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 831, 832,
&end
#
# 15 THR MG2 53 TYR HB+ 5.00 (# 712:20 Unique 3.21, 4.52 A)
&rst
ixpk= 712, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 204, 205, 206,
igr2= 831, 832,
&end
#
# 91 ASN HN 91 ASN HB+ 6.00 (# 713:20 Unique 2.97, 3.31 A)
&rst
ixpk= 713, nxpk= 20, iat=1395, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1399,1400,
&end
#
# 91 ASN HD2+ 91 ASN HB+ 6.00 (# 714:20 Unique 2.58, 3.51 A)
&rst
ixpk= 714, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1404,1405,
igr2=1399,1400,
&end
#
# 91 ASN HA 91 ASN HB+ 3.00 (# 715:20 Unique 2.54, 2.79 A)
&rst
ixpk= 715, nxpk= 20, iat=1397, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1399,1400,
&end
#
# 91 ASN HN 91 ASN HB- 5.00 (# 717:20 Unique 2.97, 3.31 A)
&rst
ixpk= 717, nxpk= 20, iat=1395, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1399,1400,
&end
#
# 91 ASN HD2- 91 ASN HB- 4.00 (# 718:20 Unique 2.58, 3.51 A)
&rst
ixpk= 718, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1404,1405,
igr2=1399,1400,
&end
#
# 91 ASN HD2+ 91 ASN HB- 5.00 (# 719:20 Unique 2.58, 3.51 A)
&rst
ixpk= 719, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1404,1405,
igr2=1399,1400,
&end
#
# 91 ASN HA 91 ASN HB- 3.00 (# 721:20 Unique 2.54, 2.79 A)
&rst
ixpk= 721, nxpk= 20, iat=1397, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1399,1400,
&end
#
# 64 LEU HN 63 ILE HB 4.00 (# 722:20 Unique 2.95, 2.95 A)
&rst
ixpk= 722, nxpk= 20, iat=1004, 989, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 27 ILE HN 27 ILE HB 3.00 (# 723:20 Unique 2.13, 2.13 A)
&rst
ixpk= 723, nxpk= 20, iat= 390, 394, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 28 ASN HN 27 ILE HB 4.00 (# 724:20 Unique 2.72, 2.72 A)
&rst
ixpk= 724, nxpk= 20, iat= 409, 394, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 24 ALA HA 27 ILE HB 3.00 (# 725:20 Unique 2.37, 2.37 A)
&rst
ixpk= 725, nxpk= 20, iat= 356, 394, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 27 ILE HA 27 ILE HB 4.00 (# 726:20 Unique 3.02, 3.02 A)
&rst
ixpk= 726, nxpk= 20, iat= 392, 394, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 27 ILE HG1- 27 ILE HB 4.00 (# 727:20 Unique 2.49, 2.74 A)
&rst
ixpk= 727, nxpk= 20, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 400, 401,
&end
#
# 0 AMB 20-2:728 27 ILE HB 4.00 (# 728:20 Single Ambig)
&rst
ixpk= 728, nxpk= 20, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 358, 359, 360,1107,1108,1109,
&end
#
# 0 AMB 20-2:729 27 ILE HB 3.00 (# 729:20 Single Ambig)
&rst
ixpk= 729, nxpk= 20, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 396, 397, 398, 400, 401,
&end
#
# 27 ILE QD1 27 ILE HB 4.00 (# 730:20 Unique 2.48, 3.05 A)
&rst
ixpk= 730, nxpk= 20, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 403, 404, 405,
&end
#
# 0 AMB 20-2:731 0 AMB 20-1:731 6.00 (# 731:20 Double Ambig)
&rst
ixpk= 731, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 837, 842, 802, 807,
igr2= 831, 832, 831, 832,
&end
#
# 0 AMB 20-2:732 0 AMB 20-1:732 4.00 (# 732:20 Double Ambig)
&rst
ixpk= 732, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 745, 796, 797,
igr2= 831, 832, 831, 832,
&end
#
# 48 ALA MB 53 TYR HB+ 4.00 (# 733:20 Unique 2.48, 3.55 A)
&rst
ixpk= 733, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 747, 748, 749,
igr2= 831, 832,
&end
#
# 53 TYR HN 53 TYR HB+ 4.00 (# 734:20 Unique 2.47, 3.07 A)
&rst
ixpk= 734, nxpk= 20, iat= 827, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 831, 832,
&end
#
# 54 GLU HN 53 TYR HB+ 5.00 (# 735:20 Unique 2.81, 3.43 A)
&rst
ixpk= 735, nxpk= 20, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 831, 832,
&end
#
# 53 TYR HN 53 TYR HB- 4.00 (# 736:20 Unique 2.47, 3.07 A)
&rst
ixpk= 736, nxpk= 20, iat= 827, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 831, 832,
&end
#
# 0 AMB 20-2:737 53 TYR HB- 5.00 (# 737:20 Single Ambig)
&rst
ixpk= 737, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 753, 813,
igr2= 831, 832,
&end
#
# 53 TYR HD 53 TYR HB- 3.00 (# 738:20 Unique 2.34, 3.07 A)
&rst
ixpk= 738, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 835, 844,
igr2= 831, 832,
&end
#
# 0 AMB 20-2:739 53 TYR HB- 4.00 (# 739:20 Single Ambig)
&rst
ixpk= 739, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 745, 796, 797,
igr2= 831, 832,
&end
#
# 48 ALA MB 53 TYR HB- 3.00 (# 740:20 Unique 2.48, 3.55 A)
&rst
ixpk= 740, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 747, 748, 749,
igr2= 831, 832,
&end
#
# 54 GLU HN 53 TYR HB- 5.00 (# 741:20 Unique 2.81, 3.43 A)
&rst
ixpk= 741, nxpk= 20, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 831, 832,
&end
#
# 63 ILE HN 63 ILE HB 3.00 (# 742:20 Unique 2.54, 2.54 A)
&rst
ixpk= 742, nxpk= 20, iat= 985, 989, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 60 HIS HA 63 ILE HB 4.00 (# 743:20 Unique 3.05, 3.05 A)
&rst
ixpk= 743, nxpk= 20, iat= 941, 989, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 63 ILE HA 63 ILE HB 4.00 (# 744:20 Preassigned 3.06, 3.06 A)
&rst
ixpk= 744, nxpk= 20, iat= 987, 989, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 63 ILE HG1+ 63 ILE HB 4.00 (# 745:20 Unique 2.61, 2.82 A)
&rst
ixpk= 745, nxpk= 20, iat= -1, 989, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 995, 996,
&end
#
# 0 AMB 20-2:746 63 ILE HB 4.00 (# 746:20 Single Ambig)
&rst
ixpk= 746, nxpk= 20, iat= -1, 989, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 221, 222, 223, 225, 226, 227, 998, 999,1000, 991,
992, 993,
&end
#
# 45 ASN HN 45 ASN HB+ 3.00 (# 747:20 Unique 2.30, 2.95 A)
&rst
ixpk= 747, nxpk= 20, iat= 694, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 698, 699,
&end
#
# 45 ASN HD2+ 45 ASN HB+ 4.00 (# 748:20 Unique 2.59, 3.15 A)
&rst
ixpk= 748, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 703, 704,
igr2= 698, 699,
&end
#
# 45 ASN HD2- 45 ASN HB+ 3.00 (# 749:20 Unique 2.59, 3.15 A)
&rst
ixpk= 749, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 703, 704,
igr2= 698, 699,
&end
#
# 0 AMB 20-2:750 0 AMB 20-1:750 3.00 (# 750:20 Double Ambig)
&rst
ixpk= 750, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 650, 696,
igr2= 698, 699, 698, 699,
&end
#
# 0 AMB 20-2:751 0 AMB 20-1:751 5.00 (# 751:20 Double Ambig)
&rst
ixpk= 751, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1= 870, 871, 715, 712, 713,
igr2= 698, 699, 698, 699, 698, 699,
&end
#
# 0 AMB 20-2:752 0 AMB 20-1:752 4.00 (# 752:20 Double Ambig)
&rst
ixpk= 752, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 764, 765, 766, 870, 871,
igr2= 698, 699, 698, 699,
&end
#
# 0 AMB 20-2:753 0 AMB 20-1:753 5.00 (# 753:20 Double Ambig)
&rst
ixpk= 753, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1= 633, 634, 636,1275,1276,
igr2= 698, 699, 698, 699, 698, 699,
&end
#
# 0 AMB 20-2:754 0 AMB 20-1:754 5.00 (# 754:20 Double Ambig)
&rst
ixpk= 754, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
igr1= 747, 748, 749, 733, 734, 735, 737, 738, 739,
igr2= 698, 699, 698, 699,
&end
#
# 0 AMB 20-2:755 45 ASN HB- 4.00 (# 755:20 Single Ambig)
&rst
ixpk= 755, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 747, 748, 749, 733, 734, 735, 737, 738, 739,
igr2= 698, 699,
&end
#
# 45 ASN HN 45 ASN HB- 4.00 (# 756:20 Unique 2.30, 2.95 A)
&rst
ixpk= 756, nxpk= 20, iat= 694, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 698, 699,
&end
#
# 45 ASN HD2+ 45 ASN HB- 4.00 (# 757:20 Unique 2.59, 3.15 A)
&rst
ixpk= 757, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 703, 704,
igr2= 698, 699,
&end
#
# 45 ASN HD2- 45 ASN HB- 3.00 (# 758:20 Unique 2.59, 3.15 A)
&rst
ixpk= 758, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 703, 704,
igr2= 698, 699,
&end
#
# 0 AMB 20-2:759 45 ASN HB- 4.00 (# 759:20 Single Ambig)
&rst
ixpk= 759, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 764, 765, 766, 870, 871,
igr2= 698, 699,
&end
#
# 0 AMB 20-2:760 45 ASN HB- 5.00 (# 760:20 Single Ambig)
&rst
ixpk= 760, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
igr1= 870, 871, 715, 712, 713,
igr2= 698, 699,
&end
#
# 17 ASN HD2- 17 ASN HB+ 5.00 (# 761:20 Unique 2.49, 3.13 A)
&rst
ixpk= 761, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 240, 241,
igr2= 235, 236,
&end
#
# 0 AMB 20-2:762 0 AMB 20-1:762 5.00 (# 762:20 Double Ambig)
&rst
ixpk= 762, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
igr1= 251, 252, 253, 255, 256, 257, 216, 217, 189, 190,
igr2= 235, 236, 235, 236, 235, 236,
&end
#
# 0 AMB 20-2:763 0 AMB 20-1:763 5.00 (# 763:20 Double Ambig)
&rst
ixpk= 763, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
igr1= 185, 186, 187, 251, 252, 253, 255, 256, 257,
igr2= 235, 236, 235, 236,
&end
#
# 18 VAL HN 17 ASN HB+ 5.00 (# 764:20 Unique 2.85, 3.26 A)
&rst
ixpk= 764, nxpk= 20, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 235, 236,
&end
#
# 17 ASN HN 17 ASN HB+ 4.00 (# 765:20 Unique 2.36, 2.98 A)
&rst
ixpk= 765, nxpk= 20, iat= 231, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 235, 236,
&end
#
# 17 ASN HA 17 ASN HB+ 3.00 (# 766:20 Unique 2.52, 2.78 A)
&rst
ixpk= 766, nxpk= 20, iat= 233, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 235, 236,
&end
#
# 14 ILE HB 17 ASN HB+ 4.00 (# 767:20 Unique 2.44, 3.20 A)
&rst
ixpk= 767, nxpk= 20, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 235, 236,
&end
#
# 20 ALA MB 17 ASN HB+ 5.00 (# 768:20 Preassigned 4.08, 5.52 A)
&rst
ixpk= 768, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 284, 285, 286,
igr2= 235, 236,
&end
#
# 17 ASN HD2+ 17 ASN HB+ 4.00 (# 769:20 Unique 2.49, 3.13 A)
&rst
ixpk= 769, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 240, 241,
igr2= 235, 236,
&end
#
# 18 VAL HN 17 ASN HB- 5.00 (# 770:20 Unique 2.85, 3.26 A)
&rst
ixpk= 770, nxpk= 20, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 235, 236,
&end
#
# 17 ASN HD2+ 17 ASN HB- 4.00 (# 771:20 Unique 2.49, 3.13 A)
&rst
ixpk= 771, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 240, 241,
igr2= 235, 236,
&end
#
# 17 ASN HN 17 ASN HB- 4.00 (# 772:20 Unique 2.36, 2.98 A)
&rst
ixpk= 772, nxpk= 20, iat= 231, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 235, 236,
&end
#
# 17 ASN HD2- 17 ASN HB- 5.00 (# 773:20 Unique 2.49, 3.13 A)
&rst
ixpk= 773, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 240, 241,
igr2= 235, 236,
&end
#
# 17 ASN HA 17 ASN HB- 4.00 (# 774:20 Unique 2.52, 2.78 A)
&rst
ixpk= 774, nxpk= 20, iat= 233, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 235, 236,
&end
#
# 14 ILE HB 17 ASN HB- 4.00 (# 775:20 Unique 2.44, 3.20 A)
&rst
ixpk= 775, nxpk= 20, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 235, 236,
&end
#
# 20 ALA MB 17 ASN HB- 5.00 (# 776:20 Preassigned 4.08, 5.52 A)
&rst
ixpk= 776, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 284, 285, 286,
igr2= 235, 236,
&end
#
# 0 AMB 20-2:777 17 ASN HB- 5.00 (# 777:20 Single Ambig)
&rst
ixpk= 777, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 185, 186, 187, 251, 252, 253, 255, 256, 257,
igr2= 235, 236,
&end
#
# 33 PHE HE 33 PHE HB+ 5.00 (# 778:20 Unique 4.70, 5.10 A)
&rst
ixpk= 778, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 500, 504,
igr2= 494, 495,
&end
#
# 33 PHE HD 33 PHE HB+ 5.00 (# 779:20 Unique 2.39, 3.06 A)
&rst
ixpk= 779, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 498, 506,
igr2= 494, 495,
&end
#
# 33 PHE HA 33 PHE HB+ 3.00 (# 780:20 Unique 2.44, 2.49 A)
&rst
ixpk= 780, nxpk= 20, iat= 492, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 494, 495,
&end
#
# 85 LEU MDX 33 PHE HB+ 5.00 (# 781:20 Unique 2.28, 4.19 A)
&rst
ixpk= 781, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1311,1312,1313,1315,1316,1317,
igr2= 494, 495,
&end
#
# 81 ALA MB 33 PHE HB+ 5.00 (# 782:20 Unique 4.37, 6.19 A)
&rst
ixpk= 782, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1240,1241,1242,
igr2= 494, 495,
&end
#
# 85 LEU MDY 33 PHE HB+ 3.00 (# 783:20 Unique 2.28, 4.19 A)
&rst
ixpk= 783, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1311,1312,1313,1315,1316,1317,
igr2= 494, 495,
&end
#
# 0 AMB 20-2:784 0 AMB 20-1:784 5.00 (# 784:20 Double Ambig)
&rst
ixpk= 784, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 165, 827,
igr2= 817, 818, 817, 818,
&end
#
# 52 ASN HN 52 ASN HB+ 4.00 (# 785:20 Unique 3.25, 3.50 A)
&rst
ixpk= 785, nxpk= 20, iat= 813, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 817, 818,
&end
#
# 52 ASN HD2- 52 ASN HB+ 3.00 (# 786:20 Unique 2.43, 3.14 A)
&rst
ixpk= 786, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 822, 823,
igr2= 817, 818,
&end
#
# 52 ASN HD2+ 52 ASN HB+ 4.00 (# 787:20 Unique 2.43, 3.14 A)
&rst
ixpk= 787, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 822, 823,
igr2= 817, 818,
&end
#
# 52 ASN HA 52 ASN HB+ 3.00 (# 788:20 Unique 2.59, 2.80 A)
&rst
ixpk= 788, nxpk= 20, iat= 815, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 817, 818,
&end
#
# 12 THR MG2 52 ASN HB+ 5.00 (# 789:20 Unique 5.10, 6.00 A)
&rst
ixpk= 789, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 157, 158, 159,
igr2= 817, 818,
&end
#
# 53 TYR HB+ 52 ASN HB+ 6.00 (# 790:20 Unique 6.17, 6.94 A)
&rst
ixpk= 790, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 831, 832,
igr2= 817, 818,
&end
#
# 0 AMB 20-2:791 52 ASN HB- 5.00 (# 791:20 Single Ambig)
&rst
ixpk= 791, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 165, 827,
igr2= 817, 818,
&end
#
# 52 ASN HN 52 ASN HB- 4.00 (# 792:20 Unique 3.25, 3.50 A)
&rst
ixpk= 792, nxpk= 20, iat= 813, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 817, 818,
&end
#
# 52 ASN HD2+ 52 ASN HB- 5.00 (# 793:20 Unique 2.43, 3.14 A)
&rst
ixpk= 793, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 822, 823,
igr2= 817, 818,
&end
#
# 52 ASN HA 52 ASN HB- 3.00 (# 794:20 Unique 2.59, 2.80 A)
&rst
ixpk= 794, nxpk= 20, iat= 815, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 817, 818,
&end
#
# 12 THR MG2 52 ASN HB- 5.00 (# 795:20 Unique 5.10, 6.00 A)
&rst
ixpk= 795, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 157, 158, 159,
igr2= 817, 818,
&end
#
# 85 LEU HG 33 PHE HB+ 4.00 (# 796:20 Unique 4.50, 4.75 A)
&rst
ixpk= 796, nxpk= 20, iat=1309, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 494, 495,
&end
#
# 95 ILE QD1 33 PHE HB+ 5.00 (# 797:20 Unique 3.04, 4.36 A)
&rst
ixpk= 797, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1467,1468,1469,
igr2= 494, 495,
&end
#
# 0 AMB 20-2:799 84 GLU HG- 4.00 (# 799:20 Single Ambig)
&rst
ixpk= 799, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 577, 581, 538, 539,
igr2=1294,1295,
&end
#
# 54 GLU HN 54 GLU HG+ 3.00 (# 800:20 Unique 2.42, 2.92 A)
&rst
ixpk= 800, nxpk= 20, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 855, 856,
&end
#
# 0 AMB 20-2:801 0 AMB 20-1:801 5.00 (# 801:20 Double Ambig)
&rst
ixpk= 801, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 198, 151,
igr2= 855, 856, 855, 856,
&end
#
# 54 GLU HA 54 GLU HG+ 3.00 (# 802:20 Unique 2.47, 2.86 A)
&rst
ixpk= 802, nxpk= 20, iat= 850, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 855, 856,
&end
#
# 12 THR HB 54 GLU HG+ 3.00 (# 803:20 Unique 2.06, 2.37 A)
&rst
ixpk= 803, nxpk= 20, iat= 155, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 855, 856,
&end
#
# 12 THR MG2 54 GLU HG+ 3.00 (# 804:20 Unique 2.66, 3.80 A)
&rst
ixpk= 804, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 157, 158, 159,
igr2= 855, 856,
&end
#
# 14 ILE QG2 54 GLU HG+ 5.00 (# 805:20 Preassigned 5.02, 6.60 A)
&rst
ixpk= 805, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 185, 186, 187,
igr2= 855, 856,
&end
#
# 0 AMB 20-2:806 0 AMB 20-1:806 5.00 (# 806:20 Double Ambig)
&rst
ixpk= 806, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 165,1321, 827,
igr2= 855, 856,1294,1295, 855, 856,
&end
#
# 53 TYR HA 54 GLU HG+ 5.00 (# 807:20 Unique 4.17, 4.67 A)
&rst
ixpk= 807, nxpk= 20, iat= 829, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 855, 856,
&end
#
# 0 AMB 20-2:808 0 AMB 20-1:808 3.00 (# 808:20 Double Ambig)
&rst
ixpk= 808, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 852, 853, 852, 853,
igr2= 855, 856, 855, 856,
&end
#
# 0 AMB 20-2:809 0 AMB 20-1:809 6.00 (# 809:20 Double Ambig)
&rst
ixpk= 809, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1272,1273,1272,1273,
igr2=1294,1295,1294,1295,
&end
#
# 0 AMB 20-2:810 0 AMB 20-1:810 4.00 (# 810:20 Double Ambig)
&rst
ixpk= 810, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 538, 539,1302,
igr2=1294,1295,1294,1295,
&end
#
# 87 GLN HE2+ 84 GLU HG+ 6.00 (# 811:20 Preassigned 7.66, 8.38 A)
&rst
ixpk= 811, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1352,1353,
igr2=1294,1295,
&end
#
# 84 GLU HN 84 GLU HG+ 4.00 (# 812:20 Unique 2.34, 3.02 A)
&rst
ixpk= 812, nxpk= 20, iat=1287, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1294,1295,
&end
#
# 0 AMB 20-2:813 0 AMB 20-1:813 5.00 (# 813:20 Double Ambig)
&rst
ixpk= 813, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr1= 577, 581, 538, 539,
igr2=1294,1295,1294,1295,
&end
#
# 84 GLU HA 84 GLU HG+ 4.00 (# 814:20 Unique 3.03, 3.39 A)
&rst
ixpk= 814, nxpk= 20, iat=1289, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1294,1295,
&end
#
# 0 AMB 20-2:815 0 AMB 20-1:815 4.00 (# 815:20 Double Ambig)
&rst
ixpk= 815, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 571, 572,1361,1362,
igr2=1294,1295,1294,1295,
&end
#
# 0 AMB 20-2:816 84 GLU HG- 5.00 (# 816:20 Single Ambig)
&rst
ixpk= 816, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 571, 572,1278,1279,1361,1362,
igr2=1294,1295,
&end
#
# 0 AMB 20-2:817 84 GLU HG- 4.00 (# 817:20 Single Ambig)
&rst
ixpk= 817, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 538, 539,1302,
igr2=1294,1295,
&end
#
# 84 GLU HN 84 GLU HG- 4.00 (# 818:20 Unique 2.34, 3.02 A)
&rst
ixpk= 818, nxpk= 20, iat=1287, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1294,1295,
&end
#
# 81 ALA HA 84 GLU HG- 5.00 (# 819:20 Unique 3.64, 3.78 A)
&rst
ixpk= 819, nxpk= 20, iat=1238, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1294,1295,
&end
#
# 14 ILE HA 14 ILE HB 4.00 (# 820:20 Unique 3.07, 3.07 A)
&rst
ixpk= 820, nxpk= 20, iat= 181, 183, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 17 ASN HD2+ 14 ILE HB 5.00 (# 822:20 Unique 3.15, 3.47 A)
&rst
ixpk= 822, nxpk= 20, iat= -1, 183, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 240, 241,
&end
#
# 13 THR HA 14 ILE HB 5.00 (# 823:20 Preassigned 4.70, 4.70 A)
&rst
ixpk= 823, nxpk= 20, iat= 167, 183, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 13 THR MG2 14 ILE HB 6.00 (# 824:20 Unique 4.32, 5.10 A)
&rst
ixpk= 824, nxpk= 20, iat= -1, 183, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 171, 172, 173,
&end
#
# 105 PHE HN 104 GLU HG+ 5.00 (# 825:20 Unique 4.88, 5.05 A)
&rst
ixpk= 825, nxpk= 20, iat=1604, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1596,1597,
&end
#
# 14 ILE HN 14 ILE HB 4.00 (# 826:20 Unique 2.50, 2.50 A)
&rst
ixpk= 826, nxpk= 20, iat= 179, 183, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 17 ASN HB- 14 ILE HB 5.00 (# 827:20 Unique 2.44, 3.20 A)
&rst
ixpk= 827, nxpk= 20, iat= -1, 183, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 235, 236,
&end
#
# 14 ILE HG1+ 14 ILE HB 4.00 (# 828:20 Unique 2.45, 2.74 A)
&rst
ixpk= 828, nxpk= 20, iat= -1, 183, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 189, 190,
&end
#
# 14 ILE QG2 14 ILE HB 3.00 (# 829:20 Unique 2.48, 2.67 A)
&rst
ixpk= 829, nxpk= 20, iat= -1, 183, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 185, 186, 187,
&end
#
# 104 GLU HN 104 GLU HG+ 4.00 (# 830:20 Unique 2.46, 2.97 A)
&rst
ixpk= 830, nxpk= 20, iat=1589, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1596,1597,
&end
#
# 105 PHE HD 104 GLU HG+ 5.00 (# 831:20 Unique 5.18, 6.67 A)
&rst
ixpk= 831, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1612,1620,
igr2=1596,1597,
&end
#
# 103 ASP HN 104 GLU HG+ 6.00 (# 832:20 Unique 2.87, 3.52 A)
&rst
ixpk= 832, nxpk= 20, iat=1577, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1596,1597,
&end
#
# 104 GLU HA 104 GLU HG+ 4.00 (# 833:20 Unique 2.48, 2.85 A)
&rst
ixpk= 833, nxpk= 20, iat=1591, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1596,1597,
&end
#
# 104 GLU HB- 104 GLU HG+ 3.00 (# 834:20 Unique 2.43, 2.76 A)
&rst
ixpk= 834, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1593,1594,
igr2=1596,1597,
&end
#
# 0 AMB 20-2:835 87 GLN HG- 5.00 (# 835:20 Single Ambig)
&rst
ixpk= 835, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1321,1357,
igr2=1347,1348,
&end
#
# 87 GLN HN 87 GLN HG- 4.00 (# 836:20 Unique 2.51, 3.05 A)
&rst
ixpk= 836, nxpk= 20, iat=1340, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1347,1348,
&end
#
# 87 GLN HE2+ 87 GLN HG- 5.00 (# 837:20 Unique 2.55, 3.50 A)
&rst
ixpk= 837, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1352,1353,
igr2=1347,1348,
&end
#
# 51 TYR HE 87 GLN HG- 5.00 (# 838:20 Unique 4.42, 5.04 A)
&rst
ixpk= 838, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 802, 807,
igr2=1347,1348,
&end
#
# 87 GLN HA 87 GLN HG- 4.00 (# 839:20 Unique 2.40, 2.74 A)
&rst
ixpk= 839, nxpk= 20, iat=1342, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1347,1348,
&end
#
# 87 GLN HB+ 87 GLN HG- 3.00 (# 840:20 Unique 2.44, 2.77 A)
&rst
ixpk= 840, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1344,1345,
igr2=1347,1348,
&end
#
# 0 AMB 20-2:841 87 GLN HG- 5.00 (# 841:20 Single Ambig)
&rst
ixpk= 841, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1272,1273,1272,1273,
igr2=1347,1348,
&end
#
# 86 LEU HB+ 87 GLN HG- 6.00 (# 842:20 Unique 2.98, 3.91 A)
&rst
ixpk= 842, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1325,1326,
igr2=1347,1348,
&end
#
# 47 VAL MGX 87 GLN HG- 3.00 (# 843:20 Unique 2.79, 4.54 A)
&rst
ixpk= 843, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 733, 734, 735, 737, 738, 739,
igr2=1347,1348,
&end
#
# 86 LEU HB- 87 GLN HG- 5.00 (# 844:20 Unique 2.98, 3.91 A)
&rst
ixpk= 844, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1325,1326,
igr2=1347,1348,
&end
#
# 0 AMB 20-2:845 0 AMB 20-1:845 5.00 (# 845:20 Double Ambig)
&rst
ixpk= 845, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1321,1357,
igr2=1347,1348,1347,1348,
&end
#
# 87 GLN HN 87 GLN HG+ 4.00 (# 846:20 Unique 2.51, 3.05 A)
&rst
ixpk= 846, nxpk= 20, iat=1340, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1347,1348,
&end
#
# 87 GLN HE2+ 87 GLN HG+ 4.00 (# 847:20 Unique 2.55, 3.50 A)
&rst
ixpk= 847, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1352,1353,
igr2=1347,1348,
&end
#
# 87 GLN HE2- 87 GLN HG+ 5.00 (# 848:20 Unique 2.55, 3.50 A)
&rst
ixpk= 848, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1352,1353,
igr2=1347,1348,
&end
#
# 51 TYR HE 87 GLN HG+ 5.00 (# 849:20 Unique 4.42, 5.04 A)
&rst
ixpk= 849, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 802, 807,
igr2=1347,1348,
&end
#
# 87 GLN HA 87 GLN HG+ 3.00 (# 850:20 Unique 2.40, 2.74 A)
&rst
ixpk= 850, nxpk= 20, iat=1342, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1347,1348,
&end
#
# 87 GLN HB+ 87 GLN HG+ 3.00 (# 851:20 Unique 2.44, 2.77 A)
&rst
ixpk= 851, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1344,1345,
igr2=1347,1348,
&end
#
# 0 AMB 20-2:852 0 AMB 20-1:852 5.00 (# 852:20 Double Ambig)
&rst
ixpk= 852, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr1=1272,1273,1272,1273,
igr2=1347,1348,1347,1348,
&end
#
# 47 VAL MGX 87 GLN HG+ 3.00 (# 853:20 Unique 2.79, 4.54 A)
&rst
ixpk= 853, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 733, 734, 735, 737, 738, 739,
igr2=1347,1348,
&end
#
# 98 SER HB+ 102 GLU HG+ 5.00 (# 856:20 Unique 3.38, 3.55 A)
&rst
ixpk= 856, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1503,1504,
igr2=1569,1570,
&end
#
# 21 TRP HE1 102 GLU HG+ 4.00 (# 858:20 Unique 2.59, 3.11 A)
&rst
ixpk= 858, nxpk= 20, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1569,1570,
&end
#
# 0 AMB 20-2:859 0 AMB 20-1:859 5.00 (# 859:20 Double Ambig)
&rst
ixpk= 859, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 305,1543,1577,
igr2=1569,1570,1569,1570,1569,1570,
&end
#
# 21 TRP HZ2 102 GLU HG+ 5.00 (# 860:20 Unique 3.12, 3.32 A)
&rst
ixpk= 860, nxpk= 20, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1569,1570,
&end
#
# 104 GLU HN 102 GLU HG+ 4.00 (# 861:20 Unique 5.41, 5.65 A)
&rst
ixpk= 861, nxpk= 20, iat=1589, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1569,1570,
&end
#
# 105 PHE HD 102 GLU HG+ 4.00 (# 862:20 Preassigned 4.77, 7.08 A)
&rst
ixpk= 862, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1612,1620,
igr2=1569,1570,
&end
#
# 21 TRP HD1 102 GLU HG+ 5.00 (# 863:20 Unique 4.03, 4.59 A)
&rst
ixpk= 863, nxpk= 20, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1569,1570,
&end
#
# 0 AMB 20-2:864 0 AMB 20-1:864 5.00 (# 864:20 Double Ambig)
&rst
ixpk= 864, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1545,1503,1504,
igr2=1569,1570,1569,1570,
&end
#
# 102 GLU HA 102 GLU HG+ 4.00 (# 865:20 Unique 3.12, 3.52 A)
&rst
ixpk= 865, nxpk= 20, iat=1564, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1569,1570,
&end
#
# 102 GLU HB- 102 GLU HG+ 3.00 (# 866:20 Unique 2.32, 2.61 A)
&rst
ixpk= 866, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1566,1567,
igr2=1569,1570,
&end
#
# 102 GLU HB+ 102 GLU HG+ 3.00 (# 867:20 Unique 2.32, 2.61 A)
&rst
ixpk= 867, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1566,1567,
igr2=1569,1570,
&end
#
# 100 ILE HG1- 102 GLU HG+ 5.00 (# 868:20 Unique 4.09, 5.53 A)
&rst
ixpk= 868, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1534,1535,
igr2=1569,1570,
&end
#
# 90 MET HA 90 MET HG+ 4.00 (# 870:20 Unique 2.32, 2.92 A)
&rst
ixpk= 870, nxpk= 20, iat=1380, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1385,1386,
&end
#
# 93 ARG HB+ 90 MET HG+ 6.00 (# 871:20 Unique 3.35, 3.92 A)
&rst
ixpk= 871, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1420,1421,
igr2=1385,1386,
&end
#
# 85 LEU MDY 90 MET HG+ 5.00 (# 872:20 Unique 2.28, 4.77 A)
&rst
ixpk= 872, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1311,1312,1313,1315,1316,1317,
igr2=1385,1386,
&end
#
# 113 GLN HN 113 GLN HG+ 4.00 (# 880:20 Unique 2.41, 3.01 A)
&rst
ixpk= 880, nxpk= 20, iat=1740, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1747,1748,
&end
#
# 113 GLN HA 113 GLN HG+ 4.00 (# 882:20 Unique 2.60, 2.84 A)
&rst
ixpk= 882, nxpk= 20, iat=1742, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1747,1748,
&end
#
# 4 THR MG2 3 GLN HG+ 5.00 (# 886:20 Preassigned 6.27, 7.62 A)
&rst
ixpk= 886, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 63, 64, 65,
igr2= 47, 48,
&end
#
# 113 GLN HN 113 GLN HG- 4.00 (# 887:20 Unique 2.41, 3.01 A)
&rst
ixpk= 887, nxpk= 20, iat=1740, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1747,1748,
&end
#
# 3 GLN HE2+ 3 GLN HG+ 4.00 (# 888:20 Unique 2.41, 3.43 A)
&rst
ixpk= 888, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 52, 53,
igr2= 47, 48,
&end
#
# 0 AMB 20-2:889 0 AMB 20-1:889 3.00 (# 889:20 Double Ambig)
&rst
ixpk= 889, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 44, 45,1744,1745,
igr2= 47, 48,1747,1748,
&end
#
# 90 MET HN 90 MET HG+ 4.00 (# 892:20 Unique 3.23, 3.63 A)
&rst
ixpk= 892, nxpk= 20, iat=1378, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1385,1386,
&end
#
# 93 ARG HN 90 MET HG+ 5.00 (# 893:20 Unique 4.95, 5.18 A)
&rst
ixpk= 893, nxpk= 20, iat=1416, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1385,1386,
&end
#
# 90 MET HN 90 MET HB+ 5.00 (# 894:20 Unique 2.38, 2.99 A)
&rst
ixpk= 894, nxpk= 20, iat=1378, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1382,1383,
&end
#
# 32 TRP HZ3 90 MET HB+ 5.00 (# 895:20 Unique 5.49, 6.23 A)
&rst
ixpk= 895, nxpk= 20, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1382,1383,
&end
#
# 90 MET HA 90 MET HB+ 4.00 (# 896:20 Unique 2.50, 2.76 A)
&rst
ixpk= 896, nxpk= 20, iat=1380, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1382,1383,
&end
#
# 0 AMB 20-2:897 0 AMB 20-1:897 5.00 (# 897:20 Double Ambig)
&rst
ixpk= 897, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1=1373,1374,1411,1412,1304,
igr2=1382,1383,1382,1383,1382,1383,
&end
#
# 0 AMB 20-2:898 0 AMB 20-1:898 5.00 (# 898:20 Double Ambig)
&rst
ixpk= 898, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.24, r4= 8.74,
igr1=1516,1517,1518,1547,1548,
igr2=1382,1383,1382,1383,
&end
#
# 0 AMB 20-2:899 0 AMB 20-1:899 4.00 (# 899:20 Double Ambig)
&rst
ixpk= 899, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1311,1312,1313,1315,1316,1317,1552,1553,1554,1556,
1557,1558,1552,1553,1554,1556,1557,1558,
igr2=1382,1383,1382,1383,1382,1383,
&end
#
# 95 ILE QD1 90 MET HB+ 5.00 (# 900:20 Unique 5.04, 5.82 A)
&rst
ixpk= 900, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1467,1468,1469,
igr2=1382,1383,
&end
#
# 93 ARG HB- 90 MET HB- 6.00 (# 901:20 Unique 2.37, 3.48 A)
&rst
ixpk= 901, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1420,1421,
igr2=1382,1383,
&end
#
# 90 MET HN 90 MET HB- 5.00 (# 902:20 Unique 2.38, 2.99 A)
&rst
ixpk= 902, nxpk= 20, iat=1378, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1382,1383,
&end
#
# 32 TRP HZ3 90 MET HB- 5.00 (# 903:20 Unique 5.49, 6.23 A)
&rst
ixpk= 903, nxpk= 20, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1382,1383,
&end
#
# 90 MET HA 90 MET HB- 4.00 (# 904:20 Unique 2.50, 2.76 A)
&rst
ixpk= 904, nxpk= 20, iat=1380, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1382,1383,
&end
#
# 0 AMB 20-2:905 90 MET HB- 6.00 (# 905:20 Single Ambig)
&rst
ixpk= 905, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1=1373,1374,1411,1412,1304,
igr2=1382,1383,
&end
#
# 0 AMB 20-2:906 90 MET HB- 4.00 (# 906:20 Single Ambig)
&rst
ixpk= 906, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1=1311,1312,1313,1315,1316,1317,1552,1553,1554,1556,
1557,1558,1552,1553,1554,1556,1557,1558,
igr2=1382,1383,
&end
#
# 95 ILE QD1 90 MET HB- 5.00 (# 907:20 Unique 5.04, 5.82 A)
&rst
ixpk= 907, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1467,1468,1469,
igr2=1382,1383,
&end
#
# 58 GLN HE2+ 58 GLN HG+ 3.00 (# 909:20 Unique 2.32, 3.39 A)
&rst
ixpk= 909, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 922, 923,
igr2= 917, 918,
&end
#
# 70 GLN HE2+ 70 GLN HG+ 3.00 (# 910:20 Unique 2.47, 3.46 A)
&rst
ixpk= 910, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1096,1097,
igr2=1091,1092,
&end
#
# 58 GLN HE2- 58 GLN HG+ 3.00 (# 911:20 Unique 2.32, 3.39 A)
&rst
ixpk= 911, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 922, 923,
igr2= 917, 918,
&end
#
# 0 AMB 20-2:913 0 AMB 20-1:913 3.00 (# 913:20 Double Ambig)
&rst
ixpk= 913, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 912,1046,
igr2= 917, 918,1091,1092,
&end
#
# 61 VAL MGX 58 GLN HG+ 5.00 (# 914:20 Preassigned 5.30, 6.60 A)
&rst
ixpk= 914, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 963, 964, 965, 967, 968, 969,
igr2= 917, 918,
&end
#
# 70 GLN HA 70 GLN HG+ 3.00 (# 915:20 Unique 2.49, 2.68 A)
&rst
ixpk= 915, nxpk= 20, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1091,1092,
&end
#
# 0 AMB 20-2:916 0 AMB 20-1:916 4.00 (# 916:20 Double Ambig)
&rst
ixpk= 916, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1=1053,1054,1055,1057,1058,1059, 403, 404, 405,
igr2=1091,1092,1091,1092,
&end
#
# 70 GLN HN 70 GLN HG- 5.00 (# 917:20 Unique 2.60, 3.20 A)
&rst
ixpk= 917, nxpk= 20, iat=1084, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1091,1092,
&end
#
# 70 GLN HE2+ 70 GLN HG- 3.00 (# 918:20 Unique 2.47, 3.46 A)
&rst
ixpk= 918, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1096,1097,
igr2=1091,1092,
&end
#
# 70 GLN HE2- 70 GLN HG- 4.00 (# 919:20 Unique 2.47, 3.46 A)
&rst
ixpk= 919, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1096,1097,
igr2=1091,1092,
&end
#
# 70 GLN HA 70 GLN HG- 3.00 (# 921:20 Unique 2.49, 2.68 A)
&rst
ixpk= 921, nxpk= 20, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1091,1092,
&end
#
# 70 GLN HB- 70 GLN HG- 3.00 (# 922:20 Unique 2.44, 2.78 A)
&rst
ixpk= 922, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1088,1089,
igr2=1091,1092,
&end
#
# 0 AMB 20-2:923 70 GLN HG- 5.00 (# 923:20 Single Ambig)
&rst
ixpk= 923, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1078,1079,1080,1107,1108,1109,
igr2=1091,1092,
&end
#
# 0 AMB 20-2:924 70 GLN HG- 6.00 (# 924:20 Single Ambig)
&rst
ixpk= 924, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.04, r4=10.54,
igr1=1053,1054,1055,1057,1058,1059, 400, 401, 396, 397,
398,
igr2=1091,1092,
&end
#
# 0 AMB 20-2:928 78 MET HG- 4.00 (# 928:20 Single Ambig)
&rst
ixpk= 928, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41,
igr1=1128,1129,1130,1013,1014,1015,1017,1018,1019,1157,
1158,1159,1161,1162,1163, 380, 381, 382, 384, 385,
386,1135,1136,1137,1053,1054,1055,1057,1058,1059,
igr2=1205,1206,
&end
#
# 78 MET HA 78 MET HG- 5.00 (# 929:20 Unique 3.02, 3.34 A)
&rst
ixpk= 929, nxpk= 20, iat=1200, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1205,1206,
&end
#
# 78 MET HB- 78 MET HG- 4.00 (# 930:20 Unique 2.40, 2.58 A)
&rst
ixpk= 930, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1202,1203,
igr2=1205,1206,
&end
#
# 0 AMB 20-2:931 78 MET HG- 4.00 (# 931:20 Single Ambig)
&rst
ixpk= 931, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 318, 319,1107,1108,1109,
igr2=1205,1206,
&end
#
# 78 MET ME 78 MET HG- 3.00 (# 932:20 Unique 2.55, 3.65 A)
&rst
ixpk= 932, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1209,1210,1211,
igr2=1205,1206,
&end
#
# 0 AMB 20-2:933 78 MET HG- 4.00 (# 933:20 Single Ambig)
&rst
ixpk= 933, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 270, 271, 272, 274, 275, 276, 270, 271, 272, 274,
275, 276,
igr2=1205,1206,
&end
#
# 0 AMB 20-2:934 78 MET HG- 5.00 (# 934:20 Single Ambig)
&rst
ixpk= 934, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1198, 374,
igr2=1205,1206,
&end
#
# 23 TYR HD 78 MET HG- 5.00 (# 935:20 Unique 3.25, 4.85 A)
&rst
ixpk= 935, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 341, 350,
igr2=1205,1206,
&end
#
# 0 AMB 20-2:936 0 AMB 20-1:936 5.00 (# 936:20 Double Ambig)
&rst
ixpk= 936, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1078,1079,1080,1107,1108,1109,
igr2=1091,1092,1091,1092,
&end
#
# 0 AMB 20-2:937 70 GLN HG- 4.00 (# 937:20 Single Ambig)
&rst
ixpk= 937, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1046,1067,1068,
igr2=1091,1092,
&end
#
# 0 AMB 20-2:938 70 GLN HG- 4.00 (# 938:20 Single Ambig)
&rst
ixpk= 938, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1053,1054,1055,1057,1058,1059, 403, 404, 405,
igr2=1091,1092,
&end
#
# 83 LYS HN 83 LYS HB+ 3.00 (# 939:20 Unique 2.43, 2.44 A)
&rst
ixpk= 939, nxpk= 20, iat=1265, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1269,1270,
&end
#
# 0 AMB 20-2:940 0 AMB 20-1:940 3.00 (# 940:20 Double Ambig)
&rst
ixpk= 940, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 682, 690,1287, 684, 688,
igr2=1269,1270,1269,1270,1269,1270,
&end
#
# 80 ALA HA 83 LYS HB+ 3.00 (# 941:20 Unique 2.30, 2.63 A)
&rst
ixpk= 941, nxpk= 20, iat=1228, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1269,1270,
&end
#
# 83 LYS HA 83 LYS HB+ 4.00 (# 942:20 Unique 2.43, 2.73 A)
&rst
ixpk= 942, nxpk= 20, iat=1267, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1269,1270,
&end
#
# 83 LYS HD+ 83 LYS HB+ 3.00 (# 943:20 Unique 2.46, 2.79 A)
&rst
ixpk= 943, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1275,1276,
igr2=1269,1270,
&end
#
# 0 AMB 20-2:944 0 AMB 20-1:944 3.00 (# 944:20 Double Ambig)
&rst
ixpk= 944, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1272,1273,1272,1273,
igr2=1269,1270,1269,1270,
&end
#
# 0 AMB 20-2:945 0 AMB 20-1:945 5.00 (# 945:20 Double Ambig)
&rst
ixpk= 945, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.72, r4=10.22,
igr1= 733, 734, 735, 737, 738, 739, 747, 748, 749,
igr2=1269,1270, 757, 758,1269,1270,
&end
#
# 80 ALA HA 83 LYS HB- 4.00 (# 947:20 Unique 2.30, 2.63 A)
&rst
ixpk= 947, nxpk= 20, iat=1228, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1269,1270,
&end
#
# 83 LYS HN 83 LYS HB- 3.00 (# 948:20 Unique 2.43, 2.44 A)
&rst
ixpk= 948, nxpk= 20, iat=1265, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1269,1270,
&end
#
# 83 LYS HA 83 LYS HB- 4.00 (# 949:20 Unique 2.43, 2.73 A)
&rst
ixpk= 949, nxpk= 20, iat=1267, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1269,1270,
&end
#
# 0 AMB 20-2:950 78 MET HG- 4.00 (# 950:20 Single Ambig)
&rst
ixpk= 950, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 263, 335,
igr2=1205,1206,
&end
#
# 57 THR HN 60 HIS HB+ 4.00 (# 951:20 Unique 2.02, 2.71 A)
&rst
ixpk= 951, nxpk= 20, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 943, 944,
&end
#
# 61 VAL HN 60 HIS HB+ 5.00 (# 952:20 Unique 2.36, 2.94 A)
&rst
ixpk= 952, nxpk= 20, iat= 957, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 943, 944,
&end
#
# 60 HIS HN 60 HIS HB+ 4.00 (# 953:20 Unique 2.26, 2.93 A)
&rst
ixpk= 953, nxpk= 20, iat= 939, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 943, 944,
&end
#
# 60 HIS HA 60 HIS HB+ 4.00 (# 954:20 Unique 2.65, 2.79 A)
&rst
ixpk= 954, nxpk= 20, iat= 941, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 943, 944,
&end
#
# 56 LEU MDY 60 HIS HB+ 4.00 (# 955:20 Unique 2.12, 3.88 A)
&rst
ixpk= 955, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 886, 887, 888, 890, 891, 892,
igr2= 943, 944,
&end
#
# 56 LEU HG 60 HIS HB+ 4.00 (# 956:20 Unique 2.36, 2.67 A)
&rst
ixpk= 956, nxpk= 20, iat= 884, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 943, 944,
&end
#
# 56 LEU MDX 60 HIS HB+ 5.00 (# 957:20 Unique 2.12, 3.88 A)
&rst
ixpk= 957, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 886, 887, 888, 890, 891, 892,
igr2= 943, 944,
&end
#
# 61 VAL HN 60 HIS HB- 5.00 (# 958:20 Unique 2.36, 2.94 A)
&rst
ixpk= 958, nxpk= 20, iat= 957, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 943, 944,
&end
#
# 60 HIS HN 60 HIS HB- 4.00 (# 959:20 Unique 2.26, 2.93 A)
&rst
ixpk= 959, nxpk= 20, iat= 939, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 943, 944,
&end
#
# 56 LEU HA 60 HIS HB- 5.00 (# 960:20 Unique 3.47, 3.64 A)
&rst
ixpk= 960, nxpk= 20, iat= 879, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 943, 944,
&end
#
# 60 HIS HA 60 HIS HB- 4.00 (# 961:20 Unique 2.65, 2.79 A)
&rst
ixpk= 961, nxpk= 20, iat= 941, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 943, 944,
&end
#
# 0 AMB 20-2:962 60 HIS HB- 3.00 (# 962:20 Single Ambig)
&rst
ixpk= 962, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 221, 222, 223, 225, 226, 227, 963, 964, 965, 967,
968, 969, 963, 964, 965, 967, 968, 969,
igr2= 943, 944,
&end
#
# 56 LEU HG 60 HIS HB- 4.00 (# 963:20 Unique 2.36, 2.67 A)
&rst
ixpk= 963, nxpk= 20, iat= 884, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 943, 944,
&end
#
# 56 LEU MDX 60 HIS HB- 5.00 (# 964:20 Unique 2.12, 3.88 A)
&rst
ixpk= 964, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 886, 887, 888, 890, 891, 892,
igr2= 943, 944,
&end
#
# 0 AMB 20-2:965 0 AMB 20-1:965 5.00 (# 965:20 Double Ambig)
&rst
ixpk= 965, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 827,1246,1321,
igr2= 757, 758,1269,1270,1269,1270,
&end
#
# 0 AMB 20-2:966 0 AMB 20-1:966 5.00 (# 966:20 Double Ambig)
&rst
ixpk= 966, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 710,1289,
igr2= 757, 758,1269,1270,
&end
#
# 49 MET HG+ 49 MET HB+ 3.00 (# 967:20 Unique 2.43, 2.74 A)
&rst
ixpk= 967, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 760, 761,
igr2= 757, 758,
&end
#
# 49 MET HN 49 MET HB+ 3.00 (# 968:20 Unique 2.42, 3.01 A)
&rst
ixpk= 968, nxpk= 20, iat= 753, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 757, 758,
&end
#
# 50 LYS HN 49 MET HB+ 5.00 (# 969:20 Unique 3.02, 3.43 A)
&rst
ixpk= 969, nxpk= 20, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 757, 758,
&end
#
# 49 MET HA 49 MET HB+ 3.00 (# 970:20 Unique 2.53, 2.78 A)
&rst
ixpk= 970, nxpk= 20, iat= 755, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 757, 758,
&end
#
# 49 MET HG- 49 MET HB+ 3.00 (# 971:20 Unique 2.43, 2.74 A)
&rst
ixpk= 971, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 760, 761,
igr2= 757, 758,
&end
#
# 0 AMB 20-2:972 83 LYS HB- 4.00 (# 972:20 Single Ambig)
&rst
ixpk= 972, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 682, 690,1287, 684, 688,
igr2=1269,1270,
&end
#
# 0 AMB 20-2:973 83 LYS HB- 3.00 (# 973:20 Single Ambig)
&rst
ixpk= 973, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1272,1273,1272,1273,
igr2=1269,1270,
&end
#
# 83 LYS HD+ 83 LYS HB- 4.00 (# 974:20 Unique 2.46, 2.79 A)
&rst
ixpk= 974, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1275,1276,
igr2=1269,1270,
&end
#
# 0 AMB 20-2:975 0 AMB 20-1:975 3.00 (# 975:20 Double Ambig)
&rst
ixpk= 975, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 221, 222, 223, 225, 226, 227, 963, 964, 965, 967,
968, 969, 963, 964, 965, 967, 968, 969,
igr2= 943, 944, 943, 944, 943, 944,
&end
#
# 57 THR HN 60 HIS HB- 5.00 (# 976:20 Unique 2.02, 2.71 A)
&rst
ixpk= 976, nxpk= 20, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 943, 944,
&end
#
# 56 LEU MDY 60 HIS HB- 4.00 (# 977:20 Unique 2.12, 3.88 A)
&rst
ixpk= 977, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 886, 887, 888, 890, 891, 892,
igr2= 943, 944,
&end
#
# 117 VAL HN 117 VAL HB 4.00 (# 978:20 Unique 2.46, 2.46 A)
&rst
ixpk= 978, nxpk= 20, iat=1786,1790, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 117 VAL HA 117 VAL HB 3.00 (# 980:20 Unique 3.04, 3.04 A)
&rst
ixpk= 980, nxpk= 20, iat=1788,1790, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 117 VAL MGY 117 VAL HB 3.00 (# 981:20 Unique 2.46, 2.67 A)
&rst
ixpk= 981, nxpk= 20, iat= -1,1790, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1792,1793,1794,1796,1797,1798,
&end
#
# 49 MET HN 49 MET HG+ 4.00 (# 982:20 Unique 2.23, 2.82 A)
&rst
ixpk= 982, nxpk= 20, iat= 753, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 760, 761,
&end
#
# 45 ASN HA 49 MET HG+ 5.00 (# 983:20 Unique 3.60, 4.38 A)
&rst
ixpk= 983, nxpk= 20, iat= 696, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 760, 761,
&end
#
# 0 AMB 20-2:984 0 AMB 20-1:984 4.00 (# 984:20 Double Ambig)
&rst
ixpk= 984, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 755, 873,
igr2= 760, 761, 760, 761,
&end
#
# 49 MET HB+ 49 MET HG+ 3.00 (# 985:20 Unique 2.43, 2.74 A)
&rst
ixpk= 985, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 757, 758,
igr2= 760, 761,
&end
#
# 48 ALA MB 49 MET HG+ 5.00 (# 986:20 Unique 3.48, 4.96 A)
&rst
ixpk= 986, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 747, 748, 749,
igr2= 760, 761,
&end
#
# 55 PRO HD- 49 MET HG+ 5.00 (# 987:20 Unique 3.16, 4.46 A)
&rst
ixpk= 987, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 864, 865,
igr2= 760, 761,
&end
#
# 55 PRO HD- 49 MET HG- 5.00 (# 988:20 Unique 3.16, 4.46 A)
&rst
ixpk= 988, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 864, 865,
igr2= 760, 761,
&end
#
# 49 MET HN 49 MET HG- 4.00 (# 989:20 Unique 2.23, 2.82 A)
&rst
ixpk= 989, nxpk= 20, iat= 753, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 760, 761,
&end
#
# 0 AMB 20-2:990 49 MET HG- 4.00 (# 990:20 Single Ambig)
&rst
ixpk= 990, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 755, 873,
igr2= 760, 761,
&end
#
# 46 LEU HA 49 MET HG- 5.00 (# 991:20 Unique 4.36, 5.10 A)
&rst
ixpk= 991, nxpk= 20, iat= 710, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 760, 761,
&end
#
# 49 MET HB+ 49 MET HG- 3.00 (# 992:20 Unique 2.43, 2.74 A)
&rst
ixpk= 992, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 757, 758,
igr2= 760, 761,
&end
#
# 48 ALA MB 49 MET HG- 5.00 (# 993:20 Unique 3.48, 4.96 A)
&rst
ixpk= 993, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 747, 748, 749,
igr2= 760, 761,
&end
#
# 67 LEU HN 66 PRO HB+ 5.00 (# 994:20 Unique 2.88, 3.53 A)
&rst
ixpk= 994, nxpk= 20, iat=1044, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1037,1038,
&end
#
# 66 PRO HA 66 PRO HB+ 3.00 (# 995:20 Unique 2.32, 2.66 A)
&rst
ixpk= 995, nxpk= 20, iat=1040, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1037,1038,
&end
#
# 66 PRO HD- 66 PRO HB+ 5.00 (# 996:20 Unique 2.95, 3.72 A)
&rst
ixpk= 996, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1031,1032,
igr2=1037,1038,
&end
#
# 66 PRO HG+ 66 PRO HB+ 4.00 (# 997:20 Unique 2.37, 2.64 A)
&rst
ixpk= 997, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1034,1035,
igr2=1037,1038,
&end
#
# 66 PRO HG- 66 PRO HB+ 4.00 (# 998:20 Unique 2.37, 2.64 A)
&rst
ixpk= 998, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1034,1035,
igr2=1037,1038,
&end
#
# 66 PRO HD+ 66 PRO HB+ 4.00 (# 999:20 Unique 2.95, 3.72 A)
&rst
ixpk= 999, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1031,1032,
igr2=1037,1038,
&end
#
# 45 ASN HB- 55 PRO HB- 5.00 (# 1001:20 Unique 2.94, 4.09 A)
&rst
ixpk= 1001, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 698, 699,
igr2= 870, 871,
&end
#
# 51 TYR HE 50 LYS HB+ 5.00 (# 1002:20 Unique 2.90, 4.68 A)
&rst
ixpk= 1002, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 802, 807,
igr2= 774, 775,
&end
#
# 51 TYR HE 50 LYS HB- 5.00 (# 1003:20 Unique 2.90, 4.68 A)
&rst
ixpk= 1003, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 802, 807,
igr2= 774, 775,
&end
#
# 66 PRO HA 66 PRO HB- 4.00 (# 1004:20 Unique 2.32, 2.66 A)
&rst
ixpk= 1004, nxpk= 20, iat=1040, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1037,1038,
&end
#
# 66 PRO HG+ 66 PRO HB- 3.00 (# 1005:20 Unique 2.37, 2.64 A)
&rst
ixpk= 1005, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1034,1035,
igr2=1037,1038,
&end
#
# 66 PRO HD+ 66 PRO HB- 4.00 (# 1006:20 Unique 2.95, 3.72 A)
&rst
ixpk= 1006, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1031,1032,
igr2=1037,1038,
&end
#
# 31 ARG HA 31 ARG HB+ 4.00 (# 1007:20 Unique 2.49, 2.76 A)
&rst
ixpk= 1007, nxpk= 20, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 446, 447,
&end
#
# 26 VAL HA 31 ARG HB+ 4.00 (# 1008:20 Unique 2.32, 3.11 A)
&rst
ixpk= 1008, nxpk= 20, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 446, 447,
&end
#
# 31 ARG HG+ 31 ARG HB+ 3.00 (# 1009:20 Unique 2.40, 2.75 A)
&rst
ixpk= 1009, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 449, 450,
igr2= 446, 447,
&end
#
# 31 ARG HD- 31 ARG HB+ 4.00 (# 1010:20 Unique 2.47, 3.32 A)
&rst
ixpk= 1010, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 452, 453,
igr2= 446, 447,
&end
#
# 34 LEU HG 31 ARG HB+ 6.00 (# 1011:20 Unique 4.84, 5.26 A)
&rst
ixpk= 1011, nxpk= 20, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 446, 447,
&end
#
# 31 ARG HD- 31 ARG HB- 4.00 (# 1012:20 Unique 2.47, 3.32 A)
&rst
ixpk= 1012, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 452, 453,
igr2= 446, 447,
&end
#
# 31 ARG HN 31 ARG HB- 5.00 (# 1013:20 Unique 2.46, 2.46 A)
&rst
ixpk= 1013, nxpk= 20, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 446, 447,
&end
#
# 31 ARG HA 31 ARG HB- 4.00 (# 1014:20 Unique 2.49, 2.76 A)
&rst
ixpk= 1014, nxpk= 20, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 446, 447,
&end
#
# 26 VAL HA 31 ARG HB- 5.00 (# 1015:20 Unique 2.32, 3.11 A)
&rst
ixpk= 1015, nxpk= 20, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 446, 447,
&end
#
# 34 LEU HG 31 ARG HB- 5.00 (# 1016:20 Unique 4.84, 5.26 A)
&rst
ixpk= 1016, nxpk= 20, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 446, 447,
&end
#
# 18 VAL HN 18 VAL HB 3.00 (# 1017:20 Unique 2.81, 2.81 A)
&rst
ixpk= 1017, nxpk= 20, iat= 245, 249, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 53 TYR HE 18 VAL HB 5.00 (# 1018:20 Unique 2.91, 4.95 A)
&rst
ixpk= 1018, nxpk= 20, iat= -1, 249, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 837, 842,
&end
#
# 18 VAL HA 18 VAL HB 4.00 (# 1019:20 Unique 3.04, 3.04 A)
&rst
ixpk= 1019, nxpk= 20, iat= 247, 249, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:1020 18 VAL HB 5.00 (# 1020:20 Single Ambig)
&rst
ixpk= 1020, nxpk= 20, iat= -1, 249, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 171, 172, 173, 323, 324, 325, 327, 328, 329, 886,
887, 888, 890, 891, 892,
&end
#
# 56 LEU HN 55 PRO HB+ 5.00 (# 1021:20 Unique 3.64, 3.84 A)
&rst
ixpk= 1021, nxpk= 20, iat= 877, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 870, 871,
&end
#
# 55 PRO HA 55 PRO HB+ 3.00 (# 1022:20 Unique 2.31, 2.53 A)
&rst
ixpk= 1022, nxpk= 20, iat= 873, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 870, 871,
&end
#
# 56 LEU HN 55 PRO HB- 5.00 (# 1023:20 Unique 3.64, 3.84 A)
&rst
ixpk= 1023, nxpk= 20, iat= 877, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 870, 871,
&end
#
# 55 PRO HA 55 PRO HB- 3.00 (# 1024:20 Unique 2.31, 2.53 A)
&rst
ixpk= 1024, nxpk= 20, iat= 873, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 870, 871,
&end
#
# 55 PRO HD+ 55 PRO HB- 4.00 (# 1025:20 Unique 3.11, 3.78 A)
&rst
ixpk= 1025, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 864, 865,
igr2= 870, 871,
&end
#
# 0 AMB 20-2:1026 0 AMB 20-1:1026 5.00 (# 1026:20 Double Ambig)
&rst
ixpk= 1026, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 753, 813,
igr2= 774, 775, 774, 775,
&end
#
# 0 AMB 20-2:1027 0 AMB 20-1:1027 3.00 (# 1027:20 Double Ambig)
&rst
ixpk= 1027, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 770, 792,
igr2= 774, 775, 774, 775,
&end
#
# 51 TYR HD 50 LYS HB+ 4.00 (# 1028:20 Unique 3.09, 4.79 A)
&rst
ixpk= 1028, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 800, 809,
igr2= 774, 775,
&end
#
# 50 LYS HA 50 LYS HB+ 3.00 (# 1029:20 Unique 2.47, 2.76 A)
&rst
ixpk= 1029, nxpk= 20, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 774, 775,
&end
#
# 47 VAL HA 50 LYS HB+ 4.00 (# 1030:20 Unique 3.52, 4.28 A)
&rst
ixpk= 1030, nxpk= 20, iat= 729, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 774, 775,
&end
#
# 50 LYS HD+ 50 LYS HB+ 3.00 (# 1031:20 Unique 2.50, 3.31 A)
&rst
ixpk= 1031, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 780, 781,
igr2= 774, 775,
&end
#
# 50 LYS HG+ 50 LYS HB+ 4.00 (# 1032:20 Unique 2.43, 2.75 A)
&rst
ixpk= 1032, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 777, 778,
igr2= 774, 775,
&end
#
# 50 LYS HG- 50 LYS HB+ 3.00 (# 1033:20 Unique 2.43, 2.75 A)
&rst
ixpk= 1033, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 777, 778,
igr2= 774, 775,
&end
#
# 0 AMB 20-2:1034 50 LYS HB- 5.00 (# 1034:20 Single Ambig)
&rst
ixpk= 1034, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 753, 813,
igr2= 774, 775,
&end
#
# 0 AMB 20-2:1035 0 AMB 20-1:1035 3.00 (# 1035:20 Double Ambig)
&rst
ixpk= 1035, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 770,1044, 792,
igr2= 774, 775,1037,1038,
&end
#
# 51 TYR HD 50 LYS HB- 4.00 (# 1036:20 Unique 3.09, 4.79 A)
&rst
ixpk= 1036, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 800, 809,
igr2= 774, 775,
&end
#
# 50 LYS HA 50 LYS HB- 3.00 (# 1037:20 Unique 2.47, 2.76 A)
&rst
ixpk= 1037, nxpk= 20, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 774, 775,
&end
#
# 47 VAL HA 50 LYS HB- 3.00 (# 1038:20 Unique 3.52, 4.28 A)
&rst
ixpk= 1038, nxpk= 20, iat= 729, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 774, 775,
&end
#
# 0 AMB 20-2:1039 50 LYS HB- 3.00 (# 1039:20 Single Ambig)
&rst
ixpk= 1039, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 780, 781, 780, 781,
igr2= 774, 775,
&end
#
# 50 LYS HG+ 50 LYS HB- 3.00 (# 1040:20 Unique 2.43, 2.75 A)
&rst
ixpk= 1040, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 777, 778,
igr2= 774, 775,
&end
#
# 50 LYS HG- 50 LYS HB- 3.00 (# 1041:20 Unique 2.43, 2.75 A)
&rst
ixpk= 1041, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 777, 778,
igr2= 774, 775,
&end
#
# 27 ILE HN 26 VAL HB 3.00 (# 1042:20 Unique 2.61, 2.61 A)
&rst
ixpk= 1042, nxpk= 20, iat= 390, 378, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 26 VAL HN 26 VAL HB 3.00 (# 1043:20 Unique 2.46, 2.46 A)
&rst
ixpk= 1043, nxpk= 20, iat= 374, 378, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 23 TYR HA 26 VAL HB 4.00 (# 1044:20 Unique 2.48, 2.48 A)
&rst
ixpk= 1044, nxpk= 20, iat= 335, 378, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 26 VAL HA 26 VAL HB 4.00 (# 1045:20 Unique 3.04, 3.04 A)
&rst
ixpk= 1045, nxpk= 20, iat= 376, 378, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 71 THR MG2 26 VAL HB 5.00 (# 1046:20 Unique 2.82, 3.56 A)
&rst
ixpk= 1046, nxpk= 20, iat= -1, 378, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1107,1108,1109,
&end
#
# 26 VAL MGY 26 VAL HB 3.00 (# 1047:20 Unique 2.45, 2.66 A)
&rst
ixpk= 1047, nxpk= 20, iat= -1, 378, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 380, 381, 382, 384, 385, 386,
&end
#
# 0 AMB 20-2:1048 26 VAL HB 3.00 (# 1048:20 Single Ambig)
&rst
ixpk= 1048, nxpk= 20, iat= -1, 378, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 380, 381, 382, 384, 385, 386, 400, 401,
&end
#
# 82 LEU HG 18 VAL HB 6.00 (# 1050:20 Unique 3.57, 3.57 A)
&rst
ixpk= 1050, nxpk= 20, iat=1253, 249, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 19 LEU HN 18 VAL HB 4.00 (# 1051:20 Unique 2.78, 2.78 A)
&rst
ixpk= 1051, nxpk= 20, iat= 261, 249, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:1052 18 VAL HB 5.00 (# 1052:20 Single Ambig)
&rst
ixpk= 1052, nxpk= 20, iat= -1, 249, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 200, 294, 295,
&end
#
# 18 VAL MGY 18 VAL HB 3.00 (# 1053:20 Unique 2.46, 2.67 A)
&rst
ixpk= 1053, nxpk= 20, iat= -1, 249, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 251, 252, 253, 255, 256, 257,
&end
#
# 18 VAL MGX 18 VAL HB 3.00 (# 1054:20 Unique 2.46, 2.67 A)
&rst
ixpk= 1054, nxpk= 20, iat= -1, 249, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 251, 252, 253, 255, 256, 257,
&end
#
# 110 VAL HN 110 VAL HB 4.00 (# 1055:20 Unique 2.60, 2.60 A)
&rst
ixpk= 1055, nxpk= 20, iat=1684,1688, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 111 VAL HN 111 VAL HB 4.00 (# 1056:20 Unique 2.22, 2.22 A)
&rst
ixpk= 1056, nxpk= 20, iat=1700,1704, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 112 ARG HN 111 VAL HB 5.00 (# 1057:20 Unique 2.73, 2.73 A)
&rst
ixpk= 1057, nxpk= 20, iat=1716,1704, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 111 VAL HA 111 VAL HB 3.00 (# 1058:20 Preassigned 3.01, 3.01 A)
&rst
ixpk= 1058, nxpk= 20, iat=1702,1704, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:1059 111 VAL HB 3.00 (# 1059:20 Single Ambig)
&rst
ixpk= 1059, nxpk= 20, iat= -1,1704, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1706,1707,1708,1710,1711,1712,1706,1707,1708,1710,
1711,1712,
&end
#
# 0 AMB 20-2:1061 75 VAL HB 3.00 (# 1061:20 Single Ambig)
&rst
ixpk= 1061, nxpk= 20, iat= -1,1155, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1151,1167,
&end
#
# 75 VAL HA 75 VAL HB 3.00 (# 1062:20 Unique 3.05, 3.05 A)
&rst
ixpk= 1062, nxpk= 20, iat=1153,1155, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 75 VAL MGY 75 VAL HB 3.00 (# 1063:20 Unique 2.46, 2.67 A)
&rst
ixpk= 1063, nxpk= 20, iat= -1,1155, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1157,1158,1159,1161,1162,1163,
&end
#
# 48 ALA HN 47 VAL HB 4.00 (# 1064:20 Unique 2.51, 2.51 A)
&rst
ixpk= 1064, nxpk= 20, iat= 743, 731, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 47 VAL HN 47 VAL HB 3.00 (# 1065:20 Unique 2.41, 2.41 A)
&rst
ixpk= 1065, nxpk= 20, iat= 727, 731, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 44 PHE HA 47 VAL HB 4.00 (# 1066:20 Unique 3.19, 3.19 A)
&rst
ixpk= 1066, nxpk= 20, iat= 676, 731, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:1067 47 VAL HB 4.00 (# 1067:20 Single Ambig)
&rst
ixpk= 1067, nxpk= 20, iat= -1, 731, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 729,1267,
&end
#
# 0 AMB 20-2:1068 47 VAL HB 4.00 (# 1068:20 Single Ambig)
&rst
ixpk= 1068, nxpk= 20, iat= -1, 731, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1272,1273,1272,1273,
&end
#
# 47 VAL MGY 47 VAL HB 3.00 (# 1069:20 Unique 2.46, 2.67 A)
&rst
ixpk= 1069, nxpk= 20, iat= -1, 731, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 733, 734, 735, 737, 738, 739,
&end
#
# 0 AMB 20-2:1070 0 AMB 20-1:1070 3.00 (# 1070:20 Double Ambig)
&rst
ixpk= 1070, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 270, 271, 272, 274, 275, 276, 270, 271, 272, 274,
275, 276,
igr2=1202,1203,1202,1203,
&end
#
# 108 PHE HN 107 PRO HB+ 6.00 (# 1072:20 Unique 2.53, 3.22 A)
&rst
ixpk= 1072, nxpk= 20, iat=1652, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1645,1646,
&end
#
# 107 PRO HA 107 PRO HB+ 3.00 (# 1073:20 Unique 2.32, 2.66 A)
&rst
ixpk= 1073, nxpk= 20, iat=1648, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1645,1646,
&end
#
# 78 MET HN 78 MET HB- 4.00 (# 1074:20 Unique 2.41, 2.53 A)
&rst
ixpk= 1074, nxpk= 20, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1202,1203,
&end
#
# 78 MET HA 78 MET HB- 4.00 (# 1075:20 Unique 2.54, 2.79 A)
&rst
ixpk= 1075, nxpk= 20, iat=1200, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1202,1203,
&end
#
# 0 AMB 20-2:1076 78 MET HB- 5.00 (# 1076:20 Single Ambig)
&rst
ixpk= 1076, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1157,1158,1159,1161,1162,1163,1013,1014,1015,1017,
1018,1019,
igr2=1202,1203,
&end
#
# 108 PHE HN 107 PRO HB- 6.00 (# 1077:20 Unique 2.53, 3.22 A)
&rst
ixpk= 1077, nxpk= 20, iat=1652, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1645,1646,
&end
#
# 63 ILE QG2 107 PRO HB- 3.00 (# 1078:20 Preassigned 2.37, 3.97 A)
&rst
ixpk= 1078, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 991, 992, 993,
igr2=1645,1646,
&end
#
# 58 GLN HE2+ 61 VAL HB 5.00 (# 1079:20 Unique 2.80, 3.05 A)
&rst
ixpk= 1079, nxpk= 20, iat= -1, 961, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 922, 923,
&end
#
# 58 GLN HE2- 61 VAL HB 5.00 (# 1080:20 Unique 2.80, 3.05 A)
&rst
ixpk= 1080, nxpk= 20, iat= -1, 961, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 922, 923,
&end
#
# 62 ASP HN 61 VAL HB 4.00 (# 1081:20 Unique 2.61, 2.61 A)
&rst
ixpk= 1081, nxpk= 20, iat= 973, 961, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 61 VAL HN 61 VAL HB 3.00 (# 1082:20 Unique 2.23, 2.23 A)
&rst
ixpk= 1082, nxpk= 20, iat= 957, 961, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:1083 61 VAL HB 5.00 (# 1083:20 Single Ambig)
&rst
ixpk= 1083, nxpk= 20, iat= -1, 961, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 975, 929,
&end
#
# 58 GLN HA 61 VAL HB 3.00 (# 1084:20 Unique 2.17, 2.17 A)
&rst
ixpk= 1084, nxpk= 20, iat= 912, 961, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 61 VAL HA 61 VAL HB 4.00 (# 1085:20 Unique 3.02, 3.02 A)
&rst
ixpk= 1085, nxpk= 20, iat= 959, 961, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:1086 61 VAL HB 3.00 (# 1086:20 Single Ambig)
&rst
ixpk= 1086, nxpk= 20, iat= -1, 961, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 963, 964, 965, 967, 968, 969, 963, 964, 965, 967,
968, 969,
&end
#
# 79 CYS HN 78 MET HB+ 4.00 (# 1087:20 Unique 2.89, 3.46 A)
&rst
ixpk= 1087, nxpk= 20, iat=1215, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1202,1203,
&end
#
# 0 AMB 20-2:1089 0 AMB 20-1:1089 5.00 (# 1089:20 Double Ambig)
&rst
ixpk= 1089, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1153, 202,
igr2=1202,1203, 852, 853,
&end
#
# 27 ILE HN 27 ILE HG1- 4.00 (# 1090:20 Unique 2.38, 3.07 A)
&rst
ixpk= 1090, nxpk= 20, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 400, 401,
&end
#
# 27 ILE HA 27 ILE HG1- 4.00 (# 1091:20 Unique 2.54, 2.60 A)
&rst
ixpk= 1091, nxpk= 20, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 400, 401,
&end
#
# 27 ILE QD1 27 ILE HG1- 3.00 (# 1092:20 Unique 2.48, 2.67 A)
&rst
ixpk= 1092, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 403, 404, 405,
igr2= 400, 401,
&end
#
# 79 CYS HN 78 MET HB- 5.00 (# 1093:20 Unique 2.89, 3.46 A)
&rst
ixpk= 1093, nxpk= 20, iat=1215, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1202,1203,
&end
#
# 75 VAL HA 78 MET HB- 5.00 (# 1095:20 Unique 2.54, 2.93 A)
&rst
ixpk= 1095, nxpk= 20, iat=1153, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1202,1203,
&end
#
# 54 GLU HA 54 GLU HB- 3.00 (# 1097:20 Unique 2.48, 2.75 A)
&rst
ixpk= 1097, nxpk= 20, iat= 850, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 852, 853,
&end
#
# 55 PRO HD- 54 GLU HB- 3.00 (# 1098:20 Unique 2.42, 3.78 A)
&rst
ixpk= 1098, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 864, 865,
igr2= 852, 853,
&end
#
# 54 GLU HN 54 GLU HB- 4.00 (# 1099:20 Unique 2.39, 2.99 A)
&rst
ixpk= 1099, nxpk= 20, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 852, 853,
&end
#
# 15 THR HN 54 GLU HB- 4.00 (# 1100:20 Unique 2.85, 3.73 A)
&rst
ixpk= 1100, nxpk= 20, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 852, 853,
&end
#
# 54 GLU HA 54 GLU HB+ 3.00 (# 1101:20 Unique 2.48, 2.75 A)
&rst
ixpk= 1101, nxpk= 20, iat= 850, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 852, 853,
&end
#
# 55 PRO HD- 54 GLU HB+ 3.00 (# 1102:20 Unique 2.42, 3.78 A)
&rst
ixpk= 1102, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 864, 865,
igr2= 852, 853,
&end
#
# 54 GLU HG+ 54 GLU HB+ 3.00 (# 1103:20 Unique 2.41, 2.76 A)
&rst
ixpk= 1103, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 855, 856,
igr2= 852, 853,
&end
#
# 2 ARG HA 2 ARG HB+ 4.00 (# 1104:20 Unique 2.40, 2.44 A)
&rst
ixpk= 1104, nxpk= 20, iat= 18, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 20, 21,
&end
#
# 2 ARG HA 2 ARG HB- 4.00 (# 1105:20 Unique 2.40, 2.44 A)
&rst
ixpk= 1105, nxpk= 20, iat= 18, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 20, 21,
&end
#
# 54 GLU HG+ 54 GLU HB- 3.00 (# 1106:20 Unique 2.41, 2.76 A)
&rst
ixpk= 1106, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 855, 856,
igr2= 852, 853,
&end
#
# 120 GLN HN 120 GLN HB+ 4.00 (# 1108:20 Unique 2.77, 3.32 A)
&rst
ixpk= 1108, nxpk= 20, iat=1836, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1840,1841,
&end
#
# 120 GLN HG+ 120 GLN HB+ 3.00 (# 1110:20 Unique 2.45, 2.77 A)
&rst
ixpk= 1110, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1843,1844,
igr2=1840,1841,
&end
#
# 104 GLU HN 104 GLU HB+ 3.00 (# 1113:20 Unique 2.42, 3.02 A)
&rst
ixpk= 1113, nxpk= 20, iat=1589, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1593,1594,
&end
#
# 104 GLU HA 104 GLU HB+ 3.00 (# 1114:20 Unique 2.46, 2.75 A)
&rst
ixpk= 1114, nxpk= 20, iat=1591, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1593,1594,
&end
#
# 88 ASN HN 87 GLN HB+ 3.00 (# 1115:20 Unique 3.09, 3.48 A)
&rst
ixpk= 1115, nxpk= 20, iat=1357, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1344,1345,
&end
#
# 87 GLN HN 87 GLN HB+ 4.00 (# 1116:20 Unique 2.33, 2.95 A)
&rst
ixpk= 1116, nxpk= 20, iat=1340, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1344,1345,
&end
#
# 0 AMB 20-2:1117 0 AMB 20-1:1117 3.00 (# 1117:20 Double Ambig)
&rst
ixpk= 1117, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1342,1289,
igr2=1344,1345,1344,1345,
&end
#
# 87 GLN HG- 87 GLN HB+ 3.00 (# 1118:20 Unique 2.44, 2.77 A)
&rst
ixpk= 1118, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1347,1348,
igr2=1344,1345,
&end
#
# 0 AMB 20-2:1119 0 AMB 20-1:1119 4.00 (# 1119:20 Double Ambig)
&rst
ixpk= 1119, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1366,1367,1371,
igr2=1344,1345,1344,1345,
&end
#
# 87 GLN HE2- 87 GLN HB+ 5.00 (# 1120:20 Unique 2.39, 3.50 A)
&rst
ixpk= 1120, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1352,1353,
igr2=1344,1345,
&end
#
# 0 AMB 20-2:1121 0 AMB 20-1:1121 5.00 (# 1121:20 Double Ambig)
&rst
ixpk= 1121, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr1=1361,1362,1278,1279,
igr2=1344,1345,1344,1345,
&end
#
# 0 AMB 20-2:1122 0 AMB 20-1:1122 3.00 (# 1122:20 Double Ambig)
&rst
ixpk= 1122, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1726,1727,1726,1727,
igr2=1720,1721,1720,1721,
&end
#
# 83 LYS HN 83 LYS HD+ 5.00 (# 1123:20 Unique 4.75, 4.83 A)
&rst
ixpk= 1123, nxpk= 20, iat=1265, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1275,1276,
&end
#
# 80 ALA HA 83 LYS HD+ 5.00 (# 1124:20 Unique 3.01, 3.38 A)
&rst
ixpk= 1124, nxpk= 20, iat=1228, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1275,1276,
&end
#
# 0 AMB 20-2:1125 0 AMB 20-1:1125 4.00 (# 1125:20 Double Ambig)
&rst
ixpk= 1125, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 682, 690,1287,
igr2=1275,1276,1275,1276,
&end
#
# 83 LYS HE+ 83 LYS HD+ 3.00 (# 1126:20 Unique 2.46, 2.75 A)
&rst
ixpk= 1126, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1278,1279,
igr2=1275,1276,
&end
#
# 0 AMB 20-2:1127 0 AMB 20-1:1127 3.00 (# 1127:20 Double Ambig)
&rst
ixpk= 1127, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1272,1273,1272,1273,
igr2=1275,1276,1275,1276,
&end
#
# 39 THR MG2 83 LYS HD+ 4.00 (# 1128:20 Unique 2.45, 3.56 A)
&rst
ixpk= 1128, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 607, 608, 609,
igr2=1275,1276,
&end
#
# 47 VAL MGY 83 LYS HD+ 5.00 (# 1129:20 Unique 3.44, 5.34 A)
&rst
ixpk= 1129, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 733, 734, 735, 737, 738, 739,
igr2=1275,1276,
&end
#
# 105 PHE HD 104 GLU HB+ 4.00 (# 1130:20 Unique 3.68, 4.85 A)
&rst
ixpk= 1130, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1612,1620,
igr2=1593,1594,
&end
#
# 87 GLN HE2+ 87 GLN HB+ 4.00 (# 1131:20 Unique 2.39, 3.50 A)
&rst
ixpk= 1131, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1352,1353,
igr2=1344,1345,
&end
#
# 113 GLN HN 0 AMB 20-1:1132 6.00 (# 1132:20 Single Ambig)
&rst
ixpk= 1132, nxpk= 20, iat=1740, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1720,1721,1720,1721,
&end
#
# 112 ARG HN 0 AMB 20-1:1133 3.00 (# 1133:20 Single Ambig)
&rst
ixpk= 1133, nxpk= 20, iat=1716, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2=1720,1721,1720,1721,
&end
#
# 112 ARG HA 0 AMB 20-1:1135 3.00 (# 1135:20 Single Ambig)
&rst
ixpk= 1135, nxpk= 20, iat=1718, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2=1720,1721,1720,1721,
&end
#
# 63 ILE HN 63 ILE HG1- 4.00 (# 1136:20 Unique 2.09, 2.83 A)
&rst
ixpk= 1136, nxpk= 20, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 995, 996,
&end
#
# 63 ILE HA 63 ILE HG1- 3.00 (# 1137:20 Unique 2.82, 2.86 A)
&rst
ixpk= 1137, nxpk= 20, iat= 987, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 995, 996,
&end
#
# 63 ILE QD1 63 ILE HG1- 3.00 (# 1138:20 Unique 2.48, 2.67 A)
&rst
ixpk= 1138, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 998, 999,1000,
igr2= 995, 996,
&end
#
# 6 GLN HA 6 GLN HB- 3.00 (# 1139:20 Unique 2.42, 2.43 A)
&rst
ixpk= 1139, nxpk= 20, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 85, 86,
&end
#
# 84 GLU HN 84 GLU HB+ 4.00 (# 1140:20 Unique 2.46, 3.04 A)
&rst
ixpk= 1140, nxpk= 20, iat=1287, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1291,1292,
&end
#
# 0 AMB 20-2:1141 0 AMB 20-1:1141 6.00 (# 1141:20 Double Ambig)
&rst
ixpk= 1141, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 577, 581, 538, 539,
igr2=1291,1292,1291,1292,
&end
#
# 85 LEU MDY 84 GLU HB+ 6.00 (# 1142:20 Unique 2.89, 4.99 A)
&rst
ixpk= 1142, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1311,1312,1313,1315,1316,1317,
igr2=1291,1292,
&end
#
# 113 GLN HN 113 GLN HB+ 4.00 (# 1143:20 Preassigned 2.43, 3.02 A)
&rst
ixpk= 1143, nxpk= 20, iat=1740, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1744,1745,
&end
#
# 3 GLN HA 3 GLN HB+ 3.00 (# 1144:20 Unique 2.50, 2.77 A)
&rst
ixpk= 1144, nxpk= 20, iat= 42, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 44, 45,
&end
#
# 113 GLN HA 113 GLN HB+ 3.00 (# 1145:20 Unique 2.51, 2.76 A)
&rst
ixpk= 1145, nxpk= 20, iat=1742, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1744,1745,
&end
#
# 0 AMB 20-2:1147 0 AMB 20-1:1147 3.00 (# 1147:20 Double Ambig)
&rst
ixpk= 1147, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 47, 48,1747,1748,
igr2= 44, 45,1744,1745,
&end
#
# 4 THR MG2 3 GLN HB+ 6.00 (# 1149:20 Unique 4.07, 5.57 A)
&rst
ixpk= 1149, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 63, 64, 65,
igr2= 44, 45,
&end
#
# 0 AMB 20-2:1151 84 GLU HB- 5.00 (# 1151:20 Single Ambig)
&rst
ixpk= 1151, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 577, 581, 538, 539,
igr2=1291,1292,
&end
#
# 85 LEU HN 84 GLU HB- 4.00 (# 1152:20 Unique 2.71, 3.15 A)
&rst
ixpk= 1152, nxpk= 20, iat=1302, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1291,1292,
&end
#
# 84 GLU HN 84 GLU HB- 4.00 (# 1153:20 Unique 2.46, 3.04 A)
&rst
ixpk= 1153, nxpk= 20, iat=1287, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1291,1292,
&end
#
# 84 GLU HA 84 GLU HB- 3.00 (# 1154:20 Unique 2.50, 2.77 A)
&rst
ixpk= 1154, nxpk= 20, iat=1289, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1291,1292,
&end
#
# 3 GLN HA 3 GLN HB- 3.00 (# 1155:20 Unique 2.50, 2.77 A)
&rst
ixpk= 1155, nxpk= 20, iat= 42, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 44, 45,
&end
#
# 47 VAL HA 50 LYS HD+ 5.00 (# 1156:20 Unique 2.63, 3.24 A)
&rst
ixpk= 1156, nxpk= 20, iat= 729, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 780, 781,
&end
#
# 50 LYS HE+ 50 LYS HD+ 3.00 (# 1157:20 Unique 2.45, 2.76 A)
&rst
ixpk= 1157, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 783, 784,
igr2= 780, 781,
&end
#
# 51 TYR HE 0 AMB 20-1:1158 4.00 (# 1158:20 Single Ambig)
&rst
ixpk= 1158, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 802, 807,
igr2= 780, 781, 780, 781,
&end
#
# 50 LYS HG- 50 LYS HD+ 3.00 (# 1159:20 Unique 2.43, 2.61 A)
&rst
ixpk= 1159, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 777, 778,
igr2= 780, 781,
&end
#
# 50 LYS HG+ 50 LYS HD- 3.00 (# 1160:20 Unique 2.43, 2.61 A)
&rst
ixpk= 1160, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 777, 778,
igr2= 780, 781,
&end
#
# 71 THR HN 70 GLN HB+ 4.00 (# 1161:20 Unique 2.77, 3.13 A)
&rst
ixpk= 1161, nxpk= 20, iat=1101, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1088,1089,
&end
#
# 67 LEU HA 70 GLN HB+ 4.00 (# 1162:20 Unique 2.82, 3.64 A)
&rst
ixpk= 1162, nxpk= 20, iat=1046, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1088,1089,
&end
#
# 0 AMB 20-2:1163 0 AMB 20-1:1163 4.00 (# 1163:20 Double Ambig)
&rst
ixpk= 1163, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1=1107,1108,1109,1078,1079,1080,
igr2=1088,1089,1088,1089,
&end
#
# 0 AMB 20-2:1164 0 AMB 20-1:1164 4.00 (# 1164:20 Double Ambig)
&rst
ixpk= 1164, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1= 403, 404, 405,1053,1054,1055,1057,1058,1059,
igr2=1088,1089,1088,1089,
&end
#
# 70 GLN HN 70 GLN HB+ 3.00 (# 1165:20 Unique 2.27, 2.91 A)
&rst
ixpk= 1165, nxpk= 20, iat=1084, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1088,1089,
&end
#
# 70 GLN HA 70 GLN HB+ 3.00 (# 1166:20 Unique 2.58, 2.80 A)
&rst
ixpk= 1166, nxpk= 20, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1088,1089,
&end
#
# 0 AMB 20-2:1167 0 AMB 20-1:1167 3.00 (# 1167:20 Double Ambig)
&rst
ixpk= 1167, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1294,1295,1091,1092,
igr2=1291,1292,1088,1089,
&end
#
# 0 AMB 20-2:1168 0 AMB 20-1:1168 4.00 (# 1168:20 Double Ambig)
&rst
ixpk= 1168, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.04, r4= 8.54,
igr1= 400, 401,1053,1054,1055,1057,1058,1059, 396, 397,
398,
igr2=1088,1089,1088,1089,1088,1089,
&end
#
# 70 GLN HA 70 GLN HB- 3.00 (# 1169:20 Unique 2.58, 2.80 A)
&rst
ixpk= 1169, nxpk= 20, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1088,1089,
&end
#
# 0 AMB 20-2:1170 70 GLN HB- 4.00 (# 1170:20 Single Ambig)
&rst
ixpk= 1170, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 403, 404, 405,1053,1054,1055,1057,1058,1059,
igr2=1088,1089,
&end
#
# 70 GLN HN 70 GLN HB- 3.00 (# 1171:20 Unique 2.27, 2.91 A)
&rst
ixpk= 1171, nxpk= 20, iat=1084, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1088,1089,
&end
#
# 71 THR HN 70 GLN HB- 4.00 (# 1172:20 Unique 2.77, 3.13 A)
&rst
ixpk= 1172, nxpk= 20, iat=1101, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1088,1089,
&end
#
# 67 LEU HA 70 GLN HB- 4.00 (# 1173:20 Unique 2.82, 3.64 A)
&rst
ixpk= 1173, nxpk= 20, iat=1046, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1088,1089,
&end
#
# 0 AMB 20-2:1174 70 GLN HB- 3.00 (# 1174:20 Single Ambig)
&rst
ixpk= 1174, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1107,1108,1109,1078,1079,1080,
igr2=1088,1089,
&end
#
# 32 TRP HZ2 95 ILE HG1+ 4.00 (# 1175:20 Unique 2.55, 2.80 A)
&rst
ixpk= 1175, nxpk= 20, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1464,1465,
&end
#
# 95 ILE HA 95 ILE HG1+ 5.00 (# 1176:20 Unique 2.53, 2.74 A)
&rst
ixpk= 1176, nxpk= 20, iat=1456, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1464,1465,
&end
#
# 95 ILE QD1 95 ILE HG1+ 3.00 (# 1177:20 Unique 2.48, 2.67 A)
&rst
ixpk= 1177, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1467,1468,1469,
igr2=1464,1465,
&end
#
# 95 ILE QG2 95 ILE HG1+ 4.00 (# 1178:20 Unique 2.49, 3.48 A)
&rst
ixpk= 1178, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1460,1461,1462,
igr2=1464,1465,
&end
#
# 36 ARG HA 36 ARG HB+ 3.00 (# 1179:20 Unique 2.61, 2.81 A)
&rst
ixpk= 1179, nxpk= 20, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 547, 548,
&end
#
# 36 ARG HD+ 36 ARG HB+ 4.00 (# 1180:20 Unique 2.55, 3.12 A)
&rst
ixpk= 1180, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 553, 554,
igr2= 547, 548,
&end
#
# 36 ARG HG+ 36 ARG HB+ 3.00 (# 1181:20 Unique 2.26, 2.67 A)
&rst
ixpk= 1181, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 550, 551,
igr2= 547, 548,
&end
#
# 36 ARG HA 36 ARG HB- 3.00 (# 1182:20 Unique 2.61, 2.81 A)
&rst
ixpk= 1182, nxpk= 20, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 547, 548,
&end
#
# 36 ARG HD+ 36 ARG HB- 3.00 (# 1183:20 Unique 2.55, 3.12 A)
&rst
ixpk= 1183, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 553, 554,
igr2= 547, 548,
&end
#
# 22 LEU HN 21 TRP HB+ 5.00 (# 1184:20 Unique 2.84, 3.51 A)
&rst
ixpk= 1184, nxpk= 20, iat= 314, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 294, 295,
&end
#
# 21 TRP HN 21 TRP HB+ 4.00 (# 1185:20 Unique 2.27, 2.47 A)
&rst
ixpk= 1185, nxpk= 20, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 294, 295,
&end
#
# 21 TRP HE3 21 TRP HB+ 4.00 (# 1186:20 Unique 2.53, 3.32 A)
&rst
ixpk= 1186, nxpk= 20, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 294, 295,
&end
#
# 18 VAL HA 21 TRP HB+ 4.00 (# 1187:20 Unique 2.33, 2.98 A)
&rst
ixpk= 1187, nxpk= 20, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 294, 295,
&end
#
# 21 TRP HA 21 TRP HB+ 4.00 (# 1188:20 Unique 2.38, 2.71 A)
&rst
ixpk= 1188, nxpk= 20, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 294, 295,
&end
#
# 0 AMB 20-2:1189 0 AMB 20-1:1189 5.00 (# 1189:20 Double Ambig)
&rst
ixpk= 1189, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 284, 285, 286, 358, 359, 360,
igr2= 294, 295, 294, 295,
&end
#
# 82 LEU MDX 21 TRP HB+ 6.00 (# 1190:20 Preassigned 5.96, 8.62 A)
&rst
ixpk= 1190, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1255,1256,1257,1259,1260,1261,
igr2= 294, 295,
&end
#
# 22 LEU HN 21 TRP HB- 5.00 (# 1191:20 Unique 2.84, 3.51 A)
&rst
ixpk= 1191, nxpk= 20, iat= 314, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 294, 295,
&end
#
# 21 TRP HN 21 TRP HB- 4.00 (# 1192:20 Unique 2.27, 2.47 A)
&rst
ixpk= 1192, nxpk= 20, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 294, 295,
&end
#
# 21 TRP HD1 21 TRP HB- 5.00 (# 1193:20 Unique 2.59, 3.16 A)
&rst
ixpk= 1193, nxpk= 20, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 294, 295,
&end
#
# 20 ALA MB 21 TRP HB- 4.00 (# 1194:20 Unique 4.29, 5.32 A)
&rst
ixpk= 1194, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 284, 285, 286,
igr2= 294, 295,
&end
#
# 21 TRP HD1 21 TRP HB+ 5.00 (# 1195:20 Unique 2.59, 3.16 A)
&rst
ixpk= 1195, nxpk= 20, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 294, 295,
&end
#
# 82 LEU MDX 21 TRP HB- 6.00 (# 1196:20 Preassigned 5.96, 8.62 A)
&rst
ixpk= 1196, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1255,1256,1257,1259,1260,1261,
igr2= 294, 295,
&end
#
# 32 TRP HD1 32 TRP HB+ 4.00 (# 1198:20 Unique 2.44, 3.04 A)
&rst
ixpk= 1198, nxpk= 20, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 470, 471,
&end
#
# 32 TRP HN 32 TRP HB+ 4.00 (# 1199:20 Unique 3.16, 3.58 A)
&rst
ixpk= 1199, nxpk= 20, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 470, 471,
&end
#
# 32 TRP HA 32 TRP HB+ 3.00 (# 1200:20 Unique 2.41, 2.48 A)
&rst
ixpk= 1200, nxpk= 20, iat= 468, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 470, 471,
&end
#
# 32 TRP HD1 32 TRP HB- 4.00 (# 1201:20 Unique 2.44, 3.04 A)
&rst
ixpk= 1201, nxpk= 20, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 470, 471,
&end
#
# 32 TRP HN 32 TRP HB- 4.00 (# 1202:20 Unique 3.16, 3.58 A)
&rst
ixpk= 1202, nxpk= 20, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 470, 471,
&end
#
# 32 TRP HA 32 TRP HB- 3.00 (# 1203:20 Unique 2.41, 2.48 A)
&rst
ixpk= 1203, nxpk= 20, iat= 468, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 470, 471,
&end
#
# 107 PRO HD+ 107 PRO HG- 4.00 (# 1205:20 Unique 2.36, 2.64 A)
&rst
ixpk= 1205, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1639,1640,
igr2=1642,1643,
&end
#
# 107 PRO HB- 107 PRO HG- 3.00 (# 1206:20 Preassigned 2.38, 2.64 A)
&rst
ixpk= 1206, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1645,1646,
igr2=1642,1643,
&end
#
# 63 ILE QG2 107 PRO HG- 3.00 (# 1207:20 Preassigned 2.12, 3.85 A)
&rst
ixpk= 1207, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 991, 992, 993,
igr2=1642,1643,
&end
#
# 107 PRO HD+ 107 PRO HG+ 4.00 (# 1209:20 Unique 2.36, 2.64 A)
&rst
ixpk= 1209, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1639,1640,
igr2=1642,1643,
&end
#
# 63 ILE QG2 107 PRO HG+ 3.00 (# 1210:20 Preassigned 2.12, 3.85 A)
&rst
ixpk= 1210, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 991, 992, 993,
igr2=1642,1643,
&end
#
# 107 PRO HA 107 PRO HG+ 4.00 (# 1212:20 Preassigned 3.01, 3.48 A)
&rst
ixpk= 1212, nxpk= 20, iat=1648, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1642,1643,
&end
#
# 114 CYS HN 114 CYS HB+ 5.00 (# 1213:20 Unique 2.57, 3.11 A)
&rst
ixpk= 1213, nxpk= 20, iat=1757, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1761,1762,
&end
#
# 114 CYS HA 114 CYS HB+ 3.00 (# 1215:20 Unique 2.49, 2.78 A)
&rst
ixpk= 1215, nxpk= 20, iat=1759, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1761,1762,
&end
#
# 114 CYS HN 114 CYS HB- 5.00 (# 1219:20 Unique 2.57, 3.11 A)
&rst
ixpk= 1219, nxpk= 20, iat=1757, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1761,1762,
&end
#
# 114 CYS HA 114 CYS HB- 3.00 (# 1221:20 Unique 2.49, 2.78 A)
&rst
ixpk= 1221, nxpk= 20, iat=1759, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1761,1762,
&end
#
# 66 PRO HD- 66 PRO HG+ 4.00 (# 1225:20 Unique 2.39, 2.65 A)
&rst
ixpk= 1225, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1031,1032,
igr2=1034,1035,
&end
#
# 66 PRO HB- 66 PRO HG+ 3.00 (# 1226:20 Unique 2.37, 2.64 A)
&rst
ixpk= 1226, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1037,1038,
igr2=1034,1035,
&end
#
# 66 PRO HB- 66 PRO HG- 4.00 (# 1227:20 Unique 2.37, 2.64 A)
&rst
ixpk= 1227, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1037,1038,
igr2=1034,1035,
&end
#
# 66 PRO HD- 66 PRO HG- 4.00 (# 1228:20 Unique 2.39, 2.65 A)
&rst
ixpk= 1228, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1031,1032,
igr2=1034,1035,
&end
#
# 61 VAL MGX 58 GLN HB- 6.00 (# 1229:20 Preassigned 5.02, 6.34 A)
&rst
ixpk= 1229, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 963, 964, 965, 967, 968, 969,
igr2= 914, 915,
&end
#
# 58 GLN HN 58 GLN HB+ 5.00 (# 1230:20 Unique 2.43, 2.44 A)
&rst
ixpk= 1230, nxpk= 20, iat= 910, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 914, 915,
&end
#
# 59 ASP HN 58 GLN HB+ 5.00 (# 1231:20 Unique 2.84, 3.47 A)
&rst
ixpk= 1231, nxpk= 20, iat= 927, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 914, 915,
&end
#
# 0 AMB 20-2:1232 0 AMB 20-1:1232 3.00 (# 1232:20 Double Ambig)
&rst
ixpk= 1232, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 864, 865, 912,
igr2= 867, 868, 914, 915,
&end
#
# 0 AMB 20-2:1233 0 AMB 20-1:1233 4.00 (# 1233:20 Double Ambig)
&rst
ixpk= 1233, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 873, 850,
igr2= 867, 868, 867, 868,
&end
#
# 0 AMB 20-2:1234 0 AMB 20-1:1234 5.00 (# 1234:20 Double Ambig)
&rst
ixpk= 1234, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr1= 760, 761, 698, 699,
igr2= 867, 868, 867, 868,
&end
#
# 57 THR HA 0 AMB 20-1:1236 5.00 (# 1236:20 Single Ambig)
&rst
ixpk= 1236, nxpk= 20, iat= 898, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 914, 915, 867, 868,
&end
#
# 58 GLN HN 58 GLN HB- 5.00 (# 1238:20 Unique 2.43, 2.44 A)
&rst
ixpk= 1238, nxpk= 20, iat= 910, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 914, 915,
&end
#
# 0 AMB 20-2:1239 0 AMB 20-1:1239 4.00 (# 1239:20 Double Ambig)
&rst
ixpk= 1239, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 873, 929, 850,
igr2= 867, 868, 914, 915,
&end
#
# 0 AMB 20-2:1240 0 AMB 20-1:1240 3.00 (# 1240:20 Double Ambig)
&rst
ixpk= 1240, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 864, 865, 912,
igr2= 867, 868, 914, 915,
&end
#
# 49 MET HG- 55 PRO HG- 5.00 (# 1241:20 Unique 4.83, 5.55 A)
&rst
ixpk= 1241, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 760, 761,
igr2= 867, 868,
&end
#
# 76 LEU HN 76 LEU HG 3.00 (# 1242:20 Unique 3.61, 3.61 A)
&rst
ixpk= 1242, nxpk= 20, iat=1167,1174, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 76 LEU HA 76 LEU HG 4.00 (# 1243:20 Unique 3.77, 3.77 A)
&rst
ixpk= 1243, nxpk= 20, iat=1169,1174, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:1244 0 AMB 20-1:1244 3.00 (# 1244:20 Double Ambig)
&rst
ixpk= 1244, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=1176,1177,1178,1180,1181,1182,1253,
igr2=1174, 268,
&end
#
# 44 PHE HE 82 LEU MDY 5.00 (# 1245:20 Unique 2.16, 5.52 A)
&rst
ixpk= 1245, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 684, 688,
igr2=1255,1256,1257,1259,1260,1261,
&end
#
# 0 AMB 20-2:1246 82 LEU MDY 4.00 (# 1246:20 Single Ambig)
&rst
ixpk= 1246, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1328,1250,1251,
igr2=1255,1256,1257,1259,1260,1261,
&end
#
# 82 LEU HG 82 LEU MDY 3.00 (# 1247:20 Unique 2.37, 2.64 A)
&rst
ixpk= 1247, nxpk= 20, iat=1253, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1255,1256,1257,1259,1260,1261,
&end
#
# 0 AMB 20-2:1248 82 LEU MDY 5.00 (# 1248:20 Single Ambig)
&rst
ixpk= 1248, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1321,1246,
igr2=1255,1256,1257,1259,1260,1261,
&end
#
# 19 LEU HN 19 LEU HG 4.00 (# 1249:20 Unique 2.30, 2.30 A)
&rst
ixpk= 1249, nxpk= 20, iat= 261, 268, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 76 LEU MDY 76 LEU HG 3.00 (# 1251:20 Unique 2.33, 2.61 A)
&rst
ixpk= 1251, nxpk= 20, iat= -1,1174, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1176,1177,1178,1180,1181,1182,
&end
#
# 112 ARG HN 112 ARG HG+ 4.00 (# 1252:20 Unique 2.66, 3.21 A)
&rst
ixpk= 1252, nxpk= 20, iat=1716, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1723,1724,
&end
#
# 112 ARG HA 112 ARG HG+ 4.00 (# 1253:20 Unique 2.32, 2.60 A)
&rst
ixpk= 1253, nxpk= 20, iat=1718, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1723,1724,
&end
#
# 0 AMB 20-2:1254 0 AMB 20-1:1254 3.00 (# 1254:20 Double Ambig)
&rst
ixpk= 1254, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1726,1727, 26, 27,
igr2=1723,1724, 23, 24,
&end
#
# 112 ARG HN 112 ARG HG- 5.00 (# 1255:20 Unique 2.66, 3.21 A)
&rst
ixpk= 1255, nxpk= 20, iat=1716, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1723,1724,
&end
#
# 112 ARG HA 112 ARG HG- 4.00 (# 1256:20 Unique 2.32, 2.60 A)
&rst
ixpk= 1256, nxpk= 20, iat=1718, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1723,1724,
&end
#
# 0 AMB 20-2:1257 0 AMB 20-1:1257 3.00 (# 1257:20 Double Ambig)
&rst
ixpk= 1257, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1726,1727, 26, 27,
igr2=1723,1724, 23, 24,
&end
#
# 0 AMB 20-2:1258 0 AMB 20-1:1258 3.00 (# 1258:20 Double Ambig)
&rst
ixpk= 1258, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1720,1721,1720,1721, 20, 21,
igr2=1723,1724, 23, 24,
&end
#
# 21 TRP HZ3 85 LEU MDX 5.00 (# 1259:20 Preassigned 5.07, 6.14 A)
&rst
ixpk= 1259, nxpk= 20, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1311,1312,1313,1315,1316,1317,
&end
#
# 41 LEU HA 41 LEU HG 4.00 (# 1260:20 Unique 2.32, 2.32 A)
&rst
ixpk= 1260, nxpk= 20, iat= 631, 636, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 2 ARG HA 2 ARG HG- 5.00 (# 1261:20 Unique 3.77, 3.80 A)
&rst
ixpk= 1261, nxpk= 20, iat= 18, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 23, 24,
&end
#
# 56 LEU HN 56 LEU MDY 5.00 (# 1262:20 Unique 4.30, 5.02 A)
&rst
ixpk= 1262, nxpk= 20, iat= 877, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 56 LEU HA 56 LEU MDY 5.00 (# 1263:20 Unique 2.12, 3.80 A)
&rst
ixpk= 1263, nxpk= 20, iat= 879, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 60 HIS HB+ 56 LEU MDY 5.00 (# 1264:20 Unique 2.12, 3.88 A)
&rst
ixpk= 1264, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 943, 944,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 43 ASP HA 46 LEU HG 4.00 (# 1266:20 Unique 4.05, 4.05 A)
&rst
ixpk= 1266, nxpk= 20, iat= 664, 715, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 60 HIS HB- 56 LEU MDY 6.00 (# 1267:20 Unique 2.12, 3.88 A)
&rst
ixpk= 1267, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 943, 944,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 56 LEU HG 56 LEU MDY 3.00 (# 1268:20 Unique 2.45, 2.66 A)
&rst
ixpk= 1268, nxpk= 20, iat= 884, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 46 LEU MDX 46 LEU HG 3.00 (# 1270:20 Unique 2.45, 2.66 A)
&rst
ixpk= 1270, nxpk= 20, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 717, 718, 719, 721, 722, 723,
&end
#
# 101 LEU HN 101 LEU HG 4.00 (# 1271:20 Unique 2.07, 2.07 A)
&rst
ixpk= 1271, nxpk= 20, iat=1543,1550, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 100 ILE HA 101 LEU HG 5.00 (# 1272:20 Unique 3.68, 3.68 A)
&rst
ixpk= 1272, nxpk= 20, iat=1526,1550, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 85 LEU HB- 85 LEU MDX 4.00 (# 1273:20 Unique 2.61, 3.58 A)
&rst
ixpk= 1273, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1306,1307,
igr2=1311,1312,1313,1315,1316,1317,
&end
#
# 41 LEU MDY 41 LEU HG 3.00 (# 1274:20 Unique 2.44, 2.66 A)
&rst
ixpk= 1274, nxpk= 20, iat= -1, 636, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 638, 639, 640, 642, 643, 644,
&end
#
# 0 AMB 20-2:1275 41 LEU HG 5.00 (# 1275:20 Single Ambig)
&rst
ixpk= 1275, nxpk= 20, iat= -1, 636, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 629, 896,
&end
#
# 45 ASN HD2+ 41 LEU HG 5.00 (# 1276:20 Unique 4.22, 4.83 A)
&rst
ixpk= 1276, nxpk= 20, iat= -1, 636, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 703, 704,
&end
#
# 0 AMB 20-2:1277 41 LEU HG 5.00 (# 1277:20 Single Ambig)
&rst
ixpk= 1277, nxpk= 20, iat= -1, 636, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 703, 704, 957,
&end
#
# 14 ILE HA 14 ILE HG1- 4.00 (# 1278:20 Unique 2.55, 2.83 A)
&rst
ixpk= 1278, nxpk= 20, iat= 181, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 189, 190,
&end
#
# 14 ILE HB 14 ILE HG1- 3.00 (# 1280:20 Unique 2.45, 2.74 A)
&rst
ixpk= 1280, nxpk= 20, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 189, 190,
&end
#
# 14 ILE QD1 14 ILE HG1- 3.00 (# 1281:20 Unique 2.48, 2.67 A)
&rst
ixpk= 1281, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 192, 193, 194,
igr2= 189, 190,
&end
#
# 46 LEU HN 46 LEU HG 3.00 (# 1283:20 Unique 2.56, 2.56 A)
&rst
ixpk= 1283, nxpk= 20, iat= 708, 715, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:1284 46 LEU HG 4.00 (# 1284:20 Single Ambig)
&rst
ixpk= 1284, nxpk= 20, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 657, 658, 727,
&end
#
# 46 LEU HB- 46 LEU HG 3.00 (# 1285:20 Unique 2.57, 2.81 A)
&rst
ixpk= 1285, nxpk= 20, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 712, 713,
&end
#
# 0 AMB 20-2:1286 85 LEU MDX 5.00 (# 1286:20 Single Ambig)
&rst
ixpk= 1286, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1246,1321,
igr2=1311,1312,1313,1315,1316,1317,
&end
#
# 85 LEU HN 85 LEU MDX 4.00 (# 1287:20 Unique 2.26, 3.67 A)
&rst
ixpk= 1287, nxpk= 20, iat=1302, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1311,1312,1313,1315,1316,1317,
&end
#
# 33 PHE HB+ 85 LEU MDX 5.00 (# 1288:20 Unique 2.28, 4.19 A)
&rst
ixpk= 1288, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 494, 495,
igr2=1311,1312,1313,1315,1316,1317,
&end
#
# 85 LEU HG 85 LEU MDX 3.00 (# 1289:20 Unique 2.31, 2.61 A)
&rst
ixpk= 1289, nxpk= 20, iat=1309, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1311,1312,1313,1315,1316,1317,
&end
#
# 14 ILE HN 14 ILE HG1- 4.00 (# 1290:20 Unique 2.16, 2.78 A)
&rst
ixpk= 1290, nxpk= 20, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 189, 190,
&end
#
# 22 LEU HN 22 LEU HG 5.00 (# 1293:20 Unique 2.69, 2.69 A)
&rst
ixpk= 1293, nxpk= 20, iat= 314, 321, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 82 LEU HB- 22 LEU HG 5.00 (# 1294:20 Preassigned 4.39, 5.20 A)
&rst
ixpk= 1294, nxpk= 20, iat= -1, 321, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1250,1251,
&end
#
# 23 TYR HN 22 LEU HG 6.00 (# 1295:20 Preassigned 4.74, 4.74 A)
&rst
ixpk= 1295, nxpk= 20, iat= 333, 321, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:1296 22 LEU HG 5.00 (# 1296:20 Single Ambig)
&rst
ixpk= 1296, nxpk= 20, iat= -1, 321, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 316, 294, 295,
&end
#
# 22 LEU MDY 22 LEU HG 3.00 (# 1297:20 Unique 2.42, 2.65 A)
&rst
ixpk= 1297, nxpk= 20, iat= -1, 321, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 323, 324, 325, 327, 328, 329,
&end
#
# 22 LEU MDX 22 LEU HG 4.00 (# 1298:20 Unique 2.42, 2.65 A)
&rst
ixpk= 1298, nxpk= 20, iat= -1, 321, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 323, 324, 325, 327, 328, 329,
&end
#
# 79 CYS HN 79 CYS HB+ 4.00 (# 1299:20 Unique 2.42, 3.01 A)
&rst
ixpk= 1299, nxpk= 20, iat=1215, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1219,1220,
&end
#
# 0 AMB 20-2:1300 0 AMB 20-1:1300 5.00 (# 1300:20 Double Ambig)
&rst
ixpk= 1300, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.46, r4=12.96,
igr1= 747, 748, 749, 963, 964, 965, 967, 968, 969,1013,
1014,1015,1017,1018,1019, 733, 734, 735, 737, 738,
739,1209,1210,1211,
igr2=1219,1220,1219,1220,1219,1220,1219,1220,1219,1220,
&end
#
# 80 ALA HN 79 CYS HB+ 4.00 (# 1301:20 Unique 2.49, 2.94 A)
&rst
ixpk= 1301, nxpk= 20, iat=1226, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1219,1220,
&end
#
# 44 PHE HD 79 CYS HB+ 4.00 (# 1302:20 Unique 3.08, 4.22 A)
&rst
ixpk= 1302, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 682, 690,
igr2=1219,1220,
&end
#
# 76 LEU HA 79 CYS HB+ 3.00 (# 1303:20 Unique 2.58, 3.33 A)
&rst
ixpk= 1303, nxpk= 20, iat=1169, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1219,1220,
&end
#
# 79 CYS HA 79 CYS HB+ 4.00 (# 1304:20 Unique 2.57, 2.82 A)
&rst
ixpk= 1304, nxpk= 20, iat=1217, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1219,1220,
&end
#
# 76 LEU HB+ 79 CYS HB+ 4.00 (# 1306:20 Preassigned 4.57, 5.71 A)
&rst
ixpk= 1306, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1171,1172,
igr2=1219,1220,
&end
#
# 0 AMB 20-2:1307 0 AMB 20-1:1307 4.00 (# 1307:20 Double Ambig)
&rst
ixpk= 1307, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1=1230,1231,1232,1255,1256,1257,1259,1260,1261,
igr2=1219,1220,1219,1220,
&end
#
# 0 AMB 20-2:1308 0 AMB 20-1:1308 4.00 (# 1308:20 Double Ambig)
&rst
ixpk= 1308, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 607, 608, 609, 593, 594, 595,
igr2=1219,1220,1219,1220,
&end
#
# 79 CYS HN 79 CYS HB- 4.00 (# 1310:20 Unique 2.42, 3.01 A)
&rst
ixpk= 1310, nxpk= 20, iat=1215, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1219,1220,
&end
#
# 80 ALA HN 79 CYS HB- 5.00 (# 1311:20 Unique 2.49, 2.94 A)
&rst
ixpk= 1311, nxpk= 20, iat=1226, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1219,1220,
&end
#
# 44 PHE HD 79 CYS HB- 4.00 (# 1312:20 Unique 3.08, 4.22 A)
&rst
ixpk= 1312, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 682, 690,
igr2=1219,1220,
&end
#
# 79 CYS HA 79 CYS HB- 4.00 (# 1313:20 Unique 2.57, 2.82 A)
&rst
ixpk= 1313, nxpk= 20, iat=1217, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1219,1220,
&end
#
# 76 LEU HA 79 CYS HB- 4.00 (# 1314:20 Unique 2.58, 3.33 A)
&rst
ixpk= 1314, nxpk= 20, iat=1169, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1219,1220,
&end
#
# 0 AMB 20-2:1315 79 CYS HB- 4.00 (# 1315:20 Single Ambig)
&rst
ixpk= 1315, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1230,1231,1232,1255,1256,1257,1259,1260,1261,
igr2=1219,1220,
&end
#
# 0 AMB 20-2:1316 79 CYS HB- 4.00 (# 1316:20 Single Ambig)
&rst
ixpk= 1316, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 607, 608, 609, 593, 594, 595,
igr2=1219,1220,
&end
#
# 74 ALA HN 74 ALA MB 3.00 (# 1318:20 Unique 2.49, 2.87 A)
&rst
ixpk= 1318, nxpk= 20, iat=1141, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1145,1146,1147,
&end
#
# 0 AMB 20-2:1319 74 ALA MB 3.00 (# 1319:20 Single Ambig)
&rst
ixpk= 1319, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1151,1167,
igr2=1145,1146,1147,
&end
#
# 77 ASP HN 74 ALA MB 4.00 (# 1320:20 Unique 2.75, 3.61 A)
&rst
ixpk= 1320, nxpk= 20, iat=1186, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1145,1146,1147,
&end
#
# 73 ILE HA 74 ALA MB 5.00 (# 1321:20 Unique 4.49, 4.93 A)
&rst
ixpk= 1321, nxpk= 20, iat=1124, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1145,1146,1147,
&end
#
# 74 ALA HA 74 ALA MB 3.00 (# 1322:20 Unique 2.47, 2.66 A)
&rst
ixpk= 1322, nxpk= 20, iat=1143, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1145,1146,1147,
&end
#
# 82 LEU HN 81 ALA MB 4.00 (# 1323:20 Unique 2.41, 3.24 A)
&rst
ixpk= 1323, nxpk= 20, iat=1246, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1240,1241,1242,
&end
#
# 35 ASN HN 81 ALA MB 4.00 (# 1324:20 Unique 3.08, 3.96 A)
&rst
ixpk= 1324, nxpk= 20, iat= 529, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1240,1241,1242,
&end
#
# 35 ASN HD2+ 81 ALA MB 4.00 (# 1325:20 Unique 2.64, 3.91 A)
&rst
ixpk= 1325, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 538, 539,
igr2=1240,1241,1242,
&end
#
# 81 ALA HN 81 ALA MB 3.00 (# 1326:20 Unique 2.53, 2.89 A)
&rst
ixpk= 1326, nxpk= 20, iat=1236, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1240,1241,1242,
&end
#
# 0 AMB 20-2:1327 81 ALA MB 5.00 (# 1327:20 Single Ambig)
&rst
ixpk= 1327, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81,
igr1=1287, 684, 688, 682, 690, 341, 350,
igr2=1240,1241,1242,
&end
#
# 34 LEU HN 81 ALA MB 5.00 (# 1329:20 Unique 5.18, 5.86 A)
&rst
ixpk= 1329, nxpk= 20, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1240,1241,1242,
&end
#
# 35 ASN HD2- 81 ALA MB 5.00 (# 1330:20 Unique 2.64, 3.91 A)
&rst
ixpk= 1330, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 538, 539,
igr2=1240,1241,1242,
&end
#
# 33 PHE HE 81 ALA MB 4.00 (# 1331:20 Unique 3.05, 5.63 A)
&rst
ixpk= 1331, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 500, 504,
igr2=1240,1241,1242,
&end
#
# 81 ALA HA 81 ALA MB 3.00 (# 1332:20 Unique 2.47, 2.66 A)
&rst
ixpk= 1332, nxpk= 20, iat=1238, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1240,1241,1242,
&end
#
# 0 AMB 20-2:1333 81 ALA MB 3.00 (# 1333:20 Single Ambig)
&rst
ixpk= 1333, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 512,1248,
igr2=1240,1241,1242,
&end
#
# 33 PHE HB+ 81 ALA MB 5.00 (# 1334:20 Unique 4.37, 6.19 A)
&rst
ixpk= 1334, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 494, 495,
igr2=1240,1241,1242,
&end
#
# 0 AMB 20-2:1335 81 ALA MB 5.00 (# 1335:20 Single Ambig)
&rst
ixpk= 1335, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 514, 515,1132,1133, 449, 450,
igr2=1240,1241,1242,
&end
#
# 0 AMB 20-2:1336 81 ALA MB 4.00 (# 1336:20 Single Ambig)
&rst
ixpk= 1336, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1209,1210,1211,1253,
igr2=1240,1241,1242,
&end
#
# 0 AMB 20-2:1337 81 ALA MB 5.00 (# 1337:20 Single Ambig)
&rst
ixpk= 1337, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
igr1= 519, 520, 521, 523, 524, 525, 323, 324, 325, 327,
328, 329,
igr2=1240,1241,1242,
&end
#
# 85 LEU HG 81 ALA MB 4.00 (# 1338:20 Unique 5.59, 6.45 A)
&rst
ixpk= 1338, nxpk= 20, iat=1309, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1240,1241,1242,
&end
#
# 0 AMB 20-2:1339 81 ALA MB 6.00 (# 1339:20 Single Ambig)
&rst
ixpk= 1339, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.39, r4=10.89,
igr1=1467,1468,1469,1330,1331,1332,1334,1335,1336,
igr2=1240,1241,1242,
&end
#
# 22 LEU MDX 81 ALA MB 5.00 (# 1340:20 Unique 3.40, 5.60 A)
&rst
ixpk= 1340, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 323, 324, 325, 327, 328, 329,
igr2=1240,1241,1242,
&end
#
# 0 AMB 20-2:1341 81 ALA MB 6.00 (# 1341:20 Single Ambig)
&rst
ixpk= 1341, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1291,1292, 265, 266,
igr2=1240,1241,1242,
&end
#
# 37 PHE HB+ 80 ALA MB 4.00 (# 1342:20 Unique 2.40, 3.16 A)
&rst
ixpk= 1342, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 571, 572,
igr2=1230,1231,1232,
&end
#
# 0 AMB 20-2:1343 80 ALA MB 3.00 (# 1343:20 Single Ambig)
&rst
ixpk= 1343, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1226, 538, 539,
igr2=1230,1231,1232,
&end
#
# 81 ALA HN 80 ALA MB 4.00 (# 1344:20 Unique 2.77, 3.55 A)
&rst
ixpk= 1344, nxpk= 20, iat=1236, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1230,1231,1232,
&end
#
# 0 AMB 20-2:1345 80 ALA MB 4.00 (# 1345:20 Single Ambig)
&rst
ixpk= 1345, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 589,1188,
igr2=1230,1231,1232,
&end
#
# 80 ALA HA 80 ALA MB 3.00 (# 1346:20 Unique 2.45, 2.65 A)
&rst
ixpk= 1346, nxpk= 20, iat=1228, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1230,1231,1232,
&end
#
# 37 PHE HB- 80 ALA MB 4.00 (# 1347:20 Unique 2.40, 3.16 A)
&rst
ixpk= 1347, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 571, 572,
igr2=1230,1231,1232,
&end
#
# 39 THR MG2 80 ALA MB 3.00 (# 1348:20 Unique 2.24, 4.20 A)
&rst
ixpk= 1348, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 607, 608, 609,
igr2=1230,1231,1232,
&end
#
# 20 ALA HN 20 ALA MB 3.00 (# 1349:20 Unique 2.51, 2.88 A)
&rst
ixpk= 1349, nxpk= 20, iat= 280, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 284, 285, 286,
&end
#
# 20 ALA HA 20 ALA MB 3.00 (# 1350:20 Preassigned 2.46, 2.66 A)
&rst
ixpk= 1350, nxpk= 20, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 284, 285, 286,
&end
#
# 32 TRP HE1 90 MET ME 6.00 (# 1351:20 Unique 5.34, 6.29 A)
&rst
ixpk= 1351, nxpk= 20, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1389,1390,1391,
&end
#
# 95 ILE HN 90 MET ME 4.00 (# 1352:20 Unique 2.63, 3.30 A)
&rst
ixpk= 1352, nxpk= 20, iat=1454, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1389,1390,1391,
&end
#
# 21 TRP HH2 90 MET ME 5.00 (# 1353:20 Unique 2.89, 3.39 A)
&rst
ixpk= 1353, nxpk= 20, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1389,1390,1391,
&end
#
# 32 TRP HZ2 90 MET ME 5.00 (# 1354:20 Unique 4.46, 5.17 A)
&rst
ixpk= 1354, nxpk= 20, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1389,1390,1391,
&end
#
# 0 AMB 20-2:1355 90 MET ME 5.00 (# 1355:20 Single Ambig)
&rst
ixpk= 1355, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 481,1404,1405,
igr2=1389,1390,1391,
&end
#
# 94 THR HA 90 MET ME 4.00 (# 1356:20 Unique 2.73, 3.37 A)
&rst
ixpk= 1356, nxpk= 20, iat=1442, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1389,1390,1391,
&end
#
# 0 AMB 20-2:1357 90 MET ME 4.00 (# 1357:20 Single Ambig)
&rst
ixpk= 1357, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1512,1503,1504,
igr2=1389,1390,1391,
&end
#
# 95 ILE HA 90 MET ME 5.00 (# 1358:20 Preassigned 4.43, 5.42 A)
&rst
ixpk= 1358, nxpk= 20, iat=1456, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1389,1390,1391,
&end
#
# 94 THR HB 90 MET ME 6.00 (# 1359:20 Preassigned 4.91, 5.24 A)
&rst
ixpk= 1359, nxpk= 20, iat=1444, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1389,1390,1391,
&end
#
# 90 MET HB- 90 MET ME 4.00 (# 1360:20 Unique 3.10, 4.21 A)
&rst
ixpk= 1360, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1382,1383,
igr2=1389,1390,1391,
&end
#
# 95 ILE HG1+ 90 MET ME 4.00 (# 1361:20 Unique 2.50, 4.33 A)
&rst
ixpk= 1361, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1464,1465,
igr2=1389,1390,1391,
&end
#
# 0 AMB 20-2:1362 90 MET ME 3.00 (# 1362:20 Single Ambig)
&rst
ixpk= 1362, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=1550,1311,1312,1313,1315,1316,1317,1547,1548,
igr2=1389,1390,1391,
&end
#
# 99 THR MG2 90 MET ME 5.00 (# 1364:20 Preassigned 5.39, 6.74 A)
&rst
ixpk= 1364, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1516,1517,1518,
igr2=1389,1390,1391,
&end
#
# 85 LEU MDY 90 MET ME 5.00 (# 1365:20 Preassigned 4.65, 6.84 A)
&rst
ixpk= 1365, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1311,1312,1313,1315,1316,1317,
igr2=1389,1390,1391,
&end
#
# 95 ILE QG2 90 MET ME 5.00 (# 1366:20 Unique 4.64, 5.90 A)
&rst
ixpk= 1366, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1460,1461,1462,
igr2=1389,1390,1391,
&end
#
# 0 AMB 20-2:1367 90 MET ME 4.00 (# 1367:20 Single Ambig)
&rst
ixpk= 1367, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1545,1503,1504,
igr2=1389,1390,1391,
&end
#
# 0 AMB 20-2:1368 90 MET ME 6.00 (# 1368:20 Single Ambig)
&rst
ixpk= 1368, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1378,1510,1499,
igr2=1389,1390,1391,
&end
#
# 21 TRP HZ2 90 MET ME 6.00 (# 1369:20 Unique 4.01, 4.51 A)
&rst
ixpk= 1369, nxpk= 20, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1389,1390,1391,
&end
#
# 49 MET HN 49 MET ME 5.00 (# 1371:20 Unique 3.87, 4.40 A)
&rst
ixpk= 1371, nxpk= 20, iat= 753, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 764, 765, 766,
&end
#
# 50 LYS HN 49 MET ME 6.00 (# 1372:20 Unique 5.05, 5.88 A)
&rst
ixpk= 1372, nxpk= 20, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 764, 765, 766,
&end
#
# 0 AMB 20-2:1373 49 MET ME 5.00 (# 1373:20 Single Ambig)
&rst
ixpk= 1373, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 873, 755,
igr2= 764, 765, 766,
&end
#
# 46 LEU HA 49 MET ME 4.00 (# 1374:20 Unique 2.69, 3.04 A)
&rst
ixpk= 1374, nxpk= 20, iat= 710, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 764, 765, 766,
&end
#
# 55 PRO HD- 49 MET ME 5.00 (# 1375:20 Unique 5.49, 6.58 A)
&rst
ixpk= 1375, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 864, 865,
igr2= 764, 765, 766,
&end
#
# 0 AMB 20-2:1376 49 MET ME 3.00 (# 1376:20 Single Ambig)
&rst
ixpk= 1376, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 698, 699, 760, 761,
igr2= 764, 765, 766,
&end
#
# 0 AMB 20-2:1377 49 MET ME 5.00 (# 1377:20 Single Ambig)
&rst
ixpk= 1377, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
igr1= 717, 718, 719, 721, 722, 723, 717, 718, 719, 721,
722, 723,
igr2= 764, 765, 766,
&end
#
# 0 AMB 20-2:1379 49 MET ME 5.00 (# 1379:20 Single Ambig)
&rst
ixpk= 1379, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 712, 713, 780, 781, 780, 781,
igr2= 764, 765, 766,
&end
#
# 71 THR MG2 71 THR HB 3.00 (# 1380:20 Unique 2.48, 2.67 A)
&rst
ixpk= 1380, nxpk= 20, iat= -1,1105, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1107,1108,1109,
&end
#
# 73 ILE HG1+ 71 THR HB 6.00 (# 1381:20 Preassigned 4.05, 4.50 A)
&rst
ixpk= 1381, nxpk= 20, iat= -1,1105, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1132,1133,
&end
#
# 0 AMB 20-2:1382 71 THR HB 4.00 (# 1382:20 Single Ambig)
&rst
ixpk= 1382, nxpk= 20, iat= -1,1105, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1135,1136,1137, 380, 381, 382, 384, 385, 386,
&end
#
# 41 LEU HN 40 THR HB 4.00 (# 1383:20 Unique 3.34, 3.34 A)
&rst
ixpk= 1383, nxpk= 20, iat= 629, 619, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 40 THR HA 40 THR HB 3.00 (# 1384:20 Unique 2.92, 2.92 A)
&rst
ixpk= 1384, nxpk= 20, iat= 617, 619, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:1385 40 THR HB 4.00 (# 1385:20 Single Ambig)
&rst
ixpk= 1385, nxpk= 20, iat= -1, 619, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 633, 634, 636,1171,1172,1174,
&end
#
# 40 THR MG2 40 THR HB 3.00 (# 1386:20 Unique 2.48, 2.67 A)
&rst
ixpk= 1386, nxpk= 20, iat= -1, 619, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 621, 622, 623,
&end
#
# 76 LEU MDX 40 THR HB 6.00 (# 1387:20 Unique 5.22, 6.95 A)
&rst
ixpk= 1387, nxpk= 20, iat= -1, 619, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1176,1177,1178,1180,1181,1182,
&end
#
# 0 AMB 20-2:1388 40 THR HB 5.00 (# 1388:20 Single Ambig)
&rst
ixpk= 1388, nxpk= 20, iat= -1, 619, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 648, 674,
&end
#
# 42 ASN HB+ 40 THR HB 5.00 (# 1389:20 Unique 3.65, 4.15 A)
&rst
ixpk= 1389, nxpk= 20, iat= -1, 619, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 652, 653,
&end
#
# 57 THR HN 57 THR HB 5.00 (# 1390:20 Unique 3.92, 3.92 A)
&rst
ixpk= 1390, nxpk= 20, iat= 896, 900, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 58 GLN HN 57 THR HB 5.00 (# 1391:20 Unique 2.28, 2.28 A)
&rst
ixpk= 1391, nxpk= 20, iat= 910, 900, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 59 ASP HN 57 THR HB 4.00 (# 1392:20 Unique 2.65, 2.65 A)
&rst
ixpk= 1392, nxpk= 20, iat= 927, 900, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 57 THR HA 57 THR HB 3.00 (# 1393:20 Unique 2.45, 2.45 A)
&rst
ixpk= 1393, nxpk= 20, iat= 898, 900, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 58 GLN HB- 57 THR HB 5.00 (# 1394:20 Unique 3.77, 4.15 A)
&rst
ixpk= 1394, nxpk= 20, iat= -1, 900, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 914, 915,
&end
#
# 57 THR MG2 57 THR HB 3.00 (# 1395:20 Unique 2.47, 2.66 A)
&rst
ixpk= 1395, nxpk= 20, iat= -1, 900, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 902, 903, 904,
&end
#
# 38 THR HN 38 THR HB 4.00 (# 1396:20 Unique 2.57, 2.57 A)
&rst
ixpk= 1396, nxpk= 20, iat= 587, 591, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 38 THR HA 38 THR HB 3.00 (# 1397:20 Unique 3.01, 3.01 A)
&rst
ixpk= 1397, nxpk= 20, iat= 589, 591, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 38 THR MG2 38 THR HB 3.00 (# 1400:20 Unique 2.47, 2.66 A)
&rst
ixpk= 1400, nxpk= 20, iat= -1, 591, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 593, 594, 595,
&end
#
# 10 THR MG2 10 THR HB 3.00 (# 1401:20 Unique 2.48, 2.67 A)
&rst
ixpk= 1401, nxpk= 20, iat= -1, 129, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 131, 132, 133,
&end
#
# 0 AMB 20-2:1402 0 AMB 20-1:1402 3.00 (# 1402:20 Double Ambig)
&rst
ixpk= 1402, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1808,1809,1810, 607, 608, 609,
igr2=1806, 605,
&end
#
# 0 AMB 20-2:1403 0 AMB 20-1:1403 4.00 (# 1403:20 Double Ambig)
&rst
ixpk= 1403, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 601,1802,
igr2= 605,1806,
&end
#
# 39 THR HA 39 THR HB 3.00 (# 1404:20 Unique 2.59, 2.59 A)
&rst
ixpk= 1404, nxpk= 20, iat= 603, 605, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 80 ALA MB 39 THR HB 4.00 (# 1405:20 Unique 3.00, 3.77 A)
&rst
ixpk= 1405, nxpk= 20, iat= -1, 605, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1230,1231,1232,
&end
#
# 107 PRO HD+ 106 THR HB 4.00 (# 1408:20 Unique 2.43, 2.92 A)
&rst
ixpk= 1408, nxpk= 20, iat= -1,1628, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1639,1640,
&end
#
# 107 PRO HG- 106 THR HB 6.00 (# 1409:20 Unique 4.77, 4.99 A)
&rst
ixpk= 1409, nxpk= 20, iat= -1,1628, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1642,1643,
&end
#
# 106 THR MG2 106 THR HB 3.00 (# 1410:20 Unique 2.48, 2.67 A)
&rst
ixpk= 1410, nxpk= 20, iat= -1,1628, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1630,1631,1632,
&end
#
# 99 THR MG2 99 THR HB 3.00 (# 1411:20 Unique 2.48, 2.67 A)
&rst
ixpk= 1411, nxpk= 20, iat= -1,1514, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1516,1517,1518,
&end
#
# 94 THR MG2 99 THR HB 5.00 (# 1412:20 Unique 4.24, 5.10 A)
&rst
ixpk= 1412, nxpk= 20, iat= -1,1514, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1446,1447,1448,
&end
#
# 94 THR HA 99 THR HB 5.00 (# 1413:20 Unique 5.36, 5.36 A)
&rst
ixpk= 1413, nxpk= 20, iat=1442,1514, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 44 PHE HZ 15 THR HB 5.00 (# 1415:20 Unique 5.41, 5.41 A)
&rst
ixpk= 1415, nxpk= 20, iat= 686, 202, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 15 THR HA 15 THR HB 4.00 (# 1416:20 Unique 3.02, 3.02 A)
&rst
ixpk= 1416, nxpk= 20, iat= 200, 202, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 15 THR MG2 15 THR HB 3.00 (# 1417:20 Unique 2.48, 2.67 A)
&rst
ixpk= 1417, nxpk= 20, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 204, 205, 206,
&end
#
# 0 AMB 20-2:1418 15 THR HB 5.00 (# 1418:20 Single Ambig)
&rst
ixpk= 1418, nxpk= 20, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 270, 271, 272, 274, 275, 276, 884,
&end
#
# 56 LEU MDX 15 THR HB 5.00 (# 1419:20 Unique 3.02, 4.74 A)
&rst
ixpk= 1419, nxpk= 20, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 886, 887, 888, 890, 891, 892,
&end
#
# 77 ASP HN 75 VAL HA 5.00 (# 1420:20 Unique 4.19, 4.19 A)
&rst
ixpk= 1420, nxpk= 20, iat=1186,1153, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 20-2:1421 75 VAL HA 3.00 (# 1421:20 Single Ambig)
&rst
ixpk= 1421, nxpk= 20, iat= -1,1153, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1151,1167,
&end
#
# 23 TYR HH 75 VAL HA 4.00 (# 1422:20 Unique 1.91, 1.91 A)
&rst
ixpk= 1422, nxpk= 20, iat= 346,1153, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 78 MET HB+ 75 VAL HA 4.00 (# 1424:20 Unique 2.54, 2.93 A)
&rst
ixpk= 1424, nxpk= 20, iat= -1,1153, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1202,1203,
&end
#
# 0 AMB 20-2:1425 75 VAL HA 4.00 (# 1425:20 Single Ambig)
&rst
ixpk= 1425, nxpk= 20, iat= -1,1153, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1155,1008,1009,
&end
#
# 75 VAL MGY 75 VAL HA 3.00 (# 1426:20 Unique 2.51, 3.13 A)
&rst
ixpk= 1426, nxpk= 20, iat= -1,1153, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1157,1158,1159,1161,1162,1163,
&end
#
# 0 AMB 20-2:1427 75 VAL HA 3.00 (# 1427:20 Single Ambig)
&rst
ixpk= 1427, nxpk= 20, iat= -1,1153, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1157,1158,1159,1161,1162,1163,1013,1014,1015,1017,
1018,1019,
&end
#
# 0 AMB 20-2:1428 75 VAL HA 5.00 (# 1428:20 Single Ambig)
&rst
ixpk= 1428, nxpk= 20, iat= -1,1153, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 270, 271, 272, 274, 275, 276, 270, 271, 272, 274,
275, 276,
&end
#
# 0 AMB 20-2:1429 18 VAL HA 5.00 (# 1429:20 Single Ambig)
&rst
ixpk= 1429, nxpk= 20, iat= -1, 247, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 171, 172, 173, 323, 324, 325, 327, 328, 329, 886,
887, 888, 890, 891, 892,
&end
#
# 23 TYR HE 75 VAL HA 5.00 (# 1430:20 Unique 3.49, 4.31 A)
&rst
ixpk= 1430, nxpk= 20, iat= -1,1153, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 343, 348,
&end
#
# 0 AMB 20-2:1431 0 AMB 20-1:1431 4.00 (# 1431:20 Double Ambig)
&rst
ixpk= 1431, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1074, 261,
igr2=1040, 247,
&end
#
# 21 TRP HN 18 VAL HA 5.00 (# 1432:20 Unique 3.26, 3.26 A)
&rst
ixpk= 1432, nxpk= 20, iat= 290, 247, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 VAL HN 18 VAL HA 4.00 (# 1433:20 Unique 2.86, 2.86 A)
&rst
ixpk= 1433, nxpk= 20, iat= 245, 247, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 21 TRP HB+ 18 VAL HA 4.00 (# 1434:20 Unique 2.33, 2.98 A)
&rst
ixpk= 1434, nxpk= 20, iat= -1, 247, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 294, 295,
&end
#
# 0 AMB 20-2:1435 0 AMB 20-1:1435 4.00 (# 1435:20 Double Ambig)
&rst
ixpk= 1435, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 294, 295,1031,1032,
igr2= 247,1040,
&end
#
# 0 AMB 20-2:1436 0 AMB 20-1:1436 4.00 (# 1436:20 Double Ambig)
&rst
ixpk= 1436, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 249,1091,1092,
igr2= 247,1040,
&end
#
# 18 VAL MGY 18 VAL HA 3.00 (# 1437:20 Unique 2.37, 3.14 A)
&rst
ixpk= 1437, nxpk= 20, iat= -1, 247, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 251, 252, 253, 255, 256, 257,
&end
#
# 18 VAL MGX 18 VAL HA 3.00 (# 1438:20 Unique 2.37, 3.14 A)
&rst
ixpk= 1438, nxpk= 20, iat= -1, 247, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 251, 252, 253, 255, 256, 257,
&end
#
# 66 PRO HB+ 66 PRO HA 3.00 (# 1439:20 Unique 2.32, 2.66 A)
&rst
ixpk= 1439, nxpk= 20, iat= -1,1040, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1037,1038,
&end
#
# 66 PRO HG+ 66 PRO HA 4.00 (# 1440:20 Unique 2.98, 3.46 A)
&rst
ixpk= 1440, nxpk= 20, iat= -1,1040, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1034,1035,
&end
#
# 0 AMB 20-2:1441 0 AMB 20-1:1441 4.00 (# 1441:20 Double Ambig)
&rst
ixpk= 1441, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1034,1035,1581,1582,
igr2=1040, 247,
&end
#
# 66 PRO HB- 66 PRO HA 3.00 (# 1442:20 Unique 2.32, 2.66 A)
&rst
ixpk= 1442, nxpk= 20, iat= -1,1040, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1037,1038,
&end
#
# 69 ALA MB 66 PRO HA 3.00 (# 1443:20 Unique 2.63, 3.43 A)
&rst
ixpk= 1443, nxpk= 20, iat= -1,1040, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1078,1079,1080,
&end
#
# 107 PRO HB+ 107 PRO HA 3.00 (# 1446:20 Preassigned 2.32, 2.66 A)
&rst
ixpk= 1446, nxpk= 20, iat= -1,1648, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1645,1646,
&end
#
# 107 PRO HG- 107 PRO HA 4.00 (# 1447:20 Unique 3.01, 3.48 A)
&rst
ixpk= 1447, nxpk= 20, iat= -1,1648, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1642,1643,
&end
#
# 107 PRO HB- 107 PRO HA 3.00 (# 1448:20 Preassigned 2.32, 2.66 A)
&rst
ixpk= 1448, nxpk= 20, iat= -1,1648, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1645,1646,
&end
#
# 0 AMB 20-2:1450 0 AMB 20-1:1450 4.00 (# 1450:20 Double Ambig)
&rst
ixpk= 1450, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1499,1510,
igr2=1503,1504,1503,1504,
&end
#
# 21 TRP HZ2 98 SER HB+ 4.00 (# 1451:20 Unique 2.36, 3.07 A)
&rst
ixpk= 1451, nxpk= 20, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1503,1504,
&end
#
# 98 SER HA 98 SER HB+ 4.00 (# 1452:20 Unique 2.49, 2.77 A)
&rst
ixpk= 1452, nxpk= 20, iat=1501, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1503,1504,
&end
#
# 0 AMB 20-2:1453 0 AMB 20-1:1453 5.00 (# 1453:20 Double Ambig)
&rst
ixpk= 1453, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1569,1570,1458,1528,
igr2=1503,1504,1503,1504,1503,1504,
&end
#
# 21 TRP HZ2 98 SER HB- 4.00 (# 1454:20 Unique 2.36, 3.07 A)
&rst
ixpk= 1454, nxpk= 20, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1503,1504,
&end
#
# 98 SER HA 98 SER HB- 3.00 (# 1455:20 Unique 2.49, 2.77 A)
&rst
ixpk= 1455, nxpk= 20, iat=1501, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1503,1504,
&end
#
# 21 TRP HZ3 98 SER HB+ 6.00 (# 1456:20 Preassigned 6.46, 6.89 A)
&rst
ixpk= 1456, nxpk= 20, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1503,1504,
&end
#
# 0 AMB 20-2:1457 23 TYR HA 3.00 (# 1457:20 Single Ambig)
&rst
ixpk= 1457, nxpk= 20, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1209,1210,1211, 380, 381, 382, 384, 385, 386,
&end
#
# 0 AMB 20-2:1458 23 TYR HA 5.00 (# 1458:20 Single Ambig)
&rst
ixpk= 1458, nxpk= 20, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 390, 364,
&end
#
# 26 VAL HN 23 TYR HA 5.00 (# 1459:20 Unique 3.28, 3.28 A)
&rst
ixpk= 1459, nxpk= 20, iat= 374, 335, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 23 TYR HD 23 TYR HA 3.00 (# 1460:20 Unique 2.54, 3.40 A)
&rst
ixpk= 1460, nxpk= 20, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 341, 350,
&end
#
# 23 TYR HB+ 23 TYR HA 4.00 (# 1461:20 Unique 2.51, 2.77 A)
&rst
ixpk= 1461, nxpk= 20, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 337, 338,
&end
#
# 26 VAL HB 23 TYR HA 4.00 (# 1462:20 Unique 2.48, 2.48 A)
&rst
ixpk= 1462, nxpk= 20, iat= 378, 335, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 13 THR HB 13 THR HA 4.00 (# 1464:20 Unique 3.04, 3.04 A)
&rst
ixpk= 1464, nxpk= 20, iat= 169, 167, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 14 ILE HN 13 THR HA 3.00 (# 1465:20 Unique 2.22, 2.22 A)
&rst
ixpk= 1465, nxpk= 20, iat= 179, 167, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 13 THR HN 13 THR HA 4.00 (# 1466:20 Unique 2.88, 2.88 A)
&rst
ixpk= 1466, nxpk= 20, iat= 165, 167, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 53 TYR HA 13 THR HA 5.00 (# 1467:20 Unique 4.60, 4.60 A)
&rst
ixpk= 1467, nxpk= 20, iat= 829, 167, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 14 ILE HB 13 THR HA 5.00 (# 1468:20 Preassigned 4.70, 4.70 A)
&rst
ixpk= 1468, nxpk= 20, iat= 183, 167, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 14 ILE HG1- 13 THR HA 5.00 (# 1469:20 Unique 3.76, 4.40 A)
&rst
ixpk= 1469, nxpk= 20, iat= -1, 167, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 189, 190,
&end
#
# 0 AMB 20-2:1470 13 THR HA 5.00 (# 1470:20 Single Ambig)
&rst
ixpk= 1470, nxpk= 20, iat= -1, 167, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 189, 190, 251, 252, 253, 255, 256, 257,
&end
#
# 14 ILE QG2 13 THR HA 6.00 (# 1471:20 Preassigned 6.48, 6.62 A)
&rst
ixpk= 1471, nxpk= 20, iat= -1, 167, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 185, 186, 187,
&end
#
# 13 THR MG2 13 THR HA 3.00 (# 1472:20 Unique 2.44, 3.03 A)
&rst
ixpk= 1472, nxpk= 20, iat= -1, 167, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 171, 172, 173,
&end
#
# 56 LEU HN 55 PRO HA 3.00 (# 1473:20 Unique 2.14, 2.14 A)
&rst
ixpk= 1473, nxpk= 20, iat= 877, 873, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:1474 55 PRO HA 3.00 (# 1474:20 Single Ambig)
&rst
ixpk= 1474, nxpk= 20, iat= -1, 873, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 870, 871, 867, 868,
&end
#
# 55 PRO HB- 55 PRO HA 3.00 (# 1475:20 Unique 2.31, 2.53 A)
&rst
ixpk= 1475, nxpk= 20, iat= -1, 873, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 870, 871,
&end
#
# 48 ALA MB 55 PRO HA 5.00 (# 1476:20 Preassigned 4.28, 5.09 A)
&rst
ixpk= 1476, nxpk= 20, iat= -1, 873, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 747, 748, 749,
&end
#
# 73 ILE HN 71 THR HA 5.00 (# 1477:20 Unique 4.53, 4.53 A)
&rst
ixpk= 1477, nxpk= 20, iat=1122,1103, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 20-2:1478 71 THR HA 5.00 (# 1478:20 Single Ambig)
&rst
ixpk= 1478, nxpk= 20, iat= -1,1103, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1088,1089,1091,1092,
&end
#
# 95 ILE HB 95 ILE HA 4.00 (# 1479:20 Unique 3.06, 3.06 A)
&rst
ixpk= 1479, nxpk= 20, iat=1458,1456, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 95 ILE QD1 95 ILE HA 5.00 (# 1480:20 Unique 4.50, 4.69 A)
&rst
ixpk= 1480, nxpk= 20, iat= -1,1456, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1467,1468,1469,
&end
#
# 0 AMB 20-2:1481 0 AMB 20-1:1481 4.00 (# 1481:20 Double Ambig)
&rst
ixpk= 1481, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 479, 341, 350,
igr2=1456,1103,
&end
#
# 71 THR HN 71 THR HA 4.00 (# 1483:20 Unique 2.97, 2.97 A)
&rst
ixpk= 1483, nxpk= 20, iat=1101,1103, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 71 THR MG2 71 THR HA 3.00 (# 1484:20 Unique 2.47, 3.06 A)
&rst
ixpk= 1484, nxpk= 20, iat= -1,1103, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1107,1108,1109,
&end
#
# 26 VAL MGX 71 THR HA 4.00 (# 1485:20 Preassigned 3.82, 5.73 A)
&rst
ixpk= 1485, nxpk= 20, iat= -1,1103, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 380, 381, 382, 384, 385, 386,
&end
#
# 118 THR HN 117 VAL HA 4.00 (# 1486:20 Unique 2.25, 2.25 A)
&rst
ixpk= 1486, nxpk= 20, iat=1802,1788, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 117 VAL HN 117 VAL HA 4.00 (# 1487:20 Unique 2.90, 2.90 A)
&rst
ixpk= 1487, nxpk= 20, iat=1786,1788, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 117 VAL HB 117 VAL HA 3.00 (# 1488:20 Unique 3.04, 3.04 A)
&rst
ixpk= 1488, nxpk= 20, iat=1790,1788, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 118 THR MG2 117 VAL HA 6.00 (# 1489:20 Unique 3.98, 4.97 A)
&rst
ixpk= 1489, nxpk= 20, iat= -1,1788, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1808,1809,1810,
&end
#
# 117 VAL MGY 117 VAL HA 3.00 (# 1490:20 Unique 2.57, 3.16 A)
&rst
ixpk= 1490, nxpk= 20, iat= -1,1788, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1792,1793,1794,1796,1797,1798,
&end
#
# 32 TRP HE1 95 ILE HA 5.00 (# 1491:20 Unique 2.79, 2.79 A)
&rst
ixpk= 1491, nxpk= 20, iat= 476,1456, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 95 ILE HN 95 ILE HA 5.00 (# 1492:20 Unique 2.99, 2.99 A)
&rst
ixpk= 1492, nxpk= 20, iat=1454,1456, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 96 LEU HN 95 ILE HA 4.00 (# 1493:20 Unique 2.15, 2.15 A)
&rst
ixpk= 1493, nxpk= 20, iat=1473,1456, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 95 ILE QG2 95 ILE HA 4.00 (# 1494:20 Unique 2.63, 3.22 A)
&rst
ixpk= 1494, nxpk= 20, iat= -1,1456, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1460,1461,1462,
&end
#
# 95 ILE HG1- 95 ILE HA 3.00 (# 1495:20 Unique 2.53, 2.74 A)
&rst
ixpk= 1495, nxpk= 20, iat= -1,1456, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1464,1465,
&end
#
# 0 AMB 20-2:1496 0 AMB 20-1:1496 5.00 (# 1496:20 Double Ambig)
&rst
ixpk= 1496, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 57,1115,
igr2= 59,1103,
&end
#
# 99 THR HN 99 THR HA 4.00 (# 1498:20 Unique 2.95, 2.95 A)
&rst
ixpk= 1498, nxpk= 20, iat=1510,1512, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 100 ILE HN 99 THR HA 5.00 (# 1499:20 Unique 3.28, 3.28 A)
&rst
ixpk= 1499, nxpk= 20, iat=1524,1512, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 94 THR HA 99 THR HA 4.00 (# 1500:20 Unique 2.89, 2.89 A)
&rst
ixpk= 1500, nxpk= 20, iat=1442,1512, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 90 MET ME 99 THR HA 4.00 (# 1501:20 Unique 3.07, 3.85 A)
&rst
ixpk= 1501, nxpk= 20, iat= -1,1512, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1389,1390,1391,
&end
#
# 99 THR MG2 99 THR HA 3.00 (# 1502:20 Unique 2.45, 3.03 A)
&rst
ixpk= 1502, nxpk= 20, iat= -1,1512, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1516,1517,1518,
&end
#
# 94 THR MG2 99 THR HA 4.00 (# 1503:20 Unique 2.39, 3.43 A)
&rst
ixpk= 1503, nxpk= 20, iat= -1,1512, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1446,1447,1448,
&end
#
# 10 THR HN 10 THR HA 5.00 (# 1505:20 Unique 2.98, 2.98 A)
&rst
ixpk= 1505, nxpk= 20, iat= 125, 127, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 10 THR HB 10 THR HA 3.00 (# 1506:20 Unique 3.02, 3.02 A)
&rst
ixpk= 1506, nxpk= 20, iat= 129, 127, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 10 THR MG2 10 THR HA 4.00 (# 1507:20 Unique 2.43, 2.98 A)
&rst
ixpk= 1507, nxpk= 20, iat= -1, 127, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 131, 132, 133,
&end
#
# 119 PHE HN 118 THR HA 4.00 (# 1508:20 Unique 2.20, 2.20 A)
&rst
ixpk= 1508, nxpk= 20, iat=1816,1804, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 118 THR HB 118 THR HA 3.00 (# 1509:20 Preassigned 2.61, 2.61 A)
&rst
ixpk= 1509, nxpk= 20, iat=1806,1804, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 118 THR MG2 118 THR HA 4.00 (# 1510:20 Unique 2.40, 2.97 A)
&rst
ixpk= 1510, nxpk= 20, iat= -1,1804, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1808,1809,1810,
&end
#
# 13 THR HN 12 THR HA 3.00 (# 1511:20 Unique 2.19, 2.19 A)
&rst
ixpk= 1511, nxpk= 20, iat= 165, 153, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 12 THR HN 12 THR HA 4.00 (# 1512:20 Unique 2.88, 2.88 A)
&rst
ixpk= 1512, nxpk= 20, iat= 151, 153, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 52 ASN HD2- 12 THR HA 5.00 (# 1513:20 Unique 3.23, 3.69 A)
&rst
ixpk= 1513, nxpk= 20, iat= -1, 153, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 822, 823,
&end
#
# 52 ASN HD2+ 12 THR HA 5.00 (# 1514:20 Unique 3.23, 3.69 A)
&rst
ixpk= 1514, nxpk= 20, iat= -1, 153, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 822, 823,
&end
#
# 12 THR HB 12 THR HA 3.00 (# 1515:20 Unique 2.78, 2.78 A)
&rst
ixpk= 1515, nxpk= 20, iat= 155, 153, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 52 ASN HB+ 12 THR HA 5.00 (# 1516:20 Unique 4.27, 4.64 A)
&rst
ixpk= 1516, nxpk= 20, iat= -1, 153, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 817, 818,
&end
#
# 52 ASN HB- 12 THR HA 6.00 (# 1517:20 Unique 4.27, 4.64 A)
&rst
ixpk= 1517, nxpk= 20, iat= -1, 153, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 817, 818,
&end
#
# 0 AMB 20-2:1518 12 THR HA 5.00 (# 1518:20 Single Ambig)
&rst
ixpk= 1518, nxpk= 20, iat= -1, 153, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 143, 144, 169,
&end
#
# 12 THR MG2 12 THR HA 3.00 (# 1519:20 Unique 2.45, 2.89 A)
&rst
ixpk= 1519, nxpk= 20, iat= -1, 153, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 157, 158, 159,
&end
#
# 24 ALA MB 21 TRP HA 3.00 (# 1520:20 Unique 2.24, 2.98 A)
&rst
ixpk= 1520, nxpk= 20, iat= -1, 292, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 358, 359, 360,
&end
#
# 21 TRP HN 21 TRP HA 3.00 (# 1522:20 Unique 2.87, 2.87 A)
&rst
ixpk= 1522, nxpk= 20, iat= 290, 292, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 21 TRP HB- 21 TRP HA 4.00 (# 1523:20 Unique 2.38, 2.71 A)
&rst
ixpk= 1523, nxpk= 20, iat= -1, 292, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 294, 295,
&end
#
# 73 ILE HN 68 SER HA 5.00 (# 1524:20 Unique 3.27, 3.27 A)
&rst
ixpk= 1524, nxpk= 20, iat=1122,1065, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 23 TYR HD 68 SER HA 5.00 (# 1525:20 Unique 3.88, 4.82 A)
&rst
ixpk= 1525, nxpk= 20, iat= -1,1065, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 341, 350,
&end
#
# 0 AMB 20-2:1526 68 SER HA 5.00 (# 1526:20 Single Ambig)
&rst
ixpk= 1526, nxpk= 20, iat= -1,1065, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1126,1008,1009,
&end
#
# 39 THR HN 38 THR HA 4.00 (# 1527:20 Unique 2.13, 2.13 A)
&rst
ixpk= 1527, nxpk= 20, iat= 601, 589, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 38 THR HB 38 THR HA 4.00 (# 1528:20 Preassigned 3.01, 3.01 A)
&rst
ixpk= 1528, nxpk= 20, iat= 591, 589, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 80 ALA MB 38 THR HA 4.00 (# 1529:20 Unique 2.86, 3.26 A)
&rst
ixpk= 1529, nxpk= 20, iat= -1, 589, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1230,1231,1232,
&end
#
# 0 AMB 20-2:1530 38 THR HA 4.00 (# 1530:20 Single Ambig)
&rst
ixpk= 1530, nxpk= 20, iat= -1, 589, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 593, 594, 595, 607, 608, 609,
&end
#
# 0 AMB 20-2:1531 68 SER HA 3.00 (# 1531:20 Single Ambig)
&rst
ixpk= 1531, nxpk= 20, iat= -1,1065, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1101, 346,1044,
&end
#
# 23 TYR HE 68 SER HA 4.00 (# 1532:20 Unique 2.34, 3.61 A)
&rst
ixpk= 1532, nxpk= 20, iat= -1,1065, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 343, 348,
&end
#
# 68 SER HN 68 SER HA 4.00 (# 1533:20 Unique 2.81, 2.81 A)
&rst
ixpk= 1533, nxpk= 20, iat=1063,1065, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 68 SER HB+ 68 SER HA 3.00 (# 1534:20 Unique 2.39, 2.71 A)
&rst
ixpk= 1534, nxpk= 20, iat= -1,1065, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1067,1068,
&end
#
# 114 CYS HB+ 114 CYS HA 3.00 (# 1535:20 Unique 2.49, 2.78 A)
&rst
ixpk= 1535, nxpk= 20, iat= -1,1759, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1761,1762,
&end
#
# 114 CYS HB- 114 CYS HA 3.00 (# 1536:20 Unique 2.49, 2.78 A)
&rst
ixpk= 1536, nxpk= 20, iat= -1,1759, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1761,1762,
&end
#
# 115 SER HB+ 114 CYS HA 6.00 (# 1537:20 Preassigned 5.80, 6.11 A)
&rst
ixpk= 1537, nxpk= 20, iat= -1,1759, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1772,1773,
&end
#
# 109 ASP HN 108 PHE HA 6.00 (# 1539:20 Unique 3.61, 3.61 A)
&rst
ixpk= 1539, nxpk= 20, iat=1672,1654, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 108 PHE HN 108 PHE HA 3.00 (# 1540:20 Unique 2.83, 2.83 A)
&rst
ixpk= 1540, nxpk= 20, iat=1652,1654, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 108 PHE HB+ 108 PHE HA 3.00 (# 1542:20 Unique 2.48, 2.75 A)
&rst
ixpk= 1542, nxpk= 20, iat= -1,1654, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1656,1657,
&end
#
# 108 PHE HB- 108 PHE HA 3.00 (# 1543:20 Unique 2.48, 2.75 A)
&rst
ixpk= 1543, nxpk= 20, iat= -1,1654, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1656,1657,
&end
#
# 107 PRO HB+ 108 PHE HA 6.00 (# 1544:20 Preassigned 4.06, 4.62 A)
&rst
ixpk= 1544, nxpk= 20, iat= -1,1654, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1645,1646,
&end
#
# 107 PRO HB- 108 PHE HA 6.00 (# 1545:20 Preassigned 4.06, 4.62 A)
&rst
ixpk= 1545, nxpk= 20, iat= -1,1654, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1645,1646,
&end
#
# 63 ILE QG2 108 PHE HA 6.00 (# 1546:20 Preassigned 5.61, 5.98 A)
&rst
ixpk= 1546, nxpk= 20, iat= -1,1654, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 991, 992, 993,
&end
#
# 57 THR HN 57 THR HA 5.00 (# 1547:20 Unique 2.97, 2.97 A)
&rst
ixpk= 1547, nxpk= 20, iat= 896, 898, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 58 GLN HN 57 THR HA 5.00 (# 1548:20 Unique 2.42, 2.42 A)
&rst
ixpk= 1548, nxpk= 20, iat= 910, 898, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 57 THR MG2 57 THR HA 3.00 (# 1549:20 Unique 2.57, 3.15 A)
&rst
ixpk= 1549, nxpk= 20, iat= -1, 898, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 902, 903, 904,
&end
#
# 116 GLY HN 115 SER HA 6.00 (# 1550:20 Unique 3.13, 3.13 A)
&rst
ixpk= 1550, nxpk= 20, iat=1779,1770, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 115 SER HN 115 SER HA 5.00 (# 1551:20 Unique 3.01, 3.01 A)
&rst
ixpk= 1551, nxpk= 20, iat=1768,1770, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 115 SER HB+ 115 SER HA 3.00 (# 1552:20 Unique 2.43, 2.73 A)
&rst
ixpk= 1552, nxpk= 20, iat= -1,1770, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1772,1773,
&end
#
# 101 LEU HN 100 ILE HA 3.00 (# 1553:20 Unique 2.18, 2.18 A)
&rst
ixpk= 1553, nxpk= 20, iat=1543,1526, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 90 MET ME 100 ILE HA 4.00 (# 1554:20 Unique 2.84, 3.75 A)
&rst
ixpk= 1554, nxpk= 20, iat= -1,1526, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1389,1390,1391,
&end
#
# 100 ILE HB 100 ILE HA 3.00 (# 1555:20 Preassigned 2.67, 2.67 A)
&rst
ixpk= 1555, nxpk= 20, iat=1528,1526, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 100 ILE HG1- 100 ILE HA 4.00 (# 1556:20 Unique 3.73, 3.76 A)
&rst
ixpk= 1556, nxpk= 20, iat= -1,1526, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1534,1535,
&end
#
# 100 ILE QG2 100 ILE HA 3.00 (# 1557:20 Unique 2.33, 2.89 A)
&rst
ixpk= 1557, nxpk= 20, iat= -1,1526, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1530,1531,1532,
&end
#
# 74 ALA HN 73 ILE HA 3.00 (# 1558:20 Unique 2.14, 2.14 A)
&rst
ixpk= 1558, nxpk= 20, iat=1141,1124, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 73 ILE HN 73 ILE HA 4.00 (# 1559:20 Unique 3.01, 3.01 A)
&rst
ixpk= 1559, nxpk= 20, iat=1122,1124, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 74 ALA MB 73 ILE HA 4.00 (# 1560:20 Preassigned 4.49, 4.93 A)
&rst
ixpk= 1560, nxpk= 20, iat= -1,1124, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1145,1146,1147,
&end
#
# 73 ILE HG1- 73 ILE HA 4.00 (# 1561:20 Unique 2.41, 2.61 A)
&rst
ixpk= 1561, nxpk= 20, iat= -1,1124, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1132,1133,
&end
#
# 73 ILE HG1+ 73 ILE HA 4.00 (# 1562:20 Unique 2.41, 2.61 A)
&rst
ixpk= 1562, nxpk= 20, iat= -1,1124, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1132,1133,
&end
#
# 50 LYS HN 49 MET HA 5.00 (# 1563:20 Preassigned 3.54, 3.54 A)
&rst
ixpk= 1563, nxpk= 20, iat= 770, 755, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 53 TYR HN 49 MET HA 4.00 (# 1564:20 Unique 2.28, 2.28 A)
&rst
ixpk= 1564, nxpk= 20, iat= 827, 755, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:1565 49 MET HA 3.00 (# 1565:20 Single Ambig)
&rst
ixpk= 1565, nxpk= 20, iat= -1, 755, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 753, 813,
&end
#
# 49 MET HG- 49 MET HA 4.00 (# 1566:20 Unique 2.39, 2.69 A)
&rst
ixpk= 1566, nxpk= 20, iat= -1, 755, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 760, 761,
&end
#
# 49 MET HB+ 49 MET HA 3.00 (# 1567:20 Unique 2.53, 2.78 A)
&rst
ixpk= 1567, nxpk= 20, iat= -1, 755, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 757, 758,
&end
#
# 0 AMB 20-2:1568 84 GLU HA 4.00 (# 1568:20 Single Ambig)
&rst
ixpk= 1568, nxpk= 20, iat= -1,1289, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1366,1367,1371,
&end
#
# 84 GLU HN 84 GLU HA 4.00 (# 1569:20 Unique 2.85, 2.85 A)
&rst
ixpk= 1569, nxpk= 20, iat=1287,1289, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 84 GLU HB+ 84 GLU HA 3.00 (# 1570:20 Unique 2.50, 2.77 A)
&rst
ixpk= 1570, nxpk= 20, iat= -1,1289, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1291,1292,
&end
#
# 44 PHE HB+ 41 LEU HA 3.00 (# 1571:20 Unique 2.43, 2.99 A)
&rst
ixpk= 1571, nxpk= 20, iat= -1, 631, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 678, 679,
&end
#
# 41 LEU HN 41 LEU HA 5.00 (# 1572:20 Unique 2.83, 2.83 A)
&rst
ixpk= 1572, nxpk= 20, iat= 629, 631, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 44 PHE HD 41 LEU HA 4.00 (# 1573:20 Unique 3.41, 4.65 A)
&rst
ixpk= 1573, nxpk= 20, iat= -1, 631, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 682, 690,
&end
#
# 0 AMB 20-2:1574 41 LEU HA 3.00 (# 1574:20 Single Ambig)
&rst
ixpk= 1574, nxpk= 20, iat= -1, 631, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 636, 633, 634,
&end
#
# 41 LEU MDX 41 LEU HA 3.00 (# 1575:20 Preassigned 2.30, 3.81 A)
&rst
ixpk= 1575, nxpk= 20, iat= -1, 631, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 638, 639, 640, 642, 643, 644,
&end
#
# 61 VAL HN 60 HIS HA 5.00 (# 1576:20 Unique 3.57, 3.57 A)
&rst
ixpk= 1576, nxpk= 20, iat= 957, 941, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 60 HIS HD2 60 HIS HA 4.00 (# 1577:20 Unique 3.22, 3.22 A)
&rst
ixpk= 1577, nxpk= 20, iat= 953, 941, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 60 HIS HB+ 60 HIS HA 4.00 (# 1578:20 Unique 2.65, 2.79 A)
&rst
ixpk= 1578, nxpk= 20, iat= -1, 941, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 943, 944,
&end
#
# 60 HIS HB- 60 HIS HA 4.00 (# 1579:20 Unique 2.65, 2.79 A)
&rst
ixpk= 1579, nxpk= 20, iat= -1, 941, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 943, 944,
&end
#
# 63 ILE HG1- 60 HIS HA 5.00 (# 1580:20 Unique 3.59, 4.19 A)
&rst
ixpk= 1580, nxpk= 20, iat= -1, 941, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 995, 996,
&end
#
# 63 ILE HG1+ 60 HIS HA 5.00 (# 1581:20 Unique 3.59, 4.19 A)
&rst
ixpk= 1581, nxpk= 20, iat= -1, 941, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 995, 996,
&end
#
# 63 ILE QD1 60 HIS HA 3.00 (# 1582:20 Unique 2.10, 3.19 A)
&rst
ixpk= 1582, nxpk= 20, iat= -1, 941, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 998, 999,1000,
&end
#
# 0 AMB 20-2:1583 84 GLU HA 5.00 (# 1583:20 Single Ambig)
&rst
ixpk= 1583, nxpk= 20, iat= -1,1289, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1361,1362,1278,1279,
&end
#
# 70 GLN HG+ 70 GLN HA 3.00 (# 1585:20 Unique 2.49, 2.68 A)
&rst
ixpk= 1585, nxpk= 20, iat= -1,1086, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1091,1092,
&end
#
# 0 AMB 20-2:1586 70 GLN HA 3.00 (# 1586:20 Single Ambig)
&rst
ixpk= 1586, nxpk= 20, iat= -1,1086, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1091,1092,1088,1089,
&end
#
# 70 GLN HB- 70 GLN HA 3.00 (# 1587:20 Preassigned 2.58, 2.80 A)
&rst
ixpk= 1587, nxpk= 20, iat= -1,1086, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1088,1089,
&end
#
# 112 ARG HB+ 112 ARG HA 3.00 (# 1588:20 Preassigned 2.63, 2.82 A)
&rst
ixpk= 1588, nxpk= 20, iat= -1,1718, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1720,1721,
&end
#
# 113 GLN HN 112 ARG HA 6.00 (# 1589:20 Preassigned 3.59, 3.59 A)
&rst
ixpk= 1589, nxpk= 20, iat=1740,1718, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 71 THR HN 70 GLN HA 4.00 (# 1590:20 Unique 3.55, 3.55 A)
&rst
ixpk= 1590, nxpk= 20, iat=1101,1086, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 51 TYR HN 51 TYR HA 4.00 (# 1591:20 Unique 3.00, 3.00 A)
&rst
ixpk= 1591, nxpk= 20, iat= 792, 794, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 51 TYR HD 51 TYR HA 3.00 (# 1592:20 Unique 3.32, 3.70 A)
&rst
ixpk= 1592, nxpk= 20, iat= -1, 794, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 800, 809,
&end
#
# 0 AMB 20-2:1593 51 TYR HA 5.00 (# 1593:20 Single Ambig)
&rst
ixpk= 1593, nxpk= 20, iat= -1, 794, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 837, 842, 802, 807,
&end
#
# 51 TYR HB+ 51 TYR HA 3.00 (# 1594:20 Unique 2.38, 2.70 A)
&rst
ixpk= 1594, nxpk= 20, iat= -1, 794, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 796, 797,
&end
#
# 51 TYR HB- 51 TYR HA 4.00 (# 1595:20 Unique 2.38, 2.70 A)
&rst
ixpk= 1595, nxpk= 20, iat= -1, 794, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 796, 797,
&end
#
# 52 ASN HB- 51 TYR HA 5.00 (# 1596:20 Unique 4.36, 4.47 A)
&rst
ixpk= 1596, nxpk= 20, iat= -1, 794, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 817, 818,
&end
#
# 0 AMB 20-2:1597 0 AMB 20-1:1597 5.00 (# 1597:20 Double Ambig)
&rst
ixpk= 1597, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 474,1371,1366,1367,
igr2= 468,1342,
&end
#
# 32 TRP HN 32 TRP HA 4.00 (# 1598:20 Unique 2.97, 2.97 A)
&rst
ixpk= 1598, nxpk= 20, iat= 466, 468, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 33 PHE HD 32 TRP HA 6.00 (# 1599:20 Unique 5.45, 6.41 A)
&rst
ixpk= 1599, nxpk= 20, iat= -1, 468, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 498, 506,
&end
#
# 32 TRP HB+ 32 TRP HA 3.00 (# 1600:20 Unique 2.41, 2.48 A)
&rst
ixpk= 1600, nxpk= 20, iat= -1, 468, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 470, 471,
&end
#
# 32 TRP HB- 32 TRP HA 3.00 (# 1601:20 Unique 2.41, 2.48 A)
&rst
ixpk= 1601, nxpk= 20, iat= -1, 468, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 470, 471,
&end
#
# 0 AMB 20-2:1602 87 GLN HA 4.00 (# 1602:20 Single Ambig)
&rst
ixpk= 1602, nxpk= 20, iat= -1,1342, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1357,1321,
&end
#
# 87 GLN HN 87 GLN HA 3.00 (# 1603:20 Unique 2.91, 2.91 A)
&rst
ixpk= 1603, nxpk= 20, iat=1340,1342, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 51 TYR HE 87 GLN HA 5.00 (# 1604:20 Unique 3.97, 4.60 A)
&rst
ixpk= 1604, nxpk= 20, iat= -1,1342, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 802, 807,
&end
#
# 87 GLN HB+ 87 GLN HA 3.00 (# 1605:20 Unique 2.53, 2.78 A)
&rst
ixpk= 1605, nxpk= 20, iat= -1,1342, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1344,1345,
&end
#
# 87 GLN HG- 87 GLN HA 4.00 (# 1606:20 Unique 2.40, 2.74 A)
&rst
ixpk= 1606, nxpk= 20, iat= -1,1342, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1347,1348,
&end
#
# 45 ASN HB- 46 LEU HA 5.00 (# 1607:20 Unique 4.22, 4.37 A)
&rst
ixpk= 1607, nxpk= 20, iat= -1, 710, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 698, 699,
&end
#
# 46 LEU HN 46 LEU HA 3.00 (# 1608:20 Unique 2.84, 2.84 A)
&rst
ixpk= 1608, nxpk= 20, iat= 708, 710, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:1609 46 LEU HA 4.00 (# 1609:20 Single Ambig)
&rst
ixpk= 1609, nxpk= 20, iat= -1, 710, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 727, 657, 658,
&end
#
# 46 LEU HB- 46 LEU HA 3.00 (# 1610:20 Unique 2.58, 2.80 A)
&rst
ixpk= 1610, nxpk= 20, iat= -1, 710, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 712, 713,
&end
#
# 0 AMB 20-2:1611 46 LEU HA 4.00 (# 1611:20 Single Ambig)
&rst
ixpk= 1611, nxpk= 20, iat= -1, 710, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 717, 718, 719, 721, 722, 723, 717, 718, 719, 721,
722, 723,
&end
#
# 49 MET HN 46 LEU HA 5.00 (# 1612:20 Unique 4.06, 4.06 A)
&rst
ixpk= 1612, nxpk= 20, iat= 753, 710, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 88 ASN HN 85 LEU HA 4.00 (# 1614:20 Preassigned 3.62, 3.62 A)
&rst
ixpk= 1614, nxpk= 20, iat=1357,1304, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 85 LEU HB- 85 LEU HA 3.00 (# 1615:20 Unique 2.64, 2.79 A)
&rst
ixpk= 1615, nxpk= 20, iat= -1,1304, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1306,1307,
&end
#
# 85 LEU MDY 85 LEU HA 3.00 (# 1616:20 Unique 2.05, 3.32 A)
&rst
ixpk= 1616, nxpk= 20, iat= -1,1304, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1311,1312,1313,1315,1316,1317,
&end
#
# 119 PHE HD 119 PHE HA 4.00 (# 1617:20 Unique 3.04, 3.67 A)
&rst
ixpk= 1617, nxpk= 20, iat= -1,1818, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1824,1832,
&end
#
# 119 PHE HB- 119 PHE HA 4.00 (# 1618:20 Unique 2.39, 2.72 A)
&rst
ixpk= 1618, nxpk= 20, iat= -1,1818, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1820,1821,
&end
#
# 120 GLN HN 119 PHE HA 4.00 (# 1619:20 Unique 2.27, 2.27 A)
&rst
ixpk= 1619, nxpk= 20, iat=1836,1818, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 119 PHE HB+ 119 PHE HA 4.00 (# 1620:20 Unique 2.39, 2.72 A)
&rst
ixpk= 1620, nxpk= 20, iat= -1,1818, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1820,1821,
&end
#
# 62 ASP HN 62 ASP HA 3.00 (# 1621:20 Unique 2.84, 2.84 A)
&rst
ixpk= 1621, nxpk= 20, iat= 973, 975, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 113 GLN HN 113 GLN HA 4.00 (# 1622:20 Preassigned 2.83, 2.83 A)
&rst
ixpk= 1622, nxpk= 20, iat=1740,1742, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 113 GLN HG- 113 GLN HA 4.00 (# 1623:20 Unique 2.60, 2.84 A)
&rst
ixpk= 1623, nxpk= 20, iat= -1,1742, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1747,1748,
&end
#
# 113 GLN HB+ 113 GLN HA 3.00 (# 1624:20 Unique 2.51, 2.76 A)
&rst
ixpk= 1624, nxpk= 20, iat= -1,1742, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1744,1745,
&end
#
# 85 LEU HG 85 LEU HA 4.00 (# 1625:20 Unique 3.74, 3.74 A)
&rst
ixpk= 1625, nxpk= 20, iat=1309,1304, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:1626 53 TYR HA 5.00 (# 1626:20 Single Ambig)
&rst
ixpk= 1626, nxpk= 20, iat= -1, 829, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 165, 827,
&end
#
# 54 GLU HN 53 TYR HA 5.00 (# 1627:20 Unique 2.30, 2.30 A)
&rst
ixpk= 1627, nxpk= 20, iat= 848, 829, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 53 TYR HD 53 TYR HA 5.00 (# 1628:20 Unique 3.31, 3.53 A)
&rst
ixpk= 1628, nxpk= 20, iat= -1, 829, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 835, 844,
&end
#
# 43 ASP HN 43 ASP HA 3.00 (# 1629:20 Unique 2.85, 2.85 A)
&rst
ixpk= 1629, nxpk= 20, iat= 662, 664, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 64 LEU HN 62 ASP HA 4.00 (# 1630:20 Preassigned 4.41, 4.41 A)
&rst
ixpk= 1630, nxpk= 20, iat=1004, 975, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:1631 0 AMB 20-1:1631 3.00 (# 1631:20 Double Ambig)
&rst
ixpk= 1631, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 977, 978, 666, 667,
igr2= 975, 664,
&end
#
# 0 AMB 20-2:1632 0 AMB 20-1:1632 3.00 (# 1632:20 Double Ambig)
&rst
ixpk= 1632, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 712, 713,1205,1206,
igr2= 664,1200,
&end
#
# 0 AMB 20-2:1633 0 AMB 20-1:1633 3.00 (# 1633:20 Double Ambig)
&rst
ixpk= 1633, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 717, 718, 719, 721, 722, 723, 963, 964, 965, 967,
968, 969, 963, 964, 965, 967, 968, 969,
igr2= 664, 975,
&end
#
# 0 AMB 20-2:1634 0 AMB 20-1:1634 4.00 (# 1634:20 Double Ambig)
&rst
ixpk= 1634, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1236, 708,
igr2=1200, 664,
&end
#
# 58 GLN HA 62 ASP HA 6.00 (# 1635:20 Preassigned 6.18, 6.18 A)
&rst
ixpk= 1635, nxpk= 20, iat= 912, 975, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:1636 0 AMB 20-1:1636 3.00 (# 1636:20 Double Ambig)
&rst
ixpk= 1636, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 977, 978, 977, 978,
igr2= 975, 929,
&end
#
# 0 AMB 20-2:1637 0 AMB 20-1:1637 4.00 (# 1637:20 Double Ambig)
&rst
ixpk= 1637, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 995, 996,1250,1251, 265, 266,1157,1158,1159,1161,
1162,1163,
igr2= 929,1200,
&end
#
# 60 HIS HN 59 ASP HA 5.00 (# 1638:20 Preassigned 3.62, 3.62 A)
&rst
ixpk= 1638, nxpk= 20, iat= 939, 929, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 59 ASP HB+ 59 ASP HA 3.00 (# 1639:20 Unique 2.41, 2.73 A)
&rst
ixpk= 1639, nxpk= 20, iat= -1, 929, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 931, 932,
&end
#
# 59 ASP HB- 59 ASP HA 3.00 (# 1640:20 Unique 2.41, 2.73 A)
&rst
ixpk= 1640, nxpk= 20, iat= -1, 929, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 931, 932,
&end
#
# 120 GLN HN 120 GLN HA 4.00 (# 1642:20 Unique 2.97, 2.97 A)
&rst
ixpk= 1642, nxpk= 20, iat=1836,1838, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:1643 77 ASP HA 5.00 (# 1643:20 Single Ambig)
&rst
ixpk= 1643, nxpk= 20, iat= -1,1188, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1226, 538, 539,
&end
#
# 77 ASP HN 77 ASP HA 5.00 (# 1644:20 Unique 2.90, 2.90 A)
&rst
ixpk= 1644, nxpk= 20, iat=1186,1188, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 77 ASP HB- 77 ASP HA 4.00 (# 1645:20 Unique 2.56, 2.77 A)
&rst
ixpk= 1645, nxpk= 20, iat= -1,1188, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1190,1191,
&end
#
# 80 ALA MB 77 ASP HA 4.00 (# 1646:20 Unique 2.97, 3.83 A)
&rst
ixpk= 1646, nxpk= 20, iat= -1,1188, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1230,1231,1232,
&end
#
# 0 AMB 20-2:1647 77 ASP HA 5.00 (# 1647:20 Single Ambig)
&rst
ixpk= 1647, nxpk= 20, iat= -1,1188, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 593, 594, 595, 607, 608, 609,
&end
#
# 109 ASP HN 109 ASP HA 3.00 (# 1648:20 Unique 2.90, 2.90 A)
&rst
ixpk= 1648, nxpk= 20, iat=1672,1674, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 109 ASP HB+ 109 ASP HA 3.00 (# 1649:20 Unique 2.53, 2.78 A)
&rst
ixpk= 1649, nxpk= 20, iat= -1,1674, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1676,1677,
&end
#
# 44 PHE HN 43 ASP HA 4.00 (# 1651:20 Unique 3.58, 3.58 A)
&rst
ixpk= 1651, nxpk= 20, iat= 674, 664, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 82 LEU HN 78 MET HA 5.00 (# 1653:20 Unique 3.70, 3.70 A)
&rst
ixpk= 1653, nxpk= 20, iat=1246,1200, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 20-2:1654 0 AMB 20-1:1654 4.00 (# 1654:20 Double Ambig)
&rst
ixpk= 1654, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1198, 985,
igr2=1200, 929,
&end
#
# 78 MET HB+ 78 MET HA 3.00 (# 1655:20 Unique 2.54, 2.79 A)
&rst
ixpk= 1655, nxpk= 20, iat= -1,1200, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1202,1203,
&end
#
# 0 AMB 20-2:1656 78 MET HA 3.00 (# 1656:20 Single Ambig)
&rst
ixpk= 1656, nxpk= 20, iat= -1,1200, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1=1240,1241,1242,1202,1203,
&end
#
# 19 LEU MDY 78 MET HA 5.00 (# 1657:20 Unique 4.62, 6.31 A)
&rst
ixpk= 1657, nxpk= 20, iat= -1,1200, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 270, 271, 272, 274, 275, 276,
&end
#
# 0 AMB 20-2:1658 0 AMB 20-1:1658 3.00 (# 1658:20 Double Ambig)
&rst
ixpk= 1658, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1378, 648,
igr2=1380, 650,
&end
#
# 42 ASN HD2- 42 ASN HA 3.00 (# 1659:20 Unique 2.25, 2.88 A)
&rst
ixpk= 1659, nxpk= 20, iat= -1, 650, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 657, 658,
&end
#
# 90 MET HB- 90 MET HA 3.00 (# 1660:20 Unique 2.50, 2.76 A)
&rst
ixpk= 1660, nxpk= 20, iat= -1,1380, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1382,1383,
&end
#
# 90 MET HG+ 90 MET HA 4.00 (# 1661:20 Unique 2.32, 2.92 A)
&rst
ixpk= 1661, nxpk= 20, iat= -1,1380, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1385,1386,
&end
#
# 0 AMB 20-2:1662 0 AMB 20-1:1662 5.00 (# 1662:20 Double Ambig)
&rst
ixpk= 1662, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1311,1312,1313,1315,1316,1317, 638, 639, 640, 642,
643, 644,
igr2=1380, 650,
&end
#
# 2 ARG HG- 2 ARG HA 4.00 (# 1668:20 Unique 3.77, 3.80 A)
&rst
ixpk= 1668, nxpk= 20, iat= -1, 18, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 23, 24,
&end
#
# 3 GLN HB+ 3 GLN HA 3.00 (# 1669:20 Unique 2.50, 2.77 A)
&rst
ixpk= 1669, nxpk= 20, iat= -1, 42, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 44, 45,
&end
#
# 2 ARG HB+ 2 ARG HA 3.00 (# 1670:20 Unique 2.40, 2.44 A)
&rst
ixpk= 1670, nxpk= 20, iat= -1, 18, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 20, 21,
&end
#
# 5 ALA MB 2 ARG HA 4.00 (# 1671:20 Unique 7.32, 8.22 A)
&rst
ixpk= 1671, nxpk= 20, iat= -1, 18, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 75, 76, 77,
&end
#
# 0 AMB 20-2:1672 20 ALA HA 4.00 (# 1672:20 Single Ambig)
&rst
ixpk= 1672, nxpk= 20, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 333, 290,
&end
#
# 20 ALA HN 20 ALA HA 4.00 (# 1673:20 Unique 2.82, 2.82 A)
&rst
ixpk= 1673, nxpk= 20, iat= 280, 282, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 23 TYR HD 20 ALA HA 3.00 (# 1674:20 Unique 2.49, 4.28 A)
&rst
ixpk= 1674, nxpk= 20, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 341, 350,
&end
#
# 23 TYR HB+ 20 ALA HA 4.00 (# 1675:20 Unique 2.60, 3.44 A)
&rst
ixpk= 1675, nxpk= 20, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 337, 338,
&end
#
# 23 TYR HB- 20 ALA HA 5.00 (# 1676:20 Unique 2.60, 3.44 A)
&rst
ixpk= 1676, nxpk= 20, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 337, 338,
&end
#
# 20 ALA MB 20 ALA HA 3.00 (# 1678:20 Unique 2.46, 2.66 A)
&rst
ixpk= 1678, nxpk= 20, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 284, 285, 286,
&end
#
# 0 AMB 20-2:1679 20 ALA HA 4.00 (# 1679:20 Single Ambig)
&rst
ixpk= 1679, nxpk= 20, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1053,1054,1055,1057,1058,1059,1013,1014,1015,1017,
1018,1019,
&end
#
# 67 LEU MDY 20 ALA HA 5.00 (# 1680:20 Unique 2.69, 4.39 A)
&rst
ixpk= 1680, nxpk= 20, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1053,1054,1055,1057,1058,1059,
&end
#
# 36 ARG HN 36 ARG HA 5.00 (# 1681:20 Unique 2.90, 2.90 A)
&rst
ixpk= 1681, nxpk= 20, iat= 543, 545, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 20-2:1682 6 GLN HA 4.00 (# 1682:20 Single Ambig)
&rst
ixpk= 1682, nxpk= 20, iat= -1, 83, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 98, 81,
&end
#
# 6 GLN HG+ 6 GLN HA 4.00 (# 1683:20 Unique 3.72, 3.82 A)
&rst
ixpk= 1683, nxpk= 20, iat= -1, 83, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 88, 89,
&end
#
# 6 GLN HB+ 6 GLN HA 3.00 (# 1684:20 Unique 2.42, 2.43 A)
&rst
ixpk= 1684, nxpk= 20, iat= -1, 83, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 85, 86,
&end
#
# 48 ALA HA 45 ASN HA 6.00 (# 1685:20 Unique 5.07, 5.07 A)
&rst
ixpk= 1685, nxpk= 20, iat= 745, 696, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 37 PHE HN 36 ARG HA 4.00 (# 1686:20 Unique 3.44, 3.44 A)
&rst
ixpk= 1686, nxpk= 20, iat= 567, 545, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 36 ARG HD+ 36 ARG HA 4.00 (# 1688:20 Unique 3.59, 4.05 A)
&rst
ixpk= 1688, nxpk= 20, iat= -1, 545, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 553, 554,
&end
#
# 36 ARG HB+ 36 ARG HA 3.00 (# 1689:20 Unique 2.61, 2.81 A)
&rst
ixpk= 1689, nxpk= 20, iat= -1, 545, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 547, 548,
&end
#
# 36 ARG HB- 36 ARG HA 3.00 (# 1690:20 Unique 2.61, 2.81 A)
&rst
ixpk= 1690, nxpk= 20, iat= -1, 545, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 547, 548,
&end
#
# 36 ARG HG+ 36 ARG HA 4.00 (# 1691:20 Unique 2.18, 2.79 A)
&rst
ixpk= 1691, nxpk= 20, iat= -1, 545, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 550, 551,
&end
#
# 45 ASN HN 45 ASN HA 4.00 (# 1692:20 Unique 2.85, 2.85 A)
&rst
ixpk= 1692, nxpk= 20, iat= 694, 696, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 48 ALA HN 45 ASN HA 4.00 (# 1693:20 Unique 3.31, 3.31 A)
&rst
ixpk= 1693, nxpk= 20, iat= 743, 696, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 46 LEU HN 45 ASN HA 4.00 (# 1694:20 Unique 3.59, 3.59 A)
&rst
ixpk= 1694, nxpk= 20, iat= 708, 696, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 44 PHE HD 45 ASN HA 4.00 (# 1695:20 Unique 3.72, 4.76 A)
&rst
ixpk= 1695, nxpk= 20, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 682, 690,
&end
#
# 0 AMB 20-2:1696 45 ASN HA 5.00 (# 1696:20 Single Ambig)
&rst
ixpk= 1696, nxpk= 20, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 727, 657, 658,
&end
#
# 45 ASN HB+ 45 ASN HA 3.00 (# 1697:20 Unique 2.62, 2.81 A)
&rst
ixpk= 1697, nxpk= 20, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 698, 699,
&end
#
# 45 ASN HB- 45 ASN HA 3.00 (# 1698:20 Unique 2.62, 2.81 A)
&rst
ixpk= 1698, nxpk= 20, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 698, 699,
&end
#
# 0 AMB 20-2:1699 45 ASN HA 5.00 (# 1699:20 Single Ambig)
&rst
ixpk= 1699, nxpk= 20, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 870, 871, 731, 712, 713,1219,1220,
&end
#
# 48 ALA MB 45 ASN HA 3.00 (# 1700:20 Unique 2.30, 3.20 A)
&rst
ixpk= 1700, nxpk= 20, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 747, 748, 749,
&end
#
# 0 AMB 20-2:1701 45 ASN HA 5.00 (# 1701:20 Single Ambig)
&rst
ixpk= 1701, nxpk= 20, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 764, 765, 766, 870, 871,
&end
#
# 93 ARG HN 93 ARG HA 4.00 (# 1702:20 Unique 2.87, 2.87 A)
&rst
ixpk= 1702, nxpk= 20, iat=1416,1418, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 84 GLU HB+ 81 ALA HA 4.00 (# 1703:20 Unique 3.27, 4.10 A)
&rst
ixpk= 1703, nxpk= 20, iat= -1,1238, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1291,1292,
&end
#
# 82 LEU HN 81 ALA HA 4.00 (# 1704:20 Unique 3.60, 3.60 A)
&rst
ixpk= 1704, nxpk= 20, iat=1246,1238, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 94 THR HN 93 ARG HA 4.00 (# 1705:20 Unique 2.23, 2.23 A)
&rst
ixpk= 1705, nxpk= 20, iat=1440,1418, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 84 GLU HN 81 ALA HA 4.00 (# 1706:20 Unique 3.50, 3.50 A)
&rst
ixpk= 1706, nxpk= 20, iat=1287,1238, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:1707 81 ALA HA 5.00 (# 1707:20 Single Ambig)
&rst
ixpk= 1707, nxpk= 20, iat= -1,1238, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 533, 534, 494, 495,
&end
#
# 93 ARG HB+ 93 ARG HA 3.00 (# 1708:20 Unique 2.71, 2.84 A)
&rst
ixpk= 1708, nxpk= 20, iat= -1,1418, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1420,1421,
&end
#
# 64 LEU HN 64 LEU HA 3.00 (# 1709:20 Unique 2.89, 2.89 A)
&rst
ixpk= 1709, nxpk= 20, iat=1004,1006, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:1710 64 LEU HA 3.00 (# 1710:20 Single Ambig)
&rst
ixpk= 1710, nxpk= 20, iat= -1,1006, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1013,1014,1015,1017,1018,1019, 991, 992, 993,
&end
#
# 67 LEU MDY 64 LEU HA 5.00 (# 1711:20 Unique 3.07, 5.15 A)
&rst
ixpk= 1711, nxpk= 20, iat= -1,1006, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1053,1054,1055,1057,1058,1059,
&end
#
# 20 ALA MB 17 ASN HA 3.00 (# 1712:20 Unique 2.31, 3.08 A)
&rst
ixpk= 1712, nxpk= 20, iat= -1, 233, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 284, 285, 286,
&end
#
# 0 AMB 20-2:1713 28 ASN HA 5.00 (# 1713:20 Single Ambig)
&rst
ixpk= 1713, nxpk= 20, iat= -1, 411, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 430, 390, 364,
&end
#
# 0 AMB 20-2:1714 0 AMB 20-1:1714 5.00 (# 1714:20 Double Ambig)
&rst
ixpk= 1714, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 418, 419, 240, 241,
igr2= 411, 233,
&end
#
# 53 TYR HN 52 ASN HA 3.00 (# 1715:20 Unique 2.31, 2.31 A)
&rst
ixpk= 1715, nxpk= 20, iat= 827, 815, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 52 ASN HN 52 ASN HA 3.00 (# 1716:20 Unique 2.30, 2.30 A)
&rst
ixpk= 1716, nxpk= 20, iat= 813, 815, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 51 TYR HN 52 ASN HA 5.00 (# 1717:20 Preassigned 4.42, 4.42 A)
&rst
ixpk= 1717, nxpk= 20, iat= 792, 815, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 52 ASN HB+ 52 ASN HA 3.00 (# 1718:20 Unique 2.59, 2.80 A)
&rst
ixpk= 1718, nxpk= 20, iat= -1, 815, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 817, 818,
&end
#
# 52 ASN HB- 52 ASN HA 3.00 (# 1719:20 Unique 2.59, 2.80 A)
&rst
ixpk= 1719, nxpk= 20, iat= -1, 815, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 817, 818,
&end
#
# 81 ALA HN 81 ALA HA 3.00 (# 1720:20 Unique 2.83, 2.83 A)
&rst
ixpk= 1720, nxpk= 20, iat=1236,1238, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 35 ASN HD2- 81 ALA HA 4.00 (# 1721:20 Unique 2.17, 2.97 A)
&rst
ixpk= 1721, nxpk= 20, iat= -1,1238, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 538, 539,
&end
#
# 0 AMB 20-2:1722 81 ALA HA 5.00 (# 1722:20 Single Ambig)
&rst
ixpk= 1722, nxpk= 20, iat= -1,1238, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 512,1248, 492,
&end
#
# 81 ALA MB 81 ALA HA 3.00 (# 1723:20 Unique 2.47, 2.66 A)
&rst
ixpk= 1723, nxpk= 20, iat= -1,1238, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1240,1241,1242,
&end
#
# 67 LEU HN 64 LEU HA 4.00 (# 1724:20 Preassigned 3.61, 3.61 A)
&rst
ixpk= 1724, nxpk= 20, iat=1044,1006, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 64 LEU HB+ 64 LEU HA 3.00 (# 1725:20 Unique 2.53, 2.77 A)
&rst
ixpk= 1725, nxpk= 20, iat= -1,1006, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1008,1009,
&end
#
# 64 LEU HG 64 LEU HA 3.00 (# 1726:20 Preassigned 2.76, 2.76 A)
&rst
ixpk= 1726, nxpk= 20, iat=1011,1006, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 70 GLN HN 69 ALA HA 4.00 (# 1727:20 Unique 3.59, 3.59 A)
&rst
ixpk= 1727, nxpk= 20, iat=1084,1076, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 75 VAL MGY 64 LEU HA 5.00 (# 1728:20 Preassigned 5.22, 6.41 A)
&rst
ixpk= 1728, nxpk= 20, iat= -1,1006, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1157,1158,1159,1161,1162,1163,
&end
#
# 20 ALA HN 17 ASN HA 5.00 (# 1729:20 Unique 3.08, 3.08 A)
&rst
ixpk= 1729, nxpk= 20, iat= 280, 233, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 17 ASN HD2+ 17 ASN HA 5.00 (# 1730:20 Preassigned 4.36, 4.49 A)
&rst
ixpk= 1730, nxpk= 20, iat= -1, 233, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 240, 241,
&end
#
# 21 TRP HB+ 17 ASN HA 6.00 (# 1732:20 Preassigned 5.14, 5.19 A)
&rst
ixpk= 1732, nxpk= 20, iat= -1, 233, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 294, 295,
&end
#
# 27 ILE QG2 28 ASN HA 4.00 (# 1733:20 Unique 3.04, 4.06 A)
&rst
ixpk= 1733, nxpk= 20, iat= -1, 411, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 396, 397, 398,
&end
#
# 28 ASN HN 28 ASN HA 3.00 (# 1734:20 Unique 2.87, 2.87 A)
&rst
ixpk= 1734, nxpk= 20, iat= 409, 411, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 28 ASN HB+ 28 ASN HA 3.00 (# 1735:20 Unique 2.67, 2.84 A)
&rst
ixpk= 1735, nxpk= 20, iat= -1, 411, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 413, 414,
&end
#
# 28 ASN HB- 28 ASN HA 3.00 (# 1736:20 Unique 2.67, 2.84 A)
&rst
ixpk= 1736, nxpk= 20, iat= -1, 411, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 413, 414,
&end
#
# 54 GLU HN 54 GLU HA 4.00 (# 1737:20 Unique 2.90, 2.90 A)
&rst
ixpk= 1737, nxpk= 20, iat= 848, 850, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 55 PRO HD- 54 GLU HA 3.00 (# 1738:20 Unique 2.27, 2.37 A)
&rst
ixpk= 1738, nxpk= 20, iat= -1, 850, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 864, 865,
&end
#
# 55 PRO HD+ 54 GLU HA 3.00 (# 1739:20 Unique 2.27, 2.37 A)
&rst
ixpk= 1739, nxpk= 20, iat= -1, 850, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 864, 865,
&end
#
# 54 GLU HB- 54 GLU HA 3.00 (# 1740:20 Unique 2.48, 2.75 A)
&rst
ixpk= 1740, nxpk= 20, iat= -1, 850, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 852, 853,
&end
#
# 12 THR MG2 54 GLU HA 5.00 (# 1741:20 Unique 2.67, 3.57 A)
&rst
ixpk= 1741, nxpk= 20, iat= -1, 850, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 157, 158, 159,
&end
#
# 0 AMB 20-2:1742 101 LEU HA 4.00 (# 1742:20 Single Ambig)
&rst
ixpk= 1742, nxpk= 20, iat= -1,1545, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 305,1543,
&end
#
# 21 TRP HZ3 101 LEU HA 4.00 (# 1743:20 Unique 2.82, 2.82 A)
&rst
ixpk= 1743, nxpk= 20, iat= 307,1545, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:1745 101 LEU HA 3.00 (# 1745:20 Single Ambig)
&rst
ixpk= 1745, nxpk= 20, iat= -1,1545, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1547,1548,1550,
&end
#
# 0 AMB 20-2:1746 101 LEU HA 3.00 (# 1746:20 Single Ambig)
&rst
ixpk= 1746, nxpk= 20, iat= -1,1545, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1547,1548, 251, 252, 253, 255, 256, 257,
&end
#
# 101 LEU MDX 101 LEU HA 4.00 (# 1747:20 Unique 2.36, 3.92 A)
&rst
ixpk= 1747, nxpk= 20, iat= -1,1545, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1552,1553,1554,1556,1557,1558,
&end
#
# 69 ALA HN 69 ALA HA 3.00 (# 1748:20 Unique 2.85, 2.85 A)
&rst
ixpk= 1748, nxpk= 20, iat=1074,1076, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 72 GLY HN 69 ALA HA 5.00 (# 1749:20 Unique 3.67, 3.67 A)
&rst
ixpk= 1749, nxpk= 20, iat=1115,1076, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 69 ALA MB 69 ALA HA 3.00 (# 1750:20 Unique 2.47, 2.66 A)
&rst
ixpk= 1750, nxpk= 20, iat= -1,1076, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1078,1079,1080,
&end
#
# 11 ASP HN 11 ASP HA 4.00 (# 1751:20 Unique 2.89, 2.89 A)
&rst
ixpk= 1751, nxpk= 20, iat= 139, 141, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 12 THR HN 11 ASP HA 4.00 (# 1752:20 Unique 3.46, 3.46 A)
&rst
ixpk= 1752, nxpk= 20, iat= 151, 141, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:1753 0 AMB 20-1:1753 3.00 (# 1753:20 Double Ambig)
&rst
ixpk= 1753, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 8, 9, 143, 144,
igr2= 6, 141,
&end
#
# 91 ASN HN 91 ASN HA 4.00 (# 1754:20 Unique 2.34, 2.34 A)
&rst
ixpk= 1754, nxpk= 20, iat=1395,1397, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 92 GLY HN 91 ASN HA 4.00 (# 1755:20 Unique 2.97, 2.97 A)
&rst
ixpk= 1755, nxpk= 20, iat=1409,1397, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 91 ASN HB+ 91 ASN HA 3.00 (# 1756:20 Unique 2.54, 2.79 A)
&rst
ixpk= 1756, nxpk= 20, iat= -1,1397, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1399,1400,
&end
#
# 91 ASN HB- 91 ASN HA 3.00 (# 1757:20 Unique 2.54, 2.79 A)
&rst
ixpk= 1757, nxpk= 20, iat= -1,1397, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1399,1400,
&end
#
# 0 AMB 20-2:1759 0 AMB 20-1:1759 3.00 (# 1759:20 Double Ambig)
&rst
ixpk= 1759, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 102, 103, 104, 75, 76, 77, 112, 113, 114,
igr2= 100, 73, 110,
&end
#
# 68 SER HB+ 74 ALA HA 3.00 (# 1760:20 Unique 2.66, 3.41 A)
&rst
ixpk= 1760, nxpk= 20, iat= -1,1143, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1067,1068,
&end
#
# 74 ALA HN 74 ALA HA 5.00 (# 1761:20 Unique 2.86, 2.86 A)
&rst
ixpk= 1761, nxpk= 20, iat=1141,1143, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 75 VAL HN 74 ALA HA 3.00 (# 1762:20 Unique 2.28, 2.28 A)
&rst
ixpk= 1762, nxpk= 20, iat=1151,1143, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 23 TYR HH 74 ALA HA 5.00 (# 1763:20 Unique 4.28, 4.28 A)
&rst
ixpk= 1763, nxpk= 20, iat= 346,1143, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 75 VAL HB 74 ALA HA 5.00 (# 1764:20 Preassigned 4.81, 4.81 A)
&rst
ixpk= 1764, nxpk= 20, iat=1155,1143, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 74 ALA MB 74 ALA HA 3.00 (# 1766:20 Unique 2.47, 2.66 A)
&rst
ixpk= 1766, nxpk= 20, iat= -1,1143, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1145,1146,1147,
&end
#
# 75 VAL MGY 74 ALA HA 5.00 (# 1767:20 Unique 3.67, 5.64 A)
&rst
ixpk= 1767, nxpk= 20, iat= -1,1143, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1157,1158,1159,1161,1162,1163,
&end
#
# 75 VAL MGX 74 ALA HA 6.00 (# 1768:20 Preassigned 3.67, 5.64 A)
&rst
ixpk= 1768, nxpk= 20, iat= -1,1143, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1157,1158,1159,1161,1162,1163,
&end
#
# 0 AMB 20-2:1769 0 AMB 20-1:1769 3.00 (# 1769:20 Double Ambig)
&rst
ixpk= 1769, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 108, 81, 98, 71,
igr2= 100, 73, 110,
&end
#
# 103 ASP HN 103 ASP HA 4.00 (# 1770:20 Unique 3.00, 3.00 A)
&rst
ixpk= 1770, nxpk= 20, iat=1577,1579, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 104 GLU HN 103 ASP HA 4.00 (# 1771:20 Unique 2.99, 2.99 A)
&rst
ixpk= 1771, nxpk= 20, iat=1589,1579, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 103 ASP HB+ 103 ASP HA 3.00 (# 1772:20 Unique 2.17, 2.43 A)
&rst
ixpk= 1772, nxpk= 20, iat= -1,1579, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1581,1582,
&end
#
# 17 ASN HB+ 103 ASP HA 5.00 (# 1773:20 Unique 2.51, 2.68 A)
&rst
ixpk= 1773, nxpk= 20, iat= -1,1579, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 235, 236,
&end
#
# 103 ASP HB- 103 ASP HA 3.00 (# 1774:20 Unique 2.17, 2.43 A)
&rst
ixpk= 1774, nxpk= 20, iat= -1,1579, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1581,1582,
&end
#
# 18 VAL MGY 103 ASP HA 5.00 (# 1775:20 Unique 2.93, 4.50 A)
&rst
ixpk= 1775, nxpk= 20, iat= -1,1579, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 251, 252, 253, 255, 256, 257,
&end
#
# 18 VAL MGX 103 ASP HA 5.00 (# 1776:20 Unique 2.93, 4.50 A)
&rst
ixpk= 1776, nxpk= 20, iat= -1,1579, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 251, 252, 253, 255, 256, 257,
&end
#
# 13 THR MG2 103 ASP HA 5.00 (# 1777:20 Unique 4.96, 5.24 A)
&rst
ixpk= 1777, nxpk= 20, iat= -1,1579, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 171, 172, 173,
&end
#
# 18 VAL HN 103 ASP HA 5.00 (# 1778:20 Unique 3.49, 3.49 A)
&rst
ixpk= 1778, nxpk= 20, iat= 245,1579, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 65 GLY HN 65 GLY HA+ 3.00 (# 1779:20 Unique 2.30, 2.49 A)
&rst
ixpk= 1779, nxpk= 20, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1025,1026,
&end
#
# 66 PRO HD- 65 GLY HA+ 3.00 (# 1780:20 Unique 2.30, 3.42 A)
&rst
ixpk= 1780, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1031,1032,
igr2=1025,1026,
&end
#
# 72 GLY HN 72 GLY HA+ 3.00 (# 1781:20 Unique 2.30, 2.59 A)
&rst
ixpk= 1781, nxpk= 20, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1117,1118,
&end
#
# 73 ILE HN 72 GLY HA+ 4.00 (# 1782:20 Unique 3.03, 3.25 A)
&rst
ixpk= 1782, nxpk= 20, iat=1122, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1117,1118,
&end
#
# 71 THR HN 72 GLY HA+ 5.00 (# 1783:20 Unique 4.77, 4.98 A)
&rst
ixpk= 1783, nxpk= 20, iat=1101, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1117,1118,
&end
#
# 29 GLY HN 29 GLY HA+ 3.00 (# 1784:20 Unique 2.55, 2.77 A)
&rst
ixpk= 1784, nxpk= 20, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 425, 426,
&end
#
# 93 ARG HN 92 GLY HA+ 4.00 (# 1785:20 Unique 2.86, 3.21 A)
&rst
ixpk= 1785, nxpk= 20, iat=1416, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1411,1412,
&end
#
# 97 GLY HN 97 GLY HA+ 3.00 (# 1789:20 Unique 2.30, 2.60 A)
&rst
ixpk= 1789, nxpk= 20, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1494,1495,
&end
#
# 98 SER HN 97 GLY HA+ 4.00 (# 1790:20 Unique 3.23, 3.36 A)
&rst
ixpk= 1790, nxpk= 20, iat=1499, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1494,1495,
&end
#
# 94 THR HB 97 GLY HA+ 4.00 (# 1791:20 Unique 2.64, 3.35 A)
&rst
ixpk= 1791, nxpk= 20, iat=1444, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1494,1495,
&end
#
# 94 THR MG2 97 GLY HA+ 5.00 (# 1792:20 Unique 3.43, 4.94 A)
&rst
ixpk= 1792, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1446,1447,1448,
igr2=1494,1495,
&end
#
# 10 THR HN 9 GLY HA- 5.00 (# 1795:20 Unique 2.44, 2.55 A)
&rst
ixpk= 1795, nxpk= 20, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 120, 121,
&end
#
# 90 MET HN 89 GLY HA+ 4.00 (# 1796:20 Unique 2.54, 2.57 A)
&rst
ixpk= 1796, nxpk= 20, iat=1378, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1373,1374,
&end
#
# 89 GLY HN 89 GLY HA+ 3.00 (# 1797:20 Unique 2.30, 2.59 A)
&rst
ixpk= 1797, nxpk= 20, iat=1371, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1373,1374,
&end
#
# 90 MET HN 89 GLY HA- 4.00 (# 1798:20 Unique 2.54, 2.57 A)
&rst
ixpk= 1798, nxpk= 20, iat=1378, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1373,1374,
&end
#
# 89 GLY HN 89 GLY HA- 3.00 (# 1799:20 Unique 2.30, 2.59 A)
&rst
ixpk= 1799, nxpk= 20, iat=1371, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1373,1374,
&end
#
# 95 ILE HN 94 THR HA 3.00 (# 1800:20 Unique 2.40, 2.40 A)
&rst
ixpk= 1800, nxpk= 20, iat=1454,1442, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 94 THR HN 94 THR HA 4.00 (# 1801:20 Unique 2.99, 2.99 A)
&rst
ixpk= 1801, nxpk= 20, iat=1440,1442, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 94 THR HB 94 THR HA 3.00 (# 1802:20 Unique 2.54, 2.54 A)
&rst
ixpk= 1802, nxpk= 20, iat=1444,1442, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:1803 94 THR HA 4.00 (# 1803:20 Single Ambig)
&rst
ixpk= 1803, nxpk= 20, iat= -1,1442, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=1389,1390,1391,1385,1386,
&end
#
# 0 AMB 20-2:1804 94 THR HA 4.00 (# 1804:20 Single Ambig)
&rst
ixpk= 1804, nxpk= 20, iat= -1,1442, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=1420,1421,1516,1517,1518,
&end
#
# 94 THR MG2 94 THR HA 3.00 (# 1805:20 Unique 2.45, 3.03 A)
&rst
ixpk= 1805, nxpk= 20, iat= -1,1442, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1446,1447,1448,
&end
#
# 40 THR HN 39 THR HA 4.00 (# 1806:20 Unique 2.22, 2.22 A)
&rst
ixpk= 1806, nxpk= 20, iat= 615, 603, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 39 THR HN 39 THR HA 4.00 (# 1807:20 Unique 3.01, 3.01 A)
&rst
ixpk= 1807, nxpk= 20, iat= 601, 603, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 39 THR HB 39 THR HA 3.00 (# 1808:20 Unique 2.59, 2.59 A)
&rst
ixpk= 1808, nxpk= 20, iat= 605, 603, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 76 LEU HB+ 39 THR HA 5.00 (# 1809:20 Preassigned 5.13, 6.02 A)
&rst
ixpk= 1809, nxpk= 20, iat= -1, 603, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1171,1172,
&end
#
# 80 ALA MB 39 THR HA 5.00 (# 1810:20 Unique 4.50, 5.41 A)
&rst
ixpk= 1810, nxpk= 20, iat= -1, 603, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1230,1231,1232,
&end
#
# 40 THR MG2 39 THR HA 4.00 (# 1811:20 Unique 5.37, 6.02 A)
&rst
ixpk= 1811, nxpk= 20, iat= -1, 603, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 621, 622, 623,
&end
#
# 100 ILE HN 98 SER HA 4.00 (# 1813:20 Unique 3.66, 3.66 A)
&rst
ixpk= 1813, nxpk= 20, iat=1524,1501, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 99 THR MG2 98 SER HA 5.00 (# 1814:20 Unique 3.68, 4.70 A)
&rst
ixpk= 1814, nxpk= 20, iat= -1,1501, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1516,1517,1518,
&end
#
# 0 AMB 20-2:1816 98 SER HA 3.00 (# 1816:20 Single Ambig)
&rst
ixpk= 1816, nxpk= 20, iat= -1,1501, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1510,1499,
&end
#
# 30 ASP HN 30 ASP HA 4.00 (# 1817:20 Unique 3.01, 3.01 A)
&rst
ixpk= 1817, nxpk= 20, iat= 430, 432, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 31 ARG HN 30 ASP HA 4.00 (# 1818:20 Unique 2.89, 2.89 A)
&rst
ixpk= 1818, nxpk= 20, iat= 442, 432, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 32 TRP HN 30 ASP HA 5.00 (# 1819:20 Unique 5.01, 5.01 A)
&rst
ixpk= 1819, nxpk= 20, iat= 466, 432, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 30 ASP HB+ 30 ASP HA 3.00 (# 1820:20 Unique 2.46, 2.76 A)
&rst
ixpk= 1820, nxpk= 20, iat= -1, 432, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 434, 435,
&end
#
# 30 ASP HB- 30 ASP HA 4.00 (# 1821:20 Unique 2.46, 2.76 A)
&rst
ixpk= 1821, nxpk= 20, iat= -1, 432, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 434, 435,
&end
#
# 0 AMB 20-2:1822 30 ASP HA 6.00 (# 1822:20 Single Ambig)
&rst
ixpk= 1822, nxpk= 20, iat= -1, 432, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 449, 450,1480, 514, 515,
&end
#
# 88 ASN HN 88 ASN HA 4.00 (# 1823:20 Unique 2.99, 2.99 A)
&rst
ixpk= 1823, nxpk= 20, iat=1357,1359, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 60 HIS HB+ 56 LEU HA 5.00 (# 1826:20 Unique 3.47, 3.64 A)
&rst
ixpk= 1826, nxpk= 20, iat= -1, 879, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 943, 944,
&end
#
# 56 LEU HN 56 LEU HA 4.00 (# 1827:20 Unique 2.91, 2.91 A)
&rst
ixpk= 1827, nxpk= 20, iat= 877, 879, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 57 THR HN 56 LEU HA 3.00 (# 1828:20 Unique 2.38, 2.38 A)
&rst
ixpk= 1828, nxpk= 20, iat= 896, 879, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 55 PRO HA 56 LEU HA 5.00 (# 1829:20 Preassigned 4.52, 4.52 A)
&rst
ixpk= 1829, nxpk= 20, iat= 873, 879, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 20-2:1830 56 LEU HA 3.00 (# 1830:20 Single Ambig)
&rst
ixpk= 1830, nxpk= 20, iat= -1, 879, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 886, 887, 888, 890, 891, 892, 881, 882,
&end
#
# 56 LEU HB- 56 LEU HA 4.00 (# 1831:20 Unique 2.62, 2.82 A)
&rst
ixpk= 1831, nxpk= 20, iat= -1, 879, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 881, 882,
&end
#
# 57 THR MG2 56 LEU HA 4.00 (# 1832:20 Unique 3.53, 4.57 A)
&rst
ixpk= 1832, nxpk= 20, iat= -1, 879, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 902, 903, 904,
&end
#
# 0 AMB 20-2:1833 56 LEU HA 5.00 (# 1833:20 Single Ambig)
&rst
ixpk= 1833, nxpk= 20, iat= -1, 879, r1= 1.30, r2= 1.80, r3= 8.86, r4= 9.36,
igr1= 963, 964, 965, 967, 968, 969, 963, 964, 965, 967,
968, 969, 221, 222, 223, 225, 226, 227,1157,1158,
1159,1161,1162,1163,1013,1014,1015,1017,1018,1019,
219,
&end
#
# 56 LEU HG 56 LEU HA 3.00 (# 1834:20 Unique 2.61, 2.61 A)
&rst
ixpk= 1834, nxpk= 20, iat= 884, 879, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 56 LEU MDX 56 LEU HA 3.00 (# 1835:20 Unique 2.12, 3.80 A)
&rst
ixpk= 1835, nxpk= 20, iat= -1, 879, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 886, 887, 888, 890, 891, 892,
&end
#
# 16 LEU HN 16 LEU HB+ 4.00 (# 1836:20 Unique 2.31, 2.43 A)
&rst
ixpk= 1836, nxpk= 20, iat= 212, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 216, 217,
&end
#
# 17 ASN HN 16 LEU HB+ 5.00 (# 1837:20 Unique 2.63, 3.26 A)
&rst
ixpk= 1837, nxpk= 20, iat= 231, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 216, 217,
&end
#
# 16 LEU HN 16 LEU HB- 4.00 (# 1838:20 Unique 2.31, 2.43 A)
&rst
ixpk= 1838, nxpk= 20, iat= 212, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 216, 217,
&end
#
# 16 LEU HA 16 LEU HB+ 4.00 (# 1839:20 Unique 2.43, 2.74 A)
&rst
ixpk= 1839, nxpk= 20, iat= 214, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 216, 217,
&end
#
# 0 AMB 20-2:1841 0 AMB 20-1:1841 3.00 (# 1841:20 Double Ambig)
&rst
ixpk= 1841, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 221, 222, 223, 225, 226, 227, 219,
igr2= 216, 217, 216, 217,
&end
#
# 19 LEU HN 19 LEU HB+ 4.00 (# 1842:20 Unique 2.42, 3.01 A)
&rst
ixpk= 1842, nxpk= 20, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 265, 266,
&end
#
# 19 LEU HA 19 LEU HB+ 4.00 (# 1843:20 Unique 2.51, 2.77 A)
&rst
ixpk= 1843, nxpk= 20, iat= 263, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 265, 266,
&end
#
# 0 AMB 20-2:1845 0 AMB 20-1:1845 3.00 (# 1845:20 Double Ambig)
&rst
ixpk= 1845, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 270, 271, 272, 274, 275, 276, 270, 271, 272, 274,
275, 276,
igr2= 265, 266, 265, 266,
&end
#
# 16 LEU HA 16 LEU HB- 3.00 (# 1846:20 Unique 2.43, 2.74 A)
&rst
ixpk= 1846, nxpk= 20, iat= 214, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 216, 217,
&end
#
# 0 AMB 20-2:1848 0 AMB 20-1:1848 3.00 (# 1848:20 Double Ambig)
&rst
ixpk= 1848, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1013,1014,1015,1017,1018,1019, 221, 222, 223, 225,
226, 227,
igr2= 265, 266, 265, 266,
&end
#
# 86 LEU HN 85 LEU HB- 5.00 (# 1850:20 Unique 3.01, 3.39 A)
&rst
ixpk= 1850, nxpk= 20, iat=1321, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1306,1307,
&end
#
# 85 LEU HN 85 LEU HB- 4.00 (# 1851:20 Unique 2.13, 2.83 A)
&rst
ixpk= 1851, nxpk= 20, iat=1302, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1306,1307,
&end
#
# 0 AMB 20-2:1852 85 LEU HB- 3.00 (# 1852:20 Single Ambig)
&rst
ixpk= 1852, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1304,1373,1374,
igr2=1306,1307,
&end
#
# 85 LEU MDX 85 LEU HB- 3.00 (# 1853:20 Unique 2.61, 3.58 A)
&rst
ixpk= 1853, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1311,1312,1313,1315,1316,1317,
igr2=1306,1307,
&end
#
# 85 LEU HG 85 LEU HB- 4.00 (# 1854:20 Unique 2.45, 2.47 A)
&rst
ixpk= 1854, nxpk= 20, iat=1309, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1306,1307,
&end
#
# 23 TYR HN 22 LEU HB- 5.00 (# 1855:20 Unique 2.66, 3.05 A)
&rst
ixpk= 1855, nxpk= 20, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 318, 319,
&end
#
# 35 ASN HN 34 LEU HB+ 4.00 (# 1857:20 Unique 4.11, 4.15 A)
&rst
ixpk= 1857, nxpk= 20, iat= 529, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 514, 515,
&end
#
# 34 LEU HN 34 LEU HB+ 4.00 (# 1858:20 Unique 2.16, 2.37 A)
&rst
ixpk= 1858, nxpk= 20, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 514, 515,
&end
#
# 34 LEU HA 34 LEU HB+ 4.00 (# 1859:20 Unique 2.41, 2.74 A)
&rst
ixpk= 1859, nxpk= 20, iat= 512, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 514, 515,
&end
#
# 34 LEU HG 34 LEU HB+ 3.00 (# 1860:20 Unique 2.35, 2.46 A)
&rst
ixpk= 1860, nxpk= 20, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 514, 515,
&end
#
# 34 LEU MDX 34 LEU HB+ 4.00 (# 1861:20 Unique 2.49, 3.55 A)
&rst
ixpk= 1861, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 519, 520, 521, 523, 524, 525,
igr2= 514, 515,
&end
#
# 22 LEU HN 22 LEU HB- 4.00 (# 1862:20 Unique 2.35, 2.97 A)
&rst
ixpk= 1862, nxpk= 20, iat= 314, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 318, 319,
&end
#
# 22 LEU MDX 22 LEU HB- 4.00 (# 1863:20 Unique 2.39, 3.38 A)
&rst
ixpk= 1863, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 323, 324, 325, 327, 328, 329,
igr2= 318, 319,
&end
#
# 22 LEU HA 22 LEU HB- 4.00 (# 1864:20 Unique 2.55, 2.78 A)
&rst
ixpk= 1864, nxpk= 20, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 318, 319,
&end
#
# 35 ASN HN 34 LEU HB- 4.00 (# 1865:20 Unique 4.11, 4.15 A)
&rst
ixpk= 1865, nxpk= 20, iat= 529, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 514, 515,
&end
#
# 34 LEU HN 34 LEU HB- 4.00 (# 1866:20 Unique 2.16, 2.37 A)
&rst
ixpk= 1866, nxpk= 20, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 514, 515,
&end
#
# 86 LEU HN 86 LEU HB+ 4.00 (# 1867:20 Unique 2.44, 3.04 A)
&rst
ixpk= 1867, nxpk= 20, iat=1321, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1325,1326,
&end
#
# 87 GLN HN 86 LEU HB+ 4.00 (# 1868:20 Unique 2.37, 2.91 A)
&rst
ixpk= 1868, nxpk= 20, iat=1340, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1325,1326,
&end
#
# 86 LEU HA 86 LEU HB+ 3.00 (# 1869:20 Unique 2.50, 2.75 A)
&rst
ixpk= 1869, nxpk= 20, iat=1323, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1325,1326,
&end
#
# 44 PHE HE 82 LEU HB- 5.00 (# 1870:20 Unique 2.22, 4.53 A)
&rst
ixpk= 1870, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 684, 688,
igr2=1250,1251,
&end
#
# 86 LEU HN 86 LEU HB- 4.00 (# 1871:20 Unique 2.44, 3.04 A)
&rst
ixpk= 1871, nxpk= 20, iat=1321, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1325,1326,
&end
#
# 87 GLN HN 86 LEU HB- 4.00 (# 1872:20 Unique 2.37, 2.91 A)
&rst
ixpk= 1872, nxpk= 20, iat=1340, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1325,1326,
&end
#
# 86 LEU HA 86 LEU HB- 3.00 (# 1873:20 Unique 2.50, 2.75 A)
&rst
ixpk= 1873, nxpk= 20, iat=1323, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1325,1326,
&end
#
# 47 VAL MGX 86 LEU HB- 5.00 (# 1874:20 Unique 3.35, 5.31 A)
&rst
ixpk= 1874, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 733, 734, 735, 737, 738, 739,
igr2=1325,1326,
&end
#
# 82 LEU HN 82 LEU HB- 4.00 (# 1875:20 Unique 2.18, 2.39 A)
&rst
ixpk= 1875, nxpk= 20, iat=1246, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1250,1251,
&end
#
# 0 AMB 20-2:1876 82 LEU HB- 4.00 (# 1876:20 Single Ambig)
&rst
ixpk= 1876, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1248, 263,
igr2=1250,1251,
&end
#
# 82 LEU MDY 82 LEU HB- 3.00 (# 1877:20 Unique 2.55, 3.59 A)
&rst
ixpk= 1877, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1255,1256,1257,1259,1260,1261,
igr2=1250,1251,
&end
#
# 19 LEU MDY 82 LEU HB- 3.00 (# 1879:20 Unique 2.47, 4.60 A)
&rst
ixpk= 1879, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 270, 271, 272, 274, 275, 276,
igr2=1250,1251,
&end
#
# 67 LEU HA 67 LEU HB+ 3.00 (# 1880:20 Unique 2.50, 2.76 A)
&rst
ixpk= 1880, nxpk= 20, iat=1046, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1048,1049,
&end
#
# 0 AMB 20-2:1881 0 AMB 20-1:1881 3.00 (# 1881:20 Double Ambig)
&rst
ixpk= 1881, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1051,1107,1108,1109,
igr2=1048,1049,1048,1049,
&end
#
# 68 SER HN 67 LEU HB+ 5.00 (# 1882:20 Unique 2.32, 2.86 A)
&rst
ixpk= 1882, nxpk= 20, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1048,1049,
&end
#
# 67 LEU HN 67 LEU HB+ 4.00 (# 1883:20 Unique 2.45, 3.05 A)
&rst
ixpk= 1883, nxpk= 20, iat=1044, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1048,1049,
&end
#
# 67 LEU HN 67 LEU HB- 4.00 (# 1884:20 Unique 2.45, 3.05 A)
&rst
ixpk= 1884, nxpk= 20, iat=1044, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1048,1049,
&end
#
# 67 LEU HA 67 LEU HB- 4.00 (# 1885:20 Unique 2.50, 2.76 A)
&rst
ixpk= 1885, nxpk= 20, iat=1046, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1048,1049,
&end
#
# 0 AMB 20-2:1886 67 LEU HB- 3.00 (# 1886:20 Single Ambig)
&rst
ixpk= 1886, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1051,1107,1108,1109,
igr2=1048,1049,
&end
#
# 0 AMB 20-2:1888 0 AMB 20-1:1888 3.00 (# 1888:20 Double Ambig)
&rst
ixpk= 1888, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 251, 252, 253, 255, 256, 257,1053,1054,1055,1057,
1058,1059,1552,1553,1554,1556,1557,1558,
igr2=1547,1548,1048,1049,
&end
#
# 101 LEU HN 101 LEU HB- 4.00 (# 1889:20 Unique 2.58, 3.10 A)
&rst
ixpk= 1889, nxpk= 20, iat=1543, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1547,1548,
&end
#
# 101 LEU HA 101 LEU HB- 4.00 (# 1890:20 Unique 2.42, 2.71 A)
&rst
ixpk= 1890, nxpk= 20, iat=1545, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1547,1548,
&end
#
# 33 PHE HE 33 PHE HB- 5.00 (# 1891:20 Unique 4.70, 5.10 A)
&rst
ixpk= 1891, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 500, 504,
igr2= 494, 495,
&end
#
# 33 PHE HD 33 PHE HB- 4.00 (# 1892:20 Unique 2.39, 3.06 A)
&rst
ixpk= 1892, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 498, 506,
igr2= 494, 495,
&end
#
# 33 PHE HA 33 PHE HB- 3.00 (# 1893:20 Unique 2.44, 2.49 A)
&rst
ixpk= 1893, nxpk= 20, iat= 492, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 494, 495,
&end
#
# 85 LEU MDY 33 PHE HB- 4.00 (# 1894:20 Unique 2.28, 4.19 A)
&rst
ixpk= 1894, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1311,1312,1313,1315,1316,1317,
igr2= 494, 495,
&end
#
# 85 LEU HG 33 PHE HB- 4.00 (# 1895:20 Unique 4.50, 4.75 A)
&rst
ixpk= 1895, nxpk= 20, iat=1309, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 494, 495,
&end
#
# 94 THR HN 93 ARG HB+ 4.00 (# 1896:20 Unique 2.51, 3.19 A)
&rst
ixpk= 1896, nxpk= 20, iat=1440, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1420,1421,
&end
#
# 93 ARG HN 93 ARG HB+ 4.00 (# 1897:20 Unique 2.02, 2.71 A)
&rst
ixpk= 1897, nxpk= 20, iat=1416, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1420,1421,
&end
#
# 93 ARG HA 93 ARG HB+ 4.00 (# 1898:20 Unique 2.71, 2.84 A)
&rst
ixpk= 1898, nxpk= 20, iat=1418, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1420,1421,
&end
#
# 93 ARG HD- 93 ARG HB+ 4.00 (# 1899:20 Unique 3.17, 3.76 A)
&rst
ixpk= 1899, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1426,1427,
igr2=1420,1421,
&end
#
# 94 THR HN 93 ARG HB- 4.00 (# 1900:20 Unique 2.51, 3.19 A)
&rst
ixpk= 1900, nxpk= 20, iat=1440, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1420,1421,
&end
#
# 93 ARG HN 93 ARG HB- 4.00 (# 1901:20 Unique 2.02, 2.71 A)
&rst
ixpk= 1901, nxpk= 20, iat=1416, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1420,1421,
&end
#
# 93 ARG HA 93 ARG HB- 4.00 (# 1902:20 Unique 2.71, 2.84 A)
&rst
ixpk= 1902, nxpk= 20, iat=1418, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1420,1421,
&end
#
# 93 ARG HD- 93 ARG HB- 4.00 (# 1903:20 Unique 3.17, 3.76 A)
&rst
ixpk= 1903, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1426,1427,
igr2=1420,1421,
&end
#
# 27 ILE HN 27 ILE HG1+ 5.00 (# 1904:20 Unique 2.38, 3.07 A)
&rst
ixpk= 1904, nxpk= 20, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 400, 401,
&end
#
# 27 ILE HA 27 ILE HG1+ 4.00 (# 1905:20 Unique 2.54, 2.60 A)
&rst
ixpk= 1905, nxpk= 20, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 400, 401,
&end
#
# 71 THR MG2 27 ILE HG1+ 4.00 (# 1906:20 Unique 2.33, 2.92 A)
&rst
ixpk= 1906, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1107,1108,1109,
igr2= 400, 401,
&end
#
# 27 ILE QD1 27 ILE HG1+ 3.00 (# 1907:20 Unique 2.48, 2.67 A)
&rst
ixpk= 1907, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 403, 404, 405,
igr2= 400, 401,
&end
#
# 27 ILE HB 27 ILE HG1+ 4.00 (# 1908:20 Unique 2.49, 2.74 A)
&rst
ixpk= 1908, nxpk= 20, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 400, 401,
&end
#
# 104 GLU HN 104 GLU HB- 4.00 (# 1909:20 Unique 2.42, 3.02 A)
&rst
ixpk= 1909, nxpk= 20, iat=1589, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1593,1594,
&end
#
# 104 GLU HA 104 GLU HB- 4.00 (# 1910:20 Unique 2.46, 2.75 A)
&rst
ixpk= 1910, nxpk= 20, iat=1591, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1593,1594,
&end
#
# 18 VAL HA 102 GLU HB- 6.00 (# 1911:20 Unique 4.70, 5.27 A)
&rst
ixpk= 1911, nxpk= 20, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1566,1567,
&end
#
# 102 GLU HG+ 102 GLU HB- 3.00 (# 1912:20 Unique 2.32, 2.61 A)
&rst
ixpk= 1912, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1569,1570,
igr2=1566,1567,
&end
#
# 102 GLU HA 102 GLU HB- 4.00 (# 1913:20 Unique 2.39, 2.70 A)
&rst
ixpk= 1913, nxpk= 20, iat=1564, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1566,1567,
&end
#
# 102 GLU HA 102 GLU HB+ 4.00 (# 1914:20 Unique 2.39, 2.70 A)
&rst
ixpk= 1914, nxpk= 20, iat=1564, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1566,1567,
&end
#
# 102 GLU HG+ 102 GLU HB+ 3.00 (# 1915:20 Unique 2.32, 2.61 A)
&rst
ixpk= 1915, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1569,1570,
igr2=1566,1567,
&end
#
# 63 ILE HA 63 ILE HG1+ 3.00 (# 1917:20 Unique 2.82, 2.86 A)
&rst
ixpk= 1917, nxpk= 20, iat= 987, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 995, 996,
&end
#
# 63 ILE QD1 63 ILE HG1+ 3.00 (# 1918:20 Unique 2.48, 2.67 A)
&rst
ixpk= 1918, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 998, 999,1000,
igr2= 995, 996,
&end
#
# 63 ILE HN 63 ILE HG1+ 4.00 (# 1919:20 Unique 2.09, 2.83 A)
&rst
ixpk= 1919, nxpk= 20, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 995, 996,
&end
#
# 95 ILE HA 95 ILE HG1- 4.00 (# 1920:20 Unique 2.53, 2.74 A)
&rst
ixpk= 1920, nxpk= 20, iat=1456, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1464,1465,
&end
#
# 32 TRP HE1 95 ILE HG1- 5.00 (# 1921:20 Unique 2.04, 2.49 A)
&rst
ixpk= 1921, nxpk= 20, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1464,1465,
&end
#
# 32 TRP HZ2 95 ILE HG1- 4.00 (# 1922:20 Unique 2.55, 2.80 A)
&rst
ixpk= 1922, nxpk= 20, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1464,1465,
&end
#
# 95 ILE QD1 95 ILE HG1- 4.00 (# 1923:20 Unique 2.48, 2.67 A)
&rst
ixpk= 1923, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1467,1468,1469,
igr2=1464,1465,
&end
#
# 64 LEU HN 64 LEU MDX 4.00 (# 1924:20 Unique 3.42, 4.39 A)
&rst
ixpk= 1924, nxpk= 20, iat=1004, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1013,1014,1015,1017,1018,1019,
&end
#
# 0 AMB 20-2:1925 64 LEU MDX 4.00 (# 1925:20 Single Ambig)
&rst
ixpk= 1925, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1006,1153,
igr2=1013,1014,1015,1017,1018,1019,
&end
#
# 0 AMB 20-2:1926 64 LEU MDX 4.00 (# 1926:20 Single Ambig)
&rst
ixpk= 1926, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 214,1031,1032,
igr2=1013,1014,1015,1017,1018,1019,
&end
#
# 61 VAL HA 64 LEU MDX 4.00 (# 1927:20 Unique 2.53, 4.88 A)
&rst
ixpk= 1927, nxpk= 20, iat= 959, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1013,1014,1015,1017,1018,1019,
&end
#
# 19 LEU HB- 64 LEU MDX 4.00 (# 1928:20 Unique 2.83, 3.69 A)
&rst
ixpk= 1928, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 265, 266,
igr2=1013,1014,1015,1017,1018,1019,
&end
#
# 64 LEU HB+ 64 LEU MDX 3.00 (# 1929:20 Unique 2.38, 3.30 A)
&rst
ixpk= 1929, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1008,1009,
igr2=1013,1014,1015,1017,1018,1019,
&end
#
# 64 LEU HG 64 LEU MDX 3.00 (# 1930:20 Preassigned 2.42, 2.65 A)
&rst
ixpk= 1930, nxpk= 20, iat=1011, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1013,1014,1015,1017,1018,1019,
&end
#
# 64 LEU HB- 64 LEU MDX 3.00 (# 1931:20 Preassigned 2.38, 3.30 A)
&rst
ixpk= 1931, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1008,1009,
igr2=1013,1014,1015,1017,1018,1019,
&end
#
# 75 VAL MGY 64 LEU MDX 3.00 (# 1932:20 Unique 2.28, 4.80 A)
&rst
ixpk= 1932, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1157,1158,1159,1161,1162,1163,
igr2=1013,1014,1015,1017,1018,1019,
&end
#
# 19 LEU MDX 64 LEU MDX 3.00 (# 1933:20 Preassigned 2.60, 5.47 A)
&rst
ixpk= 1933, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 270, 271, 272, 274, 275, 276,
igr2=1013,1014,1015,1017,1018,1019,
&end
#
# 0 AMB 20-2:1934 19 LEU MDX 5.00 (# 1934:20 Single Ambig)
&rst
ixpk= 1934, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 202,1153,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 16 LEU HA 19 LEU MDX 4.00 (# 1935:20 Unique 2.58, 4.89 A)
&rst
ixpk= 1935, nxpk= 20, iat= 214, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 79 CYS HA 19 LEU MDX 5.00 (# 1936:20 Unique 2.48, 3.95 A)
&rst
ixpk= 1936, nxpk= 20, iat=1217, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 19 LEU HB- 19 LEU MDX 3.00 (# 1937:20 Unique 2.42, 3.32 A)
&rst
ixpk= 1937, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 265, 266,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 82 LEU HB+ 19 LEU MDX 5.00 (# 1938:20 Unique 2.47, 4.60 A)
&rst
ixpk= 1938, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1250,1251,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 19 LEU HG 19 LEU MDX 3.00 (# 1939:20 Unique 2.45, 2.66 A)
&rst
ixpk= 1939, nxpk= 20, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 0 AMB 20-2:1940 19 LEU MDX 3.00 (# 1940:20 Single Ambig)
&rst
ixpk= 1940, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 204, 205, 206, 318, 319,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 19 LEU HB+ 19 LEU MDX 3.00 (# 1941:20 Preassigned 2.42, 3.32 A)
&rst
ixpk= 1941, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 265, 266,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 0 AMB 20-2:1942 19 LEU MDX 3.00 (# 1942:20 Single Ambig)
&rst
ixpk= 1942, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1013,1014,1015,1017,1018,1019,1255,1256,1257,1259,
1260,1261,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 19 LEU HN 19 LEU MDX 4.00 (# 1943:20 Unique 3.67, 4.37 A)
&rst
ixpk= 1943, nxpk= 20, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 19 LEU HA 19 LEU MDX 5.00 (# 1944:20 Unique 2.22, 3.90 A)
&rst
ixpk= 1944, nxpk= 20, iat= 263, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 26 VAL HA 31 ARG HG- 6.00 (# 1945:20 Unique 3.84, 4.39 A)
&rst
ixpk= 1945, nxpk= 20, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 449, 450,
&end
#
# 67 LEU MDY 67 LEU HG 3.00 (# 1946:20 Unique 2.43, 2.65 A)
&rst
ixpk= 1946, nxpk= 20, iat= -1,1051, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1053,1054,1055,1057,1058,1059,
&end
#
# 25 ALA HA 96 LEU HG 3.00 (# 1948:20 Unique 2.45, 2.45 A)
&rst
ixpk= 1948, nxpk= 20, iat= 366,1480, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 31 ARG HB+ 31 ARG HG+ 3.00 (# 1949:20 Unique 2.40, 2.75 A)
&rst
ixpk= 1949, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 446, 447,
igr2= 449, 450,
&end
#
# 26 VAL HA 31 ARG HG+ 6.00 (# 1950:20 Unique 3.84, 4.39 A)
&rst
ixpk= 1950, nxpk= 20, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 449, 450,
&end
#
# 0 AMB 20-2:1951 31 ARG HG- 4.00 (# 1951:20 Single Ambig)
&rst
ixpk= 1951, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 442, 374,
igr2= 449, 450,
&end
#
# 67 LEU HN 67 LEU HG 5.00 (# 1952:20 Unique 2.43, 2.43 A)
&rst
ixpk= 1952, nxpk= 20, iat=1044,1051, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 67 LEU MDX 67 LEU HG 3.00 (# 1953:20 Unique 2.43, 2.65 A)
&rst
ixpk= 1953, nxpk= 20, iat= -1,1051, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1053,1054,1055,1057,1058,1059,
&end
#
# 67 LEU HA 67 LEU HG 4.00 (# 1954:20 Unique 3.02, 3.02 A)
&rst
ixpk= 1954, nxpk= 20, iat=1046,1051, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 96 LEU MDX 96 LEU HG 3.00 (# 1955:20 Unique 2.45, 2.66 A)
&rst
ixpk= 1955, nxpk= 20, iat= -1,1480, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1482,1483,1484,1486,1487,1488,
&end
#
# 96 LEU MDY 96 LEU HG 3.00 (# 1956:20 Unique 2.45, 2.66 A)
&rst
ixpk= 1956, nxpk= 20, iat= -1,1480, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1482,1483,1484,1486,1487,1488,
&end
#
# 93 ARG HN 93 ARG HG+ 3.00 (# 1958:20 Unique 3.02, 3.46 A)
&rst
ixpk= 1958, nxpk= 20, iat=1416, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1423,1424,
&end
#
# 53 TYR HE 82 LEU HG 5.00 (# 1960:20 Unique 4.68, 6.13 A)
&rst
ixpk= 1960, nxpk= 20, iat= -1,1253, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 837, 842,
&end
#
# 0 AMB 20-2:1961 82 LEU HG 4.00 (# 1961:20 Single Ambig)
&rst
ixpk= 1961, nxpk= 20, iat= -1,1253, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1248, 263,
&end
#
# 93 ARG HD- 93 ARG HG+ 3.00 (# 1962:20 Unique 2.41, 2.60 A)
&rst
ixpk= 1962, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1426,1427,
igr2=1423,1424,
&end
#
# 0 AMB 20-2:1963 82 LEU HG 5.00 (# 1963:20 Single Ambig)
&rst
ixpk= 1963, nxpk= 20, iat= -1,1253, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1246,1321,
&end
#
# 94 THR HN 93 ARG HG+ 5.00 (# 1964:20 Preassigned 4.13, 4.23 A)
&rst
ixpk= 1964, nxpk= 20, iat=1440, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1423,1424,
&end
#
# 0 AMB 20-2:1966 0 AMB 20-1:1966 5.00 (# 1966:20 Double Ambig)
&rst
ixpk= 1966, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1217,1411,1412, 200,
igr2=1253,1423,1424,
&end
#
# 18 VAL HB 82 LEU HG 6.00 (# 1967:20 Unique 3.57, 3.57 A)
&rst
ixpk= 1967, nxpk= 20, iat= 249,1253, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 82 LEU HB+ 82 LEU HG 3.00 (# 1968:20 Unique 2.44, 2.44 A)
&rst
ixpk= 1968, nxpk= 20, iat= -1,1253, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1250,1251,
&end
#
# 82 LEU MDY 82 LEU HG 3.00 (# 1969:20 Unique 2.37, 2.64 A)
&rst
ixpk= 1969, nxpk= 20, iat= -1,1253, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1255,1256,1257,1259,1260,1261,
&end
#
# 0 AMB 20-2:1970 82 LEU HG 5.00 (# 1970:20 Single Ambig)
&rst
ixpk= 1970, nxpk= 20, iat= -1,1253, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 270, 271, 272, 274, 275, 276, 270, 271, 272, 274,
275, 276,
&end
#
# 86 LEU MDY 82 LEU HG 5.00 (# 1971:20 Preassigned 5.14, 6.04 A)
&rst
ixpk= 1971, nxpk= 20, iat= -1,1253, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1330,1331,1332,1334,1335,1336,
&end
#
# 73 ILE HB 73 ILE HG1- 5.00 (# 1974:20 Unique 2.69, 2.85 A)
&rst
ixpk= 1974, nxpk= 20, iat=1126, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1132,1133,
&end
#
# 35 ASN HA 36 ARG HG+ 4.00 (# 1975:20 Unique 6.12, 6.26 A)
&rst
ixpk= 1975, nxpk= 20, iat= 531, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 550, 551,
&end
#
# 36 ARG HA 36 ARG HG+ 4.00 (# 1976:20 Unique 2.18, 2.79 A)
&rst
ixpk= 1976, nxpk= 20, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 550, 551,
&end
#
# 36 ARG HD+ 36 ARG HG+ 3.00 (# 1977:20 Unique 2.41, 2.77 A)
&rst
ixpk= 1977, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 553, 554,
igr2= 550, 551,
&end
#
# 36 ARG HB+ 36 ARG HG+ 3.00 (# 1978:20 Unique 2.26, 2.67 A)
&rst
ixpk= 1978, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 547, 548,
igr2= 550, 551,
&end
#
# 36 ARG HB- 36 ARG HG+ 3.00 (# 1979:20 Unique 2.26, 2.67 A)
&rst
ixpk= 1979, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 547, 548,
igr2= 550, 551,
&end
#
# 73 ILE HN 73 ILE HG1+ 4.00 (# 1980:20 Unique 3.29, 3.89 A)
&rst
ixpk= 1980, nxpk= 20, iat=1122, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1132,1133,
&end
#
# 73 ILE HA 73 ILE HG1+ 4.00 (# 1981:20 Unique 2.41, 2.61 A)
&rst
ixpk= 1981, nxpk= 20, iat=1124, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1132,1133,
&end
#
# 71 THR HB 73 ILE HG1+ 5.00 (# 1982:20 Unique 4.05, 4.50 A)
&rst
ixpk= 1982, nxpk= 20, iat=1105, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1132,1133,
&end
#
# 0 AMB 20-2:1983 0 AMB 20-1:1983 4.00 (# 1983:20 Double Ambig)
&rst
ixpk= 1983, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 181,1117,1118,
igr2= 189, 190,1132,1133,
&end
#
# 0 AMB 20-2:1984 0 AMB 20-1:1984 4.00 (# 1984:20 Double Ambig)
&rst
ixpk= 1984, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 183,1126,
igr2= 189, 190,1132,1133,
&end
#
# 0 AMB 20-2:1985 0 AMB 20-1:1985 3.00 (# 1985:20 Double Ambig)
&rst
ixpk= 1985, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1=1128,1129,1130,1135,1136,1137, 185, 186, 187,
igr2=1132,1133,1132,1133, 189, 190,
&end
#
# 14 ILE HN 14 ILE HG1+ 4.00 (# 1986:20 Unique 2.16, 2.78 A)
&rst
ixpk= 1986, nxpk= 20, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 189, 190,
&end
#
# 57 THR HN 56 LEU HG 5.00 (# 1987:20 Unique 1.95, 1.95 A)
&rst
ixpk= 1987, nxpk= 20, iat= 896, 884, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 20-2:1988 56 LEU HG 5.00 (# 1988:20 Single Ambig)
&rst
ixpk= 1988, nxpk= 20, iat= -1, 884, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 684, 688, 682, 690,
&end
#
# 56 LEU HA 56 LEU HG 4.00 (# 1989:20 Unique 2.61, 2.61 A)
&rst
ixpk= 1989, nxpk= 20, iat= 879, 884, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 15 THR HB 56 LEU HG 6.00 (# 1990:20 Preassigned 5.45, 5.45 A)
&rst
ixpk= 1990, nxpk= 20, iat= 202, 884, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 60 HIS HB+ 56 LEU HG 4.00 (# 1991:20 Unique 2.36, 2.67 A)
&rst
ixpk= 1991, nxpk= 20, iat= -1, 884, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 943, 944,
&end
#
# 60 HIS HB- 56 LEU HG 5.00 (# 1992:20 Unique 2.36, 2.67 A)
&rst
ixpk= 1992, nxpk= 20, iat= -1, 884, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 943, 944,
&end
#
# 0 AMB 20-2:1993 56 LEU HG 3.00 (# 1993:20 Single Ambig)
&rst
ixpk= 1993, nxpk= 20, iat= -1, 884, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 886, 887, 888, 890, 891, 892, 881, 882,
&end
#
# 56 LEU HB- 56 LEU HG 3.00 (# 1994:20 Unique 2.59, 2.81 A)
&rst
ixpk= 1994, nxpk= 20, iat= -1, 884, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 881, 882,
&end
#
# 22 LEU HN 22 LEU MDY 5.00 (# 1996:20 Unique 3.58, 4.57 A)
&rst
ixpk= 1996, nxpk= 20, iat= 314, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 82 LEU HN 22 LEU MDY 5.00 (# 1997:20 Unique 3.50, 5.25 A)
&rst
ixpk= 1997, nxpk= 20, iat=1246, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 21 TRP HD1 22 LEU MDY 6.00 (# 1998:20 Preassigned 6.46, 8.58 A)
&rst
ixpk= 1998, nxpk= 20, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 0 AMB 20-2:1999 22 LEU MDY 3.00 (# 1999:20 Single Ambig)
&rst
ixpk= 1999, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1248, 263,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 22 LEU HA 22 LEU MDY 5.00 (# 2000:20 Unique 2.09, 3.71 A)
&rst
ixpk= 2000, nxpk= 20, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 0 AMB 20-2:2001 22 LEU MDY 5.00 (# 2001:20 Single Ambig)
&rst
ixpk= 2001, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 265, 266,1291,1292,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 0 AMB 20-2:2002 22 LEU MDY 3.00 (# 2002:20 Single Ambig)
&rst
ixpk= 2002, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1250,1251, 321,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 81 ALA MB 22 LEU MDY 5.00 (# 2003:20 Unique 3.40, 5.60 A)
&rst
ixpk= 2003, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1240,1241,1242,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 22 LEU HB- 22 LEU MDY 3.00 (# 2004:20 Unique 2.39, 3.38 A)
&rst
ixpk= 2004, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 318, 319,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 82 LEU HB- 22 LEU MDY 3.00 (# 2005:20 Unique 2.37, 5.28 A)
&rst
ixpk= 2005, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1250,1251,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 0 AMB 20-2:2006 22 LEU MDY 4.00 (# 2006:20 Single Ambig)
&rst
ixpk= 2006, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1209,1210,1211,1013,1014,1015,1017,1018,1019,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 85 LEU HG 22 LEU MDY 5.00 (# 2007:20 Unique 2.92, 3.96 A)
&rst
ixpk= 2007, nxpk= 20, iat=1309, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 100 ILE HN 100 ILE HG1- 4.00 (# 2009:20 Unique 2.42, 2.61 A)
&rst
ixpk= 2009, nxpk= 20, iat=1524, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1534,1535,
&end
#
# 100 ILE HN 100 ILE HG1+ 4.00 (# 2010:20 Unique 2.42, 2.61 A)
&rst
ixpk= 2010, nxpk= 20, iat=1524, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1534,1535,
&end
#
# 101 LEU HN 101 LEU MDY 4.00 (# 2011:20 Unique 3.14, 4.14 A)
&rst
ixpk= 2011, nxpk= 20, iat=1543, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1552,1553,1554,1556,1557,1558,
&end
#
# 0 AMB 20-2:2012 101 LEU MDY 5.00 (# 2012:20 Single Ambig)
&rst
ixpk= 2012, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1323, 316, 294, 295,
igr2=1552,1553,1554,1556,1557,1558,
&end
#
# 0 AMB 20-2:2013 101 LEU MDY 5.00 (# 2013:20 Single Ambig)
&rst
ixpk= 2013, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1389,1390,1391, 321,
igr2=1552,1553,1554,1556,1557,1558,
&end
#
# 0 AMB 20-2:2014 101 LEU MDY 3.00 (# 2014:20 Single Ambig)
&rst
ixpk= 2014, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1=1550,1311,1312,1313,1315,1316,1317,1547,1548,
igr2=1552,1553,1554,1556,1557,1558,
&end
#
# 82 LEU MDY 101 LEU MDY 4.00 (# 2015:20 Unique 3.16, 5.34 A)
&rst
ixpk= 2015, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1=1255,1256,1257,1259,1260,1261,
igr2=1552,1553,1554,1556,1557,1558,
&end
#
# 0 AMB 20-2:2016 101 LEU MDY 3.00 (# 2016:20 Single Ambig)
&rst
ixpk= 2016, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1306,1307,1547,1548, 251, 252, 253, 255, 256, 257,
igr2=1552,1553,1554,1556,1557,1558,
&end
#
# 85 LEU HG 101 LEU MDY 6.00 (# 2017:20 Unique 3.10, 4.38 A)
&rst
ixpk= 2017, nxpk= 20, iat=1309, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1552,1553,1554,1556,1557,1558,
&end
#
# 86 LEU MDX 101 LEU MDY 4.00 (# 2018:20 Unique 3.27, 6.84 A)
&rst
ixpk= 2018, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1=1330,1331,1332,1334,1335,1336,
igr2=1552,1553,1554,1556,1557,1558,
&end
#
# 0 AMB 20-2:2019 101 LEU MDY 6.00 (# 2019:20 Single Ambig)
&rst
ixpk= 2019, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.66, r4=12.16,
igr1=1330,1331,1332,1334,1335,1336,1460,1461,1462,
igr2=1552,1553,1554,1556,1557,1558,
&end
#
# 86 LEU HN 86 LEU HG 5.00 (# 2020:20 Unique 2.42, 2.42 A)
&rst
ixpk= 2020, nxpk= 20, iat=1321,1328, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 86 LEU HA 86 LEU HG 4.00 (# 2021:20 Unique 3.12, 3.12 A)
&rst
ixpk= 2021, nxpk= 20, iat=1323,1328, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 86 LEU MDX 86 LEU HG 3.00 (# 2022:20 Unique 2.43, 2.65 A)
&rst
ixpk= 2022, nxpk= 20, iat= -1,1328, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1330,1331,1332,1334,1335,1336,
&end
#
# 86 LEU MDY 86 LEU HG 3.00 (# 2023:20 Unique 2.43, 2.65 A)
&rst
ixpk= 2023, nxpk= 20, iat= -1,1328, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1330,1331,1332,1334,1335,1336,
&end
#
# 0 AMB 20-2:2024 100 ILE HG1- 5.00 (# 2024:20 Single Ambig)
&rst
ixpk= 2024, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1526,1514,
igr2=1534,1535,
&end
#
# 16 LEU HA 16 LEU HG 4.00 (# 2026:20 Unique 2.95, 2.95 A)
&rst
ixpk= 2026, nxpk= 20, iat= 214, 219, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 60 HIS HD2 16 LEU HG 5.00 (# 2027:20 Unique 4.60, 4.60 A)
&rst
ixpk= 2027, nxpk= 20, iat= 953, 219, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 26 VAL MGY 34 LEU HG 4.00 (# 2028:20 Unique 3.20, 4.01 A)
&rst
ixpk= 2028, nxpk= 20, iat= -1, 517, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 380, 381, 382, 384, 385, 386,
&end
#
# 0 AMB 20-2:2029 85 LEU HG 5.00 (# 2029:20 Single Ambig)
&rst
ixpk= 2029, nxpk= 20, iat= -1,1309, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1321,1246,
&end
#
# 84 GLU HN 85 LEU HG 6.00 (# 2031:20 Preassigned 6.42, 6.42 A)
&rst
ixpk= 2031, nxpk= 20, iat=1287,1309, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 33 PHE HE 85 LEU HG 6.00 (# 2032:20 Unique 5.64, 6.21 A)
&rst
ixpk= 2032, nxpk= 20, iat= -1,1309, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 500, 504,
&end
#
# 33 PHE HB+ 85 LEU HG 4.00 (# 2034:20 Preassigned 4.50, 4.75 A)
&rst
ixpk= 2034, nxpk= 20, iat= -1,1309, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 494, 495,
&end
#
# 85 LEU HB+ 85 LEU HG 3.00 (# 2035:20 Unique 2.45, 2.47 A)
&rst
ixpk= 2035, nxpk= 20, iat= -1,1309, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1306,1307,
&end
#
# 85 LEU MDX 85 LEU HG 3.00 (# 2036:20 Unique 2.31, 2.61 A)
&rst
ixpk= 2036, nxpk= 20, iat= -1,1309, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1311,1312,1313,1315,1316,1317,
&end
#
# 85 LEU HB- 85 LEU HG 3.00 (# 2037:20 Unique 2.45, 2.47 A)
&rst
ixpk= 2037, nxpk= 20, iat= -1,1309, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1306,1307,
&end
#
# 85 LEU MDY 85 LEU HG 3.00 (# 2038:20 Preassigned 2.31, 2.61 A)
&rst
ixpk= 2038, nxpk= 20, iat= -1,1309, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1311,1312,1313,1315,1316,1317,
&end
#
# 95 ILE QD1 85 LEU HG 5.00 (# 2039:20 Unique 3.39, 3.51 A)
&rst
ixpk= 2039, nxpk= 20, iat= -1,1309, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1467,1468,1469,
&end
#
# 22 LEU MDX 85 LEU HG 4.00 (# 2040:20 Unique 2.92, 3.96 A)
&rst
ixpk= 2040, nxpk= 20, iat= -1,1309, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 323, 324, 325, 327, 328, 329,
&end
#
# 60 HIS HB+ 56 LEU MDX 4.00 (# 2041:20 Unique 2.12, 3.88 A)
&rst
ixpk= 2041, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 943, 944,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 56 LEU HN 56 LEU MDX 5.00 (# 2042:20 Unique 4.30, 5.02 A)
&rst
ixpk= 2042, nxpk= 20, iat= 877, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 57 THR HN 56 LEU MDX 5.00 (# 2043:20 Unique 3.30, 4.20 A)
&rst
ixpk= 2043, nxpk= 20, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 44 PHE HD 56 LEU MDX 6.00 (# 2044:20 Unique 3.43, 6.44 A)
&rst
ixpk= 2044, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 682, 690,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 56 LEU HA 56 LEU MDX 4.00 (# 2045:20 Unique 2.12, 3.80 A)
&rst
ixpk= 2045, nxpk= 20, iat= 879, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 15 THR HB 56 LEU MDX 5.00 (# 2046:20 Unique 3.02, 4.74 A)
&rst
ixpk= 2046, nxpk= 20, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 60 HIS HB- 56 LEU MDX 4.00 (# 2047:20 Unique 2.12, 3.88 A)
&rst
ixpk= 2047, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 943, 944,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 0 AMB 20-2:2049 56 LEU MDX 3.00 (# 2049:20 Single Ambig)
&rst
ixpk= 2049, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 636, 881, 882,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 15 THR MG2 56 LEU MDX 4.00 (# 2050:20 Unique 2.49, 4.87 A)
&rst
ixpk= 2050, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 204, 205, 206,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 0 AMB 20-2:2051 56 LEU MDX 3.00 (# 2051:20 Single Ambig)
&rst
ixpk= 2051, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr1=1157,1158,1159,1161,1162,1163, 963, 964, 965, 967,
968, 969, 963, 964, 965, 967, 968, 969, 221, 222,
223, 225, 226, 227,1013,1014,1015,1017,1018,1019,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 41 LEU HN 76 LEU MDX 5.00 (# 2053:20 Unique 2.80, 4.25 A)
&rst
ixpk= 2053, nxpk= 20, iat= 629, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1176,1177,1178,1180,1181,1182,
&end
#
# 76 LEU HN 76 LEU MDX 4.00 (# 2054:20 Unique 2.25, 3.73 A)
&rst
ixpk= 2054, nxpk= 20, iat=1167, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1176,1177,1178,1180,1181,1182,
&end
#
# 0 AMB 20-2:2056 76 LEU MDX 5.00 (# 2056:20 Single Ambig)
&rst
ixpk= 2056, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 631, 605,
igr2=1176,1177,1178,1180,1181,1182,
&end
#
# 76 LEU HA 76 LEU MDX 4.00 (# 2057:20 Unique 2.26, 3.32 A)
&rst
ixpk= 2057, nxpk= 20, iat=1169, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1176,1177,1178,1180,1181,1182,
&end
#
# 0 AMB 20-2:2058 76 LEU MDX 3.00 (# 2058:20 Single Ambig)
&rst
ixpk= 2058, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1174,1171,1172,
igr2=1176,1177,1178,1180,1181,1182,
&end
#
# 40 THR MG2 76 LEU MDX 5.00 (# 2061:20 Unique 4.04, 6.29 A)
&rst
ixpk= 2061, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 621, 622, 623,
igr2=1176,1177,1178,1180,1181,1182,
&end
#
# 46 LEU HN 46 LEU MDX 4.00 (# 2062:20 Unique 3.75, 4.52 A)
&rst
ixpk= 2062, nxpk= 20, iat= 708, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 717, 718, 719, 721, 722, 723,
&end
#
# 43 ASP HA 46 LEU MDX 3.00 (# 2063:20 Unique 2.58, 4.85 A)
&rst
ixpk= 2063, nxpk= 20, iat= 664, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 717, 718, 719, 721, 722, 723,
&end
#
# 46 LEU HA 46 LEU MDX 4.00 (# 2064:20 Unique 2.13, 3.84 A)
&rst
ixpk= 2064, nxpk= 20, iat= 710, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 717, 718, 719, 721, 722, 723,
&end
#
# 0 AMB 20-2:2065 46 LEU MDX 3.00 (# 2065:20 Single Ambig)
&rst
ixpk= 2065, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 712, 713, 715,
igr2= 717, 718, 719, 721, 722, 723,
&end
#
# 0 AMB 20-2:2066 0 AMB 20-1:2066 3.00 (# 2066:20 Double Ambig)
&rst
ixpk= 2066, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 712, 713, 780, 781, 780, 781,
igr2= 717, 718, 719, 721, 722, 723, 777, 778,
&end
#
# 67 LEU HN 67 LEU MDX 5.00 (# 2067:20 Preassigned 3.83, 4.47 A)
&rst
ixpk= 2067, nxpk= 20, iat=1044, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1053,1054,1055,1057,1058,1059,
&end
#
# 67 LEU HA 67 LEU MDX 3.00 (# 2068:20 Unique 2.12, 3.81 A)
&rst
ixpk= 2068, nxpk= 20, iat=1046, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1053,1054,1055,1057,1058,1059,
&end
#
# 23 TYR HB+ 67 LEU MDX 4.00 (# 2069:20 Unique 2.36, 4.09 A)
&rst
ixpk= 2069, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 337, 338,
igr2=1053,1054,1055,1057,1058,1059,
&end
#
# 0 AMB 20-2:2070 67 LEU MDX 3.00 (# 2070:20 Single Ambig)
&rst
ixpk= 2070, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1051, 284, 285, 286,
igr2=1053,1054,1055,1057,1058,1059,
&end
#
# 50 LYS HN 50 LYS HG+ 5.00 (# 2072:20 Unique 2.20, 2.85 A)
&rst
ixpk= 2072, nxpk= 20, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 777, 778,
&end
#
# 50 LYS HA 50 LYS HG+ 5.00 (# 2073:20 Unique 2.58, 2.79 A)
&rst
ixpk= 2073, nxpk= 20, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 777, 778,
&end
#
# 50 LYS HE+ 50 LYS HG+ 4.00 (# 2074:20 Unique 2.48, 3.27 A)
&rst
ixpk= 2074, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 783, 784,
igr2= 777, 778,
&end
#
# 0 AMB 20-2:2075 0 AMB 20-1:2075 3.00 (# 2075:20 Double Ambig)
&rst
ixpk= 2075, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 780, 781, 780, 781,
igr2= 777, 778, 777, 778,
&end
#
# 50 LYS HE+ 50 LYS HG- 4.00 (# 2076:20 Unique 2.48, 3.27 A)
&rst
ixpk= 2076, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 783, 784,
igr2= 777, 778,
&end
#
# 23 TYR HB- 67 LEU MDX 4.00 (# 2077:20 Unique 2.36, 4.09 A)
&rst
ixpk= 2077, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 337, 338,
igr2=1053,1054,1055,1057,1058,1059,
&end
#
# 0 AMB 20-2:2079 101 LEU MDX 4.00 (# 2079:20 Single Ambig)
&rst
ixpk= 2079, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 305,1543,
igr2=1552,1553,1554,1556,1557,1558,
&end
#
# 101 LEU HA 101 LEU MDX 4.00 (# 2081:20 Unique 2.36, 3.92 A)
&rst
ixpk= 2081, nxpk= 20, iat=1545, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1552,1553,1554,1556,1557,1558,
&end
#
# 0 AMB 20-2:2082 101 LEU MDX 3.00 (# 2082:20 Single Ambig)
&rst
ixpk= 2082, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1306,1307,1547,1548, 251, 252, 253, 255, 256, 257,
igr2=1552,1553,1554,1556,1557,1558,
&end
#
# 25 ALA HN 96 LEU MDX 4.00 (# 2084:20 Unique 2.93, 4.46 A)
&rst
ixpk= 2084, nxpk= 20, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1482,1483,1484,1486,1487,1488,
&end
#
# 21 TRP HD1 96 LEU MDX 5.00 (# 2085:20 Unique 2.92, 4.94 A)
&rst
ixpk= 2085, nxpk= 20, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1482,1483,1484,1486,1487,1488,
&end
#
# 96 LEU HB- 96 LEU MDX 3.00 (# 2086:20 Unique 2.44, 3.31 A)
&rst
ixpk= 2086, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1477,1478,
igr2=1482,1483,1484,1486,1487,1488,
&end
#
# 0 AMB 20-2:2087 96 LEU MDX 3.00 (# 2087:20 Single Ambig)
&rst
ixpk= 2087, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 358, 359, 360, 368, 369, 370,
igr2=1482,1483,1484,1486,1487,1488,
&end
#
# 0 AMB 20-2:2088 0 AMB 20-1:2088 3.00 (# 2088:20 Double Ambig)
&rst
ixpk= 2088, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1278,1279,1278,1279,
igr2=1272,1273,1272,1273,
&end
#
# 50 LYS HB- 50 LYS HG+ 4.00 (# 2089:20 Unique 2.43, 2.75 A)
&rst
ixpk= 2089, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 774, 775,
igr2= 777, 778,
&end
#
# 50 LYS HB+ 50 LYS HG+ 4.00 (# 2090:20 Unique 2.43, 2.75 A)
&rst
ixpk= 2090, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 774, 775,
igr2= 777, 778,
&end
#
# 50 LYS HN 50 LYS HG- 5.00 (# 2091:20 Unique 2.20, 2.85 A)
&rst
ixpk= 2091, nxpk= 20, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 777, 778,
&end
#
# 0 AMB 20-2:2092 101 LEU MDX 5.00 (# 2092:20 Single Ambig)
&rst
ixpk= 2092, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.72, r4=10.22,
igr1=1330,1331,1332,1334,1335,1336,1467,1468,1469,
igr2=1552,1553,1554,1556,1557,1558,
&end
#
# 21 TRP HZ3 101 LEU MDX 5.00 (# 2093:20 Unique 2.05, 3.86 A)
&rst
ixpk= 2093, nxpk= 20, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1552,1553,1554,1556,1557,1558,
&end
#
# 57 THR HA 41 LEU MDY 6.00 (# 2095:20 Unique 2.29, 4.49 A)
&rst
ixpk= 2095, nxpk= 20, iat= 898, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 21 TRP HE1 96 LEU MDX 5.00 (# 2096:20 Unique 2.72, 4.74 A)
&rst
ixpk= 2096, nxpk= 20, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1482,1483,1484,1486,1487,1488,
&end
#
# 25 ALA HA 96 LEU MDX 3.00 (# 2097:20 Unique 2.21, 3.43 A)
&rst
ixpk= 2097, nxpk= 20, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1482,1483,1484,1486,1487,1488,
&end
#
# 16 LEU HN 15 THR MG2 5.00 (# 2098:20 Unique 3.87, 4.42 A)
&rst
ixpk= 2098, nxpk= 20, iat= 212, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 204, 205, 206,
&end
#
# 83 LYS HB+ 83 LYS HG- 3.00 (# 2099:20 Unique 2.48, 2.77 A)
&rst
ixpk= 2099, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1269,1270,
igr2=1272,1273,
&end
#
# 83 LYS HB- 83 LYS HG- 4.00 (# 2100:20 Unique 2.48, 2.77 A)
&rst
ixpk= 2100, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1269,1270,
igr2=1272,1273,
&end
#
# 83 LYS HD+ 83 LYS HG- 3.00 (# 2101:20 Unique 2.44, 2.76 A)
&rst
ixpk= 2101, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1275,1276,
igr2=1272,1273,
&end
#
# 0 AMB 20-2:2102 41 LEU MDX 5.00 (# 2102:20 Single Ambig)
&rst
ixpk= 2102, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 703, 704, 927,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 41 LEU HA 41 LEU MDX 4.00 (# 2103:20 Unique 2.30, 3.81 A)
&rst
ixpk= 2103, nxpk= 20, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 0 AMB 20-2:2104 41 LEU MDX 3.00 (# 2104:20 Single Ambig)
&rst
ixpk= 2104, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 633, 634, 636,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 19 LEU HN 19 LEU MDY 4.00 (# 2106:20 Unique 3.67, 4.37 A)
&rst
ixpk= 2106, nxpk= 20, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 82 LEU HN 19 LEU MDY 5.00 (# 2107:20 Unique 4.10, 5.86 A)
&rst
ixpk= 2107, nxpk= 20, iat=1246, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 44 PHE HE 19 LEU MDY 5.00 (# 2108:20 Unique 2.90, 5.01 A)
&rst
ixpk= 2108, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 684, 688,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 78 MET HA 19 LEU MDY 5.00 (# 2109:20 Preassigned 4.62, 6.31 A)
&rst
ixpk= 2109, nxpk= 20, iat=1200, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 19 LEU HA 19 LEU MDY 3.00 (# 2110:20 Unique 2.22, 3.90 A)
&rst
ixpk= 2110, nxpk= 20, iat= 263, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 79 CYS HA 19 LEU MDY 4.00 (# 2111:20 Unique 2.48, 3.95 A)
&rst
ixpk= 2111, nxpk= 20, iat=1217, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 19 LEU HB- 19 LEU MDY 3.00 (# 2112:20 Unique 2.42, 3.32 A)
&rst
ixpk= 2112, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 265, 266,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 82 LEU HB+ 19 LEU MDY 3.00 (# 2113:20 Unique 2.47, 4.60 A)
&rst
ixpk= 2113, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1250,1251,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 78 MET HG- 19 LEU MDY 4.00 (# 2114:20 Unique 2.24, 4.45 A)
&rst
ixpk= 2114, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1205,1206,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 19 LEU HG 19 LEU MDY 3.00 (# 2115:20 Unique 2.45, 2.66 A)
&rst
ixpk= 2115, nxpk= 20, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 82 LEU MDY 19 LEU MDY 3.00 (# 2116:20 Unique 3.24, 6.20 A)
&rst
ixpk= 2116, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1255,1256,1257,1259,1260,1261,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 0 AMB 20-2:2117 19 LEU MDY 3.00 (# 2117:20 Single Ambig)
&rst
ixpk= 2117, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 265, 266,1250,1251,1157,1158,1159,1161,1162,1163,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 0 AMB 20-2:2118 19 LEU MDY 5.00 (# 2118:20 Single Ambig)
&rst
ixpk= 2118, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.32, r4= 9.82,
igr1=1013,1014,1015,1017,1018,1019,1253,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 53 TYR HB+ 15 THR MG2 5.00 (# 2119:20 Unique 3.21, 4.52 A)
&rst
ixpk= 2119, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 831, 832,
igr2= 204, 205, 206,
&end
#
# 44 PHE HZ 15 THR MG2 3.00 (# 2120:20 Unique 2.99, 3.19 A)
&rst
ixpk= 2120, nxpk= 20, iat= 686, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 204, 205, 206,
&end
#
# 53 TYR HD 15 THR MG2 5.00 (# 2121:20 Unique 2.36, 5.04 A)
&rst
ixpk= 2121, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 835, 844,
igr2= 204, 205, 206,
&end
#
# 44 PHE HE 15 THR MG2 3.00 (# 2122:20 Unique 2.42, 4.14 A)
&rst
ixpk= 2122, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 684, 688,
igr2= 204, 205, 206,
&end
#
# 17 ASN HN 15 THR MG2 6.00 (# 2123:20 Unique 5.64, 6.24 A)
&rst
ixpk= 2123, nxpk= 20, iat= 231, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 204, 205, 206,
&end
#
# 15 THR HB 15 THR MG2 3.00 (# 2124:20 Unique 2.48, 2.67 A)
&rst
ixpk= 2124, nxpk= 20, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 204, 205, 206,
&end
#
# 15 THR HA 15 THR MG2 3.00 (# 2125:20 Unique 2.46, 3.02 A)
&rst
ixpk= 2125, nxpk= 20, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 204, 205, 206,
&end
#
# 0 AMB 20-2:2126 15 THR MG2 5.00 (# 2126:20 Single Ambig)
&rst
ixpk= 2126, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 747, 748, 749,1253,
igr2= 204, 205, 206,
&end
#
# 0 AMB 20-2:2127 15 THR MG2 3.00 (# 2127:20 Single Ambig)
&rst
ixpk= 2127, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 270, 271, 272, 274, 275, 276, 270, 271, 272, 274,
275, 276,
igr2= 204, 205, 206,
&end
#
# 60 HIS HD2 16 LEU MDX 5.00 (# 2128:20 Unique 2.54, 3.64 A)
&rst
ixpk= 2128, nxpk= 20, iat= 953, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 221, 222, 223, 225, 226, 227,
&end
#
# 60 HIS HA 16 LEU MDX 4.00 (# 2129:20 Unique 2.45, 4.01 A)
&rst
ixpk= 2129, nxpk= 20, iat= 941, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 221, 222, 223, 225, 226, 227,
&end
#
# 16 LEU HA 16 LEU MDX 4.00 (# 2130:20 Unique 2.27, 3.95 A)
&rst
ixpk= 2130, nxpk= 20, iat= 214, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 221, 222, 223, 225, 226, 227,
&end
#
# 64 LEU HN 16 LEU MDX 6.00 (# 2132:20 Unique 3.53, 5.25 A)
&rst
ixpk= 2132, nxpk= 20, iat=1004, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 221, 222, 223, 225, 226, 227,
&end
#
# 60 HIS HB- 16 LEU MDX 4.00 (# 2133:20 Unique 2.44, 4.98 A)
&rst
ixpk= 2133, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 943, 944,
igr2= 221, 222, 223, 225, 226, 227,
&end
#
# 63 ILE HB 16 LEU MDX 4.00 (# 2134:20 Unique 2.30, 3.64 A)
&rst
ixpk= 2134, nxpk= 20, iat= 989, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 221, 222, 223, 225, 226, 227,
&end
#
# 53 TYR HE 15 THR MG2 6.00 (# 2137:20 Unique 3.77, 6.20 A)
&rst
ixpk= 2137, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 837, 842,
igr2= 204, 205, 206,
&end
#
# 75 VAL HN 75 VAL MGY 3.00 (# 2138:20 Unique 2.00, 3.72 A)
&rst
ixpk= 2138, nxpk= 20, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1157,1158,1159,1161,1162,1163,
&end
#
# 68 SER HN 75 VAL MGY 5.00 (# 2139:20 Preassigned 4.70, 6.40 A)
&rst
ixpk= 2139, nxpk= 20, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1157,1158,1159,1161,1162,1163,
&end
#
# 23 TYR HH 75 VAL MGY 4.00 (# 2140:20 Unique 2.17, 3.63 A)
&rst
ixpk= 2140, nxpk= 20, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1157,1158,1159,1161,1162,1163,
&end
#
# 64 LEU HN 75 VAL MGY 5.00 (# 2141:20 Unique 4.20, 5.46 A)
&rst
ixpk= 2141, nxpk= 20, iat=1004, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1157,1158,1159,1161,1162,1163,
&end
#
# 23 TYR HE 75 VAL MGY 5.00 (# 2142:20 Unique 3.07, 5.67 A)
&rst
ixpk= 2142, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 343, 348,
igr2=1157,1158,1159,1161,1162,1163,
&end
#
# 75 VAL HA 75 VAL MGY 3.00 (# 2143:20 Unique 2.51, 3.13 A)
&rst
ixpk= 2143, nxpk= 20, iat=1153, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1157,1158,1159,1161,1162,1163,
&end
#
# 68 SER HB+ 75 VAL MGY 3.00 (# 2144:20 Unique 3.23, 5.57 A)
&rst
ixpk= 2144, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1067,1068,
igr2=1157,1158,1159,1161,1162,1163,
&end
#
# 61 VAL HA 75 VAL MGY 4.00 (# 2145:20 Unique 2.23, 3.34 A)
&rst
ixpk= 2145, nxpk= 20, iat= 959, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1157,1158,1159,1161,1162,1163,
&end
#
# 0 AMB 20-2:2146 75 VAL MGY 3.00 (# 2146:20 Single Ambig)
&rst
ixpk= 2146, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1155,1008,1009,
igr2=1157,1158,1159,1161,1162,1163,
&end
#
# 0 AMB 20-2:2149 75 VAL MGY 5.00 (# 2149:20 Single Ambig)
&rst
ixpk= 2149, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.20, r4=10.70,
igr1= 270, 271, 272, 274, 275, 276, 270, 271, 272, 274,
275, 276,
igr2=1157,1158,1159,1161,1162,1163,
&end
#
# 0 AMB 20-2:2150 26 VAL MGY 5.00 (# 2150:20 Single Ambig)
&rst
ixpk= 2150, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 390, 364, 430,
igr2= 380, 381, 382, 384, 385, 386,
&end
#
# 26 VAL HN 26 VAL MGY 3.00 (# 2151:20 Unique 2.09, 3.76 A)
&rst
ixpk= 2151, nxpk= 20, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 380, 381, 382, 384, 385, 386,
&end
#
# 33 PHE HZ 26 VAL MGY 3.00 (# 2152:20 Unique 2.28, 4.58 A)
&rst
ixpk= 2152, nxpk= 20, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 380, 381, 382, 384, 385, 386,
&end
#
# 23 TYR HE 26 VAL MGY 5.00 (# 2153:20 Preassigned 5.04, 7.55 A)
&rst
ixpk= 2153, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 343, 348,
igr2= 380, 381, 382, 384, 385, 386,
&end
#
# 23 TYR HA 26 VAL MGY 3.00 (# 2154:20 Preassigned 3.20, 4.25 A)
&rst
ixpk= 2154, nxpk= 20, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 380, 381, 382, 384, 385, 386,
&end
#
# 31 ARG HA 26 VAL MGY 4.00 (# 2155:20 Unique 2.55, 4.18 A)
&rst
ixpk= 2155, nxpk= 20, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 380, 381, 382, 384, 385, 386,
&end
#
# 26 VAL HA 26 VAL MGY 3.00 (# 2156:20 Unique 2.54, 3.16 A)
&rst
ixpk= 2156, nxpk= 20, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 380, 381, 382, 384, 385, 386,
&end
#
# 26 VAL HB 26 VAL MGY 3.00 (# 2157:20 Unique 2.45, 2.66 A)
&rst
ixpk= 2157, nxpk= 20, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 380, 381, 382, 384, 385, 386,
&end
#
# 22 LEU HB+ 26 VAL MGY 6.00 (# 2158:20 Preassigned 4.09, 6.81 A)
&rst
ixpk= 2158, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 318, 319,
igr2= 380, 381, 382, 384, 385, 386,
&end
#
# 31 ARG HB+ 26 VAL MGY 5.00 (# 2159:20 Unique 2.39, 4.52 A)
&rst
ixpk= 2159, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 446, 447,
igr2= 380, 381, 382, 384, 385, 386,
&end
#
# 71 THR MG2 26 VAL MGY 4.00 (# 2160:20 Preassigned 2.42, 4.80 A)
&rst
ixpk= 2160, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1107,1108,1109,
igr2= 380, 381, 382, 384, 385, 386,
&end
#
# 0 AMB 20-2:2163 82 LEU MDX 3.00 (# 2163:20 Single Ambig)
&rst
ixpk= 2163, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1=1250,1251, 321,1306,1307,
igr2=1255,1256,1257,1259,1260,1261,
&end
#
# 0 AMB 20-2:2164 0 AMB 20-1:2164 3.00 (# 2164:20 Double Ambig)
&rst
ixpk= 2164, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1= 251, 252, 253, 255, 256, 257, 216, 217,
igr2=1255,1256,1257,1259,1260,1261, 221, 222, 223, 225,
226, 227,
&end
#
# 85 LEU HG 82 LEU MDX 6.00 (# 2165:20 Unique 3.80, 5.55 A)
&rst
ixpk= 2165, nxpk= 20, iat=1309, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1255,1256,1257,1259,1260,1261,
&end
#
# 85 LEU HN 85 LEU MDY 4.00 (# 2166:20 Unique 2.26, 3.67 A)
&rst
ixpk= 2166, nxpk= 20, iat=1302, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1311,1312,1313,1315,1316,1317,
&end
#
# 32 TRP HZ2 85 LEU MDY 5.00 (# 2167:20 Preassigned 3.89, 5.47 A)
&rst
ixpk= 2167, nxpk= 20, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1311,1312,1313,1315,1316,1317,
&end
#
# 90 MET HA 85 LEU MDY 5.00 (# 2168:20 Unique 3.24, 4.52 A)
&rst
ixpk= 2168, nxpk= 20, iat=1380, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1311,1312,1313,1315,1316,1317,
&end
#
# 0 AMB 20-2:2169 85 LEU MDY 3.00 (# 2169:20 Single Ambig)
&rst
ixpk= 2169, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1304,1373,1374,
igr2=1311,1312,1313,1315,1316,1317,
&end
#
# 33 PHE HB+ 85 LEU MDY 3.00 (# 2170:20 Unique 2.28, 4.19 A)
&rst
ixpk= 2170, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 494, 495,
igr2=1311,1312,1313,1315,1316,1317,
&end
#
# 85 LEU HB+ 85 LEU MDY 3.00 (# 2171:20 Unique 2.61, 3.58 A)
&rst
ixpk= 2171, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1306,1307,
igr2=1311,1312,1313,1315,1316,1317,
&end
#
# 85 LEU HB- 85 LEU MDY 3.00 (# 2172:20 Unique 2.61, 3.58 A)
&rst
ixpk= 2172, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1306,1307,
igr2=1311,1312,1313,1315,1316,1317,
&end
#
# 85 LEU HG 85 LEU MDY 3.00 (# 2173:20 Unique 2.31, 2.61 A)
&rst
ixpk= 2173, nxpk= 20, iat=1309, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1311,1312,1313,1315,1316,1317,
&end
#
# 95 ILE QD1 85 LEU MDY 5.00 (# 2174:20 Unique 2.43, 4.38 A)
&rst
ixpk= 2174, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1467,1468,1469,
igr2=1311,1312,1313,1315,1316,1317,
&end
#
# 86 LEU HN 86 LEU MDY 5.00 (# 2175:20 Unique 3.69, 4.44 A)
&rst
ixpk= 2175, nxpk= 20, iat=1321, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1330,1331,1332,1334,1335,1336,
&end
#
# 0 AMB 20-2:2176 86 LEU MDY 5.00 (# 2176:20 Single Ambig)
&rst
ixpk= 2176, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 792,1340, 770,
igr2=1330,1331,1332,1334,1335,1336,
&end
#
# 51 TYR HD 86 LEU MDY 3.00 (# 2177:20 Unique 2.61, 4.86 A)
&rst
ixpk= 2177, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 800, 809,
igr2=1330,1331,1332,1334,1335,1336,
&end
#
# 0 AMB 20-2:2178 86 LEU MDY 5.00 (# 2178:20 Single Ambig)
&rst
ixpk= 2178, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1= 727,1352,1353,1366,1367,
igr2=1330,1331,1332,1334,1335,1336,
&end
#
# 0 AMB 20-2:2179 86 LEU MDY 4.00 (# 2179:20 Single Ambig)
&rst
ixpk= 2179, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 837, 842, 802, 807,
igr2=1330,1331,1332,1334,1335,1336,
&end
#
# 83 LYS HA 86 LEU MDY 4.00 (# 2180:20 Unique 2.38, 4.37 A)
&rst
ixpk= 2180, nxpk= 20, iat=1267, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1330,1331,1332,1334,1335,1336,
&end
#
# 51 TYR HB+ 86 LEU MDY 3.00 (# 2181:20 Unique 2.61, 4.50 A)
&rst
ixpk= 2181, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 796, 797,
igr2=1330,1331,1332,1334,1335,1336,
&end
#
# 51 TYR HB- 86 LEU MDY 4.00 (# 2182:20 Unique 2.61, 4.50 A)
&rst
ixpk= 2182, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 796, 797,
igr2=1330,1331,1332,1334,1335,1336,
&end
#
# 0 AMB 20-2:2183 86 LEU MDY 6.00 (# 2183:20 Single Ambig)
&rst
ixpk= 2183, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1=1269,1270,1306,1307,1250,1251,1344,1345,
igr2=1330,1331,1332,1334,1335,1336,
&end
#
# 82 LEU MDY 86 LEU MDY 5.00 (# 2184:20 Unique 2.72, 5.16 A)
&rst
ixpk= 2184, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
igr1=1255,1256,1257,1259,1260,1261,
igr2=1330,1331,1332,1334,1335,1336,
&end
#
# 0 AMB 20-2:2185 86 LEU MDY 3.00 (# 2185:20 Single Ambig)
&rst
ixpk= 2185, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1328,1325,1326,
igr2=1330,1331,1332,1334,1335,1336,
&end
#
# 82 LEU MDX 86 LEU MDY 4.00 (# 2186:20 Unique 2.72, 5.16 A)
&rst
ixpk= 2186, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1=1255,1256,1257,1259,1260,1261,
igr2=1330,1331,1332,1334,1335,1336,
&end
#
# 71 THR HB 26 VAL MGY 6.00 (# 2188:20 Unique 2.42, 4.14 A)
&rst
ixpk= 2188, nxpk= 20, iat=1105, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 380, 381, 382, 384, 385, 386,
&end
#
# 0 AMB 20-2:2189 82 LEU MDX 3.00 (# 2189:20 Single Ambig)
&rst
ixpk= 2189, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1248, 263,
igr2=1255,1256,1257,1259,1260,1261,
&end
#
# 86 LEU MDX 82 LEU MDX 4.00 (# 2190:20 Unique 2.72, 5.16 A)
&rst
ixpk= 2190, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1=1330,1331,1332,1334,1335,1336,
igr2=1255,1256,1257,1259,1260,1261,
&end
#
# 86 LEU MDY 82 LEU MDX 4.00 (# 2191:20 Unique 2.72, 5.16 A)
&rst
ixpk= 2191, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1=1330,1331,1332,1334,1335,1336,
igr2=1255,1256,1257,1259,1260,1261,
&end
#
# 28 ASN HB+ 96 LEU MDY 5.00 (# 2192:20 Unique 2.24, 4.50 A)
&rst
ixpk= 2192, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 413, 414,
igr2=1482,1483,1484,1486,1487,1488,
&end
#
# 28 ASN HB- 96 LEU MDY 4.00 (# 2193:20 Unique 2.24, 4.50 A)
&rst
ixpk= 2193, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 413, 414,
igr2=1482,1483,1484,1486,1487,1488,
&end
#
# 96 LEU HB+ 96 LEU MDY 4.00 (# 2194:20 Unique 2.44, 3.31 A)
&rst
ixpk= 2194, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1477,1478,
igr2=1482,1483,1484,1486,1487,1488,
&end
#
# 96 LEU HA 96 LEU MDY 3.00 (# 2195:20 Unique 2.14, 3.85 A)
&rst
ixpk= 2195, nxpk= 20, iat=1475, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1482,1483,1484,1486,1487,1488,
&end
#
# 0 AMB 20-2:2196 96 LEU MDY 3.00 (# 2196:20 Single Ambig)
&rst
ixpk= 2196, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1=1480, 358, 359, 360, 368, 369, 370,
igr2=1482,1483,1484,1486,1487,1488,
&end
#
# 13 THR HA 18 VAL MGY 6.00 (# 2199:20 Preassigned 5.46, 7.10 A)
&rst
ixpk= 2199, nxpk= 20, iat= 167, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 251, 252, 253, 255, 256, 257,
&end
#
# 101 LEU HB+ 18 VAL MGY 5.00 (# 2200:20 Unique 2.43, 4.22 A)
&rst
ixpk= 2200, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1547,1548,
igr2= 251, 252, 253, 255, 256, 257,
&end
#
# 15 THR MG2 18 VAL MGY 6.00 (# 2201:20 Preassigned 5.27, 7.12 A)
&rst
ixpk= 2201, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 204, 205, 206,
igr2= 251, 252, 253, 255, 256, 257,
&end
#
# 82 LEU HG 18 VAL MGY 6.00 (# 2202:20 Preassigned 4.18, 5.39 A)
&rst
ixpk= 2202, nxpk= 20, iat=1253, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 251, 252, 253, 255, 256, 257,
&end
#
# 19 LEU HN 18 VAL MGY 4.00 (# 2203:20 Unique 4.00, 4.70 A)
&rst
ixpk= 2203, nxpk= 20, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 251, 252, 253, 255, 256, 257,
&end
#
# 0 AMB 20-2:2204 18 VAL MGY 4.00 (# 2204:20 Single Ambig)
&rst
ixpk= 2204, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 245, 309,
igr2= 251, 252, 253, 255, 256, 257,
&end
#
# 53 TYR HE 18 VAL MGY 4.00 (# 2205:20 Unique 2.03, 5.21 A)
&rst
ixpk= 2205, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 837, 842,
igr2= 251, 252, 253, 255, 256, 257,
&end
#
# 18 VAL HA 18 VAL MGY 3.00 (# 2206:20 Unique 2.37, 3.14 A)
&rst
ixpk= 2206, nxpk= 20, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 251, 252, 253, 255, 256, 257,
&end
#
# 0 AMB 20-2:2207 18 VAL MGY 4.00 (# 2207:20 Single Ambig)
&rst
ixpk= 2207, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 200, 294, 295,
igr2= 251, 252, 253, 255, 256, 257,
&end
#
# 18 VAL HB 18 VAL MGY 3.00 (# 2208:20 Unique 2.46, 2.67 A)
&rst
ixpk= 2208, nxpk= 20, iat= 249, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 251, 252, 253, 255, 256, 257,
&end
#
# 14 ILE HB 18 VAL MGY 6.00 (# 2209:20 Preassigned 4.67, 6.86 A)
&rst
ixpk= 2209, nxpk= 20, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 251, 252, 253, 255, 256, 257,
&end
#
# 13 THR MG2 18 VAL MGY 4.00 (# 2211:20 Unique 2.48, 4.52 A)
&rst
ixpk= 2211, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 171, 172, 173,
igr2= 251, 252, 253, 255, 256, 257,
&end
#
# 102 GLU HB+ 18 VAL MGY 5.00 (# 2212:20 Preassigned 4.63, 6.44 A)
&rst
ixpk= 2212, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1566,1567,
igr2= 251, 252, 253, 255, 256, 257,
&end
#
# 46 LEU HN 46 LEU MDY 4.00 (# 2213:20 Unique 3.75, 4.52 A)
&rst
ixpk= 2213, nxpk= 20, iat= 708, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 717, 718, 719, 721, 722, 723,
&end
#
# 23 TYR HB+ 71 THR MG2 5.00 (# 2214:20 Unique 3.17, 4.82 A)
&rst
ixpk= 2214, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 337, 338,
igr2=1107,1108,1109,
&end
#
# 73 ILE HN 71 THR MG2 5.00 (# 2215:20 Unique 5.24, 5.39 A)
&rst
ixpk= 2215, nxpk= 20, iat=1122, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1107,1108,1109,
&end
#
# 23 TYR HE 71 THR MG2 5.00 (# 2216:20 Unique 4.07, 6.32 A)
&rst
ixpk= 2216, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 343, 348,
igr2=1107,1108,1109,
&end
#
# 23 TYR HB- 71 THR MG2 5.00 (# 2217:20 Unique 3.17, 4.82 A)
&rst
ixpk= 2217, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 337, 338,
igr2=1107,1108,1109,
&end
#
# 70 GLN HG- 71 THR MG2 5.00 (# 2218:20 Unique 5.71, 6.78 A)
&rst
ixpk= 2218, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1091,1092,
igr2=1107,1108,1109,
&end
#
# 27 ILE QD1 71 THR MG2 3.00 (# 2219:20 Unique 2.73, 4.06 A)
&rst
ixpk= 2219, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 403, 404, 405,
igr2=1107,1108,1109,
&end
#
# 51 TYR HD 47 VAL MGY 5.00 (# 2220:20 Unique 3.53, 7.13 A)
&rst
ixpk= 2220, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 800, 809,
igr2= 733, 734, 735, 737, 738, 739,
&end
#
# 47 VAL HN 47 VAL MGY 3.00 (# 2221:20 Unique 2.17, 3.79 A)
&rst
ixpk= 2221, nxpk= 20, iat= 727, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 733, 734, 735, 737, 738, 739,
&end
#
# 48 ALA HN 47 VAL MGY 4.00 (# 2222:20 Unique 3.57, 4.50 A)
&rst
ixpk= 2222, nxpk= 20, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 733, 734, 735, 737, 738, 739,
&end
#
# 0 AMB 20-2:2223 47 VAL MGY 3.00 (# 2223:20 Single Ambig)
&rst
ixpk= 2223, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 729,1267,
igr2= 733, 734, 735, 737, 738, 739,
&end
#
# 83 LYS HE+ 47 VAL MGY 3.00 (# 2224:20 Unique 1.98, 4.37 A)
&rst
ixpk= 2224, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1278,1279,
igr2= 733, 734, 735, 737, 738, 739,
&end
#
# 47 VAL HB 47 VAL MGY 3.00 (# 2225:20 Unique 2.46, 2.67 A)
&rst
ixpk= 2225, nxpk= 20, iat= 731, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 733, 734, 735, 737, 738, 739,
&end
#
# 0 AMB 20-2:2226 47 VAL MGY 3.00 (# 2226:20 Single Ambig)
&rst
ixpk= 2226, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1275,1276, 774, 775,
igr2= 733, 734, 735, 737, 738, 739,
&end
#
# 75 VAL HN 75 VAL MGX 4.00 (# 2227:20 Unique 2.00, 3.72 A)
&rst
ixpk= 2227, nxpk= 20, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1157,1158,1159,1161,1162,1163,
&end
#
# 0 AMB 20-2:2229 0 AMB 20-1:2229 3.00 (# 2229:20 Double Ambig)
&rst
ixpk= 2229, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1=1176,1177,1178,1180,1181,1182, 884,
igr2=1157,1158,1159,1161,1162,1163,1013,1014,1015,1017,
1018,1019,
&end
#
# 67 LEU HN 67 LEU MDY 4.00 (# 2230:20 Preassigned 3.83, 4.47 A)
&rst
ixpk= 2230, nxpk= 20, iat=1044, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1053,1054,1055,1057,1058,1059,
&end
#
# 66 PRO HA 67 LEU MDY 6.00 (# 2231:20 Preassigned 5.96, 7.42 A)
&rst
ixpk= 2231, nxpk= 20, iat=1040, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1053,1054,1055,1057,1058,1059,
&end
#
# 20 ALA HA 67 LEU MDY 5.00 (# 2232:20 Preassigned 2.69, 4.39 A)
&rst
ixpk= 2232, nxpk= 20, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1053,1054,1055,1057,1058,1059,
&end
#
# 110 VAL HA 67 LEU MDY 5.00 (# 2233:20 Preassigned 4.39, 5.58 A)
&rst
ixpk= 2233, nxpk= 20, iat=1686, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1053,1054,1055,1057,1058,1059,
&end
#
# 23 TYR HB+ 67 LEU MDY 5.00 (# 2234:20 Unique 2.36, 4.09 A)
&rst
ixpk= 2234, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 337, 338,
igr2=1053,1054,1055,1057,1058,1059,
&end
#
# 23 TYR HB- 67 LEU MDY 5.00 (# 2235:20 Unique 2.36, 4.09 A)
&rst
ixpk= 2235, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 337, 338,
igr2=1053,1054,1055,1057,1058,1059,
&end
#
# 0 AMB 20-2:2236 67 LEU MDY 4.00 (# 2236:20 Single Ambig)
&rst
ixpk= 2236, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1=1037,1038,1091,1092,
igr2=1053,1054,1055,1057,1058,1059,
&end
#
# 0 AMB 20-2:2237 67 LEU MDY 5.00 (# 2237:20 Single Ambig)
&rst
ixpk= 2237, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1088,1089,1091,1092,
igr2=1053,1054,1055,1057,1058,1059,
&end
#
# 107 PRO HB+ 67 LEU MDY 6.00 (# 2238:20 Preassigned 2.29, 4.81 A)
&rst
ixpk= 2238, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1645,1646,
igr2=1053,1054,1055,1057,1058,1059,
&end
#
# 27 ILE HG1- 67 LEU MDY 6.00 (# 2239:20 Unique 4.50, 6.27 A)
&rst
ixpk= 2239, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 400, 401,
igr2=1053,1054,1055,1057,1058,1059,
&end
#
# 67 LEU HG 67 LEU MDY 3.00 (# 2240:20 Preassigned 2.43, 2.65 A)
&rst
ixpk= 2240, nxpk= 20, iat=1051, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1053,1054,1055,1057,1058,1059,
&end
#
# 67 LEU HB+ 67 LEU MDY 3.00 (# 2241:20 Unique 2.45, 3.32 A)
&rst
ixpk= 2241, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1048,1049,
igr2=1053,1054,1055,1057,1058,1059,
&end
#
# 64 LEU MDY 67 LEU MDY 4.00 (# 2242:20 Preassigned 2.33, 6.78 A)
&rst
ixpk= 2242, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1=1013,1014,1015,1017,1018,1019,
igr2=1053,1054,1055,1057,1058,1059,
&end
#
# 0 AMB 20-2:2243 71 THR MG2 3.00 (# 2243:20 Single Ambig)
&rst
ixpk= 2243, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1103,1105,
igr2=1107,1108,1109,
&end
#
# 70 GLN HA 71 THR MG2 5.00 (# 2244:20 Preassigned 5.14, 6.01 A)
&rst
ixpk= 2244, nxpk= 20, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1107,1108,1109,
&end
#
# 27 ILE HA 71 THR MG2 4.00 (# 2245:20 Unique 3.54, 4.28 A)
&rst
ixpk= 2245, nxpk= 20, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1107,1108,1109,
&end
#
# 70 GLN HB- 71 THR MG2 3.00 (# 2246:20 Unique 3.18, 4.36 A)
&rst
ixpk= 2246, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1088,1089,
igr2=1107,1108,1109,
&end
#
# 27 ILE HG1- 71 THR MG2 3.00 (# 2247:20 Unique 2.33, 2.92 A)
&rst
ixpk= 2247, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 400, 401,
igr2=1107,1108,1109,
&end
#
# 27 ILE HN 71 THR MG2 4.00 (# 2248:20 Preassigned 3.86, 4.17 A)
&rst
ixpk= 2248, nxpk= 20, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1107,1108,1109,
&end
#
# 71 THR HN 71 THR MG2 3.00 (# 2250:20 Unique 2.55, 3.37 A)
&rst
ixpk= 2250, nxpk= 20, iat=1101, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1107,1108,1109,
&end
#
# 23 TYR HD 71 THR MG2 3.00 (# 2251:20 Unique 2.11, 5.04 A)
&rst
ixpk= 2251, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 341, 350,
igr2=1107,1108,1109,
&end
#
# 26 VAL MGY 71 THR MG2 4.00 (# 2252:20 Unique 2.42, 4.80 A)
&rst
ixpk= 2252, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 380, 381, 382, 384, 385, 386,
igr2=1107,1108,1109,
&end
#
# 0 AMB 20-2:2253 71 THR MG2 3.00 (# 2253:20 Single Ambig)
&rst
ixpk= 2253, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 400, 401, 380, 381, 382, 384, 385, 386,
igr2=1107,1108,1109,
&end
#
# 111 VAL HA 111 VAL MGX 3.00 (# 2255:20 Preassigned 2.44, 3.18 A)
&rst
ixpk= 2255, nxpk= 20, iat=1702, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1706,1707,1708,1710,1711,1712,
&end
#
# 111 VAL HB 111 VAL MGX 3.00 (# 2256:20 Preassigned 2.36, 2.64 A)
&rst
ixpk= 2256, nxpk= 20, iat=1704, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1706,1707,1708,1710,1711,1712,
&end
#
# 0 AMB 20-2:2257 61 VAL MGY 3.00 (# 2257:20 Single Ambig)
&rst
ixpk= 2257, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 884, 270, 271, 272, 274, 275, 276, 270, 271, 272,
274, 275, 276,
igr2= 963, 964, 965, 967, 968, 969,
&end
#
# 23 TYR HH 0 AMB 20-1:2258 4.00 (# 2258:20 Single Ambig)
&rst
ixpk= 2258, nxpk= 20, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=1157,1158,1159,1161,1162,1163,1013,1014,1015,1017,
1018,1019,
&end
#
# 64 LEU HN 0 AMB 20-1:2259 4.00 (# 2259:20 Single Ambig)
&rst
ixpk= 2259, nxpk= 20, iat=1004, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=1013,1014,1015,1017,1018,1019,1157,1158,1159,1161,
1162,1163,
&end
#
# 0 AMB 20-2:2260 0 AMB 20-1:2260 3.00 (# 2260:20 Double Ambig)
&rst
ixpk= 2260, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1006,1153,
igr2=1013,1014,1015,1017,1018,1019,1157,1158,1159,1161,
1162,1163,
&end
#
# 76 LEU HA 75 VAL MGX 5.00 (# 2261:20 Preassigned 3.95, 5.86 A)
&rst
ixpk= 2261, nxpk= 20, iat=1169, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1157,1158,1159,1161,1162,1163,
&end
#
# 61 VAL HA 0 AMB 20-1:2262 5.00 (# 2262:20 Single Ambig)
&rst
ixpk= 2262, nxpk= 20, iat= 959, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr2=1157,1158,1159,1161,1162,1163,1013,1014,1015,1017,
1018,1019,
&end
#
# 35 ASN HN 34 LEU MDX 4.00 (# 2264:20 Unique 2.06, 3.42 A)
&rst
ixpk= 2264, nxpk= 20, iat= 529, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 519, 520, 521, 523, 524, 525,
&end
#
# 34 LEU HN 34 LEU MDX 4.00 (# 2266:20 Unique 4.49, 5.10 A)
&rst
ixpk= 2266, nxpk= 20, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 519, 520, 521, 523, 524, 525,
&end
#
# 33 PHE HE 34 LEU MDX 5.00 (# 2267:20 Unique 3.42, 6.88 A)
&rst
ixpk= 2267, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 500, 504,
igr2= 519, 520, 521, 523, 524, 525,
&end
#
# 0 AMB 20-2:2268 34 LEU MDX 3.00 (# 2268:20 Single Ambig)
&rst
ixpk= 2268, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1=1240,1241,1242,1202,1203,
igr2= 519, 520, 521, 523, 524, 525,
&end
#
# 34 LEU HB+ 34 LEU MDX 3.00 (# 2269:20 Unique 2.49, 3.55 A)
&rst
ixpk= 2269, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 514, 515,
igr2= 519, 520, 521, 523, 524, 525,
&end
#
# 0 AMB 20-2:2270 34 LEU MDX 3.00 (# 2270:20 Single Ambig)
&rst
ixpk= 2270, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1132,1133, 514, 515,
igr2= 519, 520, 521, 523, 524, 525,
&end
#
# 78 MET HA 34 LEU MDX 5.00 (# 2271:20 Unique 4.21, 5.76 A)
&rst
ixpk= 2271, nxpk= 20, iat=1200, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 519, 520, 521, 523, 524, 525,
&end
#
# 0 AMB 20-2:2272 0 AMB 20-1:2272 3.00 (# 2272:20 Double Ambig)
&rst
ixpk= 2272, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 512, 167,
igr2= 519, 520, 521, 523, 524, 525, 171, 172, 173,
&end
#
# 53 TYR HD 13 THR MG2 4.00 (# 2273:20 Unique 3.70, 5.20 A)
&rst
ixpk= 2273, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 835, 844,
igr2= 171, 172, 173,
&end
#
# 95 ILE HN 99 THR MG2 6.00 (# 2274:20 Unique 5.94, 6.45 A)
&rst
ixpk= 2274, nxpk= 20, iat=1454, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1516,1517,1518,
&end
#
# 100 ILE HN 99 THR MG2 5.00 (# 2275:20 Unique 4.69, 5.18 A)
&rst
ixpk= 2275, nxpk= 20, iat=1524, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1516,1517,1518,
&end
#
# 94 THR HA 99 THR MG2 4.00 (# 2276:20 Unique 4.35, 5.09 A)
&rst
ixpk= 2276, nxpk= 20, iat=1442, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1516,1517,1518,
&end
#
# 99 THR HN 99 THR MG2 3.00 (# 2277:20 Unique 2.54, 3.35 A)
&rst
ixpk= 2277, nxpk= 20, iat=1510, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1516,1517,1518,
&end
#
# 99 THR HB 99 THR MG2 3.00 (# 2278:20 Unique 2.48, 2.67 A)
&rst
ixpk= 2278, nxpk= 20, iat=1514, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1516,1517,1518,
&end
#
# 0 AMB 20-2:2279 12 THR MG2 4.00 (# 2279:20 Single Ambig)
&rst
ixpk= 2279, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 165, 827,
igr2= 157, 158, 159,
&end
#
# 54 GLU HN 12 THR MG2 4.00 (# 2280:20 Unique 3.45, 4.03 A)
&rst
ixpk= 2280, nxpk= 20, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 157, 158, 159,
&end
#
# 12 THR HN 12 THR MG2 4.00 (# 2281:20 Unique 3.31, 3.91 A)
&rst
ixpk= 2281, nxpk= 20, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 157, 158, 159,
&end
#
# 53 TYR HA 12 THR MG2 5.00 (# 2282:20 Unique 3.03, 4.04 A)
&rst
ixpk= 2282, nxpk= 20, iat= 829, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 157, 158, 159,
&end
#
# 0 AMB 20-2:2283 12 THR MG2 3.00 (# 2283:20 Single Ambig)
&rst
ixpk= 2283, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 153, 815,
igr2= 157, 158, 159,
&end
#
# 12 THR HB 12 THR MG2 3.00 (# 2284:20 Unique 2.48, 2.67 A)
&rst
ixpk= 2284, nxpk= 20, iat= 155, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 157, 158, 159,
&end
#
# 54 GLU HG+ 12 THR MG2 3.00 (# 2285:20 Unique 2.66, 3.80 A)
&rst
ixpk= 2285, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 855, 856,
igr2= 157, 158, 159,
&end
#
# 54 GLU HB- 12 THR MG2 6.00 (# 2286:20 Preassigned 4.54, 5.48 A)
&rst
ixpk= 2286, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 852, 853,
igr2= 157, 158, 159,
&end
#
# 61 VAL HN 61 VAL MGY 3.00 (# 2287:20 Unique 2.33, 3.83 A)
&rst
ixpk= 2287, nxpk= 20, iat= 957, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 963, 964, 965, 967, 968, 969,
&end
#
# 60 HIS HN 61 VAL MGY 5.00 (# 2288:20 Unique 4.65, 6.29 A)
&rst
ixpk= 2288, nxpk= 20, iat= 939, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 963, 964, 965, 967, 968, 969,
&end
#
# 61 VAL HA 61 VAL MGY 3.00 (# 2289:20 Unique 2.50, 3.20 A)
&rst
ixpk= 2289, nxpk= 20, iat= 959, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 963, 964, 965, 967, 968, 969,
&end
#
# 61 VAL HB 61 VAL MGY 3.00 (# 2290:20 Unique 2.38, 2.64 A)
&rst
ixpk= 2290, nxpk= 20, iat= 961, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 963, 964, 965, 967, 968, 969,
&end
#
# 14 ILE HN 13 THR MG2 5.00 (# 2291:20 Unique 2.82, 3.43 A)
&rst
ixpk= 2291, nxpk= 20, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 171, 172, 173,
&end
#
# 0 AMB 20-2:2292 13 THR MG2 5.00 (# 2292:20 Single Ambig)
&rst
ixpk= 2292, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 165, 827,
igr2= 171, 172, 173,
&end
#
# 53 TYR HE 13 THR MG2 4.00 (# 2293:20 Unique 2.85, 4.49 A)
&rst
ixpk= 2293, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 837, 842,
igr2= 171, 172, 173,
&end
#
# 13 THR HB 13 THR MG2 3.00 (# 2294:20 Unique 2.48, 2.67 A)
&rst
ixpk= 2294, nxpk= 20, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 171, 172, 173,
&end
#
# 103 ASP HB- 13 THR MG2 4.00 (# 2295:20 Unique 2.55, 3.26 A)
&rst
ixpk= 2295, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1581,1582,
igr2= 171, 172, 173,
&end
#
# 53 TYR HA 13 THR MG2 4.00 (# 2296:20 Unique 4.56, 4.92 A)
&rst
ixpk= 2296, nxpk= 20, iat= 829, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 171, 172, 173,
&end
#
# 103 ASP HA 13 THR MG2 5.00 (# 2297:20 Unique 4.96, 5.24 A)
&rst
ixpk= 2297, nxpk= 20, iat=1579, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 171, 172, 173,
&end
#
# 103 ASP HB+ 13 THR MG2 4.00 (# 2298:20 Unique 2.55, 3.26 A)
&rst
ixpk= 2298, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1581,1582,
igr2= 171, 172, 173,
&end
#
# 18 VAL HB 13 THR MG2 5.00 (# 2299:20 Unique 4.71, 5.13 A)
&rst
ixpk= 2299, nxpk= 20, iat= 249, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 171, 172, 173,
&end
#
# 0 AMB 20-2:2300 22 LEU MDX 4.00 (# 2300:20 Single Ambig)
&rst
ixpk= 2300, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 314, 261,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 21 TRP HE3 22 LEU MDX 4.00 (# 2301:20 Unique 3.01, 4.46 A)
&rst
ixpk= 2301, nxpk= 20, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 0 AMB 20-2:2302 22 LEU MDX 4.00 (# 2302:20 Single Ambig)
&rst
ixpk= 2302, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 307, 502,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 21 TRP HD1 22 LEU MDX 6.00 (# 2303:20 Preassigned 6.46, 8.58 A)
&rst
ixpk= 2303, nxpk= 20, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 0 AMB 20-2:2304 22 LEU MDX 5.00 (# 2304:20 Single Ambig)
&rst
ixpk= 2304, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1248, 263,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 22 LEU HA 22 LEU MDX 3.00 (# 2305:20 Unique 2.09, 3.71 A)
&rst
ixpk= 2305, nxpk= 20, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 0 AMB 20-2:2306 22 LEU MDX 3.00 (# 2306:20 Single Ambig)
&rst
ixpk= 2306, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1250,1251, 321,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 22 LEU HB- 22 LEU MDX 3.00 (# 2307:20 Unique 2.39, 3.38 A)
&rst
ixpk= 2307, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 318, 319,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 101 LEU HB- 22 LEU MDX 4.00 (# 2308:20 Preassigned 5.36, 7.41 A)
&rst
ixpk= 2308, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1547,1548,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 0 AMB 20-2:2309 22 LEU MDX 5.00 (# 2309:20 Single Ambig)
&rst
ixpk= 2309, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.91, r4=11.41,
igr1=1552,1553,1554,1556,1557,1558, 251, 252, 253, 255,
256, 257, 380, 381, 382, 384, 385, 386,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 85 LEU HG 22 LEU MDX 4.00 (# 2311:20 Unique 2.92, 3.96 A)
&rst
ixpk= 2311, nxpk= 20, iat=1309, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 95 ILE QD1 22 LEU MDX 3.00 (# 2312:20 Unique 2.45, 4.59 A)
&rst
ixpk= 2312, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1467,1468,1469,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 97 GLY HA+ 94 THR MG2 5.00 (# 2313:20 Preassigned 3.43, 4.94 A)
&rst
ixpk= 2313, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1494,1495,
igr2=1446,1447,1448,
&end
#
# 110 VAL HA 110 VAL MGY 3.00 (# 2314:20 Preassigned 2.43, 3.17 A)
&rst
ixpk= 2314, nxpk= 20, iat=1686, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1690,1691,1692,1694,1695,1696,
&end
#
# 106 THR HN 106 THR MG2 3.00 (# 2315:20 Unique 2.74, 3.51 A)
&rst
ixpk= 2315, nxpk= 20, iat=1624, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1630,1631,1632,
&end
#
# 0 AMB 20-2:2318 106 THR MG2 3.00 (# 2318:20 Single Ambig)
&rst
ixpk= 2318, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1626,1628,
igr2=1630,1631,1632,
&end
#
# 107 PRO HD+ 106 THR MG2 6.00 (# 2319:20 Unique 3.16, 4.10 A)
&rst
ixpk= 2319, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1639,1640,
igr2=1630,1631,1632,
&end
#
# 105 PHE HB+ 106 THR MG2 6.00 (# 2321:20 Preassigned 6.39, 7.14 A)
&rst
ixpk= 2321, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1608,1609,
igr2=1630,1631,1632,
&end
#
# 41 LEU HN 40 THR MG2 5.00 (# 2322:20 Unique 2.53, 3.46 A)
&rst
ixpk= 2322, nxpk= 20, iat= 629, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 621, 622, 623,
&end
#
# 40 THR HN 40 THR MG2 4.00 (# 2323:20 Unique 3.84, 4.26 A)
&rst
ixpk= 2323, nxpk= 20, iat= 615, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 621, 622, 623,
&end
#
# 40 THR HA 40 THR MG2 3.00 (# 2324:20 Unique 2.41, 2.84 A)
&rst
ixpk= 2324, nxpk= 20, iat= 617, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 621, 622, 623,
&end
#
# 40 THR HB 40 THR MG2 3.00 (# 2325:20 Unique 2.48, 2.67 A)
&rst
ixpk= 2325, nxpk= 20, iat= 619, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 621, 622, 623,
&end
#
# 42 ASN HB+ 40 THR MG2 5.00 (# 2326:20 Unique 4.65, 5.40 A)
&rst
ixpk= 2326, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 652, 653,
igr2= 621, 622, 623,
&end
#
# 95 ILE HN 94 THR MG2 4.00 (# 2328:20 Preassigned 3.98, 4.56 A)
&rst
ixpk= 2328, nxpk= 20, iat=1454, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1446,1447,1448,
&end
#
# 99 THR HN 94 THR MG2 4.00 (# 2329:20 Preassigned 3.87, 4.82 A)
&rst
ixpk= 2329, nxpk= 20, iat=1510, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1446,1447,1448,
&end
#
# 110 VAL HN 110 VAL MGY 3.00 (# 2331:20 Unique 1.87, 3.66 A)
&rst
ixpk= 2331, nxpk= 20, iat=1684, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1690,1691,1692,1694,1695,1696,
&end
#
# 112 ARG HN 111 VAL MGY 5.00 (# 2332:20 Preassigned 2.99, 4.39 A)
&rst
ixpk= 2332, nxpk= 20, iat=1716, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1706,1707,1708,1710,1711,1712,
&end
#
# 67 LEU HG 111 VAL MGY 4.00 (# 2333:20 Preassigned 2.31, 4.48 A)
&rst
ixpk= 2333, nxpk= 20, iat=1051, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1706,1707,1708,1710,1711,1712,
&end
#
# 103 ASP HB+ 18 VAL MGX 4.00 (# 2335:20 Unique 2.26, 4.23 A)
&rst
ixpk= 2335, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1581,1582,
igr2= 251, 252, 253, 255, 256, 257,
&end
#
# 18 VAL HN 18 VAL MGX 4.00 (# 2336:20 Unique 1.90, 3.67 A)
&rst
ixpk= 2336, nxpk= 20, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 251, 252, 253, 255, 256, 257,
&end
#
# 103 ASP HA 18 VAL MGX 5.00 (# 2337:20 Unique 2.93, 4.50 A)
&rst
ixpk= 2337, nxpk= 20, iat=1579, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 251, 252, 253, 255, 256, 257,
&end
#
# 0 AMB 20-2:2338 0 AMB 20-1:2338 3.00 (# 2338:20 Double Ambig)
&rst
ixpk= 2338, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1105, 247,
igr2=1135,1136,1137, 251, 252, 253, 255, 256, 257,
&end
#
# 76 LEU HN 76 LEU MDY 4.00 (# 2339:20 Unique 2.25, 3.73 A)
&rst
ixpk= 2339, nxpk= 20, iat=1167, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1176,1177,1178,1180,1181,1182,
&end
#
# 40 THR HA 76 LEU MDY 4.00 (# 2340:20 Unique 2.31, 4.30 A)
&rst
ixpk= 2340, nxpk= 20, iat= 617, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1176,1177,1178,1180,1181,1182,
&end
#
# 41 LEU HA 76 LEU MDY 5.00 (# 2341:20 Preassigned 3.75, 5.31 A)
&rst
ixpk= 2341, nxpk= 20, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1176,1177,1178,1180,1181,1182,
&end
#
# 76 LEU HA 76 LEU MDY 3.00 (# 2342:20 Unique 2.26, 3.32 A)
&rst
ixpk= 2342, nxpk= 20, iat=1169, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1176,1177,1178,1180,1181,1182,
&end
#
# 0 AMB 20-2:2343 76 LEU MDY 3.00 (# 2343:20 Single Ambig)
&rst
ixpk= 2343, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1174,1171,1172,
igr2=1176,1177,1178,1180,1181,1182,
&end
#
# 74 ALA MB 76 LEU MDY 5.00 (# 2344:20 Unique 3.46, 6.41 A)
&rst
ixpk= 2344, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1145,1146,1147,
igr2=1176,1177,1178,1180,1181,1182,
&end
#
# 86 LEU HN 86 LEU MDX 5.00 (# 2345:20 Unique 3.69, 4.44 A)
&rst
ixpk= 2345, nxpk= 20, iat=1321, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1330,1331,1332,1334,1335,1336,
&end
#
# 0 AMB 20-2:2346 86 LEU MDX 5.00 (# 2346:20 Single Ambig)
&rst
ixpk= 2346, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 792,1340, 770,
igr2=1330,1331,1332,1334,1335,1336,
&end
#
# 0 AMB 20-2:2347 86 LEU MDX 4.00 (# 2347:20 Single Ambig)
&rst
ixpk= 2347, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 837, 842, 802, 807,
igr2=1330,1331,1332,1334,1335,1336,
&end
#
# 86 LEU HA 86 LEU MDX 3.00 (# 2348:20 Unique 2.15, 3.83 A)
&rst
ixpk= 2348, nxpk= 20, iat=1323, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1330,1331,1332,1334,1335,1336,
&end
#
# 0 AMB 20-2:2349 86 LEU MDX 3.00 (# 2349:20 Single Ambig)
&rst
ixpk= 2349, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1328,1325,1326,
igr2=1330,1331,1332,1334,1335,1336,
&end
#
# 39 THR HA 40 THR MG2 4.00 (# 2351:20 Unique 5.37, 6.02 A)
&rst
ixpk= 2351, nxpk= 20, iat= 603, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 621, 622, 623,
&end
#
# 10 THR HA 10 THR MG2 4.00 (# 2352:20 Unique 2.43, 2.98 A)
&rst
ixpk= 2352, nxpk= 20, iat= 127, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 131, 132, 133,
&end
#
# 10 THR HB 10 THR MG2 3.00 (# 2353:20 Unique 2.48, 2.67 A)
&rst
ixpk= 2353, nxpk= 20, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 131, 132, 133,
&end
#
# 118 THR HA 118 THR MG2 4.00 (# 2354:20 Unique 2.40, 2.97 A)
&rst
ixpk= 2354, nxpk= 20, iat=1804, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1808,1809,1810,
&end
#
# 118 THR HB 118 THR MG2 3.00 (# 2355:20 Preassigned 2.48, 2.67 A)
&rst
ixpk= 2355, nxpk= 20, iat=1806, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1808,1809,1810,
&end
#
# 94 THR HB 94 THR MG2 3.00 (# 2356:20 Preassigned 2.48, 2.67 A)
&rst
ixpk= 2356, nxpk= 20, iat=1444, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1446,1447,1448,
&end
#
# 71 THR HB 26 VAL MGX 3.00 (# 2360:20 Unique 2.42, 4.14 A)
&rst
ixpk= 2360, nxpk= 20, iat=1105, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 380, 381, 382, 384, 385, 386,
&end
#
# 26 VAL HN 26 VAL MGX 4.00 (# 2361:20 Unique 2.09, 3.76 A)
&rst
ixpk= 2361, nxpk= 20, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 380, 381, 382, 384, 385, 386,
&end
#
# 0 AMB 20-2:2362 0 AMB 20-1:2362 5.00 (# 2362:20 Double Ambig)
&rst
ixpk= 2362, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
igr1= 466, 770, 792,1101,
igr2= 380, 381, 382, 384, 385, 386, 733, 734, 735, 737,
738, 739,
&end
#
# 0 AMB 20-2:2363 0 AMB 20-1:2363 3.00 (# 2363:20 Double Ambig)
&rst
ixpk= 2363, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 502, 800, 809,
igr2= 380, 381, 382, 384, 385, 386, 733, 734, 735, 737,
738, 739,
&end
#
# 47 VAL HN 47 VAL MGX 4.00 (# 2364:20 Unique 2.17, 3.79 A)
&rst
ixpk= 2364, nxpk= 20, iat= 727, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 733, 734, 735, 737, 738, 739,
&end
#
# 0 AMB 20-2:2365 0 AMB 20-1:2365 3.00 (# 2365:20 Double Ambig)
&rst
ixpk= 2365, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 837, 842, 802, 807,
igr2= 251, 252, 253, 255, 256, 257, 733, 734, 735, 737,
738, 739,
&end
#
# 86 LEU MDY 47 VAL MGX 4.00 (# 2366:20 Unique 2.49, 6.40 A)
&rst
ixpk= 2366, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1=1330,1331,1332,1334,1335,1336,
igr2= 733, 734, 735, 737, 738, 739,
&end
#
# 0 AMB 20-2:2367 86 LEU MDX 4.00 (# 2367:20 Single Ambig)
&rst
ixpk= 2367, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 800, 809, 835, 844,
igr2=1330,1331,1332,1334,1335,1336,
&end
#
# 51 TYR HB- 86 LEU MDX 5.00 (# 2368:20 Unique 2.61, 4.50 A)
&rst
ixpk= 2368, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 796, 797,
igr2=1330,1331,1332,1334,1335,1336,
&end
#
# 101 LEU MDY 86 LEU MDX 4.00 (# 2369:20 Preassigned 3.27, 6.84 A)
&rst
ixpk= 2369, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1=1552,1553,1554,1556,1557,1558,
igr2=1330,1331,1332,1334,1335,1336,
&end
#
# 57 THR HN 57 THR MG2 4.00 (# 2370:20 Unique 3.23, 3.99 A)
&rst
ixpk= 2370, nxpk= 20, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 902, 903, 904,
&end
#
# 58 GLN HN 57 THR MG2 5.00 (# 2371:20 Unique 4.04, 4.51 A)
&rst
ixpk= 2371, nxpk= 20, iat= 910, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 902, 903, 904,
&end
#
# 57 THR HA 57 THR MG2 3.00 (# 2373:20 Unique 2.57, 3.15 A)
&rst
ixpk= 2373, nxpk= 20, iat= 898, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 902, 903, 904,
&end
#
# 57 THR HB 57 THR MG2 3.00 (# 2374:20 Unique 2.47, 2.66 A)
&rst
ixpk= 2374, nxpk= 20, iat= 900, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 902, 903, 904,
&end
#
# 58 GLN HE2- 61 VAL MGX 5.00 (# 2375:20 Unique 2.52, 4.20 A)
&rst
ixpk= 2375, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 922, 923,
igr2= 963, 964, 965, 967, 968, 969,
&end
#
# 61 VAL HA 61 VAL MGX 3.00 (# 2377:20 Unique 2.50, 3.20 A)
&rst
ixpk= 2377, nxpk= 20, iat= 959, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 963, 964, 965, 967, 968, 969,
&end
#
# 61 VAL HB 61 VAL MGX 3.00 (# 2378:20 Unique 2.38, 2.64 A)
&rst
ixpk= 2378, nxpk= 20, iat= 961, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 963, 964, 965, 967, 968, 969,
&end
#
# 28 ASN HN 26 VAL MGX 5.00 (# 2379:20 Preassigned 5.74, 6.63 A)
&rst
ixpk= 2379, nxpk= 20, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 380, 381, 382, 384, 385, 386,
&end
#
# 0 AMB 20-2:2380 0 AMB 20-1:2380 3.00 (# 2380:20 Double Ambig)
&rst
ixpk= 2380, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 729, 392,
igr2= 733, 734, 735, 737, 738, 739, 380, 381, 382, 384,
385, 386,
&end
#
# 117 VAL HB 117 VAL MGX 3.00 (# 2383:20 Unique 2.46, 2.67 A)
&rst
ixpk= 2383, nxpk= 20, iat=1790, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1792,1793,1794,1796,1797,1798,
&end
#
# 56 LEU HA 57 THR MG2 5.00 (# 2386:20 Unique 3.53, 4.57 A)
&rst
ixpk= 2386, nxpk= 20, iat= 879, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 902, 903, 904,
&end
#
# 38 THR HN 0 AMB 20-1:2387 4.00 (# 2387:20 Single Ambig)
&rst
ixpk= 2387, nxpk= 20, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 593, 594, 595, 607, 608, 609,
&end
#
# 39 THR HN 0 AMB 20-1:2388 3.00 (# 2388:20 Single Ambig)
&rst
ixpk= 2388, nxpk= 20, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 607, 608, 609, 593, 594, 595,
&end
#
# 39 THR HA 39 THR MG2 4.00 (# 2389:20 Unique 3.68, 3.94 A)
&rst
ixpk= 2389, nxpk= 20, iat= 603, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 607, 608, 609,
&end
#
# 0 AMB 20-2:2390 0 AMB 20-1:2390 3.00 (# 2390:20 Double Ambig)
&rst
ixpk= 2390, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 589,1188,
igr2= 593, 594, 595, 607, 608, 609,
&end
#
# 0 AMB 20-2:2391 0 AMB 20-1:2391 3.00 (# 2391:20 Double Ambig)
&rst
ixpk= 2391, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 591, 605,
igr2= 593, 594, 595, 607, 608, 609,
&end
#
# 83 LYS HD+ 39 THR MG2 3.00 (# 2392:20 Unique 2.45, 3.56 A)
&rst
ixpk= 2392, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1275,1276,
igr2= 607, 608, 609,
&end
#
# 80 ALA HA 39 THR MG2 3.00 (# 2393:20 Unique 2.73, 3.42 A)
&rst
ixpk= 2393, nxpk= 20, iat=1228, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 607, 608, 609,
&end
#
# 0 AMB 20-2:2394 39 THR MG2 5.00 (# 2394:20 Single Ambig)
&rst
ixpk= 2394, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1215, 694,
igr2= 607, 608, 609,
&end
#
# 0 AMB 20-2:2395 39 THR MG2 4.00 (# 2395:20 Single Ambig)
&rst
ixpk= 2395, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 674, 615,
igr2= 607, 608, 609,
&end
#
# 80 ALA HN 39 THR MG2 4.00 (# 2396:20 Unique 3.27, 4.28 A)
&rst
ixpk= 2396, nxpk= 20, iat=1226, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 607, 608, 609,
&end
#
# 44 PHE HD 39 THR MG2 5.00 (# 2397:20 Unique 4.10, 5.40 A)
&rst
ixpk= 2397, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 682, 690,
igr2= 607, 608, 609,
&end
#
# 44 PHE HB- 39 THR MG2 3.00 (# 2398:20 Unique 2.56, 3.85 A)
&rst
ixpk= 2398, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 678, 679,
igr2= 607, 608, 609,
&end
#
# 79 CYS HB+ 39 THR MG2 4.00 (# 2399:20 Preassigned 3.58, 4.13 A)
&rst
ixpk= 2399, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1219,1220,
igr2= 607, 608, 609,
&end
#
# 79 CYS HB- 39 THR MG2 4.00 (# 2400:20 Preassigned 3.58, 4.13 A)
&rst
ixpk= 2400, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1219,1220,
igr2= 607, 608, 609,
&end
#
# 0 AMB 20-2:2404 0 AMB 20-1:2404 4.00 (# 2404:20 Double Ambig)
&rst
ixpk= 2404, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1= 98, 81, 108, 71,
igr2= 102, 103, 104, 75, 76, 77, 112, 113, 114,
&end
#
# 0 AMB 20-2:2406 0 AMB 20-1:2406 3.00 (# 2406:20 Double Ambig)
&rst
ixpk= 2406, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 100, 73, 110,
igr2= 102, 103, 104, 75, 76, 77, 112, 113, 114,
&end
#
# 11 ASP HB- 8 ALA MB 6.00 (# 2407:20 Preassigned 11.05,12.15 A)
&rst
ixpk= 2407, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 143, 144,
igr2= 112, 113, 114,
&end
#
# 16 LEU HN 14 ILE QG2 4.00 (# 2411:20 Unique 3.13, 3.86 A)
&rst
ixpk= 2411, nxpk= 20, iat= 212, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 185, 186, 187,
&end
#
# 17 ASN HN 14 ILE QG2 3.00 (# 2412:20 Unique 1.99, 3.08 A)
&rst
ixpk= 2412, nxpk= 20, iat= 231, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 185, 186, 187,
&end
#
# 14 ILE HG1- 14 ILE QG2 3.00 (# 2413:20 Unique 2.53, 3.52 A)
&rst
ixpk= 2413, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 189, 190,
igr2= 185, 186, 187,
&end
#
# 0 AMB 20-2:2414 14 ILE QG2 3.00 (# 2414:20 Single Ambig)
&rst
ixpk= 2414, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 216, 217, 189, 190,
igr2= 185, 186, 187,
&end
#
# 14 ILE HN 14 ILE QG2 5.00 (# 2415:20 Unique 4.39, 4.52 A)
&rst
ixpk= 2415, nxpk= 20, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 185, 186, 187,
&end
#
# 15 THR HN 14 ILE QG2 5.00 (# 2416:20 Unique 3.81, 4.26 A)
&rst
ixpk= 2416, nxpk= 20, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 185, 186, 187,
&end
#
# 17 ASN HD2+ 14 ILE QG2 5.00 (# 2417:20 Unique 2.95, 4.13 A)
&rst
ixpk= 2417, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 240, 241,
igr2= 185, 186, 187,
&end
#
# 14 ILE HA 14 ILE QG2 3.00 (# 2418:20 Unique 2.45, 3.05 A)
&rst
ixpk= 2418, nxpk= 20, iat= 181, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 185, 186, 187,
&end
#
# 17 ASN HB+ 14 ILE QG2 5.00 (# 2419:20 Unique 2.91, 4.31 A)
&rst
ixpk= 2419, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 235, 236,
igr2= 185, 186, 187,
&end
#
# 14 ILE HB 14 ILE QG2 3.00 (# 2420:20 Unique 2.48, 2.67 A)
&rst
ixpk= 2420, nxpk= 20, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 185, 186, 187,
&end
#
# 63 ILE HG1+ 63 ILE QG2 3.00 (# 2421:20 Unique 2.34, 3.37 A)
&rst
ixpk= 2421, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 995, 996,
igr2= 991, 992, 993,
&end
#
# 65 GLY HN 63 ILE QG2 5.00 (# 2422:20 Preassigned 5.22, 5.82 A)
&rst
ixpk= 2422, nxpk= 20, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 991, 992, 993,
&end
#
# 108 PHE HN 63 ILE QG2 3.00 (# 2423:20 Preassigned 3.91, 4.34 A)
&rst
ixpk= 2423, nxpk= 20, iat=1652, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 991, 992, 993,
&end
#
# 63 ILE HA 63 ILE QG2 4.00 (# 2425:20 Preassigned 2.54, 3.13 A)
&rst
ixpk= 2425, nxpk= 20, iat= 987, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 991, 992, 993,
&end
#
# 63 ILE HB 63 ILE QG2 3.00 (# 2426:20 Unique 2.49, 2.68 A)
&rst
ixpk= 2426, nxpk= 20, iat= 989, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 991, 992, 993,
&end
#
# 0 AMB 20-2:2427 63 ILE QG2 3.00 (# 2427:20 Single Ambig)
&rst
ixpk= 2427, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1642,1643, 995, 996,
igr2= 991, 992, 993,
&end
#
# 63 ILE HN 63 ILE QG2 4.00 (# 2428:20 Unique 4.49, 4.56 A)
&rst
ixpk= 2428, nxpk= 20, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 991, 992, 993,
&end
#
# 0 AMB 20-2:2430 63 ILE QG2 5.00 (# 2430:20 Single Ambig)
&rst
ixpk= 2430, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1648, 282,
igr2= 991, 992, 993,
&end
#
# 107 PRO HB- 63 ILE QG2 3.00 (# 2431:20 Unique 2.37, 3.97 A)
&rst
ixpk= 2431, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1645,1646,
igr2= 991, 992, 993,
&end
#
# 100 ILE HN 100 ILE QG2 4.00 (# 2432:20 Unique 3.82, 4.40 A)
&rst
ixpk= 2432, nxpk= 20, iat=1524, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1530,1531,1532,
&end
#
# 0 AMB 20-2:2433 95 ILE QG2 5.00 (# 2433:20 Single Ambig)
&rst
ixpk= 2433, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 307, 502,
igr2=1460,1461,1462,
&end
#
# 32 TRP HH2 95 ILE QG2 5.00 (# 2434:20 Preassigned 7.94, 8.31 A)
&rst
ixpk= 2434, nxpk= 20, iat= 481, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1460,1461,1462,
&end
#
# 95 ILE HA 95 ILE QG2 4.00 (# 2435:20 Unique 2.63, 3.22 A)
&rst
ixpk= 2435, nxpk= 20, iat=1456, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1460,1461,1462,
&end
#
# 0 AMB 20-2:2436 95 ILE QG2 4.00 (# 2436:20 Single Ambig)
&rst
ixpk= 2436, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1464,1465,1477,1478,
igr2=1460,1461,1462,
&end
#
# 95 ILE HB 95 ILE QG2 3.00 (# 2437:20 Unique 2.49, 2.68 A)
&rst
ixpk= 2437, nxpk= 20, iat=1458, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1460,1461,1462,
&end
#
# 25 ALA MB 95 ILE QG2 5.00 (# 2438:20 Preassigned 2.46, 3.22 A)
&rst
ixpk= 2438, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 368, 369, 370,
igr2=1460,1461,1462,
&end
#
# 0 AMB 20-2:2439 95 ILE QG2 4.00 (# 2439:20 Single Ambig)
&rst
ixpk= 2439, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1=1464,1465,1482,1483,1484,1486,1487,1488,
igr2=1460,1461,1462,
&end
#
# 0 AMB 20-2:2440 95 ILE QG2 4.00 (# 2440:20 Single Ambig)
&rst
ixpk= 2440, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr1=1482,1483,1484,1486,1487,1488,1309,
igr2=1460,1461,1462,
&end
#
# 21 TRP HN 20 ALA MB 3.00 (# 2441:20 Unique 2.49, 3.31 A)
&rst
ixpk= 2441, nxpk= 20, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 284, 285, 286,
&end
#
# 20 ALA HN 20 ALA MB 3.00 (# 2442:20 Unique 2.51, 2.88 A)
&rst
ixpk= 2442, nxpk= 20, iat= 280, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 284, 285, 286,
&end
#
# 64 LEU MDY 20 ALA MB 3.00 (# 2446:20 Preassigned 2.92, 5.53 A)
&rst
ixpk= 2446, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1013,1014,1015,1017,1018,1019,
igr2= 284, 285, 286,
&end
#
# 67 LEU MDY 20 ALA MB 5.00 (# 2447:20 Unique 3.08, 5.37 A)
&rst
ixpk= 2447, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1053,1054,1055,1057,1058,1059,
igr2= 284, 285, 286,
&end
#
# 69 ALA HN 69 ALA MB 3.00 (# 2448:20 Unique 2.51, 2.88 A)
&rst
ixpk= 2448, nxpk= 20, iat=1074, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1078,1079,1080,
&end
#
# 70 GLN HN 69 ALA MB 4.00 (# 2449:20 Unique 2.50, 3.32 A)
&rst
ixpk= 2449, nxpk= 20, iat=1084, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1078,1079,1080,
&end
#
# 66 PRO HA 69 ALA MB 3.00 (# 2450:20 Unique 2.63, 3.43 A)
&rst
ixpk= 2450, nxpk= 20, iat=1040, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1078,1079,1080,
&end
#
# 69 ALA HA 69 ALA MB 3.00 (# 2451:20 Unique 2.47, 2.66 A)
&rst
ixpk= 2451, nxpk= 20, iat=1076, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1078,1079,1080,
&end
#
# 33 PHE HZ 25 ALA MB 5.00 (# 2452:20 Unique 2.80, 3.77 A)
&rst
ixpk= 2452, nxpk= 20, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 368, 369, 370,
&end
#
# 26 VAL HN 25 ALA MB 4.00 (# 2453:20 Unique 2.41, 3.25 A)
&rst
ixpk= 2453, nxpk= 20, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 368, 369, 370,
&end
#
# 32 TRP HH2 25 ALA MB 6.00 (# 2454:20 Preassigned 9.65,10.02 A)
&rst
ixpk= 2454, nxpk= 20, iat= 481, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 368, 369, 370,
&end
#
# 25 ALA HA 25 ALA MB 3.00 (# 2455:20 Unique 2.47, 2.66 A)
&rst
ixpk= 2455, nxpk= 20, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 368, 369, 370,
&end
#
# 22 LEU HA 25 ALA MB 4.00 (# 2456:20 Unique 2.93, 3.61 A)
&rst
ixpk= 2456, nxpk= 20, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 368, 369, 370,
&end
#
# 30 ASP HB+ 25 ALA MB 4.00 (# 2457:20 Unique 2.33, 4.19 A)
&rst
ixpk= 2457, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 434, 435,
igr2= 368, 369, 370,
&end
#
# 30 ASP HB- 25 ALA MB 4.00 (# 2458:20 Unique 2.33, 4.19 A)
&rst
ixpk= 2458, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 434, 435,
igr2= 368, 369, 370,
&end
#
# 0 AMB 20-2:2459 25 ALA MB 5.00 (# 2459:20 Single Ambig)
&rst
ixpk= 2459, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1482,1483,1484,1486,1487,1488,1464,1465,
igr2= 368, 369, 370,
&end
#
# 96 LEU MDX 25 ALA MB 4.00 (# 2460:20 Unique 3.26, 4.85 A)
&rst
ixpk= 2460, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1482,1483,1484,1486,1487,1488,
igr2= 368, 369, 370,
&end
#
# 95 ILE QG2 25 ALA MB 5.00 (# 2461:20 Unique 2.46, 3.22 A)
&rst
ixpk= 2461, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1460,1461,1462,
igr2= 368, 369, 370,
&end
#
# 101 LEU HN 100 ILE QG2 4.00 (# 2462:20 Unique 3.18, 3.97 A)
&rst
ixpk= 2462, nxpk= 20, iat=1543, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1530,1531,1532,
&end
#
# 100 ILE HA 100 ILE QG2 3.00 (# 2463:20 Unique 2.33, 2.89 A)
&rst
ixpk= 2463, nxpk= 20, iat=1526, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1530,1531,1532,
&end
#
# 0 AMB 20-2:2464 100 ILE QG2 5.00 (# 2464:20 Single Ambig)
&rst
ixpk= 2464, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1=1389,1390,1391,1385,1386,
igr2=1530,1531,1532,
&end
#
# 100 ILE HG1- 100 ILE QG2 3.00 (# 2465:20 Unique 2.59, 3.51 A)
&rst
ixpk= 2465, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1534,1535,
igr2=1530,1531,1532,
&end
#
# 24 ALA HA 24 ALA MB 3.00 (# 2466:20 Unique 2.47, 2.66 A)
&rst
ixpk= 2466, nxpk= 20, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 358, 359, 360,
&end
#
# 27 ILE HG1+ 24 ALA MB 5.00 (# 2467:20 Preassigned 6.36, 7.02 A)
&rst
ixpk= 2467, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 400, 401,
igr2= 358, 359, 360,
&end
#
# 27 ILE QD1 24 ALA MB 5.00 (# 2468:20 Unique 4.40, 5.87 A)
&rst
ixpk= 2468, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 403, 404, 405,
igr2= 358, 359, 360,
&end
#
# 96 LEU MDX 24 ALA MB 3.00 (# 2469:20 Unique 2.56, 4.79 A)
&rst
ixpk= 2469, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1482,1483,1484,1486,1487,1488,
igr2= 358, 359, 360,
&end
#
# 47 VAL HN 48 ALA MB 5.00 (# 2470:20 Preassigned 4.97, 5.42 A)
&rst
ixpk= 2470, nxpk= 20, iat= 727, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 747, 748, 749,
&end
#
# 48 ALA HA 48 ALA MB 3.00 (# 2471:20 Unique 2.47, 2.66 A)
&rst
ixpk= 2471, nxpk= 20, iat= 745, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 747, 748, 749,
&end
#
# 53 TYR HB+ 48 ALA MB 5.00 (# 2472:20 Unique 2.48, 3.55 A)
&rst
ixpk= 2472, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 831, 832,
igr2= 747, 748, 749,
&end
#
# 48 ALA HN 48 ALA MB 3.00 (# 2473:20 Unique 2.44, 2.88 A)
&rst
ixpk= 2473, nxpk= 20, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 747, 748, 749,
&end
#
# 49 MET HN 48 ALA MB 3.00 (# 2474:20 Unique 2.57, 3.38 A)
&rst
ixpk= 2474, nxpk= 20, iat= 753, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 747, 748, 749,
&end
#
# 45 ASN HA 48 ALA MB 3.00 (# 2475:20 Unique 2.30, 3.20 A)
&rst
ixpk= 2475, nxpk= 20, iat= 696, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 747, 748, 749,
&end
#
# 0 AMB 20-2:2476 27 ILE QG2 5.00 (# 2476:20 Single Ambig)
&rst
ixpk= 2476, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 390, 430, 364,
igr2= 396, 397, 398,
&end
#
# 0 AMB 20-2:2477 0 AMB 20-1:2477 5.00 (# 2477:20 Double Ambig)
&rst
ixpk= 2477, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 418, 419, 346,
igr2= 396, 397, 398,1128,1129,1130,
&end
#
# 68 SER HB+ 73 ILE QG2 5.00 (# 2478:20 Preassigned 4.81, 6.62 A)
&rst
ixpk= 2478, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1067,1068,
igr2=1128,1129,1130,
&end
#
# 27 ILE HA 27 ILE QG2 3.00 (# 2479:20 Unique 2.78, 3.35 A)
&rst
ixpk= 2479, nxpk= 20, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 396, 397, 398,
&end
#
# 77 ASP HB+ 73 ILE QG2 3.00 (# 2480:20 Unique 2.33, 3.96 A)
&rst
ixpk= 2480, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1190,1191,
igr2=1128,1129,1130,
&end
#
# 27 ILE HB 27 ILE QG2 3.00 (# 2481:20 Unique 2.48, 2.67 A)
&rst
ixpk= 2481, nxpk= 20, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 396, 397, 398,
&end
#
# 71 THR MG2 27 ILE QG2 5.00 (# 2482:20 Preassigned 5.32, 6.05 A)
&rst
ixpk= 2482, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1107,1108,1109,
igr2= 396, 397, 398,
&end
#
# 23 TYR HD 78 MET ME 4.00 (# 2484:20 Unique 3.22, 4.24 A)
&rst
ixpk= 2484, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 341, 350,
igr2=1209,1210,1211,
&end
#
# 78 MET HA 78 MET ME 4.00 (# 2485:20 Unique 3.48, 4.11 A)
&rst
ixpk= 2485, nxpk= 20, iat=1200, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1209,1210,1211,
&end
#
# 45 ASN HB- 48 ALA MB 5.00 (# 2486:20 Unique 4.50, 5.83 A)
&rst
ixpk= 2486, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 698, 699,
igr2= 747, 748, 749,
&end
#
# 78 MET HB+ 78 MET ME 4.00 (# 2487:20 Unique 2.49, 4.03 A)
&rst
ixpk= 2487, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1202,1203,
igr2=1209,1210,1211,
&end
#
# 0 AMB 20-2:2488 78 MET ME 3.00 (# 2488:20 Single Ambig)
&rst
ixpk= 2488, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 318, 319,1107,1108,1109,
igr2=1209,1210,1211,
&end
#
# 78 MET HN 73 ILE QG2 5.00 (# 2489:20 Unique 3.10, 3.45 A)
&rst
ixpk= 2489, nxpk= 20, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1128,1129,1130,
&end
#
# 73 ILE HA 73 ILE QG2 4.00 (# 2490:20 Preassigned 2.78, 3.34 A)
&rst
ixpk= 2490, nxpk= 20, iat=1124, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1128,1129,1130,
&end
#
# 77 ASP HB- 73 ILE QG2 4.00 (# 2491:20 Unique 2.33, 3.96 A)
&rst
ixpk= 2491, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1190,1191,
igr2=1128,1129,1130,
&end
#
# 23 TYR HE 78 MET ME 4.00 (# 2492:20 Unique 3.35, 4.55 A)
&rst
ixpk= 2492, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 343, 348,
igr2=1209,1210,1211,
&end
#
# 23 TYR HA 78 MET ME 3.00 (# 2493:20 Unique 2.58, 3.28 A)
&rst
ixpk= 2493, nxpk= 20, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1209,1210,1211,
&end
#
# 78 MET HG- 78 MET ME 3.00 (# 2494:20 Unique 2.55, 3.65 A)
&rst
ixpk= 2494, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1205,1206,
igr2=1209,1210,1211,
&end
#
# 78 MET HB- 78 MET ME 4.00 (# 2495:20 Unique 2.49, 4.03 A)
&rst
ixpk= 2495, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1202,1203,
igr2=1209,1210,1211,
&end
#
# 34 LEU MDX 78 MET ME 3.00 (# 2496:20 Unique 2.75, 5.58 A)
&rst
ixpk= 2496, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 519, 520, 521, 523, 524, 525,
igr2=1209,1210,1211,
&end
#
# 32 TRP HE1 95 ILE QD1 6.00 (# 2498:20 Unique 3.98, 4.44 A)
&rst
ixpk= 2498, nxpk= 20, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1467,1468,1469,
&end
#
# 96 LEU HN 95 ILE QD1 6.00 (# 2499:20 Unique 5.89, 6.31 A)
&rst
ixpk= 2499, nxpk= 20, iat=1473, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1467,1468,1469,
&end
#
# 95 ILE HN 95 ILE QD1 5.00 (# 2500:20 Unique 4.69, 5.22 A)
&rst
ixpk= 2500, nxpk= 20, iat=1454, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1467,1468,1469,
&end
#
# 32 TRP HZ2 95 ILE QD1 3.00 (# 2501:20 Unique 2.97, 3.83 A)
&rst
ixpk= 2501, nxpk= 20, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1467,1468,1469,
&end
#
# 32 TRP HH2 95 ILE QD1 4.00 (# 2502:20 Unique 4.56, 5.57 A)
&rst
ixpk= 2502, nxpk= 20, iat= 481, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1467,1468,1469,
&end
#
# 33 PHE HE 95 ILE QD1 5.00 (# 2503:20 Unique 3.73, 5.24 A)
&rst
ixpk= 2503, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 500, 504,
igr2=1467,1468,1469,
&end
#
# 0 AMB 20-2:2504 95 ILE QD1 4.00 (# 2504:20 Single Ambig)
&rst
ixpk= 2504, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1456,1373,1374,
igr2=1467,1468,1469,
&end
#
# 0 AMB 20-2:2505 95 ILE QD1 6.00 (# 2505:20 Single Ambig)
&rst
ixpk= 2505, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1545,1503,1504,
igr2=1467,1468,1469,
&end
#
# 0 AMB 20-2:2506 95 ILE QD1 6.00 (# 2506:20 Single Ambig)
&rst
ixpk= 2506, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 492,1373,1374,1248, 512, 263,
igr2=1467,1468,1469,
&end
#
# 0 AMB 20-2:2507 95 ILE QD1 6.00 (# 2507:20 Single Ambig)
&rst
ixpk= 2507, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 316, 294, 295,
igr2=1467,1468,1469,
&end
#
# 33 PHE HB+ 95 ILE QD1 5.00 (# 2508:20 Unique 3.04, 4.36 A)
&rst
ixpk= 2508, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 494, 495,
igr2=1467,1468,1469,
&end
#
# 90 MET HB- 95 ILE QD1 5.00 (# 2509:20 Unique 5.04, 5.82 A)
&rst
ixpk= 2509, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1382,1383,
igr2=1467,1468,1469,
&end
#
# 0 AMB 20-2:2510 95 ILE QD1 3.00 (# 2510:20 Single Ambig)
&rst
ixpk= 2510, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1385,1386,1389,1390,1391,
igr2=1467,1468,1469,
&end
#
# 95 ILE HG1+ 95 ILE QD1 3.00 (# 2511:20 Unique 2.48, 2.67 A)
&rst
ixpk= 2511, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1464,1465,
igr2=1467,1468,1469,
&end
#
# 95 ILE HB 95 ILE QD1 3.00 (# 2512:20 Unique 2.58, 3.15 A)
&rst
ixpk= 2512, nxpk= 20, iat=1458, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1467,1468,1469,
&end
#
# 0 AMB 20-2:2513 95 ILE QD1 4.00 (# 2513:20 Single Ambig)
&rst
ixpk= 2513, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 368, 369, 370, 318, 319,
igr2=1467,1468,1469,
&end
#
# 85 LEU HB- 95 ILE QD1 6.00 (# 2514:20 Preassigned 4.94, 5.64 A)
&rst
ixpk= 2514, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1306,1307,
igr2=1467,1468,1469,
&end
#
# 0 AMB 20-2:2515 95 ILE QD1 5.00 (# 2515:20 Single Ambig)
&rst
ixpk= 2515, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.72, r4=10.22,
igr1=1311,1312,1313,1315,1316,1317,1552,1553,1554,1556,
1557,1558,1552,1553,1554,1556,1557,1558,
igr2=1467,1468,1469,
&end
#
# 22 LEU MDY 95 ILE QD1 4.00 (# 2516:20 Unique 2.45, 4.59 A)
&rst
ixpk= 2516, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 323, 324, 325, 327, 328, 329,
igr2=1467,1468,1469,
&end
#
# 85 LEU HG 95 ILE QD1 5.00 (# 2517:20 Unique 3.39, 3.51 A)
&rst
ixpk= 2517, nxpk= 20, iat=1309, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1467,1468,1469,
&end
#
# 95 ILE QG2 95 ILE QD1 3.00 (# 2518:20 Unique 2.06, 3.70 A)
&rst
ixpk= 2518, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1460,1461,1462,
igr2=1467,1468,1469,
&end
#
# 21 TRP HE3 95 ILE QD1 5.00 (# 2519:20 Preassigned 5.36, 5.92 A)
&rst
ixpk= 2519, nxpk= 20, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1467,1468,1469,
&end
#
# 0 AMB 20-2:2520 98 SER HB- 4.00 (# 2520:20 Single Ambig)
&rst
ixpk= 2520, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1499,1510,
igr2=1503,1504,
&end
#
# 3 GLN HG+ 3 GLN HA 4.00 (# 2521:20 Unique 2.69, 2.78 A)
&rst
ixpk= 2521, nxpk= 20, iat= -1, 42, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 47, 48,
&end
#
# 114 CYS HA 113 GLN HG+ 6.00 (# 2522:20 Unique 6.58, 6.63 A)
&rst
ixpk= 2522, nxpk= 20, iat=1759, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1747,1748,
&end
#
# 3 GLN HA 3 GLN HG+ 4.00 (# 2523:20 Unique 2.69, 2.78 A)
&rst
ixpk= 2523, nxpk= 20, iat= 42, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 47, 48,
&end
#
# 6 GLN HA 6 GLN HG+ 4.00 (# 2524:20 Unique 3.72, 3.82 A)
&rst
ixpk= 2524, nxpk= 20, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 88, 89,
&end
#
# 78 MET HN 75 VAL HA 4.00 (# 2526:20 Unique 3.09, 3.09 A)
&rst
ixpk= 2526, nxpk= 20, iat=1198,1153, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 74 ALA MB 75 VAL HA 6.00 (# 2527:20 Preassigned 4.94, 5.42 A)
&rst
ixpk= 2527, nxpk= 20, iat= -1,1153, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1145,1146,1147,
&end
#
# 20 ALA HN 20 ALA MB 3.00 (# 2529:20 Unique 2.51, 2.88 A)
&rst
ixpk= 2529, nxpk= 20, iat= 280, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 284, 285, 286,
&end
#
# 0 AMB 20-2:2530 0 AMB 20-1:2530 5.00 (# 2530:20 Double Ambig)
&rst
ixpk= 2530, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 333, 827,
igr2= 263, 772,
&end
#
# 0 AMB 20-2:2531 0 AMB 20-1:2531 3.00 (# 2531:20 Double Ambig)
&rst
ixpk= 2531, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 777, 778,1255,1256,1257,1259,1260,1261,
igr2= 772, 263,
&end
#
# 0 AMB 20-2:2532 19 LEU HA 3.00 (# 2532:20 Single Ambig)
&rst
ixpk= 2532, nxpk= 20, iat= -1, 263, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 265, 266,1250,1251,
&end
#
# 20 ALA HN 19 LEU HB+ 5.00 (# 2533:20 Unique 2.54, 3.03 A)
&rst
ixpk= 2533, nxpk= 20, iat= 280, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 265, 266,
&end
#
# 0 AMB 20-2:2534 19 LEU HG 4.00 (# 2534:20 Single Ambig)
&rst
ixpk= 2534, nxpk= 20, iat= -1, 268, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 265, 266,1250,1251,
&end
#
# 19 LEU HA 19 LEU HG 4.00 (# 2535:20 Unique 2.91, 2.91 A)
&rst
ixpk= 2535, nxpk= 20, iat= 263, 268, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:2536 19 LEU MDX 5.00 (# 2536:20 Single Ambig)
&rst
ixpk= 2536, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 684, 688, 682, 690,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 17 ASN HN 19 LEU MDX 6.00 (# 2537:20 Unique 5.40, 7.22 A)
&rst
ixpk= 2537, nxpk= 20, iat= 231, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 20 ALA HN 19 LEU MDX 6.00 (# 2538:20 Unique 4.81, 5.67 A)
&rst
ixpk= 2538, nxpk= 20, iat= 280, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 0 AMB 20-2:2539 19 LEU MDX 6.00 (# 2539:20 Single Ambig)
&rst
ixpk= 2539, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 212,1265,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 16 LEU HA 19 LEU MDY 5.00 (# 2541:20 Unique 2.58, 4.89 A)
&rst
ixpk= 2541, nxpk= 20, iat= 214, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 53 TYR HD 18 VAL HB 6.00 (# 2542:20 Unique 4.65, 6.25 A)
&rst
ixpk= 2542, nxpk= 20, iat= -1, 249, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 835, 844,
&end
#
# 53 TYR HE 18 VAL MGX 3.00 (# 2543:20 Unique 2.03, 5.21 A)
&rst
ixpk= 2543, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 837, 842,
igr2= 251, 252, 253, 255, 256, 257,
&end
#
# 18 VAL HB 18 VAL MGX 3.00 (# 2544:20 Unique 2.46, 2.67 A)
&rst
ixpk= 2544, nxpk= 20, iat= 249, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 251, 252, 253, 255, 256, 257,
&end
#
# 53 TYR HD 18 VAL MGY 5.00 (# 2545:20 Unique 4.17, 6.87 A)
&rst
ixpk= 2545, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 835, 844,
igr2= 251, 252, 253, 255, 256, 257,
&end
#
# 21 TRP HN 18 VAL MGY 6.00 (# 2546:20 Preassigned 5.29, 6.05 A)
&rst
ixpk= 2546, nxpk= 20, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 251, 252, 253, 255, 256, 257,
&end
#
# 86 LEU MDX 18 VAL MGY 6.00 (# 2547:20 Unique 5.19, 7.97 A)
&rst
ixpk= 2547, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1=1330,1331,1332,1334,1335,1336,
igr2= 251, 252, 253, 255, 256, 257,
&end
#
# 0 AMB 20-2:2548 0 AMB 20-1:2548 5.00 (# 2548:20 Double Ambig)
&rst
ixpk= 2548, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 40, 261,
igr2= 6, 233,
&end
#
# 16 LEU HN 17 ASN HA 6.00 (# 2549:20 Unique 5.51, 5.51 A)
&rst
ixpk= 2549, nxpk= 20, iat= 212, 233, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:2550 28 ASN HA 5.00 (# 2550:20 Single Ambig)
&rst
ixpk= 2550, nxpk= 20, iat= -1, 411, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 425, 426, 392,
&end
#
# 105 PHE HN 17 ASN HB+ 6.00 (# 2551:20 Unique 2.44, 3.26 A)
&rst
ixpk= 2551, nxpk= 20, iat=1604, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 235, 236,
&end
#
# 105 PHE HN 17 ASN HB- 6.00 (# 2552:20 Unique 2.44, 3.26 A)
&rst
ixpk= 2552, nxpk= 20, iat=1604, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 235, 236,
&end
#
# 21 TRP HB+ 17 ASN HB+ 6.00 (# 2553:20 Preassigned 4.66, 5.44 A)
&rst
ixpk= 2553, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 294, 295,
igr2= 235, 236,
&end
#
# 21 TRP HB+ 17 ASN HB- 6.00 (# 2554:20 Preassigned 4.66, 5.44 A)
&rst
ixpk= 2554, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 294, 295,
igr2= 235, 236,
&end
#
# 0 AMB 20-2:2555 17 ASN HB- 6.00 (# 2555:20 Single Ambig)
&rst
ixpk= 2555, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 251, 252, 253, 255, 256, 257, 189, 190,
igr2= 235, 236,
&end
#
# 21 TRP HD1 21 TRP HA 5.00 (# 2556:20 Unique 3.02, 3.02 A)
&rst
ixpk= 2556, nxpk= 20, iat= 298, 292, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 21 TRP HE3 21 TRP HB- 4.00 (# 2557:20 Unique 2.53, 3.32 A)
&rst
ixpk= 2557, nxpk= 20, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 294, 295,
&end
#
# 105 PHE HD 21 TRP HB+ 5.00 (# 2558:20 Unique 2.44, 5.04 A)
&rst
ixpk= 2558, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1612,1620,
igr2= 294, 295,
&end
#
# 105 PHE HD 21 TRP HB- 5.00 (# 2559:20 Unique 2.44, 5.04 A)
&rst
ixpk= 2559, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1612,1620,
igr2= 294, 295,
&end
#
# 20 ALA HN 21 TRP HB+ 6.00 (# 2560:20 Unique 4.75, 5.07 A)
&rst
ixpk= 2560, nxpk= 20, iat= 280, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 294, 295,
&end
#
# 20 ALA HN 21 TRP HB- 6.00 (# 2561:20 Unique 4.75, 5.07 A)
&rst
ixpk= 2561, nxpk= 20, iat= 280, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 294, 295,
&end
#
# 105 PHE HB+ 21 TRP HB+ 6.00 (# 2564:20 Unique 2.78, 4.38 A)
&rst
ixpk= 2564, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1608,1609,
igr2= 294, 295,
&end
#
# 105 PHE HB+ 21 TRP HB- 6.00 (# 2565:20 Unique 2.78, 4.38 A)
&rst
ixpk= 2565, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1608,1609,
igr2= 294, 295,
&end
#
# 18 VAL HA 21 TRP HB- 5.00 (# 2566:20 Unique 2.33, 2.98 A)
&rst
ixpk= 2566, nxpk= 20, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 294, 295,
&end
#
# 26 VAL HN 22 LEU HA 6.00 (# 2567:20 Unique 4.26, 4.26 A)
&rst
ixpk= 2567, nxpk= 20, iat= 374, 316, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 23 TYR HN 22 LEU HA 5.00 (# 2568:20 Unique 3.66, 3.66 A)
&rst
ixpk= 2568, nxpk= 20, iat= 333, 316, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 96 LEU MDX 22 LEU HA 5.00 (# 2569:20 Preassigned 5.10, 6.67 A)
&rst
ixpk= 2569, nxpk= 20, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1482,1483,1484,1486,1487,1488,
&end
#
# 78 MET ME 22 LEU HA 6.00 (# 2570:20 Preassigned 5.04, 5.54 A)
&rst
ixpk= 2570, nxpk= 20, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1209,1210,1211,
&end
#
# 0 AMB 20-2:2572 22 LEU HB- 4.00 (# 2572:20 Single Ambig)
&rst
ixpk= 2572, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 263, 335,
igr2= 318, 319,
&end
#
# 26 VAL MGY 22 LEU HB- 6.00 (# 2574:20 Preassigned 4.09, 6.81 A)
&rst
ixpk= 2574, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 380, 381, 382, 384, 385, 386,
igr2= 318, 319,
&end
#
# 78 MET ME 22 LEU HB+ 4.00 (# 2575:20 Unique 3.20, 3.94 A)
&rst
ixpk= 2575, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1209,1210,1211,
igr2= 318, 319,
&end
#
# 22 LEU MDY 22 LEU HB- 4.00 (# 2576:20 Unique 2.39, 3.38 A)
&rst
ixpk= 2576, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 323, 324, 325, 327, 328, 329,
igr2= 318, 319,
&end
#
# 21 TRP HE3 22 LEU HG 5.00 (# 2577:20 Unique 2.70, 2.70 A)
&rst
ixpk= 2577, nxpk= 20, iat= 309, 321, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 22 LEU HB- 22 LEU HG 5.00 (# 2578:20 Unique 2.42, 2.74 A)
&rst
ixpk= 2578, nxpk= 20, iat= -1, 321, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 318, 319,
&end
#
# 0 AMB 20-2:2579 22 LEU MDX 5.00 (# 2579:20 Single Ambig)
&rst
ixpk= 2579, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 333,1321,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 0 AMB 20-2:2580 22 LEU MDX 6.00 (# 2580:20 Single Ambig)
&rst
ixpk= 2580, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 305, 374,1543,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 33 PHE HE 22 LEU MDX 5.00 (# 2581:20 Unique 2.37, 4.63 A)
&rst
ixpk= 2581, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 500, 504,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 0 AMB 20-2:2582 22 LEU MDX 5.00 (# 2582:20 Single Ambig)
&rst
ixpk= 2582, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 294, 295, 356,1475,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 0 AMB 20-2:2583 22 LEU MDX 5.00 (# 2583:20 Single Ambig)
&rst
ixpk= 2583, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1545,1503,1504,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 21 TRP HE3 22 LEU MDY 5.00 (# 2585:20 Unique 3.01, 4.46 A)
&rst
ixpk= 2585, nxpk= 20, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 0 AMB 20-2:2586 22 LEU MDY 5.00 (# 2586:20 Single Ambig)
&rst
ixpk= 2586, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 307, 502,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 0 AMB 20-2:2587 22 LEU MDY 6.00 (# 2587:20 Single Ambig)
&rst
ixpk= 2587, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=1238, 247,1456,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 95 ILE QD1 22 LEU MDY 5.00 (# 2588:20 Unique 2.45, 4.59 A)
&rst
ixpk= 2588, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1467,1468,1469,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 23 TYR HN 23 TYR HA 4.00 (# 2589:20 Unique 2.84, 2.84 A)
&rst
ixpk= 2589, nxpk= 20, iat= 333, 335, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:2590 23 TYR HA 5.00 (# 2590:20 Single Ambig)
&rst
ixpk= 2590, nxpk= 20, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1=1107,1108,1109, 318, 319,
&end
#
# 67 LEU HB+ 23 TYR HB+ 5.00 (# 2591:20 Unique 2.41, 3.41 A)
&rst
ixpk= 2591, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1048,1049,
igr2= 337, 338,
&end
#
# 0 AMB 20-2:2592 24 ALA HA 4.00 (# 2592:20 Single Ambig)
&rst
ixpk= 2592, nxpk= 20, iat= -1, 356, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 390, 364,
&end
#
# 27 ILE QD1 24 ALA HA 4.00 (# 2593:20 Unique 2.66, 3.64 A)
&rst
ixpk= 2593, nxpk= 20, iat= -1, 356, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 403, 404, 405,
&end
#
# 0 AMB 20-2:2594 24 ALA MB 5.00 (# 2594:20 Single Ambig)
&rst
ixpk= 2594, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 294, 295, 316,
igr2= 358, 359, 360,
&end
#
# 24 ALA HN 24 ALA MB 3.00 (# 2595:20 Unique 2.51, 2.88 A)
&rst
ixpk= 2595, nxpk= 20, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 358, 359, 360,
&end
#
# 95 ILE QG2 25 ALA HA 6.00 (# 2596:20 Unique 4.50, 4.95 A)
&rst
ixpk= 2596, nxpk= 20, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1460,1461,1462,
&end
#
# 96 LEU MDY 25 ALA HA 3.00 (# 2597:20 Unique 2.21, 3.43 A)
&rst
ixpk= 2597, nxpk= 20, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1482,1483,1484,1486,1487,1488,
&end
#
# 30 ASP HN 25 ALA MB 5.00 (# 2598:20 Preassigned 4.26, 5.04 A)
&rst
ixpk= 2598, nxpk= 20, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 368, 369, 370,
&end
#
# 83 LYS HB- 47 VAL MGX 4.00 (# 2603:20 Preassigned 4.43, 6.01 A)
&rst
ixpk= 2603, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1269,1270,
igr2= 733, 734, 735, 737, 738, 739,
&end
#
# 0 AMB 20-2:2604 47 VAL MGX 3.00 (# 2604:20 Single Ambig)
&rst
ixpk= 2604, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 731, 712, 713,
igr2= 733, 734, 735, 737, 738, 739,
&end
#
# 28 ASN HN 27 ILE HA 4.00 (# 2607:20 Unique 3.59, 3.59 A)
&rst
ixpk= 2607, nxpk= 20, iat= 409, 392, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 27 ILE HB 27 ILE HA 3.00 (# 2608:20 Unique 3.02, 3.02 A)
&rst
ixpk= 2608, nxpk= 20, iat= 394, 392, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:2609 27 ILE HA 3.00 (# 2609:20 Single Ambig)
&rst
ixpk= 2609, nxpk= 20, iat= -1, 392, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 400, 401, 396, 397, 398, 380, 381, 382, 384, 385,
386,
&end
#
# 0 AMB 20-2:2610 27 ILE HA 4.00 (# 2610:20 Single Ambig)
&rst
ixpk= 2610, nxpk= 20, iat= -1, 392, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 403, 404, 405,1053,1054,1055,1057,1058,1059,
&end
#
# 0 AMB 20-2:2611 27 ILE HB 6.00 (# 2611:20 Single Ambig)
&rst
ixpk= 2611, nxpk= 20, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 374, 442,
&end
#
# 28 ASN HD2- 27 ILE HB 6.00 (# 2612:20 Unique 3.54, 4.12 A)
&rst
ixpk= 2612, nxpk= 20, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 418, 419,
&end
#
# 71 THR MG2 27 ILE HG1- 3.00 (# 2613:20 Unique 2.33, 2.92 A)
&rst
ixpk= 2613, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1107,1108,1109,
igr2= 400, 401,
&end
#
# 70 GLN HB- 27 ILE QD1 4.00 (# 2614:20 Unique 3.54, 4.72 A)
&rst
ixpk= 2614, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1088,1089,
igr2= 403, 404, 405,
&end
#
# 0 AMB 20-2:2615 27 ILE QD1 4.00 (# 2615:20 Single Ambig)
&rst
ixpk= 2615, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 390, 364,
igr2= 403, 404, 405,
&end
#
# 71 THR HA 27 ILE QD1 6.00 (# 2616:20 Unique 5.57, 6.36 A)
&rst
ixpk= 2616, nxpk= 20, iat=1103, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 403, 404, 405,
&end
#
# 0 AMB 20-2:2617 27 ILE QD1 4.00 (# 2617:20 Single Ambig)
&rst
ixpk= 2617, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 356,1046,
igr2= 403, 404, 405,
&end
#
# 27 ILE HG1- 27 ILE QD1 3.00 (# 2618:20 Unique 2.48, 2.67 A)
&rst
ixpk= 2618, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 400, 401,
igr2= 403, 404, 405,
&end
#
# 0 AMB 20-2:2619 27 ILE QD1 4.00 (# 2619:20 Single Ambig)
&rst
ixpk= 2619, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1107,1108,1109, 358, 359, 360,
igr2= 403, 404, 405,
&end
#
# 25 ALA MB 28 ASN HB+ 6.00 (# 2620:20 Preassigned 5.09, 6.10 A)
&rst
ixpk= 2620, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 368, 369, 370,
igr2= 413, 414,
&end
#
# 30 ASP HN 29 GLY HA+ 4.00 (# 2621:20 Unique 2.98, 3.24 A)
&rst
ixpk= 2621, nxpk= 20, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 425, 426,
&end
#
# 30 ASP HA 29 GLY HA+ 6.00 (# 2623:20 Unique 4.65, 4.66 A)
&rst
ixpk= 2623, nxpk= 20, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 425, 426,
&end
#
# 28 ASN HA 29 GLY HA+ 5.00 (# 2624:20 Unique 4.60, 4.78 A)
&rst
ixpk= 2624, nxpk= 20, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 425, 426,
&end
#
# 32 TRP HD1 30 ASP HA 5.00 (# 2625:20 Unique 3.63, 3.63 A)
&rst
ixpk= 2625, nxpk= 20, iat= 474, 432, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 20-2:2626 30 ASP HA 5.00 (# 2626:20 Single Ambig)
&rst
ixpk= 2626, nxpk= 20, iat= -1, 432, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 444, 366,
&end
#
# 30 ASP HA 30 ASP HB- 3.00 (# 2628:20 Unique 2.46, 2.76 A)
&rst
ixpk= 2628, nxpk= 20, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 434, 435,
&end
#
# 0 AMB 20-2:2629 31 ARG HA 4.00 (# 2629:20 Single Ambig)
&rst
ixpk= 2629, nxpk= 20, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 442, 374,
&end
#
# 0 AMB 20-2:2630 31 ARG HA 6.00 (# 2630:20 Single Ambig)
&rst
ixpk= 2630, nxpk= 20, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 430, 390, 364,
&end
#
# 33 PHE HE 31 ARG HA 6.00 (# 2631:20 Unique 3.79, 4.78 A)
&rst
ixpk= 2631, nxpk= 20, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 500, 504,
&end
#
# 32 TRP HA 31 ARG HA 5.00 (# 2632:20 Unique 4.46, 4.46 A)
&rst
ixpk= 2632, nxpk= 20, iat= 468, 444, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 26 VAL MGX 31 ARG HA 4.00 (# 2633:20 Unique 2.55, 4.18 A)
&rst
ixpk= 2633, nxpk= 20, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 380, 381, 382, 384, 385, 386,
&end
#
# 31 ARG HN 31 ARG HB+ 5.00 (# 2634:20 Unique 2.46, 2.46 A)
&rst
ixpk= 2634, nxpk= 20, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 446, 447,
&end
#
# 31 ARG HG+ 31 ARG HB- 3.00 (# 2637:20 Unique 2.40, 2.75 A)
&rst
ixpk= 2637, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 449, 450,
igr2= 446, 447,
&end
#
# 26 VAL MGX 31 ARG HB- 4.00 (# 2638:20 Unique 2.39, 4.52 A)
&rst
ixpk= 2638, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 380, 381, 382, 384, 385, 386,
igr2= 446, 447,
&end
#
# 26 VAL MGX 31 ARG HB+ 3.00 (# 2639:20 Unique 2.39, 4.52 A)
&rst
ixpk= 2639, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 380, 381, 382, 384, 385, 386,
igr2= 446, 447,
&end
#
# 0 AMB 20-2:2640 0 AMB 20-1:2640 5.00 (# 2640:20 Double Ambig)
&rst
ixpk= 2640, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 442, 374,
igr2= 449, 450, 449, 450,
&end
#
# 31 ARG HD- 31 ARG HG+ 3.00 (# 2641:20 Unique 2.42, 2.63 A)
&rst
ixpk= 2641, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 452, 453,
igr2= 449, 450,
&end
#
# 31 ARG HN 31 ARG HD- 6.00 (# 2642:20 Preassigned 4.88, 5.42 A)
&rst
ixpk= 2642, nxpk= 20, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 452, 453,
&end
#
# 34 LEU HG 31 ARG HD+ 4.00 (# 2644:20 Unique 3.67, 4.37 A)
&rst
ixpk= 2644, nxpk= 20, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 452, 453,
&end
#
# 31 ARG HB- 31 ARG HD+ 3.00 (# 2645:20 Unique 2.47, 3.32 A)
&rst
ixpk= 2645, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 446, 447,
igr2= 452, 453,
&end
#
# 31 ARG HN 32 TRP HB+ 6.00 (# 2647:20 Unique 5.02, 5.85 A)
&rst
ixpk= 2647, nxpk= 20, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 470, 471,
&end
#
# 31 ARG HN 32 TRP HB- 6.00 (# 2648:20 Unique 5.02, 5.85 A)
&rst
ixpk= 2648, nxpk= 20, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 470, 471,
&end
#
# 33 PHE HD 32 TRP HB+ 6.00 (# 2649:20 Unique 4.85, 6.60 A)
&rst
ixpk= 2649, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 498, 506,
igr2= 470, 471,
&end
#
# 33 PHE HD 32 TRP HB- 6.00 (# 2650:20 Unique 4.85, 6.60 A)
&rst
ixpk= 2650, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 498, 506,
igr2= 470, 471,
&end
#
# 32 TRP HN 33 PHE HB- 5.00 (# 2653:20 Unique 4.56, 4.94 A)
&rst
ixpk= 2653, nxpk= 20, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 494, 495,
&end
#
# 32 TRP HH2 33 PHE HB- 5.00 (# 2655:20 Unique 3.72, 4.23 A)
&rst
ixpk= 2655, nxpk= 20, iat= 481, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 494, 495,
&end
#
# 34 LEU HN 33 PHE HB- 6.00 (# 2656:20 Unique 3.97, 4.09 A)
&rst
ixpk= 2656, nxpk= 20, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 494, 495,
&end
#
# 32 TRP HN 33 PHE HB+ 6.00 (# 2657:20 Unique 4.56, 4.94 A)
&rst
ixpk= 2657, nxpk= 20, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 494, 495,
&end
#
# 32 TRP HH2 33 PHE HB+ 6.00 (# 2659:20 Unique 3.72, 4.23 A)
&rst
ixpk= 2659, nxpk= 20, iat= 481, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 494, 495,
&end
#
# 34 LEU HN 33 PHE HB+ 6.00 (# 2660:20 Unique 3.97, 4.09 A)
&rst
ixpk= 2660, nxpk= 20, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 494, 495,
&end
#
# 85 LEU MDX 33 PHE HB- 6.00 (# 2661:20 Unique 2.28, 4.19 A)
&rst
ixpk= 2661, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1311,1312,1313,1315,1316,1317,
igr2= 494, 495,
&end
#
# 81 ALA MB 33 PHE HB- 5.00 (# 2662:20 Unique 4.37, 6.19 A)
&rst
ixpk= 2662, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1240,1241,1242,
igr2= 494, 495,
&end
#
# 95 ILE QD1 33 PHE HB- 5.00 (# 2663:20 Unique 3.04, 4.36 A)
&rst
ixpk= 2663, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1467,1468,1469,
igr2= 494, 495,
&end
#
# 22 LEU MDX 33 PHE HB+ 6.00 (# 2664:20 Unique 5.02, 6.14 A)
&rst
ixpk= 2664, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 323, 324, 325, 327, 328, 329,
igr2= 494, 495,
&end
#
# 0 AMB 20-2:2665 0 AMB 20-1:2665 6.00 (# 2665:20 Double Ambig)
&rst
ixpk= 2665, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1342,1289,
igr2=1325,1326,1325,1326,
&end
#
# 34 LEU MDX 34 LEU HB- 3.00 (# 2666:20 Unique 2.49, 3.55 A)
&rst
ixpk= 2666, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 519, 520, 521, 523, 524, 525,
igr2= 514, 515,
&end
#
# 35 ASN HN 34 LEU HG 6.00 (# 2667:20 Unique 4.48, 4.48 A)
&rst
ixpk= 2667, nxpk= 20, iat= 529, 517, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 34 LEU HN 34 LEU HG 5.00 (# 2668:20 Unique 4.41, 4.41 A)
&rst
ixpk= 2668, nxpk= 20, iat= 510, 517, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 34 LEU HA 34 LEU HG 5.00 (# 2671:20 Unique 3.62, 3.62 A)
&rst
ixpk= 2671, nxpk= 20, iat= 512, 517, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 ARG HA 34 LEU HG 5.00 (# 2672:20 Unique 4.67, 4.67 A)
&rst
ixpk= 2672, nxpk= 20, iat= 444, 517, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 26 VAL HB 34 LEU HG 6.00 (# 2674:20 Unique 5.39, 5.39 A)
&rst
ixpk= 2674, nxpk= 20, iat= 378, 517, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 34 LEU HB+ 34 LEU HG 3.00 (# 2675:20 Unique 2.35, 2.46 A)
&rst
ixpk= 2675, nxpk= 20, iat= -1, 517, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 514, 515,
&end
#
# 0 AMB 20-2:2676 34 LEU HG 3.00 (# 2676:20 Single Ambig)
&rst
ixpk= 2676, nxpk= 20, iat= -1, 517, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 514, 515, 449, 450,1132,1133,
&end
#
# 0 AMB 20-2:2680 0 AMB 20-1:2680 5.00 (# 2680:20 Double Ambig)
&rst
ixpk= 2680, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 512, 631,
igr2= 533, 534, 666, 667,
&end
#
# 37 PHE HN 36 ARG HB+ 5.00 (# 2681:20 Unique 3.25, 3.68 A)
&rst
ixpk= 2681, nxpk= 20, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 547, 548,
&end
#
# 37 PHE HN 36 ARG HB- 5.00 (# 2682:20 Unique 3.25, 3.68 A)
&rst
ixpk= 2682, nxpk= 20, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 547, 548,
&end
#
# 36 ARG HG+ 36 ARG HB- 3.00 (# 2683:20 Unique 2.26, 2.67 A)
&rst
ixpk= 2683, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 550, 551,
igr2= 547, 548,
&end
#
# 0 AMB 20-2:2684 0 AMB 20-1:2684 5.00 (# 2684:20 Double Ambig)
&rst
ixpk= 2684, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 543, 529,
igr2= 550, 551, 550, 551,
&end
#
# 37 PHE HN 36 ARG HG+ 5.00 (# 2686:20 Unique 4.90, 5.25 A)
&rst
ixpk= 2686, nxpk= 20, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 550, 551,
&end
#
# 38 THR HN 37 PHE HA 4.00 (# 2687:20 Unique 1.98, 1.98 A)
&rst
ixpk= 2687, nxpk= 20, iat= 587, 569, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 37 PHE HN 37 PHE HA 5.00 (# 2688:20 Unique 2.78, 2.78 A)
&rst
ixpk= 2688, nxpk= 20, iat= 567, 569, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 37 PHE HB+ 37 PHE HA 6.00 (# 2689:20 Unique 2.39, 2.71 A)
&rst
ixpk= 2689, nxpk= 20, iat= -1, 569, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 571, 572,
&end
#
# 37 PHE HB- 37 PHE HA 4.00 (# 2690:20 Unique 2.39, 2.71 A)
&rst
ixpk= 2690, nxpk= 20, iat= -1, 569, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 571, 572,
&end
#
# 39 THR HN 38 THR HB 5.00 (# 2692:20 Unique 4.48, 4.48 A)
&rst
ixpk= 2692, nxpk= 20, iat= 601, 591, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 20-2:2694 39 THR HA 4.00 (# 2694:20 Single Ambig)
&rst
ixpk= 2694, nxpk= 20, iat= -1, 603, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 607, 608, 609, 593, 594, 595,
&end
#
# 43 ASP HB+ 39 THR HA 5.00 (# 2695:20 Unique 4.69, 5.19 A)
&rst
ixpk= 2695, nxpk= 20, iat= -1, 603, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 666, 667,
&end
#
# 44 PHE HN 41 LEU HA 5.00 (# 2697:20 Unique 3.61, 3.61 A)
&rst
ixpk= 2697, nxpk= 20, iat= 674, 631, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 20-2:2699 41 LEU HG 6.00 (# 2699:20 Single Ambig)
&rst
ixpk= 2699, nxpk= 20, iat= -1, 636, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 650, 696,
&end
#
# 0 AMB 20-2:2700 41 LEU MDX 6.00 (# 2700:20 Single Ambig)
&rst
ixpk= 2700, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 629, 896,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 44 PHE HD 42 ASN HA 6.00 (# 2701:20 Unique 5.64, 6.92 A)
&rst
ixpk= 2701, nxpk= 20, iat= -1, 650, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 682, 690,
&end
#
# 0 AMB 20-2:2703 0 AMB 20-1:2703 4.00 (# 2703:20 Double Ambig)
&rst
ixpk= 2703, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 543, 529,
igr2= 533, 534, 533, 534,
&end
#
# 43 ASP HN 44 PHE HA 6.00 (# 2704:20 Unique 5.41, 5.41 A)
&rst
ixpk= 2704, nxpk= 20, iat= 662, 676, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 46 LEU HN 44 PHE HA 6.00 (# 2705:20 Unique 4.61, 4.61 A)
&rst
ixpk= 2705, nxpk= 20, iat= 708, 676, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:2706 44 PHE HB- 5.00 (# 2706:20 Single Ambig)
&rst
ixpk= 2706, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 638, 639, 640, 642, 643, 644,1176,1177,1178,1180,
1181,1182,
igr2= 678, 679,
&end
#
# 49 MET HN 45 ASN HA 5.00 (# 2707:20 Unique 3.54, 3.54 A)
&rst
ixpk= 2707, nxpk= 20, iat= 753, 696, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 56 LEU HN 45 ASN HA 5.00 (# 2708:20 Unique 3.79, 3.79 A)
&rst
ixpk= 2708, nxpk= 20, iat= 877, 696, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 20-2:2709 45 ASN HB- 3.00 (# 2709:20 Single Ambig)
&rst
ixpk= 2709, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 650, 696,
igr2= 698, 699,
&end
#
# 0 AMB 20-2:2710 45 ASN HB- 6.00 (# 2710:20 Single Ambig)
&rst
ixpk= 2710, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1= 633, 634, 881, 882, 636,
igr2= 698, 699,
&end
#
# 46 LEU HB+ 46 LEU HA 3.00 (# 2711:20 Unique 2.58, 2.80 A)
&rst
ixpk= 2711, nxpk= 20, iat= -1, 710, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 712, 713,
&end
#
# 49 MET ME 46 LEU HA 4.00 (# 2712:20 Preassigned 2.69, 3.04 A)
&rst
ixpk= 2712, nxpk= 20, iat= -1, 710, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 764, 765, 766,
&end
#
# 46 LEU MDX 46 LEU HG 3.00 (# 2713:20 Unique 2.45, 2.66 A)
&rst
ixpk= 2713, nxpk= 20, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 717, 718, 719, 721, 722, 723,
&end
#
# 0 AMB 20-2:2714 46 LEU MDX 5.00 (# 2714:20 Single Ambig)
&rst
ixpk= 2714, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 657, 658, 727,
igr2= 717, 718, 719, 721, 722, 723,
&end
#
# 0 AMB 20-2:2715 46 LEU MDY 5.00 (# 2715:20 Single Ambig)
&rst
ixpk= 2715, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 657, 658, 727,
igr2= 717, 718, 719, 721, 722, 723,
&end
#
# 46 LEU HA 46 LEU MDY 4.00 (# 2716:20 Unique 2.13, 3.84 A)
&rst
ixpk= 2716, nxpk= 20, iat= 710, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 717, 718, 719, 721, 722, 723,
&end
#
# 0 AMB 20-2:2717 46 LEU MDY 3.00 (# 2717:20 Single Ambig)
&rst
ixpk= 2717, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 712, 713, 715,
igr2= 717, 718, 719, 721, 722, 723,
&end
#
# 48 ALA HN 47 VAL MGX 4.00 (# 2718:20 Preassigned 3.57, 4.50 A)
&rst
ixpk= 2718, nxpk= 20, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 733, 734, 735, 737, 738, 739,
&end
#
# 53 TYR HE 48 ALA HA 6.00 (# 2719:20 Preassigned 4.97, 5.66 A)
&rst
ixpk= 2719, nxpk= 20, iat= -1, 745, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 837, 842,
&end
#
# 51 TYR HE 50 LYS HA 6.00 (# 2721:20 Preassigned 5.79, 6.70 A)
&rst
ixpk= 2721, nxpk= 20, iat= -1, 772, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 802, 807,
&end
#
# 47 VAL HA 50 LYS HG+ 5.00 (# 2722:20 Unique 3.63, 4.34 A)
&rst
ixpk= 2722, nxpk= 20, iat= 729, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 777, 778,
&end
#
# 0 AMB 20-2:2723 0 AMB 20-1:2723 5.00 (# 2723:20 Double Ambig)
&rst
ixpk= 2723, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 770, 792,
igr2= 780, 781, 780, 781,
&end
#
# 51 TYR HD 50 LYS HD+ 5.00 (# 2724:20 Unique 5.12, 7.16 A)
&rst
ixpk= 2724, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 800, 809,
igr2= 780, 781,
&end
#
# 50 LYS HA 0 AMB 20-1:2725 4.00 (# 2725:20 Single Ambig)
&rst
ixpk= 2725, nxpk= 20, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 780, 781, 780, 781,
&end
#
# 0 AMB 20-2:2726 50 LYS HD- 5.00 (# 2726:20 Single Ambig)
&rst
ixpk= 2726, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 770, 792,
igr2= 780, 781,
&end
#
# 51 TYR HE 50 LYS HD- 5.00 (# 2727:20 Unique 3.80, 6.24 A)
&rst
ixpk= 2727, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 802, 807,
igr2= 780, 781,
&end
#
# 47 VAL HA 50 LYS HD- 5.00 (# 2728:20 Unique 2.63, 3.24 A)
&rst
ixpk= 2728, nxpk= 20, iat= 729, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 780, 781,
&end
#
# 50 LYS HG- 50 LYS HD- 3.00 (# 2729:20 Unique 2.43, 2.61 A)
&rst
ixpk= 2729, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 777, 778,
igr2= 780, 781,
&end
#
# 0 AMB 20-2:2730 0 AMB 20-1:2730 6.00 (# 2730:20 Double Ambig)
&rst
ixpk= 2730, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 770, 792,
igr2= 783, 784, 783, 784,
&end
#
# 51 TYR HD 50 LYS HE+ 6.00 (# 2731:20 Unique 5.77, 7.08 A)
&rst
ixpk= 2731, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 800, 809,
igr2= 783, 784,
&end
#
# 52 ASN HN 51 TYR HA 4.00 (# 2732:20 Unique 3.04, 3.04 A)
&rst
ixpk= 2732, nxpk= 20, iat= 813, 794, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:2733 73 ILE HA 3.00 (# 2733:20 Single Ambig)
&rst
ixpk= 2733, nxpk= 20, iat= -1,1124, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1128,1129,1130,1135,1136,1137,
&end
#
# 52 ASN HN 51 TYR HB- 6.00 (# 2734:20 Unique 3.89, 4.17 A)
&rst
ixpk= 2734, nxpk= 20, iat= 813, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 796, 797,
&end
#
# 53 TYR HN 51 TYR HB+ 6.00 (# 2735:20 Preassigned 4.77, 5.34 A)
&rst
ixpk= 2735, nxpk= 20, iat= 827, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 796, 797,
&end
#
# 53 TYR HN 51 TYR HB- 6.00 (# 2736:20 Preassigned 4.77, 5.34 A)
&rst
ixpk= 2736, nxpk= 20, iat= 827, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 796, 797,
&end
#
# 0 AMB 20-2:2737 0 AMB 20-1:2737 6.00 (# 2737:20 Double Ambig)
&rst
ixpk= 2737, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
igr1=1255,1256,1257,1259,1260,1261, 777, 778,
igr2= 796, 797, 796, 797,
&end
#
# 0 AMB 20-2:2738 51 TYR HB- 5.00 (# 2738:20 Single Ambig)
&rst
ixpk= 2738, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 733, 734, 735, 737, 738, 739,1552,1553,1554,1556,
1557,1558,
igr2= 796, 797,
&end
#
# 86 LEU MDX 51 TYR HA 5.00 (# 2739:20 Unique 5.26, 6.72 A)
&rst
ixpk= 2739, nxpk= 20, iat= -1, 794, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1330,1331,1332,1334,1335,1336,
&end
#
# 86 LEU MDY 51 TYR HA 6.00 (# 2740:20 Unique 5.26, 6.72 A)
&rst
ixpk= 2740, nxpk= 20, iat= -1, 794, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1330,1331,1332,1334,1335,1336,
&end
#
# 53 TYR HD 52 ASN HA 6.00 (# 2741:20 Unique 4.39, 5.80 A)
&rst
ixpk= 2741, nxpk= 20, iat= -1, 815, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 835, 844,
&end
#
# 52 ASN HD2+ 52 ASN HA 6.00 (# 2742:20 Unique 4.49, 4.57 A)
&rst
ixpk= 2742, nxpk= 20, iat= -1, 815, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 822, 823,
&end
#
# 53 TYR HB+ 52 ASN HA 6.00 (# 2743:20 Unique 4.73, 5.28 A)
&rst
ixpk= 2743, nxpk= 20, iat= -1, 815, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 831, 832,
&end
#
# 12 THR MG2 52 ASN HA 4.00 (# 2744:20 Unique 3.49, 4.22 A)
&rst
ixpk= 2744, nxpk= 20, iat= -1, 815, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 157, 158, 159,
&end
#
# 53 TYR HD 52 ASN HB+ 6.00 (# 2745:20 Unique 4.68, 6.59 A)
&rst
ixpk= 2745, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 835, 844,
igr2= 817, 818,
&end
#
# 52 ASN HD2- 52 ASN HB- 3.00 (# 2746:20 Unique 2.43, 3.14 A)
&rst
ixpk= 2746, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 822, 823,
igr2= 817, 818,
&end
#
# 53 TYR HA 52 ASN HB+ 6.00 (# 2747:20 Unique 5.06, 5.58 A)
&rst
ixpk= 2747, nxpk= 20, iat= 829, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 817, 818,
&end
#
# 0 AMB 20-2:2751 53 TYR HB- 6.00 (# 2751:20 Single Ambig)
&rst
ixpk= 2751, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 837, 842, 802, 807,
igr2= 831, 832,
&end
#
# 53 TYR HA 53 TYR HB- 5.00 (# 2752:20 Unique 2.56, 2.78 A)
&rst
ixpk= 2752, nxpk= 20, iat= 829, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 831, 832,
&end
#
# 54 GLU HG+ 54 GLU HA 4.00 (# 2754:20 Unique 2.47, 2.86 A)
&rst
ixpk= 2754, nxpk= 20, iat= -1, 850, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 855, 856,
&end
#
# 0 AMB 20-2:2755 101 LEU HA 5.00 (# 2755:20 Single Ambig)
&rst
ixpk= 2755, nxpk= 20, iat= -1,1545, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1566,1567, 323, 324, 325, 327, 328, 329,
&end
#
# 54 GLU HN 54 GLU HB+ 4.00 (# 2756:20 Unique 2.39, 2.99 A)
&rst
ixpk= 2756, nxpk= 20, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 852, 853,
&end
#
# 15 THR HN 54 GLU HB+ 4.00 (# 2758:20 Unique 2.85, 3.73 A)
&rst
ixpk= 2758, nxpk= 20, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 852, 853,
&end
#
# 12 THR MG2 54 GLU HB- 6.00 (# 2760:20 Preassigned 4.54, 5.48 A)
&rst
ixpk= 2760, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 157, 158, 159,
igr2= 852, 853,
&end
#
# 45 ASN HD2+ 55 PRO HA 6.00 (# 2762:20 Unique 3.53, 3.69 A)
&rst
ixpk= 2762, nxpk= 20, iat= -1, 873, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 703, 704,
&end
#
# 45 ASN HB- 55 PRO HA 6.00 (# 2763:20 Unique 3.21, 3.87 A)
&rst
ixpk= 2763, nxpk= 20, iat= -1, 873, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 698, 699,
&end
#
# 0 AMB 20-2:2764 55 PRO HA 5.00 (# 2764:20 Single Ambig)
&rst
ixpk= 2764, nxpk= 20, iat= -1, 873, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 881, 882, 636,
&end
#
# 45 ASN HD2+ 55 PRO HB- 5.00 (# 2765:20 Unique 2.97, 3.27 A)
&rst
ixpk= 2765, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 703, 704,
igr2= 870, 871,
&end
#
# 45 ASN HD2- 55 PRO HB- 6.00 (# 2766:20 Unique 2.97, 3.27 A)
&rst
ixpk= 2766, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 703, 704,
igr2= 870, 871,
&end
#
# 59 ASP HN 58 GLN HB- 5.00 (# 2767:20 Unique 2.84, 3.47 A)
&rst
ixpk= 2767, nxpk= 20, iat= 927, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 914, 915,
&end
#
# 54 GLU HN 55 PRO HD- 6.00 (# 2769:20 Unique 4.87, 5.00 A)
&rst
ixpk= 2769, nxpk= 20, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 864, 865,
&end
#
# 54 GLU HN 55 PRO HD+ 6.00 (# 2770:20 Unique 4.87, 5.00 A)
&rst
ixpk= 2770, nxpk= 20, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 864, 865,
&end
#
# 49 MET HG- 55 PRO HD+ 5.00 (# 2772:20 Unique 3.16, 4.46 A)
&rst
ixpk= 2772, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 760, 761,
igr2= 864, 865,
&end
#
# 60 HIS HB- 56 LEU HA 5.00 (# 2773:20 Unique 3.47, 3.64 A)
&rst
ixpk= 2773, nxpk= 20, iat= -1, 879, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 943, 944,
&end
#
# 0 AMB 20-2:2774 56 LEU HA 6.00 (# 2774:20 Single Ambig)
&rst
ixpk= 2774, nxpk= 20, iat= -1, 879, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 204, 205, 206, 216, 217,
&end
#
# 0 AMB 20-2:2775 56 LEU HA 6.00 (# 2775:20 Single Ambig)
&rst
ixpk= 2775, nxpk= 20, iat= -1, 879, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr1= 852, 853, 867, 868, 989, 914, 915,
&end
#
# 45 ASN HD2- 56 LEU HB- 6.00 (# 2776:20 Unique 3.32, 4.53 A)
&rst
ixpk= 2776, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 703, 704,
igr2= 881, 882,
&end
#
# 0 AMB 20-2:2777 0 AMB 20-1:2777 6.00 (# 2777:20 Double Ambig)
&rst
ixpk= 2777, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 678, 679, 943, 944,
igr2= 881, 882, 881, 882,
&end
#
# 60 HIS HB- 56 LEU HB- 6.00 (# 2778:20 Unique 4.81, 5.08 A)
&rst
ixpk= 2778, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 943, 944,
igr2= 881, 882,
&end
#
# 56 LEU HN 56 LEU HG 5.00 (# 2779:20 Unique 4.48, 4.48 A)
&rst
ixpk= 2779, nxpk= 20, iat= 877, 884, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 60 HIS HN 56 LEU HG 6.00 (# 2781:20 Unique 4.36, 4.36 A)
&rst
ixpk= 2781, nxpk= 20, iat= 939, 884, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:2782 56 LEU HG 5.00 (# 2782:20 Single Ambig)
&rst
ixpk= 2782, nxpk= 20, iat= -1, 884, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 941, 873, 929,
&end
#
# 0 AMB 20-2:2783 56 LEU HG 5.00 (# 2783:20 Single Ambig)
&rst
ixpk= 2783, nxpk= 20, iat= -1, 884, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 204, 205, 206, 216, 217,
&end
#
# 61 VAL MGX 56 LEU HG 5.00 (# 2784:20 Preassigned 3.21, 5.54 A)
&rst
ixpk= 2784, nxpk= 20, iat= -1, 884, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 963, 964, 965, 967, 968, 969,
&end
#
# 16 LEU HN 56 LEU MDX 5.00 (# 2785:20 Unique 3.72, 5.38 A)
&rst
ixpk= 2785, nxpk= 20, iat= 212, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 44 PHE HZ 56 LEU MDX 5.00 (# 2786:20 Unique 4.47, 5.66 A)
&rst
ixpk= 2786, nxpk= 20, iat= 686, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 61 VAL HN 56 LEU MDX 6.00 (# 2787:20 Unique 4.41, 5.20 A)
&rst
ixpk= 2787, nxpk= 20, iat= 957, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 0 AMB 20-2:2788 56 LEU MDX 6.00 (# 2788:20 Single Ambig)
&rst
ixpk= 2788, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 941, 873, 850,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 106 THR HN 106 THR HA 5.00 (# 2789:20 Unique 2.90, 2.90 A)
&rst
ixpk= 2789, nxpk= 20, iat=1624,1626, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 20-2:2791 57 THR HB 6.00 (# 2791:20 Single Ambig)
&rst
ixpk= 2791, nxpk= 20, iat= -1, 900, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 917, 918, 961,
&end
#
# 58 GLN HB- 58 GLN HA 3.00 (# 2793:20 Unique 2.43, 2.73 A)
&rst
ixpk= 2793, nxpk= 20, iat= -1, 912, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 914, 915,
&end
#
# 58 GLN HE2+ 58 GLN HB+ 5.00 (# 2794:20 Unique 3.99, 4.44 A)
&rst
ixpk= 2794, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 922, 923,
igr2= 914, 915,
&end
#
# 58 GLN HE2+ 58 GLN HB- 5.00 (# 2795:20 Unique 3.99, 4.44 A)
&rst
ixpk= 2795, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 922, 923,
igr2= 914, 915,
&end
#
# 58 GLN HN 58 GLN HG+ 6.00 (# 2796:20 Unique 4.46, 4.51 A)
&rst
ixpk= 2796, nxpk= 20, iat= 910, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 917, 918,
&end
#
# 60 HIS HN 60 HIS HA 4.00 (# 2797:20 Unique 2.86, 2.86 A)
&rst
ixpk= 2797, nxpk= 20, iat= 939, 941, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 56 LEU HA 60 HIS HB+ 6.00 (# 2798:20 Unique 3.47, 3.64 A)
&rst
ixpk= 2798, nxpk= 20, iat= 879, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 943, 944,
&end
#
# 65 GLY HN 61 VAL HA 6.00 (# 2799:20 Unique 4.99, 4.99 A)
&rst
ixpk= 2799, nxpk= 20, iat=1023, 959, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 60 HIS HN 61 VAL HB 6.00 (# 2800:20 Unique 4.51, 4.51 A)
&rst
ixpk= 2800, nxpk= 20, iat= 939, 961, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 61 VAL HN 61 VAL MGX 4.00 (# 2801:20 Unique 2.33, 3.83 A)
&rst
ixpk= 2801, nxpk= 20, iat= 957, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 963, 964, 965, 967, 968, 969,
&end
#
# 62 ASP HN 61 VAL MGX 5.00 (# 2802:20 Unique 3.08, 4.38 A)
&rst
ixpk= 2802, nxpk= 20, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 963, 964, 965, 967, 968, 969,
&end
#
# 0 AMB 20-2:2803 61 VAL MGY 5.00 (# 2803:20 Single Ambig)
&rst
ixpk= 2803, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1151, 910,1167,
igr2= 963, 964, 965, 967, 968, 969,
&end
#
# 0 AMB 20-2:2804 61 VAL MGY 4.00 (# 2804:20 Single Ambig)
&rst
ixpk= 2804, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 912,1025,1026,
igr2= 963, 964, 965, 967, 968, 969,
&end
#
# 63 ILE HN 62 ASP HA 4.00 (# 2805:20 Unique 3.61, 3.61 A)
&rst
ixpk= 2805, nxpk= 20, iat= 985, 975, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:2806 0 AMB 20-1:2806 3.00 (# 2806:20 Double Ambig)
&rst
ixpk= 2806, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 662,1023,
igr2= 664, 975,
&end
#
# 0 AMB 20-2:2807 0 AMB 20-1:2807 4.00 (# 2807:20 Double Ambig)
&rst
ixpk= 2807, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
igr1= 963, 964, 965, 967, 968, 969, 963, 964, 965, 967,
968, 969,
igr2= 977, 978, 977, 978,
&end
#
# 65 GLY HN 63 ILE HB 6.00 (# 2808:20 Unique 4.94, 4.94 A)
&rst
ixpk= 2808, nxpk= 20, iat=1023, 989, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 63 ILE HG1- 63 ILE HB 3.00 (# 2809:20 Unique 2.61, 2.82 A)
&rst
ixpk= 2809, nxpk= 20, iat= -1, 989, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 995, 996,
&end
#
# 63 ILE HA 63 ILE QD1 4.00 (# 2811:20 Preassigned 4.66, 4.77 A)
&rst
ixpk= 2811, nxpk= 20, iat= 987, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 998, 999,1000,
&end
#
# 60 HIS HA 63 ILE QD1 3.00 (# 2812:20 Unique 2.10, 3.19 A)
&rst
ixpk= 2812, nxpk= 20, iat= 941, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 998, 999,1000,
&end
#
# 63 ILE HG1- 63 ILE QD1 3.00 (# 2813:20 Unique 2.48, 2.67 A)
&rst
ixpk= 2813, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 995, 996,
igr2= 998, 999,1000,
&end
#
# 63 ILE HB 63 ILE QD1 3.00 (# 2814:20 Unique 2.42, 2.97 A)
&rst
ixpk= 2814, nxpk= 20, iat= 989, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 998, 999,1000,
&end
#
# 63 ILE HG1+ 63 ILE QD1 3.00 (# 2815:20 Unique 2.48, 2.67 A)
&rst
ixpk= 2815, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 995, 996,
igr2= 998, 999,1000,
&end
#
# 64 LEU HB- 64 LEU HA 3.00 (# 2816:20 Unique 2.53, 2.77 A)
&rst
ixpk= 2816, nxpk= 20, iat= -1,1006, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1008,1009,
&end
#
# 61 VAL HA 64 LEU HB+ 6.00 (# 2817:20 Unique 3.15, 3.98 A)
&rst
ixpk= 2817, nxpk= 20, iat= 959, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1008,1009,
&end
#
# 23 TYR HE 64 LEU MDX 5.00 (# 2818:20 Unique 2.26, 5.33 A)
&rst
ixpk= 2818, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 343, 348,
igr2=1013,1014,1015,1017,1018,1019,
&end
#
# 0 AMB 20-2:2819 64 LEU MDX 5.00 (# 2819:20 Single Ambig)
&rst
ixpk= 2819, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 261,1074,
igr2=1013,1014,1015,1017,1018,1019,
&end
#
# 64 LEU HG 64 LEU MDY 3.00 (# 2820:20 Preassigned 2.42, 2.65 A)
&rst
ixpk= 2820, nxpk= 20, iat=1011, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1013,1014,1015,1017,1018,1019,
&end
#
# 64 LEU HN 65 GLY HA+ 5.00 (# 2821:20 Unique 4.93, 4.96 A)
&rst
ixpk= 2821, nxpk= 20, iat=1004, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1025,1026,
&end
#
# 69 ALA HN 65 GLY HA- 6.00 (# 2822:20 Unique 3.92, 4.40 A)
&rst
ixpk= 2822, nxpk= 20, iat=1074, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1025,1026,
&end
#
# 0 AMB 20-2:2823 0 AMB 20-1:2823 5.00 (# 2823:20 Double Ambig)
&rst
ixpk= 2823, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.55, r4=14.05,
igr1=1157,1158,1159,1161,1162,1163, 963, 964, 965, 967,
968, 969,1013,1014,1015,1017,1018,1019, 991, 992,
993,1706,1707,1708,1710,1711,1712,1706,1707,1708,
1710,1711,1712,
igr2=1025,1026,1025,1026,1025,1026,1025,1026,1025,1026,
1025,1026,
&end
#
# 0 AMB 20-2:2824 65 GLY HA- 5.00 (# 2824:20 Single Ambig)
&rst
ixpk= 2824, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.05, r4=10.55,
igr1=1157,1158,1159,1161,1162,1163, 963, 964, 965, 967,
968, 969,1013,1014,1015,1017,1018,1019, 991, 992,
993,1706,1707,1708,1710,1711,1712,1706,1707,1708,
1710,1711,1712,
igr2=1025,1026,
&end
#
# 75 VAL MGY 65 GLY HA+ 6.00 (# 2825:20 Unique 4.39, 6.82 A)
&rst
ixpk= 2825, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1157,1158,1159,1161,1162,1163,
igr2=1025,1026,
&end
#
# 0 AMB 20-2:2826 0 AMB 20-1:2826 6.00 (# 2826:20 Double Ambig)
&rst
ixpk= 2826, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1078,1079,1080,1051,
igr2=1025,1026,1025,1026,
&end
#
# 0 AMB 20-2:2827 65 GLY HA- 6.00 (# 2827:20 Single Ambig)
&rst
ixpk= 2827, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1078,1079,1080,1051,
igr2=1025,1026,
&end
#
# 0 AMB 20-2:2828 0 AMB 20-1:2828 6.00 (# 2828:20 Double Ambig)
&rst
ixpk= 2828, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
igr1=1008,1009,1034,1035,1155,
igr2=1025,1026,1025,1026,1025,1026,
&end
#
# 67 LEU HN 66 PRO HA 5.00 (# 2829:20 Unique 3.61, 3.61 A)
&rst
ixpk= 2829, nxpk= 20, iat=1044,1040, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 66 PRO HG- 66 PRO HB- 3.00 (# 2830:20 Unique 2.37, 2.64 A)
&rst
ixpk= 2830, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1034,1035,
igr2=1037,1038,
&end
#
# 70 GLN HB- 67 LEU HA 4.00 (# 2833:20 Unique 2.82, 3.64 A)
&rst
ixpk= 2833, nxpk= 20, iat= -1,1046, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1088,1089,
&end
#
# 111 VAL MGY 67 LEU HA 6.00 (# 2834:20 Preassigned 4.05, 5.86 A)
&rst
ixpk= 2834, nxpk= 20, iat= -1,1046, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1706,1707,1708,1710,1711,1712,
&end
#
# 67 LEU HB+ 67 LEU HA 3.00 (# 2835:20 Unique 2.50, 2.76 A)
&rst
ixpk= 2835, nxpk= 20, iat= -1,1046, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1048,1049,
&end
#
# 68 SER HN 67 LEU HB- 5.00 (# 2836:20 Unique 2.32, 2.86 A)
&rst
ixpk= 2836, nxpk= 20, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1048,1049,
&end
#
# 23 TYR HD 67 LEU HB- 5.00 (# 2837:20 Unique 3.61, 4.10 A)
&rst
ixpk= 2837, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 341, 350,
igr2=1048,1049,
&end
#
# 23 TYR HD 67 LEU HB+ 5.00 (# 2838:20 Unique 3.61, 4.10 A)
&rst
ixpk= 2838, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 341, 350,
igr2=1048,1049,
&end
#
# 23 TYR HB- 67 LEU HB+ 5.00 (# 2839:20 Unique 2.41, 3.41 A)
&rst
ixpk= 2839, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 337, 338,
igr2=1048,1049,
&end
#
# 23 TYR HB- 67 LEU HB- 6.00 (# 2840:20 Unique 2.41, 3.41 A)
&rst
ixpk= 2840, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 337, 338,
igr2=1048,1049,
&end
#
# 23 TYR HB+ 67 LEU HB- 5.00 (# 2841:20 Unique 2.41, 3.41 A)
&rst
ixpk= 2841, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 337, 338,
igr2=1048,1049,
&end
#
# 23 TYR HB+ 67 LEU HB+ 6.00 (# 2842:20 Unique 2.41, 3.41 A)
&rst
ixpk= 2842, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 337, 338,
igr2=1048,1049,
&end
#
# 0 AMB 20-2:2843 67 LEU HB- 6.00 (# 2843:20 Single Ambig)
&rst
ixpk= 2843, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1008,1009,1088,1089,
igr2=1048,1049,
&end
#
# 68 SER HN 67 LEU MDX 5.00 (# 2845:20 Unique 4.65, 5.51 A)
&rst
ixpk= 2845, nxpk= 20, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1053,1054,1055,1057,1058,1059,
&end
#
# 20 ALA HA 67 LEU MDX 3.00 (# 2846:20 Preassigned 2.69, 4.39 A)
&rst
ixpk= 2846, nxpk= 20, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1053,1054,1055,1057,1058,1059,
&end
#
# 69 ALA HN 68 SER HA 5.00 (# 2847:20 Unique 3.56, 3.56 A)
&rst
ixpk= 2847, nxpk= 20, iat=1074,1065, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 112 ARG HG+ 112 ARG HA 4.00 (# 2850:20 Unique 2.32, 2.60 A)
&rst
ixpk= 2850, nxpk= 20, iat= -1,1718, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1723,1724,
&end
#
# 0 AMB 20-2:2851 70 GLN HB- 4.00 (# 2851:20 Single Ambig)
&rst
ixpk= 2851, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 400, 401,1053,1054,1055,1057,1058,1059,
igr2=1088,1089,
&end
#
# 70 GLN HE2- 70 GLN HG+ 4.00 (# 2852:20 Unique 2.47, 3.46 A)
&rst
ixpk= 2852, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1096,1097,
igr2=1091,1092,
&end
#
# 71 THR HN 71 THR HB 5.00 (# 2853:20 Unique 3.58, 3.58 A)
&rst
ixpk= 2853, nxpk= 20, iat=1101,1105, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 73 ILE HN 71 THR HB 6.00 (# 2854:20 Unique 3.55, 3.55 A)
&rst
ixpk= 2854, nxpk= 20, iat=1122,1105, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 23 TYR HD 71 THR HB 5.00 (# 2855:20 Unique 3.32, 5.46 A)
&rst
ixpk= 2855, nxpk= 20, iat= -1,1105, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 341, 350,
&end
#
# 28 ASN HN 71 THR MG2 6.00 (# 2857:20 Preassigned 6.25, 6.66 A)
&rst
ixpk= 2857, nxpk= 20, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1107,1108,1109,
&end
#
# 0 AMB 20-2:2858 0 AMB 20-1:2858 6.00 (# 2858:20 Double Ambig)
&rst
ixpk= 2858, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1=1078,1079,1080,1107,1108,1109, 514, 515,
igr2=1117,1118,1117,1118,1117,1118,
&end
#
# 73 ILE QD1 72 GLY HA+ 6.00 (# 2859:20 Unique 5.07, 6.23 A)
&rst
ixpk= 2859, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1135,1136,1137,
igr2=1117,1118,
&end
#
# 73 ILE QD1 72 GLY HA- 6.00 (# 2860:20 Unique 5.07, 6.23 A)
&rst
ixpk= 2860, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1135,1136,1137,
igr2=1117,1118,
&end
#
# 117 VAL HN 115 SER HA 6.00 (# 2862:20 Unique 4.46, 4.46 A)
&rst
ixpk= 2862, nxpk= 20, iat=1786,1770, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 73 ILE HN 73 ILE HG1- 5.00 (# 2863:20 Unique 3.29, 3.89 A)
&rst
ixpk= 2863, nxpk= 20, iat=1122, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1132,1133,
&end
#
# 73 ILE HA 73 ILE HG1- 5.00 (# 2864:20 Unique 2.41, 2.61 A)
&rst
ixpk= 2864, nxpk= 20, iat=1124, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1132,1133,
&end
#
# 0 AMB 20-2:2865 0 AMB 20-1:2865 3.00 (# 2865:20 Double Ambig)
&rst
ixpk= 2865, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 519, 520, 521, 523, 524, 525, 171, 172, 173,
igr2=1135,1136,1137, 251, 252, 253, 255, 256, 257,
&end
#
# 0 AMB 20-2:2866 74 ALA MB 5.00 (# 2866:20 Single Ambig)
&rst
ixpk= 2866, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1067,1068,1025,1026,
igr2=1145,1146,1147,
&end
#
# 77 ASP HB- 74 ALA MB 5.00 (# 2867:20 Unique 3.13, 4.28 A)
&rst
ixpk= 2867, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1190,1191,
igr2=1145,1146,1147,
&end
#
# 77 ASP HB+ 74 ALA MB 4.00 (# 2868:20 Unique 3.13, 4.28 A)
&rst
ixpk= 2868, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1190,1191,
igr2=1145,1146,1147,
&end
#
# 0 AMB 20-2:2869 0 AMB 20-1:2869 4.00 (# 2869:20 Double Ambig)
&rst
ixpk= 2869, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1=1700, 973,
igr2=1706,1707,1708,1710,1711,1712, 963, 964, 965, 967,
968, 969,
&end
#
# 86 LEU MDY 82 LEU MDY 6.00 (# 2870:20 Unique 2.72, 5.16 A)
&rst
ixpk= 2870, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1=1330,1331,1332,1334,1335,1336,
igr2=1255,1256,1257,1259,1260,1261,
&end
#
# 74 ALA MB 76 LEU MDX 5.00 (# 2871:20 Unique 3.46, 6.41 A)
&rst
ixpk= 2871, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1145,1146,1147,
igr2=1176,1177,1178,1180,1181,1182,
&end
#
# 79 CYS HB+ 76 LEU MDX 5.00 (# 2872:20 Unique 3.97, 5.95 A)
&rst
ixpk= 2872, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1219,1220,
igr2=1176,1177,1178,1180,1181,1182,
&end
#
# 0 AMB 20-2:2873 76 LEU MDY 5.00 (# 2873:20 Single Ambig)
&rst
ixpk= 2873, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1226, 922, 923,
igr2=1176,1177,1178,1180,1181,1182,
&end
#
# 79 CYS HB- 76 LEU MDY 4.00 (# 2875:20 Unique 3.97, 5.95 A)
&rst
ixpk= 2875, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1219,1220,
igr2=1176,1177,1178,1180,1181,1182,
&end
#
# 78 MET HN 77 ASP HA 5.00 (# 2876:20 Unique 3.64, 3.64 A)
&rst
ixpk= 2876, nxpk= 20, iat=1198,1188, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 77 ASP HB+ 77 ASP HA 4.00 (# 2877:20 Unique 2.56, 2.77 A)
&rst
ixpk= 2877, nxpk= 20, iat= -1,1188, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1190,1191,
&end
#
# 0 AMB 20-2:2878 77 ASP HA 5.00 (# 2878:20 Single Ambig)
&rst
ixpk= 2878, nxpk= 20, iat= -1,1188, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1128,1129,1130, 638, 639, 640, 642, 643, 644,1135,
1136,1137,
&end
#
# 73 ILE QG2 77 ASP HB+ 3.00 (# 2879:20 Unique 2.33, 3.96 A)
&rst
ixpk= 2879, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1128,1129,1130,
igr2=1190,1191,
&end
#
# 78 MET HN 77 ASP HB+ 4.00 (# 2880:20 Unique 2.41, 3.16 A)
&rst
ixpk= 2880, nxpk= 20, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1190,1191,
&end
#
# 78 MET HN 78 MET HB+ 4.00 (# 2881:20 Unique 2.41, 2.53 A)
&rst
ixpk= 2881, nxpk= 20, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1202,1203,
&end
#
# 0 AMB 20-2:2882 78 MET HB- 4.00 (# 2882:20 Single Ambig)
&rst
ixpk= 2882, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 270, 271, 272, 274, 275, 276, 270, 271, 272, 274,
275, 276,
igr2=1202,1203,
&end
#
# 78 MET ME 78 MET HB+ 4.00 (# 2883:20 Unique 2.49, 4.03 A)
&rst
ixpk= 2883, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1209,1210,1211,
igr2=1202,1203,
&end
#
# 23 TYR HH 78 MET HG- 6.00 (# 2886:20 Unique 3.92, 4.45 A)
&rst
ixpk= 2886, nxpk= 20, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1205,1206,
&end
#
# 23 TYR HE 78 MET HG- 6.00 (# 2887:20 Unique 2.82, 4.42 A)
&rst
ixpk= 2887, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 343, 348,
igr2=1205,1206,
&end
#
# 78 MET HN 79 CYS HA 6.00 (# 2888:20 Unique 5.44, 5.44 A)
&rst
ixpk= 2888, nxpk= 20, iat=1198,1217, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 78 MET HA 79 CYS HA 6.00 (# 2890:20 Unique 4.86, 4.86 A)
&rst
ixpk= 2890, nxpk= 20, iat=1200,1217, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:2892 79 CYS HA 5.00 (# 2892:20 Single Ambig)
&rst
ixpk= 2892, nxpk= 20, iat= -1,1217, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1228,1248,
&end
#
# 76 LEU HB+ 79 CYS HB- 4.00 (# 2893:20 Preassigned 4.57, 5.71 A)
&rst
ixpk= 2893, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1171,1172,
igr2=1219,1220,
&end
#
# 83 LYS HB- 80 ALA HA 4.00 (# 2894:20 Unique 2.30, 2.63 A)
&rst
ixpk= 2894, nxpk= 20, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1269,1270,
&end
#
# 0 AMB 20-2:2895 81 ALA HA 4.00 (# 2895:20 Single Ambig)
&rst
ixpk= 2895, nxpk= 20, iat= -1,1238, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1291,1292,1269,1270,
&end
#
# 19 LEU MDY 82 LEU HA 5.00 (# 2897:20 Preassigned 4.84, 6.87 A)
&rst
ixpk= 2897, nxpk= 20, iat= -1,1248, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 270, 271, 272, 274, 275, 276,
&end
#
# 83 LYS HN 82 LEU HB- 5.00 (# 2898:20 Unique 2.64, 3.22 A)
&rst
ixpk= 2898, nxpk= 20, iat=1265, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1250,1251,
&end
#
# 79 CYS HA 82 LEU HB- 4.00 (# 2899:20 Unique 2.88, 3.31 A)
&rst
ixpk= 2899, nxpk= 20, iat=1217, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1250,1251,
&end
#
# 82 LEU HG 82 LEU HB- 3.00 (# 2900:20 Unique 2.44, 2.44 A)
&rst
ixpk= 2900, nxpk= 20, iat=1253, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1250,1251,
&end
#
# 0 AMB 20-2:2901 0 AMB 20-1:2901 5.00 (# 2901:20 Double Ambig)
&rst
ixpk= 2901, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 261,1409,
igr2=1253,1423,1424,
&end
#
# 0 AMB 20-2:2902 82 LEU MDX 4.00 (# 2902:20 Single Ambig)
&rst
ixpk= 2902, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1321,1246,
igr2=1255,1256,1257,1259,1260,1261,
&end
#
# 0 AMB 20-2:2903 26 VAL MGY 4.00 (# 2903:20 Single Ambig)
&rst
ixpk= 2903, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66,
igr1= 519, 520, 521, 523, 524, 525, 323, 324, 325, 327,
328, 329,
igr2= 380, 381, 382, 384, 385, 386,
&end
#
# 0 AMB 20-2:2904 0 AMB 20-1:2904 5.00 (# 2904:20 Double Ambig)
&rst
ixpk= 2904, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.45, r4=11.95,
igr1= 323, 324, 325, 327, 328, 329, 886, 887, 888, 890,
891, 892,
igr2=1255,1256,1257,1259,1260,1261, 221, 222, 223, 225,
226, 227,
&end
#
# 0 AMB 20-2:2905 83 LYS HA 6.00 (# 2905:20 Single Ambig)
&rst
ixpk= 2905, nxpk= 20, iat= -1,1267, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1302,1226,
&end
#
# 87 GLN HN 83 LYS HA 6.00 (# 2906:20 Unique 3.98, 3.98 A)
&rst
ixpk= 2906, nxpk= 20, iat=1340,1267, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 51 TYR HE 83 LYS HA 6.00 (# 2907:20 Preassigned 5.97, 7.03 A)
&rst
ixpk= 2907, nxpk= 20, iat= -1,1267, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 802, 807,
&end
#
# 0 AMB 20-2:2908 83 LYS HB- 5.00 (# 2908:20 Single Ambig)
&rst
ixpk= 2908, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1255,1256,1257,1259,1260,1261,1157,1158,1159,1161,
1162,1163,
igr2=1269,1270,
&end
#
# 83 LYS HA 83 LYS HG+ 5.00 (# 2909:20 Unique 2.64, 2.92 A)
&rst
ixpk= 2909, nxpk= 20, iat=1267, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1272,1273,
&end
#
# 83 LYS HA 83 LYS HG- 4.00 (# 2910:20 Unique 2.64, 2.92 A)
&rst
ixpk= 2910, nxpk= 20, iat=1267, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1272,1273,
&end
#
# 44 PHE HA 83 LYS HG+ 5.00 (# 2911:20 Unique 4.22, 4.92 A)
&rst
ixpk= 2911, nxpk= 20, iat= 676, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1272,1273,
&end
#
# 44 PHE HA 83 LYS HG- 5.00 (# 2912:20 Unique 4.22, 4.92 A)
&rst
ixpk= 2912, nxpk= 20, iat= 676, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1272,1273,
&end
#
# 83 LYS HN 0 AMB 20-1:2913 5.00 (# 2913:20 Single Ambig)
&rst
ixpk= 2913, nxpk= 20, iat=1265, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2=1272,1273,1272,1273,
&end
#
# 83 LYS HB+ 83 LYS HG+ 5.00 (# 2914:20 Unique 2.48, 2.77 A)
&rst
ixpk= 2914, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1269,1270,
igr2=1272,1273,
&end
#
# 83 LYS HB- 83 LYS HG+ 4.00 (# 2915:20 Unique 2.48, 2.77 A)
&rst
ixpk= 2915, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1269,1270,
igr2=1272,1273,
&end
#
# 0 AMB 20-2:2916 0 AMB 20-1:2916 4.00 (# 2916:20 Double Ambig)
&rst
ixpk= 2916, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1267, 729,
igr2=1275,1276,1275,1276,
&end
#
# 83 LYS HN 83 LYS HE+ 6.00 (# 2917:20 Unique 6.53, 6.59 A)
&rst
ixpk= 2917, nxpk= 20, iat=1265, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1278,1279,
&end
#
# 0 AMB 20-2:2918 0 AMB 20-1:2918 5.00 (# 2918:20 Double Ambig)
&rst
ixpk= 2918, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 603,1359,
igr2=1278,1279,1278,1279,
&end
#
# 96 LEU MDX 30 ASP HB- 6.00 (# 2919:20 Unique 3.70, 5.47 A)
&rst
ixpk= 2919, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1482,1483,1484,1486,1487,1488,
igr2= 434, 435,
&end
#
# 0 AMB 20-2:2920 30 ASP HB- 5.00 (# 2920:20 Single Ambig)
&rst
ixpk= 2920, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr1= 380, 381, 382, 384, 385, 386,1423,1424,
igr2= 434, 435,
&end
#
# 87 GLN HN 84 GLU HA 4.00 (# 2921:20 Unique 3.28, 3.28 A)
&rst
ixpk= 2921, nxpk= 20, iat=1340,1289, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 84 GLU HB- 84 GLU HA 3.00 (# 2923:20 Unique 2.50, 2.77 A)
&rst
ixpk= 2923, nxpk= 20, iat= -1,1289, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1291,1292,
&end
#
# 84 GLU HA 84 GLU HB+ 3.00 (# 2924:20 Unique 2.50, 2.77 A)
&rst
ixpk= 2924, nxpk= 20, iat=1289, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1291,1292,
&end
#
# 84 GLU HB- 84 GLU HG- 3.00 (# 2925:20 Unique 2.43, 2.61 A)
&rst
ixpk= 2925, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1291,1292,
igr2=1294,1295,
&end
#
# 0 AMB 20-2:2926 85 LEU HA 3.00 (# 2926:20 Single Ambig)
&rst
ixpk= 2926, nxpk= 20, iat= -1,1304, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1371,1302,
&end
#
# 85 LEU MDX 85 LEU HA 4.00 (# 2927:20 Unique 2.05, 3.32 A)
&rst
ixpk= 2927, nxpk= 20, iat= -1,1304, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1311,1312,1313,1315,1316,1317,
&end
#
# 85 LEU HB+ 85 LEU HA 3.00 (# 2928:20 Unique 2.64, 2.79 A)
&rst
ixpk= 2928, nxpk= 20, iat= -1,1304, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1306,1307,
&end
#
# 0 AMB 20-2:2929 85 LEU HB- 3.00 (# 2929:20 Single Ambig)
&rst
ixpk= 2929, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1552,1553,1554,1556,1557,1558,1311,1312,1313,1315,
1316,1317,
igr2=1306,1307,
&end
#
# 0 AMB 20-2:2931 85 LEU HG 4.00 (# 2931:20 Single Ambig)
&rst
ixpk= 2931, nxpk= 20, iat= -1,1309, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=1240,1241,1242,1477,1478,
&end
#
# 32 TRP HH2 85 LEU HG 6.00 (# 2932:20 Preassigned 6.48, 6.48 A)
&rst
ixpk= 2932, nxpk= 20, iat= 481,1309, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 85 LEU HA 85 LEU MDX 4.00 (# 2933:20 Unique 2.05, 3.32 A)
&rst
ixpk= 2933, nxpk= 20, iat=1304, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1311,1312,1313,1315,1316,1317,
&end
#
# 0 AMB 20-2:2934 85 LEU MDY 5.00 (# 2934:20 Single Ambig)
&rst
ixpk= 2934, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1321,1357,
igr2=1311,1312,1313,1315,1316,1317,
&end
#
# 32 TRP HZ3 85 LEU MDY 3.00 (# 2935:20 Unique 5.95, 6.85 A)
&rst
ixpk= 2935, nxpk= 20, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1311,1312,1313,1315,1316,1317,
&end
#
# 51 TYR HE 86 LEU HA 6.00 (# 2937:20 Preassigned 4.68, 5.21 A)
&rst
ixpk= 2937, nxpk= 20, iat= -1,1323, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 802, 807,
&end
#
# 51 TYR HD 86 LEU HB+ 5.00 (# 2938:20 Unique 3.67, 4.79 A)
&rst
ixpk= 2938, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 800, 809,
igr2=1325,1326,
&end
#
# 51 TYR HE 86 LEU HB+ 6.00 (# 2939:20 Preassigned 3.33, 4.26 A)
&rst
ixpk= 2939, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 802, 807,
igr2=1325,1326,
&end
#
# 51 TYR HD 86 LEU HB- 5.00 (# 2941:20 Unique 3.67, 4.79 A)
&rst
ixpk= 2941, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 800, 809,
igr2=1325,1326,
&end
#
# 0 AMB 20-2:2942 86 LEU HB- 5.00 (# 2942:20 Single Ambig)
&rst
ixpk= 2942, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr1=1344,1345,1269,1270,1306,1307,1250,1251,
igr2=1325,1326,
&end
#
# 0 AMB 20-2:2943 0 AMB 20-1:2943 4.00 (# 2943:20 Double Ambig)
&rst
ixpk= 2943, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1=1344,1345,1306,1307,1250,1251,
igr2=1325,1326,1325,1326,1325,1326,
&end
#
# 0 AMB 20-2:2944 86 LEU MDY 6.00 (# 2944:20 Single Ambig)
&rst
ixpk= 2944, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 831, 832, 783, 784,1361,1362,
igr2=1330,1331,1332,1334,1335,1336,
&end
#
# 0 AMB 20-2:2945 86 LEU MDY 6.00 (# 2945:20 Single Ambig)
&rst
ixpk= 2945, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 831, 832, 678, 679,
igr2=1330,1331,1332,1334,1335,1336,
&end
#
# 0 AMB 20-2:2946 86 LEU MDY 6.00 (# 2946:20 Single Ambig)
&rst
ixpk= 2946, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
igr1=1248,1373,1374, 772, 263,
igr2=1330,1331,1332,1334,1335,1336,
&end
#
# 0 AMB 20-2:2947 86 LEU MDY 6.00 (# 2947:20 Single Ambig)
&rst
ixpk= 2947, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 794, 696,
igr2=1330,1331,1332,1334,1335,1336,
&end
#
# 0 AMB 20-2:2948 86 LEU MDY 6.00 (# 2948:20 Single Ambig)
&rst
ixpk= 2948, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1302,1226,
igr2=1330,1331,1332,1334,1335,1336,
&end
#
# 83 LYS HN 86 LEU MDY 6.00 (# 2949:20 Unique 4.69, 6.27 A)
&rst
ixpk= 2949, nxpk= 20, iat=1265, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1330,1331,1332,1334,1335,1336,
&end
#
# 0 AMB 20-2:2950 86 LEU HB- 6.00 (# 2950:20 Single Ambig)
&rst
ixpk= 2950, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1342,1289,
igr2=1325,1326,
&end
#
# 87 GLN HG+ 86 LEU HB- 6.00 (# 2951:20 Unique 2.98, 3.91 A)
&rst
ixpk= 2951, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1347,1348,
igr2=1325,1326,
&end
#
# 0 AMB 20-2:2952 0 AMB 20-1:2952 6.00 (# 2952:20 Double Ambig)
&rst
ixpk= 2952, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 796, 797,1294,1295,
igr2=1325,1326,1325,1326,
&end
#
# 34 LEU HA 34 LEU HB- 4.00 (# 2953:20 Unique 2.41, 2.74 A)
&rst
ixpk= 2953, nxpk= 20, iat= 512, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 514, 515,
&end
#
# 0 AMB 20-2:2954 86 LEU MDY 6.00 (# 2954:20 Single Ambig)
&rst
ixpk= 2954, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 686, 813,
igr2=1330,1331,1332,1334,1335,1336,
&end
#
# 86 LEU HB+ 87 GLN HG+ 6.00 (# 2957:20 Unique 2.98, 3.91 A)
&rst
ixpk= 2957, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1325,1326,
igr2=1347,1348,
&end
#
# 87 GLN HE2- 87 GLN HG- 6.00 (# 2958:20 Unique 2.55, 3.50 A)
&rst
ixpk= 2958, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1352,1353,
igr2=1347,1348,
&end
#
# 0 AMB 20-2:2959 88 ASN HA 4.00 (# 2959:20 Single Ambig)
&rst
ixpk= 2959, nxpk= 20, iat= -1,1359, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1371,1366,1367,
&end
#
# 88 ASN HB+ 88 ASN HA 3.00 (# 2960:20 Unique 2.25, 2.51 A)
&rst
ixpk= 2960, nxpk= 20, iat= -1,1359, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1361,1362,
&end
#
# 88 ASN HN 89 GLY HA+ 5.00 (# 2963:20 Unique 4.08, 4.29 A)
&rst
ixpk= 2963, nxpk= 20, iat=1357, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1373,1374,
&end
#
# 88 ASN HN 89 GLY HA- 5.00 (# 2964:20 Unique 4.08, 4.29 A)
&rst
ixpk= 2964, nxpk= 20, iat=1357, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1373,1374,
&end
#
# 88 ASN HA 89 GLY HA+ 6.00 (# 2965:20 Unique 4.47, 4.83 A)
&rst
ixpk= 2965, nxpk= 20, iat=1359, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1373,1374,
&end
#
# 88 ASN HA 89 GLY HA- 6.00 (# 2966:20 Unique 4.47, 4.83 A)
&rst
ixpk= 2966, nxpk= 20, iat=1359, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1373,1374,
&end
#
# 0 AMB 20-2:2969 0 AMB 20-1:2969 5.00 (# 2969:20 Double Ambig)
&rst
ixpk= 2969, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr1=1399,1400,1382,1383,
igr2=1373,1374,1373,1374,
&end
#
# 0 AMB 20-2:2970 0 AMB 20-1:2970 5.00 (# 2970:20 Double Ambig)
&rst
ixpk= 2970, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr1=1382,1383, 494, 495,
igr2=1373,1374,1373,1374,
&end
#
# 0 AMB 20-2:2971 89 GLY HA- 6.00 (# 2971:20 Single Ambig)
&rst
ixpk= 2971, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1399,1400,1382,1383,
igr2=1373,1374,
&end
#
# 0 AMB 20-2:2972 89 GLY HA- 5.00 (# 2972:20 Single Ambig)
&rst
ixpk= 2972, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1382,1383, 494, 495,
igr2=1373,1374,
&end
#
# 88 ASN HB+ 89 GLY HA+ 6.00 (# 2973:20 Unique 5.77, 5.98 A)
&rst
ixpk= 2973, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1361,1362,
igr2=1373,1374,
&end
#
# 88 ASN HB+ 89 GLY HA- 6.00 (# 2974:20 Unique 5.77, 5.98 A)
&rst
ixpk= 2974, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1361,1362,
igr2=1373,1374,
&end
#
# 0 AMB 20-2:2975 89 GLY HA- 5.00 (# 2975:20 Single Ambig)
&rst
ixpk= 2975, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
igr1=1385,1386,1291,1292,1389,1390,1391,
igr2=1373,1374,
&end
#
# 0 AMB 20-2:2976 0 AMB 20-1:2976 5.00 (# 2976:20 Double Ambig)
&rst
ixpk= 2976, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.32, r4= 9.82,
igr1=1385,1386,1291,1292,1389,1390,1391,
igr2=1373,1374,1373,1374,1373,1374,
&end
#
# 0 AMB 20-2:2977 0 AMB 20-1:2977 6.00 (# 2977:20 Double Ambig)
&rst
ixpk= 2977, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.09, r4=13.59,
igr1=1311,1312,1313,1315,1316,1317,1552,1553,1554,1556,
1557,1558,1552,1553,1554,1556,1557,1558,
igr2=1373,1374,1373,1374,1373,1374,
&end
#
# 0 AMB 20-2:2978 89 GLY HA- 5.00 (# 2978:20 Single Ambig)
&rst
ixpk= 2978, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
igr1=1311,1312,1313,1315,1316,1317,1552,1553,1554,1556,
1557,1558,1552,1553,1554,1556,1557,1558,
igr2=1373,1374,
&end
#
# 85 LEU HG 90 MET HB+ 6.00 (# 2980:20 Unique 6.82, 6.92 A)
&rst
ixpk= 2980, nxpk= 20, iat=1309, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1382,1383,
&end
#
# 85 LEU HG 90 MET HB- 6.00 (# 2981:20 Unique 6.82, 6.92 A)
&rst
ixpk= 2981, nxpk= 20, iat=1309, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1382,1383,
&end
#
# 91 ASN HD2- 91 ASN HA 5.00 (# 2982:20 Preassigned 2.31, 2.95 A)
&rst
ixpk= 2982, nxpk= 20, iat= -1,1397, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1404,1405,
&end
#
# 93 ARG HG+ 91 ASN HB- 6.00 (# 2984:20 Unique 6.51, 7.39 A)
&rst
ixpk= 2984, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1423,1424,
igr2=1399,1400,
&end
#
# 93 ARG HG+ 91 ASN HB+ 6.00 (# 2985:20 Unique 6.51, 7.39 A)
&rst
ixpk= 2985, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1423,1424,
igr2=1399,1400,
&end
#
# 92 GLY HN 92 GLY HA+ 4.00 (# 2986:20 Unique 2.63, 2.80 A)
&rst
ixpk= 2986, nxpk= 20, iat=1409, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1411,1412,
&end
#
# 98 SER HA 97 GLY HA+ 6.00 (# 2987:20 Unique 4.53, 4.66 A)
&rst
ixpk= 2987, nxpk= 20, iat=1501, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1494,1495,
&end
#
# 93 ARG HG+ 92 GLY HA+ 6.00 (# 2988:20 Unique 4.90, 6.15 A)
&rst
ixpk= 2988, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1423,1424,
igr2=1411,1412,
&end
#
# 93 ARG HB- 92 GLY HA+ 5.00 (# 2989:20 Unique 4.85, 5.74 A)
&rst
ixpk= 2989, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1420,1421,
igr2=1411,1412,
&end
#
# 93 ARG HG+ 93 ARG HB+ 3.00 (# 2990:20 Unique 2.38, 2.61 A)
&rst
ixpk= 2990, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1423,1424,
igr2=1420,1421,
&end
#
# 93 ARG HG+ 93 ARG HB- 3.00 (# 2991:20 Unique 2.38, 2.61 A)
&rst
ixpk= 2991, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1423,1424,
igr2=1420,1421,
&end
#
# 93 ARG HA 93 ARG HG+ 4.00 (# 2992:20 Unique 2.60, 3.12 A)
&rst
ixpk= 2992, nxpk= 20, iat=1418, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1423,1424,
&end
#
# 93 ARG HN 93 ARG HD+ 5.00 (# 2993:20 Unique 4.51, 4.92 A)
&rst
ixpk= 2993, nxpk= 20, iat=1416, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1426,1427,
&end
#
# 93 ARG HG+ 93 ARG HD- 3.00 (# 2994:20 Unique 2.41, 2.60 A)
&rst
ixpk= 2994, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1423,1424,
igr2=1426,1427,
&end
#
# 95 ILE HB 94 THR HB 6.00 (# 2995:20 Preassigned 5.24, 5.24 A)
&rst
ixpk= 2995, nxpk= 20, iat=1458,1444, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:2996 95 ILE HA 5.00 (# 2996:20 Single Ambig)
&rst
ixpk= 2996, nxpk= 20, iat= -1,1456, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1=1389,1390,1391,1385,1386,
&end
#
# 95 ILE HG1+ 95 ILE HA 4.00 (# 2997:20 Unique 2.53, 2.74 A)
&rst
ixpk= 2997, nxpk= 20, iat= -1,1456, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1464,1465,
&end
#
# 0 AMB 20-2:2999 0 AMB 20-1:2999 3.00 (# 2999:20 Double Ambig)
&rst
ixpk= 2999, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1482,1483,1484,1486,1487,1488,1464,1465,
igr2=1477,1478,1458,
&end
#
# 32 TRP HE1 95 ILE HG1+ 5.00 (# 3000:20 Unique 2.04, 2.49 A)
&rst
ixpk= 3000, nxpk= 20, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1464,1465,
&end
#
# 95 ILE QG2 95 ILE HG1- 4.00 (# 3001:20 Unique 2.49, 3.48 A)
&rst
ixpk= 3001, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1460,1461,1462,
igr2=1464,1465,
&end
#
# 95 ILE HN 95 ILE QG2 6.00 (# 3002:20 Unique 4.33, 4.70 A)
&rst
ixpk= 3002, nxpk= 20, iat=1454, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1460,1461,1462,
&end
#
# 96 LEU HN 95 ILE QG2 5.00 (# 3003:20 Unique 3.12, 3.62 A)
&rst
ixpk= 3003, nxpk= 20, iat=1473, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1460,1461,1462,
&end
#
# 25 ALA HN 95 ILE QG2 6.00 (# 3004:20 Preassigned 4.75, 4.89 A)
&rst
ixpk= 3004, nxpk= 20, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1460,1461,1462,
&end
#
# 21 TRP HZ2 95 ILE QG2 5.00 (# 3005:20 Unique 3.13, 3.92 A)
&rst
ixpk= 3005, nxpk= 20, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1460,1461,1462,
&end
#
# 33 PHE HE 95 ILE QG2 6.00 (# 3006:20 Unique 2.83, 5.08 A)
&rst
ixpk= 3006, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 500, 504,
igr2=1460,1461,1462,
&end
#
# 30 ASP HB- 95 ILE QG2 6.00 (# 3007:20 Unique 4.25, 5.84 A)
&rst
ixpk= 3007, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 434, 435,
igr2=1460,1461,1462,
&end
#
# 30 ASP HB+ 95 ILE QG2 6.00 (# 3008:20 Unique 4.25, 5.84 A)
&rst
ixpk= 3008, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 434, 435,
igr2=1460,1461,1462,
&end
#
# 22 LEU HA 95 ILE QG2 6.00 (# 3009:20 Unique 3.37, 3.93 A)
&rst
ixpk= 3009, nxpk= 20, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1460,1461,1462,
&end
#
# 0 AMB 20-2:3010 95 ILE QG2 5.00 (# 3010:20 Single Ambig)
&rst
ixpk= 3010, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 294, 295,1444, 356,
igr2=1460,1461,1462,
&end
#
# 97 GLY HN 96 LEU HB+ 6.00 (# 3011:20 Unique 4.23, 4.34 A)
&rst
ixpk= 3011, nxpk= 20, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1477,1478,
&end
#
# 0 AMB 20-2:3012 96 LEU HB- 4.00 (# 3012:20 Single Ambig)
&rst
ixpk= 3012, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1480, 368, 369, 370,
igr2=1477,1478,
&end
#
# 0 AMB 20-2:3013 0 AMB 20-1:3013 4.00 (# 3013:20 Double Ambig)
&rst
ixpk= 3013, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=1480, 368, 369, 370,
igr2=1477,1478,1477,1478,
&end
#
# 96 LEU HN 96 LEU HG 5.00 (# 3014:20 Unique 2.81, 2.81 A)
&rst
ixpk= 3014, nxpk= 20, iat=1473,1480, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 96 LEU HN 96 LEU MDX 6.00 (# 3015:20 Unique 3.55, 4.77 A)
&rst
ixpk= 3015, nxpk= 20, iat=1473, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1482,1483,1484,1486,1487,1488,
&end
#
# 105 PHE HD 96 LEU MDX 6.00 (# 3016:20 Preassigned 5.69, 8.02 A)
&rst
ixpk= 3016, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1612,1620,
igr2=1482,1483,1484,1486,1487,1488,
&end
#
# 28 ASN HD2- 96 LEU MDX 6.00 (# 3017:20 Unique 2.96, 4.51 A)
&rst
ixpk= 3017, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 418, 419,
igr2=1482,1483,1484,1486,1487,1488,
&end
#
# 21 TRP HZ2 96 LEU MDX 5.00 (# 3018:20 Unique 4.56, 6.44 A)
&rst
ixpk= 3018, nxpk= 20, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1482,1483,1484,1486,1487,1488,
&end
#
# 28 ASN HB+ 96 LEU MDX 5.00 (# 3021:20 Unique 2.24, 4.50 A)
&rst
ixpk= 3021, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 413, 414,
igr2=1482,1483,1484,1486,1487,1488,
&end
#
# 96 LEU HB+ 96 LEU MDX 3.00 (# 3022:20 Unique 2.44, 3.31 A)
&rst
ixpk= 3022, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1477,1478,
igr2=1482,1483,1484,1486,1487,1488,
&end
#
# 95 ILE QG2 96 LEU MDX 4.00 (# 3023:20 Unique 3.51, 5.71 A)
&rst
ixpk= 3023, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1460,1461,1462,
igr2=1482,1483,1484,1486,1487,1488,
&end
#
# 96 LEU HN 96 LEU MDY 5.00 (# 3024:20 Unique 3.55, 4.77 A)
&rst
ixpk= 3024, nxpk= 20, iat=1473, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1482,1483,1484,1486,1487,1488,
&end
#
# 25 ALA HN 96 LEU MDY 5.00 (# 3025:20 Unique 2.93, 4.46 A)
&rst
ixpk= 3025, nxpk= 20, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1482,1483,1484,1486,1487,1488,
&end
#
# 98 SER HB+ 98 SER HA 3.00 (# 3026:20 Unique 2.49, 2.77 A)
&rst
ixpk= 3026, nxpk= 20, iat= -1,1501, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1503,1504,
&end
#
# 98 SER HB- 98 SER HA 3.00 (# 3027:20 Unique 2.49, 2.77 A)
&rst
ixpk= 3027, nxpk= 20, iat= -1,1501, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1503,1504,
&end
#
# 100 ILE HN 98 SER HB+ 6.00 (# 3028:20 Unique 2.35, 2.87 A)
&rst
ixpk= 3028, nxpk= 20, iat=1524, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1503,1504,
&end
#
# 100 ILE HN 98 SER HB- 6.00 (# 3029:20 Unique 2.35, 2.87 A)
&rst
ixpk= 3029, nxpk= 20, iat=1524, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1503,1504,
&end
#
# 21 TRP HZ3 98 SER HB- 6.00 (# 3030:20 Preassigned 6.46, 6.89 A)
&rst
ixpk= 3030, nxpk= 20, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1503,1504,
&end
#
# 0 AMB 20-2:3031 98 SER HB- 5.00 (# 3031:20 Single Ambig)
&rst
ixpk= 3031, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1569,1570,1458,1528,
igr2=1503,1504,
&end
#
# 0 AMB 20-2:3032 99 THR HA 6.00 (# 3032:20 Single Ambig)
&rst
ixpk= 3032, nxpk= 20, iat= -1,1512, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1=1530,1531,1532,1552,1553,1554,1556,1557,1558,1311,
1312,1313,1315,1316,1317,
&end
#
# 95 ILE HN 99 THR HA 5.00 (# 3033:20 Unique 4.26, 4.26 A)
&rst
ixpk= 3033, nxpk= 20, iat=1454,1512, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 99 THR HN 99 THR HB 6.00 (# 3034:20 Unique 3.53, 3.53 A)
&rst
ixpk= 3034, nxpk= 20, iat=1510,1514, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 100 ILE QG2 99 THR HB 6.00 (# 3036:20 Unique 4.02, 5.09 A)
&rst
ixpk= 3036, nxpk= 20, iat= -1,1514, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1530,1531,1532,
&end
#
# 94 THR HB 99 THR MG2 5.00 (# 3037:20 Unique 4.69, 5.24 A)
&rst
ixpk= 3037, nxpk= 20, iat=1444, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1516,1517,1518,
&end
#
# 0 AMB 20-2:3038 0 AMB 20-1:3038 4.00 (# 3038:20 Double Ambig)
&rst
ixpk= 3038, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1526,1514,
igr2=1534,1535,1534,1535,
&end
#
# 100 ILE QD1 100 ILE HG1- 3.00 (# 3039:20 Unique 2.48, 2.67 A)
&rst
ixpk= 3039, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1537,1538,1539,
igr2=1534,1535,
&end
#
# 100 ILE QD1 100 ILE HG1+ 3.00 (# 3040:20 Unique 2.48, 2.67 A)
&rst
ixpk= 3040, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1537,1538,1539,
igr2=1534,1535,
&end
#
# 100 ILE HB 100 ILE HG1- 3.00 (# 3041:20 Unique 2.46, 2.71 A)
&rst
ixpk= 3041, nxpk= 20, iat=1528, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1534,1535,
&end
#
# 100 ILE HB 100 ILE HG1+ 4.00 (# 3042:20 Unique 2.46, 2.71 A)
&rst
ixpk= 3042, nxpk= 20, iat=1528, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1534,1535,
&end
#
# 100 ILE HN 100 ILE QD1 4.00 (# 3043:20 Unique 4.71, 4.83 A)
&rst
ixpk= 3043, nxpk= 20, iat=1524, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1537,1538,1539,
&end
#
# 100 ILE HG1- 100 ILE QD1 3.00 (# 3044:20 Unique 2.48, 2.67 A)
&rst
ixpk= 3044, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1534,1535,
igr2=1537,1538,1539,
&end
#
# 100 ILE HB 100 ILE QG2 4.00 (# 3045:20 Unique 2.48, 2.67 A)
&rst
ixpk= 3045, nxpk= 20, iat=1528, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1530,1531,1532,
&end
#
# 0 AMB 20-2:3047 101 LEU MDX 3.00 (# 3047:20 Single Ambig)
&rst
ixpk= 3047, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1311,1312,1313,1315,1316,1317,1547,1548,
igr2=1552,1553,1554,1556,1557,1558,
&end
#
# 22 LEU MDX 101 LEU MDX 5.00 (# 3048:20 Unique 3.26, 6.28 A)
&rst
ixpk= 3048, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
igr1= 323, 324, 325, 327, 328, 329,
igr2=1552,1553,1554,1556,1557,1558,
&end
#
# 53 TYR HE 101 LEU MDY 6.00 (# 3050:20 Preassigned 4.59, 6.62 A)
&rst
ixpk= 3050, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 837, 842,
igr2=1552,1553,1554,1556,1557,1558,
&end
#
# 101 LEU HA 101 LEU MDY 5.00 (# 3051:20 Unique 2.36, 3.92 A)
&rst
ixpk= 3051, nxpk= 20, iat=1545, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1552,1553,1554,1556,1557,1558,
&end
#
# 103 ASP HN 102 GLU HB- 5.00 (# 3052:20 Unique 2.88, 3.36 A)
&rst
ixpk= 3052, nxpk= 20, iat=1577, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1566,1567,
&end
#
# 104 GLU HN 102 GLU HB- 6.00 (# 3053:20 Unique 2.97, 3.45 A)
&rst
ixpk= 3053, nxpk= 20, iat=1589, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1566,1567,
&end
#
# 0 AMB 20-2:3054 102 GLU HB- 5.00 (# 3054:20 Single Ambig)
&rst
ixpk= 3054, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1612,1620, 307,
igr2=1566,1567,
&end
#
# 0 AMB 20-2:3055 0 AMB 20-1:3055 5.00 (# 3055:20 Double Ambig)
&rst
ixpk= 3055, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1612,1620, 307,
igr2=1566,1567,1566,1567,
&end
#
# 104 GLU HN 102 GLU HB+ 6.00 (# 3056:20 Unique 2.97, 3.45 A)
&rst
ixpk= 3056, nxpk= 20, iat=1589, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1566,1567,
&end
#
# 21 TRP HZ2 102 GLU HB+ 6.00 (# 3057:20 Unique 4.37, 4.98 A)
&rst
ixpk= 3057, nxpk= 20, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1566,1567,
&end
#
# 103 ASP HN 102 GLU HB+ 5.00 (# 3058:20 Unique 2.88, 3.36 A)
&rst
ixpk= 3058, nxpk= 20, iat=1577, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1566,1567,
&end
#
# 21 TRP HD1 102 GLU HB+ 6.00 (# 3059:20 Unique 3.38, 3.93 A)
&rst
ixpk= 3059, nxpk= 20, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1566,1567,
&end
#
# 0 AMB 20-2:3061 0 AMB 20-1:3061 6.00 (# 3061:20 Double Ambig)
&rst
ixpk= 3061, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1545,1503,1504,
igr2=1566,1567,1566,1567,
&end
#
# 105 PHE HN 102 GLU HG+ 6.00 (# 3063:20 Unique 7.13, 7.47 A)
&rst
ixpk= 3063, nxpk= 20, iat=1604, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1569,1570,
&end
#
# 104 GLU HA 102 GLU HG+ 6.00 (# 3064:20 Unique 8.17, 8.47 A)
&rst
ixpk= 3064, nxpk= 20, iat=1591, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1569,1570,
&end
#
# 17 ASN HN 103 ASP HA 6.00 (# 3065:20 Unique 4.78, 4.78 A)
&rst
ixpk= 3065, nxpk= 20, iat= 231,1579, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 14 ILE HN 103 ASP HA 6.00 (# 3066:20 Unique 5.35, 5.35 A)
&rst
ixpk= 3066, nxpk= 20, iat= 179,1579, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:3067 103 ASP HA 5.00 (# 3067:20 Single Ambig)
&rst
ixpk= 3067, nxpk= 20, iat= -1,1579, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1591, 263,
&end
#
# 102 GLU HA 103 ASP HA 6.00 (# 3068:20 Unique 4.59, 4.59 A)
&rst
ixpk= 3068, nxpk= 20, iat=1564,1579, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 18 VAL MGX 103 ASP HB- 4.00 (# 3069:20 Unique 2.26, 4.23 A)
&rst
ixpk= 3069, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 251, 252, 253, 255, 256, 257,
igr2=1581,1582,
&end
#
# 18 VAL MGY 103 ASP HB- 3.00 (# 3070:20 Unique 2.26, 4.23 A)
&rst
ixpk= 3070, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 251, 252, 253, 255, 256, 257,
igr2=1581,1582,
&end
#
# 18 VAL MGY 103 ASP HB+ 3.00 (# 3071:20 Unique 2.26, 4.23 A)
&rst
ixpk= 3071, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 251, 252, 253, 255, 256, 257,
igr2=1581,1582,
&end
#
# 105 PHE HD 104 GLU HB- 4.00 (# 3072:20 Unique 3.68, 4.85 A)
&rst
ixpk= 3072, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1612,1620,
igr2=1593,1594,
&end
#
# 105 PHE HN 104 GLU HB+ 5.00 (# 3073:20 Unique 3.74, 4.05 A)
&rst
ixpk= 3073, nxpk= 20, iat=1604, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1593,1594,
&end
#
# 105 PHE HN 104 GLU HB- 6.00 (# 3074:20 Unique 3.74, 4.05 A)
&rst
ixpk= 3074, nxpk= 20, iat=1604, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1593,1594,
&end
#
# 105 PHE HA 104 GLU HG+ 6.00 (# 3075:20 Unique 6.64, 6.68 A)
&rst
ixpk= 3075, nxpk= 20, iat=1606, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1596,1597,
&end
#
# 102 GLU HB- 104 GLU HG+ 5.00 (# 3076:20 Unique 3.66, 5.31 A)
&rst
ixpk= 3076, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1566,1567,
igr2=1596,1597,
&end
#
# 37 PHE HD 37 PHE HA 4.00 (# 3077:20 Unique 2.32, 3.54 A)
&rst
ixpk= 3077, nxpk= 20, iat= -1, 569, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 575, 583,
&end
#
# 0 AMB 20-2:3078 105 PHE HA 3.00 (# 3078:20 Single Ambig)
&rst
ixpk= 3078, nxpk= 20, iat= -1,1606, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1608,1609,1608,1609,
&end
#
# 106 THR HN 105 PHE HA 5.00 (# 3079:20 Unique 2.22, 2.22 A)
&rst
ixpk= 3079, nxpk= 20, iat=1624,1606, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 105 PHE HD 105 PHE HA 5.00 (# 3080:20 Unique 2.94, 3.62 A)
&rst
ixpk= 3080, nxpk= 20, iat= -1,1606, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1612,1620,
&end
#
# 105 PHE HD 105 PHE HB+ 4.00 (# 3082:20 Unique 2.37, 3.06 A)
&rst
ixpk= 3082, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1612,1620,
igr2=1608,1609,
&end
#
# 106 THR MG2 106 THR HA 5.00 (# 3083:20 Unique 2.37, 2.93 A)
&rst
ixpk= 3083, nxpk= 20, iat= -1,1626, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1630,1631,1632,
&end
#
# 107 PRO HD+ 107 PRO HB- 4.00 (# 3085:20 Unique 3.03, 3.76 A)
&rst
ixpk= 3085, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1639,1640,
igr2=1645,1646,
&end
#
# 107 PRO HA 107 PRO HB- 4.00 (# 3086:20 Unique 2.32, 2.66 A)
&rst
ixpk= 3086, nxpk= 20, iat=1648, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1645,1646,
&end
#
# 63 ILE QG2 107 PRO HB+ 3.00 (# 3087:20 Preassigned 2.37, 3.97 A)
&rst
ixpk= 3087, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 991, 992, 993,
igr2=1645,1646,
&end
#
# 106 THR HN 107 PRO HD+ 6.00 (# 3088:20 Unique 4.84, 4.99 A)
&rst
ixpk= 3088, nxpk= 20, iat=1624, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1639,1640,
&end
#
# 63 ILE QG2 108 PHE HB+ 3.00 (# 3090:20 Preassigned 4.52, 5.33 A)
&rst
ixpk= 3090, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 991, 992, 993,
igr2=1656,1657,
&end
#
# 63 ILE QG2 108 PHE HB- 3.00 (# 3091:20 Preassigned 4.52, 5.33 A)
&rst
ixpk= 3091, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 991, 992, 993,
igr2=1656,1657,
&end
#
# 0 AMB 20-2:3092 0 AMB 20-1:3092 3.00 (# 3092:20 Double Ambig)
&rst
ixpk= 3092, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1676,1677, 652, 653,
igr2=1674, 650,
&end
#
# 112 ARG HG- 111 VAL HB 6.00 (# 3095:20 Preassigned 4.10, 4.78 A)
&rst
ixpk= 3095, nxpk= 20, iat= -1,1704, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1723,1724,
&end
#
# 111 VAL HN 111 VAL MGY 3.00 (# 3096:20 Preassigned 2.45, 3.88 A)
&rst
ixpk= 3096, nxpk= 20, iat=1700, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1706,1707,1708,1710,1711,1712,
&end
#
# 110 VAL HB 110 VAL MGY 3.00 (# 3097:20 Preassigned 2.36, 2.63 A)
&rst
ixpk= 3097, nxpk= 20, iat=1688, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1690,1691,1692,1694,1695,1696,
&end
#
# 111 VAL HN 111 VAL HA 4.00 (# 3098:20 Preassigned 2.89, 2.89 A)
&rst
ixpk= 3098, nxpk= 20, iat=1700,1702, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 110 VAL HB 110 VAL HA 3.00 (# 3101:20 Preassigned 3.03, 3.03 A)
&rst
ixpk= 3101, nxpk= 20, iat=1688,1686, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:3104 0 AMB 20-1:3104 3.00 (# 3104:20 Double Ambig)
&rst
ixpk= 3104, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1723,1724,1723,1724,
igr2=1720,1721,1720,1721,
&end
#
# 70 GLN HE2+ 113 GLN HG+ 6.00 (# 3105:20 Unique 9.13,10.36 A)
&rst
ixpk= 3105, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1096,1097,
igr2=1747,1748,
&end
#
# 113 GLN HB+ 113 GLN HG+ 3.00 (# 3107:20 Unique 2.47, 2.78 A)
&rst
ixpk= 3107, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1744,1745,
igr2=1747,1748,
&end
#
# 114 CYS HB- 115 SER HA 6.00 (# 3111:20 Unique 4.83, 4.83 A)
&rst
ixpk= 3111, nxpk= 20, iat= -1,1770, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1761,1762,
&end
#
# 117 VAL HN 116 GLY HA+ 6.00 (# 3112:20 Unique 3.13, 3.31 A)
&rst
ixpk= 3112, nxpk= 20, iat=1786, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1781,1782,
&end
#
# 117 VAL HA 117 VAL MGX 4.00 (# 3113:20 Unique 2.57, 3.16 A)
&rst
ixpk= 3113, nxpk= 20, iat=1788, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1792,1793,1794,1796,1797,1798,
&end
#
# 117 VAL HN 117 VAL MGX 5.00 (# 3114:20 Unique 2.10, 3.77 A)
&rst
ixpk= 3114, nxpk= 20, iat=1786, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1792,1793,1794,1796,1797,1798,
&end
#
# 117 VAL HN 117 VAL MGY 4.00 (# 3115:20 Unique 2.10, 3.77 A)
&rst
ixpk= 3115, nxpk= 20, iat=1786, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1792,1793,1794,1796,1797,1798,
&end
#
# 117 VAL HA 117 VAL MGY 4.00 (# 3116:20 Unique 2.57, 3.16 A)
&rst
ixpk= 3116, nxpk= 20, iat=1788, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1792,1793,1794,1796,1797,1798,
&end
#
# 117 VAL HB 117 VAL MGY 3.00 (# 3117:20 Unique 2.46, 2.67 A)
&rst
ixpk= 3117, nxpk= 20, iat=1790, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1792,1793,1794,1796,1797,1798,
&end
#
# 119 PHE HD 118 THR HA 6.00 (# 3118:20 Preassigned 6.05, 6.30 A)
&rst
ixpk= 3118, nxpk= 20, iat= -1,1804, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1824,1832,
&end
#
# 118 THR HN 118 THR HA 5.00 (# 3119:20 Unique 2.78, 2.78 A)
&rst
ixpk= 3119, nxpk= 20, iat=1802,1804, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 119 PHE HN 118 THR HB 5.00 (# 3120:20 Unique 2.57, 2.57 A)
&rst
ixpk= 3120, nxpk= 20, iat=1816,1806, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 119 PHE HN 119 PHE HB+ 6.00 (# 3121:20 Unique 2.66, 3.02 A)
&rst
ixpk= 3121, nxpk= 20, iat=1816, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1820,1821,
&end
#
# 119 PHE HA 119 PHE HB- 4.00 (# 3122:20 Unique 2.39, 2.72 A)
&rst
ixpk= 3122, nxpk= 20, iat=1818, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1820,1821,
&end
#
# 120 GLN HB+ 120 GLN HA 4.00 (# 3123:20 Unique 2.49, 2.76 A)
&rst
ixpk= 3123, nxpk= 20, iat= -1,1838, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1840,1841,
&end
#
# 120 GLN HB- 120 GLN HA 4.00 (# 3124:20 Unique 2.49, 2.76 A)
&rst
ixpk= 3124, nxpk= 20, iat= -1,1838, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1840,1841,
&end
#
# 120 GLN HN 120 GLN HG+ 5.00 (# 3125:20 Unique 3.38, 3.82 A)
&rst
ixpk= 3125, nxpk= 20, iat=1836, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1843,1844,
&end
#
# 120 GLN HA 120 GLN HG+ 5.00 (# 3126:20 Unique 2.55, 2.85 A)
&rst
ixpk= 3126, nxpk= 20, iat=1838, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1843,1844,
&end
#
# 46 LEU HA 49 MET HG+ 5.00 (# 3128:20 Unique 4.36, 5.10 A)
&rst
ixpk= 3128, nxpk= 20, iat= 710, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 760, 761,
&end
#
# 0 AMB 20-2:3129 0 AMB 20-1:3129 6.00 (# 3129:20 Double Ambig)
&rst
ixpk= 3129, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
igr1= 251, 252, 253, 255, 256, 257,1547,1548,
igr2= 294, 295, 294, 295,
&end
#
# 0 AMB 20-2:3130 21 TRP HB- 6.00 (# 3130:20 Single Ambig)
&rst
ixpk= 3130, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 251, 252, 253, 255, 256, 257,1547,1548,
igr2= 294, 295,
&end
#
# 70 GLN HG+ 71 THR HA 6.00 (# 3132:20 Unique 6.33, 6.50 A)
&rst
ixpk= 3132, nxpk= 20, iat= -1,1103, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1091,1092,
&end
#
# 0 AMB 20-2:3133 86 LEU MDX 5.00 (# 3133:20 Single Ambig)
&rst
ixpk= 3133, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
igr1=1269,1270,1306,1307,1250,1251,1344,1345,
igr2=1330,1331,1332,1334,1335,1336,
&end
#
# 0 AMB 20-2:3134 86 LEU MDX 5.00 (# 3134:20 Single Ambig)
&rst
ixpk= 3134, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.05, r4=10.55,
igr1= 774, 775,1550,1547,1548,1311,1312,1313,1315,1316,
1317,
igr2=1330,1331,1332,1334,1335,1336,
&end
#
# 0 AMB 20-2:3135 86 LEU MDX 5.00 (# 3135:20 Single Ambig)
&rst
ixpk= 3135, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
igr1=1255,1256,1257,1259,1260,1261,1272,1273,
igr2=1330,1331,1332,1334,1335,1336,
&end
#
# 0 AMB 20-2:3137 35 ASN HA 5.00 (# 3137:20 Single Ambig)
&rst
ixpk= 3137, nxpk= 20, iat= -1, 531, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 538, 539, 577, 581,
&end
#
# 45 ASN HN 41 LEU HA 5.00 (# 3139:20 Unique 3.92, 3.92 A)
&rst
ixpk= 3139, nxpk= 20, iat= 694, 631, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 43 ASP HN 46 LEU MDX 5.00 (# 3140:20 Unique 4.57, 6.68 A)
&rst
ixpk= 3140, nxpk= 20, iat= 662, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 717, 718, 719, 721, 722, 723,
&end
#
# 57 THR HA 59 ASP HB- 6.00 (# 3141:20 Unique 5.75, 6.17 A)
&rst
ixpk= 3141, nxpk= 20, iat= 898, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 931, 932,
&end
#
# 66 PRO HA 66 PRO HG+ 4.00 (# 3142:20 Unique 2.98, 3.46 A)
&rst
ixpk= 3142, nxpk= 20, iat=1040, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1034,1035,
&end
#
# 66 PRO HA 66 PRO HG- 4.00 (# 3143:20 Unique 2.98, 3.46 A)
&rst
ixpk= 3143, nxpk= 20, iat=1040, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1034,1035,
&end
#
# 67 LEU HN 66 PRO HG+ 6.00 (# 3144:20 Unique 4.36, 4.58 A)
&rst
ixpk= 3144, nxpk= 20, iat=1044, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1034,1035,
&end
#
# 67 LEU HN 66 PRO HG- 5.00 (# 3145:20 Unique 4.36, 4.58 A)
&rst
ixpk= 3145, nxpk= 20, iat=1044, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1034,1035,
&end
#
# 0 AMB 20-2:3147 86 LEU MDX 5.00 (# 3147:20 Single Ambig)
&rst
ixpk= 3147, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 794, 696,1526,
igr2=1330,1331,1332,1334,1335,1336,
&end
#
# 0 AMB 20-2:3149 86 LEU MDX 6.00 (# 3149:20 Single Ambig)
&rst
ixpk= 3149, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
igr1=1248,1373,1374, 772, 263,
igr2=1330,1331,1332,1334,1335,1336,
&end
#
# 82 LEU MDX 86 LEU MDX 4.00 (# 3150:20 Unique 2.72, 5.16 A)
&rst
ixpk= 3150, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1=1255,1256,1257,1259,1260,1261,
igr2=1330,1331,1332,1334,1335,1336,
&end
#
# 33 PHE HE 95 ILE HG1- 5.00 (# 3151:20 Unique 3.57, 5.82 A)
&rst
ixpk= 3151, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 500, 504,
igr2=1464,1465,
&end
#
# 95 ILE HN 95 ILE HG1- 5.00 (# 3152:20 Unique 3.17, 3.72 A)
&rst
ixpk= 3152, nxpk= 20, iat=1454, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1464,1465,
&end
#
# 97 GLY HN 96 LEU MDY 5.00 (# 3153:20 Unique 4.92, 6.29 A)
&rst
ixpk= 3153, nxpk= 20, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1482,1483,1484,1486,1487,1488,
&end
#
# 20 ALA HN 16 LEU HA 6.00 (# 3154:20 Unique 4.14, 4.14 A)
&rst
ixpk= 3154, nxpk= 20, iat= 280, 214, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 16 LEU HN 16 LEU HG 5.00 (# 3155:20 Unique 4.49, 4.49 A)
&rst
ixpk= 3155, nxpk= 20, iat= 212, 219, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 14 ILE HG1+ 14 ILE QD1 3.00 (# 3156:20 Unique 2.48, 2.67 A)
&rst
ixpk= 3156, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 189, 190,
igr2= 192, 193, 194,
&end
#
# 14 ILE HG1- 14 ILE QD1 3.00 (# 3157:20 Unique 2.48, 2.67 A)
&rst
ixpk= 3157, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 189, 190,
igr2= 192, 193, 194,
&end
#
# 14 ILE HB 14 ILE QD1 4.00 (# 3158:20 Unique 2.58, 3.16 A)
&rst
ixpk= 3158, nxpk= 20, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 192, 193, 194,
&end
#
# 14 ILE HN 14 ILE QD1 4.00 (# 3163:20 Unique 4.01, 4.46 A)
&rst
ixpk= 3163, nxpk= 20, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 192, 193, 194,
&end
#
# 18 VAL HB 15 THR HA 5.00 (# 3165:20 Unique 3.50, 3.50 A)
&rst
ixpk= 3165, nxpk= 20, iat= 249, 200, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 15 THR MG2 15 THR HA 3.00 (# 3166:20 Unique 2.46, 3.02 A)
&rst
ixpk= 3166, nxpk= 20, iat= -1, 200, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 204, 205, 206,
&end
#
# 0 AMB 20-2:3167 26 VAL HA 6.00 (# 3167:20 Single Ambig)
&rst
ixpk= 3167, nxpk= 20, iat= -1, 376, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 517, 403, 404, 405,
&end
#
# 0 AMB 20-2:3168 0 AMB 20-1:3168 6.00 (# 3168:20 Double Ambig)
&rst
ixpk= 3168, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 112, 113, 114, 102, 103, 104,
igr2= 120, 121, 120, 121,
&end
#
# 119 PHE HD 118 THR HB 6.00 (# 3169:20 Preassigned 6.79, 7.10 A)
&rst
ixpk= 3169, nxpk= 20, iat= -1,1806, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1824,1832,
&end
#
# 0 AMB 20-2:3172 0 AMB 20-1:3172 6.00 (# 3172:20 Double Ambig)
&rst
ixpk= 3172, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 770, 792,
igr2= 760, 761, 760, 761,
&end
#
# 0 AMB 20-2:3173 49 MET HG- 6.00 (# 3173:20 Single Ambig)
&rst
ixpk= 3173, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 770, 792,
igr2= 760, 761,
&end
#
# 101 LEU HA 101 LEU HG 4.00 (# 3174:20 Unique 3.33, 3.33 A)
&rst
ixpk= 3174, nxpk= 20, iat=1545,1550, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 95 ILE QD1 90 MET ME 3.00 (# 3175:20 Unique 2.86, 4.60 A)
&rst
ixpk= 3175, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1467,1468,1469,
igr2=1389,1390,1391,
&end
#
# 16 LEU HN 15 THR HB 4.00 (# 3177:20 Unique 2.32, 2.32 A)
&rst
ixpk= 3177, nxpk= 20, iat= 212, 202, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 54 GLU HB- 15 THR HB 5.00 (# 3179:20 Unique 3.32, 4.02 A)
&rst
ixpk= 3179, nxpk= 20, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 852, 853,
&end
#
# 23 TYR HE 23 TYR HB+ 6.00 (# 3180:20 Unique 4.69, 5.10 A)
&rst
ixpk= 3180, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 343, 348,
igr2= 337, 338,
&end
#
# 23 TYR HE 23 TYR HB- 6.00 (# 3181:20 Unique 4.69, 5.10 A)
&rst
ixpk= 3181, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 343, 348,
igr2= 337, 338,
&end
#
# 114 CYS HN 114 CYS HA 3.00 (# 3182:20 Unique 2.84, 2.84 A)
&rst
ixpk= 3182, nxpk= 20, iat=1757,1759, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 113 GLN HB+ 114 CYS HA 6.00 (# 3183:20 Unique 4.35, 4.41 A)
&rst
ixpk= 3183, nxpk= 20, iat= -1,1759, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1744,1745,
&end
#
# 60 HIS HD2 60 HIS HB- 6.00 (# 3185:20 Unique 3.01, 3.52 A)
&rst
ixpk= 3185, nxpk= 20, iat= 953, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 943, 944,
&end
#
# 60 HIS HD2 60 HIS HB+ 6.00 (# 3186:20 Unique 3.01, 3.52 A)
&rst
ixpk= 3186, nxpk= 20, iat= 953, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 943, 944,
&end
#
# 2 ARG HD+ 2 ARG HA 5.00 (# 3187:20 Unique 4.79, 4.82 A)
&rst
ixpk= 3187, nxpk= 20, iat= -1, 18, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 26, 27,
&end
#
# 45 ASN HD2+ 45 ASN HA 6.00 (# 3188:20 Unique 4.48, 4.56 A)
&rst
ixpk= 3188, nxpk= 20, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 703, 704,
&end
#
# 0 AMB 20-2:3189 9 GLY HA- 6.00 (# 3189:20 Single Ambig)
&rst
ixpk= 3189, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 112, 113, 114, 102, 103, 104,
igr2= 120, 121,
&end
#
# 0 AMB 20-2:3191 41 LEU MDY 4.00 (# 3191:20 Single Ambig)
&rst
ixpk= 3191, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 703, 704, 927,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 41 LEU HA 41 LEU MDY 4.00 (# 3192:20 Unique 2.30, 3.81 A)
&rst
ixpk= 3192, nxpk= 20, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 0 AMB 20-2:3193 41 LEU MDY 3.00 (# 3193:20 Single Ambig)
&rst
ixpk= 3193, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 633, 634, 636,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 19 LEU HN 15 THR MG2 5.00 (# 3195:20 Unique 4.54, 5.37 A)
&rst
ixpk= 3195, nxpk= 20, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 204, 205, 206,
&end
#
# 19 LEU HG 15 THR MG2 3.00 (# 3196:20 Unique 3.27, 4.17 A)
&rst
ixpk= 3196, nxpk= 20, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 204, 205, 206,
&end
#
# 19 LEU HB- 15 THR MG2 6.00 (# 3198:20 Unique 4.89, 6.38 A)
&rst
ixpk= 3198, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 265, 266,
igr2= 204, 205, 206,
&end
#
# 0 AMB 20-2:3199 0 AMB 20-1:3199 3.00 (# 3199:20 Double Ambig)
&rst
ixpk= 3199, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1008,1009,1155,1008,1009,
igr2=1013,1014,1015,1017,1018,1019,1157,1158,1159,1161,
1162,1163,
&end
#
# 0 AMB 20-2:3200 0 AMB 20-1:3200 3.00 (# 3200:20 Double Ambig)
&rst
ixpk= 3200, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1690,1691,1692,1694,1695,1696,1706,1707,1708,1710,
1711,1712,1706,1707,1708,1710,1711,1712,
igr2=1686,1702,
&end
#
# 51 TYR HD 86 LEU HA 6.00 (# 3203:20 Unique 4.67, 5.15 A)
&rst
ixpk= 3203, nxpk= 20, iat= -1,1323, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 800, 809,
&end
#
# 89 GLY HN 86 LEU HA 6.00 (# 3204:20 Preassigned 4.66, 4.66 A)
&rst
ixpk= 3204, nxpk= 20, iat=1371,1323, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 18 VAL HN 15 THR HA 4.00 (# 3206:20 Unique 3.48, 3.48 A)
&rst
ixpk= 3206, nxpk= 20, iat= 245, 200, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 67 LEU HA 67 LEU MDY 3.00 (# 3209:20 Unique 2.12, 3.81 A)
&rst
ixpk= 3209, nxpk= 20, iat=1046, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1053,1054,1055,1057,1058,1059,
&end
#
# 44 PHE HB- 41 LEU HA 4.00 (# 3210:20 Unique 2.43, 2.99 A)
&rst
ixpk= 3210, nxpk= 20, iat= -1, 631, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 678, 679,
&end
#
# 0 AMB 20-2:3211 27 ILE QD1 4.00 (# 3211:20 Single Ambig)
&rst
ixpk= 3211, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 392, 316,
igr2= 403, 404, 405,
&end
#
# 31 ARG HA 31 ARG HG- 6.00 (# 3212:20 Unique 2.66, 2.80 A)
&rst
ixpk= 3212, nxpk= 20, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 449, 450,
&end
#
# 64 LEU HG 16 LEU MDX 4.00 (# 3214:20 Preassigned 2.60, 4.32 A)
&rst
ixpk= 3214, nxpk= 20, iat=1011, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 221, 222, 223, 225, 226, 227,
&end
#
# 110 VAL HA 110 VAL HB 3.00 (# 3215:20 Preassigned 3.03, 3.03 A)
&rst
ixpk= 3215, nxpk= 20, iat=1686,1688, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 16 LEU HN 16 LEU MDX 6.00 (# 3217:20 Unique 4.53, 5.10 A)
&rst
ixpk= 3217, nxpk= 20, iat= 212, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 221, 222, 223, 225, 226, 227,
&end
#
# 112 ARG HA 111 VAL MGY 6.00 (# 3218:20 Preassigned 3.13, 5.32 A)
&rst
ixpk= 3218, nxpk= 20, iat=1718, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1706,1707,1708,1710,1711,1712,
&end
#
# 110 VAL HN 109 ASP HB+ 6.00 (# 3219:20 Unique 2.49, 3.16 A)
&rst
ixpk= 3219, nxpk= 20, iat=1684, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1676,1677,
&end
#
# 110 VAL HN 109 ASP HB- 6.00 (# 3220:20 Unique 2.49, 3.16 A)
&rst
ixpk= 3220, nxpk= 20, iat=1684, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1676,1677,
&end
#
# 110 VAL MGY 109 ASP HA 6.00 (# 3221:20 Preassigned 5.31, 6.76 A)
&rst
ixpk= 3221, nxpk= 20, iat= -1,1674, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1690,1691,1692,1694,1695,1696,
&end
#
# 108 PHE HD 109 ASP HA 6.00 (# 3222:20 Preassigned 5.12, 5.13 A)
&rst
ixpk= 3222, nxpk= 20, iat= -1,1674, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1660,1668,
&end
#
# 110 VAL HA 109 ASP HB+ 6.00 (# 3225:20 Unique 4.48, 5.16 A)
&rst
ixpk= 3225, nxpk= 20, iat=1686, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1676,1677,
&end
#
# 120 GLN HB+ 109 ASP HB+ 6.00 (# 3226:20 Preassigned 6.01, 7.49 A)
&rst
ixpk= 3226, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1840,1841,
igr2=1676,1677,
&end
#
# 112 ARG HA 111 VAL HB 6.00 (# 3227:20 Preassigned 4.73, 4.73 A)
&rst
ixpk= 3227, nxpk= 20, iat=1718,1704, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:3228 0 AMB 20-1:3228 3.00 (# 3228:20 Double Ambig)
&rst
ixpk= 3228, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1690,1691,1692,1694,1695,1696,1706,1707,1708,1710,
1711,1712,1706,1707,1708,1710,1711,1712,
igr2=1688,1704,
&end
#
# 118 THR HN 117 VAL MGX 6.00 (# 3230:20 Unique 2.24, 3.78 A)
&rst
ixpk= 3230, nxpk= 20, iat=1802, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1792,1793,1794,1796,1797,1798,
&end
#
# 68 SER HN 67 LEU MDY 6.00 (# 3231:20 Preassigned 4.65, 5.51 A)
&rst
ixpk= 3231, nxpk= 20, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1053,1054,1055,1057,1058,1059,
&end
#
# 66 PRO HB+ 111 VAL MGY 4.00 (# 3235:20 Unique 2.33, 4.02 A)
&rst
ixpk= 3235, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1037,1038,
igr2=1706,1707,1708,1710,1711,1712,
&end
#
# 15 THR HN 15 THR HB 4.00 (# 3236:20 Unique 2.66, 2.66 A)
&rst
ixpk= 3236, nxpk= 20, iat= 198, 202, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 32 TRP HH2 101 LEU HB+ 6.00 (# 3237:20 Preassigned 11.24,11.47 A)
&rst
ixpk= 3237, nxpk= 20, iat= 481, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1547,1548,
&end
#
# 32 TRP HH2 101 LEU HB- 6.00 (# 3238:20 Preassigned 11.24,11.47 A)
&rst
ixpk= 3238, nxpk= 20, iat= 481, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1547,1548,
&end
#
# 21 TRP HZ3 101 LEU HB- 6.00 (# 3239:20 Unique 3.29, 4.05 A)
&rst
ixpk= 3239, nxpk= 20, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1547,1548,
&end
#
# 21 TRP HZ3 101 LEU MDY 6.00 (# 3240:20 Unique 2.05, 3.86 A)
&rst
ixpk= 3240, nxpk= 20, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1552,1553,1554,1556,1557,1558,
&end
#
# 0 AMB 20-2:3241 101 LEU MDX 5.00 (# 3241:20 Single Ambig)
&rst
ixpk= 3241, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 309,1371,
igr2=1552,1553,1554,1556,1557,1558,
&end
#
# 33 PHE HD 85 LEU HG 6.00 (# 3242:20 Unique 4.56, 5.26 A)
&rst
ixpk= 3242, nxpk= 20, iat= -1,1309, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 498, 506,
&end
#
# 32 TRP HE1 30 ASP HB+ 6.00 (# 3245:20 Unique 5.51, 5.84 A)
&rst
ixpk= 3245, nxpk= 20, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 434, 435,
&end
#
# 32 TRP HE1 93 ARG HB+ 5.00 (# 3246:20 Unique 3.77, 4.48 A)
&rst
ixpk= 3246, nxpk= 20, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1420,1421,
&end
#
# 32 TRP HE1 93 ARG HB- 6.00 (# 3247:20 Unique 3.77, 4.48 A)
&rst
ixpk= 3247, nxpk= 20, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1420,1421,
&end
#
# 32 TRP HH2 85 LEU MDY 5.00 (# 3248:20 Unique 4.05, 5.33 A)
&rst
ixpk= 3248, nxpk= 20, iat= 481, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1311,1312,1313,1315,1316,1317,
&end
#
# 60 HIS HD2 59 ASP HB+ 6.00 (# 3249:20 Unique 5.88, 6.71 A)
&rst
ixpk= 3249, nxpk= 20, iat= 953, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 931, 932,
&end
#
# 60 HIS HD2 59 ASP HB- 6.00 (# 3250:20 Unique 5.88, 6.71 A)
&rst
ixpk= 3250, nxpk= 20, iat= 953, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 931, 932,
&end
#
# 60 HIS HD2 63 ILE HB 6.00 (# 3251:20 Unique 5.11, 5.11 A)
&rst
ixpk= 3251, nxpk= 20, iat= 953, 989, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 63 ILE HN 63 ILE QD1 5.00 (# 3252:20 Unique 3.47, 4.09 A)
&rst
ixpk= 3252, nxpk= 20, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 998, 999,1000,
&end
#
# 60 HIS HD2 63 ILE QD1 4.00 (# 3253:20 Unique 3.80, 4.51 A)
&rst
ixpk= 3253, nxpk= 20, iat= 953, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 998, 999,1000,
&end
#
# 0 AMB 20-2:3254 21 TRP HA 6.00 (# 3254:20 Single Ambig)
&rst
ixpk= 3254, nxpk= 20, iat= -1, 292, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 309, 245, 409,
&end
#
# 21 TRP HE1 96 LEU HG 6.00 (# 3255:20 Unique 4.48, 4.48 A)
&rst
ixpk= 3255, nxpk= 20, iat= 300,1480, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 21 TRP HE1 102 GLU HB+ 6.00 (# 3257:20 Unique 3.41, 3.96 A)
&rst
ixpk= 3257, nxpk= 20, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1566,1567,
&end
#
# 21 TRP HE1 102 GLU HB- 6.00 (# 3258:20 Unique 3.41, 3.96 A)
&rst
ixpk= 3258, nxpk= 20, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1566,1567,
&end
#
# 21 TRP HZ2 96 LEU HG 6.00 (# 3259:20 Unique 5.28, 5.28 A)
&rst
ixpk= 3259, nxpk= 20, iat= 303,1480, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 53 TYR HE 82 LEU MDX 5.00 (# 3262:20 Unique 3.35, 5.69 A)
&rst
ixpk= 3262, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 837, 842,
igr2=1255,1256,1257,1259,1260,1261,
&end
#
# 0 AMB 20-2:3263 0 AMB 20-1:3263 6.00 (# 3263:20 Double Ambig)
&rst
ixpk= 3263, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1=1004, 835, 844,
igr2= 221, 222, 223, 225, 226, 227,1255,1256,1257,1259,
1260,1261,
&end
#
# 0 AMB 20-2:3264 48 ALA HA 4.00 (# 3264:20 Single Ambig)
&rst
ixpk= 3264, nxpk= 20, iat= -1, 745, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 827,1321,
&end
#
# 51 TYR HE 47 VAL MGY 6.00 (# 3265:20 Unique 2.27, 5.76 A)
&rst
ixpk= 3265, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 802, 807,
igr2= 733, 734, 735, 737, 738, 739,
&end
#
# 0 AMB 20-2:3266 86 LEU HG 6.00 (# 3266:20 Single Ambig)
&rst
ixpk= 3266, nxpk= 20, iat= -1,1328, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 800, 809, 307,
&end
#
# 58 GLN HG+ 58 GLN HB+ 3.00 (# 3267:20 Unique 2.46, 2.61 A)
&rst
ixpk= 3267, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 917, 918,
igr2= 914, 915,
&end
#
# 58 GLN HG+ 58 GLN HB- 3.00 (# 3268:20 Unique 2.46, 2.61 A)
&rst
ixpk= 3268, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 917, 918,
igr2= 914, 915,
&end
#
# 0 AMB 20-2:3269 64 LEU MDX 6.00 (# 3269:20 Single Ambig)
&rst
ixpk= 3269, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 346,1044,
igr2=1013,1014,1015,1017,1018,1019,
&end
#
# 23 TYR HE 0 AMB 20-1:3270 6.00 (# 3270:20 Single Ambig)
&rst
ixpk= 3270, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 343, 348,
igr2=1013,1014,1015,1017,1018,1019,1157,1158,1159,1161,
1162,1163,
&end
#
# 23 TYR HD 64 LEU MDY 4.00 (# 3271:20 Unique 2.21, 5.72 A)
&rst
ixpk= 3271, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 341, 350,
igr2=1013,1014,1015,1017,1018,1019,
&end
#
# 95 ILE HN 97 GLY HA+ 5.00 (# 3272:20 Unique 4.64, 5.09 A)
&rst
ixpk= 3272, nxpk= 20, iat=1454, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1494,1495,
&end
#
# 75 VAL MGX 79 CYS HA 6.00 (# 3273:20 Preassigned 5.14, 7.04 A)
&rst
ixpk= 3273, nxpk= 20, iat= -1,1217, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1157,1158,1159,1161,1162,1163,
&end
#
# 43 ASP HB- 43 ASP HA 3.00 (# 3274:20 Unique 2.43, 2.73 A)
&rst
ixpk= 3274, nxpk= 20, iat= -1, 664, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 666, 667,
&end
#
# 0 AMB 20-2:3275 99 THR MG2 6.00 (# 3275:20 Single Ambig)
&rst
ixpk= 3275, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1=1389,1390,1391,1385,1386,
igr2=1516,1517,1518,
&end
#
# 49 MET HB+ 46 LEU HA 5.00 (# 3276:20 Preassigned 3.56, 4.40 A)
&rst
ixpk= 3276, nxpk= 20, iat= -1, 710, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 757, 758,
&end
#
# 28 ASN HB- 96 LEU MDX 6.00 (# 3277:20 Unique 2.24, 4.50 A)
&rst
ixpk= 3277, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 413, 414,
igr2=1482,1483,1484,1486,1487,1488,
&end
#
# 26 VAL HB 26 VAL MGX 3.00 (# 3278:20 Unique 2.45, 2.66 A)
&rst
ixpk= 3278, nxpk= 20, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 380, 381, 382, 384, 385, 386,
&end
#
# 95 ILE HG1- 95 ILE QD1 3.00 (# 3279:20 Unique 2.48, 2.67 A)
&rst
ixpk= 3279, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1464,1465,
igr2=1467,1468,1469,
&end
#
# 27 ILE HG1- 27 ILE QG2 3.00 (# 3280:20 Unique 2.49, 3.48 A)
&rst
ixpk= 3280, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 400, 401,
igr2= 396, 397, 398,
&end
#
# 101 LEU MDY 85 LEU HG 6.00 (# 3281:20 Preassigned 3.10, 4.38 A)
&rst
ixpk= 3281, nxpk= 20, iat= -1,1309, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1552,1553,1554,1556,1557,1558,
&end
#
# 101 LEU HG 100 ILE HA 5.00 (# 3282:20 Preassigned 3.68, 3.68 A)
&rst
ixpk= 3282, nxpk= 20, iat=1550,1526, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 96 LEU HG 95 ILE QG2 4.00 (# 3283:20 Preassigned 3.07, 3.74 A)
&rst
ixpk= 3283, nxpk= 20, iat=1480, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1460,1461,1462,
&end
#
# 69 ALA HN 69 ALA MB 3.00 (# 3284:20 Unique 2.51, 2.88 A)
&rst
ixpk= 3284, nxpk= 20, iat=1074, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1078,1079,1080,
&end
#
# 82 LEU HB- 19 LEU MDX 5.00 (# 3285:20 Preassigned 2.47, 4.60 A)
&rst
ixpk= 3285, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1250,1251,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 19 LEU MDY 64 LEU MDX 5.00 (# 3286:20 Preassigned 2.60, 5.47 A)
&rst
ixpk= 3286, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
igr1= 270, 271, 272, 274, 275, 276,
igr2=1013,1014,1015,1017,1018,1019,
&end
#
# 18 VAL MGY 13 THR HB 6.00 (# 3287:20 Preassigned 4.42, 6.12 A)
&rst
ixpk= 3287, nxpk= 20, iat= -1, 169, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 251, 252, 253, 255, 256, 257,
&end
#
# 86 LEU HN 85 LEU HA 4.00 (# 3289:20 Preassigned 3.59, 3.59 A)
&rst
ixpk= 3289, nxpk= 20, iat=1321,1304, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 53 TYR HN 54 GLU HA 6.00 (# 3290:20 Preassigned 5.09, 5.09 A)
&rst
ixpk= 3290, nxpk= 20, iat= 827, 850, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 104 GLU HG+ 104 GLU HA 4.00 (# 3291:20 Preassigned 2.48, 2.85 A)
&rst
ixpk= 3291, nxpk= 20, iat= -1,1591, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1596,1597,
&end
#
# 37 PHE HN 35 ASN HB+ 4.00 (# 3292:20 Preassigned 2.70, 3.55 A)
&rst
ixpk= 3292, nxpk= 20, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 533, 534,
&end
#
# 0 AMB 20-2:3293 0 AMB 20-1:3293 6.00 (# 3293:20 Double Ambig)
&rst
ixpk= 3293, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1= 167, 120, 121, 120, 121, 512,
igr2= 189, 190, 189, 190, 189, 190,1132,1133,
&end
#
# 0 AMB 20-2:3294 90 MET HA 5.00 (# 3294:20 Single Ambig)
&rst
ixpk= 3294, nxpk= 20, iat= -1,1380, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1416,1404,1405,
&end
#
# 94 THR HN 94 THR MG2 3.00 (# 3297:20 Preassigned 2.95, 3.71 A)
&rst
ixpk= 3297, nxpk= 20, iat=1440, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1446,1447,1448,
&end
#
# 111 VAL HA 111 VAL MGY 3.00 (# 3304:20 Preassigned 2.44, 3.18 A)
&rst
ixpk= 3304, nxpk= 20, iat=1702, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1706,1707,1708,1710,1711,1712,
&end
#
# 112 ARG HB- 112 ARG HA 3.00 (# 3305:20 Preassigned 2.63, 2.82 A)
&rst
ixpk= 3305, nxpk= 20, iat= -1,1718, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1720,1721,
&end
#
# 41 LEU HA 42 ASN HA 5.00 (# 3307:20 Preassigned 4.65, 4.65 A)
&rst
ixpk= 3307, nxpk= 20, iat= 631, 650, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 85 LEU HA 90 MET HA 6.00 (# 3308:20 Preassigned 4.96, 4.96 A)
&rst
ixpk= 3308, nxpk= 20, iat=1304,1380, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 33 PHE HZ 85 LEU MDX 5.00 (# 3310:20 Preassigned 6.31, 7.64 A)
&rst
ixpk= 3310, nxpk= 20, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1311,1312,1313,1315,1316,1317,
&end
#
# 32 TRP HH2 22 LEU MDX 5.00 (# 3312:20 Preassigned 8.07, 9.08 A)
&rst
ixpk= 3312, nxpk= 20, iat= 481, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 73 ILE HB 74 ALA HA 6.00 (# 3314:20 Preassigned 5.57, 5.57 A)
&rst
ixpk= 3314, nxpk= 20, iat=1126,1143, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 24 ALA MB 27 ILE QG2 5.00 (# 3315:20 Preassigned 5.47, 6.53 A)
&rst
ixpk= 3315, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 358, 359, 360,
igr2= 396, 397, 398,
&end
#
# 75 VAL MGX 56 LEU HG 5.00 (# 3316:20 Preassigned 4.54, 6.25 A)
&rst
ixpk= 3316, nxpk= 20, iat= -1, 884, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1157,1158,1159,1161,1162,1163,
&end
#
# 75 VAL MGX 79 CYS HA 5.00 (# 3318:20 Preassigned 5.14, 7.04 A)
&rst
ixpk= 3318, nxpk= 20, iat= -1,1217, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1157,1158,1159,1161,1162,1163,
&end
#
# 25 ALA MB 28 ASN HB- 6.00 (# 3319:20 Preassigned 5.09, 6.10 A)
&rst
ixpk= 3319, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 368, 369, 370,
igr2= 413, 414,
&end
#
# 56 LEU MDY 16 LEU MDX 4.00 (# 3320:20 Preassigned 3.40, 6.95 A)
&rst
ixpk= 3320, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1= 886, 887, 888, 890, 891, 892,
igr2= 221, 222, 223, 225, 226, 227,
&end
#
# 14 ILE HA 17 ASN HB+ 6.00 (# 3321:20 Preassigned 4.81, 5.69 A)
&rst
ixpk= 3321, nxpk= 20, iat= 181, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 235, 236,
&end
#
# 14 ILE HA 17 ASN HB- 6.00 (# 3322:20 Preassigned 4.81, 5.69 A)
&rst
ixpk= 3322, nxpk= 20, iat= 181, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 235, 236,
&end
#
# 108 PHE HD 109 ASP HB+ 6.00 (# 3323:20 Preassigned 5.08, 6.37 A)
&rst
ixpk= 3323, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1660,1668,
igr2=1676,1677,
&end
#
# 108 PHE HD 109 ASP HB- 6.00 (# 3324:20 Preassigned 5.08, 6.37 A)
&rst
ixpk= 3324, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1660,1668,
igr2=1676,1677,
&end
#
# 93 ARG HN 91 ASN HA 5.00 (# 3325:20 Preassigned 4.96, 4.96 A)
&rst
ixpk= 3325, nxpk= 20, iat=1416,1397, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 67 LEU HG 67 LEU MDY 5.00 (# 3326:20 Unique 2.43, 2.65 A)
&rst
ixpk= 3326, nxpk= 20, iat=1051, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1053,1054,1055,1057,1058,1059,
&end
#
# 58 GLN HA 58 GLN HG+ 3.00 (# 3329:20 Unique 3.20, 3.51 A)
&rst
ixpk= 3329, nxpk= 20, iat= 912, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 917, 918,
&end
#
# 14 ILE HN 15 THR HN 6.00 (# 0:10 Unique 4.16, 4.16 A)
&rst
ixpk= 0, nxpk= 10, iat= 179, 198, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 16 LEU HN 15 THR HN 5.00 (# 1:10 Unique 2.86, 2.86 A)
&rst
ixpk= 1, nxpk= 10, iat= 212, 198, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 54 GLU HN 15 THR HN 6.00 (# 2:10 Unique 3.01, 3.01 A)
&rst
ixpk= 2, nxpk= 10, iat= 848, 198, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 53 TYR HD 15 THR HN 5.00 (# 4:10 Unique 3.55, 5.42 A)
&rst
ixpk= 4, nxpk= 10, iat= -1, 198, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 835, 844,
&end
#
# 15 THR HB 15 THR HN 4.00 (# 5:10 Unique 2.66, 2.66 A)
&rst
ixpk= 5, nxpk= 10, iat= 202, 198, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 14 ILE HA 15 THR HN 3.00 (# 6:10 Unique 2.09, 2.09 A)
&rst
ixpk= 6, nxpk= 10, iat= 181, 198, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 15 THR HA 15 THR HN 4.00 (# 7:10 Unique 2.84, 2.84 A)
&rst
ixpk= 7, nxpk= 10, iat= 200, 198, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 54 GLU HG+ 15 THR HN 5.00 (# 8:10 Unique 3.52, 4.31 A)
&rst
ixpk= 8, nxpk= 10, iat= -1, 198, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 855, 856,
&end
#
# 54 GLU HB- 15 THR HN 5.00 (# 9:10 Unique 2.85, 3.73 A)
&rst
ixpk= 9, nxpk= 10, iat= -1, 198, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 852, 853,
&end
#
# 14 ILE HG1- 15 THR HN 6.00 (# 10:10 Unique 4.62, 4.84 A)
&rst
ixpk= 10, nxpk= 10, iat= -1, 198, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 189, 190,
&end
#
# 0 AMB 10-2:11 15 THR HN 4.00 (# 11:10 Single Ambig)
&rst
ixpk= 11, nxpk= 10, iat= -1, 198, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 204, 205, 206, 216, 217,
&end
#
# 0 AMB 10-2:12 15 THR HN 5.00 (# 12:10 Single Ambig)
&rst
ixpk= 12, nxpk= 10, iat= -1, 198, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
igr1= 189, 190, 216, 217, 251, 252, 253, 255, 256, 257,
&end
#
# 0 AMB 10-2:13 15 THR HN 4.00 (# 13:10 Single Ambig)
&rst
ixpk= 13, nxpk= 10, iat= -1, 198, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 185, 186, 187, 251, 252, 253, 255, 256, 257,
&end
#
# 0 AMB 10-2:14 15 THR HN 5.00 (# 14:10 Single Ambig)
&rst
ixpk= 14, nxpk= 10, iat= -1, 198, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 171, 172, 173, 886, 887, 888, 890, 891, 892,
&end
#
# 0 AMB 10-2:15 21 TRP HE1 5.00 (# 15:10 Single Ambig)
&rst
ixpk= 15, nxpk= 10, iat= -1, 300, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1612,1620, 307,
&end
#
# 0 AMB 10-2:16 21 TRP HE1 5.00 (# 16:10 Single Ambig)
&rst
ixpk= 16, nxpk= 10, iat= -1, 300, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1482,1483,1484,1486,1487,1488,1566,1567,
&end
#
# 96 LEU MDX 21 TRP HE1 4.00 (# 17:10 Unique 2.72, 4.74 A)
&rst
ixpk= 17, nxpk= 10, iat= -1, 300, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1482,1483,1484,1486,1487,1488,
&end
#
# 21 TRP HZ2 21 TRP HE1 4.00 (# 18:10 Unique 2.85, 2.85 A)
&rst
ixpk= 18, nxpk= 10, iat= 303, 300, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:20 21 TRP HE1 6.00 (# 20:10 Single Ambig)
&rst
ixpk= 20, nxpk= 10, iat= -1, 300, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1503,1504,1545,
&end
#
# 96 LEU HB+ 21 TRP HE1 5.00 (# 21:10 Unique 2.55, 3.12 A)
&rst
ixpk= 21, nxpk= 10, iat= -1, 300, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1477,1478,
&end
#
# 102 GLU HG+ 21 TRP HE1 4.00 (# 22:10 Unique 2.59, 3.11 A)
&rst
ixpk= 22, nxpk= 10, iat= -1, 300, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1569,1570,
&end
#
# 0 AMB 10-2:23 21 TRP HE1 6.00 (# 23:10 Single Ambig)
&rst
ixpk= 23, nxpk= 10, iat= -1, 300, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 368, 369, 370, 358, 359, 360,
&end
#
# 102 GLU HB+ 21 TRP HE1 6.00 (# 24:10 Unique 3.41, 3.96 A)
&rst
ixpk= 24, nxpk= 10, iat= -1, 300, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1566,1567,
&end
#
# 32 TRP HN 32 TRP HE1 6.00 (# 25:10 Unique 4.86, 4.86 A)
&rst
ixpk= 25, nxpk= 10, iat= 466, 476, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 32 TRP HH2 32 TRP HE1 6.00 (# 26:10 Unique 5.10, 5.10 A)
&rst
ixpk= 26, nxpk= 10, iat= 481, 476, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 32 TRP HD1 32 TRP HE1 3.00 (# 28:10 Unique 2.67, 2.67 A)
&rst
ixpk= 28, nxpk= 10, iat= 474, 476, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 32 TRP HZ2 32 TRP HE1 4.00 (# 29:10 Unique 2.83, 2.83 A)
&rst
ixpk= 29, nxpk= 10, iat= 479, 476, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 33 PHE HE 32 TRP HE1 6.00 (# 30:10 Unique 4.31, 6.01 A)
&rst
ixpk= 30, nxpk= 10, iat= -1, 476, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 500, 504,
&end
#
# 30 ASP HA 32 TRP HE1 6.00 (# 31:10 Preassigned 5.81, 5.81 A)
&rst
ixpk= 31, nxpk= 10, iat= 432, 476, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 95 ILE HA 32 TRP HE1 5.00 (# 32:10 Unique 2.79, 2.79 A)
&rst
ixpk= 32, nxpk= 10, iat=1456, 476, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 90 MET ME 32 TRP HE1 6.00 (# 33:10 Preassigned 5.34, 6.29 A)
&rst
ixpk= 33, nxpk= 10, iat= -1, 476, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1389,1390,1391,
&end
#
# 95 ILE HG1+ 32 TRP HE1 4.00 (# 34:10 Unique 2.04, 2.49 A)
&rst
ixpk= 34, nxpk= 10, iat= -1, 476, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1464,1465,
&end
#
# 93 ARG HB- 32 TRP HE1 5.00 (# 35:10 Unique 3.77, 4.48 A)
&rst
ixpk= 35, nxpk= 10, iat= -1, 476, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1420,1421,
&end
#
# 95 ILE HG1- 32 TRP HE1 4.00 (# 36:10 Unique 2.04, 2.49 A)
&rst
ixpk= 36, nxpk= 10, iat= -1, 476, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1464,1465,
&end
#
# 95 ILE QD1 32 TRP HE1 6.00 (# 37:10 Unique 3.98, 4.44 A)
&rst
ixpk= 37, nxpk= 10, iat= -1, 476, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1467,1468,1469,
&end
#
# 95 ILE QG2 32 TRP HE1 6.00 (# 38:10 Unique 3.83, 4.64 A)
&rst
ixpk= 38, nxpk= 10, iat= -1, 476, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1460,1461,1462,
&end
#
# 97 GLY HN 96 LEU HN 5.00 (# 40:10 Unique 2.79, 2.79 A)
&rst
ixpk= 40, nxpk= 10, iat=1492,1473, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 95 ILE HA 96 LEU HN 4.00 (# 41:10 Unique 2.15, 2.15 A)
&rst
ixpk= 41, nxpk= 10, iat=1456,1473, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 96 LEU HA 96 LEU HN 3.00 (# 42:10 Unique 2.33, 2.33 A)
&rst
ixpk= 42, nxpk= 10, iat=1475,1473, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 30 ASP HB+ 96 LEU HN 6.00 (# 43:10 Unique 3.56, 3.85 A)
&rst
ixpk= 43, nxpk= 10, iat= -1,1473, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 434, 435,
&end
#
# 0 AMB 10-2:44 96 LEU HN 5.00 (# 44:10 Single Ambig)
&rst
ixpk= 44, nxpk= 10, iat= -1,1473, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1477,1478,1464,1465,
&end
#
# 0 AMB 10-2:45 96 LEU HN 5.00 (# 45:10 Single Ambig)
&rst
ixpk= 45, nxpk= 10, iat= -1,1473, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1477,1478,1458,
&end
#
# 0 AMB 10-2:46 96 LEU HN 4.00 (# 46:10 Single Ambig)
&rst
ixpk= 46, nxpk= 10, iat= -1,1473, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1480, 368, 369, 370,
&end
#
# 0 AMB 10-2:47 96 LEU HN 4.00 (# 47:10 Single Ambig)
&rst
ixpk= 47, nxpk= 10, iat= -1,1473, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1482,1483,1484,1486,1487,1488,1464,1465,
&end
#
# 96 LEU MDX 96 LEU HN 6.00 (# 48:10 Unique 3.55, 4.77 A)
&rst
ixpk= 48, nxpk= 10, iat= -1,1473, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1482,1483,1484,1486,1487,1488,
&end
#
# 95 ILE QG2 96 LEU HN 4.00 (# 49:10 Unique 3.12, 3.62 A)
&rst
ixpk= 49, nxpk= 10, iat= -1,1473, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1460,1461,1462,
&end
#
# 30 ASP HB- 96 LEU HN 6.00 (# 50:10 Unique 3.56, 3.85 A)
&rst
ixpk= 50, nxpk= 10, iat= -1,1473, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 434, 435,
&end
#
# 13 THR HN 14 ILE HN 6.00 (# 51:10 Unique 4.61, 4.61 A)
&rst
ixpk= 51, nxpk= 10, iat= 165, 179, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 13 THR HA 14 ILE HN 3.00 (# 53:10 Unique 2.22, 2.22 A)
&rst
ixpk= 53, nxpk= 10, iat= 167, 179, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 14 ILE HA 14 ILE HN 4.00 (# 54:10 Unique 2.92, 2.92 A)
&rst
ixpk= 54, nxpk= 10, iat= 181, 179, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 103 ASP HB+ 14 ILE HN 5.00 (# 55:10 Unique 3.22, 3.61 A)
&rst
ixpk= 55, nxpk= 10, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1581,1582,
&end
#
# 13 THR HB 14 ILE HN 6.00 (# 56:10 Unique 4.09, 4.09 A)
&rst
ixpk= 56, nxpk= 10, iat= 169, 179, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 14 ILE HB 14 ILE HN 4.00 (# 57:10 Unique 2.50, 2.50 A)
&rst
ixpk= 57, nxpk= 10, iat= 183, 179, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 14 ILE HG1- 14 ILE HN 4.00 (# 58:10 Unique 2.16, 2.78 A)
&rst
ixpk= 58, nxpk= 10, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 189, 190,
&end
#
# 0 AMB 10-2:59 14 ILE HN 5.00 (# 59:10 Single Ambig)
&rst
ixpk= 59, nxpk= 10, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 251, 252, 253, 255, 256, 257, 216, 217,
&end
#
# 0 AMB 10-2:60 14 ILE HN 4.00 (# 60:10 Single Ambig)
&rst
ixpk= 60, nxpk= 10, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 185, 186, 187, 251, 252, 253, 255, 256, 257,
&end
#
# 13 THR MG2 14 ILE HN 5.00 (# 61:10 Unique 2.82, 3.43 A)
&rst
ixpk= 61, nxpk= 10, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 171, 172, 173,
&end
#
# 119 PHE HD 120 GLN HN 6.00 (# 62:10 Unique 3.56, 3.76 A)
&rst
ixpk= 62, nxpk= 10, iat= -1,1836, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1824,1832,
&end
#
# 119 PHE HB+ 120 GLN HN 5.00 (# 63:10 Unique 3.96, 4.01 A)
&rst
ixpk= 63, nxpk= 10, iat= -1,1836, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1820,1821,
&end
#
# 120 GLN HG+ 120 GLN HN 5.00 (# 64:10 Unique 3.38, 3.82 A)
&rst
ixpk= 64, nxpk= 10, iat= -1,1836, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1843,1844,
&end
#
# 120 GLN HB- 120 GLN HN 6.00 (# 65:10 Unique 2.77, 3.32 A)
&rst
ixpk= 65, nxpk= 10, iat= -1,1836, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1840,1841,
&end
#
# 120 GLN HB+ 120 GLN HN 5.00 (# 66:10 Unique 2.77, 3.32 A)
&rst
ixpk= 66, nxpk= 10, iat= -1,1836, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1840,1841,
&end
#
# 119 PHE HN 120 GLN HN 5.00 (# 67:10 Unique 4.35, 4.35 A)
&rst
ixpk= 67, nxpk= 10, iat=1816,1836, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 119 PHE HA 120 GLN HN 4.00 (# 68:10 Unique 2.27, 2.27 A)
&rst
ixpk= 68, nxpk= 10, iat=1818,1836, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 120 GLN HA 120 GLN HN 5.00 (# 69:10 Unique 2.97, 2.97 A)
&rst
ixpk= 69, nxpk= 10, iat=1838,1836, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 119 PHE HB- 120 GLN HN 6.00 (# 70:10 Unique 3.96, 4.01 A)
&rst
ixpk= 70, nxpk= 10, iat= -1,1836, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1820,1821,
&end
#
# 118 THR MG2 120 GLN HN 6.00 (# 71:10 Unique 7.72, 8.22 A)
&rst
ixpk= 71, nxpk= 10, iat= -1,1836, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1808,1809,1810,
&end
#
# 26 VAL MGX 30 ASP HN 6.00 (# 73:10 Preassigned 5.58, 6.15 A)
&rst
ixpk= 73, nxpk= 10, iat= -1, 430, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 380, 381, 382, 384, 385, 386,
&end
#
# 29 GLY HN 30 ASP HN 3.00 (# 74:10 Unique 1.80, 1.80 A)
&rst
ixpk= 74, nxpk= 10, iat= 423, 430, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 30 ASP HA 30 ASP HN 4.00 (# 75:10 Unique 3.01, 3.01 A)
&rst
ixpk= 75, nxpk= 10, iat= 432, 430, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 28 ASN HA 30 ASP HN 6.00 (# 76:10 Unique 5.21, 5.21 A)
&rst
ixpk= 76, nxpk= 10, iat= 411, 430, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 25 ALA HA 30 ASP HN 5.00 (# 77:10 Unique 3.94, 3.94 A)
&rst
ixpk= 77, nxpk= 10, iat= 366, 430, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 26 VAL MGY 30 ASP HN 6.00 (# 78:10 Unique 5.58, 6.15 A)
&rst
ixpk= 78, nxpk= 10, iat= -1, 430, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 380, 381, 382, 384, 385, 386,
&end
#
# 29 GLY HA+ 30 ASP HN 5.00 (# 79:10 Unique 2.98, 3.24 A)
&rst
ixpk= 79, nxpk= 10, iat= -1, 430, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 425, 426,
&end
#
# 29 GLY HA- 30 ASP HN 4.00 (# 80:10 Unique 2.98, 3.24 A)
&rst
ixpk= 80, nxpk= 10, iat= -1, 430, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 425, 426,
&end
#
# 30 ASP HB+ 30 ASP HN 4.00 (# 81:10 Unique 2.74, 2.84 A)
&rst
ixpk= 81, nxpk= 10, iat= -1, 430, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 434, 435,
&end
#
# 30 ASP HB- 30 ASP HN 4.00 (# 82:10 Unique 2.74, 2.84 A)
&rst
ixpk= 82, nxpk= 10, iat= -1, 430, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 434, 435,
&end
#
# 0 AMB 10-2:83 30 ASP HN 5.00 (# 83:10 Single Ambig)
&rst
ixpk= 83, nxpk= 10, iat= -1, 430, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 368, 369, 370,1480,
&end
#
# 0 AMB 10-2:84 30 ASP HN 6.00 (# 84:10 Single Ambig)
&rst
ixpk= 84, nxpk= 10, iat= -1, 430, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1482,1483,1484,1486,1487,1488,1464,1465,
&end
#
# 0 AMB 10-2:90 7 ALA HN 4.00 (# 90:10 Single Ambig)
&rst
ixpk= 90, nxpk= 10, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 83, 100,
&end
#
# 7 ALA MB 7 ALA HN 4.00 (# 91:10 Unique 2.47, 2.88 A)
&rst
ixpk= 91, nxpk= 10, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 102, 103, 104,
&end
#
# 6 GLN HB+ 7 ALA HN 6.00 (# 92:10 Unique 2.48, 3.16 A)
&rst
ixpk= 92, nxpk= 10, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 85, 86,
&end
#
# 23 TYR HH 75 VAL HN 6.00 (# 93:10 Unique 3.44, 3.44 A)
&rst
ixpk= 93, nxpk= 10, iat= 346,1151, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 74 ALA HA 75 VAL HN 3.00 (# 95:10 Unique 2.28, 2.28 A)
&rst
ixpk= 95, nxpk= 10, iat=1143,1151, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 75 VAL HB 75 VAL HN 3.00 (# 96:10 Unique 2.52, 2.52 A)
&rst
ixpk= 96, nxpk= 10, iat=1155,1151, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 74 ALA MB 75 VAL HN 3.00 (# 97:10 Unique 2.75, 3.53 A)
&rst
ixpk= 97, nxpk= 10, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1145,1146,1147,
&end
#
# 75 VAL MGY 75 VAL HN 3.00 (# 98:10 Unique 2.00, 3.72 A)
&rst
ixpk= 98, nxpk= 10, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1157,1158,1159,1161,1162,1163,
&end
#
# 75 VAL MGX 75 VAL HN 4.00 (# 99:10 Unique 2.00, 3.72 A)
&rst
ixpk= 99, nxpk= 10, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1157,1158,1159,1161,1162,1163,
&end
#
# 0 AMB 10-2:100 75 VAL HN 6.00 (# 100:10 Single Ambig)
&rst
ixpk= 100, nxpk= 10, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1176,1177,1178,1180,1181,1182, 638, 639, 640, 642,
643, 644,
&end
#
# 0 AMB 10-2:101 78 MET HN 6.00 (# 101:10 Single Ambig)
&rst
ixpk= 101, nxpk= 10, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1167,1151,
&end
#
# 79 CYS HN 78 MET HN 4.00 (# 102:10 Unique 2.81, 2.81 A)
&rst
ixpk= 102, nxpk= 10, iat=1215,1198, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:103 78 MET HN 6.00 (# 103:10 Single Ambig)
&rst
ixpk= 103, nxpk= 10, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1226, 538, 539,
&end
#
# 77 ASP HN 78 MET HN 3.00 (# 105:10 Unique 2.71, 2.71 A)
&rst
ixpk= 105, nxpk= 10, iat=1186,1198, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:106 78 MET HN 5.00 (# 106:10 Single Ambig)
&rst
ixpk= 106, nxpk= 10, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1188, 589,
&end
#
# 78 MET HA 78 MET HN 4.00 (# 107:10 Unique 2.86, 2.86 A)
&rst
ixpk= 107, nxpk= 10, iat=1200,1198, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 75 VAL HA 78 MET HN 4.00 (# 108:10 Unique 3.09, 3.09 A)
&rst
ixpk= 108, nxpk= 10, iat=1153,1198, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 76 LEU HA 78 MET HN 5.00 (# 109:10 Unique 4.72, 4.72 A)
&rst
ixpk= 109, nxpk= 10, iat=1169,1198, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 77 ASP HB+ 78 MET HN 4.00 (# 110:10 Unique 2.41, 3.16 A)
&rst
ixpk= 110, nxpk= 10, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1190,1191,
&end
#
# 77 ASP HB- 78 MET HN 4.00 (# 111:10 Unique 2.41, 3.16 A)
&rst
ixpk= 111, nxpk= 10, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1190,1191,
&end
#
# 78 MET HB+ 78 MET HN 3.00 (# 112:10 Unique 2.41, 2.53 A)
&rst
ixpk= 112, nxpk= 10, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1202,1203,
&end
#
# 0 AMB 10-2:113 78 MET HN 5.00 (# 113:10 Single Ambig)
&rst
ixpk= 113, nxpk= 10, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1205,1206,1219,1220,
&end
#
# 78 MET HB- 78 MET HN 3.00 (# 114:10 Unique 2.41, 2.53 A)
&rst
ixpk= 114, nxpk= 10, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1202,1203,
&end
#
# 75 VAL MGY 78 MET HN 6.00 (# 115:10 Unique 5.14, 5.86 A)
&rst
ixpk= 115, nxpk= 10, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1157,1158,1159,1161,1162,1163,
&end
#
# 0 AMB 10-2:116 78 MET HN 5.00 (# 116:10 Single Ambig)
&rst
ixpk= 116, nxpk= 10, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1128,1129,1130,1157,1158,1159,1161,1162,1163,
&end
#
# 0 AMB 10-2:117 78 MET HN 5.00 (# 117:10 Single Ambig)
&rst
ixpk= 117, nxpk= 10, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 7.67, r4= 8.17,
igr1= 270, 271, 272, 274, 275, 276, 270, 271, 272, 274,
275, 276, 517,
&end
#
# 57 THR HN 56 LEU HN 6.00 (# 118:10 Unique 4.68, 4.68 A)
&rst
ixpk= 118, nxpk= 10, iat= 896, 877, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 45 ASN HD2+ 56 LEU HN 4.00 (# 119:10 Unique 2.76, 3.35 A)
&rst
ixpk= 119, nxpk= 10, iat= -1, 877, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 703, 704,
&end
#
# 45 ASN HD2- 56 LEU HN 4.00 (# 120:10 Unique 2.76, 3.35 A)
&rst
ixpk= 120, nxpk= 10, iat= -1, 877, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 703, 704,
&end
#
# 44 PHE HD 56 LEU HN 5.00 (# 121:10 Unique 3.90, 5.86 A)
&rst
ixpk= 121, nxpk= 10, iat= -1, 877, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 682, 690,
&end
#
# 56 LEU HA 56 LEU HN 4.00 (# 122:10 Unique 2.91, 2.91 A)
&rst
ixpk= 122, nxpk= 10, iat= 879, 877, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 55 PRO HA 56 LEU HN 3.00 (# 123:10 Unique 2.14, 2.14 A)
&rst
ixpk= 123, nxpk= 10, iat= 873, 877, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:124 56 LEU HN 3.00 (# 124:10 Single Ambig)
&rst
ixpk= 124, nxpk= 10, iat= -1, 877, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 881, 882, 870, 871,
&end
#
# 56 LEU HB- 56 LEU HN 3.00 (# 125:10 Unique 2.24, 2.48 A)
&rst
ixpk= 125, nxpk= 10, iat= -1, 877, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 881, 882,
&end
#
# 56 LEU HG 56 LEU HN 5.00 (# 126:10 Unique 4.48, 4.48 A)
&rst
ixpk= 126, nxpk= 10, iat= 884, 877, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 74 ALA HN 75 VAL HN 6.00 (# 127:10 Unique 4.68, 4.68 A)
&rst
ixpk= 127, nxpk= 10, iat=1141,1151, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 68 SER HB+ 75 VAL HN 4.00 (# 128:10 Unique 3.40, 3.98 A)
&rst
ixpk= 128, nxpk= 10, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1067,1068,
&end
#
# 0 AMB 10-2:129 75 VAL HN 5.00 (# 129:10 Single Ambig)
&rst
ixpk= 129, nxpk= 10, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1171,1172,1174,
&end
#
# 45 ASN HA 56 LEU HN 5.00 (# 130:10 Unique 3.79, 3.79 A)
&rst
ixpk= 130, nxpk= 10, iat= 696, 877, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:131 56 LEU HN 6.00 (# 131:10 Single Ambig)
&rst
ixpk= 131, nxpk= 10, iat= -1, 877, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 698, 699, 943, 944,
&end
#
# 0 AMB 10-2:132 56 LEU HN 6.00 (# 132:10 Single Ambig)
&rst
ixpk= 132, nxpk= 10, iat= -1, 877, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 698, 699, 760, 761,
&end
#
# 0 AMB 10-2:133 56 LEU HN 4.00 (# 133:10 Single Ambig)
&rst
ixpk= 133, nxpk= 10, iat= -1, 877, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 870, 871, 867, 868, 852, 853,
&end
#
# 15 THR MG2 56 LEU HN 6.00 (# 134:10 Unique 3.57, 4.62 A)
&rst
ixpk= 134, nxpk= 10, iat= -1, 877, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 204, 205, 206,
&end
#
# 48 ALA MB 56 LEU HN 5.00 (# 135:10 Preassigned 4.77, 5.33 A)
&rst
ixpk= 135, nxpk= 10, iat= -1, 877, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 747, 748, 749,
&end
#
# 56 LEU MDX 56 LEU HN 5.00 (# 136:10 Unique 4.30, 5.02 A)
&rst
ixpk= 136, nxpk= 10, iat= -1, 877, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 886, 887, 888, 890, 891, 892,
&end
#
# 27 ILE HA 27 ILE HN 3.00 (# 137:10 Unique 2.92, 2.92 A)
&rst
ixpk= 137, nxpk= 10, iat= 392, 390, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 26 VAL HB 27 ILE HN 4.00 (# 138:10 Unique 2.61, 2.61 A)
&rst
ixpk= 138, nxpk= 10, iat= 378, 390, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 27 ILE HB 27 ILE HN 3.00 (# 139:10 Unique 2.13, 2.13 A)
&rst
ixpk= 139, nxpk= 10, iat= 394, 390, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 27 ILE HG1- 27 ILE HN 3.00 (# 140:10 Unique 2.38, 3.07 A)
&rst
ixpk= 140, nxpk= 10, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 400, 401,
&end
#
# 26 VAL MGY 27 ILE HN 4.00 (# 141:10 Unique 3.57, 4.54 A)
&rst
ixpk= 141, nxpk= 10, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 380, 381, 382, 384, 385, 386,
&end
#
# 0 AMB 10-2:142 27 ILE HN 3.00 (# 142:10 Single Ambig)
&rst
ixpk= 142, nxpk= 10, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 400, 401, 380, 381, 382, 384, 385, 386,
&end
#
# 27 ILE QD1 27 ILE HN 4.00 (# 143:10 Unique 3.55, 4.21 A)
&rst
ixpk= 143, nxpk= 10, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 403, 404, 405,
&end
#
# 26 VAL HN 27 ILE HN 3.00 (# 144:10 Unique 2.89, 2.89 A)
&rst
ixpk= 144, nxpk= 10, iat= 374, 390, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 42 ASN HN 41 LEU HN 5.00 (# 145:10 Unique 2.90, 2.90 A)
&rst
ixpk= 145, nxpk= 10, iat= 648, 629, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 40 THR HA 41 LEU HN 3.00 (# 146:10 Unique 2.23, 2.23 A)
&rst
ixpk= 146, nxpk= 10, iat= 617, 629, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 40 THR HB 41 LEU HN 3.00 (# 147:10 Unique 3.34, 3.34 A)
&rst
ixpk= 147, nxpk= 10, iat= 619, 629, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 41 LEU HA 41 LEU HN 4.00 (# 148:10 Unique 2.83, 2.83 A)
&rst
ixpk= 148, nxpk= 10, iat= 631, 629, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 41 LEU HB+ 41 LEU HN 3.00 (# 149:10 Unique 2.05, 2.70 A)
&rst
ixpk= 149, nxpk= 10, iat= -1, 629, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 633, 634,
&end
#
# 40 THR MG2 41 LEU HN 4.00 (# 150:10 Unique 2.53, 3.46 A)
&rst
ixpk= 150, nxpk= 10, iat= -1, 629, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 621, 622, 623,
&end
#
# 76 LEU MDX 41 LEU HN 6.00 (# 151:10 Unique 2.80, 4.25 A)
&rst
ixpk= 151, nxpk= 10, iat= -1, 629, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1176,1177,1178,1180,1181,1182,
&end
#
# 0 AMB 10-2:152 41 LEU HN 4.00 (# 152:10 Single Ambig)
&rst
ixpk= 152, nxpk= 10, iat= -1, 629, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1176,1177,1178,1180,1181,1182, 638, 639, 640, 642,
643, 644,
&end
#
# 0 AMB 10-2:153 41 LEU HN 6.00 (# 153:10 Single Ambig)
&rst
ixpk= 153, nxpk= 10, iat= -1, 629, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 652, 653, 666, 667,
&end
#
# 26 VAL HN 25 ALA HN 4.00 (# 154:10 Unique 2.83, 2.83 A)
&rst
ixpk= 154, nxpk= 10, iat= 374, 364, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:156 25 ALA HN 6.00 (# 156:10 Single Ambig)
&rst
ixpk= 156, nxpk= 10, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 413, 414, 337, 338,
&end
#
# 68 SER HN 69 ALA HN 4.00 (# 157:10 Unique 2.88, 2.88 A)
&rst
ixpk= 157, nxpk= 10, iat=1063,1074, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 70 GLN HN 69 ALA HN 3.00 (# 158:10 Unique 2.77, 2.77 A)
&rst
ixpk= 158, nxpk= 10, iat=1084,1074, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 67 LEU HN 69 ALA HN 5.00 (# 159:10 Unique 3.92, 3.92 A)
&rst
ixpk= 159, nxpk= 10, iat=1044,1074, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:160 69 ALA HN 3.00 (# 160:10 Single Ambig)
&rst
ixpk= 160, nxpk= 10, iat= -1,1074, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1076,1025,1026,
&end
#
# 68 SER HB+ 69 ALA HN 4.00 (# 161:10 Unique 2.55, 3.17 A)
&rst
ixpk= 161, nxpk= 10, iat= -1,1074, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1067,1068,
&end
#
# 21 TRP HD1 25 ALA HN 6.00 (# 163:10 Unique 5.49, 5.49 A)
&rst
ixpk= 163, nxpk= 10, iat= 298, 364, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 25 ALA HA 25 ALA HN 3.00 (# 164:10 Unique 2.85, 2.85 A)
&rst
ixpk= 164, nxpk= 10, iat= 366, 364, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 23 TYR HB+ 25 ALA HN 6.00 (# 165:10 Unique 5.26, 5.36 A)
&rst
ixpk= 165, nxpk= 10, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 337, 338,
&end
#
# 96 LEU MDX 25 ALA HN 4.00 (# 166:10 Unique 2.93, 4.46 A)
&rst
ixpk= 166, nxpk= 10, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1482,1483,1484,1486,1487,1488,
&end
#
# 95 ILE QG2 25 ALA HN 6.00 (# 167:10 Unique 4.75, 4.89 A)
&rst
ixpk= 167, nxpk= 10, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1460,1461,1462,
&end
#
# 0 AMB 10-2:169 8 ALA HN 3.00 (# 169:10 Single Ambig)
&rst
ixpk= 169, nxpk= 10, iat= -1, 108, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 102, 103, 104, 112, 113, 114,
&end
#
# 65 GLY HN 63 ILE HN 5.00 (# 171:10 Preassigned 4.01, 4.01 A)
&rst
ixpk= 171, nxpk= 10, iat=1023, 985, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 64 LEU HN 63 ILE HN 4.00 (# 173:10 Unique 2.83, 2.83 A)
&rst
ixpk= 173, nxpk= 10, iat=1004, 985, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:174 63 ILE HN 4.00 (# 174:10 Single Ambig)
&rst
ixpk= 174, nxpk= 10, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 975, 929,
&end
#
# 0 AMB 10-2:175 63 ILE HN 6.00 (# 175:10 Single Ambig)
&rst
ixpk= 175, nxpk= 10, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1006,1025,1026,
&end
#
# 63 ILE HA 63 ILE HN 3.00 (# 176:10 Unique 2.87, 2.87 A)
&rst
ixpk= 176, nxpk= 10, iat= 987, 985, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 62 ASP HB+ 63 ILE HN 4.00 (# 177:10 Unique 2.81, 3.44 A)
&rst
ixpk= 177, nxpk= 10, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 977, 978,
&end
#
# 62 ASP HB- 63 ILE HN 4.00 (# 178:10 Unique 2.81, 3.44 A)
&rst
ixpk= 178, nxpk= 10, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 977, 978,
&end
#
# 0 AMB 10-2:179 63 ILE HN 6.00 (# 179:10 Single Ambig)
&rst
ixpk= 179, nxpk= 10, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 961, 917, 918,
&end
#
# 59 ASP HB- 63 ILE HN 6.00 (# 180:10 Unique 6.10, 6.28 A)
&rst
ixpk= 180, nxpk= 10, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 931, 932,
&end
#
# 63 ILE HB 63 ILE HN 3.00 (# 181:10 Unique 2.54, 2.54 A)
&rst
ixpk= 181, nxpk= 10, iat= 989, 985, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 63 ILE HG1- 63 ILE HN 3.00 (# 182:10 Unique 2.09, 2.83 A)
&rst
ixpk= 182, nxpk= 10, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 995, 996,
&end
#
# 64 LEU HB- 63 ILE HN 6.00 (# 183:10 Unique 4.99, 5.71 A)
&rst
ixpk= 183, nxpk= 10, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1008,1009,
&end
#
# 63 ILE HG1+ 63 ILE HN 4.00 (# 184:10 Unique 2.09, 2.83 A)
&rst
ixpk= 184, nxpk= 10, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 995, 996,
&end
#
# 0 AMB 10-2:185 63 ILE HN 3.00 (# 185:10 Single Ambig)
&rst
ixpk= 185, nxpk= 10, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 998, 999,1000, 221, 222, 223, 225, 226, 227, 991,
992, 993, 963, 964, 965, 967, 968, 969, 963, 964,
965, 967, 968, 969,
&end
#
# 61 VAL HA 63 ILE HN 6.00 (# 187:10 Unique 4.50, 4.50 A)
&rst
ixpk= 187, nxpk= 10, iat= 959, 985, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 83 LYS HN 80 ALA HN 6.00 (# 188:10 Unique 4.65, 4.65 A)
&rst
ixpk= 188, nxpk= 10, iat=1265,1226, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 16 LEU HN 18 VAL HN 6.00 (# 189:10 Unique 4.58, 4.58 A)
&rst
ixpk= 189, nxpk= 10, iat= 212, 245, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 19 LEU HN 18 VAL HN 4.00 (# 190:10 Unique 2.73, 2.73 A)
&rst
ixpk= 190, nxpk= 10, iat= 261, 245, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 20 ALA HN 18 VAL HN 5.00 (# 191:10 Unique 4.19, 4.19 A)
&rst
ixpk= 191, nxpk= 10, iat= 280, 245, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 17 ASN HD2+ 18 VAL HN 6.00 (# 193:10 Unique 5.50, 5.98 A)
&rst
ixpk= 193, nxpk= 10, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 240, 241,
&end
#
# 17 ASN HN 18 VAL HN 4.00 (# 194:10 Unique 2.57, 2.57 A)
&rst
ixpk= 194, nxpk= 10, iat= 231, 245, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 17 ASN HA 18 VAL HN 4.00 (# 195:10 Unique 3.64, 3.64 A)
&rst
ixpk= 195, nxpk= 10, iat= 233, 245, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 18 VAL HA 18 VAL HN 4.00 (# 196:10 Unique 2.86, 2.86 A)
&rst
ixpk= 196, nxpk= 10, iat= 247, 245, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 21 TRP HB+ 18 VAL HN 5.00 (# 197:10 Unique 4.89, 5.32 A)
&rst
ixpk= 197, nxpk= 10, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 294, 295,
&end
#
# 0 AMB 10-2:198 18 VAL HN 5.00 (# 198:10 Single Ambig)
&rst
ixpk= 198, nxpk= 10, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 200, 294, 295,
&end
#
# 103 ASP HB+ 18 VAL HN 5.00 (# 199:10 Unique 3.26, 3.76 A)
&rst
ixpk= 199, nxpk= 10, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1581,1582,
&end
#
# 0 AMB 10-2:200 18 VAL HN 4.00 (# 200:10 Single Ambig)
&rst
ixpk= 200, nxpk= 10, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 235, 236, 235, 236,
&end
#
# 18 VAL HB 18 VAL HN 3.00 (# 201:10 Unique 2.81, 2.81 A)
&rst
ixpk= 201, nxpk= 10, iat= 249, 245, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:202 18 VAL HN 5.00 (# 202:10 Single Ambig)
&rst
ixpk= 202, nxpk= 10, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 183, 321,1250,1251,
&end
#
# 19 LEU HG 18 VAL HN 5.00 (# 203:10 Unique 4.66, 4.66 A)
&rst
ixpk= 203, nxpk= 10, iat= 268, 245, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 20 ALA MB 18 VAL HN 5.00 (# 204:10 Preassigned 5.12, 5.97 A)
&rst
ixpk= 204, nxpk= 10, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 284, 285, 286,
&end
#
# 18 VAL MGY 18 VAL HN 4.00 (# 205:10 Unique 1.90, 3.67 A)
&rst
ixpk= 205, nxpk= 10, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 251, 252, 253, 255, 256, 257,
&end
#
# 18 VAL MGX 18 VAL HN 4.00 (# 206:10 Unique 1.90, 3.67 A)
&rst
ixpk= 206, nxpk= 10, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 251, 252, 253, 255, 256, 257,
&end
#
# 0 AMB 10-2:207 18 VAL HN 5.00 (# 207:10 Single Ambig)
&rst
ixpk= 207, nxpk= 10, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 270, 271, 272, 274, 275, 276, 270, 271, 272, 274,
275, 276,
&end
#
# 53 TYR HE 18 VAL HN 6.00 (# 208:10 Unique 4.47, 6.58 A)
&rst
ixpk= 208, nxpk= 10, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 837, 842,
&end
#
# 118 THR HB 119 PHE HN 5.00 (# 209:10 Unique 2.57, 2.57 A)
&rst
ixpk= 209, nxpk= 10, iat=1806,1816, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 119 PHE HB+ 119 PHE HN 5.00 (# 210:10 Unique 2.66, 3.02 A)
&rst
ixpk= 210, nxpk= 10, iat= -1,1816, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1820,1821,
&end
#
# 119 PHE HB- 119 PHE HN 4.00 (# 211:10 Unique 2.66, 3.02 A)
&rst
ixpk= 211, nxpk= 10, iat= -1,1816, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1820,1821,
&end
#
# 118 THR MG2 119 PHE HN 5.00 (# 212:10 Unique 3.51, 4.22 A)
&rst
ixpk= 212, nxpk= 10, iat= -1,1816, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1808,1809,1810,
&end
#
# 0 AMB 10-2:213 0 AMB 10-1:213 3.00 (# 213:10 Double Ambig)
&rst
ixpk= 213, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 100,1804, 110,
igr2= 108,1816,
&end
#
# 79 CYS HN 80 ALA HN 4.00 (# 214:10 Unique 2.85, 2.85 A)
&rst
ixpk= 214, nxpk= 10, iat=1215,1226, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 82 LEU HN 80 ALA HN 5.00 (# 215:10 Unique 4.46, 4.46 A)
&rst
ixpk= 215, nxpk= 10, iat=1246,1226, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 78 MET HN 80 ALA HN 5.00 (# 216:10 Unique 4.45, 4.45 A)
&rst
ixpk= 216, nxpk= 10, iat=1198,1226, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 81 ALA HN 80 ALA HN 3.00 (# 217:10 Unique 2.81, 2.81 A)
&rst
ixpk= 217, nxpk= 10, iat=1236,1226, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:218 80 ALA HN 6.00 (# 218:10 Single Ambig)
&rst
ixpk= 218, nxpk= 10, iat= -1,1226, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 682, 690,1287,
&end
#
# 0 AMB 10-2:219 80 ALA HN 4.00 (# 219:10 Single Ambig)
&rst
ixpk= 219, nxpk= 10, iat= -1,1226, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1188, 589,
&end
#
# 78 MET HA 80 ALA HN 5.00 (# 220:10 Unique 4.42, 4.42 A)
&rst
ixpk= 220, nxpk= 10, iat=1200,1226, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 80 ALA HA 80 ALA HN 3.00 (# 221:10 Unique 2.85, 2.85 A)
&rst
ixpk= 221, nxpk= 10, iat=1228,1226, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 79 CYS HA 80 ALA HN 5.00 (# 222:10 Unique 3.63, 3.63 A)
&rst
ixpk= 222, nxpk= 10, iat=1217,1226, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 79 CYS HB+ 80 ALA HN 4.00 (# 223:10 Unique 2.49, 2.94 A)
&rst
ixpk= 223, nxpk= 10, iat= -1,1226, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1219,1220,
&end
#
# 83 LYS HB+ 80 ALA HN 5.00 (# 224:10 Unique 4.95, 5.05 A)
&rst
ixpk= 224, nxpk= 10, iat= -1,1226, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1269,1270,
&end
#
# 79 CYS HB- 80 ALA HN 4.00 (# 225:10 Unique 2.49, 2.94 A)
&rst
ixpk= 225, nxpk= 10, iat= -1,1226, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1219,1220,
&end
#
# 80 ALA MB 80 ALA HN 3.00 (# 226:10 Unique 2.45, 2.83 A)
&rst
ixpk= 226, nxpk= 10, iat= -1,1226, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1230,1231,1232,
&end
#
# 39 THR MG2 80 ALA HN 4.00 (# 227:10 Unique 3.27, 4.28 A)
&rst
ixpk= 227, nxpk= 10, iat= -1,1226, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 607, 608, 609,
&end
#
# 0 AMB 10-2:229 80 ALA HN 5.00 (# 229:10 Single Ambig)
&rst
ixpk= 229, nxpk= 10, iat= -1,1226, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1=1176,1177,1178,1180,1181,1182, 517,
&end
#
# 120 GLN HN 119 PHE HN 5.00 (# 230:10 Unique 4.35, 4.35 A)
&rst
ixpk= 230, nxpk= 10, iat=1836,1816, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 119 PHE HD 119 PHE HN 6.00 (# 231:10 Unique 4.33, 4.85 A)
&rst
ixpk= 231, nxpk= 10, iat= -1,1816, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1824,1832,
&end
#
# 12 THR HN 11 ASP HN 5.00 (# 233:10 Unique 2.65, 2.65 A)
&rst
ixpk= 233, nxpk= 10, iat= 151, 139, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 10 THR HA 11 ASP HN 4.00 (# 234:10 Unique 2.38, 2.38 A)
&rst
ixpk= 234, nxpk= 10, iat= 127, 139, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 11 ASP HB- 11 ASP HN 4.00 (# 235:10 Unique 2.41, 2.49 A)
&rst
ixpk= 235, nxpk= 10, iat= -1, 139, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 143, 144,
&end
#
# 10 THR MG2 11 ASP HN 5.00 (# 236:10 Unique 2.14, 3.02 A)
&rst
ixpk= 236, nxpk= 10, iat= -1, 139, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 131, 132, 133,
&end
#
# 14 ILE HN 13 THR HN 6.00 (# 237:10 Unique 4.61, 4.61 A)
&rst
ixpk= 237, nxpk= 10, iat= 179, 165, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 54 GLU HN 13 THR HN 5.00 (# 238:10 Unique 4.17, 4.17 A)
&rst
ixpk= 238, nxpk= 10, iat= 848, 165, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:239 13 THR HN 5.00 (# 239:10 Single Ambig)
&rst
ixpk= 239, nxpk= 10, iat= -1, 165, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 151, 813,
&end
#
# 53 TYR HD 13 THR HN 6.00 (# 240:10 Unique 5.20, 5.25 A)
&rst
ixpk= 240, nxpk= 10, iat= -1, 165, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 835, 844,
&end
#
# 53 TYR HE 13 THR HN 6.00 (# 241:10 Unique 6.08, 6.20 A)
&rst
ixpk= 241, nxpk= 10, iat= -1, 165, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 837, 842,
&end
#
# 12 THR HA 13 THR HN 3.00 (# 242:10 Unique 2.19, 2.19 A)
&rst
ixpk= 242, nxpk= 10, iat= 153, 165, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 13 THR HA 13 THR HN 4.00 (# 243:10 Unique 2.88, 2.88 A)
&rst
ixpk= 243, nxpk= 10, iat= 167, 165, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 12 THR HB 13 THR HN 3.00 (# 244:10 Unique 3.26, 3.26 A)
&rst
ixpk= 244, nxpk= 10, iat= 155, 165, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 52 ASN HB+ 13 THR HN 6.00 (# 245:10 Unique 3.93, 4.60 A)
&rst
ixpk= 245, nxpk= 10, iat= -1, 165, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 817, 818,
&end
#
# 13 THR HB 13 THR HN 4.00 (# 246:10 Unique 2.60, 2.60 A)
&rst
ixpk= 246, nxpk= 10, iat= 169, 165, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 12 THR MG2 13 THR HN 4.00 (# 247:10 Unique 3.25, 4.10 A)
&rst
ixpk= 247, nxpk= 10, iat= -1, 165, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 157, 158, 159,
&end
#
# 13 THR MG2 13 THR HN 4.00 (# 248:10 Unique 4.42, 4.52 A)
&rst
ixpk= 248, nxpk= 10, iat= -1, 165, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 171, 172, 173,
&end
#
# 0 AMB 10-2:249 81 ALA HN 6.00 (# 249:10 Single Ambig)
&rst
ixpk= 249, nxpk= 10, iat= -1,1236, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 571, 572,1219,1220,
&end
#
# 79 CYS HA 81 ALA HN 6.00 (# 250:10 Unique 4.66, 4.66 A)
&rst
ixpk= 250, nxpk= 10, iat=1217,1236, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:251 81 ALA HN 6.00 (# 251:10 Single Ambig)
&rst
ixpk= 251, nxpk= 10, iat= -1,1236, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1269,1270,1202,1203,
&end
#
# 0 AMB 10-2:252 81 ALA HN 6.00 (# 252:10 Single Ambig)
&rst
ixpk= 252, nxpk= 10, iat= -1,1236, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1219,1220, 318, 319,
&end
#
# 82 LEU HB- 81 ALA HN 5.00 (# 253:10 Unique 4.98, 5.02 A)
&rst
ixpk= 253, nxpk= 10, iat= -1,1236, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1250,1251,
&end
#
# 21 TRP HA 24 ALA HN 4.00 (# 254:10 Unique 3.10, 3.10 A)
&rst
ixpk= 254, nxpk= 10, iat= 292, 354, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 23 TYR HA 24 ALA HN 4.00 (# 255:10 Preassigned 3.57, 3.57 A)
&rst
ixpk= 255, nxpk= 10, iat= 335, 354, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 24 ALA MB 24 ALA HN 3.00 (# 256:10 Unique 2.51, 2.88 A)
&rst
ixpk= 256, nxpk= 10, iat= -1, 354, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 358, 359, 360,
&end
#
# 0 AMB 10-2:257 24 ALA HN 5.00 (# 257:10 Single Ambig)
&rst
ixpk= 257, nxpk= 10, iat= -1, 354, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 403, 404, 405,1053,1054,1055,1057,1058,1059,
&end
#
# 23 TYR HB+ 24 ALA HN 4.00 (# 258:10 Unique 2.77, 3.11 A)
&rst
ixpk= 258, nxpk= 10, iat= -1, 354, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 337, 338,
&end
#
# 0 AMB 10-2:259 54 GLU HN 5.00 (# 259:10 Single Ambig)
&rst
ixpk= 259, nxpk= 10, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 165, 827,
&end
#
# 83 LYS HN 81 ALA HN 5.00 (# 260:10 Unique 4.22, 4.22 A)
&rst
ixpk= 260, nxpk= 10, iat=1265,1236, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 79 CYS HN 81 ALA HN 6.00 (# 261:10 Unique 4.20, 4.20 A)
&rst
ixpk= 261, nxpk= 10, iat=1215,1236, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 82 LEU HN 81 ALA HN 3.00 (# 262:10 Unique 2.91, 2.91 A)
&rst
ixpk= 262, nxpk= 10, iat=1246,1236, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:263 81 ALA HN 6.00 (# 263:10 Single Ambig)
&rst
ixpk= 263, nxpk= 10, iat= -1,1236, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 529, 601,
&end
#
# 0 AMB 10-2:264 81 ALA HN 3.00 (# 264:10 Single Ambig)
&rst
ixpk= 264, nxpk= 10, iat= -1,1236, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 538, 539,1226,
&end
#
# 0 AMB 10-2:265 81 ALA HN 5.00 (# 265:10 Single Ambig)
&rst
ixpk= 265, nxpk= 10, iat= -1,1236, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1=1287, 682, 690, 684, 688,
&end
#
# 0 AMB 10-2:266 81 ALA HN 6.00 (# 266:10 Single Ambig)
&rst
ixpk= 266, nxpk= 10, iat= -1,1236, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1188, 589,
&end
#
# 81 ALA HA 81 ALA HN 3.00 (# 267:10 Unique 2.83, 2.83 A)
&rst
ixpk= 267, nxpk= 10, iat=1238,1236, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:268 81 ALA HN 4.00 (# 268:10 Single Ambig)
&rst
ixpk= 268, nxpk= 10, iat= -1,1236, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1228,1248, 512,
&end
#
# 0 AMB 10-2:269 81 ALA HN 5.00 (# 269:10 Single Ambig)
&rst
ixpk= 269, nxpk= 10, iat= -1,1236, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1269,1270,1250,1251,1291,1292,
&end
#
# 81 ALA MB 81 ALA HN 3.00 (# 270:10 Unique 2.53, 2.89 A)
&rst
ixpk= 270, nxpk= 10, iat= -1,1236, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1240,1241,1242,
&end
#
# 0 AMB 10-2:271 81 ALA HN 5.00 (# 271:10 Single Ambig)
&rst
ixpk= 271, nxpk= 10, iat= -1,1236, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr1=1209,1210,1211,1253,1176,1177,1178,1180,1181,1182,
380, 381, 382, 384, 385, 386,
&end
#
# 0 AMB 10-2:272 81 ALA HN 5.00 (# 272:10 Single Ambig)
&rst
ixpk= 272, nxpk= 10, iat= -1,1236, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 519, 520, 521, 523, 524, 525, 323, 324, 325, 327,
328, 329,
&end
#
# 35 ASN HN 34 LEU HN 5.00 (# 273:10 Unique 4.62, 4.62 A)
&rst
ixpk= 273, nxpk= 10, iat= 529, 510, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 32 TRP HN 34 LEU HN 6.00 (# 274:10 Unique 2.71, 2.71 A)
&rst
ixpk= 274, nxpk= 10, iat= 466, 510, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 33 PHE HE 34 LEU HN 6.00 (# 275:10 Unique 4.49, 4.64 A)
&rst
ixpk= 275, nxpk= 10, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 500, 504,
&end
#
# 33 PHE HB+ 34 LEU HN 6.00 (# 276:10 Unique 3.97, 4.09 A)
&rst
ixpk= 276, nxpk= 10, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 494, 495,
&end
#
# 26 VAL MGY 34 LEU HN 6.00 (# 277:10 Unique 4.62, 6.26 A)
&rst
ixpk= 277, nxpk= 10, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 380, 381, 382, 384, 385, 386,
&end
#
# 24 ALA HA 24 ALA HN 4.00 (# 278:10 Unique 2.82, 2.82 A)
&rst
ixpk= 278, nxpk= 10, iat= 356, 354, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 23 TYR HB- 24 ALA HN 5.00 (# 279:10 Unique 2.77, 3.11 A)
&rst
ixpk= 279, nxpk= 10, iat= -1, 354, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 337, 338,
&end
#
# 53 TYR HD 54 GLU HN 5.00 (# 281:10 Unique 3.76, 4.73 A)
&rst
ixpk= 281, nxpk= 10, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 835, 844,
&end
#
# 53 TYR HA 54 GLU HN 4.00 (# 282:10 Unique 2.30, 2.30 A)
&rst
ixpk= 282, nxpk= 10, iat= 829, 848, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 54 GLU HA 54 GLU HN 4.00 (# 283:10 Unique 2.90, 2.90 A)
&rst
ixpk= 283, nxpk= 10, iat= 850, 848, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 15 THR HB 54 GLU HN 6.00 (# 284:10 Unique 4.24, 4.24 A)
&rst
ixpk= 284, nxpk= 10, iat= 202, 848, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:285 54 GLU HN 4.00 (# 285:10 Single Ambig)
&rst
ixpk= 285, nxpk= 10, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 155, 864, 865,
&end
#
# 15 THR HA 54 GLU HN 6.00 (# 286:10 Preassigned 4.72, 4.72 A)
&rst
ixpk= 286, nxpk= 10, iat= 200, 848, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 53 TYR HB+ 54 GLU HN 4.00 (# 287:10 Unique 2.81, 3.43 A)
&rst
ixpk= 287, nxpk= 10, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 831, 832,
&end
#
# 53 TYR HB- 54 GLU HN 5.00 (# 288:10 Unique 2.81, 3.43 A)
&rst
ixpk= 288, nxpk= 10, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 831, 832,
&end
#
# 54 GLU HG+ 54 GLU HN 4.00 (# 289:10 Unique 2.42, 2.92 A)
&rst
ixpk= 289, nxpk= 10, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 855, 856,
&end
#
# 54 GLU HB- 54 GLU HN 4.00 (# 290:10 Unique 2.39, 2.99 A)
&rst
ixpk= 290, nxpk= 10, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 852, 853,
&end
#
# 12 THR MG2 54 GLU HN 4.00 (# 292:10 Unique 3.45, 4.03 A)
&rst
ixpk= 292, nxpk= 10, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 157, 158, 159,
&end
#
# 14 ILE QG2 54 GLU HN 6.00 (# 293:10 Preassigned 6.16, 6.83 A)
&rst
ixpk= 293, nxpk= 10, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 185, 186, 187,
&end
#
# 13 THR MG2 54 GLU HN 6.00 (# 294:10 Preassigned 5.29, 5.99 A)
&rst
ixpk= 294, nxpk= 10, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 171, 172, 173,
&end
#
# 13 THR HB 54 GLU HN 5.00 (# 296:10 Unique 3.98, 3.98 A)
&rst
ixpk= 296, nxpk= 10, iat= 169, 848, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 33 PHE HD 34 LEU HN 4.00 (# 298:10 Unique 3.73, 3.88 A)
&rst
ixpk= 298, nxpk= 10, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 498, 506,
&end
#
# 32 TRP HA 34 LEU HN 6.00 (# 299:10 Unique 3.95, 3.95 A)
&rst
ixpk= 299, nxpk= 10, iat= 468, 510, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:300 34 LEU HN 3.00 (# 300:10 Single Ambig)
&rst
ixpk= 300, nxpk= 10, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 512, 492,
&end
#
# 31 ARG HA 34 LEU HN 5.00 (# 301:10 Unique 3.82, 3.82 A)
&rst
ixpk= 301, nxpk= 10, iat= 444, 510, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 34 LEU HB+ 34 LEU HN 3.00 (# 302:10 Unique 2.16, 2.37 A)
&rst
ixpk= 302, nxpk= 10, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 514, 515,
&end
#
# 34 LEU HB- 34 LEU HN 3.00 (# 303:10 Unique 2.16, 2.37 A)
&rst
ixpk= 303, nxpk= 10, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 514, 515,
&end
#
# 85 LEU MDY 34 LEU HN 6.00 (# 304:10 Unique 5.98, 7.56 A)
&rst
ixpk= 304, nxpk= 10, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1311,1312,1313,1315,1316,1317,
&end
#
# 0 AMB 10-2:305 34 LEU HN 4.00 (# 305:10 Single Ambig)
&rst
ixpk= 305, nxpk= 10, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 519, 520, 521, 523, 524, 525, 323, 324, 325, 327,
328, 329,
&end
#
# 49 MET HN 48 ALA HN 4.00 (# 306:10 Unique 3.05, 3.05 A)
&rst
ixpk= 306, nxpk= 10, iat= 753, 743, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 46 LEU HN 48 ALA HN 6.00 (# 307:10 Unique 4.28, 4.28 A)
&rst
ixpk= 307, nxpk= 10, iat= 708, 743, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:308 48 ALA HN 5.00 (# 308:10 Single Ambig)
&rst
ixpk= 308, nxpk= 10, iat= -1, 743, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 682, 690, 684, 688,
&end
#
# 0 AMB 10-2:309 48 ALA HN 5.00 (# 309:10 Single Ambig)
&rst
ixpk= 309, nxpk= 10, iat= -1, 743, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 729,1267,
&end
#
# 48 ALA HA 48 ALA HN 4.00 (# 310:10 Unique 2.76, 2.76 A)
&rst
ixpk= 310, nxpk= 10, iat= 745, 743, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:311 0 AMB 10-1:311 5.00 (# 311:10 Double Ambig)
&rst
ixpk= 311, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 44, 45, 757, 758,1269,1270,
igr2= 16, 743,
&end
#
# 47 VAL HB 48 ALA HN 3.00 (# 312:10 Unique 2.51, 2.51 A)
&rst
ixpk= 312, nxpk= 10, iat= 731, 743, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:313 48 ALA HN 3.00 (# 313:10 Single Ambig)
&rst
ixpk= 313, nxpk= 10, iat= -1, 743, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 747, 748, 749, 733, 734, 735, 737, 738, 739,
&end
#
# 0 AMB 10-2:314 48 ALA HN 5.00 (# 314:10 Single Ambig)
&rst
ixpk= 314, nxpk= 10, iat= -1, 743, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 770, 792,
&end
#
# 47 VAL HN 48 ALA HN 3.00 (# 315:10 Unique 2.73, 2.73 A)
&rst
ixpk= 315, nxpk= 10, iat= 727, 743, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 45 ASN HA 48 ALA HN 4.00 (# 316:10 Unique 3.31, 3.31 A)
&rst
ixpk= 316, nxpk= 10, iat= 696, 743, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:317 0 AMB 10-1:317 5.00 (# 317:10 Double Ambig)
&rst
ixpk= 317, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 42, 755, 873, 59,
igr2= 16, 743,
&end
#
# 86 LEU MDY 48 ALA HN 6.00 (# 318:10 Unique 3.97, 5.40 A)
&rst
ixpk= 318, nxpk= 10, iat= -1, 743, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1330,1331,1332,1334,1335,1336,
&end
#
# 0 AMB 10-2:320 3 GLN HN 5.00 (# 320:10 Single Ambig)
&rst
ixpk= 320, nxpk= 10, iat= -1, 40, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 18, 59,
&end
#
# 3 GLN HB- 3 GLN HN 6.00 (# 322:10 Unique 2.38, 2.98 A)
&rst
ixpk= 322, nxpk= 10, iat= -1, 40, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 44, 45,
&end
#
# 105 PHE HN 103 ASP HN 6.00 (# 323:10 Unique 4.66, 4.66 A)
&rst
ixpk= 323, nxpk= 10, iat=1604,1577, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 104 GLU HN 103 ASP HN 3.00 (# 324:10 Unique 2.28, 2.28 A)
&rst
ixpk= 324, nxpk= 10, iat=1589,1577, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 102 GLU HA 103 ASP HN 3.00 (# 325:10 Unique 2.32, 2.32 A)
&rst
ixpk= 325, nxpk= 10, iat=1564,1577, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 103 ASP HB+ 103 ASP HN 5.00 (# 326:10 Unique 2.97, 3.42 A)
&rst
ixpk= 326, nxpk= 10, iat= -1,1577, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1581,1582,
&end
#
# 103 ASP HB- 103 ASP HN 4.00 (# 327:10 Unique 2.97, 3.42 A)
&rst
ixpk= 327, nxpk= 10, iat= -1,1577, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1581,1582,
&end
#
# 0 AMB 10-2:328 103 ASP HN 4.00 (# 328:10 Single Ambig)
&rst
ixpk= 328, nxpk= 10, iat= -1,1577, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1596,1597,1593,1594,
&end
#
# 13 THR MG2 103 ASP HN 6.00 (# 329:10 Preassigned 5.17, 5.75 A)
&rst
ixpk= 329, nxpk= 10, iat= -1,1577, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 171, 172, 173,
&end
#
# 102 GLU HB+ 103 ASP HN 5.00 (# 330:10 Unique 2.88, 3.36 A)
&rst
ixpk= 330, nxpk= 10, iat= -1,1577, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1566,1567,
&end
#
# 96 LEU HN 95 ILE HN 6.00 (# 331:10 Unique 4.21, 4.21 A)
&rst
ixpk= 331, nxpk= 10, iat=1473,1454, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 98 SER HN 95 ILE HN 4.00 (# 332:10 Preassigned 3.27, 3.27 A)
&rst
ixpk= 332, nxpk= 10, iat=1499,1454, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 94 THR HN 95 ILE HN 6.00 (# 333:10 Preassigned 4.51, 4.51 A)
&rst
ixpk= 333, nxpk= 10, iat=1440,1454, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 21 TRP HZ3 95 ILE HN 6.00 (# 334:10 Preassigned 6.76, 6.76 A)
&rst
ixpk= 334, nxpk= 10, iat= 307,1454, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 94 THR HA 95 ILE HN 3.00 (# 335:10 Unique 2.40, 2.40 A)
&rst
ixpk= 335, nxpk= 10, iat=1442,1454, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:336 95 ILE HN 4.00 (# 336:10 Single Ambig)
&rst
ixpk= 336, nxpk= 10, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1503,1504,1512,
&end
#
# 95 ILE HA 95 ILE HN 4.00 (# 337:10 Unique 2.99, 2.99 A)
&rst
ixpk= 337, nxpk= 10, iat=1456,1454, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 94 THR HB 95 ILE HN 3.00 (# 338:10 Unique 2.59, 2.59 A)
&rst
ixpk= 338, nxpk= 10, iat=1444,1454, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:339 95 ILE HN 4.00 (# 339:10 Single Ambig)
&rst
ixpk= 339, nxpk= 10, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=1389,1390,1391,1385,1386,
&end
#
# 0 AMB 10-2:340 95 ILE HN 5.00 (# 340:10 Single Ambig)
&rst
ixpk= 340, nxpk= 10, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1464,1465,1477,1478,
&end
#
# 95 ILE HB 95 ILE HN 4.00 (# 341:10 Unique 2.69, 2.69 A)
&rst
ixpk= 341, nxpk= 10, iat=1458,1454, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:342 95 ILE HN 6.00 (# 342:10 Single Ambig)
&rst
ixpk= 342, nxpk= 10, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1=1420,1421,1516,1517,1518,
&end
#
# 94 THR MG2 95 ILE HN 4.00 (# 343:10 Unique 3.98, 4.56 A)
&rst
ixpk= 343, nxpk= 10, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1446,1447,1448,
&end
#
# 95 ILE HG1- 95 ILE HN 5.00 (# 344:10 Unique 3.17, 3.72 A)
&rst
ixpk= 344, nxpk= 10, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1464,1465,
&end
#
# 95 ILE QD1 95 ILE HN 5.00 (# 345:10 Unique 4.69, 5.22 A)
&rst
ixpk= 345, nxpk= 10, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1467,1468,1469,
&end
#
# 95 ILE QG2 95 ILE HN 5.00 (# 346:10 Unique 4.33, 4.70 A)
&rst
ixpk= 346, nxpk= 10, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1460,1461,1462,
&end
#
# 22 LEU HN 21 TRP HN 4.00 (# 347:10 Unique 2.87, 2.87 A)
&rst
ixpk= 347, nxpk= 10, iat= 314, 290, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 20 ALA HN 21 TRP HN 4.00 (# 348:10 Unique 2.83, 2.83 A)
&rst
ixpk= 348, nxpk= 10, iat= 280, 290, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 21 TRP HE3 21 TRP HN 6.00 (# 349:10 Unique 4.34, 4.34 A)
&rst
ixpk= 349, nxpk= 10, iat= 309, 290, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 105 PHE HD 21 TRP HN 6.00 (# 350:10 Preassigned 4.83, 6.18 A)
&rst
ixpk= 350, nxpk= 10, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1612,1620,
&end
#
# 21 TRP HD1 21 TRP HN 5.00 (# 351:10 Unique 4.97, 4.97 A)
&rst
ixpk= 351, nxpk= 10, iat= 298, 290, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 21 TRP HA 21 TRP HN 3.00 (# 352:10 Unique 2.87, 2.87 A)
&rst
ixpk= 352, nxpk= 10, iat= 292, 290, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 21 TRP HB+ 21 TRP HN 3.00 (# 353:10 Unique 2.27, 2.47 A)
&rst
ixpk= 353, nxpk= 10, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 294, 295,
&end
#
# 21 TRP HB- 21 TRP HN 3.00 (# 354:10 Unique 2.27, 2.47 A)
&rst
ixpk= 354, nxpk= 10, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 294, 295,
&end
#
# 0 AMB 10-2:355 21 TRP HN 6.00 (# 355:10 Single Ambig)
&rst
ixpk= 355, nxpk= 10, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1608,1609,1608,1609,
&end
#
# 20 ALA MB 21 TRP HN 3.00 (# 356:10 Unique 2.49, 3.31 A)
&rst
ixpk= 356, nxpk= 10, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 284, 285, 286,
&end
#
# 0 AMB 10-2:357 21 TRP HN 5.00 (# 357:10 Single Ambig)
&rst
ixpk= 357, nxpk= 10, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
igr1= 251, 252, 253, 255, 256, 257, 216, 217,1547,1548,
&end
#
# 0 AMB 10-2:359 21 TRP HN 6.00 (# 359:10 Single Ambig)
&rst
ixpk= 359, nxpk= 10, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 9.97, r4=10.47,
igr1=1053,1054,1055,1057,1058,1059, 270, 271, 272, 274,
275, 276, 270, 271, 272, 274, 275, 276, 403, 404,
405,
&end
#
# 104 GLU HA 103 ASP HN 5.00 (# 361:10 Unique 4.48, 4.48 A)
&rst
ixpk= 361, nxpk= 10, iat=1591,1577, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 97 GLY HA- 95 ILE HN 6.00 (# 362:10 Unique 4.64, 5.09 A)
&rst
ixpk= 362, nxpk= 10, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1494,1495,
&end
#
# 0 AMB 10-2:365 0 AMB 10-1:365 3.00 (# 365:10 Double Ambig)
&rst
ixpk= 365, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1526,1579,
igr2=1543,1577,
&end
#
# 101 LEU HA 101 LEU HN 4.00 (# 366:10 Unique 2.88, 2.88 A)
&rst
ixpk= 366, nxpk= 10, iat=1545,1543, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:367 101 LEU HN 3.00 (# 367:10 Single Ambig)
&rst
ixpk= 367, nxpk= 10, iat= -1,1543, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1550,1547,1548,
&end
#
# 0 AMB 10-2:368 0 AMB 10-1:368 4.00 (# 368:10 Double Ambig)
&rst
ixpk= 368, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=1547,1548, 251, 252, 253, 255, 256, 257,
igr2=1543,1577,
&end
#
# 0 AMB 10-2:369 0 AMB 10-1:369 4.00 (# 369:10 Double Ambig)
&rst
ixpk= 369, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr1=1552,1553,1554,1556,1557,1558,1530,1531,1532, 251,
252, 253, 255, 256, 257,
igr2=1543,1577,
&end
#
# 79 CYS HN 77 ASP HN 5.00 (# 371:10 Unique 4.01, 4.01 A)
&rst
ixpk= 371, nxpk= 10, iat=1215,1186, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:372 77 ASP HN 6.00 (# 372:10 Single Ambig)
&rst
ixpk= 372, nxpk= 10, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1226, 538, 539,
&end
#
# 78 MET HA 77 ASP HN 6.00 (# 373:10 Unique 5.32, 5.32 A)
&rst
ixpk= 373, nxpk= 10, iat=1200,1186, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 75 VAL HB 77 ASP HN 6.00 (# 374:10 Preassigned 5.25, 5.25 A)
&rst
ixpk= 374, nxpk= 10, iat=1155,1186, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:375 77 ASP HN 6.00 (# 375:10 Single Ambig)
&rst
ixpk= 375, nxpk= 10, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1157,1158,1159,1161,1162,1163, 550, 551,
&end
#
# 76 LEU MDY 77 ASP HN 5.00 (# 376:10 Unique 4.63, 5.52 A)
&rst
ixpk= 376, nxpk= 10, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1176,1177,1178,1180,1181,1182,
&end
#
# 0 AMB 10-2:377 77 ASP HN 4.00 (# 377:10 Single Ambig)
&rst
ixpk= 377, nxpk= 10, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1167,1151,
&end
#
# 78 MET HN 77 ASP HN 3.00 (# 378:10 Unique 2.71, 2.71 A)
&rst
ixpk= 378, nxpk= 10, iat=1198,1186, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:379 77 ASP HN 4.00 (# 379:10 Single Ambig)
&rst
ixpk= 379, nxpk= 10, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1188, 589,
&end
#
# 75 VAL HA 77 ASP HN 5.00 (# 381:10 Unique 4.19, 4.19 A)
&rst
ixpk= 381, nxpk= 10, iat=1153,1186, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 76 LEU HA 77 ASP HN 5.00 (# 382:10 Unique 3.54, 3.54 A)
&rst
ixpk= 382, nxpk= 10, iat=1169,1186, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 77 ASP HB+ 77 ASP HN 3.00 (# 383:10 Unique 2.37, 2.45 A)
&rst
ixpk= 383, nxpk= 10, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1190,1191,
&end
#
# 77 ASP HB- 77 ASP HN 3.00 (# 384:10 Unique 2.37, 2.45 A)
&rst
ixpk= 384, nxpk= 10, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1190,1191,
&end
#
# 0 AMB 10-2:385 77 ASP HN 5.00 (# 385:10 Single Ambig)
&rst
ixpk= 385, nxpk= 10, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1202,1203, 265, 266,
&end
#
# 76 LEU HB+ 77 ASP HN 4.00 (# 386:10 Unique 2.62, 3.06 A)
&rst
ixpk= 386, nxpk= 10, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1171,1172,
&end
#
# 74 ALA MB 77 ASP HN 4.00 (# 387:10 Unique 2.75, 3.61 A)
&rst
ixpk= 387, nxpk= 10, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1145,1146,1147,
&end
#
# 0 AMB 10-2:388 77 ASP HN 5.00 (# 388:10 Single Ambig)
&rst
ixpk= 388, nxpk= 10, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1176,1177,1178,1180,1181,1182,1209,1210,1211,
&end
#
# 0 AMB 10-2:389 77 ASP HN 4.00 (# 389:10 Single Ambig)
&rst
ixpk= 389, nxpk= 10, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1=1128,1129,1130,1157,1158,1159,1161,1162,1163,1013,
1014,1015,1017,1018,1019,
&end
#
# 103 ASP HN 105 PHE HN 6.00 (# 390:10 Unique 4.66, 4.66 A)
&rst
ixpk= 390, nxpk= 10, iat=1577,1604, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 104 GLU HN 105 PHE HN 4.00 (# 391:10 Unique 2.74, 2.74 A)
&rst
ixpk= 391, nxpk= 10, iat=1589,1604, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 105 PHE HD 105 PHE HN 4.00 (# 392:10 Unique 2.90, 3.91 A)
&rst
ixpk= 392, nxpk= 10, iat= -1,1604, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1612,1620,
&end
#
# 105 PHE HA 105 PHE HN 4.00 (# 393:10 Unique 3.00, 3.00 A)
&rst
ixpk= 393, nxpk= 10, iat=1606,1604, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 106 THR HA 105 PHE HN 6.00 (# 394:10 Unique 4.90, 4.90 A)
&rst
ixpk= 394, nxpk= 10, iat=1626,1604, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 104 GLU HA 105 PHE HN 4.00 (# 395:10 Unique 3.27, 3.27 A)
&rst
ixpk= 395, nxpk= 10, iat=1591,1604, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 105 PHE HB+ 105 PHE HN 3.00 (# 396:10 Unique 2.69, 3.25 A)
&rst
ixpk= 396, nxpk= 10, iat= -1,1604, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1608,1609,
&end
#
# 0 AMB 10-2:397 105 PHE HN 4.00 (# 397:10 Single Ambig)
&rst
ixpk= 397, nxpk= 10, iat= -1,1604, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1593,1594,1596,1597,
&end
#
# 0 AMB 10-2:398 37 PHE HN 6.00 (# 398:10 Single Ambig)
&rst
ixpk= 398, nxpk= 10, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 593, 594, 595, 607, 608, 609,1132,1133,
&end
#
# 83 LYS HN 85 LEU HN 6.00 (# 399:10 Unique 4.44, 4.44 A)
&rst
ixpk= 399, nxpk= 10, iat=1265,1302, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 86 LEU HN 85 LEU HN 3.00 (# 400:10 Unique 2.89, 2.89 A)
&rst
ixpk= 400, nxpk= 10, iat=1321,1302, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 87 GLN HN 85 LEU HN 5.00 (# 401:10 Unique 4.50, 4.50 A)
&rst
ixpk= 401, nxpk= 10, iat=1340,1302, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 84 GLU HN 85 LEU HN 3.00 (# 402:10 Unique 2.92, 2.92 A)
&rst
ixpk= 402, nxpk= 10, iat=1287,1302, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 81 ALA HA 85 LEU HN 5.00 (# 403:10 Unique 4.60, 4.60 A)
&rst
ixpk= 403, nxpk= 10, iat=1238,1302, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 85 LEU HA 85 LEU HN 3.00 (# 404:10 Unique 2.86, 2.86 A)
&rst
ixpk= 404, nxpk= 10, iat=1304,1302, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 83 LYS HA 85 LEU HN 5.00 (# 405:10 Unique 4.61, 4.61 A)
&rst
ixpk= 405, nxpk= 10, iat=1267,1302, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 84 GLU HB+ 85 LEU HN 4.00 (# 407:10 Unique 2.71, 3.15 A)
&rst
ixpk= 407, nxpk= 10, iat= -1,1302, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1291,1292,
&end
#
# 85 LEU HB+ 85 LEU HN 3.00 (# 408:10 Unique 2.13, 2.83 A)
&rst
ixpk= 408, nxpk= 10, iat= -1,1302, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1306,1307,
&end
#
# 85 LEU MDX 85 LEU HN 4.00 (# 409:10 Unique 2.26, 3.67 A)
&rst
ixpk= 409, nxpk= 10, iat= -1,1302, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1311,1312,1313,1315,1316,1317,
&end
#
# 85 LEU HB- 85 LEU HN 3.00 (# 411:10 Unique 2.13, 2.83 A)
&rst
ixpk= 411, nxpk= 10, iat= -1,1302, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1306,1307,
&end
#
# 85 LEU MDY 85 LEU HN 4.00 (# 412:10 Unique 2.26, 3.67 A)
&rst
ixpk= 412, nxpk= 10, iat= -1,1302, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1311,1312,1313,1315,1316,1317,
&end
#
# 22 LEU MDY 85 LEU HN 6.00 (# 413:10 Unique 4.95, 6.32 A)
&rst
ixpk= 413, nxpk= 10, iat= -1,1302, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 323, 324, 325, 327, 328, 329,
&end
#
# 85 LEU HG 85 LEU HN 4.00 (# 414:10 Unique 3.75, 3.75 A)
&rst
ixpk= 414, nxpk= 10, iat=1309,1302, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:416 85 LEU HN 6.00 (# 416:10 Single Ambig)
&rst
ixpk= 416, nxpk= 10, iat= -1,1302, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1330,1331,1332,1334,1335,1336,1460,1461,1462,
&end
#
# 104 GLU HB- 105 PHE HN 5.00 (# 417:10 Unique 3.74, 4.05 A)
&rst
ixpk= 417, nxpk= 10, iat= -1,1604, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1593,1594,
&end
#
# 36 ARG HA 37 PHE HN 4.00 (# 419:10 Unique 3.44, 3.44 A)
&rst
ixpk= 419, nxpk= 10, iat= 545, 567, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 37 PHE HB+ 37 PHE HN 4.00 (# 420:10 Unique 2.78, 3.19 A)
&rst
ixpk= 420, nxpk= 10, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 571, 572,
&end
#
# 37 PHE HB- 37 PHE HN 3.00 (# 421:10 Unique 2.78, 3.19 A)
&rst
ixpk= 421, nxpk= 10, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 571, 572,
&end
#
# 35 ASN HB+ 37 PHE HN 4.00 (# 422:10 Unique 2.70, 3.55 A)
&rst
ixpk= 422, nxpk= 10, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 533, 534,
&end
#
# 0 AMB 10-2:423 37 PHE HN 5.00 (# 423:10 Single Ambig)
&rst
ixpk= 423, nxpk= 10, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 550, 551,1132,1133,
&end
#
# 52 ASN HN 53 TYR HN 3.00 (# 424:10 Unique 2.73, 2.73 A)
&rst
ixpk= 424, nxpk= 10, iat= 813, 827, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 53 TYR HD 53 TYR HN 4.00 (# 425:10 Unique 3.06, 4.22 A)
&rst
ixpk= 425, nxpk= 10, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 835, 844,
&end
#
# 52 ASN HA 53 TYR HN 3.00 (# 426:10 Unique 2.31, 2.31 A)
&rst
ixpk= 426, nxpk= 10, iat= 815, 827, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 49 MET HA 53 TYR HN 4.00 (# 427:10 Unique 2.28, 2.28 A)
&rst
ixpk= 427, nxpk= 10, iat= 755, 827, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:428 53 TYR HN 4.00 (# 428:10 Single Ambig)
&rst
ixpk= 428, nxpk= 10, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 796, 797, 745,
&end
#
# 53 TYR HB+ 53 TYR HN 4.00 (# 429:10 Unique 2.47, 3.07 A)
&rst
ixpk= 429, nxpk= 10, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 831, 832,
&end
#
# 53 TYR HB- 53 TYR HN 3.00 (# 430:10 Unique 2.47, 3.07 A)
&rst
ixpk= 430, nxpk= 10, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 831, 832,
&end
#
# 51 TYR HB- 53 TYR HN 6.00 (# 431:10 Unique 4.77, 5.34 A)
&rst
ixpk= 431, nxpk= 10, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 796, 797,
&end
#
# 0 AMB 10-2:432 53 TYR HN 4.00 (# 432:10 Single Ambig)
&rst
ixpk= 432, nxpk= 10, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 157, 158, 159, 747, 748, 749,
&end
#
# 36 ARG HN 37 PHE HN 4.00 (# 434:10 Preassigned 2.75, 2.75 A)
&rst
ixpk= 434, nxpk= 10, iat= 543, 567, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 37 PHE HA 37 PHE HN 3.00 (# 435:10 Unique 2.78, 2.78 A)
&rst
ixpk= 435, nxpk= 10, iat= 569, 567, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 36 ARG HB+ 37 PHE HN 5.00 (# 436:10 Unique 3.25, 3.68 A)
&rst
ixpk= 436, nxpk= 10, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 547, 548,
&end
#
# 36 ARG HB- 37 PHE HN 4.00 (# 437:10 Preassigned 3.25, 3.68 A)
&rst
ixpk= 437, nxpk= 10, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 547, 548,
&end
#
# 0 AMB 10-2:438 44 PHE HN 5.00 (# 438:10 Single Ambig)
&rst
ixpk= 438, nxpk= 10, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1=1275,1276, 633, 634, 636,
&end
#
# 41 LEU MDX 44 PHE HN 6.00 (# 440:10 Unique 5.60, 7.21 A)
&rst
ixpk= 440, nxpk= 10, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 638, 639, 640, 642, 643, 644,
&end
#
# 0 AMB 10-2:441 53 TYR HN 6.00 (# 441:10 Single Ambig)
&rst
ixpk= 441, nxpk= 10, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 837, 842, 802, 807,
&end
#
# 19 LEU HN 20 ALA HN 3.00 (# 443:10 Unique 2.82, 2.82 A)
&rst
ixpk= 443, nxpk= 10, iat= 261, 280, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 21 TRP HN 20 ALA HN 3.00 (# 444:10 Unique 2.83, 2.83 A)
&rst
ixpk= 444, nxpk= 10, iat= 290, 280, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 23 TYR HD 20 ALA HN 5.00 (# 445:10 Unique 4.15, 6.22 A)
&rst
ixpk= 445, nxpk= 10, iat= -1, 280, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 341, 350,
&end
#
# 20 ALA MB 20 ALA HN 3.00 (# 446:10 Unique 2.51, 2.88 A)
&rst
ixpk= 446, nxpk= 10, iat= -1, 280, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 284, 285, 286,
&end
#
# 35 ASN HA 37 PHE HN 5.00 (# 447:10 Preassigned 4.19, 4.19 A)
&rst
ixpk= 447, nxpk= 10, iat= 531, 567, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 15 THR HA 16 LEU HN 6.00 (# 448:10 Unique 3.52, 3.52 A)
&rst
ixpk= 448, nxpk= 10, iat= 200, 212, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 46 LEU HN 44 PHE HN 6.00 (# 449:10 Unique 4.37, 4.37 A)
&rst
ixpk= 449, nxpk= 10, iat= 708, 674, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 45 ASN HN 44 PHE HN 4.00 (# 450:10 Unique 2.87, 2.87 A)
&rst
ixpk= 450, nxpk= 10, iat= 694, 674, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 43 ASP HN 44 PHE HN 4.00 (# 451:10 Unique 2.78, 2.78 A)
&rst
ixpk= 451, nxpk= 10, iat= 662, 674, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 44 PHE HD 44 PHE HN 5.00 (# 452:10 Unique 4.65, 4.68 A)
&rst
ixpk= 452, nxpk= 10, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 682, 690,
&end
#
# 43 ASP HA 44 PHE HN 4.00 (# 453:10 Unique 3.58, 3.58 A)
&rst
ixpk= 453, nxpk= 10, iat= 664, 674, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:454 44 PHE HN 4.00 (# 454:10 Single Ambig)
&rst
ixpk= 454, nxpk= 10, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 631, 605,
&end
#
# 44 PHE HA 44 PHE HN 4.00 (# 455:10 Unique 2.82, 2.82 A)
&rst
ixpk= 455, nxpk= 10, iat= 676, 674, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 44 PHE HB+ 44 PHE HN 3.00 (# 456:10 Unique 2.41, 2.52 A)
&rst
ixpk= 456, nxpk= 10, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 678, 679,
&end
#
# 44 PHE HB- 44 PHE HN 3.00 (# 457:10 Unique 2.41, 2.52 A)
&rst
ixpk= 457, nxpk= 10, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 678, 679,
&end
#
# 43 ASP HB+ 44 PHE HN 4.00 (# 458:10 Unique 2.42, 3.14 A)
&rst
ixpk= 458, nxpk= 10, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 666, 667,
&end
#
# 39 THR MG2 44 PHE HN 4.00 (# 459:10 Unique 3.04, 3.92 A)
&rst
ixpk= 459, nxpk= 10, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 607, 608, 609,
&end
#
# 17 ASN HA 20 ALA HN 4.00 (# 460:10 Unique 3.08, 3.08 A)
&rst
ixpk= 460, nxpk= 10, iat= 233, 280, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 20 ALA HA 20 ALA HN 3.00 (# 461:10 Unique 2.82, 2.82 A)
&rst
ixpk= 461, nxpk= 10, iat= 282, 280, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 19 LEU HB+ 20 ALA HN 4.00 (# 462:10 Unique 2.54, 3.03 A)
&rst
ixpk= 462, nxpk= 10, iat= -1, 280, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 265, 266,
&end
#
# 0 AMB 10-2:463 20 ALA HN 4.00 (# 463:10 Single Ambig)
&rst
ixpk= 463, nxpk= 10, iat= -1, 280, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 270, 271, 272, 274, 275, 276, 270, 271, 272, 274,
275, 276,1053,1054,1055,1057,1058,1059,
&end
#
# 108 PHE HN 109 ASP HN 6.00 (# 465:10 Unique 2.90, 2.90 A)
&rst
ixpk= 465, nxpk= 10, iat=1652,1672, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 109 ASP HA 109 ASP HN 3.00 (# 466:10 Unique 2.90, 2.90 A)
&rst
ixpk= 466, nxpk= 10, iat=1674,1672, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 110 VAL HA 109 ASP HN 6.00 (# 468:10 Preassigned 5.32, 5.32 A)
&rst
ixpk= 468, nxpk= 10, iat=1686,1672, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 109 ASP HB+ 109 ASP HN 3.00 (# 469:10 Preassigned 2.57, 2.60 A)
&rst
ixpk= 469, nxpk= 10, iat= -1,1672, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1676,1677,
&end
#
# 110 VAL MGY 109 ASP HN 6.00 (# 471:10 Preassigned 3.99, 6.03 A)
&rst
ixpk= 471, nxpk= 10, iat= -1,1672, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1690,1691,1692,1694,1695,1696,
&end
#
# 48 ALA HN 46 LEU HN 5.00 (# 472:10 Unique 4.28, 4.28 A)
&rst
ixpk= 472, nxpk= 10, iat= 743, 708, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:473 46 LEU HN 5.00 (# 473:10 Single Ambig)
&rst
ixpk= 473, nxpk= 10, iat= -1, 708, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 662, 703, 704,
&end
#
# 44 PHE HA 46 LEU HN 5.00 (# 474:10 Unique 4.61, 4.61 A)
&rst
ixpk= 474, nxpk= 10, iat= 676, 708, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 45 ASN HN 46 LEU HN 4.00 (# 475:10 Unique 2.78, 2.78 A)
&rst
ixpk= 475, nxpk= 10, iat= 694, 708, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 47 VAL HN 46 LEU HN 3.00 (# 476:10 Unique 2.86, 2.86 A)
&rst
ixpk= 476, nxpk= 10, iat= 727, 708, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 45 ASN HA 46 LEU HN 4.00 (# 477:10 Unique 3.59, 3.59 A)
&rst
ixpk= 477, nxpk= 10, iat= 696, 708, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 46 LEU HA 46 LEU HN 3.00 (# 478:10 Unique 2.84, 2.84 A)
&rst
ixpk= 478, nxpk= 10, iat= 710, 708, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:479 46 LEU HN 6.00 (# 479:10 Single Ambig)
&rst
ixpk= 479, nxpk= 10, iat= -1, 708, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 729,1267,
&end
#
# 45 ASN HB+ 46 LEU HN 4.00 (# 480:10 Unique 2.65, 3.06 A)
&rst
ixpk= 480, nxpk= 10, iat= -1, 708, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 698, 699,
&end
#
# 45 ASN HB- 46 LEU HN 4.00 (# 481:10 Unique 2.65, 3.06 A)
&rst
ixpk= 481, nxpk= 10, iat= -1, 708, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 698, 699,
&end
#
# 0 AMB 10-2:482 46 LEU HN 5.00 (# 482:10 Single Ambig)
&rst
ixpk= 482, nxpk= 10, iat= -1, 708, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 764, 765, 766, 757, 758, 870, 871,
&end
#
# 46 LEU HB+ 46 LEU HN 3.00 (# 483:10 Unique 2.30, 2.93 A)
&rst
ixpk= 483, nxpk= 10, iat= -1, 708, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 712, 713,
&end
#
# 46 LEU HB- 46 LEU HN 3.00 (# 484:10 Unique 2.30, 2.93 A)
&rst
ixpk= 484, nxpk= 10, iat= -1, 708, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 712, 713,
&end
#
# 46 LEU MDX 46 LEU HN 4.00 (# 485:10 Unique 3.75, 4.52 A)
&rst
ixpk= 485, nxpk= 10, iat= -1, 708, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 717, 718, 719, 721, 722, 723,
&end
#
# 51 TYR HB- 50 LYS HN 6.00 (# 486:10 Unique 5.13, 5.75 A)
&rst
ixpk= 486, nxpk= 10, iat= -1, 770, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 796, 797,
&end
#
# 49 MET HA 50 LYS HN 5.00 (# 487:10 Unique 3.54, 3.54 A)
&rst
ixpk= 487, nxpk= 10, iat= 755, 770, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 50 LYS HA 50 LYS HN 3.00 (# 488:10 Unique 2.88, 2.88 A)
&rst
ixpk= 488, nxpk= 10, iat= 772, 770, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 47 VAL HA 50 LYS HN 4.00 (# 489:10 Unique 3.87, 3.87 A)
&rst
ixpk= 489, nxpk= 10, iat= 729, 770, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:490 50 LYS HN 5.00 (# 490:10 Single Ambig)
&rst
ixpk= 490, nxpk= 10, iat= -1, 770, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 760, 761, 817, 818,
&end
#
# 49 MET HB+ 50 LYS HN 4.00 (# 491:10 Unique 3.02, 3.43 A)
&rst
ixpk= 491, nxpk= 10, iat= -1, 770, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 757, 758,
&end
#
# 50 LYS HB+ 50 LYS HN 3.00 (# 492:10 Unique 2.47, 3.04 A)
&rst
ixpk= 492, nxpk= 10, iat= -1, 770, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 774, 775,
&end
#
# 50 LYS HG- 50 LYS HN 4.00 (# 493:10 Unique 2.20, 2.85 A)
&rst
ixpk= 493, nxpk= 10, iat= -1, 770, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 777, 778,
&end
#
# 15 THR HN 16 LEU HN 4.00 (# 494:10 Unique 2.86, 2.86 A)
&rst
ixpk= 494, nxpk= 10, iat= 198, 212, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 18 VAL HN 16 LEU HN 5.00 (# 495:10 Unique 4.58, 4.58 A)
&rst
ixpk= 495, nxpk= 10, iat= 245, 212, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 17 ASN HN 16 LEU HN 4.00 (# 496:10 Unique 2.95, 2.95 A)
&rst
ixpk= 496, nxpk= 10, iat= 231, 212, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 15 THR HB 16 LEU HN 4.00 (# 497:10 Unique 2.32, 2.32 A)
&rst
ixpk= 497, nxpk= 10, iat= 202, 212, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 16 LEU HA 16 LEU HN 4.00 (# 498:10 Unique 2.78, 2.78 A)
&rst
ixpk= 498, nxpk= 10, iat= 214, 212, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 16 LEU HB+ 16 LEU HN 3.00 (# 499:10 Unique 2.31, 2.43 A)
&rst
ixpk= 499, nxpk= 10, iat= -1, 212, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 216, 217,
&end
#
# 16 LEU HB- 16 LEU HN 3.00 (# 500:10 Unique 2.31, 2.43 A)
&rst
ixpk= 500, nxpk= 10, iat= -1, 212, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 216, 217,
&end
#
# 16 LEU HG 16 LEU HN 5.00 (# 501:10 Preassigned 4.49, 4.49 A)
&rst
ixpk= 501, nxpk= 10, iat= 219, 212, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 56 LEU HG 16 LEU HN 6.00 (# 502:10 Unique 6.15, 6.15 A)
&rst
ixpk= 502, nxpk= 10, iat= 884, 212, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 40 THR HA 44 PHE HN 6.00 (# 503:10 Unique 5.13, 5.13 A)
&rst
ixpk= 503, nxpk= 10, iat= 617, 674, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:504 44 PHE HN 5.00 (# 504:10 Single Ambig)
&rst
ixpk= 504, nxpk= 10, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1=1219,1220, 712, 713, 731,
&end
#
# 64 LEU HG 20 ALA HN 5.00 (# 505:10 Preassigned 5.29, 5.29 A)
&rst
ixpk= 505, nxpk= 10, iat=1011, 280, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 71 THR HN 73 ILE HN 4.00 (# 507:10 Unique 3.79, 3.79 A)
&rst
ixpk= 507, nxpk= 10, iat=1101,1122, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 23 TYR HD 73 ILE HN 6.00 (# 508:10 Unique 4.98, 6.62 A)
&rst
ixpk= 508, nxpk= 10, iat= -1,1122, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 341, 350,
&end
#
# 23 TYR HE 73 ILE HN 5.00 (# 509:10 Unique 3.38, 5.40 A)
&rst
ixpk= 509, nxpk= 10, iat= -1,1122, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 343, 348,
&end
#
# 73 ILE HA 73 ILE HN 4.00 (# 510:10 Unique 3.01, 3.01 A)
&rst
ixpk= 510, nxpk= 10, iat=1124,1122, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:511 73 ILE HN 3.00 (# 511:10 Single Ambig)
&rst
ixpk= 511, nxpk= 10, iat= -1,1122, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1117,1118,1076,
&end
#
# 73 ILE HB 73 ILE HN 4.00 (# 512:10 Unique 2.42, 2.42 A)
&rst
ixpk= 512, nxpk= 10, iat=1126,1122, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 73 ILE HG1- 73 ILE HN 4.00 (# 513:10 Unique 3.29, 3.89 A)
&rst
ixpk= 513, nxpk= 10, iat= -1,1122, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1132,1133,
&end
#
# 73 ILE HG1+ 73 ILE HN 4.00 (# 514:10 Unique 3.29, 3.89 A)
&rst
ixpk= 514, nxpk= 10, iat= -1,1122, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1132,1133,
&end
#
# 0 AMB 10-2:515 73 ILE HN 4.00 (# 515:10 Single Ambig)
&rst
ixpk= 515, nxpk= 10, iat= -1,1122, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1135,1136,1137,1128,1129,1130, 380, 381, 382, 384,
385, 386,
&end
#
# 74 ALA HN 73 ILE HN 6.00 (# 516:10 Unique 4.16, 4.16 A)
&rst
ixpk= 516, nxpk= 10, iat=1141,1122, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 72 GLY HN 73 ILE HN 3.00 (# 517:10 Unique 2.52, 2.52 A)
&rst
ixpk= 517, nxpk= 10, iat=1115,1122, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 72 GLY HA- 73 ILE HN 4.00 (# 518:10 Unique 3.03, 3.25 A)
&rst
ixpk= 518, nxpk= 10, iat= -1,1122, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1117,1118,
&end
#
# 0 AMB 10-2:519 50 LYS HN 6.00 (# 519:10 Single Ambig)
&rst
ixpk= 519, nxpk= 10, iat= -1, 770, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 794, 696,
&end
#
# 0 AMB 10-2:520 50 LYS HN 4.00 (# 520:10 Single Ambig)
&rst
ixpk= 520, nxpk= 10, iat= -1, 770, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 780, 781, 780, 781,
&end
#
# 50 LYS HG+ 50 LYS HN 4.00 (# 521:10 Unique 2.20, 2.85 A)
&rst
ixpk= 521, nxpk= 10, iat= -1, 770, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 777, 778,
&end
#
# 0 AMB 10-2:522 93 ARG HN 5.00 (# 522:10 Single Ambig)
&rst
ixpk= 522, nxpk= 10, iat= -1,1416, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1440,1366,1367,
&end
#
# 90 MET HA 93 ARG HN 6.00 (# 523:10 Unique 4.40, 4.40 A)
&rst
ixpk= 523, nxpk= 10, iat=1380,1416, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 92 GLY HN 93 ARG HN 4.00 (# 524:10 Unique 2.50, 2.50 A)
&rst
ixpk= 524, nxpk= 10, iat=1409,1416, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 93 ARG HA 93 ARG HN 3.00 (# 526:10 Unique 2.87, 2.87 A)
&rst
ixpk= 526, nxpk= 10, iat=1418,1416, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 92 GLY HA+ 93 ARG HN 4.00 (# 527:10 Unique 2.86, 3.21 A)
&rst
ixpk= 527, nxpk= 10, iat= -1,1416, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1411,1412,
&end
#
# 92 GLY HA- 93 ARG HN 4.00 (# 528:10 Unique 2.86, 3.21 A)
&rst
ixpk= 528, nxpk= 10, iat= -1,1416, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1411,1412,
&end
#
# 91 ASN HB+ 93 ARG HN 6.00 (# 529:10 Unique 4.59, 5.16 A)
&rst
ixpk= 529, nxpk= 10, iat= -1,1416, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1399,1400,
&end
#
# 90 MET HB- 93 ARG HN 6.00 (# 530:10 Preassigned 2.89, 3.47 A)
&rst
ixpk= 530, nxpk= 10, iat= -1,1416, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1382,1383,
&end
#
# 0 AMB 10-2:531 93 ARG HN 5.00 (# 531:10 Single Ambig)
&rst
ixpk= 531, nxpk= 10, iat= -1,1416, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1=1385,1386,1389,1390,1391,
&end
#
# 0 AMB 10-2:532 93 ARG HN 5.00 (# 532:10 Single Ambig)
&rst
ixpk= 532, nxpk= 10, iat= -1,1416, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1426,1427,1311,1312,1313,1315,1316,1317,
&end
#
# 93 ARG HB+ 93 ARG HN 4.00 (# 533:10 Unique 2.02, 2.71 A)
&rst
ixpk= 533, nxpk= 10, iat= -1,1416, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1420,1421,
&end
#
# 93 ARG HG+ 93 ARG HN 3.00 (# 534:10 Unique 3.02, 3.46 A)
&rst
ixpk= 534, nxpk= 10, iat= -1,1416, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1423,1424,
&end
#
# 49 MET HN 50 LYS HN 3.00 (# 537:10 Unique 2.90, 2.90 A)
&rst
ixpk= 537, nxpk= 10, iat= 753, 770, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 18 VAL MGY 22 LEU HN 6.00 (# 538:10 Preassigned 4.23, 6.00 A)
&rst
ixpk= 538, nxpk= 10, iat= -1, 314, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 251, 252, 253, 255, 256, 257,
&end
#
# 22 LEU MDX 22 LEU HN 5.00 (# 539:10 Unique 3.58, 4.57 A)
&rst
ixpk= 539, nxpk= 10, iat= -1, 314, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 323, 324, 325, 327, 328, 329,
&end
#
# 0 AMB 10-2:540 82 LEU HN 4.00 (# 540:10 Single Ambig)
&rst
ixpk= 540, nxpk= 10, iat= -1,1246, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=1287, 684, 688, 682, 690,
&end
#
# 83 LYS HN 82 LEU HN 4.00 (# 541:10 Unique 2.89, 2.89 A)
&rst
ixpk= 541, nxpk= 10, iat=1265,1246, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 81 ALA HN 82 LEU HN 3.00 (# 542:10 Unique 2.91, 2.91 A)
&rst
ixpk= 542, nxpk= 10, iat=1236,1246, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 82 LEU HA 82 LEU HN 3.00 (# 543:10 Unique 2.85, 2.85 A)
&rst
ixpk= 543, nxpk= 10, iat=1248,1246, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 81 ALA MB 82 LEU HN 4.00 (# 544:10 Unique 2.41, 3.24 A)
&rst
ixpk= 544, nxpk= 10, iat= -1,1246, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1240,1241,1242,
&end
#
# 34 LEU MDX 82 LEU HN 6.00 (# 545:10 Unique 6.54, 8.25 A)
&rst
ixpk= 545, nxpk= 10, iat= -1,1246, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 519, 520, 521, 523, 524, 525,
&end
#
# 0 AMB 10-2:547 32 TRP HN 4.00 (# 547:10 Single Ambig)
&rst
ixpk= 547, nxpk= 10, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 470, 471, 376,
&end
#
# 0 AMB 10-2:548 58 GLN HN 4.00 (# 548:10 Single Ambig)
&rst
ixpk= 548, nxpk= 10, iat= -1, 910, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 917, 918, 961,
&end
#
# 59 ASP HN 58 GLN HN 5.00 (# 549:10 Unique 2.88, 2.88 A)
&rst
ixpk= 549, nxpk= 10, iat= 927, 910, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 57 THR HA 58 GLN HN 3.00 (# 550:10 Unique 2.42, 2.42 A)
&rst
ixpk= 550, nxpk= 10, iat= 898, 910, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:551 58 GLN HN 6.00 (# 551:10 Single Ambig)
&rst
ixpk= 551, nxpk= 10, iat= -1, 910, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 929, 975,
&end
#
# 58 GLN HA 58 GLN HN 4.00 (# 552:10 Unique 2.83, 2.83 A)
&rst
ixpk= 552, nxpk= 10, iat= 912, 910, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 58 GLN HB+ 58 GLN HN 4.00 (# 553:10 Unique 2.43, 2.44 A)
&rst
ixpk= 553, nxpk= 10, iat= -1, 910, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 914, 915,
&end
#
# 58 GLN HB- 58 GLN HN 4.00 (# 554:10 Unique 2.43, 2.44 A)
&rst
ixpk= 554, nxpk= 10, iat= -1, 910, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 914, 915,
&end
#
# 0 AMB 10-2:555 22 LEU HN 3.00 (# 555:10 Single Ambig)
&rst
ixpk= 555, nxpk= 10, iat= -1, 314, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 290, 333,
&end
#
# 21 TRP HE3 22 LEU HN 5.00 (# 556:10 Unique 2.97, 2.97 A)
&rst
ixpk= 556, nxpk= 10, iat= 309, 314, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 21 TRP HA 22 LEU HN 5.00 (# 557:10 Unique 3.63, 3.63 A)
&rst
ixpk= 557, nxpk= 10, iat= 292, 314, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:558 22 LEU HN 4.00 (# 558:10 Single Ambig)
&rst
ixpk= 558, nxpk= 10, iat= -1, 314, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 263, 335,
&end
#
# 0 AMB 10-2:559 22 LEU HN 4.00 (# 559:10 Single Ambig)
&rst
ixpk= 559, nxpk= 10, iat= -1, 314, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 294, 295, 316,
&end
#
# 22 LEU HG 22 LEU HN 5.00 (# 560:10 Unique 2.69, 2.69 A)
&rst
ixpk= 560, nxpk= 10, iat= 321, 314, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 22 LEU HB- 22 LEU HN 4.00 (# 561:10 Unique 2.35, 2.97 A)
&rst
ixpk= 561, nxpk= 10, iat= -1, 314, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 318, 319,
&end
#
# 78 MET ME 22 LEU HN 6.00 (# 562:10 Preassigned 5.35, 6.18 A)
&rst
ixpk= 562, nxpk= 10, iat= -1, 314, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1209,1210,1211,
&end
#
# 22 LEU MDY 22 LEU HN 4.00 (# 563:10 Unique 3.58, 4.57 A)
&rst
ixpk= 563, nxpk= 10, iat= -1, 314, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 323, 324, 325, 327, 328, 329,
&end
#
# 21 TRP HD1 22 LEU HN 6.00 (# 564:10 Preassigned 5.59, 5.59 A)
&rst
ixpk= 564, nxpk= 10, iat= 298, 314, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 85 LEU HN 86 LEU HN 3.00 (# 565:10 Unique 2.89, 2.89 A)
&rst
ixpk= 565, nxpk= 10, iat=1302,1321, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 87 GLN HN 86 LEU HN 4.00 (# 566:10 Unique 2.64, 2.64 A)
&rst
ixpk= 566, nxpk= 10, iat=1340,1321, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:567 86 LEU HN 4.00 (# 567:10 Single Ambig)
&rst
ixpk= 567, nxpk= 10, iat= -1,1321, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1552,1553,1554,1556,1557,1558,1311,1312,1313,1315,
1316,1317,
&end
#
# 79 CYS HN 82 LEU HN 5.00 (# 568:10 Unique 4.77, 4.77 A)
&rst
ixpk= 568, nxpk= 10, iat=1215,1246, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 82 LEU HB+ 82 LEU HN 3.00 (# 569:10 Unique 2.18, 2.39 A)
&rst
ixpk= 569, nxpk= 10, iat= -1,1246, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1250,1251,
&end
#
# 60 HIS HN 62 ASP HN 5.00 (# 570:10 Unique 4.31, 4.31 A)
&rst
ixpk= 570, nxpk= 10, iat= 939, 973, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 111 VAL HA 111 VAL HN 5.00 (# 571:10 Preassigned 2.89, 2.89 A)
&rst
ixpk= 571, nxpk= 10, iat=1702,1700, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 111 VAL HB 111 VAL HN 4.00 (# 572:10 Preassigned 2.22, 2.22 A)
&rst
ixpk= 572, nxpk= 10, iat=1704,1700, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 23 TYR HA 26 VAL HN 4.00 (# 573:10 Unique 3.28, 3.28 A)
&rst
ixpk= 573, nxpk= 10, iat= 335, 374, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 25 ALA HA 26 VAL HN 5.00 (# 574:10 Unique 3.60, 3.60 A)
&rst
ixpk= 574, nxpk= 10, iat= 366, 374, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:575 26 VAL HN 6.00 (# 575:10 Single Ambig)
&rst
ixpk= 575, nxpk= 10, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 337, 338, 413, 414,
&end
#
# 0 AMB 10-2:576 26 VAL HN 5.00 (# 576:10 Single Ambig)
&rst
ixpk= 576, nxpk= 10, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 394, 318, 319,
&end
#
# 27 ILE HG1- 26 VAL HN 6.00 (# 577:10 Unique 4.87, 5.69 A)
&rst
ixpk= 577, nxpk= 10, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 400, 401,
&end
#
# 26 VAL MGX 26 VAL HN 4.00 (# 578:10 Unique 2.09, 3.76 A)
&rst
ixpk= 578, nxpk= 10, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 380, 381, 382, 384, 385, 386,
&end
#
# 0 AMB 10-2:579 26 VAL HN 5.00 (# 579:10 Single Ambig)
&rst
ixpk= 579, nxpk= 10, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 403, 404, 405, 517,
&end
#
# 0 AMB 10-2:580 26 VAL HN 3.00 (# 580:10 Single Ambig)
&rst
ixpk= 580, nxpk= 10, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 364, 390,
&end
#
# 28 ASN HN 26 VAL HN 5.00 (# 582:10 Preassigned 4.40, 4.40 A)
&rst
ixpk= 582, nxpk= 10, iat= 409, 374, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 33 PHE HZ 26 VAL HN 5.00 (# 583:10 Unique 3.36, 3.36 A)
&rst
ixpk= 583, nxpk= 10, iat= 502, 374, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:585 26 VAL HN 3.00 (# 585:10 Single Ambig)
&rst
ixpk= 585, nxpk= 10, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 376, 316,
&end
#
# 26 VAL HB 26 VAL HN 3.00 (# 586:10 Unique 2.46, 2.46 A)
&rst
ixpk= 586, nxpk= 10, iat= 378, 374, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 25 ALA MB 26 VAL HN 3.00 (# 587:10 Unique 2.41, 3.25 A)
&rst
ixpk= 587, nxpk= 10, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 368, 369, 370,
&end
#
# 26 VAL MGY 26 VAL HN 3.00 (# 588:10 Unique 2.09, 3.76 A)
&rst
ixpk= 588, nxpk= 10, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 380, 381, 382, 384, 385, 386,
&end
#
# 112 ARG HD+ 112 ARG HN 5.00 (# 589:10 Preassigned 4.82, 4.98 A)
&rst
ixpk= 589, nxpk= 10, iat= -1,1716, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1726,1727,
&end
#
# 32 TRP HE1 32 TRP HN 6.00 (# 590:10 Unique 4.86, 4.86 A)
&rst
ixpk= 590, nxpk= 10, iat= 476, 466, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 32 TRP HD1 32 TRP HN 5.00 (# 591:10 Unique 3.16, 3.16 A)
&rst
ixpk= 591, nxpk= 10, iat= 474, 466, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 33 PHE HE 32 TRP HN 6.00 (# 592:10 Unique 3.65, 4.71 A)
&rst
ixpk= 592, nxpk= 10, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 500, 504,
&end
#
# 30 ASP HA 32 TRP HN 5.00 (# 593:10 Unique 5.01, 5.01 A)
&rst
ixpk= 593, nxpk= 10, iat= 432, 466, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 32 TRP HA 32 TRP HN 4.00 (# 595:10 Unique 2.97, 2.97 A)
&rst
ixpk= 595, nxpk= 10, iat= 468, 466, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 31 ARG HA 32 TRP HN 4.00 (# 596:10 Unique 2.29, 2.29 A)
&rst
ixpk= 596, nxpk= 10, iat= 444, 466, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 33 PHE HD 32 TRP HN 4.00 (# 597:10 Unique 3.14, 4.32 A)
&rst
ixpk= 597, nxpk= 10, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 498, 506,
&end
#
# 32 TRP HB- 32 TRP HN 4.00 (# 598:10 Unique 3.16, 3.58 A)
&rst
ixpk= 598, nxpk= 10, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 470, 471,
&end
#
# 49 MET HN 47 VAL HN 5.00 (# 599:10 Unique 4.58, 4.58 A)
&rst
ixpk= 599, nxpk= 10, iat= 753, 727, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 44 PHE HA 47 VAL HN 5.00 (# 600:10 Unique 3.74, 3.74 A)
&rst
ixpk= 600, nxpk= 10, iat= 676, 727, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:601 47 VAL HN 6.00 (# 601:10 Single Ambig)
&rst
ixpk= 601, nxpk= 10, iat= -1, 727, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 745, 796, 797,
&end
#
# 86 LEU MDX 86 LEU HN 5.00 (# 602:10 Unique 3.69, 4.44 A)
&rst
ixpk= 602, nxpk= 10, iat= -1,1321, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1330,1331,1332,1334,1335,1336,
&end
#
# 86 LEU HB- 86 LEU HN 4.00 (# 603:10 Unique 2.44, 3.04 A)
&rst
ixpk= 603, nxpk= 10, iat= -1,1321, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1325,1326,
&end
#
# 86 LEU HA 86 LEU HN 3.00 (# 604:10 Unique 2.89, 2.89 A)
&rst
ixpk= 604, nxpk= 10, iat=1323,1321, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:605 86 LEU HN 5.00 (# 605:10 Single Ambig)
&rst
ixpk= 605, nxpk= 10, iat= -1,1321, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1311,1312,1313,1315,1316,1317,1547,1548,
&end
#
# 86 LEU HG 86 LEU HN 5.00 (# 606:10 Preassigned 2.42, 2.42 A)
&rst
ixpk= 606, nxpk= 10, iat=1328,1321, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 85 LEU HG 86 LEU HN 6.00 (# 607:10 Unique 5.41, 5.41 A)
&rst
ixpk= 607, nxpk= 10, iat=1309,1321, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:610 0 AMB 10-1:610 4.00 (# 610:10 Double Ambig)
&rst
ixpk= 610, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 73,1238,
igr2= 81,1246,
&end
#
# 6 GLN HG+ 6 GLN HN 5.00 (# 611:10 Unique 2.28, 2.65 A)
&rst
ixpk= 611, nxpk= 10, iat= -1, 81, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 88, 89,
&end
#
# 58 GLN HA 62 ASP HN 4.00 (# 612:10 Preassigned 3.95, 3.95 A)
&rst
ixpk= 612, nxpk= 10, iat= 912, 973, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 61 VAL HN 62 ASP HN 3.00 (# 613:10 Unique 2.92, 2.92 A)
&rst
ixpk= 613, nxpk= 10, iat= 957, 973, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 62 ASP HA 62 ASP HN 3.00 (# 614:10 Unique 2.84, 2.84 A)
&rst
ixpk= 614, nxpk= 10, iat= 975, 973, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 61 VAL HA 62 ASP HN 4.00 (# 615:10 Unique 3.58, 3.58 A)
&rst
ixpk= 615, nxpk= 10, iat= 959, 973, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 62 ASP HB+ 62 ASP HN 3.00 (# 616:10 Unique 2.53, 2.53 A)
&rst
ixpk= 616, nxpk= 10, iat= -1, 973, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 977, 978,
&end
#
# 62 ASP HB- 62 ASP HN 3.00 (# 617:10 Unique 2.53, 2.53 A)
&rst
ixpk= 617, nxpk= 10, iat= -1, 973, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 977, 978,
&end
#
# 61 VAL HB 62 ASP HN 4.00 (# 618:10 Unique 2.61, 2.61 A)
&rst
ixpk= 618, nxpk= 10, iat= 961, 973, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 111 VAL HA 112 ARG HN 5.00 (# 620:10 Preassigned 3.58, 3.58 A)
&rst
ixpk= 620, nxpk= 10, iat=1702,1716, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 66 PRO HB+ 112 ARG HN 6.00 (# 621:10 Preassigned 7.15, 7.64 A)
&rst
ixpk= 621, nxpk= 10, iat= -1,1716, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1037,1038,
&end
#
# 0 AMB 10-2:622 112 ARG HN 3.00 (# 622:10 Single Ambig)
&rst
ixpk= 622, nxpk= 10, iat= -1,1716, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1720,1721,1720,1721,
&end
#
# 112 ARG HG+ 112 ARG HN 4.00 (# 623:10 Unique 2.66, 3.21 A)
&rst
ixpk= 623, nxpk= 10, iat= -1,1716, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1723,1724,
&end
#
# 45 ASN HN 47 VAL HN 6.00 (# 624:10 Unique 4.39, 4.39 A)
&rst
ixpk= 624, nxpk= 10, iat= 694, 727, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 48 ALA HN 47 VAL HN 3.00 (# 625:10 Unique 2.73, 2.73 A)
&rst
ixpk= 625, nxpk= 10, iat= 743, 727, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 46 LEU HN 47 VAL HN 3.00 (# 626:10 Unique 2.86, 2.86 A)
&rst
ixpk= 626, nxpk= 10, iat= 708, 727, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 45 ASN HA 47 VAL HN 5.00 (# 627:10 Unique 4.49, 4.49 A)
&rst
ixpk= 627, nxpk= 10, iat= 696, 727, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 46 LEU HA 47 VAL HN 4.00 (# 628:10 Unique 3.61, 3.61 A)
&rst
ixpk= 628, nxpk= 10, iat= 710, 727, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 47 VAL HA 47 VAL HN 3.00 (# 629:10 Unique 2.90, 2.90 A)
&rst
ixpk= 629, nxpk= 10, iat= 729, 727, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:630 47 VAL HN 3.00 (# 630:10 Single Ambig)
&rst
ixpk= 630, nxpk= 10, iat= -1, 727, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 731, 712, 713,
&end
#
# 46 LEU HB- 47 VAL HN 4.00 (# 631:10 Unique 2.75, 3.12 A)
&rst
ixpk= 631, nxpk= 10, iat= -1, 727, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 712, 713,
&end
#
# 47 VAL MGY 47 VAL HN 3.00 (# 632:10 Unique 2.17, 3.79 A)
&rst
ixpk= 632, nxpk= 10, iat= -1, 727, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 733, 734, 735, 737, 738, 739,
&end
#
# 87 GLN HG- 86 LEU HN 6.00 (# 633:10 Unique 4.57, 5.27 A)
&rst
ixpk= 633, nxpk= 10, iat= -1,1321, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1347,1348,
&end
#
# 34 LEU HA 35 ASN HN 3.00 (# 634:10 Unique 2.15, 2.15 A)
&rst
ixpk= 634, nxpk= 10, iat= 512, 529, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 34 LEU HB+ 35 ASN HN 4.00 (# 635:10 Preassigned 4.11, 4.15 A)
&rst
ixpk= 635, nxpk= 10, iat= -1, 529, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 514, 515,
&end
#
# 34 LEU HB- 35 ASN HN 4.00 (# 636:10 Preassigned 4.11, 4.15 A)
&rst
ixpk= 636, nxpk= 10, iat= -1, 529, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 514, 515,
&end
#
# 34 LEU MDX 35 ASN HN 4.00 (# 637:10 Unique 2.06, 3.42 A)
&rst
ixpk= 637, nxpk= 10, iat= -1, 529, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 519, 520, 521, 523, 524, 525,
&end
#
# 81 ALA MB 35 ASN HN 4.00 (# 639:10 Unique 3.08, 3.96 A)
&rst
ixpk= 639, nxpk= 10, iat= -1, 529, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1240,1241,1242,
&end
#
# 112 ARG HA 112 ARG HN 3.00 (# 641:10 Unique 2.84, 2.84 A)
&rst
ixpk= 641, nxpk= 10, iat=1718,1716, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 34 LEU HN 35 ASN HN 6.00 (# 646:10 Unique 4.62, 4.62 A)
&rst
ixpk= 646, nxpk= 10, iat= 510, 529, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 116 GLY HN 117 VAL HN 6.00 (# 647:10 Unique 2.80, 2.80 A)
&rst
ixpk= 647, nxpk= 10, iat=1779,1786, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 83 LYS HD+ 83 LYS HN 5.00 (# 649:10 Preassigned 4.75, 4.83 A)
&rst
ixpk= 649, nxpk= 10, iat= -1,1265, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1275,1276,
&end
#
# 81 ALA HN 83 LYS HN 6.00 (# 650:10 Unique 4.22, 4.22 A)
&rst
ixpk= 650, nxpk= 10, iat=1236,1265, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:654 117 VAL HN 6.00 (# 654:10 Single Ambig)
&rst
ixpk= 654, nxpk= 10, iat= -1,1786, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1781,1782,1772,1773,
&end
#
# 117 VAL HB 117 VAL HN 4.00 (# 655:10 Unique 2.46, 2.46 A)
&rst
ixpk= 655, nxpk= 10, iat=1790,1786, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 82 LEU HN 83 LYS HN 4.00 (# 656:10 Unique 2.89, 2.89 A)
&rst
ixpk= 656, nxpk= 10, iat=1246,1265, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:657 83 LYS HN 6.00 (# 657:10 Single Ambig)
&rst
ixpk= 657, nxpk= 10, iat= -1,1265, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1302,1226, 538, 539,
&end
#
# 81 ALA HA 83 LYS HN 6.00 (# 658:10 Unique 4.54, 4.54 A)
&rst
ixpk= 658, nxpk= 10, iat=1238,1265, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:659 83 LYS HN 4.00 (# 659:10 Single Ambig)
&rst
ixpk= 659, nxpk= 10, iat= -1,1265, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1228,1248,
&end
#
# 83 LYS HA 83 LYS HN 3.00 (# 660:10 Unique 2.83, 2.83 A)
&rst
ixpk= 660, nxpk= 10, iat=1267,1265, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:661 83 LYS HN 6.00 (# 661:10 Single Ambig)
&rst
ixpk= 661, nxpk= 10, iat= -1,1265, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1278,1279,1190,1191,
&end
#
# 83 LYS HB+ 83 LYS HN 3.00 (# 662:10 Unique 2.43, 2.44 A)
&rst
ixpk= 662, nxpk= 10, iat= -1,1265, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1269,1270,
&end
#
# 0 AMB 10-2:663 83 LYS HN 3.00 (# 663:10 Single Ambig)
&rst
ixpk= 663, nxpk= 10, iat= -1,1265, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1269,1270,1250,1251,
&end
#
# 0 AMB 10-2:664 83 LYS HN 4.00 (# 664:10 Single Ambig)
&rst
ixpk= 664, nxpk= 10, iat= -1,1265, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1255,1256,1257,1259,1260,1261,1272,1273,1230,1231,
1232,
&end
#
# 82 LEU HB- 83 LYS HN 4.00 (# 665:10 Unique 2.64, 3.22 A)
&rst
ixpk= 665, nxpk= 10, iat= -1,1265, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1250,1251,
&end
#
# 82 LEU HG 83 LYS HN 5.00 (# 666:10 Preassigned 4.93, 4.93 A)
&rst
ixpk= 666, nxpk= 10, iat=1253,1265, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:667 83 LYS HN 6.00 (# 667:10 Single Ambig)
&rst
ixpk= 667, nxpk= 10, iat= -1,1265, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 270, 271, 272, 274, 275, 276, 270, 271, 272, 274,
275, 276,
&end
#
# 86 LEU MDY 83 LYS HN 6.00 (# 668:10 Unique 4.69, 6.27 A)
&rst
ixpk= 668, nxpk= 10, iat= -1,1265, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1330,1331,1332,1334,1335,1336,
&end
#
# 111 VAL HN 110 VAL HN 6.00 (# 671:10 Unique 2.82, 2.82 A)
&rst
ixpk= 671, nxpk= 10, iat=1700,1684, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 109 ASP HA 110 VAL HN 6.00 (# 672:10 Unique 3.57, 3.57 A)
&rst
ixpk= 672, nxpk= 10, iat=1674,1684, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 110 VAL HA 110 VAL HN 3.00 (# 674:10 Unique 2.92, 2.92 A)
&rst
ixpk= 674, nxpk= 10, iat=1686,1684, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 109 ASP HB+ 110 VAL HN 6.00 (# 675:10 Unique 2.49, 3.16 A)
&rst
ixpk= 675, nxpk= 10, iat= -1,1684, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1676,1677,
&end
#
# 109 ASP HB- 110 VAL HN 6.00 (# 676:10 Unique 2.49, 3.16 A)
&rst
ixpk= 676, nxpk= 10, iat= -1,1684, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1676,1677,
&end
#
# 110 VAL HB 110 VAL HN 4.00 (# 677:10 Unique 2.60, 2.60 A)
&rst
ixpk= 677, nxpk= 10, iat=1688,1684, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 67 LEU HG 110 VAL HN 5.00 (# 679:10 Preassigned 5.97, 5.97 A)
&rst
ixpk= 679, nxpk= 10, iat=1051,1684, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 110 VAL MGY 110 VAL HN 3.00 (# 680:10 Unique 1.87, 3.66 A)
&rst
ixpk= 680, nxpk= 10, iat= -1,1684, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1690,1691,1692,1694,1695,1696,
&end
#
# 67 LEU MDY 110 VAL HN 5.00 (# 681:10 Unique 4.15, 5.34 A)
&rst
ixpk= 681, nxpk= 10, iat= -1,1684, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1053,1054,1055,1057,1058,1059,
&end
#
# 61 VAL HA 60 HIS HN 6.00 (# 682:10 Unique 5.46, 5.46 A)
&rst
ixpk= 682, nxpk= 10, iat= 959, 939, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 57 THR HN 60 HIS HN 5.00 (# 683:10 Unique 3.10, 3.10 A)
&rst
ixpk= 683, nxpk= 10, iat= 896, 939, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 62 ASP HN 60 HIS HN 5.00 (# 684:10 Unique 4.31, 4.31 A)
&rst
ixpk= 684, nxpk= 10, iat= 973, 939, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 59 ASP HN 60 HIS HN 3.00 (# 685:10 Unique 2.74, 2.74 A)
&rst
ixpk= 685, nxpk= 10, iat= 927, 939, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 61 VAL HN 60 HIS HN 3.00 (# 686:10 Unique 2.75, 2.75 A)
&rst
ixpk= 686, nxpk= 10, iat= 957, 939, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 60 HIS HD2 60 HIS HN 5.00 (# 687:10 Unique 4.65, 4.65 A)
&rst
ixpk= 687, nxpk= 10, iat= 953, 939, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 57 THR HB 60 HIS HN 6.00 (# 689:10 Unique 3.92, 3.92 A)
&rst
ixpk= 689, nxpk= 10, iat= 900, 939, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:690 60 HIS HN 3.00 (# 690:10 Single Ambig)
&rst
ixpk= 690, nxpk= 10, iat= -1, 939, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 941, 929,
&end
#
# 58 GLN HA 60 HIS HN 6.00 (# 691:10 Unique 4.63, 4.63 A)
&rst
ixpk= 691, nxpk= 10, iat= 912, 939, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 60 HIS HB+ 60 HIS HN 3.00 (# 692:10 Unique 2.26, 2.93 A)
&rst
ixpk= 692, nxpk= 10, iat= -1, 939, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 943, 944,
&end
#
# 60 HIS HB- 60 HIS HN 4.00 (# 693:10 Unique 2.26, 2.93 A)
&rst
ixpk= 693, nxpk= 10, iat= -1, 939, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 943, 944,
&end
#
# 59 ASP HB+ 60 HIS HN 4.00 (# 694:10 Unique 2.59, 3.25 A)
&rst
ixpk= 694, nxpk= 10, iat= -1, 939, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 931, 932,
&end
#
# 59 ASP HB- 60 HIS HN 4.00 (# 695:10 Unique 2.59, 3.25 A)
&rst
ixpk= 695, nxpk= 10, iat= -1, 939, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 931, 932,
&end
#
# 0 AMB 10-2:696 60 HIS HN 6.00 (# 696:10 Single Ambig)
&rst
ixpk= 696, nxpk= 10, iat= -1, 939, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 914, 915, 989,
&end
#
# 56 LEU MDY 60 HIS HN 6.00 (# 697:10 Preassigned 5.14, 6.18 A)
&rst
ixpk= 697, nxpk= 10, iat= -1, 939, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 886, 887, 888, 890, 891, 892,
&end
#
# 63 ILE QD1 60 HIS HN 5.00 (# 698:10 Preassigned 4.42, 5.30 A)
&rst
ixpk= 698, nxpk= 10, iat= -1, 939, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 998, 999,1000,
&end
#
# 56 LEU HG 60 HIS HN 6.00 (# 699:10 Unique 4.36, 4.36 A)
&rst
ixpk= 699, nxpk= 10, iat= 884, 939, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 46 LEU HN 43 ASP HN 6.00 (# 700:10 Unique 4.76, 4.76 A)
&rst
ixpk= 700, nxpk= 10, iat= 708, 662, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 57 THR MG2 60 HIS HN 6.00 (# 701:10 Unique 4.69, 5.07 A)
&rst
ixpk= 701, nxpk= 10, iat= -1, 939, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 902, 903, 904,
&end
#
# 56 LEU MDX 60 HIS HN 6.00 (# 702:10 Unique 5.14, 6.18 A)
&rst
ixpk= 702, nxpk= 10, iat= -1, 939, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 886, 887, 888, 890, 891, 892,
&end
#
# 44 PHE HN 45 ASN HN 3.00 (# 703:10 Unique 2.87, 2.87 A)
&rst
ixpk= 703, nxpk= 10, iat= 674, 694, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:704 45 ASN HN 5.00 (# 704:10 Single Ambig)
&rst
ixpk= 704, nxpk= 10, iat= -1, 694, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 662, 703, 704,
&end
#
# 46 LEU HN 45 ASN HN 3.00 (# 705:10 Unique 2.78, 2.78 A)
&rst
ixpk= 705, nxpk= 10, iat= 708, 694, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 44 PHE HD 45 ASN HN 3.00 (# 706:10 Unique 3.40, 4.34 A)
&rst
ixpk= 706, nxpk= 10, iat= -1, 694, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 682, 690,
&end
#
# 45 ASN HA 45 ASN HN 3.00 (# 707:10 Unique 2.85, 2.85 A)
&rst
ixpk= 707, nxpk= 10, iat= 696, 694, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 41 LEU HA 45 ASN HN 5.00 (# 708:10 Unique 3.92, 3.92 A)
&rst
ixpk= 708, nxpk= 10, iat= 631, 694, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 44 PHE HA 45 ASN HN 4.00 (# 709:10 Unique 3.59, 3.59 A)
&rst
ixpk= 709, nxpk= 10, iat= 676, 694, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 44 PHE HB+ 45 ASN HN 3.00 (# 710:10 Unique 2.56, 3.26 A)
&rst
ixpk= 710, nxpk= 10, iat= -1, 694, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 678, 679,
&end
#
# 45 ASN HB+ 45 ASN HN 3.00 (# 711:10 Unique 2.30, 2.95 A)
&rst
ixpk= 711, nxpk= 10, iat= -1, 694, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 698, 699,
&end
#
# 45 ASN HB- 45 ASN HN 3.00 (# 712:10 Unique 2.30, 2.95 A)
&rst
ixpk= 712, nxpk= 10, iat= -1, 694, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 698, 699,
&end
#
# 0 AMB 10-2:713 45 ASN HN 5.00 (# 713:10 Single Ambig)
&rst
ixpk= 713, nxpk= 10, iat= -1, 694, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 764, 765, 766, 870, 871, 867, 868,
&end
#
# 0 AMB 10-2:714 45 ASN HN 6.00 (# 714:10 Single Ambig)
&rst
ixpk= 714, nxpk= 10, iat= -1, 694, r1= 1.30, r2= 1.80, r3= 9.20, r4= 9.70,
igr1= 712, 713, 731,1219,1220, 870, 871, 886, 887, 888,
890, 891, 892,
&end
#
# 0 AMB 10-2:715 45 ASN HN 5.00 (# 715:10 Single Ambig)
&rst
ixpk= 715, nxpk= 10, iat= -1, 694, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 633, 634, 636,1275,1276,
&end
#
# 46 LEU HB- 45 ASN HN 6.00 (# 716:10 Unique 4.75, 5.51 A)
&rst
ixpk= 716, nxpk= 10, iat= -1, 694, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 712, 713,
&end
#
# 0 AMB 10-2:717 45 ASN HN 5.00 (# 717:10 Single Ambig)
&rst
ixpk= 717, nxpk= 10, iat= -1, 694, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 747, 748, 749, 733, 734, 735, 737, 738, 739,1176,
1177,1178,1180,1181,1182,
&end
#
# 41 LEU HN 43 ASP HN 6.00 (# 719:10 Unique 4.51, 4.51 A)
&rst
ixpk= 719, nxpk= 10, iat= 629, 662, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:720 43 ASP HN 6.00 (# 720:10 Single Ambig)
&rst
ixpk= 720, nxpk= 10, iat= -1, 662, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 712, 713, 715, 881, 882,
&end
#
# 46 LEU MDX 43 ASP HN 4.00 (# 721:10 Unique 4.57, 6.68 A)
&rst
ixpk= 721, nxpk= 10, iat= -1, 662, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 717, 718, 719, 721, 722, 723,
&end
#
# 0 AMB 10-2:722 45 ASN HN 5.00 (# 722:10 Single Ambig)
&rst
ixpk= 722, nxpk= 10, iat= -1, 694, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 727, 657, 658,
&end
#
# 44 PHE HN 43 ASP HN 3.00 (# 723:10 Unique 2.78, 2.78 A)
&rst
ixpk= 723, nxpk= 10, iat= 674, 662, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 40 THR HB 43 ASP HN 5.00 (# 725:10 Unique 2.35, 2.35 A)
&rst
ixpk= 725, nxpk= 10, iat= 619, 662, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 43 ASP HA 43 ASP HN 3.00 (# 726:10 Unique 2.85, 2.85 A)
&rst
ixpk= 726, nxpk= 10, iat= 664, 662, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:727 43 ASP HN 6.00 (# 727:10 Single Ambig)
&rst
ixpk= 727, nxpk= 10, iat= -1, 662, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 631, 605,
&end
#
# 44 PHE HA 43 ASP HN 6.00 (# 728:10 Preassigned 5.41, 5.41 A)
&rst
ixpk= 728, nxpk= 10, iat= 676, 662, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 44 PHE HB- 43 ASP HN 5.00 (# 729:10 Unique 4.70, 5.00 A)
&rst
ixpk= 729, nxpk= 10, iat= -1, 662, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 678, 679,
&end
#
# 43 ASP HB- 43 ASP HN 3.00 (# 730:10 Unique 2.41, 2.54 A)
&rst
ixpk= 730, nxpk= 10, iat= -1, 662, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 666, 667,
&end
#
# 0 AMB 10-2:731 43 ASP HN 5.00 (# 731:10 Single Ambig)
&rst
ixpk= 731, nxpk= 10, iat= -1, 662, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 633, 634, 636,1275,1276,1171,1172,
&end
#
# 40 THR MG2 43 ASP HN 5.00 (# 732:10 Unique 4.52, 4.84 A)
&rst
ixpk= 732, nxpk= 10, iat= -1, 662, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 621, 622, 623,
&end
#
# 105 PHE HN 104 GLU HN 4.00 (# 733:10 Unique 2.74, 2.74 A)
&rst
ixpk= 733, nxpk= 10, iat=1604,1589, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 62 ASP HN 61 VAL HN 4.00 (# 735:10 Unique 2.92, 2.92 A)
&rst
ixpk= 735, nxpk= 10, iat= 973, 957, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 60 HIS HN 61 VAL HN 4.00 (# 737:10 Unique 2.75, 2.75 A)
&rst
ixpk= 737, nxpk= 10, iat= 939, 957, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:738 61 VAL HN 5.00 (# 738:10 Single Ambig)
&rst
ixpk= 738, nxpk= 10, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 941, 929, 975,
&end
#
# 58 GLN HA 61 VAL HN 4.00 (# 739:10 Unique 3.44, 3.44 A)
&rst
ixpk= 739, nxpk= 10, iat= 912, 957, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 60 HIS HB+ 61 VAL HN 4.00 (# 740:10 Unique 2.36, 2.94 A)
&rst
ixpk= 740, nxpk= 10, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 943, 944,
&end
#
# 61 VAL HA 61 VAL HN 4.00 (# 741:10 Unique 2.87, 2.87 A)
&rst
ixpk= 741, nxpk= 10, iat= 959, 957, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 60 HIS HB- 61 VAL HN 4.00 (# 742:10 Unique 2.36, 2.94 A)
&rst
ixpk= 742, nxpk= 10, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 943, 944,
&end
#
# 61 VAL HB 61 VAL HN 3.00 (# 743:10 Unique 2.23, 2.23 A)
&rst
ixpk= 743, nxpk= 10, iat= 961, 957, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:744 61 VAL HN 6.00 (# 744:10 Single Ambig)
&rst
ixpk= 744, nxpk= 10, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 989, 914, 915, 265, 266,
&end
#
# 0 AMB 10-2:745 61 VAL HN 6.00 (# 745:10 Single Ambig)
&rst
ixpk= 745, nxpk= 10, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 914, 915,1008,1009,1155,
&end
#
# 0 AMB 10-2:746 61 VAL HN 6.00 (# 746:10 Single Ambig)
&rst
ixpk= 746, nxpk= 10, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 886, 887, 888, 890, 891, 892, 881, 882,
&end
#
# 0 AMB 10-2:747 61 VAL HN 6.00 (# 747:10 Single Ambig)
&rst
ixpk= 747, nxpk= 10, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1157,1158,1159,1161,1162,1163, 995, 996,
&end
#
# 0 AMB 10-2:748 61 VAL HN 3.00 (# 748:10 Single Ambig)
&rst
ixpk= 748, nxpk= 10, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 963, 964, 965, 967, 968, 969, 963, 964, 965, 967,
968, 969,
&end
#
# 0 AMB 10-2:749 61 VAL HN 5.00 (# 749:10 Single Ambig)
&rst
ixpk= 749, nxpk= 10, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 884, 638, 639, 640, 642, 643, 644,
&end
#
# 56 LEU MDX 61 VAL HN 6.00 (# 750:10 Unique 4.41, 5.20 A)
&rst
ixpk= 750, nxpk= 10, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 886, 887, 888, 890, 891, 892,
&end
#
# 102 GLU HB+ 104 GLU HN 6.00 (# 751:10 Unique 2.97, 3.45 A)
&rst
ixpk= 751, nxpk= 10, iat= -1,1589, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1566,1567,
&end
#
# 103 ASP HN 104 GLU HN 3.00 (# 752:10 Unique 2.28, 2.28 A)
&rst
ixpk= 752, nxpk= 10, iat=1577,1589, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 103 ASP HA 104 GLU HN 5.00 (# 753:10 Unique 2.99, 2.99 A)
&rst
ixpk= 753, nxpk= 10, iat=1579,1589, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 104 GLU HA 104 GLU HN 4.00 (# 754:10 Unique 2.95, 2.95 A)
&rst
ixpk= 754, nxpk= 10, iat=1591,1589, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 102 GLU HA 104 GLU HN 5.00 (# 755:10 Unique 4.03, 4.03 A)
&rst
ixpk= 755, nxpk= 10, iat=1564,1589, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:756 104 GLU HN 6.00 (# 756:10 Single Ambig)
&rst
ixpk= 756, nxpk= 10, iat= -1,1589, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1581,1582,1608,1609,
&end
#
# 103 ASP HB- 104 GLU HN 6.00 (# 757:10 Unique 4.49, 4.51 A)
&rst
ixpk= 757, nxpk= 10, iat= -1,1589, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1581,1582,
&end
#
# 0 AMB 10-2:758 104 GLU HN 4.00 (# 758:10 Single Ambig)
&rst
ixpk= 758, nxpk= 10, iat= -1,1589, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1569,1570,1528,
&end
#
# 0 AMB 10-2:759 104 GLU HN 3.00 (# 759:10 Single Ambig)
&rst
ixpk= 759, nxpk= 10, iat= -1,1589, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1593,1594,1596,1597,
&end
#
# 104 GLU HB- 104 GLU HN 4.00 (# 760:10 Unique 2.42, 3.02 A)
&rst
ixpk= 760, nxpk= 10, iat= -1,1589, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1593,1594,
&end
#
# 90 MET HN 91 ASN HN 5.00 (# 761:10 Unique 2.66, 2.66 A)
&rst
ixpk= 761, nxpk= 10, iat=1378,1395, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:763 91 ASN HN 3.00 (# 763:10 Single Ambig)
&rst
ixpk= 763, nxpk= 10, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1397,1373,1374,
&end
#
# 0 AMB 10-2:764 91 ASN HN 6.00 (# 764:10 Single Ambig)
&rst
ixpk= 764, nxpk= 10, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1373,1374,1411,1412,
&end
#
# 91 ASN HB+ 91 ASN HN 5.00 (# 765:10 Unique 2.97, 3.31 A)
&rst
ixpk= 765, nxpk= 10, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1399,1400,
&end
#
# 0 AMB 10-2:766 91 ASN HN 4.00 (# 766:10 Single Ambig)
&rst
ixpk= 766, nxpk= 10, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1399,1400,1382,1383,
&end
#
# 0 AMB 10-2:767 91 ASN HN 6.00 (# 767:10 Single Ambig)
&rst
ixpk= 767, nxpk= 10, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1=1385,1386,1389,1390,1391,
&end
#
# 117 VAL HN 118 THR HN 5.00 (# 768:10 Unique 4.57, 4.57 A)
&rst
ixpk= 768, nxpk= 10, iat=1786,1802, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 118 THR HA 118 THR HN 4.00 (# 770:10 Unique 2.78, 2.78 A)
&rst
ixpk= 770, nxpk= 10, iat=1804,1802, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 117 VAL HB 118 THR HN 5.00 (# 772:10 Unique 3.71, 3.71 A)
&rst
ixpk= 772, nxpk= 10, iat=1790,1802, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 118 THR MG2 118 THR HN 5.00 (# 773:10 Unique 2.35, 3.20 A)
&rst
ixpk= 773, nxpk= 10, iat= -1,1802, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1808,1809,1810,
&end
#
# 117 VAL MGX 118 THR HN 5.00 (# 774:10 Unique 2.24, 3.78 A)
&rst
ixpk= 774, nxpk= 10, iat= -1,1802, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1792,1793,1794,1796,1797,1798,
&end
#
# 78 MET HA 79 CYS HN 5.00 (# 775:10 Unique 3.55, 3.55 A)
&rst
ixpk= 775, nxpk= 10, iat=1200,1215, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 114 CYS HB- 113 GLN HN 6.00 (# 776:10 Unique 5.20, 5.85 A)
&rst
ixpk= 776, nxpk= 10, iat= -1,1740, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1761,1762,
&end
#
# 69 ALA HN 67 LEU HN 6.00 (# 777:10 Unique 3.92, 3.92 A)
&rst
ixpk= 777, nxpk= 10, iat=1074,1044, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 68 SER HN 67 LEU HN 3.00 (# 778:10 Unique 2.61, 2.61 A)
&rst
ixpk= 778, nxpk= 10, iat=1063,1044, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 66 PRO HA 67 LEU HN 5.00 (# 779:10 Unique 3.61, 3.61 A)
&rst
ixpk= 779, nxpk= 10, iat=1040,1044, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:780 67 LEU HN 4.00 (# 780:10 Single Ambig)
&rst
ixpk= 780, nxpk= 10, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1006,1025,1026,1065,
&end
#
# 0 AMB 10-2:781 67 LEU HN 3.00 (# 781:10 Single Ambig)
&rst
ixpk= 781, nxpk= 10, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1046,1025,1026,
&end
#
# 66 PRO HD- 67 LEU HN 5.00 (# 782:10 Unique 2.85, 3.48 A)
&rst
ixpk= 782, nxpk= 10, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1031,1032,
&end
#
# 66 PRO HB+ 67 LEU HN 5.00 (# 783:10 Unique 2.88, 3.53 A)
&rst
ixpk= 783, nxpk= 10, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1037,1038,
&end
#
# 66 PRO HG+ 67 LEU HN 5.00 (# 784:10 Unique 4.36, 4.58 A)
&rst
ixpk= 784, nxpk= 10, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1034,1035,
&end
#
# 0 AMB 10-2:785 67 LEU HN 5.00 (# 785:10 Single Ambig)
&rst
ixpk= 785, nxpk= 10, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1008,1009,1034,1035,1088,1089,
&end
#
# 66 PRO HB- 67 LEU HN 4.00 (# 786:10 Unique 2.88, 3.53 A)
&rst
ixpk= 786, nxpk= 10, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1037,1038,
&end
#
# 67 LEU HG 67 LEU HN 5.00 (# 787:10 Unique 2.43, 2.43 A)
&rst
ixpk= 787, nxpk= 10, iat=1051,1044, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 67 LEU HB+ 67 LEU HN 3.00 (# 788:10 Unique 2.45, 3.05 A)
&rst
ixpk= 788, nxpk= 10, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1048,1049,
&end
#
# 67 LEU MDX 67 LEU HN 5.00 (# 789:10 Preassigned 3.83, 4.47 A)
&rst
ixpk= 789, nxpk= 10, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1053,1054,1055,1057,1058,1059,
&end
#
# 67 LEU HB- 67 LEU HN 3.00 (# 790:10 Unique 2.45, 3.05 A)
&rst
ixpk= 790, nxpk= 10, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1048,1049,
&end
#
# 0 AMB 10-2:791 79 CYS HN 5.00 (# 791:10 Single Ambig)
&rst
ixpk= 791, nxpk= 10, iat= -1,1215, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1167,1151,
&end
#
# 82 LEU HN 79 CYS HN 6.00 (# 792:10 Unique 4.77, 4.77 A)
&rst
ixpk= 792, nxpk= 10, iat=1246,1215, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 78 MET HN 79 CYS HN 4.00 (# 793:10 Unique 2.81, 2.81 A)
&rst
ixpk= 793, nxpk= 10, iat=1198,1215, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 80 ALA HN 79 CYS HN 4.00 (# 794:10 Unique 2.85, 2.85 A)
&rst
ixpk= 794, nxpk= 10, iat=1226,1215, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 81 ALA HN 79 CYS HN 6.00 (# 795:10 Unique 4.20, 4.20 A)
&rst
ixpk= 795, nxpk= 10, iat=1236,1215, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:796 79 CYS HN 6.00 (# 796:10 Single Ambig)
&rst
ixpk= 796, nxpk= 10, iat= -1,1215, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr1= 682, 690, 684, 688, 341, 350,1287,
&end
#
# 0 AMB 10-2:797 79 CYS HN 6.00 (# 797:10 Single Ambig)
&rst
ixpk= 797, nxpk= 10, iat= -1,1215, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1188, 589,
&end
#
# 75 VAL HA 79 CYS HN 5.00 (# 798:10 Unique 3.77, 3.77 A)
&rst
ixpk= 798, nxpk= 10, iat=1153,1215, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 76 LEU HA 79 CYS HN 4.00 (# 799:10 Unique 3.48, 3.48 A)
&rst
ixpk= 799, nxpk= 10, iat=1169,1215, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 79 CYS HA 79 CYS HN 4.00 (# 800:10 Unique 2.83, 2.83 A)
&rst
ixpk= 800, nxpk= 10, iat=1217,1215, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 79 CYS HB+ 79 CYS HN 3.00 (# 801:10 Unique 2.42, 3.01 A)
&rst
ixpk= 801, nxpk= 10, iat= -1,1215, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1219,1220,
&end
#
# 78 MET HB+ 79 CYS HN 4.00 (# 802:10 Unique 2.89, 3.46 A)
&rst
ixpk= 802, nxpk= 10, iat= -1,1215, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1202,1203,
&end
#
# 79 CYS HB- 79 CYS HN 3.00 (# 803:10 Unique 2.42, 3.01 A)
&rst
ixpk= 803, nxpk= 10, iat= -1,1215, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1219,1220,
&end
#
# 80 ALA MB 79 CYS HN 5.00 (# 804:10 Preassigned 4.99, 5.53 A)
&rst
ixpk= 804, nxpk= 10, iat= -1,1215, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1230,1231,1232,
&end
#
# 0 AMB 10-2:805 79 CYS HN 5.00 (# 805:10 Single Ambig)
&rst
ixpk= 805, nxpk= 10, iat= -1,1215, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 607, 608, 609, 593, 594, 595,1132,1133,
&end
#
# 0 AMB 10-2:806 79 CYS HN 4.00 (# 806:10 Single Ambig)
&rst
ixpk= 806, nxpk= 10, iat= -1,1215, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1157,1158,1159,1161,1162,1163,1013,1014,1015,1017,
1018,1019, 963, 964, 965, 967, 968, 969,
&end
#
# 0 AMB 10-2:807 79 CYS HN 5.00 (# 807:10 Single Ambig)
&rst
ixpk= 807, nxpk= 10, iat= -1,1215, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 270, 271, 272, 274, 275, 276,1176,1177,1178,1180,
1181,1182,
&end
#
# 77 ASP HN 79 CYS HN 5.00 (# 808:10 Unique 4.01, 4.01 A)
&rst
ixpk= 808, nxpk= 10, iat=1186,1215, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 112 ARG HD+ 113 GLN HN 6.00 (# 809:10 Preassigned 5.48, 6.01 A)
&rst
ixpk= 809, nxpk= 10, iat= -1,1740, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1726,1727,
&end
#
# 112 ARG HN 113 GLN HN 6.00 (# 811:10 Unique 2.79, 2.79 A)
&rst
ixpk= 811, nxpk= 10, iat=1716,1740, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 114 CYS HA 113 GLN HN 6.00 (# 813:10 Preassigned 5.47, 5.47 A)
&rst
ixpk= 813, nxpk= 10, iat=1759,1740, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 113 GLN HA 113 GLN HN 4.00 (# 814:10 Unique 2.83, 2.83 A)
&rst
ixpk= 814, nxpk= 10, iat=1742,1740, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 112 ARG HA 113 GLN HN 6.00 (# 815:10 Unique 3.59, 3.59 A)
&rst
ixpk= 815, nxpk= 10, iat=1718,1740, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 113 GLN HG+ 113 GLN HN 4.00 (# 817:10 Unique 2.41, 3.01 A)
&rst
ixpk= 817, nxpk= 10, iat= -1,1740, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1747,1748,
&end
#
# 113 GLN HB+ 113 GLN HN 4.00 (# 818:10 Unique 2.43, 3.02 A)
&rst
ixpk= 818, nxpk= 10, iat= -1,1740, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1744,1745,
&end
#
# 0 AMB 10-2:819 113 GLN HN 6.00 (# 819:10 Single Ambig)
&rst
ixpk= 819, nxpk= 10, iat= -1,1740, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1720,1721,1720,1721,
&end
#
# 112 ARG HG- 113 GLN HN 6.00 (# 820:10 Unique 4.73, 4.90 A)
&rst
ixpk= 820, nxpk= 10, iat= -1,1740, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1723,1724,
&end
#
# 22 LEU HN 23 TYR HN 3.00 (# 821:10 Unique 2.91, 2.91 A)
&rst
ixpk= 821, nxpk= 10, iat= 314, 333, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 23 TYR HD 23 TYR HN 4.00 (# 822:10 Unique 2.92, 3.75 A)
&rst
ixpk= 822, nxpk= 10, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 341, 350,
&end
#
# 23 TYR HE 23 TYR HN 6.00 (# 823:10 Unique 5.01, 5.57 A)
&rst
ixpk= 823, nxpk= 10, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 343, 348,
&end
#
# 0 AMB 10-2:824 23 TYR HN 3.00 (# 824:10 Single Ambig)
&rst
ixpk= 824, nxpk= 10, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 335, 282,
&end
#
# 0 AMB 10-2:825 23 TYR HN 4.00 (# 825:10 Single Ambig)
&rst
ixpk= 825, nxpk= 10, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 316, 294, 295,
&end
#
# 23 TYR HB+ 23 TYR HN 3.00 (# 826:10 Unique 2.37, 2.97 A)
&rst
ixpk= 826, nxpk= 10, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 337, 338,
&end
#
# 23 TYR HB- 23 TYR HN 4.00 (# 827:10 Unique 2.37, 2.97 A)
&rst
ixpk= 827, nxpk= 10, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 337, 338,
&end
#
# 22 LEU HB+ 23 TYR HN 4.00 (# 828:10 Unique 2.66, 3.05 A)
&rst
ixpk= 828, nxpk= 10, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 318, 319,
&end
#
# 22 LEU HB- 23 TYR HN 3.00 (# 829:10 Unique 2.66, 3.05 A)
&rst
ixpk= 829, nxpk= 10, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 318, 319,
&end
#
# 0 AMB 10-2:830 23 TYR HN 6.00 (# 830:10 Single Ambig)
&rst
ixpk= 830, nxpk= 10, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1048,1049, 251, 252, 253, 255, 256, 257,1132,1133,
1547,1548,
&end
#
# 27 ILE QD1 23 TYR HN 6.00 (# 832:10 Preassigned 5.76, 6.66 A)
&rst
ixpk= 832, nxpk= 10, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 403, 404, 405,
&end
#
# 22 LEU MDX 23 TYR HN 6.00 (# 833:10 Unique 5.23, 5.82 A)
&rst
ixpk= 833, nxpk= 10, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 323, 324, 325, 327, 328, 329,
&end
#
# 19 LEU HB- 23 TYR HN 6.00 (# 834:10 Unique 4.91, 5.32 A)
&rst
ixpk= 834, nxpk= 10, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 265, 266,
&end
#
# 99 THR HN 100 ILE HN 3.00 (# 835:10 Unique 2.50, 2.50 A)
&rst
ixpk= 835, nxpk= 10, iat=1510,1524, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 98 SER HA 100 ILE HN 4.00 (# 836:10 Unique 3.66, 3.66 A)
&rst
ixpk= 836, nxpk= 10, iat=1501,1524, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 99 THR HB 100 ILE HN 4.00 (# 837:10 Unique 4.20, 4.20 A)
&rst
ixpk= 837, nxpk= 10, iat=1514,1524, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 90 MET ME 100 ILE HN 5.00 (# 838:10 Unique 3.23, 3.82 A)
&rst
ixpk= 838, nxpk= 10, iat= -1,1524, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1389,1390,1391,
&end
#
# 0 AMB 10-2:839 100 ILE HN 4.00 (# 839:10 Single Ambig)
&rst
ixpk= 839, nxpk= 10, iat= -1,1524, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1528,1569,1570,1458,
&end
#
# 99 THR MG2 100 ILE HN 5.00 (# 840:10 Unique 4.69, 5.18 A)
&rst
ixpk= 840, nxpk= 10, iat= -1,1524, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1516,1517,1518,
&end
#
# 100 ILE HG1- 100 ILE HN 4.00 (# 841:10 Unique 2.42, 2.61 A)
&rst
ixpk= 841, nxpk= 10, iat= -1,1524, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1534,1535,
&end
#
# 100 ILE HG1+ 100 ILE HN 3.00 (# 842:10 Unique 2.42, 2.61 A)
&rst
ixpk= 842, nxpk= 10, iat= -1,1524, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1534,1535,
&end
#
# 0 AMB 10-2:843 19 LEU HN 6.00 (# 843:10 Single Ambig)
&rst
ixpk= 843, nxpk= 10, iat= -1, 261, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
igr1=1255,1256,1257,1259,1260,1261,1013,1014,1015,1017,
1018,1019, 219, 221, 222, 223, 225, 226, 227,
&end
#
# 19 LEU HN 17 ASN HN 6.00 (# 844:10 Unique 4.02, 4.02 A)
&rst
ixpk= 844, nxpk= 10, iat= 261, 231, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 17 ASN HD2+ 17 ASN HN 6.00 (# 846:10 Unique 4.63, 4.77 A)
&rst
ixpk= 846, nxpk= 10, iat= -1, 231, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 240, 241,
&end
#
# 0 AMB 10-2:847 17 ASN HN 5.00 (# 847:10 Single Ambig)
&rst
ixpk= 847, nxpk= 10, iat= -1, 231, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 216, 217, 251, 252, 253, 255, 256, 257,
&end
#
# 78 MET HN 76 LEU HN 6.00 (# 848:10 Unique 4.25, 4.25 A)
&rst
ixpk= 848, nxpk= 10, iat=1198,1167, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 77 ASP HN 76 LEU HN 4.00 (# 849:10 Unique 2.68, 2.68 A)
&rst
ixpk= 849, nxpk= 10, iat=1186,1167, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 38 THR HA 76 LEU HN 6.00 (# 850:10 Unique 6.15, 6.15 A)
&rst
ixpk= 850, nxpk= 10, iat= 589,1167, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 75 VAL HA 76 LEU HN 5.00 (# 851:10 Unique 3.55, 3.55 A)
&rst
ixpk= 851, nxpk= 10, iat=1153,1167, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 76 LEU HA 76 LEU HN 4.00 (# 852:10 Unique 2.86, 2.86 A)
&rst
ixpk= 852, nxpk= 10, iat=1169,1167, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 75 VAL HB 76 LEU HN 4.00 (# 853:10 Unique 2.94, 2.94 A)
&rst
ixpk= 853, nxpk= 10, iat=1155,1167, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 76 LEU HB+ 76 LEU HN 3.00 (# 854:10 Unique 2.15, 2.85 A)
&rst
ixpk= 854, nxpk= 10, iat= -1,1167, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1171,1172,
&end
#
# 74 ALA MB 76 LEU HN 4.00 (# 855:10 Unique 2.80, 3.56 A)
&rst
ixpk= 855, nxpk= 10, iat= -1,1167, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1145,1146,1147,
&end
#
# 75 VAL MGY 76 LEU HN 5.00 (# 856:10 Unique 3.98, 4.78 A)
&rst
ixpk= 856, nxpk= 10, iat= -1,1167, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1157,1158,1159,1161,1162,1163,
&end
#
# 76 LEU MDX 76 LEU HN 5.00 (# 857:10 Unique 2.25, 3.73 A)
&rst
ixpk= 857, nxpk= 10, iat= -1,1167, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1176,1177,1178,1180,1181,1182,
&end
#
# 20 ALA HN 19 LEU HN 4.00 (# 859:10 Unique 2.82, 2.82 A)
&rst
ixpk= 859, nxpk= 10, iat= 280, 261, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 18 VAL HN 19 LEU HN 4.00 (# 860:10 Unique 2.73, 2.73 A)
&rst
ixpk= 860, nxpk= 10, iat= 245, 261, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 17 ASN HN 19 LEU HN 6.00 (# 861:10 Unique 4.02, 4.02 A)
&rst
ixpk= 861, nxpk= 10, iat= 231, 261, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 19 LEU HA 19 LEU HN 4.00 (# 862:10 Unique 2.85, 2.85 A)
&rst
ixpk= 862, nxpk= 10, iat= 263, 261, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 16 LEU HA 19 LEU HN 5.00 (# 863:10 Unique 3.94, 3.94 A)
&rst
ixpk= 863, nxpk= 10, iat= 214, 261, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:864 19 LEU HN 5.00 (# 864:10 Single Ambig)
&rst
ixpk= 864, nxpk= 10, iat= -1, 261, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 200, 294, 295,1217,
&end
#
# 19 LEU HB- 19 LEU HN 3.00 (# 865:10 Unique 2.42, 3.01 A)
&rst
ixpk= 865, nxpk= 10, iat= -1, 261, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 265, 266,
&end
#
# 19 LEU HG 19 LEU HN 3.00 (# 866:10 Unique 2.30, 2.30 A)
&rst
ixpk= 866, nxpk= 10, iat= 268, 261, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 20 ALA MB 19 LEU HN 6.00 (# 867:10 Preassigned 4.96, 5.50 A)
&rst
ixpk= 867, nxpk= 10, iat= -1, 261, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 284, 285, 286,
&end
#
# 19 LEU HB+ 19 LEU HN 3.00 (# 868:10 Unique 2.42, 3.01 A)
&rst
ixpk= 868, nxpk= 10, iat= -1, 261, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 265, 266,
&end
#
# 0 AMB 10-2:869 19 LEU HN 3.00 (# 869:10 Single Ambig)
&rst
ixpk= 869, nxpk= 10, iat= -1, 261, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 270, 271, 272, 274, 275, 276, 270, 271, 272, 274,
275, 276,
&end
#
# 69 ALA HN 68 SER HN 4.00 (# 870:10 Unique 2.88, 2.88 A)
&rst
ixpk= 870, nxpk= 10, iat=1074,1063, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 23 TYR HE 68 SER HN 6.00 (# 871:10 Unique 4.61, 4.73 A)
&rst
ixpk= 871, nxpk= 10, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 343, 348,
&end
#
# 0 AMB 10-2:872 68 SER HN 4.00 (# 872:10 Single Ambig)
&rst
ixpk= 872, nxpk= 10, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr1=1053,1054,1055,1057,1058,1059,1157,1158,1159,1161,
1162,1163,1013,1014,1015,1017,1018,1019, 963, 964,
965, 967, 968, 969, 400, 401,
&end
#
# 16 LEU HN 17 ASN HN 4.00 (# 873:10 Unique 2.95, 2.95 A)
&rst
ixpk= 873, nxpk= 10, iat= 212, 231, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 15 THR HN 17 ASN HN 6.00 (# 874:10 Unique 4.21, 4.21 A)
&rst
ixpk= 874, nxpk= 10, iat= 198, 231, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 18 VAL HN 17 ASN HN 4.00 (# 875:10 Unique 2.57, 2.57 A)
&rst
ixpk= 875, nxpk= 10, iat= 245, 231, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 17 ASN HA 17 ASN HN 4.00 (# 876:10 Unique 2.92, 2.92 A)
&rst
ixpk= 876, nxpk= 10, iat= 233, 231, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 16 LEU HA 17 ASN HN 5.00 (# 877:10 Unique 3.58, 3.58 A)
&rst
ixpk= 877, nxpk= 10, iat= 214, 231, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:878 17 ASN HN 3.00 (# 878:10 Single Ambig)
&rst
ixpk= 878, nxpk= 10, iat= -1, 231, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 235, 236, 235, 236,
&end
#
# 18 VAL HB 17 ASN HN 6.00 (# 879:10 Unique 5.13, 5.13 A)
&rst
ixpk= 879, nxpk= 10, iat= 249, 231, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 14 ILE HB 17 ASN HN 5.00 (# 880:10 Unique 3.45, 3.45 A)
&rst
ixpk= 880, nxpk= 10, iat= 183, 231, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 16 LEU HB+ 17 ASN HN 4.00 (# 881:10 Unique 2.63, 3.26 A)
&rst
ixpk= 881, nxpk= 10, iat= -1, 231, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 216, 217,
&end
#
# 14 ILE QG2 17 ASN HN 3.00 (# 882:10 Unique 1.99, 3.08 A)
&rst
ixpk= 882, nxpk= 10, iat= -1, 231, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 185, 186, 187,
&end
#
# 79 CYS HB+ 76 LEU HN 6.00 (# 883:10 Unique 5.07, 5.87 A)
&rst
ixpk= 883, nxpk= 10, iat= -1,1167, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1219,1220,
&end
#
# 76 LEU MDY 76 LEU HN 4.00 (# 884:10 Unique 2.25, 3.73 A)
&rst
ixpk= 884, nxpk= 10, iat= -1,1167, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1176,1177,1178,1180,1181,1182,
&end
#
# 18 VAL HA 19 LEU HN 5.00 (# 885:10 Unique 3.59, 3.59 A)
&rst
ixpk= 885, nxpk= 10, iat= 247, 261, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 67 LEU HN 68 SER HN 3.00 (# 886:10 Unique 2.61, 2.61 A)
&rst
ixpk= 886, nxpk= 10, iat=1044,1063, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:887 68 SER HN 3.00 (# 887:10 Single Ambig)
&rst
ixpk= 887, nxpk= 10, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1065,1025,1026,
&end
#
# 68 SER HB+ 68 SER HN 3.00 (# 888:10 Unique 2.68, 3.11 A)
&rst
ixpk= 888, nxpk= 10, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1067,1068,
&end
#
# 67 LEU HB+ 68 SER HN 4.00 (# 890:10 Unique 2.32, 2.86 A)
&rst
ixpk= 890, nxpk= 10, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1048,1049,
&end
#
# 67 LEU HB- 68 SER HN 4.00 (# 891:10 Unique 2.32, 2.86 A)
&rst
ixpk= 891, nxpk= 10, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1048,1049,
&end
#
# 60 HIS HN 59 ASP HN 3.00 (# 893:10 Unique 2.74, 2.74 A)
&rst
ixpk= 893, nxpk= 10, iat= 939, 927, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 58 GLN HN 59 ASP HN 5.00 (# 894:10 Unique 2.88, 2.88 A)
&rst
ixpk= 894, nxpk= 10, iat= 910, 927, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 57 THR HB 59 ASP HN 4.00 (# 896:10 Unique 2.65, 2.65 A)
&rst
ixpk= 896, nxpk= 10, iat= 900, 927, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 59 ASP HA 59 ASP HN 3.00 (# 897:10 Unique 2.88, 2.88 A)
&rst
ixpk= 897, nxpk= 10, iat= 929, 927, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 60 HIS HB+ 59 ASP HN 6.00 (# 898:10 Unique 4.62, 5.43 A)
&rst
ixpk= 898, nxpk= 10, iat= -1, 927, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 943, 944,
&end
#
# 59 ASP HB+ 59 ASP HN 4.00 (# 899:10 Unique 2.47, 2.53 A)
&rst
ixpk= 899, nxpk= 10, iat= -1, 927, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 931, 932,
&end
#
# 59 ASP HB- 59 ASP HN 3.00 (# 900:10 Unique 2.47, 2.53 A)
&rst
ixpk= 900, nxpk= 10, iat= -1, 927, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 931, 932,
&end
#
# 58 GLN HB+ 59 ASP HN 4.00 (# 901:10 Unique 2.84, 3.47 A)
&rst
ixpk= 901, nxpk= 10, iat= -1, 927, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 914, 915,
&end
#
# 58 GLN HB- 59 ASP HN 4.00 (# 902:10 Unique 2.84, 3.47 A)
&rst
ixpk= 902, nxpk= 10, iat= -1, 927, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 914, 915,
&end
#
# 65 GLY HN 64 LEU HN 4.00 (# 904:10 Unique 2.71, 2.71 A)
&rst
ixpk= 904, nxpk= 10, iat=1023,1004, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:905 64 LEU HN 5.00 (# 905:10 Single Ambig)
&rst
ixpk= 905, nxpk= 10, iat= -1,1004, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 975, 929,
&end
#
# 64 LEU HA 64 LEU HN 3.00 (# 906:10 Unique 2.89, 2.89 A)
&rst
ixpk= 906, nxpk= 10, iat=1006,1004, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:907 64 LEU HN 4.00 (# 907:10 Single Ambig)
&rst
ixpk= 907, nxpk= 10, iat= -1,1004, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 987,1031,1032,
&end
#
# 61 VAL HA 64 LEU HN 5.00 (# 908:10 Unique 3.55, 3.55 A)
&rst
ixpk= 908, nxpk= 10, iat= 959,1004, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 63 ILE HB 64 LEU HN 4.00 (# 909:10 Unique 2.95, 2.95 A)
&rst
ixpk= 909, nxpk= 10, iat= 989,1004, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 64 LEU HB+ 64 LEU HN 3.00 (# 910:10 Unique 2.40, 3.02 A)
&rst
ixpk= 910, nxpk= 10, iat= -1,1004, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1008,1009,
&end
#
# 64 LEU HG 64 LEU HN 3.00 (# 911:10 Unique 2.42, 2.42 A)
&rst
ixpk= 911, nxpk= 10, iat=1011,1004, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:912 64 LEU HN 5.00 (# 912:10 Single Ambig)
&rst
ixpk= 912, nxpk= 10, iat= -1,1004, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1157,1158,1159,1161,1162,1163, 995, 996,
&end
#
# 0 AMB 10-2:913 64 LEU HN 4.00 (# 913:10 Single Ambig)
&rst
ixpk= 913, nxpk= 10, iat= -1,1004, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1=1013,1014,1015,1017,1018,1019, 998, 999,1000, 963,
964, 965, 967, 968, 969,
&end
#
# 63 ILE HN 64 LEU HN 4.00 (# 914:10 Unique 2.83, 2.83 A)
&rst
ixpk= 914, nxpk= 10, iat= 985,1004, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 64 LEU HB- 64 LEU HN 4.00 (# 915:10 Unique 2.40, 3.02 A)
&rst
ixpk= 915, nxpk= 10, iat= -1,1004, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1008,1009,
&end
#
# 56 LEU HN 57 THR HN 6.00 (# 916:10 Unique 4.68, 4.68 A)
&rst
ixpk= 916, nxpk= 10, iat= 877, 896, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 60 HIS HN 57 THR HN 6.00 (# 917:10 Unique 3.10, 3.10 A)
&rst
ixpk= 917, nxpk= 10, iat= 939, 896, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 56 LEU HA 57 THR HN 3.00 (# 918:10 Unique 2.38, 2.38 A)
&rst
ixpk= 918, nxpk= 10, iat= 879, 896, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 57 THR HA 57 THR HN 5.00 (# 919:10 Unique 2.97, 2.97 A)
&rst
ixpk= 919, nxpk= 10, iat= 898, 896, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 57 THR HB 57 THR HN 6.00 (# 920:10 Unique 3.92, 3.92 A)
&rst
ixpk= 920, nxpk= 10, iat= 900, 896, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:921 57 THR HN 6.00 (# 921:10 Single Ambig)
&rst
ixpk= 921, nxpk= 10, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 941, 873, 929,
&end
#
# 60 HIS HB+ 57 THR HN 4.00 (# 922:10 Unique 2.02, 2.71 A)
&rst
ixpk= 922, nxpk= 10, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 943, 944,
&end
#
# 60 HIS HB- 57 THR HN 5.00 (# 923:10 Unique 2.02, 2.71 A)
&rst
ixpk= 923, nxpk= 10, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 943, 944,
&end
#
# 0 AMB 10-2:924 57 THR HN 4.00 (# 924:10 Single Ambig)
&rst
ixpk= 924, nxpk= 10, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 886, 887, 888, 890, 891, 892, 881, 882,
&end
#
# 57 THR MG2 57 THR HN 4.00 (# 925:10 Unique 3.23, 3.99 A)
&rst
ixpk= 925, nxpk= 10, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 902, 903, 904,
&end
#
# 0 AMB 10-2:926 57 THR HN 5.00 (# 926:10 Single Ambig)
&rst
ixpk= 926, nxpk= 10, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 963, 964, 965, 967, 968, 969, 963, 964, 965, 967,
968, 969, 221, 222, 223, 225, 226, 227,
&end
#
# 56 LEU HG 57 THR HN 4.00 (# 927:10 Unique 1.95, 1.95 A)
&rst
ixpk= 927, nxpk= 10, iat= 884, 896, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 56 LEU MDX 57 THR HN 5.00 (# 928:10 Unique 3.30, 4.20 A)
&rst
ixpk= 928, nxpk= 10, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 886, 887, 888, 890, 891, 892,
&end
#
# 39 THR HB 39 THR HN 4.00 (# 929:10 Preassigned 3.02, 3.02 A)
&rst
ixpk= 929, nxpk= 10, iat= 605, 601, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 82 LEU MDX 84 GLU HN 5.00 (# 930:10 Unique 5.67, 6.88 A)
&rst
ixpk= 930, nxpk= 10, iat= -1,1287, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1255,1256,1257,1259,1260,1261,
&end
#
# 56 LEU HB- 57 THR HN 5.00 (# 932:10 Unique 3.49, 3.80 A)
&rst
ixpk= 932, nxpk= 10, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 881, 882,
&end
#
# 97 GLY HN 98 SER HN 4.00 (# 933:10 Unique 2.95, 2.95 A)
&rst
ixpk= 933, nxpk= 10, iat=1492,1499, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 21 TRP HZ2 98 SER HN 6.00 (# 934:10 Unique 3.89, 3.89 A)
&rst
ixpk= 934, nxpk= 10, iat= 303,1499, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 98 SER HA 98 SER HN 4.00 (# 935:10 Unique 2.92, 2.92 A)
&rst
ixpk= 935, nxpk= 10, iat=1501,1499, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 98 SER HB+ 98 SER HN 4.00 (# 936:10 Unique 2.40, 3.00 A)
&rst
ixpk= 936, nxpk= 10, iat= -1,1499, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1503,1504,
&end
#
# 98 SER HB- 98 SER HN 4.00 (# 937:10 Unique 2.40, 3.00 A)
&rst
ixpk= 937, nxpk= 10, iat= -1,1499, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1503,1504,
&end
#
# 0 AMB 10-2:938 98 SER HN 5.00 (# 938:10 Single Ambig)
&rst
ixpk= 938, nxpk= 10, iat= -1,1499, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1444,1475,
&end
#
# 97 GLY HA- 98 SER HN 5.00 (# 939:10 Unique 3.23, 3.36 A)
&rst
ixpk= 939, nxpk= 10, iat= -1,1499, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1494,1495,
&end
#
# 94 THR MG2 98 SER HN 5.00 (# 940:10 Unique 4.99, 5.50 A)
&rst
ixpk= 940, nxpk= 10, iat= -1,1499, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1446,1447,1448,
&end
#
# 39 THR HA 39 THR HN 4.00 (# 941:10 Unique 3.01, 3.01 A)
&rst
ixpk= 941, nxpk= 10, iat= 603, 601, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:943 39 THR HN 4.00 (# 943:10 Single Ambig)
&rst
ixpk= 943, nxpk= 10, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=1171,1172,1275,1276,1174,
&end
#
# 0 AMB 10-2:944 0 AMB 10-1:944 4.00 (# 944:10 Double Ambig)
&rst
ixpk= 944, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1=1230,1231,1232, 547, 548,
igr2= 601, 543,
&end
#
# 0 AMB 10-2:945 39 THR HN 3.00 (# 945:10 Single Ambig)
&rst
ixpk= 945, nxpk= 10, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 607, 608, 609, 593, 594, 595,
&end
#
# 0 AMB 10-2:946 39 THR HN 6.00 (# 946:10 Single Ambig)
&rst
ixpk= 946, nxpk= 10, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1176,1177,1178,1180,1181,1182, 638, 639, 640, 642,
643, 644,
&end
#
# 27 ILE HG1- 0 AMB 10-1:947 5.00 (# 947:10 Single Ambig)
&rst
ixpk= 947, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 400, 401,
igr2= 409,1084,
&end
#
# 83 LYS HN 84 GLU HN 4.00 (# 948:10 Unique 3.05, 3.05 A)
&rst
ixpk= 948, nxpk= 10, iat=1265,1287, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:949 84 GLU HN 4.00 (# 949:10 Single Ambig)
&rst
ixpk= 949, nxpk= 10, iat= -1,1287, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1321,1246,
&end
#
# 85 LEU HN 84 GLU HN 3.00 (# 950:10 Unique 2.92, 2.92 A)
&rst
ixpk= 950, nxpk= 10, iat=1302,1287, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 87 GLN HN 84 GLU HN 6.00 (# 951:10 Unique 4.82, 4.82 A)
&rst
ixpk= 951, nxpk= 10, iat=1340,1287, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:952 84 GLU HN 6.00 (# 952:10 Single Ambig)
&rst
ixpk= 952, nxpk= 10, iat= -1,1287, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 538, 539, 577, 581,
&end
#
# 81 ALA HA 84 GLU HN 5.00 (# 953:10 Unique 3.50, 3.50 A)
&rst
ixpk= 953, nxpk= 10, iat=1238,1287, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 84 GLU HA 84 GLU HN 4.00 (# 954:10 Unique 2.85, 2.85 A)
&rst
ixpk= 954, nxpk= 10, iat=1289,1287, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:955 84 GLU HN 5.00 (# 955:10 Single Ambig)
&rst
ixpk= 955, nxpk= 10, iat= -1,1287, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1248,1373,1374, 512,
&end
#
# 83 LYS HA 84 GLU HN 5.00 (# 956:10 Unique 3.65, 3.65 A)
&rst
ixpk= 956, nxpk= 10, iat=1267,1287, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 83 LYS HE+ 84 GLU HN 6.00 (# 957:10 Unique 5.78, 6.19 A)
&rst
ixpk= 957, nxpk= 10, iat= -1,1287, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1278,1279,
&end
#
# 84 GLU HG+ 84 GLU HN 4.00 (# 958:10 Unique 2.34, 3.02 A)
&rst
ixpk= 958, nxpk= 10, iat= -1,1287, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1294,1295,
&end
#
# 84 GLU HB+ 84 GLU HN 4.00 (# 959:10 Unique 2.46, 3.04 A)
&rst
ixpk= 959, nxpk= 10, iat= -1,1287, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1291,1292,
&end
#
# 0 AMB 10-2:960 84 GLU HN 3.00 (# 960:10 Single Ambig)
&rst
ixpk= 960, nxpk= 10, iat= -1,1287, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1291,1292,1269,1270,
&end
#
# 85 LEU MDX 84 GLU HN 6.00 (# 961:10 Unique 4.50, 6.12 A)
&rst
ixpk= 961, nxpk= 10, iat= -1,1287, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1311,1312,1313,1315,1316,1317,
&end
#
# 0 AMB 10-2:962 84 GLU HN 5.00 (# 962:10 Single Ambig)
&rst
ixpk= 962, nxpk= 10, iat= -1,1287, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1272,1273,1255,1256,1257,1259,1260,1261,
&end
#
# 85 LEU HB- 84 GLU HN 5.00 (# 963:10 Unique 4.74, 5.53 A)
&rst
ixpk= 963, nxpk= 10, iat= -1,1287, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1306,1307,
&end
#
# 0 AMB 10-2:964 84 GLU HN 6.00 (# 964:10 Single Ambig)
&rst
ixpk= 964, nxpk= 10, iat= -1,1287, r1= 1.30, r2= 1.80, r3=10.39, r4=10.89,
igr1= 733, 734, 735, 737, 738, 739,1552,1553,1554,1556,
1557,1558, 251, 252, 253, 255, 256, 257,1128,1129,
1130,1157,1158,1159,1161,1162,1163,
&end
#
# 72 GLY HN 70 GLN HN 5.00 (# 965:10 Unique 4.13, 4.13 A)
&rst
ixpk= 965, nxpk= 10, iat=1115,1084, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:966 0 AMB 10-1:966 3.00 (# 966:10 Double Ambig)
&rst
ixpk= 966, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 418, 419,1101,
igr2= 409,1084,
&end
#
# 70 GLN HA 70 GLN HN 3.00 (# 968:10 Unique 2.86, 2.86 A)
&rst
ixpk= 968, nxpk= 10, iat=1086,1084, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:969 70 GLN HN 4.00 (# 969:10 Single Ambig)
&rst
ixpk= 969, nxpk= 10, iat= -1,1084, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1046,1067,1068,
&end
#
# 70 GLN HG+ 70 GLN HN 5.00 (# 970:10 Unique 2.60, 3.20 A)
&rst
ixpk= 970, nxpk= 10, iat= -1,1084, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1091,1092,
&end
#
# 0 AMB 10-2:971 70 GLN HN 3.00 (# 971:10 Single Ambig)
&rst
ixpk= 971, nxpk= 10, iat= -1,1084, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1088,1089,1091,1092,
&end
#
# 70 GLN HB- 70 GLN HN 3.00 (# 972:10 Unique 2.27, 2.91 A)
&rst
ixpk= 972, nxpk= 10, iat= -1,1084, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1088,1089,
&end
#
# 69 ALA MB 70 GLN HN 4.00 (# 973:10 Unique 2.50, 3.32 A)
&rst
ixpk= 973, nxpk= 10, iat= -1,1084, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1078,1079,1080,
&end
#
# 0 AMB 10-2:974 0 AMB 10-1:974 3.00 (# 974:10 Double Ambig)
&rst
ixpk= 974, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1074, 390, 430,
igr2=1084, 409,
&end
#
# 28 ASN HD2+ 28 ASN HN 5.00 (# 975:10 Unique 2.62, 3.39 A)
&rst
ixpk= 975, nxpk= 10, iat= -1, 409, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 418, 419,
&end
#
# 28 ASN HA 28 ASN HN 4.00 (# 976:10 Unique 2.87, 2.87 A)
&rst
ixpk= 976, nxpk= 10, iat= 411, 409, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 27 ILE HA 28 ASN HN 4.00 (# 977:10 Preassigned 3.59, 3.59 A)
&rst
ixpk= 977, nxpk= 10, iat= 392, 409, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 28 ASN HB+ 28 ASN HN 4.00 (# 978:10 Unique 2.22, 2.87 A)
&rst
ixpk= 978, nxpk= 10, iat= -1, 409, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 413, 414,
&end
#
# 28 ASN HB- 28 ASN HN 3.00 (# 979:10 Unique 2.22, 2.87 A)
&rst
ixpk= 979, nxpk= 10, iat= -1, 409, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 413, 414,
&end
#
# 0 AMB 10-2:980 28 ASN HN 4.00 (# 980:10 Single Ambig)
&rst
ixpk= 980, nxpk= 10, iat= -1, 409, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 396, 397, 398, 400, 401,
&end
#
# 96 LEU MDY 28 ASN HN 6.00 (# 981:10 Unique 3.96, 5.51 A)
&rst
ixpk= 981, nxpk= 10, iat= -1, 409, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1482,1483,1484,1486,1487,1488,
&end
#
# 95 ILE HB 98 SER HN 6.00 (# 982:10 Preassigned 4.78, 4.78 A)
&rst
ixpk= 982, nxpk= 10, iat=1458,1499, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 37 PHE HN 36 ARG HN 5.00 (# 983:10 Unique 2.75, 2.75 A)
&rst
ixpk= 983, nxpk= 10, iat= 567, 543, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 36 ARG HA 36 ARG HN 5.00 (# 984:10 Unique 2.90, 2.90 A)
&rst
ixpk= 984, nxpk= 10, iat= 545, 543, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 35 ASN HB+ 36 ARG HN 4.00 (# 985:10 Unique 2.62, 3.22 A)
&rst
ixpk= 985, nxpk= 10, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 533, 534,
&end
#
# 0 AMB 10-2:986 0 AMB 10-1:986 5.00 (# 986:10 Double Ambig)
&rst
ixpk= 986, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
igr1= 550, 551, 514, 515, 621, 622, 623,
igr2= 543, 601,
&end
#
# 115 SER HB+ 115 SER HN 4.00 (# 993:10 Unique 2.65, 3.22 A)
&rst
ixpk= 993, nxpk= 10, iat= -1,1768, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1772,1773,
&end
#
# 49 MET HB+ 52 ASN HN 6.00 (# 997:10 Unique 5.02, 5.38 A)
&rst
ixpk= 997, nxpk= 10, iat= -1, 813, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 757, 758,
&end
#
# 53 TYR HN 52 ASN HN 3.00 (# 1001:10 Unique 2.73, 2.73 A)
&rst
ixpk= 1001, nxpk= 10, iat= 827, 813, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 51 TYR HN 52 ASN HN 3.00 (# 1002:10 Unique 2.30, 2.30 A)
&rst
ixpk= 1002, nxpk= 10, iat= 792, 813, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:1003 52 ASN HN 5.00 (# 1003:10 Single Ambig)
&rst
ixpk= 1003, nxpk= 10, iat= -1, 813, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 835, 844, 800, 809,
&end
#
# 52 ASN HA 52 ASN HN 3.00 (# 1004:10 Unique 2.30, 2.30 A)
&rst
ixpk= 1004, nxpk= 10, iat= 815, 813, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 52 ASN HB+ 52 ASN HN 5.00 (# 1005:10 Unique 3.25, 3.50 A)
&rst
ixpk= 1005, nxpk= 10, iat= -1, 813, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 817, 818,
&end
#
# 52 ASN HB- 52 ASN HN 4.00 (# 1006:10 Unique 3.25, 3.50 A)
&rst
ixpk= 1006, nxpk= 10, iat= -1, 813, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 817, 818,
&end
#
# 51 TYR HB- 52 ASN HN 5.00 (# 1007:10 Unique 3.89, 4.17 A)
&rst
ixpk= 1007, nxpk= 10, iat= -1, 813, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 796, 797,
&end
#
# 50 LYS HB- 52 ASN HN 6.00 (# 1008:10 Unique 5.23, 5.30 A)
&rst
ixpk= 1008, nxpk= 10, iat= -1, 813, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 774, 775,
&end
#
# 12 THR MG2 52 ASN HN 6.00 (# 1009:10 Preassigned 5.46, 6.26 A)
&rst
ixpk= 1009, nxpk= 10, iat= -1, 813, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 157, 158, 159,
&end
#
# 0 AMB 10-2:1011 51 TYR HN 6.00 (# 1011:10 Single Ambig)
&rst
ixpk= 1011, nxpk= 10, iat= -1, 792, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 831, 832, 783, 784,
&end
#
# 0 AMB 10-2:1012 51 TYR HN 6.00 (# 1012:10 Single Ambig)
&rst
ixpk= 1012, nxpk= 10, iat= -1, 792, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 780, 781, 780, 781,
&end
#
# 114 CYS HA 114 CYS HN 4.00 (# 1013:10 Unique 2.84, 2.84 A)
&rst
ixpk= 1013, nxpk= 10, iat=1759,1757, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 113 GLN HA 114 CYS HN 6.00 (# 1014:10 Unique 3.58, 3.58 A)
&rst
ixpk= 1014, nxpk= 10, iat=1742,1757, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 114 CYS HB+ 114 CYS HN 4.00 (# 1016:10 Unique 2.57, 3.11 A)
&rst
ixpk= 1016, nxpk= 10, iat= -1,1757, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1761,1762,
&end
#
# 114 CYS HB- 114 CYS HN 4.00 (# 1017:10 Unique 2.57, 3.11 A)
&rst
ixpk= 1017, nxpk= 10, iat= -1,1757, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1761,1762,
&end
#
# 113 GLN HB+ 114 CYS HN 6.00 (# 1018:10 Unique 2.87, 3.30 A)
&rst
ixpk= 1018, nxpk= 10, iat= -1,1757, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1744,1745,
&end
#
# 53 TYR HN 51 TYR HN 5.00 (# 1019:10 Unique 3.67, 3.67 A)
&rst
ixpk= 1019, nxpk= 10, iat= 827, 792, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 52 ASN HN 51 TYR HN 3.00 (# 1020:10 Unique 2.30, 2.30 A)
&rst
ixpk= 1020, nxpk= 10, iat= 813, 792, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:1021 51 TYR HN 3.00 (# 1021:10 Single Ambig)
&rst
ixpk= 1021, nxpk= 10, iat= -1, 792, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 800, 809, 835, 844,
&end
#
# 51 TYR HE 51 TYR HN 5.00 (# 1022:10 Preassigned 4.58, 5.51 A)
&rst
ixpk= 1022, nxpk= 10, iat= -1, 792, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 802, 807,
&end
#
# 51 TYR HA 51 TYR HN 3.00 (# 1023:10 Unique 3.00, 3.00 A)
&rst
ixpk= 1023, nxpk= 10, iat= 794, 792, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 49 MET HA 51 TYR HN 5.00 (# 1024:10 Unique 3.61, 3.61 A)
&rst
ixpk= 1024, nxpk= 10, iat= 755, 792, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 50 LYS HA 51 TYR HN 4.00 (# 1025:10 Unique 3.41, 3.41 A)
&rst
ixpk= 1025, nxpk= 10, iat= 772, 792, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:1026 51 TYR HN 3.00 (# 1026:10 Single Ambig)
&rst
ixpk= 1026, nxpk= 10, iat= -1, 792, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 796, 797, 745,
&end
#
# 0 AMB 10-2:1027 51 TYR HN 6.00 (# 1027:10 Single Ambig)
&rst
ixpk= 1027, nxpk= 10, iat= -1, 792, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 817, 818, 760, 761,
&end
#
# 51 TYR HB- 51 TYR HN 4.00 (# 1028:10 Unique 2.64, 3.20 A)
&rst
ixpk= 1028, nxpk= 10, iat= -1, 792, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 796, 797,
&end
#
# 49 MET HB+ 51 TYR HN 6.00 (# 1029:10 Unique 5.12, 5.14 A)
&rst
ixpk= 1029, nxpk= 10, iat= -1, 792, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 757, 758,
&end
#
# 50 LYS HB+ 51 TYR HN 5.00 (# 1030:10 Unique 3.44, 3.82 A)
&rst
ixpk= 1030, nxpk= 10, iat= -1, 792, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 774, 775,
&end
#
# 50 LYS HB- 51 TYR HN 5.00 (# 1031:10 Unique 3.44, 3.82 A)
&rst
ixpk= 1031, nxpk= 10, iat= -1, 792, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 774, 775,
&end
#
# 50 LYS HG+ 51 TYR HN 6.00 (# 1032:10 Unique 4.68, 5.01 A)
&rst
ixpk= 1032, nxpk= 10, iat= -1, 792, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 777, 778,
&end
#
# 0 AMB 10-2:1033 51 TYR HN 5.00 (# 1033:10 Single Ambig)
&rst
ixpk= 1033, nxpk= 10, iat= -1, 792, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
igr1= 777, 778, 747, 748, 749, 733, 734, 735, 737, 738,
739,
&end
#
# 86 LEU MDX 51 TYR HN 6.00 (# 1034:10 Unique 4.73, 5.72 A)
&rst
ixpk= 1034, nxpk= 10, iat= -1, 792, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1330,1331,1332,1334,1335,1336,
&end
#
# 86 LEU MDY 51 TYR HN 6.00 (# 1035:10 Unique 4.73, 5.72 A)
&rst
ixpk= 1035, nxpk= 10, iat= -1, 792, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1330,1331,1332,1334,1335,1336,
&end
#
# 113 GLN HG+ 114 CYS HN 6.00 (# 1037:10 Unique 4.70, 4.98 A)
&rst
ixpk= 1037, nxpk= 10, iat= -1,1757, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1747,1748,
&end
#
# 4 THR MG2 4 THR HN 6.00 (# 1039:10 Unique 2.49, 3.31 A)
&rst
ixpk= 1039, nxpk= 10, iat= -1, 57, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 63, 64, 65,
&end
#
# 0 AMB 10-2:1041 4 THR HN 4.00 (# 1041:10 Single Ambig)
&rst
ixpk= 1041, nxpk= 10, iat= -1, 57, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 59, 42,
&end
#
# 0 AMB 10-2:1042 31 ARG HN 5.00 (# 1042:10 Single Ambig)
&rst
ixpk= 1042, nxpk= 10, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 474, 409,
&end
#
# 32 TRP HN 31 ARG HN 4.00 (# 1043:10 Unique 4.36, 4.36 A)
&rst
ixpk= 1043, nxpk= 10, iat= 466, 442, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 30 ASP HA 31 ARG HN 4.00 (# 1044:10 Unique 2.89, 2.89 A)
&rst
ixpk= 1044, nxpk= 10, iat= 432, 442, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 32 TRP HA 31 ARG HN 6.00 (# 1046:10 Unique 5.63, 5.63 A)
&rst
ixpk= 1046, nxpk= 10, iat= 468, 442, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 31 ARG HA 31 ARG HN 4.00 (# 1047:10 Unique 2.89, 2.89 A)
&rst
ixpk= 1047, nxpk= 10, iat= 444, 442, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 32 TRP HB- 31 ARG HN 6.00 (# 1048:10 Unique 5.02, 5.85 A)
&rst
ixpk= 1048, nxpk= 10, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 470, 471,
&end
#
# 30 ASP HB+ 31 ARG HN 5.00 (# 1049:10 Unique 4.20, 4.33 A)
&rst
ixpk= 1049, nxpk= 10, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 434, 435,
&end
#
# 31 ARG HB- 31 ARG HN 4.00 (# 1050:10 Unique 2.46, 2.46 A)
&rst
ixpk= 1050, nxpk= 10, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 446, 447,
&end
#
# 0 AMB 10-2:1051 31 ARG HN 4.00 (# 1051:10 Single Ambig)
&rst
ixpk= 1051, nxpk= 10, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 449, 450, 514, 515,
&end
#
# 30 ASP HN 31 ARG HN 5.00 (# 1052:10 Unique 2.51, 2.51 A)
&rst
ixpk= 1052, nxpk= 10, iat= 430, 442, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 26 VAL HA 31 ARG HN 6.00 (# 1053:10 Unique 2.95, 2.95 A)
&rst
ixpk= 1053, nxpk= 10, iat= 376, 442, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 30 ASP HB- 31 ARG HN 6.00 (# 1054:10 Unique 4.20, 4.33 A)
&rst
ixpk= 1054, nxpk= 10, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 434, 435,
&end
#
# 41 LEU HN 42 ASN HN 4.00 (# 1055:10 Unique 2.90, 2.90 A)
&rst
ixpk= 1055, nxpk= 10, iat= 629, 648, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 91 ASN HN 90 MET HN 5.00 (# 1056:10 Unique 2.66, 2.66 A)
&rst
ixpk= 1056, nxpk= 10, iat=1395,1378, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 43 ASP HN 42 ASN HN 4.00 (# 1057:10 Unique 2.70, 2.70 A)
&rst
ixpk= 1057, nxpk= 10, iat= 662, 648, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:1058 0 AMB 10-1:1058 6.00 (# 1058:10 Double Ambig)
&rst
ixpk= 1058, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 657, 658, 483,
igr2= 648,1378,
&end
#
# 0 AMB 10-2:1060 0 AMB 10-1:1060 3.00 (# 1060:10 Double Ambig)
&rst
ixpk= 1060, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1380, 650,
igr2=1378, 648,
&end
#
# 0 AMB 10-2:1061 0 AMB 10-1:1061 3.00 (# 1061:10 Double Ambig)
&rst
ixpk= 1061, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1373,1374, 631,
igr2=1378, 648,
&end
#
# 42 ASN HB+ 42 ASN HN 3.00 (# 1063:10 Unique 2.57, 2.61 A)
&rst
ixpk= 1063, nxpk= 10, iat= -1, 648, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 652, 653,
&end
#
# 90 MET HB- 90 MET HN 4.00 (# 1064:10 Unique 2.38, 2.99 A)
&rst
ixpk= 1064, nxpk= 10, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1382,1383,
&end
#
# 90 MET HG+ 90 MET HN 4.00 (# 1065:10 Preassigned 3.23, 3.63 A)
&rst
ixpk= 1065, nxpk= 10, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1385,1386,
&end
#
# 0 AMB 10-2:1066 42 ASN HN 3.00 (# 1066:10 Single Ambig)
&rst
ixpk= 1066, nxpk= 10, iat= -1, 648, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 633, 634, 636,
&end
#
# 0 AMB 10-2:1067 0 AMB 10-1:1067 5.00 (# 1067:10 Double Ambig)
&rst
ixpk= 1067, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
igr1= 657, 658,1371,1366,1367,
igr2= 648,1378,
&end
#
# 0 AMB 10-2:1068 90 MET HN 4.00 (# 1068:10 Single Ambig)
&rst
ixpk= 1068, nxpk= 10, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1311,1312,1313,1315,1316,1317,1552,1553,1554,1556,
1557,1558,
&end
#
# 11 ASP HN 12 THR HN 5.00 (# 1071:10 Unique 2.65, 2.65 A)
&rst
ixpk= 1071, nxpk= 10, iat= 139, 151, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 52 ASN HD2+ 12 THR HN 6.00 (# 1072:10 Unique 4.53, 5.30 A)
&rst
ixpk= 1072, nxpk= 10, iat= -1, 151, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 822, 823,
&end
#
# 11 ASP HA 12 THR HN 4.00 (# 1073:10 Unique 3.46, 3.46 A)
&rst
ixpk= 1073, nxpk= 10, iat= 141, 151, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 12 THR HA 12 THR HN 4.00 (# 1074:10 Unique 2.88, 2.88 A)
&rst
ixpk= 1074, nxpk= 10, iat= 153, 151, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 8 ALA HA 12 THR HN 6.00 (# 1075:10 Preassigned 10.85,10.85 A)
&rst
ixpk= 1075, nxpk= 10, iat= 110, 151, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 12 THR HB 12 THR HN 4.00 (# 1076:10 Unique 3.34, 3.34 A)
&rst
ixpk= 1076, nxpk= 10, iat= 155, 151, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 11 ASP HB+ 12 THR HN 4.00 (# 1077:10 Unique 2.98, 3.56 A)
&rst
ixpk= 1077, nxpk= 10, iat= -1, 151, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 143, 144,
&end
#
# 12 THR MG2 12 THR HN 4.00 (# 1078:10 Unique 3.31, 3.91 A)
&rst
ixpk= 1078, nxpk= 10, iat= -1, 151, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 157, 158, 159,
&end
#
# 88 ASN HN 88 ASN HD2- 5.00 (# 1079:10 Unique 2.70, 3.47 A)
&rst
ixpk= 1079, nxpk= 10, iat=1357, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1366,1367,
&end
#
# 88 ASN HN 88 ASN HD2+ 6.00 (# 1080:10 Unique 2.70, 3.47 A)
&rst
ixpk= 1080, nxpk= 10, iat=1357, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1366,1367,
&end
#
# 84 GLU HA 88 ASN HD2+ 5.00 (# 1081:10 Unique 3.04, 3.72 A)
&rst
ixpk= 1081, nxpk= 10, iat=1289, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1366,1367,
&end
#
# 88 ASN HB+ 88 ASN HD2+ 4.00 (# 1082:10 Unique 2.43, 3.44 A)
&rst
ixpk= 1082, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1361,1362,
igr2=1366,1367,
&end
#
# 87 GLN HG+ 88 ASN HD2+ 6.00 (# 1083:10 Unique 6.25, 7.51 A)
&rst
ixpk= 1083, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1347,1348,
igr2=1366,1367,
&end
#
# 0 AMB 10-2:1084 0 AMB 10-1:1084 5.00 (# 1084:10 Double Ambig)
&rst
ixpk= 1084, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr1=1344,1345,1306,1307,
igr2=1366,1367,1366,1367,
&end
#
# 0 AMB 10-2:1085 99 THR HN 3.00 (# 1085:10 Single Ambig)
&rst
ixpk= 1085, nxpk= 10, iat= -1,1510, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1503,1504,1512,
&end
#
# 84 GLU HA 88 ASN HD2- 5.00 (# 1086:10 Unique 3.04, 3.72 A)
&rst
ixpk= 1086, nxpk= 10, iat=1289, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1366,1367,
&end
#
# 88 ASN HB+ 88 ASN HD2- 3.00 (# 1087:10 Unique 2.43, 3.44 A)
&rst
ixpk= 1087, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1361,1362,
igr2=1366,1367,
&end
#
# 84 GLU HB+ 88 ASN HD2- 5.00 (# 1088:10 Unique 2.54, 3.40 A)
&rst
ixpk= 1088, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1291,1292,
igr2=1366,1367,
&end
#
# 84 GLU HB- 88 ASN HD2- 5.00 (# 1089:10 Unique 2.54, 3.40 A)
&rst
ixpk= 1089, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1291,1292,
igr2=1366,1367,
&end
#
# 109 ASP HA 108 PHE HN 6.00 (# 1090:10 Unique 5.46, 5.46 A)
&rst
ixpk= 1090, nxpk= 10, iat=1674,1652, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 109 ASP HN 108 PHE HN 6.00 (# 1091:10 Unique 2.90, 2.90 A)
&rst
ixpk= 1091, nxpk= 10, iat=1672,1652, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 108 PHE HA 108 PHE HN 4.00 (# 1093:10 Unique 2.83, 2.83 A)
&rst
ixpk= 1093, nxpk= 10, iat=1654,1652, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 107 PRO HA 108 PHE HN 6.00 (# 1094:10 Unique 3.56, 3.56 A)
&rst
ixpk= 1094, nxpk= 10, iat=1648,1652, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 107 PRO HD+ 108 PHE HN 6.00 (# 1095:10 Unique 2.78, 3.43 A)
&rst
ixpk= 1095, nxpk= 10, iat= -1,1652, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1639,1640,
&end
#
# 108 PHE HB+ 108 PHE HN 4.00 (# 1096:10 Unique 2.43, 2.44 A)
&rst
ixpk= 1096, nxpk= 10, iat= -1,1652, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1656,1657,
&end
#
# 108 PHE HB- 108 PHE HN 3.00 (# 1097:10 Unique 2.43, 2.44 A)
&rst
ixpk= 1097, nxpk= 10, iat= -1,1652, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1656,1657,
&end
#
# 109 ASP HB- 108 PHE HN 6.00 (# 1098:10 Unique 5.32, 5.33 A)
&rst
ixpk= 1098, nxpk= 10, iat= -1,1652, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1676,1677,
&end
#
# 107 PRO HB+ 108 PHE HN 6.00 (# 1099:10 Unique 2.53, 3.22 A)
&rst
ixpk= 1099, nxpk= 10, iat= -1,1652, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1645,1646,
&end
#
# 107 PRO HG- 108 PHE HN 6.00 (# 1100:10 Unique 4.00, 4.29 A)
&rst
ixpk= 1100, nxpk= 10, iat= -1,1652, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1642,1643,
&end
#
# 107 PRO HB- 108 PHE HN 6.00 (# 1101:10 Unique 2.53, 3.22 A)
&rst
ixpk= 1101, nxpk= 10, iat= -1,1652, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1645,1646,
&end
#
# 88 ASN HA 88 ASN HD2+ 6.00 (# 1103:10 Unique 4.19, 4.65 A)
&rst
ixpk= 1103, nxpk= 10, iat=1359, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1366,1367,
&end
#
# 100 ILE HN 99 THR HN 3.00 (# 1105:10 Unique 2.50, 2.50 A)
&rst
ixpk= 1105, nxpk= 10, iat=1524,1510, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 98 SER HA 99 THR HN 5.00 (# 1106:10 Unique 2.10, 2.10 A)
&rst
ixpk= 1106, nxpk= 10, iat=1501,1510, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 98 SER HB- 99 THR HN 4.00 (# 1107:10 Unique 2.91, 3.46 A)
&rst
ixpk= 1107, nxpk= 10, iat= -1,1510, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1503,1504,
&end
#
# 0 AMB 10-2:1108 99 THR HN 5.00 (# 1108:10 Single Ambig)
&rst
ixpk= 1108, nxpk= 10, iat= -1,1510, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1530,1531,1532,1552,1553,1554,1556,1557,1558,
&end
#
# 88 ASN HA 88 ASN HD2- 5.00 (# 1109:10 Unique 4.19, 4.65 A)
&rst
ixpk= 1109, nxpk= 10, iat=1359, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1366,1367,
&end
#
# 99 THR MG2 99 THR HN 3.00 (# 1110:10 Unique 2.54, 3.35 A)
&rst
ixpk= 1110, nxpk= 10, iat= -1,1510, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1516,1517,1518,
&end
#
# 48 ALA HN 49 MET HN 4.00 (# 1112:10 Unique 3.05, 3.05 A)
&rst
ixpk= 1112, nxpk= 10, iat= 743, 753, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:1113 49 MET HN 3.00 (# 1113:10 Single Ambig)
&rst
ixpk= 1113, nxpk= 10, iat= -1, 753, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 770, 792,
&end
#
# 47 VAL HN 49 MET HN 5.00 (# 1114:10 Unique 4.58, 4.58 A)
&rst
ixpk= 1114, nxpk= 10, iat= 727, 753, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 49 MET HA 49 MET HN 3.00 (# 1115:10 Unique 2.83, 2.83 A)
&rst
ixpk= 1115, nxpk= 10, iat= 755, 753, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 49 MET HB+ 49 MET HN 3.00 (# 1116:10 Unique 2.42, 3.01 A)
&rst
ixpk= 1116, nxpk= 10, iat= -1, 753, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 757, 758,
&end
#
# 0 AMB 10-2:1117 49 MET HN 5.00 (# 1117:10 Single Ambig)
&rst
ixpk= 1117, nxpk= 10, iat= -1, 753, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 870, 871, 712, 713, 881, 882,
&end
#
# 48 ALA MB 49 MET HN 3.00 (# 1118:10 Unique 2.57, 3.38 A)
&rst
ixpk= 1118, nxpk= 10, iat= -1, 753, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 747, 748, 749,
&end
#
# 45 ASN HA 49 MET HN 5.00 (# 1119:10 Unique 3.54, 3.54 A)
&rst
ixpk= 1119, nxpk= 10, iat= 696, 753, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 47 VAL HA 49 MET HN 6.00 (# 1120:10 Unique 4.77, 4.77 A)
&rst
ixpk= 1120, nxpk= 10, iat= 729, 753, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 48 ALA HA 49 MET HN 5.00 (# 1121:10 Unique 3.61, 3.61 A)
&rst
ixpk= 1121, nxpk= 10, iat= 745, 753, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 49 MET HG+ 49 MET HN 3.00 (# 1122:10 Unique 2.23, 2.82 A)
&rst
ixpk= 1122, nxpk= 10, iat= -1, 753, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 760, 761,
&end
#
# 46 LEU HA 49 MET HN 4.00 (# 1123:10 Unique 4.06, 4.06 A)
&rst
ixpk= 1123, nxpk= 10, iat= 710, 753, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:1125 49 MET HN 6.00 (# 1125:10 Single Ambig)
&rst
ixpk= 1125, nxpk= 10, iat= -1, 753, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 780, 781, 712, 713,
&end
#
# 87 GLN HN 88 ASN HN 4.00 (# 1126:10 Unique 2.66, 2.66 A)
&rst
ixpk= 1126, nxpk= 10, iat=1340,1357, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 88 ASN HA 88 ASN HN 4.00 (# 1127:10 Unique 2.99, 2.99 A)
&rst
ixpk= 1127, nxpk= 10, iat=1359,1357, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 89 GLY HA+ 88 ASN HN 5.00 (# 1128:10 Unique 4.08, 4.29 A)
&rst
ixpk= 1128, nxpk= 10, iat= -1,1357, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1373,1374,
&end
#
# 0 AMB 10-2:1129 88 ASN HN 3.00 (# 1129:10 Single Ambig)
&rst
ixpk= 1129, nxpk= 10, iat= -1,1357, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1371,1366,1367,
&end
#
# 88 ASN HD2+ 88 ASN HN 5.00 (# 1130:10 Unique 2.70, 3.47 A)
&rst
ixpk= 1130, nxpk= 10, iat= -1,1357, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1366,1367,
&end
#
# 0 AMB 10-2:1131 88 ASN HN 4.00 (# 1131:10 Single Ambig)
&rst
ixpk= 1131, nxpk= 10, iat= -1,1357, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1342,1289,
&end
#
# 85 LEU HA 88 ASN HN 4.00 (# 1132:10 Unique 3.62, 3.62 A)
&rst
ixpk= 1132, nxpk= 10, iat=1304,1357, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 86 LEU HA 88 ASN HN 6.00 (# 1133:10 Unique 4.57, 4.57 A)
&rst
ixpk= 1133, nxpk= 10, iat=1323,1357, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 88 ASN HB+ 88 ASN HN 4.00 (# 1134:10 Unique 2.74, 3.31 A)
&rst
ixpk= 1134, nxpk= 10, iat= -1,1357, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1361,1362,
&end
#
# 0 AMB 10-2:1135 88 ASN HN 6.00 (# 1135:10 Single Ambig)
&rst
ixpk= 1135, nxpk= 10, iat= -1,1357, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1347,1348,1399,1400,
&end
#
# 0 AMB 10-2:1136 88 ASN HN 5.00 (# 1136:10 Single Ambig)
&rst
ixpk= 1136, nxpk= 10, iat= -1,1357, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1347,1348,1294,1295,
&end
#
# 87 GLN HB+ 88 ASN HN 3.00 (# 1137:10 Unique 3.09, 3.48 A)
&rst
ixpk= 1137, nxpk= 10, iat= -1,1357, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1344,1345,
&end
#
# 0 AMB 10-2:1138 88 ASN HN 6.00 (# 1138:10 Single Ambig)
&rst
ixpk= 1138, nxpk= 10, iat= -1,1357, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=1311,1312,1313,1315,1316,1317,1552,1553,1554,1556,
1557,1558, 733, 734, 735, 737, 738, 739,
&end
#
# 62 ASP HA 58 GLN HE2+ 6.00 (# 1140:10 Unique 4.17, 4.40 A)
&rst
ixpk= 1140, nxpk= 10, iat= 975, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 922, 923,
&end
#
# 58 GLN HA 58 GLN HE2+ 6.00 (# 1141:10 Unique 2.69, 3.04 A)
&rst
ixpk= 1141, nxpk= 10, iat= 912, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 922, 923,
&end
#
# 0 AMB 10-2:1142 0 AMB 10-1:1142 3.00 (# 1142:10 Double Ambig)
&rst
ixpk= 1142, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 917, 918, 961,
igr2= 922, 923, 922, 923,
&end
#
# 58 GLN HB+ 58 GLN HE2+ 5.00 (# 1143:10 Unique 3.99, 4.44 A)
&rst
ixpk= 1143, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 914, 915,
igr2= 922, 923,
&end
#
# 0 AMB 10-2:1144 0 AMB 10-1:1144 5.00 (# 1144:10 Double Ambig)
&rst
ixpk= 1144, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 914, 915,1155,
igr2= 922, 923, 922, 923,
&end
#
# 0 AMB 10-2:1145 0 AMB 10-1:1145 4.00 (# 1145:10 Double Ambig)
&rst
ixpk= 1145, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
igr1= 963, 964, 965, 967, 968, 969, 963, 964, 965, 967,
968, 969,
igr2= 922, 923, 922, 923,
&end
#
# 62 ASP HN 58 GLN HE2+ 6.00 (# 1146:10 Unique 2.95, 3.54 A)
&rst
ixpk= 1146, nxpk= 10, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 922, 923,
&end
#
# 62 ASP HN 58 GLN HE2- 6.00 (# 1147:10 Unique 2.95, 3.54 A)
&rst
ixpk= 1147, nxpk= 10, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 922, 923,
&end
#
# 58 GLN HA 58 GLN HE2- 6.00 (# 1149:10 Unique 2.69, 3.04 A)
&rst
ixpk= 1149, nxpk= 10, iat= 912, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 922, 923,
&end
#
# 0 AMB 10-2:1150 58 GLN HE2- 3.00 (# 1150:10 Single Ambig)
&rst
ixpk= 1150, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 917, 918, 961,
igr2= 922, 923,
&end
#
# 0 AMB 10-2:1151 58 GLN HE2- 6.00 (# 1151:10 Single Ambig)
&rst
ixpk= 1151, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 914, 915,1155,
igr2= 922, 923,
&end
#
# 0 AMB 10-2:1152 58 GLN HE2- 3.00 (# 1152:10 Single Ambig)
&rst
ixpk= 1152, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 963, 964, 965, 967, 968, 969, 963, 964, 965, 967,
968, 969,
igr2= 922, 923,
&end
#
# 27 ILE HB 28 ASN HD2+ 5.00 (# 1153:10 Unique 3.54, 4.12 A)
&rst
ixpk= 1153, nxpk= 10, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 418, 419,
&end
#
# 24 ALA HA 28 ASN HD2- 6.00 (# 1154:10 Unique 3.28, 3.80 A)
&rst
ixpk= 1154, nxpk= 10, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 418, 419,
&end
#
# 28 ASN HB+ 28 ASN HD2- 4.00 (# 1155:10 Unique 2.34, 3.40 A)
&rst
ixpk= 1155, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 413, 414,
igr2= 418, 419,
&end
#
# 28 ASN HB- 28 ASN HD2- 4.00 (# 1156:10 Unique 2.34, 3.40 A)
&rst
ixpk= 1156, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 413, 414,
igr2= 418, 419,
&end
#
# 24 ALA MB 28 ASN HD2- 5.00 (# 1157:10 Unique 3.00, 4.22 A)
&rst
ixpk= 1157, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 358, 359, 360,
igr2= 418, 419,
&end
#
# 0 AMB 10-2:1158 28 ASN HD2- 5.00 (# 1158:10 Single Ambig)
&rst
ixpk= 1158, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
igr1= 396, 397, 398, 400, 401,
igr2= 418, 419,
&end
#
# 0 AMB 10-2:1159 28 ASN HD2- 6.00 (# 1159:10 Single Ambig)
&rst
ixpk= 1159, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 390, 364, 430,
igr2= 418, 419,
&end
#
# 96 LEU MDY 28 ASN HD2- 5.00 (# 1160:10 Unique 2.96, 4.51 A)
&rst
ixpk= 1160, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1482,1483,1484,1486,1487,1488,
igr2= 418, 419,
&end
#
# 96 LEU MDX 28 ASN HD2- 6.00 (# 1161:10 Unique 2.96, 4.51 A)
&rst
ixpk= 1161, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1482,1483,1484,1486,1487,1488,
igr2= 418, 419,
&end
#
# 28 ASN HA 28 ASN HD2+ 6.00 (# 1163:10 Unique 3.59, 3.82 A)
&rst
ixpk= 1163, nxpk= 10, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 418, 419,
&end
#
# 24 ALA HA 28 ASN HD2+ 5.00 (# 1164:10 Unique 3.28, 3.80 A)
&rst
ixpk= 1164, nxpk= 10, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 418, 419,
&end
#
# 28 ASN HB+ 28 ASN HD2+ 5.00 (# 1165:10 Unique 2.34, 3.40 A)
&rst
ixpk= 1165, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 413, 414,
igr2= 418, 419,
&end
#
# 28 ASN HB- 28 ASN HD2+ 4.00 (# 1166:10 Unique 2.34, 3.40 A)
&rst
ixpk= 1166, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 413, 414,
igr2= 418, 419,
&end
#
# 24 ALA MB 28 ASN HD2+ 5.00 (# 1167:10 Unique 3.00, 4.22 A)
&rst
ixpk= 1167, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 358, 359, 360,
igr2= 418, 419,
&end
#
# 0 AMB 10-2:1168 0 AMB 10-1:1168 4.00 (# 1168:10 Double Ambig)
&rst
ixpk= 1168, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 396, 397, 398, 400, 401,
igr2= 418, 419, 418, 419,
&end
#
# 96 LEU MDX 28 ASN HD2+ 6.00 (# 1169:10 Unique 2.96, 4.51 A)
&rst
ixpk= 1169, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1482,1483,1484,1486,1487,1488,
igr2= 418, 419,
&end
#
# 28 ASN HA 28 ASN HD2- 6.00 (# 1170:10 Unique 3.59, 3.82 A)
&rst
ixpk= 1170, nxpk= 10, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 418, 419,
&end
#
# 47 VAL MGX 87 GLN HN 6.00 (# 1172:10 Preassigned 4.72, 6.34 A)
&rst
ixpk= 1172, nxpk= 10, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 733, 734, 735, 737, 738, 739,
&end
#
# 0 AMB 10-2:1173 87 GLN HN 3.00 (# 1173:10 Single Ambig)
&rst
ixpk= 1173, nxpk= 10, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1321,1357,
&end
#
# 0 AMB 10-2:1174 87 GLN HN 3.00 (# 1174:10 Single Ambig)
&rst
ixpk= 1174, nxpk= 10, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1342,1289,
&end
#
# 86 LEU HA 87 GLN HN 4.00 (# 1175:10 Unique 3.60, 3.60 A)
&rst
ixpk= 1175, nxpk= 10, iat=1323,1340, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 87 GLN HG- 87 GLN HN 4.00 (# 1176:10 Unique 2.51, 3.05 A)
&rst
ixpk= 1176, nxpk= 10, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1347,1348,
&end
#
# 87 GLN HG+ 87 GLN HN 4.00 (# 1177:10 Unique 2.51, 3.05 A)
&rst
ixpk= 1177, nxpk= 10, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1347,1348,
&end
#
# 87 GLN HB+ 87 GLN HN 4.00 (# 1178:10 Unique 2.33, 2.95 A)
&rst
ixpk= 1178, nxpk= 10, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1344,1345,
&end
#
# 86 LEU HB+ 87 GLN HN 4.00 (# 1179:10 Unique 2.37, 2.91 A)
&rst
ixpk= 1179, nxpk= 10, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1325,1326,
&end
#
# 86 LEU MDX 87 GLN HN 5.00 (# 1180:10 Unique 4.74, 5.56 A)
&rst
ixpk= 1180, nxpk= 10, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1330,1331,1332,1334,1335,1336,
&end
#
# 42 ASN HA 42 ASN HD2- 6.00 (# 1181:10 Unique 2.25, 2.88 A)
&rst
ixpk= 1181, nxpk= 10, iat= 650, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 657, 658,
&end
#
# 42 ASN HB+ 42 ASN HD2- 4.00 (# 1182:10 Unique 2.58, 3.51 A)
&rst
ixpk= 1182, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 652, 653,
igr2= 657, 658,
&end
#
# 42 ASN HA 42 ASN HD2+ 6.00 (# 1184:10 Unique 2.25, 2.88 A)
&rst
ixpk= 1184, nxpk= 10, iat= 650, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 657, 658,
&end
#
# 42 ASN HB+ 42 ASN HD2+ 4.00 (# 1185:10 Unique 2.58, 3.51 A)
&rst
ixpk= 1185, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 652, 653,
igr2= 657, 658,
&end
#
# 46 LEU MDX 42 ASN HD2- 5.00 (# 1187:10 Unique 4.06, 5.48 A)
&rst
ixpk= 1187, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 717, 718, 719, 721, 722, 723,
igr2= 657, 658,
&end
#
# 0 AMB 10-2:1188 0 AMB 10-1:1188 6.00 (# 1188:10 Double Ambig)
&rst
ixpk= 1188, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 529, 543,
igr2= 538, 539, 538, 539,
&end
#
# 37 PHE HD 35 ASN HD2+ 5.00 (# 1189:10 Unique 3.18, 4.66 A)
&rst
ixpk= 1189, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 575, 583,
igr2= 538, 539,
&end
#
# 81 ALA HA 35 ASN HD2+ 4.00 (# 1191:10 Unique 2.17, 2.97 A)
&rst
ixpk= 1191, nxpk= 10, iat=1238, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 538, 539,
&end
#
# 35 ASN HB+ 35 ASN HD2+ 3.00 (# 1192:10 Unique 2.98, 3.66 A)
&rst
ixpk= 1192, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 533, 534,
igr2= 538, 539,
&end
#
# 84 GLU HG- 35 ASN HD2+ 4.00 (# 1193:10 Unique 4.29, 4.98 A)
&rst
ixpk= 1193, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1294,1295,
igr2= 538, 539,
&end
#
# 84 GLU HB- 35 ASN HD2+ 5.00 (# 1194:10 Unique 4.87, 6.25 A)
&rst
ixpk= 1194, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1291,1292,
igr2= 538, 539,
&end
#
# 81 ALA MB 35 ASN HD2+ 6.00 (# 1195:10 Unique 2.64, 3.91 A)
&rst
ixpk= 1195, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1240,1241,1242,
igr2= 538, 539,
&end
#
# 80 ALA MB 35 ASN HD2+ 5.00 (# 1196:10 Unique 3.32, 4.35 A)
&rst
ixpk= 1196, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1230,1231,1232,
igr2= 538, 539,
&end
#
# 35 ASN HA 35 ASN HD2+ 5.00 (# 1197:10 Unique 3.78, 4.43 A)
&rst
ixpk= 1197, nxpk= 10, iat= 531, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 538, 539,
&end
#
# 81 ALA HA 35 ASN HD2- 4.00 (# 1199:10 Unique 2.17, 2.97 A)
&rst
ixpk= 1199, nxpk= 10, iat=1238, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 538, 539,
&end
#
# 35 ASN HB+ 35 ASN HD2- 4.00 (# 1200:10 Unique 2.98, 3.66 A)
&rst
ixpk= 1200, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 533, 534,
igr2= 538, 539,
&end
#
# 84 GLU HG- 35 ASN HD2- 4.00 (# 1201:10 Unique 4.29, 4.98 A)
&rst
ixpk= 1201, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1294,1295,
igr2= 538, 539,
&end
#
# 84 GLU HB- 35 ASN HD2- 5.00 (# 1202:10 Unique 4.87, 6.25 A)
&rst
ixpk= 1202, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1291,1292,
igr2= 538, 539,
&end
#
# 81 ALA MB 35 ASN HD2- 5.00 (# 1203:10 Unique 2.64, 3.91 A)
&rst
ixpk= 1203, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1240,1241,1242,
igr2= 538, 539,
&end
#
# 80 ALA MB 35 ASN HD2- 5.00 (# 1204:10 Unique 3.32, 4.35 A)
&rst
ixpk= 1204, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1230,1231,1232,
igr2= 538, 539,
&end
#
# 0 AMB 10-2:1205 35 ASN HD2- 6.00 (# 1205:10 Single Ambig)
&rst
ixpk= 1205, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 529, 543,
igr2= 538, 539,
&end
#
# 37 PHE HD 35 ASN HD2- 5.00 (# 1206:10 Unique 3.18, 4.66 A)
&rst
ixpk= 1206, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 575, 583,
igr2= 538, 539,
&end
#
# 35 ASN HA 35 ASN HD2- 5.00 (# 1207:10 Unique 3.78, 4.43 A)
&rst
ixpk= 1207, nxpk= 10, iat= 531, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 538, 539,
&end
#
# 37 PHE HB- 35 ASN HD2- 6.00 (# 1208:10 Unique 2.66, 3.63 A)
&rst
ixpk= 1208, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 571, 572,
igr2= 538, 539,
&end
#
# 11 ASP HN 10 THR HN 6.00 (# 1209:10 Unique 4.41, 4.41 A)
&rst
ixpk= 1209, nxpk= 10, iat= 139, 125, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 10 THR HA 10 THR HN 4.00 (# 1211:10 Unique 2.98, 2.98 A)
&rst
ixpk= 1211, nxpk= 10, iat= 127, 125, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 8 ALA HA 10 THR HN 6.00 (# 1212:10 Preassigned 6.52, 6.52 A)
&rst
ixpk= 1212, nxpk= 10, iat= 110, 125, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 9 GLY HA- 10 THR HN 3.00 (# 1213:10 Unique 2.44, 2.55 A)
&rst
ixpk= 1213, nxpk= 10, iat= -1, 125, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 120, 121,
&end
#
# 8 ALA MB 10 THR HN 6.00 (# 1214:10 Preassigned 6.10, 6.85 A)
&rst
ixpk= 1214, nxpk= 10, iat= -1, 125, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 112, 113, 114,
&end
#
# 0 AMB 10-2:1215 10 THR HN 4.00 (# 1215:10 Single Ambig)
&rst
ixpk= 1215, nxpk= 10, iat= -1, 125, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 131, 132, 133, 189, 190,
&end
#
# 91 ASN HA 91 ASN HD2- 6.00 (# 1217:10 Unique 2.31, 2.95 A)
&rst
ixpk= 1217, nxpk= 10, iat=1397, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1404,1405,
&end
#
# 91 ASN HB+ 91 ASN HD2- 4.00 (# 1218:10 Unique 2.58, 3.51 A)
&rst
ixpk= 1218, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1399,1400,
igr2=1404,1405,
&end
#
# 91 ASN HB- 91 ASN HD2- 4.00 (# 1219:10 Unique 2.58, 3.51 A)
&rst
ixpk= 1219, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1399,1400,
igr2=1404,1405,
&end
#
# 91 ASN HA 91 ASN HD2+ 6.00 (# 1220:10 Unique 2.31, 2.95 A)
&rst
ixpk= 1220, nxpk= 10, iat=1397, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1404,1405,
&end
#
# 91 ASN HB+ 91 ASN HD2+ 5.00 (# 1222:10 Unique 2.58, 3.51 A)
&rst
ixpk= 1222, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1399,1400,
igr2=1404,1405,
&end
#
# 91 ASN HB- 91 ASN HD2+ 5.00 (# 1223:10 Unique 2.58, 3.51 A)
&rst
ixpk= 1223, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1399,1400,
igr2=1404,1405,
&end
#
# 0 AMB 10-2:1224 0 AMB 10-1:1224 6.00 (# 1224:10 Double Ambig)
&rst
ixpk= 1224, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 165, 827,
igr2= 822, 823, 822, 823,
&end
#
# 52 ASN HB+ 52 ASN HD2+ 4.00 (# 1225:10 Unique 2.43, 3.14 A)
&rst
ixpk= 1225, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 817, 818,
igr2= 822, 823,
&end
#
# 52 ASN HB- 52 ASN HD2+ 5.00 (# 1226:10 Unique 2.43, 3.14 A)
&rst
ixpk= 1226, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 817, 818,
igr2= 822, 823,
&end
#
# 12 THR MG2 52 ASN HD2+ 6.00 (# 1227:10 Unique 4.66, 5.83 A)
&rst
ixpk= 1227, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 157, 158, 159,
igr2= 822, 823,
&end
#
# 0 AMB 10-2:1229 52 ASN HD2- 4.00 (# 1229:10 Single Ambig)
&rst
ixpk= 1229, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 153, 815,
igr2= 822, 823,
&end
#
# 52 ASN HB+ 52 ASN HD2- 4.00 (# 1230:10 Unique 2.43, 3.14 A)
&rst
ixpk= 1230, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 817, 818,
igr2= 822, 823,
&end
#
# 52 ASN HB- 52 ASN HD2- 4.00 (# 1231:10 Unique 2.43, 3.14 A)
&rst
ixpk= 1231, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 817, 818,
igr2= 822, 823,
&end
#
# 12 THR MG2 52 ASN HD2- 6.00 (# 1232:10 Unique 4.66, 5.83 A)
&rst
ixpk= 1232, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 157, 158, 159,
igr2= 822, 823,
&end
#
# 0 AMB 10-2:1234 0 AMB 10-1:1234 6.00 (# 1234:10 Double Ambig)
&rst
ixpk= 1234, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 151, 813,
igr2= 822, 823, 822, 823,
&end
#
# 0 AMB 10-2:1236 0 AMB 10-1:1236 4.00 (# 1236:10 Double Ambig)
&rst
ixpk= 1236, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 153, 815,
igr2= 822, 823, 822, 823,
&end
#
# 6 GLN HG+ 6 GLN HE2+ 6.00 (# 1238:10 Unique 2.33, 3.39 A)
&rst
ixpk= 1238, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 88, 89,
igr2= 93, 94,
&end
#
# 6 GLN HG+ 6 GLN HE2- 6.00 (# 1239:10 Unique 2.33, 3.39 A)
&rst
ixpk= 1239, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 88, 89,
igr2= 93, 94,
&end
#
# 37 PHE HN 38 THR HN 5.00 (# 1240:10 Unique 4.49, 4.49 A)
&rst
ixpk= 1240, nxpk= 10, iat= 567, 587, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 37 PHE HD 38 THR HN 5.00 (# 1241:10 Unique 4.08, 4.98 A)
&rst
ixpk= 1241, nxpk= 10, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 575, 583,
&end
#
# 37 PHE HA 38 THR HN 4.00 (# 1242:10 Unique 1.98, 1.98 A)
&rst
ixpk= 1242, nxpk= 10, iat= 569, 587, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 38 THR HB 38 THR HN 4.00 (# 1244:10 Unique 2.57, 2.57 A)
&rst
ixpk= 1244, nxpk= 10, iat= 591, 587, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 37 PHE HB+ 38 THR HN 3.00 (# 1245:10 Unique 2.89, 3.36 A)
&rst
ixpk= 1245, nxpk= 10, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 571, 572,
&end
#
# 37 PHE HB- 38 THR HN 4.00 (# 1246:10 Unique 2.89, 3.36 A)
&rst
ixpk= 1246, nxpk= 10, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 571, 572,
&end
#
# 0 AMB 10-2:1247 38 THR HN 5.00 (# 1247:10 Single Ambig)
&rst
ixpk= 1247, nxpk= 10, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1=1230,1231,1232, 547, 548,
&end
#
# 0 AMB 10-2:1248 38 THR HN 4.00 (# 1248:10 Single Ambig)
&rst
ixpk= 1248, nxpk= 10, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 593, 594, 595, 607, 608, 609,
&end
#
# 23 TYR HD 72 GLY HN 6.00 (# 1251:10 Unique 5.99, 7.76 A)
&rst
ixpk= 1251, nxpk= 10, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 341, 350,
&end
#
# 0 AMB 10-2:1252 72 GLY HN 6.00 (# 1252:10 Single Ambig)
&rst
ixpk= 1252, nxpk= 10, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1132,1133,1048,1049,
&end
#
# 69 ALA HN 72 GLY HN 6.00 (# 1253:10 Unique 4.86, 4.86 A)
&rst
ixpk= 1253, nxpk= 10, iat=1074,1115, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 70 GLN HN 72 GLY HN 5.00 (# 1254:10 Unique 4.13, 4.13 A)
&rst
ixpk= 1254, nxpk= 10, iat=1084,1115, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 73 ILE HN 72 GLY HN 3.00 (# 1255:10 Unique 2.52, 2.52 A)
&rst
ixpk= 1255, nxpk= 10, iat=1122,1115, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 71 THR HN 72 GLY HN 3.00 (# 1256:10 Unique 2.48, 2.48 A)
&rst
ixpk= 1256, nxpk= 10, iat=1101,1115, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 73 ILE HA 72 GLY HN 6.00 (# 1257:10 Unique 5.28, 5.28 A)
&rst
ixpk= 1257, nxpk= 10, iat=1124,1115, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:1258 72 GLY HN 3.00 (# 1258:10 Single Ambig)
&rst
ixpk= 1258, nxpk= 10, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1117,1118,1076,
&end
#
# 72 GLY HA- 72 GLY HN 3.00 (# 1259:10 Unique 2.30, 2.59 A)
&rst
ixpk= 1259, nxpk= 10, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1117,1118,
&end
#
# 0 AMB 10-2:1260 72 GLY HN 6.00 (# 1260:10 Single Ambig)
&rst
ixpk= 1260, nxpk= 10, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1088,1089,1091,1092,
&end
#
# 73 ILE HB 72 GLY HN 5.00 (# 1261:10 Unique 4.59, 4.59 A)
&rst
ixpk= 1261, nxpk= 10, iat=1126,1115, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:1262 72 GLY HN 4.00 (# 1262:10 Single Ambig)
&rst
ixpk= 1262, nxpk= 10, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1107,1108,1109,1078,1079,1080,
&end
#
# 0 AMB 10-2:1263 72 GLY HN 5.00 (# 1263:10 Single Ambig)
&rst
ixpk= 1263, nxpk= 10, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
igr1=1135,1136,1137, 380, 381, 382, 384, 385, 386,1128,
1129,1130, 400, 401,
&end
#
# 105 PHE HD 106 THR HN 5.00 (# 1264:10 Preassigned 4.85, 5.50 A)
&rst
ixpk= 1264, nxpk= 10, iat= -1,1624, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1612,1620,
&end
#
# 105 PHE HA 106 THR HN 4.00 (# 1265:10 Unique 2.22, 2.22 A)
&rst
ixpk= 1265, nxpk= 10, iat=1606,1624, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 106 THR HA 106 THR HN 4.00 (# 1266:10 Unique 2.90, 2.90 A)
&rst
ixpk= 1266, nxpk= 10, iat=1626,1624, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 107 PRO HD+ 106 THR HN 6.00 (# 1268:10 Preassigned 4.84, 4.99 A)
&rst
ixpk= 1268, nxpk= 10, iat= -1,1624, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1639,1640,
&end
#
# 105 PHE HB+ 106 THR HN 4.00 (# 1270:10 Preassigned 3.84, 4.13 A)
&rst
ixpk= 1270, nxpk= 10, iat= -1,1624, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1608,1609,
&end
#
# 106 THR MG2 106 THR HN 3.00 (# 1272:10 Unique 2.74, 3.51 A)
&rst
ixpk= 1272, nxpk= 10, iat= -1,1624, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1630,1631,1632,
&end
#
# 0 AMB 10-2:1274 40 THR HN 6.00 (# 1274:10 Single Ambig)
&rst
ixpk= 1274, nxpk= 10, iat= -1, 615, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1176,1177,1178,1180,1181,1182, 638, 639, 640, 642,
643, 644,
&end
#
# 51 TYR HE 87 GLN HE2+ 6.00 (# 1275:10 Unique 6.71, 7.54 A)
&rst
ixpk= 1275, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 802, 807,
igr2=1352,1353,
&end
#
# 39 THR HN 40 THR HN 6.00 (# 1277:10 Unique 4.45, 4.45 A)
&rst
ixpk= 1277, nxpk= 10, iat= 601, 615, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 43 ASP HN 40 THR HN 5.00 (# 1278:10 Unique 4.39, 4.39 A)
&rst
ixpk= 1278, nxpk= 10, iat= 662, 615, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 39 THR HA 40 THR HN 3.00 (# 1279:10 Unique 2.22, 2.22 A)
&rst
ixpk= 1279, nxpk= 10, iat= 603, 615, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 40 THR HA 40 THR HN 3.00 (# 1280:10 Unique 2.89, 2.89 A)
&rst
ixpk= 1280, nxpk= 10, iat= 617, 615, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 43 ASP HA 40 THR HN 6.00 (# 1281:10 Unique 6.00, 6.00 A)
&rst
ixpk= 1281, nxpk= 10, iat= 664, 615, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 39 THR HB 40 THR HN 5.00 (# 1282:10 Unique 3.98, 3.98 A)
&rst
ixpk= 1282, nxpk= 10, iat= 605, 615, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 43 ASP HB- 40 THR HN 4.00 (# 1283:10 Unique 3.08, 3.54 A)
&rst
ixpk= 1283, nxpk= 10, iat= -1, 615, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 666, 667,
&end
#
# 0 AMB 10-2:1284 40 THR HN 6.00 (# 1284:10 Single Ambig)
&rst
ixpk= 1284, nxpk= 10, iat= -1, 615, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1171,1172, 633, 634,1275,1276,1174, 636,
&end
#
# 40 THR MG2 40 THR HN 4.00 (# 1285:10 Unique 3.84, 4.26 A)
&rst
ixpk= 1285, nxpk= 10, iat= -1, 615, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 621, 622, 623,
&end
#
# 0 AMB 10-2:1286 40 THR HN 4.00 (# 1286:10 Single Ambig)
&rst
ixpk= 1286, nxpk= 10, iat= -1, 615, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 607, 608, 609, 593, 594, 595,
&end
#
# 83 LYS HE+ 87 GLN HE2+ 6.00 (# 1287:10 Unique 4.09, 4.93 A)
&rst
ixpk= 1287, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1278,1279,
igr2=1352,1353,
&end
#
# 87 GLN HG- 87 GLN HE2+ 5.00 (# 1288:10 Unique 2.55, 3.50 A)
&rst
ixpk= 1288, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1347,1348,
igr2=1352,1353,
&end
#
# 87 GLN HG+ 87 GLN HE2+ 4.00 (# 1289:10 Unique 2.55, 3.50 A)
&rst
ixpk= 1289, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1347,1348,
igr2=1352,1353,
&end
#
# 0 AMB 10-2:1290 0 AMB 10-1:1290 5.00 (# 1290:10 Double Ambig)
&rst
ixpk= 1290, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1342,1289,
igr2=1352,1353,1352,1353,
&end
#
# 0 AMB 10-2:1291 0 AMB 10-1:1291 5.00 (# 1291:10 Double Ambig)
&rst
ixpk= 1291, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr1=1272,1273,1272,1273,
igr2=1352,1353,1352,1353,
&end
#
# 47 VAL MGX 87 GLN HE2+ 5.00 (# 1292:10 Unique 5.28, 6.04 A)
&rst
ixpk= 1292, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 733, 734, 735, 737, 738, 739,
igr2=1352,1353,
&end
#
# 87 GLN HB+ 87 GLN HE2+ 4.00 (# 1294:10 Unique 2.39, 3.50 A)
&rst
ixpk= 1294, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1344,1345,
igr2=1352,1353,
&end
#
# 47 VAL MGY 87 GLN HE2+ 5.00 (# 1295:10 Unique 5.28, 6.04 A)
&rst
ixpk= 1295, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 733, 734, 735, 737, 738, 739,
igr2=1352,1353,
&end
#
# 0 AMB 10-2:1297 87 GLN HE2- 6.00 (# 1297:10 Single Ambig)
&rst
ixpk= 1297, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1342,1289,
igr2=1352,1353,
&end
#
# 83 LYS HE+ 87 GLN HE2- 5.00 (# 1298:10 Unique 4.09, 4.93 A)
&rst
ixpk= 1298, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1278,1279,
igr2=1352,1353,
&end
#
# 87 GLN HG- 87 GLN HE2- 5.00 (# 1299:10 Unique 2.55, 3.50 A)
&rst
ixpk= 1299, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1347,1348,
igr2=1352,1353,
&end
#
# 87 GLN HG+ 87 GLN HE2- 5.00 (# 1300:10 Unique 2.55, 3.50 A)
&rst
ixpk= 1300, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1347,1348,
igr2=1352,1353,
&end
#
# 87 GLN HB+ 87 GLN HE2- 5.00 (# 1301:10 Unique 2.39, 3.50 A)
&rst
ixpk= 1301, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1344,1345,
igr2=1352,1353,
&end
#
# 0 AMB 10-2:1302 87 GLN HE2- 6.00 (# 1302:10 Single Ambig)
&rst
ixpk= 1302, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1275,1276, 774, 775,
igr2=1352,1353,
&end
#
# 0 AMB 10-2:1303 87 GLN HE2- 5.00 (# 1303:10 Single Ambig)
&rst
ixpk= 1303, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1272,1273,1272,1273,
igr2=1352,1353,
&end
#
# 47 VAL MGY 87 GLN HE2- 5.00 (# 1304:10 Unique 5.28, 6.04 A)
&rst
ixpk= 1304, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 733, 734, 735, 737, 738, 739,
igr2=1352,1353,
&end
#
# 0 AMB 10-2:1305 0 AMB 10-1:1305 6.00 (# 1305:10 Double Ambig)
&rst
ixpk= 1305, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1275,1276, 774, 775,
igr2=1352,1353,1352,1353,
&end
#
# 117 VAL HN 116 GLY HN 6.00 (# 1306:10 Unique 2.80, 2.80 A)
&rst
ixpk= 1306, nxpk= 10, iat=1786,1779, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 115 SER HA 116 GLY HN 6.00 (# 1308:10 Unique 3.13, 3.13 A)
&rst
ixpk= 1308, nxpk= 10, iat=1770,1779, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 116 GLY HA+ 116 GLY HN 3.00 (# 1309:10 Unique 2.28, 2.55 A)
&rst
ixpk= 1309, nxpk= 10, iat= -1,1779, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1781,1782,
&end
#
# 3 GLN HG+ 3 GLN HE2+ 4.00 (# 1312:10 Unique 2.41, 3.43 A)
&rst
ixpk= 1312, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 47, 48,
igr2= 52, 53,
&end
#
# 3 GLN HB+ 3 GLN HE2+ 6.00 (# 1313:10 Unique 2.58, 3.65 A)
&rst
ixpk= 1313, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 44, 45,
igr2= 52, 53,
&end
#
# 3 GLN HG+ 3 GLN HE2- 5.00 (# 1314:10 Unique 2.41, 3.43 A)
&rst
ixpk= 1314, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 47, 48,
igr2= 52, 53,
&end
#
# 56 LEU HN 45 ASN HD2+ 5.00 (# 1316:10 Unique 2.76, 3.35 A)
&rst
ixpk= 1316, nxpk= 10, iat= 877, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 703, 704,
&end
#
# 45 ASN HB+ 45 ASN HD2+ 5.00 (# 1317:10 Unique 2.59, 3.15 A)
&rst
ixpk= 1317, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 698, 699,
igr2= 703, 704,
&end
#
# 45 ASN HB- 45 ASN HD2+ 5.00 (# 1318:10 Unique 2.59, 3.15 A)
&rst
ixpk= 1318, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 698, 699,
igr2= 703, 704,
&end
#
# 41 LEU MDY 45 ASN HD2+ 4.00 (# 1319:10 Unique 3.71, 6.32 A)
&rst
ixpk= 1319, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 638, 639, 640, 642, 643, 644,
igr2= 703, 704,
&end
#
# 45 ASN HN 45 ASN HD2+ 6.00 (# 1320:10 Unique 4.35, 4.51 A)
&rst
ixpk= 1320, nxpk= 10, iat= 694, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 703, 704,
&end
#
# 90 MET HN 89 GLY HN 5.00 (# 1321:10 Unique 4.58, 4.58 A)
&rst
ixpk= 1321, nxpk= 10, iat=1378,1371, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 88 ASN HN 89 GLY HN 4.00 (# 1322:10 Unique 1.85, 1.85 A)
&rst
ixpk= 1322, nxpk= 10, iat=1357,1371, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 87 GLN HN 89 GLY HN 5.00 (# 1323:10 Unique 3.98, 3.98 A)
&rst
ixpk= 1323, nxpk= 10, iat=1340,1371, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 88 ASN HA 89 GLY HN 4.00 (# 1324:10 Unique 3.47, 3.47 A)
&rst
ixpk= 1324, nxpk= 10, iat=1359,1371, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 89 GLY HA+ 89 GLY HN 3.00 (# 1325:10 Unique 2.30, 2.59 A)
&rst
ixpk= 1325, nxpk= 10, iat= -1,1371, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1373,1374,
&end
#
# 0 AMB 10-2:1326 89 GLY HN 3.00 (# 1326:10 Single Ambig)
&rst
ixpk= 1326, nxpk= 10, iat= -1,1371, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1373,1374,1304,
&end
#
# 86 LEU HA 89 GLY HN 6.00 (# 1327:10 Unique 4.66, 4.66 A)
&rst
ixpk= 1327, nxpk= 10, iat=1323,1371, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 88 ASN HB+ 89 GLY HN 4.00 (# 1328:10 Unique 3.76, 4.09 A)
&rst
ixpk= 1328, nxpk= 10, iat= -1,1371, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1361,1362,
&end
#
# 0 AMB 10-2:1329 89 GLY HN 5.00 (# 1329:10 Single Ambig)
&rst
ixpk= 1329, nxpk= 10, iat= -1,1371, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1306,1307,1344,1345,
&end
#
# 85 LEU HB- 89 GLY HN 6.00 (# 1330:10 Unique 4.61, 4.83 A)
&rst
ixpk= 1330, nxpk= 10, iat= -1,1371, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1306,1307,
&end
#
# 0 AMB 10-2:1331 89 GLY HN 5.00 (# 1331:10 Single Ambig)
&rst
ixpk= 1331, nxpk= 10, iat= -1,1371, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1311,1312,1313,1315,1316,1317,1552,1553,1554,1556,
1557,1558,
&end
#
# 55 PRO HA 45 ASN HD2- 5.00 (# 1332:10 Unique 3.53, 3.69 A)
&rst
ixpk= 1332, nxpk= 10, iat= 873, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 703, 704,
&end
#
# 56 LEU HN 45 ASN HD2- 5.00 (# 1333:10 Unique 2.76, 3.35 A)
&rst
ixpk= 1333, nxpk= 10, iat= 877, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 703, 704,
&end
#
# 0 AMB 10-2:1334 45 ASN HD2- 5.00 (# 1334:10 Single Ambig)
&rst
ixpk= 1334, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 650, 696,
igr2= 703, 704,
&end
#
# 45 ASN HB+ 45 ASN HD2- 4.00 (# 1335:10 Unique 2.59, 3.15 A)
&rst
ixpk= 1335, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 698, 699,
igr2= 703, 704,
&end
#
# 45 ASN HB- 45 ASN HD2- 4.00 (# 1336:10 Unique 2.59, 3.15 A)
&rst
ixpk= 1336, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 698, 699,
igr2= 703, 704,
&end
#
# 0 AMB 10-2:1337 45 ASN HD2- 5.00 (# 1337:10 Single Ambig)
&rst
ixpk= 1337, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
igr1= 870, 871, 764, 765, 766,
igr2= 703, 704,
&end
#
# 0 AMB 10-2:1338 45 ASN HD2- 5.00 (# 1338:10 Single Ambig)
&rst
ixpk= 1338, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 870, 871, 881, 882,
igr2= 703, 704,
&end
#
# 0 AMB 10-2:1339 45 ASN HD2- 4.00 (# 1339:10 Single Ambig)
&rst
ixpk= 1339, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 633, 634, 636,
igr2= 703, 704,
&end
#
# 41 LEU MDY 45 ASN HD2- 5.00 (# 1340:10 Unique 3.71, 6.32 A)
&rst
ixpk= 1340, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 638, 639, 640, 642, 643, 644,
igr2= 703, 704,
&end
#
# 0 AMB 10-2:1341 0 AMB 10-1:1341 4.00 (# 1341:10 Double Ambig)
&rst
ixpk= 1341, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 870, 871, 881, 882,
igr2= 703, 704, 703, 704,
&end
#
# 41 LEU HG 45 ASN HD2+ 4.00 (# 1342:10 Preassigned 4.22, 4.83 A)
&rst
ixpk= 1342, nxpk= 10, iat= 636, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 703, 704,
&end
#
# 45 ASN HN 45 ASN HD2- 6.00 (# 1343:10 Unique 4.35, 4.51 A)
&rst
ixpk= 1343, nxpk= 10, iat= 694, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 703, 704,
&end
#
# 0 AMB 10-2:1345 0 AMB 10-1:1345 6.00 (# 1345:10 Double Ambig)
&rst
ixpk= 1345, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
igr1= 870, 871, 764, 765, 766,
igr2= 703, 704, 703, 704,
&end
#
# 64 LEU HG 65 GLY HN 6.00 (# 1346:10 Preassigned 4.69, 4.69 A)
&rst
ixpk= 1346, nxpk= 10, iat=1011,1023, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 70 GLN HN 70 GLN HE2+ 6.00 (# 1347:10 Unique 3.44, 4.27 A)
&rst
ixpk= 1347, nxpk= 10, iat=1084, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1096,1097,
&end
#
# 0 AMB 10-2:1351 70 GLN HE2- 5.00 (# 1351:10 Single Ambig)
&rst
ixpk= 1351, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1091,1092,1088,1089,
igr2=1096,1097,
&end
#
# 0 AMB 10-2:1352 70 GLN HE2- 6.00 (# 1352:10 Single Ambig)
&rst
ixpk= 1352, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.31, r4= 9.81,
igr1=1051,1078,1079,1080,1107,1108,1109,
igr2=1096,1097,
&end
#
# 64 LEU HN 65 GLY HN 4.00 (# 1353:10 Unique 2.71, 2.71 A)
&rst
ixpk= 1353, nxpk= 10, iat=1004,1023, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 62 ASP HA 65 GLY HN 4.00 (# 1354:10 Unique 3.40, 3.40 A)
&rst
ixpk= 1354, nxpk= 10, iat= 975,1023, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:1355 65 GLY HN 3.00 (# 1355:10 Single Ambig)
&rst
ixpk= 1355, nxpk= 10, iat= -1,1023, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1025,1026,1006,
&end
#
# 65 GLY HA- 65 GLY HN 3.00 (# 1356:10 Unique 2.30, 2.49 A)
&rst
ixpk= 1356, nxpk= 10, iat= -1,1023, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1025,1026,
&end
#
# 66 PRO HD- 65 GLY HN 4.00 (# 1357:10 Unique 3.09, 3.10 A)
&rst
ixpk= 1357, nxpk= 10, iat= -1,1023, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1031,1032,
&end
#
# 64 LEU HB+ 65 GLY HN 4.00 (# 1358:10 Unique 3.31, 3.71 A)
&rst
ixpk= 1358, nxpk= 10, iat= -1,1023, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1008,1009,
&end
#
# 64 LEU HB- 65 GLY HN 5.00 (# 1359:10 Unique 3.31, 3.71 A)
&rst
ixpk= 1359, nxpk= 10, iat= -1,1023, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1008,1009,
&end
#
# 0 AMB 10-2:1360 65 GLY HN 6.00 (# 1360:10 Single Ambig)
&rst
ixpk= 1360, nxpk= 10, iat= -1,1023, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1157,1158,1159,1161,1162,1163, 995, 996,
&end
#
# 63 ILE QG2 65 GLY HN 5.00 (# 1361:10 Preassigned 5.22, 5.82 A)
&rst
ixpk= 1361, nxpk= 10, iat= -1,1023, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 991, 992, 993,
&end
#
# 70 GLN HG+ 70 GLN HE2+ 4.00 (# 1363:10 Unique 2.47, 3.46 A)
&rst
ixpk= 1363, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1091,1092,
igr2=1096,1097,
&end
#
# 0 AMB 10-2:1364 0 AMB 10-1:1364 4.00 (# 1364:10 Double Ambig)
&rst
ixpk= 1364, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=1091,1092,1088,1089,
igr2=1096,1097,1096,1097,
&end
#
# 70 GLN HB- 70 GLN HE2+ 6.00 (# 1365:10 Unique 2.50, 3.53 A)
&rst
ixpk= 1365, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1088,1089,
igr2=1096,1097,
&end
#
# 67 LEU MDX 70 GLN HE2+ 5.00 (# 1366:10 Unique 2.81, 5.15 A)
&rst
ixpk= 1366, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1053,1054,1055,1057,1058,1059,
igr2=1096,1097,
&end
#
# 0 AMB 10-2:1367 0 AMB 10-1:1367 5.00 (# 1367:10 Double Ambig)
&rst
ixpk= 1367, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
igr1=1053,1054,1055,1057,1058,1059, 403, 404, 405,
igr2=1096,1097,1096,1097,
&end
#
# 0 AMB 10-2:1368 0 AMB 10-1:1368 6.00 (# 1368:10 Double Ambig)
&rst
ixpk= 1368, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.19, r4=11.69,
igr1=1051,1078,1079,1080,1107,1108,1109,
igr2=1096,1097,1096,1097,1096,1097,
&end
#
# 70 GLN HB- 70 GLN HE2- 6.00 (# 1369:10 Unique 2.50, 3.53 A)
&rst
ixpk= 1369, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1088,1089,
igr2=1096,1097,
&end
#
# 67 LEU MDX 70 GLN HE2- 5.00 (# 1370:10 Unique 2.81, 5.15 A)
&rst
ixpk= 1370, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1053,1054,1055,1057,1058,1059,
igr2=1096,1097,
&end
#
# 0 AMB 10-2:1371 70 GLN HE2- 5.00 (# 1371:10 Single Ambig)
&rst
ixpk= 1371, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1053,1054,1055,1057,1058,1059, 403, 404, 405,
igr2=1096,1097,
&end
#
# 10 THR HN 9 GLY HN 6.00 (# 1372:10 Unique 4.33, 4.33 A)
&rst
ixpk= 1372, nxpk= 10, iat= 125, 118, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 8 ALA HA 9 GLY HN 4.00 (# 1374:10 Unique 2.39, 2.39 A)
&rst
ixpk= 1374, nxpk= 10, iat= 110, 118, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 9 GLY HA- 9 GLY HN 4.00 (# 1375:10 Unique 2.81, 2.84 A)
&rst
ixpk= 1375, nxpk= 10, iat= -1, 118, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 120, 121,
&end
#
# 8 ALA MB 9 GLY HN 5.00 (# 1376:10 Unique 2.39, 3.24 A)
&rst
ixpk= 1376, nxpk= 10, iat= -1, 118, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 112, 113, 114,
&end
#
# 73 ILE HN 74 ALA HN 6.00 (# 1379:10 Unique 4.16, 4.16 A)
&rst
ixpk= 1379, nxpk= 10, iat=1122,1141, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:1381 74 ALA HN 6.00 (# 1381:10 Single Ambig)
&rst
ixpk= 1381, nxpk= 10, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1151,1167,
&end
#
# 73 ILE HA 74 ALA HN 3.00 (# 1383:10 Unique 2.14, 2.14 A)
&rst
ixpk= 1383, nxpk= 10, iat=1124,1141, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 74 ALA HA 74 ALA HN 4.00 (# 1384:10 Unique 2.86, 2.86 A)
&rst
ixpk= 1384, nxpk= 10, iat=1143,1141, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 77 ASP HB+ 74 ALA HN 5.00 (# 1385:10 Unique 3.37, 3.56 A)
&rst
ixpk= 1385, nxpk= 10, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1190,1191,
&end
#
# 77 ASP HB- 74 ALA HN 6.00 (# 1386:10 Unique 3.37, 3.56 A)
&rst
ixpk= 1386, nxpk= 10, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1190,1191,
&end
#
# 0 AMB 10-2:1387 74 ALA HN 6.00 (# 1387:10 Single Ambig)
&rst
ixpk= 1387, nxpk= 10, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1126,1155,
&end
#
# 74 ALA MB 74 ALA HN 3.00 (# 1388:10 Unique 2.49, 2.87 A)
&rst
ixpk= 1388, nxpk= 10, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1145,1146,1147,
&end
#
# 0 AMB 10-2:1389 74 ALA HN 6.00 (# 1389:10 Single Ambig)
&rst
ixpk= 1389, nxpk= 10, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1=1132,1133, 593, 594, 595,
&end
#
# 73 ILE QG2 74 ALA HN 4.00 (# 1390:10 Unique 3.66, 4.23 A)
&rst
ixpk= 1390, nxpk= 10, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1128,1129,1130,
&end
#
# 30 ASP HN 29 GLY HN 3.00 (# 1392:10 Unique 1.80, 1.80 A)
&rst
ixpk= 1392, nxpk= 10, iat= 430, 423, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 29 GLY HA+ 29 GLY HN 3.00 (# 1393:10 Unique 2.55, 2.77 A)
&rst
ixpk= 1393, nxpk= 10, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 425, 426,
&end
#
# 29 GLY HA- 29 GLY HN 3.00 (# 1394:10 Unique 2.55, 2.77 A)
&rst
ixpk= 1394, nxpk= 10, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 425, 426,
&end
#
# 0 AMB 10-2:1395 29 GLY HN 6.00 (# 1395:10 Single Ambig)
&rst
ixpk= 1395, nxpk= 10, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 368, 369, 370,1480,
&end
#
# 0 AMB 10-2:1396 29 GLY HN 5.00 (# 1396:10 Single Ambig)
&rst
ixpk= 1396, nxpk= 10, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
igr1= 396, 397, 398, 380, 381, 382, 384, 385, 386, 400,
401,
&end
#
# 30 ASP HB- 29 GLY HN 6.00 (# 1397:10 Unique 3.99, 4.00 A)
&rst
ixpk= 1397, nxpk= 10, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 434, 435,
&end
#
# 28 ASN HA 29 GLY HN 4.00 (# 1398:10 Unique 3.50, 3.50 A)
&rst
ixpk= 1398, nxpk= 10, iat= 411, 423, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 28 ASN HB+ 29 GLY HN 5.00 (# 1399:10 Unique 3.11, 3.33 A)
&rst
ixpk= 1399, nxpk= 10, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 413, 414,
&end
#
# 28 ASN HB- 29 GLY HN 5.00 (# 1400:10 Unique 3.11, 3.33 A)
&rst
ixpk= 1400, nxpk= 10, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 413, 414,
&end
#
# 0 AMB 10-2:1401 29 GLY HN 6.00 (# 1401:10 Single Ambig)
&rst
ixpk= 1401, nxpk= 10, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 394,1477,1478,
&end
#
# 28 ASN HN 29 GLY HN 4.00 (# 1402:10 Unique 2.63, 2.63 A)
&rst
ixpk= 1402, nxpk= 10, iat= 409, 423, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 32 TRP HE1 94 THR HN 6.00 (# 1404:10 Unique 4.74, 4.74 A)
&rst
ixpk= 1404, nxpk= 10, iat= 476,1440, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 95 ILE HN 94 THR HN 6.00 (# 1405:10 Unique 4.51, 4.51 A)
&rst
ixpk= 1405, nxpk= 10, iat=1454,1440, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 93 ARG HN 94 THR HN 5.00 (# 1406:10 Unique 4.54, 4.54 A)
&rst
ixpk= 1406, nxpk= 10, iat=1416,1440, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 32 TRP HZ2 94 THR HN 6.00 (# 1407:10 Unique 4.62, 4.62 A)
&rst
ixpk= 1407, nxpk= 10, iat= 479,1440, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 94 THR HA 94 THR HN 4.00 (# 1408:10 Unique 2.99, 2.99 A)
&rst
ixpk= 1408, nxpk= 10, iat=1442,1440, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 93 ARG HA 94 THR HN 4.00 (# 1410:10 Unique 2.23, 2.23 A)
&rst
ixpk= 1410, nxpk= 10, iat=1418,1440, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 94 THR HB 94 THR HN 5.00 (# 1411:10 Unique 3.64, 3.64 A)
&rst
ixpk= 1411, nxpk= 10, iat=1444,1440, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 93 ARG HD+ 94 THR HN 5.00 (# 1412:10 Unique 2.73, 3.42 A)
&rst
ixpk= 1412, nxpk= 10, iat= -1,1440, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1426,1427,
&end
#
# 93 ARG HB- 94 THR HN 4.00 (# 1413:10 Unique 2.51, 3.19 A)
&rst
ixpk= 1413, nxpk= 10, iat= -1,1440, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1420,1421,
&end
#
# 94 THR MG2 94 THR HN 3.00 (# 1414:10 Unique 2.95, 3.71 A)
&rst
ixpk= 1414, nxpk= 10, iat= -1,1440, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1446,1447,1448,
&end
#
# 17 ASN HA 17 ASN HD2- 5.00 (# 1416:10 Preassigned 4.36, 4.49 A)
&rst
ixpk= 1416, nxpk= 10, iat= 233, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 240, 241,
&end
#
# 104 GLU HA 17 ASN HD2- 5.00 (# 1417:10 Unique 3.33, 3.95 A)
&rst
ixpk= 1417, nxpk= 10, iat=1591, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 240, 241,
&end
#
# 17 ASN HA 17 ASN HD2+ 6.00 (# 1418:10 Unique 4.36, 4.49 A)
&rst
ixpk= 1418, nxpk= 10, iat= 233, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 240, 241,
&end
#
# 14 ILE HB 17 ASN HD2+ 5.00 (# 1419:10 Unique 3.15, 3.47 A)
&rst
ixpk= 1419, nxpk= 10, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 240, 241,
&end
#
# 14 ILE QG2 17 ASN HD2+ 5.00 (# 1420:10 Unique 2.95, 4.13 A)
&rst
ixpk= 1420, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 185, 186, 187,
igr2= 240, 241,
&end
#
# 104 GLU HA 17 ASN HD2+ 5.00 (# 1422:10 Unique 3.33, 3.95 A)
&rst
ixpk= 1422, nxpk= 10, iat=1591, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 240, 241,
&end
#
# 17 ASN HB+ 17 ASN HD2+ 4.00 (# 1423:10 Unique 2.49, 3.13 A)
&rst
ixpk= 1423, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 235, 236,
igr2= 240, 241,
&end
#
# 17 ASN HB+ 17 ASN HD2- 4.00 (# 1425:10 Unique 2.49, 3.13 A)
&rst
ixpk= 1425, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 235, 236,
igr2= 240, 241,
&end
#
# 14 ILE HB 17 ASN HD2- 5.00 (# 1426:10 Unique 3.15, 3.47 A)
&rst
ixpk= 1426, nxpk= 10, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 240, 241,
&end
#
# 20 ALA MB 17 ASN HD2- 5.00 (# 1427:10 Preassigned 6.13, 6.94 A)
&rst
ixpk= 1427, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 284, 285, 286,
igr2= 240, 241,
&end
#
# 14 ILE QG2 17 ASN HD2- 5.00 (# 1428:10 Unique 2.95, 4.13 A)
&rst
ixpk= 1428, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 185, 186, 187,
igr2= 240, 241,
&end
#
# 91 ASN HN 92 GLY HN 5.00 (# 1431:10 Unique 2.84, 2.84 A)
&rst
ixpk= 1431, nxpk= 10, iat=1395,1409, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 91 ASN HA 92 GLY HN 4.00 (# 1433:10 Unique 2.97, 2.97 A)
&rst
ixpk= 1433, nxpk= 10, iat=1397,1409, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 92 GLY HA- 92 GLY HN 3.00 (# 1434:10 Unique 2.63, 2.80 A)
&rst
ixpk= 1434, nxpk= 10, iat= -1,1409, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1411,1412,
&end
#
# 0 AMB 10-2:1435 92 GLY HN 5.00 (# 1435:10 Single Ambig)
&rst
ixpk= 1435, nxpk= 10, iat= -1,1409, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1=1385,1386,1389,1390,1391,
&end
#
# 93 ARG HN 92 GLY HN 4.00 (# 1436:10 Unique 2.50, 2.50 A)
&rst
ixpk= 1436, nxpk= 10, iat=1416,1409, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 91 ASN HB+ 92 GLY HN 5.00 (# 1437:10 Unique 4.14, 4.35 A)
&rst
ixpk= 1437, nxpk= 10, iat= -1,1409, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1399,1400,
&end
#
# 0 AMB 10-2:1438 92 GLY HN 5.00 (# 1438:10 Single Ambig)
&rst
ixpk= 1438, nxpk= 10, iat= -1,1409, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1382,1383,1399,1400,
&end
#
# 92 GLY HA+ 92 GLY HN 3.00 (# 1439:10 Unique 2.63, 2.80 A)
&rst
ixpk= 1439, nxpk= 10, iat= -1,1409, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1411,1412,
&end
#
# 93 ARG HB+ 92 GLY HN 6.00 (# 1440:10 Unique 4.02, 4.62 A)
&rst
ixpk= 1440, nxpk= 10, iat= -1,1409, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1420,1421,
&end
#
# 93 ARG HG+ 92 GLY HN 6.00 (# 1441:10 Unique 5.52, 5.88 A)
&rst
ixpk= 1441, nxpk= 10, iat= -1,1409, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1423,1424,
&end
#
# 96 LEU HN 97 GLY HN 4.00 (# 1442:10 Unique 2.79, 2.79 A)
&rst
ixpk= 1442, nxpk= 10, iat=1473,1492, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 95 ILE HN 97 GLY HN 5.00 (# 1443:10 Unique 3.62, 3.62 A)
&rst
ixpk= 1443, nxpk= 10, iat=1454,1492, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 98 SER HN 97 GLY HN 4.00 (# 1444:10 Unique 2.95, 2.95 A)
&rst
ixpk= 1444, nxpk= 10, iat=1499,1492, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:1445 97 GLY HN 6.00 (# 1445:10 Single Ambig)
&rst
ixpk= 1445, nxpk= 10, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1442, 432,
&end
#
# 0 AMB 10-2:1446 97 GLY HN 6.00 (# 1446:10 Single Ambig)
&rst
ixpk= 1446, nxpk= 10, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1503,1504,1512,
&end
#
# 97 GLY HA+ 97 GLY HN 3.00 (# 1447:10 Unique 2.30, 2.60 A)
&rst
ixpk= 1447, nxpk= 10, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1494,1495,
&end
#
# 96 LEU HA 97 GLY HN 3.00 (# 1448:10 Unique 2.82, 2.82 A)
&rst
ixpk= 1448, nxpk= 10, iat=1475,1492, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 97 GLY HA- 97 GLY HN 3.00 (# 1449:10 Unique 2.30, 2.60 A)
&rst
ixpk= 1449, nxpk= 10, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1494,1495,
&end
#
# 0 AMB 10-2:1450 97 GLY HN 6.00 (# 1450:10 Single Ambig)
&rst
ixpk= 1450, nxpk= 10, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1477,1478,1464,1465,
&end
#
# 0 AMB 10-2:1451 97 GLY HN 6.00 (# 1451:10 Single Ambig)
&rst
ixpk= 1451, nxpk= 10, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1477,1478,1458,
&end
#
# 94 THR MG2 97 GLY HN 5.00 (# 1452:10 Unique 4.95, 5.38 A)
&rst
ixpk= 1452, nxpk= 10, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1446,1447,1448,
&end
#
# 0 AMB 10-2:1453 97 GLY HN 5.00 (# 1453:10 Single Ambig)
&rst
ixpk= 1453, nxpk= 10, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1482,1483,1484,1486,1487,1488,1464,1465,
&end
#
# 95 ILE QG2 97 GLY HN 6.00 (# 1454:10 Unique 5.18, 5.75 A)
&rst
ixpk= 1454, nxpk= 10, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1460,1461,1462,
&end
#
# 0 AMB 10-2:1455 97 GLY HN 6.00 (# 1455:10 Single Ambig)
&rst
ixpk= 1455, nxpk= 10, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1480, 368, 369, 370,
&end
#
# 72 GLY HN 71 THR HN 3.00 (# 1456:10 Unique 2.48, 2.48 A)
&rst
ixpk= 1456, nxpk= 10, iat=1115,1101, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 70 GLN HN 71 THR HN 4.00 (# 1457:10 Unique 2.72, 2.72 A)
&rst
ixpk= 1457, nxpk= 10, iat=1084,1101, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 73 ILE HN 71 THR HN 5.00 (# 1458:10 Unique 3.79, 3.79 A)
&rst
ixpk= 1458, nxpk= 10, iat=1122,1101, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 23 TYR HD 71 THR HN 5.00 (# 1459:10 Unique 4.61, 6.31 A)
&rst
ixpk= 1459, nxpk= 10, iat= -1,1101, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 341, 350,
&end
#
# 23 TYR HE 71 THR HN 5.00 (# 1460:10 Unique 4.71, 6.40 A)
&rst
ixpk= 1460, nxpk= 10, iat= -1,1101, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 343, 348,
&end
#
# 71 THR HA 71 THR HN 3.00 (# 1461:10 Unique 2.97, 2.97 A)
&rst
ixpk= 1461, nxpk= 10, iat=1103,1101, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:1462 71 THR HN 4.00 (# 1462:10 Single Ambig)
&rst
ixpk= 1462, nxpk= 10, iat= -1,1101, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1076,1117,1118,
&end
#
# 67 LEU HA 71 THR HN 5.00 (# 1463:10 Unique 4.17, 4.17 A)
&rst
ixpk= 1463, nxpk= 10, iat=1046,1101, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 70 GLN HG+ 71 THR HN 6.00 (# 1464:10 Unique 4.69, 4.91 A)
&rst
ixpk= 1464, nxpk= 10, iat= -1,1101, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1091,1092,
&end
#
# 70 GLN HB+ 71 THR HN 4.00 (# 1465:10 Unique 2.77, 3.13 A)
&rst
ixpk= 1465, nxpk= 10, iat= -1,1101, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1088,1089,
&end
#
# 70 GLN HB- 71 THR HN 4.00 (# 1466:10 Unique 2.77, 3.13 A)
&rst
ixpk= 1466, nxpk= 10, iat= -1,1101, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1088,1089,
&end
#
# 71 THR MG2 71 THR HN 3.00 (# 1467:10 Unique 2.55, 3.37 A)
&rst
ixpk= 1467, nxpk= 10, iat= -1,1101, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1107,1108,1109,
&end
#
# 69 ALA HN 71 THR HN 6.00 (# 1468:10 Unique 4.19, 4.19 A)
&rst
ixpk= 1468, nxpk= 10, iat=1074,1101, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 23 TYR HB- 71 THR HN 6.00 (# 1469:10 Unique 5.82, 6.60 A)
&rst
ixpk= 1469, nxpk= 10, iat= -1,1101, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 337, 338,
&end
#
# 0 AMB 10-2:1470 71 THR HN 6.00 (# 1470:10 Single Ambig)
&rst
ixpk= 1470, nxpk= 10, iat= -1,1101, r1= 1.30, r2= 1.80, r3=10.12, r4=10.62,
igr1= 400, 401,1135,1136,1137, 380, 381, 382, 384, 385,
386,1053,1054,1055,1057,1058,1059,1128,1129,1130,
396, 397, 398,
&end
#
# 0 AMB 10-2:1471 71 THR HN 6.00 (# 1471:10 Single Ambig)
&rst
ixpk= 1471, nxpk= 10, iat= -1,1101, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 403, 404, 405,1053,1054,1055,1057,1058,1059,
&end
#
# 83 LYS HG+ 48 ALA HN 5.00 (# 1472:10 Preassigned 5.46, 6.35 A)
&rst
ixpk= 1472, nxpk= 10, iat= -1, 743, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1272,1273,
&end
#
# 0 AMB 10-2:1473 48 ALA HN 5.00 (# 1473:10 Single Ambig)
&rst
ixpk= 1473, nxpk= 10, iat= -1, 743, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 698, 699, 666, 667,
&end
#
# 0 AMB 10-2:1474 48 ALA HN 6.00 (# 1474:10 Single Ambig)
&rst
ixpk= 1474, nxpk= 10, iat= -1, 743, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 831, 832, 783, 784,
&end
#
# 0 AMB 10-2:1475 0 AMB 10-1:1475 6.00 (# 1475:10 Double Ambig)
&rst
ixpk= 1475, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 26, 27, 831, 832,
igr2= 16, 743,
&end
#
# 44 PHE HA 48 ALA HN 5.00 (# 1476:10 Unique 3.98, 3.98 A)
&rst
ixpk= 1476, nxpk= 10, iat= 676, 743, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 46 LEU HA 48 ALA HN 5.00 (# 1477:10 Preassigned 4.80, 4.80 A)
&rst
ixpk= 1477, nxpk= 10, iat= 710, 743, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 3 GLN HG+ 3 GLN HN 6.00 (# 1479:10 Unique 2.32, 3.01 A)
&rst
ixpk= 1479, nxpk= 10, iat= -1, 40, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 47, 48,
&end
#
# 0 AMB 10-2:1483 5 ALA HN 4.00 (# 1483:10 Single Ambig)
&rst
ixpk= 1483, nxpk= 10, iat= -1, 71, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 59, 73,
&end
#
# 5 ALA MB 5 ALA HN 5.00 (# 1484:10 Unique 2.91, 3.43 A)
&rst
ixpk= 1484, nxpk= 10, iat= -1, 71, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 75, 76, 77,
&end
#
# 4 THR MG2 5 ALA HN 6.00 (# 1485:10 Unique 3.74, 4.47 A)
&rst
ixpk= 1485, nxpk= 10, iat= -1, 71, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 63, 64, 65,
&end
#
# 6 GLN HG+ 7 ALA HN 6.00 (# 1486:10 Unique 3.88, 4.40 A)
&rst
ixpk= 1486, nxpk= 10, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 88, 89,
&end
#
# 119 PHE HE 119 PHE HN 6.00 (# 1487:10 Unique 6.72, 7.08 A)
&rst
ixpk= 1487, nxpk= 10, iat= -1,1816, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1826,1830,
&end
#
# 117 VAL MGX 119 PHE HN 6.00 (# 1488:10 Unique 5.72, 7.72 A)
&rst
ixpk= 1488, nxpk= 10, iat= -1,1816, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1792,1793,1794,1796,1797,1798,
&end
#
# 52 ASN HD2- 12 THR HN 6.00 (# 1491:10 Unique 4.53, 5.30 A)
&rst
ixpk= 1491, nxpk= 10, iat= -1, 151, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 822, 823,
&end
#
# 53 TYR HB- 13 THR HN 6.00 (# 1494:10 Preassigned 5.22, 5.34 A)
&rst
ixpk= 1494, nxpk= 10, iat= -1, 165, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 831, 832,
&end
#
# 53 TYR HB+ 13 THR HN 6.00 (# 1495:10 Unique 5.22, 5.34 A)
&rst
ixpk= 1495, nxpk= 10, iat= -1, 165, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 831, 832,
&end
#
# 52 ASN HD2- 13 THR HN 6.00 (# 1496:10 Unique 4.50, 4.58 A)
&rst
ixpk= 1496, nxpk= 10, iat= -1, 165, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 822, 823,
&end
#
# 15 THR HN 14 ILE HN 6.00 (# 1497:10 Unique 4.16, 4.16 A)
&rst
ixpk= 1497, nxpk= 10, iat= 198, 179, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:1501 15 THR HN 6.00 (# 1501:10 Single Ambig)
&rst
ixpk= 1501, nxpk= 10, iat= -1, 198, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 831, 832, 235, 236,
&end
#
# 0 AMB 10-2:1502 16 LEU HN 6.00 (# 1502:10 Single Ambig)
&rst
ixpk= 1502, nxpk= 10, iat= -1, 212, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 235, 236, 235, 236, 831, 832,
&end
#
# 20 ALA HN 17 ASN HN 6.00 (# 1503:10 Unique 4.50, 4.50 A)
&rst
ixpk= 1503, nxpk= 10, iat= 280, 231, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 17 ASN HD2- 17 ASN HN 6.00 (# 1505:10 Unique 4.63, 4.77 A)
&rst
ixpk= 1505, nxpk= 10, iat= -1, 231, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 240, 241,
&end
#
# 0 AMB 10-2:1506 17 ASN HN 6.00 (# 1506:10 Single Ambig)
&rst
ixpk= 1506, nxpk= 10, iat= -1, 231, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 202, 292,
&end
#
# 18 VAL HA 17 ASN HN 6.00 (# 1507:10 Unique 5.17, 5.17 A)
&rst
ixpk= 1507, nxpk= 10, iat= 247, 231, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:1508 17 ASN HN 6.00 (# 1508:10 Single Ambig)
&rst
ixpk= 1508, nxpk= 10, iat= -1, 231, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 200, 294, 295,
&end
#
# 19 LEU HG 17 ASN HN 6.00 (# 1509:10 Unique 5.61, 5.61 A)
&rst
ixpk= 1509, nxpk= 10, iat= 268, 231, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 16 LEU HN 19 LEU HN 6.00 (# 1510:10 Unique 4.96, 4.96 A)
&rst
ixpk= 1510, nxpk= 10, iat= 212, 261, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 17 ASN HA 19 LEU HN 6.00 (# 1511:10 Unique 4.41, 4.41 A)
&rst
ixpk= 1511, nxpk= 10, iat= 233, 261, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 19 LEU HB- 20 ALA HN 3.00 (# 1512:10 Unique 2.54, 3.03 A)
&rst
ixpk= 1512, nxpk= 10, iat= -1, 280, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 265, 266,
&end
#
# 16 LEU MDX 20 ALA HN 5.00 (# 1513:10 Preassigned 5.04, 6.36 A)
&rst
ixpk= 1513, nxpk= 10, iat= -1, 280, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 221, 222, 223, 225, 226, 227,
&end
#
# 0 AMB 10-2:1514 21 TRP HN 6.00 (# 1514:10 Single Ambig)
&rst
ixpk= 1514, nxpk= 10, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1566,1567, 323, 324, 325, 327, 328, 329,
&end
#
# 21 TRP HZ3 22 LEU HN 6.00 (# 1515:10 Preassigned 4.91, 4.91 A)
&rst
ixpk= 1515, nxpk= 10, iat= 307, 314, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 26 VAL HN 24 ALA HN 5.00 (# 1516:10 Unique 4.40, 4.40 A)
&rst
ixpk= 1516, nxpk= 10, iat= 374, 354, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:1517 24 ALA HN 6.00 (# 1517:10 Single Ambig)
&rst
ixpk= 1517, nxpk= 10, iat= -1, 354, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 341, 350, 418, 419,
&end
#
# 0 AMB 10-2:1518 24 ALA HN 5.00 (# 1518:10 Single Ambig)
&rst
ixpk= 1518, nxpk= 10, iat= -1, 354, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 316, 294, 295,
&end
#
# 0 AMB 10-2:1520 24 ALA HN 5.00 (# 1520:10 Single Ambig)
&rst
ixpk= 1520, nxpk= 10, iat= -1, 354, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 394, 318, 319,1477,1478,
&end
#
# 96 LEU MDX 24 ALA HN 6.00 (# 1522:10 Unique 4.64, 6.33 A)
&rst
ixpk= 1522, nxpk= 10, iat= -1, 354, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1482,1483,1484,1486,1487,1488,
&end
#
# 96 LEU MDY 25 ALA HN 5.00 (# 1523:10 Unique 2.93, 4.46 A)
&rst
ixpk= 1523, nxpk= 10, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1482,1483,1484,1486,1487,1488,
&end
#
# 66 PRO HB- 69 ALA HN 6.00 (# 1525:10 Preassigned 5.55, 5.60 A)
&rst
ixpk= 1525, nxpk= 10, iat= -1,1074, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1037,1038,
&end
#
# 0 AMB 10-2:1526 0 AMB 10-1:1526 5.00 (# 1526:10 Double Ambig)
&rst
ixpk= 1526, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr1=1088,1089, 318, 319,1008,1009,1034,1035,
igr2=1074, 364,
&end
#
# 70 GLN HG- 69 ALA HN 6.00 (# 1527:10 Unique 4.96, 5.71 A)
&rst
ixpk= 1527, nxpk= 10, iat= -1,1074, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1091,1092,
&end
#
# 22 LEU HA 25 ALA HN 4.00 (# 1528:10 Unique 3.28, 3.28 A)
&rst
ixpk= 1528, nxpk= 10, iat= 316, 364, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 28 ASN HN 27 ILE HN 4.00 (# 1529:10 Unique 2.78, 2.78 A)
&rst
ixpk= 1529, nxpk= 10, iat= 409, 390, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:1530 27 ILE HN 6.00 (# 1530:10 Single Ambig)
&rst
ixpk= 1530, nxpk= 10, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 418, 419,1101,
&end
#
# 24 ALA HA 27 ILE HN 4.00 (# 1531:10 Unique 3.40, 3.40 A)
&rst
ixpk= 1531, nxpk= 10, iat= 356, 390, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:1532 27 ILE HN 6.00 (# 1532:10 Single Ambig)
&rst
ixpk= 1532, nxpk= 10, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 337, 338, 413, 414,
&end
#
# 28 ASN HB+ 27 ILE HN 6.00 (# 1533:10 Unique 4.79, 5.53 A)
&rst
ixpk= 1533, nxpk= 10, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 413, 414,
&end
#
# 96 LEU MDX 27 ILE HN 6.00 (# 1534:10 Unique 5.88, 7.00 A)
&rst
ixpk= 1534, nxpk= 10, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1482,1483,1484,1486,1487,1488,
&end
#
# 0 AMB 10-2:1535 27 ILE HN 4.00 (# 1535:10 Single Ambig)
&rst
ixpk= 1535, nxpk= 10, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1107,1108,1109, 358, 359, 360,
&end
#
# 25 ALA HA 28 ASN HN 4.00 (# 1537:10 Unique 3.46, 3.46 A)
&rst
ixpk= 1537, nxpk= 10, iat= 366, 409, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 96 LEU MDX 28 ASN HN 6.00 (# 1538:10 Unique 3.96, 5.51 A)
&rst
ixpk= 1538, nxpk= 10, iat= -1, 409, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1482,1483,1484,1486,1487,1488,
&end
#
# 30 ASP HA 29 GLY HN 6.00 (# 1539:10 Unique 4.64, 4.64 A)
&rst
ixpk= 1539, nxpk= 10, iat= 432, 423, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 26 VAL MGY 29 GLY HN 6.00 (# 1541:10 Unique 5.77, 6.58 A)
&rst
ixpk= 1541, nxpk= 10, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 380, 381, 382, 384, 385, 386,
&end
#
# 0 AMB 10-2:1542 30 ASP HN 5.00 (# 1542:10 Single Ambig)
&rst
ixpk= 1542, nxpk= 10, iat= -1, 430, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 409, 474,
&end
#
# 0 AMB 10-2:1543 30 ASP HN 6.00 (# 1543:10 Single Ambig)
&rst
ixpk= 1543, nxpk= 10, iat= -1, 430, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 418, 419, 466,
&end
#
# 31 ARG HD- 31 ARG HN 6.00 (# 1548:10 Unique 4.88, 5.42 A)
&rst
ixpk= 1548, nxpk= 10, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 452, 453,
&end
#
# 0 AMB 10-2:1555 32 TRP HN 6.00 (# 1555:10 Single Ambig)
&rst
ixpk= 1555, nxpk= 10, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1311,1312,1313,1315,1316,1317,1426,1427,
&end
#
# 35 ASN HB+ 35 ASN HN 4.00 (# 1556:10 Unique 3.43, 3.64 A)
&rst
ixpk= 1556, nxpk= 10, iat= -1, 529, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 533, 534,
&end
#
# 0 AMB 10-2:1557 37 PHE HN 6.00 (# 1557:10 Single Ambig)
&rst
ixpk= 1557, nxpk= 10, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 538, 539, 577, 581,
&end
#
# 0 AMB 10-2:1559 39 THR HN 6.00 (# 1559:10 Single Ambig)
&rst
ixpk= 1559, nxpk= 10, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1167,1151,
&end
#
# 41 LEU HN 40 THR HN 6.00 (# 1560:10 Unique 4.68, 4.68 A)
&rst
ixpk= 1560, nxpk= 10, iat= 629, 615, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 44 PHE HB- 40 THR HN 6.00 (# 1561:10 Unique 5.56, 5.85 A)
&rst
ixpk= 1561, nxpk= 10, iat= -1, 615, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 678, 679,
&end
#
# 43 ASP HB+ 40 THR HN 4.00 (# 1563:10 Unique 3.08, 3.54 A)
&rst
ixpk= 1563, nxpk= 10, iat= -1, 615, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 666, 667,
&end
#
# 0 AMB 10-2:1564 41 LEU HN 6.00 (# 1564:10 Single Ambig)
&rst
ixpk= 1564, nxpk= 10, iat= -1, 629, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 662, 703, 704,
&end
#
# 44 PHE HB- 41 LEU HN 6.00 (# 1565:10 Unique 4.92, 5.25 A)
&rst
ixpk= 1565, nxpk= 10, iat= -1, 629, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 678, 679,
&end
#
# 40 THR MG2 42 ASN HN 5.00 (# 1567:10 Unique 3.25, 4.07 A)
&rst
ixpk= 1567, nxpk= 10, iat= -1, 648, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 621, 622, 623,
&end
#
# 0 AMB 10-2:1568 43 ASP HN 3.00 (# 1568:10 Single Ambig)
&rst
ixpk= 1568, nxpk= 10, iat= -1, 662, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 666, 667, 652, 653,
&end
#
# 83 LYS HE+ 47 VAL HN 6.00 (# 1570:10 Unique 5.29, 6.16 A)
&rst
ixpk= 1570, nxpk= 10, iat= -1, 727, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1278,1279,
&end
#
# 0 AMB 10-2:1571 47 VAL HN 6.00 (# 1571:10 Single Ambig)
&rst
ixpk= 1571, nxpk= 10, iat= -1, 727, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 698, 699, 760, 761, 666, 667,
&end
#
# 51 TYR HD 49 MET HN 6.00 (# 1573:10 Unique 4.80, 6.88 A)
&rst
ixpk= 1573, nxpk= 10, iat= -1, 753, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 800, 809,
&end
#
# 49 MET HG- 49 MET HN 4.00 (# 1574:10 Unique 2.23, 2.82 A)
&rst
ixpk= 1574, nxpk= 10, iat= -1, 753, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 760, 761,
&end
#
# 53 TYR HB+ 49 MET HN 6.00 (# 1575:10 Unique 3.87, 4.47 A)
&rst
ixpk= 1575, nxpk= 10, iat= -1, 753, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 831, 832,
&end
#
# 48 ALA HN 50 LYS HN 6.00 (# 1576:10 Unique 4.44, 4.44 A)
&rst
ixpk= 1576, nxpk= 10, iat= 743, 770, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 47 VAL HN 50 LYS HN 6.00 (# 1577:10 Unique 5.39, 5.39 A)
&rst
ixpk= 1577, nxpk= 10, iat= 727, 770, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 53 TYR HB+ 51 TYR HN 6.00 (# 1578:10 Unique 4.03, 4.91 A)
&rst
ixpk= 1578, nxpk= 10, iat= -1, 792, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 831, 832,
&end
#
# 0 AMB 10-2:1579 53 TYR HN 5.00 (# 1579:10 Single Ambig)
&rst
ixpk= 1579, nxpk= 10, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 792, 770,
&end
#
# 0 AMB 10-2:1581 56 LEU HN 6.00 (# 1581:10 Single Ambig)
&rst
ixpk= 1581, nxpk= 10, iat= -1, 877, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 864, 865, 214,
&end
#
# 0 AMB 10-2:1582 56 LEU HN 6.00 (# 1582:10 Single Ambig)
&rst
ixpk= 1582, nxpk= 10, iat= -1, 877, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 864, 865, 155, 912,
&end
#
# 0 AMB 10-2:1585 57 THR HN 6.00 (# 1585:10 Single Ambig)
&rst
ixpk= 1585, nxpk= 10, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 957, 703, 704,
&end
#
# 57 THR HN 58 GLN HN 6.00 (# 1586:10 Unique 4.42, 4.42 A)
&rst
ixpk= 1586, nxpk= 10, iat= 896, 910, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 57 THR HB 58 GLN HN 4.00 (# 1587:10 Unique 2.28, 2.28 A)
&rst
ixpk= 1587, nxpk= 10, iat= 900, 910, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 57 THR MG2 58 GLN HN 5.00 (# 1588:10 Unique 4.04, 4.51 A)
&rst
ixpk= 1588, nxpk= 10, iat= -1, 910, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 902, 903, 904,
&end
#
# 0 AMB 10-2:1589 58 GLN HN 6.00 (# 1589:10 Single Ambig)
&rst
ixpk= 1589, nxpk= 10, iat= -1, 910, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 963, 964, 965, 967, 968, 969, 963, 964, 965, 967,
968, 969,
&end
#
# 41 LEU MDY 58 GLN HN 5.00 (# 1590:10 Unique 3.78, 5.34 A)
&rst
ixpk= 1590, nxpk= 10, iat= -1, 910, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 638, 639, 640, 642, 643, 644,
&end
#
# 57 THR HN 59 ASP HN 6.00 (# 1591:10 Unique 4.58, 4.58 A)
&rst
ixpk= 1591, nxpk= 10, iat= 896, 927, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 56 LEU HA 60 HIS HN 6.00 (# 1592:10 Unique 4.94, 4.94 A)
&rst
ixpk= 1592, nxpk= 10, iat= 879, 939, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 57 THR HN 61 VAL HN 6.00 (# 1593:10 Unique 3.53, 3.53 A)
&rst
ixpk= 1593, nxpk= 10, iat= 896, 957, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 56 LEU HA 61 VAL HN 6.00 (# 1594:10 Unique 5.56, 5.56 A)
&rst
ixpk= 1594, nxpk= 10, iat= 879, 957, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 57 THR HA 61 VAL HN 6.00 (# 1595:10 Unique 5.04, 5.04 A)
&rst
ixpk= 1595, nxpk= 10, iat= 898, 957, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 62 ASP HB- 61 VAL HN 6.00 (# 1596:10 Unique 5.09, 5.23 A)
&rst
ixpk= 1596, nxpk= 10, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 977, 978,
&end
#
# 58 GLN HE2- 62 ASP HN 6.00 (# 1597:10 Unique 2.95, 3.54 A)
&rst
ixpk= 1597, nxpk= 10, iat= -1, 973, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 922, 923,
&end
#
# 60 HIS HD2 63 ILE HN 6.00 (# 1600:10 Unique 6.44, 6.44 A)
&rst
ixpk= 1600, nxpk= 10, iat= 953, 985, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 62 ASP HB+ 64 LEU HN 6.00 (# 1601:10 Preassigned 5.31, 5.66 A)
&rst
ixpk= 1601, nxpk= 10, iat= -1,1004, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 977, 978,
&end
#
# 23 TYR HE 72 GLY HN 6.00 (# 1603:10 Unique 5.18, 7.12 A)
&rst
ixpk= 1603, nxpk= 10, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 343, 348,
&end
#
# 0 AMB 10-2:1604 72 GLY HN 4.00 (# 1604:10 Single Ambig)
&rst
ixpk= 1604, nxpk= 10, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1103,1105,
&end
#
# 77 ASP HN 74 ALA HN 6.00 (# 1605:10 Unique 4.29, 4.29 A)
&rst
ixpk= 1605, nxpk= 10, iat=1186,1141, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 23 TYR HE 74 ALA HN 6.00 (# 1606:10 Unique 5.38, 6.64 A)
&rst
ixpk= 1606, nxpk= 10, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 343, 348,
&end
#
# 68 SER HB+ 74 ALA HN 6.00 (# 1607:10 Unique 4.76, 5.59 A)
&rst
ixpk= 1607, nxpk= 10, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1067,1068,
&end
#
# 77 ASP HN 75 VAL HN 6.00 (# 1608:10 Unique 4.36, 4.36 A)
&rst
ixpk= 1608, nxpk= 10, iat=1186,1151, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 23 TYR HE 75 VAL HN 6.00 (# 1609:10 Unique 5.56, 5.75 A)
&rst
ixpk= 1609, nxpk= 10, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 343, 348,
&end
#
# 74 ALA HN 77 ASP HN 6.00 (# 1611:10 Unique 4.29, 4.29 A)
&rst
ixpk= 1611, nxpk= 10, iat=1141,1186, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 81 ALA HN 78 MET HN 6.00 (# 1612:10 Unique 4.73, 4.73 A)
&rst
ixpk= 1612, nxpk= 10, iat=1236,1198, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 79 CYS HA 78 MET HN 6.00 (# 1613:10 Unique 5.44, 5.44 A)
&rst
ixpk= 1613, nxpk= 10, iat=1217,1198, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:1614 79 CYS HN 5.00 (# 1614:10 Single Ambig)
&rst
ixpk= 1614, nxpk= 10, iat= -1,1215, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1157,1158,1159,1161,1162,1163,1250,1251,
&end
#
# 35 ASN HD2- 81 ALA HN 6.00 (# 1615:10 Unique 2.81, 3.40 A)
&rst
ixpk= 1615, nxpk= 10, iat= -1,1236, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 538, 539,
&end
#
# 0 AMB 10-2:1616 81 ALA HN 6.00 (# 1616:10 Single Ambig)
&rst
ixpk= 1616, nxpk= 10, iat= -1,1236, r1= 1.30, r2= 1.80, r3=11.19, r4=11.69,
igr1=1128,1129,1130,1135,1136,1137,1157,1158,1159,1161,
1162,1163, 380, 381, 382, 384, 385, 386, 638, 639,
640, 642, 643, 644,1013,1014,1015,1017,1018,1019,
733, 734, 735, 737, 738, 739, 251, 252, 253, 255,
256, 257,
&end
#
# 82 LEU HG 82 LEU HN 5.00 (# 1619:10 Preassigned 4.46, 4.46 A)
&rst
ixpk= 1619, nxpk= 10, iat=1253,1246, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:1620 87 GLN HN 5.00 (# 1620:10 Single Ambig)
&rst
ixpk= 1620, nxpk= 10, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1371,1366,1367,
&end
#
# 88 ASN HA 87 GLN HN 6.00 (# 1621:10 Unique 5.36, 5.36 A)
&rst
ixpk= 1621, nxpk= 10, iat=1359,1340, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 88 ASN HB+ 87 GLN HN 6.00 (# 1622:10 Unique 4.67, 5.42 A)
&rst
ixpk= 1622, nxpk= 10, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1361,1362,
&end
#
# 0 AMB 10-2:1623 87 GLN HN 5.00 (# 1623:10 Single Ambig)
&rst
ixpk= 1623, nxpk= 10, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1272,1273,1272,1273,
&end
#
# 86 LEU HB- 87 GLN HN 4.00 (# 1624:10 Unique 2.37, 2.91 A)
&rst
ixpk= 1624, nxpk= 10, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1325,1326,
&end
#
# 86 LEU HB- 88 ASN HN 6.00 (# 1626:10 Unique 4.83, 5.17 A)
&rst
ixpk= 1626, nxpk= 10, iat= -1,1357, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1325,1326,
&end
#
# 86 LEU HB+ 88 ASN HN 6.00 (# 1627:10 Unique 4.83, 5.17 A)
&rst
ixpk= 1627, nxpk= 10, iat= -1,1357, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1325,1326,
&end
#
# 88 ASN HD2+ 89 GLY HN 6.00 (# 1628:10 Unique 2.81, 3.27 A)
&rst
ixpk= 1628, nxpk= 10, iat= -1,1371, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1366,1367,
&end
#
# 0 AMB 10-2:1629 89 GLY HN 6.00 (# 1629:10 Single Ambig)
&rst
ixpk= 1629, nxpk= 10, iat= -1,1371, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1399,1400,1347,1348,1382,1383,
&end
#
# 92 GLY HA- 91 ASN HN 6.00 (# 1632:10 Unique 5.23, 5.37 A)
&rst
ixpk= 1632, nxpk= 10, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1411,1412,
&end
#
# 32 TRP HH2 95 ILE HN 6.00 (# 1634:10 Preassigned 7.58, 7.58 A)
&rst
ixpk= 1634, nxpk= 10, iat= 481,1454, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 95 ILE HN 96 LEU HN 6.00 (# 1635:10 Unique 4.21, 4.21 A)
&rst
ixpk= 1635, nxpk= 10, iat=1454,1473, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:1636 96 LEU HN 6.00 (# 1636:10 Single Ambig)
&rst
ixpk= 1636, nxpk= 10, iat= -1,1473, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1499, 364, 430,
&end
#
# 0 AMB 10-2:1638 96 LEU HN 6.00 (# 1638:10 Single Ambig)
&rst
ixpk= 1638, nxpk= 10, iat= -1,1473, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 432,1442,
&end
#
# 100 ILE HB 99 THR HN 6.00 (# 1640:10 Preassigned 5.77, 5.77 A)
&rst
ixpk= 1640, nxpk= 10, iat=1528,1510, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:1641 99 THR HN 5.00 (# 1641:10 Single Ambig)
&rst
ixpk= 1641, nxpk= 10, iat= -1,1510, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1=1389,1390,1391,1385,1386,
&end
#
# 100 ILE HG1+ 99 THR HN 5.00 (# 1642:10 Preassigned 3.56, 3.69 A)
&rst
ixpk= 1642, nxpk= 10, iat= -1,1510, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1534,1535,
&end
#
# 98 SER HB- 100 ILE HN 5.00 (# 1643:10 Unique 2.35, 2.87 A)
&rst
ixpk= 1643, nxpk= 10, iat= -1,1524, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1503,1504,
&end
#
# 105 PHE HE 105 PHE HN 6.00 (# 1646:10 Preassigned 4.93, 5.63 A)
&rst
ixpk= 1646, nxpk= 10, iat= -1,1604, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1614,1618,
&end
#
# 103 ASP HA 105 PHE HN 6.00 (# 1647:10 Unique 3.25, 3.25 A)
&rst
ixpk= 1647, nxpk= 10, iat=1579,1604, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 21 TRP HB- 105 PHE HN 6.00 (# 1648:10 Unique 4.04, 4.62 A)
&rst
ixpk= 1648, nxpk= 10, iat= -1,1604, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 294, 295,
&end
#
# 102 GLU HG+ 105 PHE HN 6.00 (# 1650:10 Preassigned 7.13, 7.47 A)
&rst
ixpk= 1650, nxpk= 10, iat= -1,1604, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1569,1570,
&end
#
# 111 VAL HB 112 ARG HN 5.00 (# 1657:10 Unique 2.73, 2.73 A)
&rst
ixpk= 1657, nxpk= 10, iat=1704,1716, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 117 VAL MGY 115 SER HN 6.00 (# 1660:10 Unique 3.90, 5.93 A)
&rst
ixpk= 1660, nxpk= 10, iat= -1,1768, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1792,1793,1794,1796,1797,1798,
&end
#
# 114 CYS HB- 115 SER HN 6.00 (# 1661:10 Unique 3.17, 3.61 A)
&rst
ixpk= 1661, nxpk= 10, iat= -1,1768, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1761,1762,
&end
#
# 117 VAL MGY 116 GLY HN 6.00 (# 1664:10 Unique 4.34, 6.32 A)
&rst
ixpk= 1664, nxpk= 10, iat= -1,1779, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1792,1793,1794,1796,1797,1798,
&end
#
# 118 THR HN 117 VAL HN 5.00 (# 1665:10 Unique 4.57, 4.57 A)
&rst
ixpk= 1665, nxpk= 10, iat=1802,1786, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 117 VAL MGY 117 VAL HN 4.00 (# 1669:10 Unique 2.10, 3.77 A)
&rst
ixpk= 1669, nxpk= 10, iat= -1,1786, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1792,1793,1794,1796,1797,1798,
&end
#
# 40 THR HB 42 ASN HN 4.00 (# 1670:10 Unique 2.80, 2.80 A)
&rst
ixpk= 1670, nxpk= 10, iat= 619, 648, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 84 GLU HG+ 88 ASN HD2- 6.00 (# 1671:10 Unique 4.90, 5.24 A)
&rst
ixpk= 1671, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1294,1295,
igr2=1366,1367,
&end
#
# 58 GLN HB+ 58 GLN HE2- 6.00 (# 1672:10 Unique 3.99, 4.44 A)
&rst
ixpk= 1672, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 914, 915,
igr2= 922, 923,
&end
#
# 10 THR MG2 52 ASN HD2- 6.00 (# 1673:10 Preassigned 6.48, 8.36 A)
&rst
ixpk= 1673, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 131, 132, 133,
igr2= 822, 823,
&end
#
# 21 TRP HB+ 21 TRP HE1 6.00 (# 1675:10 Preassigned 4.79, 5.02 A)
&rst
ixpk= 1675, nxpk= 10, iat= -1, 300, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 294, 295,
&end
#
# 98 SER HB+ 21 TRP HE1 6.00 (# 1676:10 Unique 3.80, 4.43 A)
&rst
ixpk= 1676, nxpk= 10, iat= -1, 300, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1503,1504,
&end
#
# 95 ILE QG2 21 TRP HE1 6.00 (# 1677:10 Unique 4.02, 5.04 A)
&rst
ixpk= 1677, nxpk= 10, iat= -1, 300, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1460,1461,1462,
&end
#
# 3 GLN HB+ 3 GLN HE2- 6.00 (# 1683:10 Unique 2.58, 3.65 A)
&rst
ixpk= 1683, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 44, 45,
igr2= 52, 53,
&end
#
# 62 ASP HA 58 GLN HE2- 6.00 (# 1685:10 Unique 4.17, 4.40 A)
&rst
ixpk= 1685, nxpk= 10, iat= 975, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 922, 923,
&end
#
# 0 AMB 10-2:1686 0 AMB 10-1:1686 6.00 (# 1686:10 Double Ambig)
&rst
ixpk= 1686, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 390, 364, 430,
igr2= 418, 419, 418, 419, 418, 419,
&end
#
# 27 ILE HB 28 ASN HD2- 5.00 (# 1687:10 Unique 3.54, 4.12 A)
&rst
ixpk= 1687, nxpk= 10, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 418, 419,
&end
#
# 0 AMB 10-2:1688 0 AMB 10-1:1688 6.00 (# 1688:10 Double Ambig)
&rst
ixpk= 1688, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 165, 118, 827,
igr2= 822, 823, 93, 94,
&end
#
# 0 AMB 10-2:1689 52 ASN HD2- 5.00 (# 1689:10 Single Ambig)
&rst
ixpk= 1689, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 151, 813,
igr2= 822, 823,
&end
#
# 46 LEU MDX 42 ASN HD2+ 6.00 (# 1690:10 Unique 4.06, 5.48 A)
&rst
ixpk= 1690, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 717, 718, 719, 721, 722, 723,
igr2= 657, 658,
&end
#
# 44 PHE HD 45 ASN HD2+ 6.00 (# 1691:10 Unique 4.74, 7.08 A)
&rst
ixpk= 1691, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 682, 690,
igr2= 703, 704,
&end
#
# 44 PHE HD 45 ASN HD2- 6.00 (# 1692:10 Unique 4.74, 7.08 A)
&rst
ixpk= 1692, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 682, 690,
igr2= 703, 704,
&end
#
# 41 LEU HA 45 ASN HD2- 6.00 (# 1693:10 Unique 5.31, 5.61 A)
&rst
ixpk= 1693, nxpk= 10, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 703, 704,
&end
#
# 41 LEU HA 45 ASN HD2+ 6.00 (# 1694:10 Unique 5.31, 5.61 A)
&rst
ixpk= 1694, nxpk= 10, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 703, 704,
&end
#
# 55 PRO HA 45 ASN HD2+ 5.00 (# 1695:10 Unique 3.53, 3.69 A)
&rst
ixpk= 1695, nxpk= 10, iat= 873, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 703, 704,
&end
#
# 0 AMB 10-2:1696 0 AMB 10-1:1696 5.00 (# 1696:10 Double Ambig)
&rst
ixpk= 1696, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 650, 696,
igr2= 703, 704, 703, 704,
&end
#
# 97 GLY HA- 96 LEU HN 6.00 (# 1697:10 Unique 5.09, 5.26 A)
&rst
ixpk= 1697, nxpk= 10, iat= -1,1473, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1494,1495,
&end
#
# 0 AMB 10-2:1698 14 ILE HN 6.00 (# 1698:10 Single Ambig)
&rst
ixpk= 1698, nxpk= 10, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 235, 236, 831, 832,
&end
#
# 35 ASN HD2- 35 ASN HN 6.00 (# 1699:10 Unique 2.62, 3.06 A)
&rst
ixpk= 1699, nxpk= 10, iat= -1, 529, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 538, 539,
&end
#
# 69 ALA MB 69 ALA HN 3.00 (# 1700:10 Unique 2.51, 2.88 A)
&rst
ixpk= 1700, nxpk= 10, iat= -1,1074, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1078,1079,1080,
&end
#
# 0 AMB 10-2:1701 70 GLN HN 5.00 (# 1701:10 Single Ambig)
&rst
ixpk= 1701, nxpk= 10, iat= -1,1084, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 403, 404, 405,1053,1054,1055,1057,1058,1059,
&end
#
# 82 LEU HB- 82 LEU HN 3.00 (# 1702:10 Unique 2.18, 2.39 A)
&rst
ixpk= 1702, nxpk= 10, iat= -1,1246, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1250,1251,
&end
#
# 113 GLN HG- 113 GLN HN 5.00 (# 1703:10 Unique 2.41, 3.01 A)
&rst
ixpk= 1703, nxpk= 10, iat= -1,1740, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1747,1748,
&end
#
# 0 AMB 10-2:1704 8 ALA HN 3.00 (# 1704:10 Single Ambig)
&rst
ixpk= 1704, nxpk= 10, iat= -1, 108, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 100, 110,
&end
#
# 0 AMB 10-2:1705 44 PHE HN 6.00 (# 1705:10 Single Ambig)
&rst
ixpk= 1705, nxpk= 10, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 727, 657, 658,
&end
#
# 119 PHE HE 118 THR HN 6.00 (# 1707:10 Unique 10.53,10.74 A)
&rst
ixpk= 1707, nxpk= 10, iat= -1,1802, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1826,1830,
&end
#
# 51 TYR HE 87 GLN HE2- 6.00 (# 1709:10 Unique 6.71, 7.54 A)
&rst
ixpk= 1709, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 802, 807,
igr2=1352,1353,
&end
#
# 93 ARG HN 90 MET HN 6.00 (# 1710:10 Unique 5.82, 5.82 A)
&rst
ixpk= 1710, nxpk= 10, iat=1416,1378, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 43 ASP HA 46 LEU HN 4.00 (# 1711:10 Unique 3.55, 3.55 A)
&rst
ixpk= 1711, nxpk= 10, iat= 664, 708, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:1715 111 VAL HN 4.00 (# 1715:10 Single Ambig)
&rst
ixpk= 1715, nxpk= 10, iat= -1,1700, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1706,1707,1708,1710,1711,1712,1706,1707,1708,1710,
1711,1712,
&end
#
# 113 GLN HN 112 ARG HN 6.00 (# 1716:10 Preassigned 2.79, 2.79 A)
&rst
ixpk= 1716, nxpk= 10, iat=1740,1716, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 111 VAL HN 112 ARG HN 5.00 (# 1717:10 Unique 2.93, 2.93 A)
&rst
ixpk= 1717, nxpk= 10, iat=1700,1716, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 117 VAL HA 117 VAL HN 4.00 (# 1718:10 Unique 2.90, 2.90 A)
&rst
ixpk= 1718, nxpk= 10, iat=1788,1786, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 115 SER HN 116 GLY HN 6.00 (# 1719:10 Unique 2.25, 2.25 A)
&rst
ixpk= 1719, nxpk= 10, iat=1768,1779, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 62 ASP HB- 65 GLY HN 6.00 (# 1722:10 Unique 5.42, 5.53 A)
&rst
ixpk= 1722, nxpk= 10, iat= -1,1023, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 977, 978,
&end
#
# 0 AMB 10-2:1724 17 ASN HN 6.00 (# 1724:10 Single Ambig)
&rst
ixpk= 1724, nxpk= 10, iat= -1, 231, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 181, 294, 295,
&end
#
# 51 TYR HE 50 LYS HN 6.00 (# 1729:10 Unique 4.40, 6.03 A)
&rst
ixpk= 1729, nxpk= 10, iat= -1, 770, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 802, 807,
&end
#
# 0 AMB 10-2:1732 95 ILE HN 5.00 (# 1732:10 Single Ambig)
&rst
ixpk= 1732, nxpk= 10, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1494,1495,1418,
&end
#
# 74 ALA HA 76 LEU HN 6.00 (# 1733:10 Unique 4.22, 4.22 A)
&rst
ixpk= 1733, nxpk= 10, iat=1143,1167, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 74 ALA HA 77 ASP HN 6.00 (# 1734:10 Unique 4.68, 4.68 A)
&rst
ixpk= 1734, nxpk= 10, iat=1143,1186, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:1735 76 LEU HN 4.00 (# 1735:10 Single Ambig)
&rst
ixpk= 1735, nxpk= 10, iat= -1,1167, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1157,1158,1159,1161,1162,1163, 963, 964, 965, 967,
968, 969,
&end
#
# 86 LEU HB+ 86 LEU HN 4.00 (# 1736:10 Preassigned 2.44, 3.04 A)
&rst
ixpk= 1736, nxpk= 10, iat= -1,1321, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1325,1326,
&end
#
# 78 MET HB- 79 CYS HN 4.00 (# 1737:10 Unique 2.89, 3.46 A)
&rst
ixpk= 1737, nxpk= 10, iat= -1,1215, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1202,1203,
&end
#
# 94 THR MG2 99 THR HN 4.00 (# 1738:10 Unique 3.87, 4.82 A)
&rst
ixpk= 1738, nxpk= 10, iat= -1,1510, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1446,1447,1448,
&end
#
# 29 GLY HA- 28 ASN HN 5.00 (# 1739:10 Preassigned 5.00, 5.17 A)
&rst
ixpk= 1739, nxpk= 10, iat= -1, 409, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 425, 426,
&end
#
# 50 LYS HA 49 MET HN 6.00 (# 1740:10 Unique 5.51, 5.51 A)
&rst
ixpk= 1740, nxpk= 10, iat= 772, 753, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 50 LYS HA 52 ASN HN 6.00 (# 1741:10 Unique 3.72, 3.72 A)
&rst
ixpk= 1741, nxpk= 10, iat= 772, 813, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 90 MET ME 90 MET HN 6.00 (# 1742:10 Preassigned 4.50, 4.86 A)
&rst
ixpk= 1742, nxpk= 10, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1389,1390,1391,
&end
#
# 10 THR MG2 52 ASN HD2+ 6.00 (# 1744:10 Preassigned 6.48, 8.36 A)
&rst
ixpk= 1744, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 131, 132, 133,
igr2= 822, 823,
&end
#
# 0 AMB 10-2:1745 0 AMB 10-1:1745 4.00 (# 1745:10 Double Ambig)
&rst
ixpk= 1745, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 674,1409,
igr2= 648,1378,
&end
#
# 0 AMB 10-2:1746 91 ASN HN 6.00 (# 1746:10 Single Ambig)
&rst
ixpk= 1746, nxpk= 10, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1404,1405,1416,
&end
#
# 38 THR HB 39 THR HN 5.00 (# 1748:10 Preassigned 4.48, 4.48 A)
&rst
ixpk= 1748, nxpk= 10, iat= 591, 601, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 41 LEU MDY 44 PHE HN 6.00 (# 1749:10 Preassigned 5.60, 7.21 A)
&rst
ixpk= 1749, nxpk= 10, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 638, 639, 640, 642, 643, 644,
&end
#
# 110 VAL HB 109 ASP HN 6.00 (# 1750:10 Preassigned 4.78, 4.78 A)
&rst
ixpk= 1750, nxpk= 10, iat=1688,1672, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 56 LEU MDY 60 HIS HN 6.00 (# 1751:10 Preassigned 5.14, 6.18 A)
&rst
ixpk= 1751, nxpk= 10, iat= -1, 939, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 886, 887, 888, 890, 891, 892,
&end
#
# 82 LEU HB+ 19 LEU HN 5.00 (# 1752:10 Preassigned 5.72, 6.06 A)
&rst
ixpk= 1752, nxpk= 10, iat= -1, 261, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1250,1251,
&end
#
# 82 LEU MDY 18 VAL HN 5.00 (# 1753:10 Preassigned 5.54, 6.82 A)
&rst
ixpk= 1753, nxpk= 10, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1255,1256,1257,1259,1260,1261,
&end
#
# 27 ILE HG1- 25 ALA HN 6.00 (# 1754:10 Preassigned 6.08, 6.79 A)
&rst
ixpk= 1754, nxpk= 10, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 400, 401,
&end
#
# 16 LEU MDX 16 LEU HN 4.00 (# 1756:10 Preassigned 4.53, 5.10 A)
&rst
ixpk= 1756, nxpk= 10, iat= -1, 212, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 221, 222, 223, 225, 226, 227,
&end
#
# 64 LEU MDY 67 LEU HN 5.00 (# 1757:10 Preassigned 5.12, 6.66 A)
&rst
ixpk= 1757, nxpk= 10, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1013,1014,1015,1017,1018,1019,
&end
#
# 61 VAL MGY 60 HIS HN 5.00 (# 1758:10 Preassigned 4.65, 6.29 A)
&rst
ixpk= 1758, nxpk= 10, iat= -1, 939, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 963, 964, 965, 967, 968, 969,
&end
#
# 83 LYS HG- 48 ALA HN 5.00 (# 1760:10 Preassigned 5.46, 6.35 A)
&rst
ixpk= 1760, nxpk= 10, iat= -1, 743, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1272,1273,
&end
#
# 61 VAL MGX 58 GLN HB- 6.00 (# 1235:20 Unique 2.84, 3.47 A)
&rst
ixpk= 1235, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 963, 964, 965, 967, 968, 969,
igr2= 914, 915,
&end
#
# 49 MET HN 50 LYS HA 6.00 (# 3298:20 Preassigned 3.72, 3.72 A)
&rst
ixpk= 3298, nxpk= 20, iat= 753, 772, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 39 THR HB 76 LEU MDY 5.00 (# 3299:20 Preassigned 3.75, 5.31 A)
&rst
ixpk= 3299, nxpk= 20, iat= 605, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1176,1177,1178,1180,1181,1182,
&end
#
# 28 ASN HN 29 GLY HA+ 5.00 (# 2622:20 Unique 2.98, 3.24 A)
&rst
ixpk= 2622, nxpk= 20, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 425, 426,
&end
#
# 22 LEU HA 96 LEU MDX 5.00 (# 3020:20 Preassigned 5.69, 8.02 A)
&rst
ixpk= 3020, nxpk= 20, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1482,1483,1484,1486,1487,1488,
&end
#
# 61 VAL MGY 58 GLN HG+ 5.00 (# 3302:20 Preassigned 5.30, 6.60 A)
&rst
ixpk= 3302, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 963, 964, 965, 967, 968, 969,
igr2= 917, 918,
&end
#
# 83 LYS HG- 44 PHE HB+ 5.00 (# 3309:20 Preassigned 5.85, 6.99 A)
&rst
ixpk= 3309, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1272,1273,
igr2= 678, 679,
&end
#
# 66 PRO HG+ 67 LEU MDX 6.00 (# 2078:20 Preassigned 3.83, 4.47 A)
&rst
ixpk= 2078, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1034,1035,
igr2=1053,1054,1055,1057,1058,1059,
&end
#
# 32 TRP HH2 101 LEU HB+ 6.00 (# 3049:20 Preassigned 4.59, 6.62 A)
&rst
ixpk= 3049, nxpk= 20, iat= 481, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1547,1548,
&end
#
# 21 TRP HH2 101 LEU HA 6.00 (# 1744:20 Preassigned 4.59, 6.62 A)
&rst
ixpk= 1744, nxpk= 20, iat= 305,1545, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 21 TRP HE3 101 LEU MDX 6.00 (# 2080:20 Preassigned 4.59, 6.62 A)
&rst
ixpk= 2080, nxpk= 20, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1552,1553,1554,1556,1557,1558,
&end
#
# 32 TRP HE3 33 PHE HA 4.00 (# 258:20 Preassigned 6.86, 6.86 A)
&rst
ixpk= 258, nxpk= 20, iat= 485, 492, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 21 TRP HE3 18 VAL MGY 6.00 (# 2198:20 Preassigned 5.46, 7.10 A)
&rst
ixpk= 2198, nxpk= 20, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 251, 252, 253, 255, 256, 257,
&end
#
# 51 TYR HE 86 LEU HB- 6.00 (# 2940:20 Unique 3.67, 4.79 A)
&rst
ixpk= 2940, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 802, 807,
igr2=1325,1326,
&end
#
# 107 PRO HB+ 107 PRO HD+ 3.00 (# 320:20 Unique 2.87, 4.12 A)
&rst
ixpk= 320, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1645,1646,
igr2=1639,1640,
&end
#
# 64 LEU HB+ 64 LEU MDY 3.00 (# 2263:20 Unique 2.40, 5.42 A)
&rst
ixpk= 2263, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1008,1009,
igr2=1013,1014,1015,1017,1018,1019,
&end
#
# 63 ILE QG2 107 PRO HB- 6.00 (# 1449:20 Preassigned 2.32, 2.66 A)
&rst
ixpk= 1449, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 991, 992, 993,
igr2=1645,1646,
&end
#
# 100 ILE HN 99 THR HB 4.00 (# 3035:20 Unique 4.20, 4.20 A)
&rst
ixpk= 3035, nxpk= 20, iat=1524,1514, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 79 CYS HB+ 76 LEU MDY 3.00 (# 2874:20 Unique 3.97, 5.95 A)
&rst
ixpk= 2874, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1219,1220,
igr2=1176,1177,1178,1180,1181,1182,
&end
#
# 76 LEU MDY 79 CYS HB- 3.00 (# 1317:20 Unique 3.97, 5.95 A)
&rst
ixpk= 1317, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1176,1177,1178,1180,1181,1182,
igr2=1219,1220,
&end
#
# 76 LEU MDY 79 CYS HB+ 3.00 (# 1309:20 Unique 3.97, 5.95 A)
&rst
ixpk= 1309, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1176,1177,1178,1180,1181,1182,
igr2=1219,1220,
&end
#
# 70 GLN HE2+ 114 CYS HB+ 4.00 (# 3109:20 Unique 3.34, 4.31 A)
&rst
ixpk= 3109, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1096,1097,
igr2=1761,1762,
&end
#
# 70 GLN HE2+ 114 CYS HB- 4.00 (# 3110:20 Unique 3.34, 4.31 A)
&rst
ixpk= 3110, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1096,1097,
igr2=1761,1762,
&end
#
# 70 GLN HE2- 115 SER HA 4.00 (# 2861:20 Unique 7.93, 8.72 A)
&rst
ixpk= 2861, nxpk= 20, iat= -1,1770, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1096,1097,
&end
#
# 41 LEU HA 42 ASN HA 5.00 (# 1663:20 Unique 2.32, 2.92 A)
&rst
ixpk= 1663, nxpk= 20, iat= 631, 650, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 32 TRP HH2 33 PHE HB- 6.00 (# 2654:20 Unique 3.31, 4.09 A)
&rst
ixpk= 2654, nxpk= 20, iat= 481, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 494, 495,
&end
#
# 32 TRP HH2 33 PHE HB+ 6.00 (# 2658:20 Unique 3.31, 4.09 A)
&rst
ixpk= 2658, nxpk= 20, iat= 481, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 494, 495,
&end
#
# 33 PHE HD 81 ALA MB 5.00 (# 1328:20 Preassigned 5.00, 5.50 A)
&rst
ixpk= 1328, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 498, 506,
igr2=1240,1241,1242,
&end
#
# 32 TRP HD1 31 ARG HA 6.00 (# 281:20 Preassigned 6.00, 6.20 A)
&rst
ixpk= 281, nxpk= 20, iat= 474, 444, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 17 ASN HN 19 LEU MDX 6.00 (# 2540:20 Unique 5.40, 7.22 A)
&rst
ixpk= 2540, nxpk= 20, iat= 231, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 23 TYR HE 34 LEU MDX 6.00 (# 2265:20 Preassigned 11.18,12.11 A)
&rst
ixpk= 2265, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 343, 348,
igr2= 519, 520, 521, 523, 524, 525,
&end
#
# 82 LEU HA 85 LEU HG 4.00 (# 2033:20 Preassigned 3.70, 3.70 A)
&rst
ixpk= 2033, nxpk= 20, iat=1248,1309, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 31 ARG HG+ 31 ARG HA 4.00 (# 288:20 Preassigned 2.66, 2.80 A)
&rst
ixpk= 288, nxpk= 20, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 449, 450,
&end
#
# 34 LEU HB- 31 ARG HA 5.00 (# 3328:20 Preassigned 3.77, 3.80 A)
&rst
ixpk= 3328, nxpk= 20, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 514, 515,
&end
#
# 58 GLN HA 58 GLN HG+ 3.00 (# 913:20 Preassigned 3.20, 3.51 A)
&rst
ixpk= 913, nxpk= 20, iat= 912, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 917, 918,
&end
#
# 67 LEU HA 70 GLN HG+ 4.00 (# 3329:20 Preassigned 3.20, 3.51 A)
&rst
ixpk= 3329, nxpk= 20, iat=1046, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1091,1092,
&end
#
# 44 PHE HE 82 LEU HG 5.00 (# 1965:20 Preassigned 3.52, 4.33 A)
&rst
ixpk= 1965, nxpk= 20, iat= -1,1253, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 684, 688,
&end
#
# 32 TRP HZ2 93 ARG HG+ 6.00 (# 3330:20 Preassigned 3.52, 4.33 A)
&rst
ixpk= 3330, nxpk= 20, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1423,1424,
&end
#
# 44 PHE HE 56 LEU HA 6.00 (# 1825:20 Preassigned 3.52, 4.33 A)
&rst
ixpk= 1825, nxpk= 20, iat= -1, 879, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 684, 688,
&end
#
# 66 PRO HB- 110 VAL MGX 6.00 (# 3303:20 Preassigned 3.52, 4.33 A)
&rst
ixpk= 3303, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1037,1038,
igr2=1690,1691,1692,1694,1695,1696,
&end
#
# 110 VAL HA 109 ASP HB+ 6.00 (# 500:20 Preassigned 4.99, 5.71 A)
&rst
ixpk= 500, nxpk= 20, iat=1686, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1676,1677,
&end
#
# 44 PHE HE 56 LEU HG 6.00 (# 2780:20 Preassigned 7.07, 7.07 A)
&rst
ixpk= 2780, nxpk= 20, iat= -1, 884, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 684, 688,
&end
#
# 112 ARG HN 112 ARG HA 3.00 (# 1584:20 Preassigned 2.84, 2.84 A)
&rst
ixpk= 1584, nxpk= 20, iat=1716,1718, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 70 GLN HN 70 GLN HA 3.00 (# 3331:20 Preassigned 2.84, 2.84 A)
&rst
ixpk= 3331, nxpk= 20, iat=1084,1086, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 21 TRP HE3 22 LEU HA 6.00 (# 188:20 Preassigned 6.10, 6.10 A)
&rst
ixpk= 188, nxpk= 20, iat= 309, 316, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 21 TRP HE3 22 LEU HB+ 6.00 (# 2571:20 Preassigned 10.56,11.21 A)
&rst
ixpk= 2571, nxpk= 20, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 318, 319,
&end
#
# 21 TRP HE3 22 LEU HB- 6.00 (# 1856:20 Preassigned 10.56,11.21 A)
&rst
ixpk= 1856, nxpk= 20, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 318, 319,
&end
#
# 111 VAL HB 111 VAL HA 3.00 (# 3101:20 Preassigned 3.01, 3.01 A)
&rst
ixpk= 3101, nxpk= 20, iat=1704,1702, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 90 MET HA 93 ARG HG+ 6.00 (# 2702:20 Preassigned 3.65, 4.12 A)
&rst
ixpk= 2702, nxpk= 20, iat=1380, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1423,1424,
&end
#
# 46 LEU MDX 44 PHE HN 6.00 (# 439:10 Unique 5.60, 7.21 A)
&rst
ixpk= 439, nxpk= 10, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 717, 718, 719, 721, 722, 723,
&end
#
# 20 ALA MB 17 ASN HD2- 5.00 (# 1424:10 Unique 2.31, 3.83 A)
&rst
ixpk= 1424, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 284, 285, 286,
igr2= 240, 241,
&end
#
# 41 LEU HG 45 ASN HD2- 4.00 (# 1349:10 Preassigned 4.22, 4.83 A)
&rst
ixpk= 1349, nxpk= 10, iat= 636, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 703, 704,
&end
#
# 48 ALA MB 52 ASN HN 6.00 (# 1759:10 Preassigned 5.46, 6.26 A)
&rst
ixpk= 1759, nxpk= 10, iat= -1, 813, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 747, 748, 749,
&end
#
# 111 VAL MGX 112 ARG HN 6.00 (# 1658:10 Unique 2.73, 2.73 A)
&rst
ixpk= 1658, nxpk= 10, iat= -1,1716, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1706,1707,1708,1710,1711,1712,
&end
#
# 67 LEU MDY 112 ARG HN 6.00 (# 1743:10 Unique 2.73, 2.73 A)
&rst
ixpk= 1743, nxpk= 10, iat= -1,1716, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1053,1054,1055,1057,1058,1059,
&end
#
# 64 LEU MDY 23 TYR HN 5.00 (# 831:10 Unique 2.66, 3.05 A)
&rst
ixpk= 831, nxpk= 10, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1013,1014,1015,1017,1018,1019,
&end
#
# 22 LEU HB- 21 TRP HN 6.00 (# 364:10 Unique 2.49, 3.31 A)
&rst
ixpk= 364, nxpk= 10, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 318, 319,
&end
#
# 21 TRP HD1 21 TRP HE1 3.00 (# 19:10 Unique 2.85, 2.85 A)
&rst
ixpk= 19, nxpk= 10, iat= 298, 300, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 21 TRP HH2 98 SER HN 6.00 (# 1639:10 Preassigned 5.77, 5.77 A)
&rst
ixpk= 1639, nxpk= 10, iat= 305,1499, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 33 PHE HZ 25 ALA HN 6.00 (# 155:10 Unique 2.83, 2.83 A)
&rst
ixpk= 155, nxpk= 10, iat= 502, 364, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 32 TRP HE3 34 LEU HN 6.00 (# 297:10 Unique 3.73, 3.88 A)
&rst
ixpk= 297, nxpk= 10, iat= 485, 510, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 46 LEU MDX 45 ASN HN 6.00 (# 718:10 Unique 4.75, 5.51 A)
&rst
ixpk= 718, nxpk= 10, iat= -1, 694, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 717, 718, 719, 721, 722, 723,
&end
#
# 82 LEU MDY 21 TRP HN 6.00 (# 358:10 Unique 2.49, 3.31 A)
&rst
ixpk= 358, nxpk= 10, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1255,1256,1257,1259,1260,1261,
&end
#
# 26 VAL MGY 25 ALA HN 5.00 (# 1524:10 Unique 2.93, 4.46 A)
&rst
ixpk= 1524, nxpk= 10, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 380, 381, 382, 384, 385, 386,
&end
#
# 95 ILE HA 32 TRP HE1 6.00 (# 27:10 Unique 4.67, 4.67 A)
&rst
ixpk= 27, nxpk= 10, iat=1456, 476, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 63 ILE QG2 108 PHE HN 3.00 (# 1102:10 Preassigned 3.91, 4.34 A)
&rst
ixpk= 1102, nxpk= 10, iat= -1,1652, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 991, 992, 993,
&end
#
# 115 SER HA 70 GLN HE2- 4.00 (# 1348:10 Unique 3.44, 4.27 A)
&rst
ixpk= 1348, nxpk= 10, iat=1770, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1096,1097,
&end
#
# 117 VAL HA 118 THR HN 6.00 (# 771:10 Preassigned 2.25, 2.25 A)
&rst
ixpk= 771, nxpk= 10, iat=1788,1802, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 118 THR HB 118 THR HN 4.00 (# 1762:10 Preassigned 2.25, 2.25 A)
&rst
ixpk= 1762, nxpk= 10, iat=1806,1802, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 44 PHE HE 83 LYS HN 4.00 (# 648:10 Preassigned 2.92, 4.95 A)
&rst
ixpk= 648, nxpk= 10, iat= -1,1265, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 684, 688,
&end
#
# 84 GLU HN 83 LYS HN 4.00 (# 1763:10 Preassigned 2.92, 4.95 A)
&rst
ixpk= 1763, nxpk= 10, iat=1287,1265, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 67 LEU HG 68 SER HN 6.00 (# 889:10 Preassigned 4.27, 4.27 A)
&rst
ixpk= 889, nxpk= 10, iat=1051,1063, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 69 ALA MB 68 SER HN 6.00 (# 1764:10 Preassigned 4.27, 4.27 A)
&rst
ixpk= 1764, nxpk= 10, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1078,1079,1080,
&end
#
# 66 PRO HA 70 GLN HN 5.00 (# 967:10 Preassigned 4.03, 4.03 A)
&rst
ixpk= 967, nxpk= 10, iat=1040,1084, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 71 THR HA 70 GLN HN 6.00 (# 1765:10 Preassigned 4.03, 4.03 A)
&rst
ixpk= 1765, nxpk= 10, iat=1103,1084, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 32 TRP HZ2 96 LEU HN 6.00 (# 1637:10 Preassigned 4.55, 4.55 A)
&rst
ixpk= 1637, nxpk= 10, iat= 479,1473, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 32 TRP HE1 32 TRP HN 6.00 (# 1706:10 Preassigned 7.52, 7.52 A)
&rst
ixpk= 1706, nxpk= 10, iat= 476, 466, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 32 TRP HZ2 95 ILE HN 6.00 (# 1727:10 Preassigned 4.90, 4.90 A)
&rst
ixpk= 1727, nxpk= 10, iat= 479,1454, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 38 THR HA 37 PHE HN 6.00 (# 467:10 Preassigned 5.94, 5.94 A)
&rst
ixpk= 467, nxpk= 10, iat= 589, 567, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
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