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 |
|
|
550983 |
2lkt   |
18012 | cing | 1-original | 5 | AMBER | distance | NOE | ambi |
# 0 AMB 20-2:1 92 ILE QD1 5.50 (# 1:20 Single Ambig)
&rst
ixpk= 1, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
igr1=1918, 157, 158,
igr2=1407,1408,1409,
&end
#
# 88 PRO HG- 92 ILE QD1 4.50 (# 2:20 Unique 2.92, 4.88 A)
&rst
ixpk= 2, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1337,1338,
igr2=1407,1408,1409,
&end
#
# 0 AMB 20-2:3 92 ILE QD1 4.50 (# 3:20 Single Ambig)
&rst
ixpk= 3, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1394,1909,
igr2=1407,1408,1409,
&end
#
# 87 ARG HA 92 ILE QD1 7.00 (# 4:20 Unique 2.49, 3.73 A)
&rst
ixpk= 4, nxpk= 20, iat=1311, -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr2=1407,1408,1409,
&end
#
# 0 AMB 20-2:5 92 ILE QD1 4.50 (# 5:20 Single Ambig)
&rst
ixpk= 5, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1866,1334,1335,
igr2=1407,1408,1409,
&end
#
# 89 VAL HA 92 ILE QD1 4.50 (# 6:20 Unique 3.72, 5.21 A)
&rst
ixpk= 6, nxpk= 20, iat=1349, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1407,1408,1409,
&end
#
# 0 AMB 20-2:7 92 ILE QD1 4.50 (# 7:20 Single Ambig)
&rst
ixpk= 7, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1334,1335,1396,
igr2=1407,1408,1409,
&end
#
# 92 ILE HB 92 ILE QD1 3.50 (# 8:20 Unique 2.53, 3.71 A)
&rst
ixpk= 8, nxpk= 20, iat=1398, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1407,1408,1409,
&end
#
# 0 AMB 20-2:9 92 ILE QD1 3.50 (# 9:20 Single Ambig)
&rst
ixpk= 9, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1404,1405,1920,1921,
igr2=1407,1408,1409,
&end
#
# 0 AMB 20-2:10 92 ILE QD1 3.50 (# 10:20 Single Ambig)
&rst
ixpk= 10, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1920,1921,1871,1872,
igr2=1407,1408,1409,
&end
#
# 0 AMB 20-2:11 92 ILE QD1 2.80 (# 11:20 Single Ambig)
&rst
ixpk= 11, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1404,1405,1923,1924,
igr2=1407,1408,1409,
&end
#
# 92 ILE QG2 92 ILE QD1 2.80 (# 12:20 Unique 2.25, 3.91 A)
&rst
ixpk= 12, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1=1400,1401,1402,
igr2=1407,1408,1409,
&end
#
# 121 ARG HG- 92 ILE QD1 5.50 (# 13:20 Unique 2.90, 6.19 A)
&rst
ixpk= 13, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1871,1872,
igr2=1407,1408,1409,
&end
#
# 0 AMB 20-2:27 92 ILE QD1 5.50 (# 27:20 Single Ambig)
&rst
ixpk= 27, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1309,1413,
igr2=1407,1408,1409,
&end
#
# 0 AMB 20-2:30 34 ILE QD1 5.50 (# 30:20 Single Ambig)
&rst
ixpk= 30, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 525, 544, 895,
igr2= 538, 539, 540,
&end
#
# 62 ARG HA 34 ILE QD1 5.50 (# 31:20 Unique 4.12, 4.73 A)
&rst
ixpk= 31, nxpk= 20, iat= 919, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 538, 539, 540,
&end
#
# 34 ILE HA 34 ILE QD1 5.50 (# 32:20 Unique 4.41, 4.55 A)
&rst
ixpk= 32, nxpk= 20, iat= 527, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 538, 539, 540,
&end
#
# 0 AMB 20-2:33 34 ILE QD1 3.50 (# 33:20 Single Ambig)
&rst
ixpk= 33, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1471,1472, 535, 536,
igr2= 538, 539, 540,
&end
#
# 97 LYS HN 34 ILE QD1 5.50 (# 35:20 Unique 3.49, 3.90 A)
&rst
ixpk= 35, nxpk= 20, iat=1464, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 538, 539, 540,
&end
#
# 0 AMB 20-2:36 34 ILE QD1 7.00 (# 36:20 Single Ambig)
&rst
ixpk= 36, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.10, r4=10.85,
igr1=1518,1788,1792,
igr2= 538, 539, 540,
&end
#
# 97 LYS HA 34 ILE QD1 4.50 (# 38:20 Unique 2.35, 3.12 A)
&rst
ixpk= 38, nxpk= 20, iat=1466, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 538, 539, 540,
&end
#
# 0 AMB 20-2:39 34 ILE QD1 5.50 (# 39:20 Single Ambig)
&rst
ixpk= 39, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 927, 928, 927, 928,
igr2= 538, 539, 540,
&end
#
# 0 AMB 20-2:40 34 ILE QD1 4.50 (# 40:20 Single Ambig)
&rst
ixpk= 40, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1522, 447,
igr2= 538, 539, 540,
&end
#
# 97 LYS HB- 34 ILE QD1 4.50 (# 41:20 Unique 4.26, 5.00 A)
&rst
ixpk= 41, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1468,1469,
igr2= 538, 539, 540,
&end
#
# 0 AMB 20-2:42 34 ILE QD1 2.80 (# 42:20 Single Ambig)
&rst
ixpk= 42, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
igr1=1458,1459,1460, 921, 922,
igr2= 538, 539, 540,
&end
#
# 0 AMB 20-2:43 34 ILE QD1 2.80 (# 43:20 Single Ambig)
&rst
ixpk= 43, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1524,1525,1526,1528,1529,1530, 535, 536,
igr2= 538, 539, 540,
&end
#
# 0 AMB 20-2:44 28 ILE QD1 5.50 (# 44:20 Single Ambig)
&rst
ixpk= 44, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 443,1464,
igr2= 456, 457, 458,
&end
#
# 0 AMB 20-2:45 28 ILE QD1 4.50 (# 45:20 Single Ambig)
&rst
ixpk= 45, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 445, 464, 465,
igr2= 456, 457, 458,
&end
#
# 0 AMB 20-2:46 28 ILE QD1 3.50 (# 46:20 Single Ambig)
&rst
ixpk= 46, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 927, 928, 927, 928, 492, 493,
igr2= 456, 457, 458,
&end
#
# 32 TYR HB+ 28 ILE QD1 4.50 (# 47:20 Unique 2.44, 3.82 A)
&rst
ixpk= 47, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 492, 493,
igr2= 456, 457, 458,
&end
#
# 28 ILE HB 28 ILE QD1 3.50 (# 48:20 Unique 2.37, 2.92 A)
&rst
ixpk= 48, nxpk= 20, iat= 447, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 456, 457, 458,
&end
#
# 0 AMB 20-2:49 28 ILE QD1 3.50 (# 49:20 Single Ambig)
&rst
ixpk= 49, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 535, 536,1471,1472,
igr2= 456, 457, 458,
&end
#
# 0 AMB 20-2:50 28 ILE QD1 2.80 (# 50:20 Single Ambig)
&rst
ixpk= 50, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 924, 925, 453, 454,
igr2= 456, 457, 458,
&end
#
# 34 ILE HG1- 28 ILE QD1 3.50 (# 52:20 Unique 2.35, 3.93 A)
&rst
ixpk= 52, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 535, 536,
igr2= 456, 457, 458,
&end
#
# 11 GLY HN 93 ILE QD1 4.50 (# 62:20 Unique 2.19, 3.40 A)
&rst
ixpk= 62, nxpk= 20, iat= 155, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1426,1427,1428,
&end
#
# 0 AMB 20-2:63 0 AMB 20-1:63 4.50 (# 63:20 Double Ambig)
&rst
ixpk= 63, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1413,1640,
igr2=1426,1427,1428,1664,1665,1666,
&end
#
# 94 SER HN 93 ILE QD1 7.00 (# 64:20 Unique 5.09, 5.82 A)
&rst
ixpk= 64, nxpk= 20, iat=1432, -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr2=1426,1427,1428,
&end
#
# 29 GLY HA- 93 ILE QD1 4.50 (# 65:20 Unique 4.80, 6.51 A)
&rst
ixpk= 65, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 464, 465,
igr2=1426,1427,1428,
&end
#
# 11 GLY HA+ 93 ILE QD1 7.00 (# 66:20 Unique 2.41, 3.96 A)
&rst
ixpk= 66, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 157, 158,
igr2=1426,1427,1428,
&end
#
# 10 PRO HA 93 ILE QD1 4.50 (# 67:20 Unique 2.78, 4.13 A)
&rst
ixpk= 67, nxpk= 20, iat= 151, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1426,1427,1428,
&end
#
# 93 ILE HA 93 ILE QD1 4.50 (# 68:20 Unique 2.17, 3.87 A)
&rst
ixpk= 68, nxpk= 20, iat=1415, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1426,1427,1428,
&end
#
# 11 GLY HA- 93 ILE QD1 7.00 (# 69:20 Unique 2.41, 3.96 A)
&rst
ixpk= 69, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 157, 158,
igr2=1426,1427,1428,
&end
#
# 90 GLU HG+ 93 ILE QD1 5.50 (# 70:20 Unique 3.81, 7.21 A)
&rst
ixpk= 70, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1370,1371,
igr2=1426,1427,1428,
&end
#
# 28 ILE HB 93 ILE QD1 4.50 (# 71:20 Unique 3.00, 4.46 A)
&rst
ixpk= 71, nxpk= 20, iat= 447, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1426,1427,1428,
&end
#
# 0 AMB 20-2:72 0 AMB 20-1:72 3.50 (# 72:20 Double Ambig)
&rst
ixpk= 72, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1701,1702,1417,
igr2=1664,1665,1666,1426,1427,1428,
&end
#
# 93 ILE HG1+ 93 ILE QD1 3.50 (# 74:20 Unique 2.37, 2.65 A)
&rst
ixpk= 74, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1423,1424,
igr2=1426,1427,1428,
&end
#
# 0 AMB 20-2:76 93 ILE QD1 3.50 (# 76:20 Single Ambig)
&rst
ixpk= 76, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1423,1424, 412, 413, 414, 416, 417, 418,
igr2=1426,1427,1428,
&end
#
# 108 ILE HG1- 108 ILE QD1 3.50 (# 77:20 Unique 2.36, 2.66 A)
&rst
ixpk= 77, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1661,1662,
igr2=1664,1665,1666,
&end
#
# 0 AMB 20-2:79 0 AMB 20-1:79 4.50 (# 79:20 Double Ambig)
&rst
ixpk= 79, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1365,1644,1645,
igr2=1426,1427,1428,1664,1665,1666,
&end
#
# 14 ILE HN 14 ILE QD1 7.00 (# 85:20 Unique 2.33, 4.61 A)
&rst
ixpk= 85, nxpk= 20, iat= 193, -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr2= 206, 207, 208,
&end
#
# 27 TYR HB- 14 ILE QD1 4.50 (# 86:20 Unique 2.14, 4.08 A)
&rst
ixpk= 86, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 426, 427,
igr2= 206, 207, 208,
&end
#
# 0 AMB 20-2:87 14 ILE QD1 5.50 (# 87:20 Single Ambig)
&rst
ixpk= 87, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 212,1169,
igr2= 206, 207, 208,
&end
#
# 27 TYR HD 14 ILE QD1 4.50 (# 88:20 Unique 2.78, 5.48 A)
&rst
ixpk= 88, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 430, 439,
igr2= 206, 207, 208,
&end
#
# 0 AMB 20-2:89 14 ILE QD1 7.00 (# 89:20 Single Ambig)
&rst
ixpk= 89, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 462,1107,
igr2= 206, 207, 208,
&end
#
# 14 ILE HA 14 ILE QD1 4.50 (# 90:20 Unique 4.11, 4.89 A)
&rst
ixpk= 90, nxpk= 20, iat= 195, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 206, 207, 208,
&end
#
# 27 TYR HB+ 14 ILE QD1 5.50 (# 91:20 Unique 2.14, 4.08 A)
&rst
ixpk= 91, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 426, 427,
igr2= 206, 207, 208,
&end
#
# 12 ASP HB- 14 ILE QD1 7.00 (# 92:20 Unique 3.91, 6.37 A)
&rst
ixpk= 92, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 166, 167,
igr2= 206, 207, 208,
&end
#
# 0 AMB 20-2:93 14 ILE QD1 4.50 (# 93:20 Single Ambig)
&rst
ixpk= 93, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 197, 112, 113,
igr2= 206, 207, 208,
&end
#
# 0 AMB 20-2:94 14 ILE QD1 3.50 (# 94:20 Single Ambig)
&rst
ixpk= 94, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 109, 110, 203, 204,
igr2= 206, 207, 208,
&end
#
# 14 ILE HG1+ 14 ILE QD1 3.50 (# 95:20 Unique 2.34, 2.65 A)
&rst
ixpk= 95, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 203, 204,
igr2= 206, 207, 208,
&end
#
# 0 AMB 20-2:96 14 ILE QD1 5.50 (# 96:20 Single Ambig)
&rst
ixpk= 96, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 233, 234, 235,1426,1427,1428,
igr2= 206, 207, 208,
&end
#
# 0 AMB 20-2:97 14 ILE QD1 3.50 (# 97:20 Single Ambig)
&rst
ixpk= 97, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 515, 516, 517, 519, 520, 521, 112, 113,
igr2= 206, 207, 208,
&end
#
# 118 THR HN 118 THR HB 5.50 (# 131:20 Unique 2.39, 3.09 A)
&rst
ixpk= 131, nxpk= 20, iat=1814,1818, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 119 GLN HN 118 THR HB 5.50 (# 132:20 Unique 2.67, 3.28 A)
&rst
ixpk= 132, nxpk= 20, iat=1828,1818, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 122 TYR HA 118 THR HB 5.50 (# 133:20 Unique 6.01, 6.87 A)
&rst
ixpk= 133, nxpk= 20, iat=1890,1818, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 118 THR HA 118 THR HB 3.50 (# 135:20 Unique 2.52, 2.79 A)
&rst
ixpk= 135, nxpk= 20, iat=1816,1818, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 118 THR MG2 118 THR HB 3.50 (# 136:20 Unique 2.33, 2.66 A)
&rst
ixpk= 136, nxpk= 20, iat= -1,1818, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1820,1821,1822,
&end
#
# 0 AMB 20-2:137 118 THR HB 5.50 (# 137:20 Single Ambig)
&rst
ixpk= 137, nxpk= 20, iat= -1,1818, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1203,1204,1205,1207,1208,1209,1203,1204,1205,1207,
1208,1209,
&end
#
# 90 GLU HN 89 VAL HA 5.50 (# 138:20 Unique 3.60, 3.62 A)
&rst
ixpk= 138, nxpk= 20, iat=1363,1349, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:140 89 VAL HA 5.50 (# 140:20 Single Ambig)
&rst
ixpk= 140, nxpk= 20, iat= -1,1349, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1413, 162,
&end
#
# 0 AMB 20-2:142 89 VAL HA 4.50 (# 142:20 Single Ambig)
&rst
ixpk= 142, nxpk= 20, iat= -1,1349, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1400,1401,1402, 412, 413, 414, 416, 417, 418,
&end
#
# 89 VAL HN 89 VAL HA 4.50 (# 143:20 Unique 2.60, 2.70 A)
&rst
ixpk= 143, nxpk= 20, iat=1347,1349, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 92 ILE HN 89 VAL HA 5.50 (# 144:20 Unique 3.41, 3.59 A)
&rst
ixpk= 144, nxpk= 20, iat=1394,1349, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 88 PRO HA 89 VAL HA 5.50 (# 145:20 Unique 4.25, 4.42 A)
&rst
ixpk= 145, nxpk= 20, iat=1343,1349, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 89 VAL HB 89 VAL HA 3.50 (# 146:20 Unique 2.33, 2.84 A)
&rst
ixpk= 146, nxpk= 20, iat=1351,1349, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 92 ILE HG1+ 89 VAL HA 5.50 (# 147:20 Unique 2.37, 4.01 A)
&rst
ixpk= 147, nxpk= 20, iat= -1,1349, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1404,1405,
&end
#
# 89 VAL MGX 89 VAL HA 3.50 (# 148:20 Unique 2.43, 3.31 A)
&rst
ixpk= 148, nxpk= 20, iat= -1,1349, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1353,1354,1355,1357,1358,1359,
&end
#
# 89 VAL MGY 89 VAL HA 2.80 (# 149:20 Unique 2.43, 3.31 A)
&rst
ixpk= 149, nxpk= 20, iat= -1,1349, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1353,1354,1355,1357,1358,1359,
&end
#
# 118 THR HB 118 THR HA 3.50 (# 152:20 Unique 2.52, 2.79 A)
&rst
ixpk= 152, nxpk= 20, iat=1818,1816, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 121 ARG HN 118 THR HA 5.50 (# 153:20 Unique 2.91, 3.26 A)
&rst
ixpk= 153, nxpk= 20, iat=1864,1816, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 118 THR HN 118 THR HA 4.50 (# 154:20 Unique 2.85, 2.88 A)
&rst
ixpk= 154, nxpk= 20, iat=1814,1816, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 121 ARG HE 118 THR HA 5.50 (# 155:20 Unique 2.07, 3.42 A)
&rst
ixpk= 155, nxpk= 20, iat=1877,1816, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 122 TYR HA 118 THR HA 4.50 (# 156:20 Unique 5.56, 6.10 A)
&rst
ixpk= 156, nxpk= 20, iat=1890,1816, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:157 118 THR HA 2.80 (# 157:20 Single Ambig)
&rst
ixpk= 157, nxpk= 20, iat= -1,1816, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
igr1=1868,1869,1820,1821,1822,
&end
#
# 0 AMB 20-2:158 118 THR HA 5.50 (# 158:20 Single Ambig)
&rst
ixpk= 158, nxpk= 20, iat= -1,1816, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 183, 184, 185, 187, 188, 189,1407,1408,1409,
&end
#
# 93 ILE HN 92 ILE HA 5.50 (# 159:20 Unique 3.57, 3.61 A)
&rst
ixpk= 159, nxpk= 20, iat=1413,1396, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:160 92 ILE HA 4.50 (# 160:20 Single Ambig)
&rst
ixpk= 160, nxpk= 20, iat= -1,1396, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1394,1909,
&end
#
# 0 AMB 20-2:161 92 ILE HA 4.50 (# 161:20 Single Ambig)
&rst
ixpk= 161, nxpk= 20, iat= -1,1396, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1866,1334,1335,
&end
#
# 92 ILE HG1+ 92 ILE HA 5.50 (# 162:20 Unique 2.29, 3.27 A)
&rst
ixpk= 162, nxpk= 20, iat= -1,1396, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1404,1405,
&end
#
# 92 ILE QD1 92 ILE HA 4.50 (# 163:20 Unique 2.50, 3.66 A)
&rst
ixpk= 163, nxpk= 20, iat= -1,1396, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1407,1408,1409,
&end
#
# 92 ILE QG2 92 ILE HA 3.50 (# 164:20 Unique 2.31, 3.10 A)
&rst
ixpk= 164, nxpk= 20, iat= -1,1396, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1400,1401,1402,
&end
#
# 0 AMB 20-2:165 92 ILE HA 7.00 (# 165:20 Single Ambig)
&rst
ixpk= 165, nxpk= 20, iat= -1,1396, r1= 0.00, r2= 1.80, r3= 9.68, r4=10.43,
igr1=1854,1855,1856,1858,1859,1860, 410,
&end
#
# 92 ILE HB 92 ILE HA 5.50 (# 167:20 Unique 3.01, 3.03 A)
&rst
ixpk= 167, nxpk= 20, iat=1398,1396, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 101 GLY HN 100 VAL HA 3.50 (# 170:20 Unique 2.07, 2.10 A)
&rst
ixpk= 170, nxpk= 20, iat=1534,1520, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 102 GLN HN 100 VAL HA 4.50 (# 171:20 Unique 3.34, 3.45 A)
&rst
ixpk= 171, nxpk= 20, iat=1541,1520, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 100 VAL HN 100 VAL HA 4.50 (# 172:20 Unique 2.78, 2.81 A)
&rst
ixpk= 172, nxpk= 20, iat=1518,1520, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:173 100 VAL HA 5.50 (# 173:20 Single Ambig)
&rst
ixpk= 173, nxpk= 20, iat= -1,1520, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1536,1537,1503,
&end
#
# 0 AMB 20-2:174 100 VAL HA 4.50 (# 174:20 Single Ambig)
&rst
ixpk= 174, nxpk= 20, iat= -1,1520, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1536,1537,1466,
&end
#
# 60 VAL HB 100 VAL HA 4.50 (# 175:20 Unique 2.21, 2.32 A)
&rst
ixpk= 175, nxpk= 20, iat= 883,1520, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 100 VAL HB 100 VAL HA 4.50 (# 176:20 Unique 3.02, 3.03 A)
&rst
ixpk= 176, nxpk= 20, iat=1522,1520, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 100 VAL MGX 100 VAL HA 3.50 (# 177:20 Unique 2.43, 3.13 A)
&rst
ixpk= 177, nxpk= 20, iat= -1,1520, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1524,1525,1526,1528,1529,1530,
&end
#
# 100 VAL MGY 100 VAL HA 3.50 (# 178:20 Unique 2.43, 3.13 A)
&rst
ixpk= 178, nxpk= 20, iat= -1,1520, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1524,1525,1526,1528,1529,1530,
&end
#
# 60 VAL MGX 100 VAL HA 3.50 (# 179:20 Unique 2.26, 3.96 A)
&rst
ixpk= 179, nxpk= 20, iat= -1,1520, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 885, 886, 887, 889, 890, 891,
&end
#
# 60 VAL MGY 100 VAL HA 5.50 (# 180:20 Unique 2.26, 3.96 A)
&rst
ixpk= 180, nxpk= 20, iat= -1,1520, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 885, 886, 887, 889, 890, 891,
&end
#
# 0 AMB 20-2:187 0 AMB 20-1:187 3.50 (# 187:20 Double Ambig)
&rst
ixpk= 187, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1042,1413,
igr2=1044,1415,
&end
#
# 70 GLY HN 69 VAL HA 5.50 (# 188:20 Unique 3.48, 3.53 A)
&rst
ixpk= 188, nxpk= 20, iat=1058,1044, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 69 VAL HB 69 VAL HA 3.50 (# 190:20 Unique 2.33, 2.89 A)
&rst
ixpk= 190, nxpk= 20, iat=1046,1044, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 69 VAL MGY 69 VAL HA 3.50 (# 191:20 Unique 2.29, 3.20 A)
&rst
ixpk= 191, nxpk= 20, iat= -1,1044, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1048,1049,1050,1052,1053,1054,
&end
#
# 0 AMB 20-2:192 69 VAL HA 2.80 (# 192:20 Single Ambig)
&rst
ixpk= 192, nxpk= 20, iat= -1,1044, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1048,1049,1050,1052,1053,1054,1032,1033,1034,1036,
1037,1038,1032,1033,1034,1036,1037,1038,
&end
#
# 95 SER HN 91 VAL HA 5.50 (# 201:20 Unique 3.90, 4.01 A)
&rst
ixpk= 201, nxpk= 20, iat=1443,1380, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 94 SER HN 91 VAL HA 4.50 (# 202:20 Unique 3.27, 3.50 A)
&rst
ixpk= 202, nxpk= 20, iat=1432,1380, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 91 VAL HN 91 VAL HA 4.50 (# 203:20 Unique 2.87, 2.89 A)
&rst
ixpk= 203, nxpk= 20, iat=1378,1380, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 91 VAL HB 91 VAL HA 4.50 (# 204:20 Unique 3.03, 3.04 A)
&rst
ixpk= 204, nxpk= 20, iat=1382,1380, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 90 GLU HB- 91 VAL HA 5.50 (# 205:20 Unique 4.11, 4.68 A)
&rst
ixpk= 205, nxpk= 20, iat= -1,1380, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1367,1368,
&end
#
# 91 VAL MGX 91 VAL HA 3.50 (# 206:20 Unique 2.45, 3.17 A)
&rst
ixpk= 206, nxpk= 20, iat= -1,1380, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1384,1385,1386,1388,1389,1390,
&end
#
# 91 VAL MGY 91 VAL HA 3.50 (# 207:20 Unique 2.45, 3.17 A)
&rst
ixpk= 207, nxpk= 20, iat= -1,1380, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1384,1385,1386,1388,1389,1390,
&end
#
# 0 AMB 20-2:208 0 AMB 20-1:208 4.50 (# 208:20 Double Ambig)
&rst
ixpk= 208, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 854,1580,
igr2= 847, 848, 847, 848,
&end
#
# 57 SER HN 57 SER HB+ 5.50 (# 209:20 Unique 2.52, 3.51 A)
&rst
ixpk= 209, nxpk= 20, iat= 843, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 847, 848,
&end
#
# 57 SER HA 57 SER HB+ 3.50 (# 210:20 Unique 2.24, 2.71 A)
&rst
ixpk= 210, nxpk= 20, iat= 845, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 847, 848,
&end
#
# 0 AMB 20-2:212 0 AMB 20-1:212 4.50 (# 212:20 Double Ambig)
&rst
ixpk= 212, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1607,1608,1601,1602,1562,1563,
igr2= 847, 848, 847, 848, 847, 848,
&end
#
# 125 SER HN 125 SER HB+ 4.50 (# 213:20 Unique 2.35, 3.08 A)
&rst
ixpk= 213, nxpk= 20, iat=1938, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1942,1943,
&end
#
# 0 AMB 20-2:215 0 AMB 20-1:215 4.50 (# 215:20 Double Ambig)
&rst
ixpk= 215, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 856, 820,
igr2= 847, 848, 847, 848,
&end
#
# 0 AMB 20-2:216 0 AMB 20-1:216 3.50 (# 216:20 Double Ambig)
&rst
ixpk= 216, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1599, 614,
igr2= 847, 848, 847, 848,
&end
#
# 125 SER HA 125 SER HB+ 2.80 (# 217:20 Unique 2.34, 2.74 A)
&rst
ixpk= 217, nxpk= 20, iat=1940, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1942,1943,
&end
#
# 121 ARG HB- 125 SER HB+ 5.50 (# 220:20 Unique 2.25, 5.00 A)
&rst
ixpk= 220, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1868,1869,
igr2=1942,1943,
&end
#
# 57 SER HA 57 SER HB- 3.50 (# 221:20 Unique 2.24, 2.71 A)
&rst
ixpk= 221, nxpk= 20, iat= 845, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 847, 848,
&end
#
# 69 VAL HN 68 VAL HA 4.50 (# 223:20 Unique 3.60, 3.64 A)
&rst
ixpk= 223, nxpk= 20, iat=1042,1028, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 68 VAL HN 68 VAL HA 3.50 (# 224:20 Unique 2.83, 2.86 A)
&rst
ixpk= 224, nxpk= 20, iat=1026,1028, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 68 VAL HB 68 VAL HA 4.50 (# 225:20 Unique 2.58, 3.01 A)
&rst
ixpk= 225, nxpk= 20, iat=1030,1028, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:226 68 VAL HA 2.80 (# 226:20 Single Ambig)
&rst
ixpk= 226, nxpk= 20, iat= -1,1028, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
1037,1038,
&end
#
# 94 SER HN 93 ILE HA 7.00 (# 227:20 Unique 3.56, 3.60 A)
&rst
ixpk= 227, nxpk= 20, iat=1432,1415, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 96 ALA HN 93 ILE HA 4.50 (# 228:20 Unique 3.20, 3.40 A)
&rst
ixpk= 228, nxpk= 20, iat=1454,1415, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 93 ILE HG1+ 93 ILE HA 4.50 (# 230:20 Unique 2.46, 3.05 A)
&rst
ixpk= 230, nxpk= 20, iat= -1,1415, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1423,1424,
&end
#
# 0 AMB 20-2:231 93 ILE HA 3.50 (# 231:20 Single Ambig)
&rst
ixpk= 231, nxpk= 20, iat= -1,1415, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 412, 413, 414, 416, 417, 418,1458,1459,1460,
&end
#
# 93 ILE QG2 93 ILE HA 3.50 (# 232:20 Unique 2.49, 3.29 A)
&rst
ixpk= 232, nxpk= 20, iat= -1,1415, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1419,1420,1421,
&end
#
# 0 AMB 20-2:233 93 ILE HA 2.80 (# 233:20 Single Ambig)
&rst
ixpk= 233, nxpk= 20, iat= -1,1415, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1426,1427,1428, 449, 450, 451,
&end
#
# 0 AMB 20-2:237 57 SER HB- 4.50 (# 237:20 Single Ambig)
&rst
ixpk= 237, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 854,1580,
igr2= 847, 848,
&end
#
# 0 AMB 20-2:238 57 SER HB- 4.50 (# 238:20 Single Ambig)
&rst
ixpk= 238, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1607,1608,1601,1602,1562,1563,
igr2= 847, 848,
&end
#
# 0 AMB 20-2:240 57 SER HB- 4.50 (# 240:20 Single Ambig)
&rst
ixpk= 240, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1599, 614,
igr2= 847, 848,
&end
#
# 103 LYS HD+ 57 SER HB- 4.50 (# 243:20 Unique 2.28, 4.59 A)
&rst
ixpk= 243, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1568,1569,
igr2= 847, 848,
&end
#
# 0 AMB 20-2:245 10 PRO HA 7.00 (# 245:20 Single Ambig)
&rst
ixpk= 245, nxpk= 20, iat= -1, 151, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
igr1= 129, 130,1316,1317, 984, 985,1313,1314,
&end
#
# 11 GLY HN 10 PRO HA 3.50 (# 246:20 Unique 2.09, 2.17 A)
&rst
ixpk= 246, nxpk= 20, iat= 155, 151, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 12 ASP HN 10 PRO HA 5.50 (# 247:20 Unique 3.44, 3.78 A)
&rst
ixpk= 247, nxpk= 20, iat= 162, 151, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 27 TYR HD 10 PRO HA 4.50 (# 249:20 Unique 1.99, 4.01 A)
&rst
ixpk= 249, nxpk= 20, iat= -1, 151, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 430, 439,
&end
#
# 10 PRO HG+ 10 PRO HA 4.50 (# 250:20 Unique 2.64, 3.26 A)
&rst
ixpk= 250, nxpk= 20, iat= -1, 151, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 145, 146,
&end
#
# 10 PRO HB- 10 PRO HA 3.50 (# 251:20 Unique 2.28, 2.69 A)
&rst
ixpk= 251, nxpk= 20, iat= -1, 151, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 148, 149,
&end
#
# 120 LEU HN 117 VAL HA 4.50 (# 252:20 Unique 2.82, 2.98 A)
&rst
ixpk= 252, nxpk= 20, iat=1845,1800, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 117 VAL HB 117 VAL HA 4.50 (# 253:20 Unique 2.39, 2.49 A)
&rst
ixpk= 253, nxpk= 20, iat=1802,1800, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 120 LEU HB- 117 VAL HA 4.50 (# 254:20 Unique 2.23, 3.21 A)
&rst
ixpk= 254, nxpk= 20, iat= -1,1800, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1849,1850,
&end
#
# 0 AMB 20-2:255 117 VAL HA 3.50 (# 255:20 Single Ambig)
&rst
ixpk= 255, nxpk= 20, iat= -1,1800, r1= 0.00, r2= 1.80, r3= 4.84, r4= 5.59,
igr1=1804,1805,1806,1808,1809,1810,1852,
&end
#
# 117 VAL MGX 117 VAL HA 3.50 (# 256:20 Unique 2.30, 3.44 A)
&rst
ixpk= 256, nxpk= 20, iat= -1,1800, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1804,1805,1806,1808,1809,1810,
&end
#
# 120 LEU MDX 117 VAL HA 7.00 (# 257:20 Unique 2.11, 4.10 A)
&rst
ixpk= 257, nxpk= 20, iat= -1,1800, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1=1854,1855,1856,1858,1859,1860,
&end
#
# 120 LEU MDY 117 VAL HA 4.50 (# 258:20 Unique 2.11, 4.10 A)
&rst
ixpk= 258, nxpk= 20, iat= -1,1800, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1854,1855,1856,1858,1859,1860,
&end
#
# 58 ALA HA 57 SER HB- 5.50 (# 259:20 Unique 4.63, 4.98 A)
&rst
ixpk= 259, nxpk= 20, iat= 856, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 847, 848,
&end
#
# 0 AMB 20-2:276 0 AMB 20-1:276 5.50 (# 276:20 Double Ambig)
&rst
ixpk= 276, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=12.00, r4=12.75,
igr1= 808, 809, 810, 812, 813, 814, 742, 743, 744, 746,
747, 748, 742, 743, 744, 746, 747, 748,
igr2= 822, 823, 822, 823, 822, 823,
&end
#
# 55 SER HA 55 SER HB+ 2.80 (# 279:20 Unique 2.26, 2.65 A)
&rst
ixpk= 279, nxpk= 20, iat= 820, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 822, 823,
&end
#
# 53 VAL MGY 55 SER HB+ 5.50 (# 281:20 Unique 4.57, 8.21 A)
&rst
ixpk= 281, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 789, 790, 791, 793, 794, 795,
igr2= 822, 823,
&end
#
# 110 SER HA 110 SER HB+ 2.80 (# 286:20 Unique 2.32, 2.69 A)
&rst
ixpk= 286, nxpk= 20, iat=1688, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1690,1691,
&end
#
# 108 ILE HB 110 SER HB+ 5.50 (# 289:20 Unique 3.80, 5.45 A)
&rst
ixpk= 289, nxpk= 20, iat=1655, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1690,1691,
&end
#
# 110 SER HA 110 SER HB- 3.50 (# 291:20 Unique 2.32, 2.69 A)
&rst
ixpk= 291, nxpk= 20, iat=1688, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1690,1691,
&end
#
# 0 AMB 20-2:298 43 PRO HA 3.50 (# 298:20 Single Ambig)
&rst
ixpk= 298, nxpk= 20, iat= -1, 675, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 669, 670, 633, 634,
&end
#
# 43 PRO HD- 43 PRO HA 5.50 (# 299:20 Unique 3.40, 3.73 A)
&rst
ixpk= 299, nxpk= 20, iat= -1, 675, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 666, 667,
&end
#
# 0 AMB 20-2:320 43 PRO HA 3.50 (# 320:20 Single Ambig)
&rst
ixpk= 320, nxpk= 20, iat= -1, 675, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 666, 667, 311, 312,
&end
#
# 43 PRO HB- 43 PRO HA 2.80 (# 321:20 Unique 2.31, 2.68 A)
&rst
ixpk= 321, nxpk= 20, iat= -1, 675, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 672, 673,
&end
#
# 0 AMB 20-2:322 43 PRO HA 3.50 (# 322:20 Single Ambig)
&rst
ixpk= 322, nxpk= 20, iat= -1, 675, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 672, 673, 294, 295,
&end
#
# 89 VAL HN 88 PRO HA 3.50 (# 330:20 Unique 2.10, 2.19 A)
&rst
ixpk= 330, nxpk= 20, iat=1347,1343, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 88 PRO HB- 88 PRO HA 3.50 (# 332:20 Unique 2.29, 2.54 A)
&rst
ixpk= 332, nxpk= 20, iat= -1,1343, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1340,1341,
&end
#
# 88 PRO HB+ 88 PRO HA 3.50 (# 333:20 Unique 2.29, 2.54 A)
&rst
ixpk= 333, nxpk= 20, iat= -1,1343, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1340,1341,
&end
#
# 0 AMB 20-2:334 88 PRO HA 4.50 (# 334:20 Single Ambig)
&rst
ixpk= 334, nxpk= 20, iat= -1,1343, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1353,1354,1355,1357,1358,1359,1923,1924,
&end
#
# 76 VAL MGY 76 VAL HA 4.50 (# 337:20 Unique 2.30, 3.43 A)
&rst
ixpk= 337, nxpk= 20, iat= -1,1141, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1145,1146,1147,1149,1150,1151,
&end
#
# 14 ILE QG2 76 VAL HA 5.50 (# 338:20 Unique 2.29, 3.85 A)
&rst
ixpk= 338, nxpk= 20, iat= -1,1141, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 199, 200, 201,
&end
#
# 77 ASN HN 76 VAL HA 5.50 (# 339:20 Unique 2.10, 2.25 A)
&rst
ixpk= 339, nxpk= 20, iat=1155,1141, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 89 VAL HA 88 PRO HA 7.00 (# 342:20 Unique 4.25, 4.42 A)
&rst
ixpk= 342, nxpk= 20, iat=1349,1343, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 0 AMB 20-2:343 88 PRO HA 3.50 (# 343:20 Single Ambig)
&rst
ixpk= 343, nxpk= 20, iat= -1,1343, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1337,1338,1299,1300,
&end
#
# 39 PRO HB+ 39 PRO HA 2.80 (# 346:20 Unique 2.17, 2.53 A)
&rst
ixpk= 346, nxpk= 20, iat= -1, 614, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 611, 612,
&end
#
# 39 PRO HB- 39 PRO HA 2.80 (# 347:20 Unique 2.17, 2.53 A)
&rst
ixpk= 347, nxpk= 20, iat= -1, 614, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 611, 612,
&end
#
# 0 AMB 20-2:348 60 VAL HA 4.50 (# 348:20 Single Ambig)
&rst
ixpk= 348, nxpk= 20, iat= -1, 881, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 580, 864,
&end
#
# 0 AMB 20-2:352 109 VAL HA 7.00 (# 352:20 Single Ambig)
&rst
ixpk= 352, nxpk= 20, iat= -1,1672, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1=1735, 324, 333,
&end
#
# 0 AMB 20-2:354 50 VAL HA 4.50 (# 354:20 Single Ambig)
&rst
ixpk= 354, nxpk= 20, iat= -1, 738, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 772, 679,
&end
#
# 50 VAL HB 50 VAL HA 3.50 (# 358:20 Unique 2.38, 2.52 A)
&rst
ixpk= 358, nxpk= 20, iat= 740, 738, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:359 50 VAL HA 3.50 (# 359:20 Single Ambig)
&rst
ixpk= 359, nxpk= 20, iat= -1, 738, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 742, 743, 744, 746, 747, 748, 742, 743, 744, 746,
747, 748,
&end
#
# 120 LEU MDX 95 SER HB+ 4.50 (# 361:20 Unique 2.83, 5.91 A)
&rst
ixpk= 361, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1854,1855,1856,1858,1859,1860,
igr2=1447,1448,
&end
#
# 0 AMB 20-2:362 95 SER HB- 7.00 (# 362:20 Single Ambig)
&rst
ixpk= 362, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
igr1=1458,1459,1460,1852,
igr2=1447,1448,
&end
#
# 0 AMB 20-2:363 95 SER HB- 4.50 (# 363:20 Single Ambig)
&rst
ixpk= 363, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1454,1443,
igr2=1447,1448,
&end
#
# 95 SER HA 95 SER HB- 2.80 (# 365:20 Unique 2.45, 2.76 A)
&rst
ixpk= 365, nxpk= 20, iat=1445, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1447,1448,
&end
#
# 120 LEU MDX 95 SER HB- 4.50 (# 366:20 Unique 2.83, 5.91 A)
&rst
ixpk= 366, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1854,1855,1856,1858,1859,1860,
igr2=1447,1448,
&end
#
# 87 ARG HN 86 PRO HA 3.50 (# 376:20 Unique 3.03, 3.28 A)
&rst
ixpk= 376, nxpk= 20, iat=1309,1305, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 86 PRO HB- 86 PRO HA 3.50 (# 379:20 Unique 2.26, 2.55 A)
&rst
ixpk= 379, nxpk= 20, iat= -1,1305, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1302,1303,
&end
#
# 0 AMB 20-2:380 0 AMB 20-1:380 4.50 (# 380:20 Double Ambig)
&rst
ixpk= 380, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 121, 897, 164,
igr2= 115, 881,
&end
#
# 0 AMB 20-2:381 0 AMB 20-1:381 2.80 (# 381:20 Double Ambig)
&rst
ixpk= 381, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.61, r4= 5.36,
igr1= 112, 113, 885, 886, 887, 889, 890, 891, 565, 566,
igr2= 115, 881,
&end
#
# 61 LYS HN 60 VAL HA 3.50 (# 382:20 Unique 2.20, 2.22 A)
&rst
ixpk= 382, nxpk= 20, iat= 895, 881, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 60 VAL HN 60 VAL HA 5.50 (# 383:20 Unique 2.90, 2.92 A)
&rst
ixpk= 383, nxpk= 20, iat= 879, 881, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 60 VAL HB 60 VAL HA 5.50 (# 384:20 Unique 3.00, 3.02 A)
&rst
ixpk= 384, nxpk= 20, iat= 883, 881, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 60 VAL MGY 60 VAL HA 3.50 (# 385:20 Unique 2.45, 3.16 A)
&rst
ixpk= 385, nxpk= 20, iat= -1, 881, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 885, 886, 887, 889, 890, 891,
&end
#
# 0 AMB 20-2:386 109 VAL HA 3.50 (# 386:20 Single Ambig)
&rst
ixpk= 386, nxpk= 20, iat= -1,1672, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1721,1686,
&end
#
# 109 VAL HB 109 VAL HA 3.50 (# 393:20 Unique 2.36, 2.76 A)
&rst
ixpk= 393, nxpk= 20, iat=1674,1672, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 109 VAL MGY 109 VAL HA 2.80 (# 394:20 Unique 2.46, 3.34 A)
&rst
ixpk= 394, nxpk= 20, iat= -1,1672, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1676,1677,1678,1680,1681,1682,
&end
#
# 51 PHE HA 50 VAL HA 4.50 (# 395:20 Unique 4.31, 4.55 A)
&rst
ixpk= 395, nxpk= 20, iat= 754, 738, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 94 SER HN 95 SER HB+ 4.50 (# 396:20 Unique 4.89, 5.63 A)
&rst
ixpk= 396, nxpk= 20, iat=1432, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1447,1448,
&end
#
# 95 SER HN 95 SER HB+ 3.50 (# 398:20 Unique 2.51, 3.06 A)
&rst
ixpk= 398, nxpk= 20, iat=1443, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1447,1448,
&end
#
# 9 LYS HN 8 PRO HA 3.50 (# 402:20 Unique 2.34, 2.41 A)
&rst
ixpk= 402, nxpk= 20, iat= 119, 115, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 8 PRO HB- 8 PRO HA 3.50 (# 403:20 Unique 2.29, 2.51 A)
&rst
ixpk= 403, nxpk= 20, iat= -1, 115, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 112, 113,
&end
#
# 9 LYS HG+ 8 PRO HA 5.50 (# 404:20 Unique 3.09, 5.10 A)
&rst
ixpk= 404, nxpk= 20, iat= -1, 115, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 126, 127,
&end
#
# 0 AMB 20-2:405 8 PRO HA 4.50 (# 405:20 Single Ambig)
&rst
ixpk= 405, nxpk= 20, iat= -1, 115, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 109, 110, 203, 204,
&end
#
# 0 AMB 20-2:406 0 AMB 20-1:406 4.50 (# 406:20 Double Ambig)
&rst
ixpk= 406, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.53, r4= 8.28,
igr1= 109, 110,1524,1525,1526,1528,1529,1530, 858, 859,
860,
igr2= 115, 881,
&end
#
# 76 VAL MGX 8 PRO HA 2.80 (# 407:20 Unique 2.09, 3.77 A)
&rst
ixpk= 407, nxpk= 20, iat= -1, 115, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1145,1146,1147,1149,1150,1151,
&end
#
# 94 SER HN 94 SER HA 3.50 (# 409:20 Unique 2.81, 2.83 A)
&rst
ixpk= 409, nxpk= 20, iat=1432,1434, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 97 LYS HB- 94 SER HA 3.50 (# 410:20 Unique 2.65, 3.65 A)
&rst
ixpk= 410, nxpk= 20, iat= -1,1434, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1468,1469,
&end
#
# 0 AMB 20-2:411 0 AMB 20-1:411 4.50 (# 411:20 Double Ambig)
&rst
ixpk= 411, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1474,1475,1249,1250,
igr2=1434,1185,
&end
#
# 95 SER HN 95 SER HA 3.50 (# 416:20 Unique 2.81, 2.82 A)
&rst
ixpk= 416, nxpk= 20, iat=1443,1445, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 95 SER HB+ 95 SER HA 3.50 (# 418:20 Unique 2.45, 2.76 A)
&rst
ixpk= 418, nxpk= 20, iat= -1,1445, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1447,1448,
&end
#
# 95 SER HB- 95 SER HA 3.50 (# 419:20 Unique 2.45, 2.76 A)
&rst
ixpk= 419, nxpk= 20, iat= -1,1445, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1447,1448,
&end
#
# 98 GLU HG- 95 SER HA 4.50 (# 420:20 Unique 3.22, 4.04 A)
&rst
ixpk= 420, nxpk= 20, iat= -1,1445, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1493,1494,
&end
#
# 98 GLU HB- 95 SER HA 3.50 (# 421:20 Unique 2.37, 3.33 A)
&rst
ixpk= 421, nxpk= 20, iat= -1,1445, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1490,1491,
&end
#
# 98 GLU HN 95 SER HA 5.50 (# 422:20 Unique 3.22, 3.45 A)
&rst
ixpk= 422, nxpk= 20, iat=1486,1445, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 120 LEU MDX 95 SER HA 7.00 (# 423:20 Unique 4.72, 7.57 A)
&rst
ixpk= 423, nxpk= 20, iat= -1,1445, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1=1854,1855,1856,1858,1859,1860,
&end
#
# 113 CYS HB- 113 CYS HA 3.50 (# 425:20 Unique 2.36, 2.69 A)
&rst
ixpk= 425, nxpk= 20, iat= -1,1737, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1739,1740,
&end
#
# 116 PHE HB+ 113 CYS HA 5.50 (# 426:20 Unique 2.28, 3.33 A)
&rst
ixpk= 426, nxpk= 20, iat= -1,1737, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1782,1783,
&end
#
# 36 LEU HB- 113 CYS HA 5.50 (# 427:20 Unique 2.90, 4.60 A)
&rst
ixpk= 427, nxpk= 20, iat= -1,1737, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 565, 566,
&end
#
# 36 LEU MDY 113 CYS HA 4.50 (# 429:20 Unique 2.58, 6.06 A)
&rst
ixpk= 429, nxpk= 20, iat= -1,1737, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 570, 571, 572, 574, 575, 576,
&end
#
# 36 LEU MDX 113 CYS HA 5.50 (# 430:20 Unique 2.58, 6.06 A)
&rst
ixpk= 430, nxpk= 20, iat= -1,1737, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 570, 571, 572, 574, 575, 576,
&end
#
# 116 PHE HN 116 PHE HA 4.50 (# 432:20 Unique 2.79, 2.82 A)
&rst
ixpk= 432, nxpk= 20, iat=1778,1780, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 116 PHE HD 116 PHE HA 3.50 (# 433:20 Unique 2.34, 3.64 A)
&rst
ixpk= 433, nxpk= 20, iat= -1,1780, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1786,1794,
&end
#
# 119 GLN HE2+ 116 PHE HA 3.50 (# 434:20 Unique 2.59, 5.32 A)
&rst
ixpk= 434, nxpk= 20, iat= -1,1780, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1840,1841,
&end
#
# 116 PHE HB- 116 PHE HA 3.50 (# 436:20 Unique 2.25, 2.67 A)
&rst
ixpk= 436, nxpk= 20, iat= -1,1780, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1782,1783,
&end
#
# 119 GLN HN 116 PHE HA 5.50 (# 438:20 Unique 3.31, 3.55 A)
&rst
ixpk= 438, nxpk= 20, iat=1828,1780, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 116 PHE HB+ 116 PHE HA 4.50 (# 439:20 Unique 2.25, 2.67 A)
&rst
ixpk= 439, nxpk= 20, iat= -1,1780, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1782,1783,
&end
#
# 28 ILE HB 28 ILE HA 5.50 (# 445:20 Unique 2.36, 2.39 A)
&rst
ixpk= 445, nxpk= 20, iat= 447, 445, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 93 ILE QG2 28 ILE HA 5.50 (# 446:20 Unique 3.18, 4.37 A)
&rst
ixpk= 446, nxpk= 20, iat= -1, 445, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1419,1420,1421,
&end
#
# 0 AMB 20-2:447 28 ILE HA 4.50 (# 447:20 Single Ambig)
&rst
ixpk= 447, nxpk= 20, iat= -1, 445, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1426,1427,1428, 449, 450, 451,
&end
#
# 73 CYS HB+ 16 ILE HA 5.50 (# 451:20 Unique 4.85, 5.56 A)
&rst
ixpk= 451, nxpk= 20, iat= -1, 229, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1087,1088,
&end
#
# 16 ILE HG1+ 16 ILE HA 7.00 (# 454:20 Unique 2.47, 3.11 A)
&rst
ixpk= 454, nxpk= 20, iat= -1, 229, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 237, 238,
&end
#
# 0 AMB 20-2:455 16 ILE HA 5.50 (# 455:20 Single Ambig)
&rst
ixpk= 455, nxpk= 20, iat= -1, 229, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1115,1083,
&end
#
# 17 PHE HN 16 ILE HA 3.50 (# 456:20 Unique 2.08, 2.14 A)
&rst
ixpk= 456, nxpk= 20, iat= 246, 229, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 74 TYR HA 16 ILE HA 4.50 (# 457:20 Unique 2.13, 2.23 A)
&rst
ixpk= 457, nxpk= 20, iat=1096, 229, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:458 16 ILE HA 4.50 (# 458:20 Single Ambig)
&rst
ixpk= 458, nxpk= 20, iat= -1, 229, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1098,1099,1098,1099,
&end
#
# 16 ILE QG2 16 ILE HA 4.50 (# 459:20 Unique 2.51, 3.07 A)
&rst
ixpk= 459, nxpk= 20, iat= -1, 229, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 233, 234, 235,
&end
#
# 0 AMB 20-2:460 16 ILE HA 4.50 (# 460:20 Single Ambig)
&rst
ixpk= 460, nxpk= 20, iat= -1, 229, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 240, 241, 242, 237, 238,
&end
#
# 97 LYS HN 97 LYS HA 4.50 (# 462:20 Unique 2.85, 2.87 A)
&rst
ixpk= 462, nxpk= 20, iat=1464,1466, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 98 GLU HN 97 LYS HA 5.50 (# 463:20 Unique 3.53, 3.58 A)
&rst
ixpk= 463, nxpk= 20, iat=1486,1466, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 100 VAL HB 97 LYS HA 5.50 (# 465:20 Unique 2.45, 2.92 A)
&rst
ixpk= 465, nxpk= 20, iat=1522,1466, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 97 LYS HG- 97 LYS HA 3.50 (# 466:20 Unique 2.33, 2.59 A)
&rst
ixpk= 466, nxpk= 20, iat= -1,1466, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1471,1472,
&end
#
# 34 ILE QD1 97 LYS HA 3.50 (# 467:20 Unique 2.35, 3.12 A)
&rst
ixpk= 467, nxpk= 20, iat= -1,1466, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 538, 539, 540,
&end
#
# 100 VAL HN 97 LYS HA 5.50 (# 468:20 Unique 2.90, 3.16 A)
&rst
ixpk= 468, nxpk= 20, iat=1518,1466, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 97 LYS HG+ 97 LYS HA 3.50 (# 469:20 Unique 2.33, 2.59 A)
&rst
ixpk= 469, nxpk= 20, iat= -1,1466, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1471,1472,
&end
#
# 0 AMB 20-2:470 97 LYS HA 4.50 (# 470:20 Single Ambig)
&rst
ixpk= 470, nxpk= 20, iat= -1,1466, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1474,1475, 535, 536,
&end
#
# 0 AMB 20-2:471 97 LYS HA 5.50 (# 471:20 Single Ambig)
&rst
ixpk= 471, nxpk= 20, iat= -1,1466, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=1458,1459,1460, 921, 922,
&end
#
# 100 VAL MGX 97 LYS HA 2.80 (# 472:20 Unique 2.25, 4.27 A)
&rst
ixpk= 472, nxpk= 20, iat= -1,1466, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1524,1525,1526,1528,1529,1530,
&end
#
# 34 ILE QG2 97 LYS HA 5.50 (# 473:20 Unique 4.19, 5.35 A)
&rst
ixpk= 473, nxpk= 20, iat= -1,1466, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 531, 532, 533,
&end
#
# 73 CYS HN 72 CYS HA 3.50 (# 479:20 Unique 2.18, 2.25 A)
&rst
ixpk= 479, nxpk= 20, iat=1083,1074, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 72 CYS HN 72 CYS HA 4.50 (# 480:20 Unique 2.90, 2.97 A)
&rst
ixpk= 480, nxpk= 20, iat=1072,1074, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 72 CYS HB- 72 CYS HA 4.50 (# 481:20 Unique 2.39, 2.75 A)
&rst
ixpk= 481, nxpk= 20, iat= -1,1074, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1076,1077,
&end
#
# 125 SER HN 125 SER HA 4.50 (# 483:20 Unique 2.68, 2.83 A)
&rst
ixpk= 483, nxpk= 20, iat=1938,1940, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 125 SER HB+ 125 SER HA 3.50 (# 488:20 Unique 2.34, 2.74 A)
&rst
ixpk= 488, nxpk= 20, iat= -1,1940, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1942,1943,
&end
#
# 0 AMB 20-2:490 125 SER HA 5.50 (# 490:20 Single Ambig)
&rst
ixpk= 490, nxpk= 20, iat= -1,1940, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=1868,1869,1820,1821,1822,
&end
#
# 0 AMB 20-2:492 125 SER HA 5.50 (# 492:20 Single Ambig)
&rst
ixpk= 492, nxpk= 20, iat= -1,1940, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1203,1204,1205,1207,1208,1209,1203,1204,1205,1207,
1208,1209,
&end
#
# 93 ILE HG1+ 90 GLU HA 5.50 (# 496:20 Unique 2.44, 3.83 A)
&rst
ixpk= 496, nxpk= 20, iat= -1,1365, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1423,1424,
&end
#
# 90 GLU HN 90 GLU HA 3.50 (# 497:20 Unique 2.81, 2.84 A)
&rst
ixpk= 497, nxpk= 20, iat=1363,1365, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 93 ILE HN 90 GLU HA 4.50 (# 498:20 Unique 3.22, 3.34 A)
&rst
ixpk= 498, nxpk= 20, iat=1413,1365, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 94 SER HN 90 GLU HA 5.50 (# 499:20 Unique 3.78, 3.88 A)
&rst
ixpk= 499, nxpk= 20, iat=1432,1365, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 91 VAL HN 90 GLU HA 4.50 (# 500:20 Unique 3.48, 3.51 A)
&rst
ixpk= 500, nxpk= 20, iat=1378,1365, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 90 GLU HG+ 90 GLU HA 3.50 (# 504:20 Unique 2.48, 3.27 A)
&rst
ixpk= 504, nxpk= 20, iat= -1,1365, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1370,1371,
&end
#
# 93 ILE HB 90 GLU HA 3.50 (# 506:20 Unique 2.29, 2.53 A)
&rst
ixpk= 506, nxpk= 20, iat=1417,1365, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 93 ILE HG1- 90 GLU HA 5.50 (# 507:20 Unique 2.44, 3.83 A)
&rst
ixpk= 507, nxpk= 20, iat= -1,1365, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1423,1424,
&end
#
# 0 AMB 20-2:508 90 GLU HA 4.50 (# 508:20 Single Ambig)
&rst
ixpk= 508, nxpk= 20, iat= -1,1365, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1353,1354,1355,1357,1358,1359,1419,1420,1421,
&end
#
# 93 ILE QD1 90 GLU HA 4.50 (# 509:20 Unique 2.79, 4.67 A)
&rst
ixpk= 509, nxpk= 20, iat= -1,1365, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1426,1427,1428,
&end
#
# 73 CYS HB+ 73 CYS HA 3.50 (# 518:20 Unique 2.44, 2.76 A)
&rst
ixpk= 518, nxpk= 20, iat= -1,1085, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1087,1088,
&end
#
# 69 VAL MGY 73 CYS HA 5.50 (# 519:20 Unique 4.17, 6.29 A)
&rst
ixpk= 519, nxpk= 20, iat= -1,1085, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1048,1049,1050,1052,1053,1054,
&end
#
# 66 GLU HN 66 GLU HA 3.50 (# 520:20 Unique 2.83, 2.86 A)
&rst
ixpk= 520, nxpk= 20, iat= 999,1001, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:521 66 GLU HA 4.50 (# 521:20 Single Ambig)
&rst
ixpk= 521, nxpk= 20, iat= -1,1001, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1058,1026,
&end
#
# 67 ASP HN 66 GLU HA 4.50 (# 522:20 Unique 3.47, 3.52 A)
&rst
ixpk= 522, nxpk= 20, iat=1014,1001, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 66 GLU HG+ 66 GLU HA 3.50 (# 524:20 Unique 3.74, 3.81 A)
&rst
ixpk= 524, nxpk= 20, iat= -1,1001, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1006,1007,
&end
#
# 66 GLU HB- 66 GLU HA 2.80 (# 525:20 Unique 2.34, 2.45 A)
&rst
ixpk= 525, nxpk= 20, iat= -1,1001, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1003,1004,
&end
#
# 69 VAL MGY 66 GLU HA 3.50 (# 526:20 Unique 2.24, 4.74 A)
&rst
ixpk= 526, nxpk= 20, iat= -1,1001, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1048,1049,1050,1052,1053,1054,
&end
#
# 69 VAL MGX 66 GLU HA 3.50 (# 527:20 Unique 2.24, 4.74 A)
&rst
ixpk= 527, nxpk= 20, iat= -1,1001, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1048,1049,1050,1052,1053,1054,
&end
#
# 74 TYR HN 73 CYS HA 3.50 (# 531:20 Unique 2.34, 2.41 A)
&rst
ixpk= 531, nxpk= 20, iat=1094,1085, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 92 ILE HG1+ 121 ARG HA 5.50 (# 534:20 Unique 2.58, 4.22 A)
&rst
ixpk= 534, nxpk= 20, iat= -1,1866, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1404,1405,
&end
#
# 121 ARG HB+ 121 ARG HA 3.50 (# 535:20 Unique 2.20, 2.54 A)
&rst
ixpk= 535, nxpk= 20, iat= -1,1866, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1868,1869,
&end
#
# 0 AMB 20-2:536 121 ARG HA 3.50 (# 536:20 Single Ambig)
&rst
ixpk= 536, nxpk= 20, iat= -1,1866, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1868,1869,1404,1405,
&end
#
# 92 ILE QD1 121 ARG HA 3.50 (# 537:20 Unique 2.17, 3.31 A)
&rst
ixpk= 537, nxpk= 20, iat= -1,1866, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1407,1408,1409,
&end
#
# 92 ILE QG2 121 ARG HA 4.50 (# 538:20 Unique 2.37, 3.81 A)
&rst
ixpk= 538, nxpk= 20, iat= -1,1866, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1400,1401,1402,
&end
#
# 121 ARG HG- 121 ARG HA 4.50 (# 539:20 Unique 2.46, 3.53 A)
&rst
ixpk= 539, nxpk= 20, iat= -1,1866, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1871,1872,
&end
#
# 65 LEU HB- 65 LEU HA 4.50 (# 541:20 Unique 2.45, 2.77 A)
&rst
ixpk= 541, nxpk= 20, iat= -1, 982, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 984, 985,
&end
#
# 66 GLU HN 65 LEU HA 5.50 (# 542:20 Unique 3.58, 3.61 A)
&rst
ixpk= 542, nxpk= 20, iat= 999, 982, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 65 LEU HN 65 LEU HA 4.50 (# 543:20 Unique 2.81, 2.85 A)
&rst
ixpk= 543, nxpk= 20, iat= 980, 982, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 68 VAL HN 65 LEU HA 5.50 (# 544:20 Unique 3.43, 3.63 A)
&rst
ixpk= 544, nxpk= 20, iat=1026, 982, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:545 65 LEU HA 4.50 (# 545:20 Single Ambig)
&rst
ixpk= 545, nxpk= 20, iat= -1, 982, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 958, 483, 484,
&end
#
# 68 VAL HB 65 LEU HA 4.50 (# 546:20 Unique 2.75, 3.11 A)
&rst
ixpk= 546, nxpk= 20, iat=1030, 982, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:547 65 LEU HA 3.50 (# 547:20 Single Ambig)
&rst
ixpk= 547, nxpk= 20, iat= -1, 982, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 984, 985, 987,
&end
#
# 33 VAL MGX 65 LEU HA 4.50 (# 548:20 Unique 2.15, 3.60 A)
&rst
ixpk= 548, nxpk= 20, iat= -1, 982, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 515, 516, 517, 519, 520, 521,
&end
#
# 65 LEU MDY 65 LEU HA 4.50 (# 549:20 Unique 2.22, 3.94 A)
&rst
ixpk= 549, nxpk= 20, iat= -1, 982, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 989, 990, 991, 993, 994, 995,
&end
#
# 0 AMB 20-2:550 65 LEU HA 2.80 (# 550:20 Single Ambig)
&rst
ixpk= 550, nxpk= 20, iat= -1, 982, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 515, 516, 517, 519, 520, 521, 989, 990, 991, 993,
994, 995,1032,1033,1034,1036,1037,1038,1032,1033,
1034,1036,1037,1038,
&end
#
# 18 ARG HN 17 PHE HA 4.50 (# 553:20 Unique 2.20, 2.29 A)
&rst
ixpk= 553, nxpk= 20, iat= 266, 248, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 17 PHE HB- 17 PHE HA 5.50 (# 554:20 Unique 2.35, 2.75 A)
&rst
ixpk= 554, nxpk= 20, iat= -1, 248, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 250, 251,
&end
#
# 22 GLU HG- 17 PHE HA 7.00 (# 555:20 Unique 1.96, 3.02 A)
&rst
ixpk= 555, nxpk= 20, iat= -1, 248, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 344, 345,
&end
#
# 119 GLN HN 119 GLN HA 3.50 (# 556:20 Unique 2.80, 2.85 A)
&rst
ixpk= 556, nxpk= 20, iat=1828,1830, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:557 121 ARG HA 4.50 (# 557:20 Single Ambig)
&rst
ixpk= 557, nxpk= 20, iat= -1,1866, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1290,1291,1916,
&end
#
# 0 AMB 20-2:558 0 AMB 20-1:558 5.50 (# 558:20 Double Ambig)
&rst
ixpk= 558, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1290,1291,1845,
igr2=1866,1830,
&end
#
# 0 AMB 20-2:559 0 AMB 20-1:559 4.50 (# 559:20 Double Ambig)
&rst
ixpk= 559, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1818,1780,1918,
igr2=1830,1866,
&end
#
# 119 GLN HG- 119 GLN HA 5.50 (# 561:20 Unique 2.46, 3.10 A)
&rst
ixpk= 561, nxpk= 20, iat= -1,1830, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1835,1836,
&end
#
# 119 GLN HG+ 119 GLN HA 3.50 (# 562:20 Unique 2.46, 3.10 A)
&rst
ixpk= 562, nxpk= 20, iat= -1,1830, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1835,1836,
&end
#
# 119 GLN HB- 119 GLN HA 2.80 (# 563:20 Unique 2.30, 2.74 A)
&rst
ixpk= 563, nxpk= 20, iat= -1,1830, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1832,1833,
&end
#
# 119 GLN HB+ 119 GLN HA 2.80 (# 564:20 Unique 2.30, 2.74 A)
&rst
ixpk= 564, nxpk= 20, iat= -1,1830, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1832,1833,
&end
#
# 55 SER HB+ 55 SER HA 2.80 (# 570:20 Unique 2.26, 2.65 A)
&rst
ixpk= 570, nxpk= 20, iat= -1, 820, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 822, 823,
&end
#
# 0 AMB 20-2:573 0 AMB 20-1:573 4.50 (# 573:20 Double Ambig)
&rst
ixpk= 573, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1753,1754,1820,1821,1822,
igr2=1688,1763,
&end
#
# 118 THR HN 115 HIS HA 5.50 (# 574:20 Unique 3.17, 3.54 A)
&rst
ixpk= 574, nxpk= 20, iat=1814,1763, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:575 115 HIS HA 4.50 (# 575:20 Single Ambig)
&rst
ixpk= 575, nxpk= 20, iat= -1,1763, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1761,1828,
&end
#
# 115 HIS HB- 115 HIS HA 3.50 (# 576:20 Unique 2.41, 2.77 A)
&rst
ixpk= 576, nxpk= 20, iat= -1,1763, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1765,1766,
&end
#
# 111 ARG HN 110 SER HA 4.50 (# 577:20 Unique 3.61, 3.63 A)
&rst
ixpk= 577, nxpk= 20, iat=1697,1688, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:578 110 SER HA 3.50 (# 578:20 Single Ambig)
&rst
ixpk= 578, nxpk= 20, iat= -1,1688, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1690,1691,1690,1691,
&end
#
# 114 GLU HN 114 GLU HA 5.50 (# 579:20 Unique 2.83, 2.86 A)
&rst
ixpk= 579, nxpk= 20, iat=1746,1748, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 24 TRP HB- 114 GLU HA 5.50 (# 580:20 Unique 3.76, 5.48 A)
&rst
ixpk= 580, nxpk= 20, iat= -1,1748, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 373, 374,
&end
#
# 114 GLU HB- 114 GLU HA 4.50 (# 581:20 Unique 2.49, 2.78 A)
&rst
ixpk= 581, nxpk= 20, iat= -1,1748, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1750,1751,
&end
#
# 0 AMB 20-2:582 114 GLU HA 3.50 (# 582:20 Single Ambig)
&rst
ixpk= 582, nxpk= 20, iat= -1,1748, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1804,1805,1806,1808,1809,1810,1753,1754,
&end
#
# 114 GLU HG- 114 GLU HA 4.50 (# 583:20 Unique 2.38, 2.81 A)
&rst
ixpk= 583, nxpk= 20, iat= -1,1748, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1753,1754,
&end
#
# 56 ASN HB- 55 SER HA 5.50 (# 587:20 Unique 4.95, 5.44 A)
&rst
ixpk= 587, nxpk= 20, iat= -1, 820, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 833, 834,
&end
#
# 83 GLU HN 82 HIS HA 5.50 (# 596:20 Unique 3.40, 3.50 A)
&rst
ixpk= 596, nxpk= 20, iat=1242,1227, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 98 GLU HG+ 98 GLU HA 3.50 (# 599:20 Unique 2.39, 3.02 A)
&rst
ixpk= 599, nxpk= 20, iat= -1,1488, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1493,1494,
&end
#
# 97 LYS HN 98 GLU HA 7.00 (# 600:20 Unique 5.33, 5.36 A)
&rst
ixpk= 600, nxpk= 20, iat=1464,1488, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 98 GLU HN 98 GLU HA 3.50 (# 601:20 Unique 2.83, 2.85 A)
&rst
ixpk= 601, nxpk= 20, iat=1486,1488, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 99 MET HN 98 GLU HA 4.50 (# 602:20 Unique 3.53, 3.55 A)
&rst
ixpk= 602, nxpk= 20, iat=1501,1488, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 100 VAL HN 98 GLU HA 5.50 (# 603:20 Unique 4.00, 4.28 A)
&rst
ixpk= 603, nxpk= 20, iat=1518,1488, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 98 GLU HB- 98 GLU HA 2.80 (# 604:20 Unique 2.58, 2.82 A)
&rst
ixpk= 604, nxpk= 20, iat= -1,1488, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1490,1491,
&end
#
# 97 LYS HB- 98 GLU HA 5.50 (# 605:20 Unique 4.26, 4.63 A)
&rst
ixpk= 605, nxpk= 20, iat= -1,1488, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1468,1469,
&end
#
# 0 AMB 20-2:607 82 HIS HA 2.80 (# 607:20 Single Ambig)
&rst
ixpk= 607, nxpk= 20, iat= -1,1227, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1229,1230,1229,1230,
&end
#
# 120 LEU HN 120 LEU HA 4.50 (# 616:20 Unique 2.83, 2.87 A)
&rst
ixpk= 616, nxpk= 20, iat=1845,1847, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 120 LEU HB- 120 LEU HA 4.50 (# 618:20 Unique 2.47, 2.80 A)
&rst
ixpk= 618, nxpk= 20, iat= -1,1847, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1849,1850,
&end
#
# 120 LEU HG 120 LEU HA 4.50 (# 619:20 Unique 2.71, 2.86 A)
&rst
ixpk= 619, nxpk= 20, iat=1852,1847, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 120 LEU HB+ 120 LEU HA 4.50 (# 620:20 Unique 2.47, 2.80 A)
&rst
ixpk= 620, nxpk= 20, iat= -1,1847, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1849,1850,
&end
#
# 92 ILE QG2 120 LEU HA 4.50 (# 621:20 Unique 3.70, 4.83 A)
&rst
ixpk= 621, nxpk= 20, iat= -1,1847, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1400,1401,1402,
&end
#
# 120 LEU MDX 120 LEU HA 2.80 (# 622:20 Unique 2.14, 3.87 A)
&rst
ixpk= 622, nxpk= 20, iat= -1,1847, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1854,1855,1856,1858,1859,1860,
&end
#
# 120 LEU MDY 120 LEU HA 4.50 (# 623:20 Unique 2.14, 3.87 A)
&rst
ixpk= 623, nxpk= 20, iat= -1,1847, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1854,1855,1856,1858,1859,1860,
&end
#
# 58 ALA HN 105 LYS HA 4.50 (# 625:20 Unique 2.79, 3.37 A)
&rst
ixpk= 625, nxpk= 20, iat= 854,1599, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:626 105 LYS HA 3.50 (# 626:20 Single Ambig)
&rst
ixpk= 626, nxpk= 20, iat= -1,1599, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1597,1640,
&end
#
# 39 PRO HG- 105 LYS HA 4.50 (# 630:20 Unique 3.62, 5.13 A)
&rst
ixpk= 630, nxpk= 20, iat= -1,1599, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 608, 609,
&end
#
# 105 LYS HB+ 105 LYS HA 2.80 (# 631:20 Unique 2.44, 2.84 A)
&rst
ixpk= 631, nxpk= 20, iat= -1,1599, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1601,1602,
&end
#
# 105 LYS HG+ 105 LYS HA 4.50 (# 632:20 Unique 2.36, 3.33 A)
&rst
ixpk= 632, nxpk= 20, iat= -1,1599, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1604,1605,
&end
#
# 105 LYS HG- 105 LYS HA 4.50 (# 633:20 Unique 2.36, 3.33 A)
&rst
ixpk= 633, nxpk= 20, iat= -1,1599, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1604,1605,
&end
#
# 0 AMB 20-2:636 64 ARG HA 3.50 (# 636:20 Single Ambig)
&rst
ixpk= 636, nxpk= 20, iat= -1, 958, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 960, 961, 960, 961,
&end
#
# 0 AMB 20-2:637 64 ARG HA 5.50 (# 637:20 Single Ambig)
&rst
ixpk= 637, nxpk= 20, iat= -1, 958, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 515, 516, 517, 519, 520, 521,1032,1033,1034,1036,
1037,1038,1032,1033,1034,1036,1037,1038,
&end
#
# 103 LYS HN 102 GLN HA 2.80 (# 649:20 Unique 2.09, 2.21 A)
&rst
ixpk= 649, nxpk= 20, iat=1558,1543, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 102 GLN HN 102 GLN HA 3.50 (# 650:20 Unique 2.88, 2.91 A)
&rst
ixpk= 650, nxpk= 20, iat=1541,1543, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 103 LYS HA 102 GLN HA 5.50 (# 651:20 Unique 4.25, 4.42 A)
&rst
ixpk= 651, nxpk= 20, iat=1560,1543, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 102 GLN HG- 102 GLN HA 4.50 (# 652:20 Unique 2.89, 3.56 A)
&rst
ixpk= 652, nxpk= 20, iat= -1,1543, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1548,1549,
&end
#
# 102 GLN HB- 102 GLN HA 2.80 (# 653:20 Unique 2.28, 2.66 A)
&rst
ixpk= 653, nxpk= 20, iat= -1,1543, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1545,1546,
&end
#
# 60 VAL HN 102 GLN HA 5.50 (# 654:20 Unique 4.93, 5.03 A)
&rst
ixpk= 654, nxpk= 20, iat= 879,1543, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 102 GLN HG+ 102 GLN HA 3.50 (# 655:20 Unique 2.89, 3.56 A)
&rst
ixpk= 655, nxpk= 20, iat= -1,1543, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1548,1549,
&end
#
# 84 TYR HN 83 GLU HA 3.50 (# 657:20 Unique 3.31, 3.45 A)
&rst
ixpk= 657, nxpk= 20, iat=1257,1244, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 83 GLU HN 83 GLU HA 3.50 (# 658:20 Unique 2.87, 2.92 A)
&rst
ixpk= 658, nxpk= 20, iat=1242,1244, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 83 GLU HG+ 83 GLU HA 3.50 (# 659:20 Unique 2.45, 3.45 A)
&rst
ixpk= 659, nxpk= 20, iat= -1,1244, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1249,1250,
&end
#
# 83 GLU HB+ 83 GLU HA 2.80 (# 660:20 Unique 2.41, 2.75 A)
&rst
ixpk= 660, nxpk= 20, iat= -1,1244, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1246,1247,
&end
#
# 0 AMB 20-2:661 64 ARG HA 3.50 (# 661:20 Single Ambig)
&rst
ixpk= 661, nxpk= 20, iat= -1, 958, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 956, 509,
&end
#
# 65 LEU HN 64 ARG HA 3.50 (# 662:20 Unique 2.10, 2.18 A)
&rst
ixpk= 662, nxpk= 20, iat= 980, 958, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 32 TYR HD 64 ARG HA 5.50 (# 663:20 Unique 2.82, 4.18 A)
&rst
ixpk= 663, nxpk= 20, iat= -1, 958, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 496, 505,
&end
#
# 32 TYR HA 64 ARG HA 3.50 (# 664:20 Unique 2.24, 2.48 A)
&rst
ixpk= 664, nxpk= 20, iat= 490, 958, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 64 ARG HG- 64 ARG HA 4.50 (# 665:20 Unique 2.31, 2.83 A)
&rst
ixpk= 665, nxpk= 20, iat= -1, 958, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 963, 964,
&end
#
# 0 AMB 20-2:672 67 ASP HA 4.50 (# 672:20 Single Ambig)
&rst
ixpk= 672, nxpk= 20, iat= -1,1016, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1026,1058,
&end
#
# 67 ASP HN 67 ASP HA 3.50 (# 673:20 Unique 2.91, 2.93 A)
&rst
ixpk= 673, nxpk= 20, iat=1014,1016, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:674 67 ASP HA 2.80 (# 674:20 Single Ambig)
&rst
ixpk= 674, nxpk= 20, iat= -1,1016, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1018,1019,1018,1019,
&end
#
# 0 AMB 20-2:676 67 ASP HA 4.50 (# 676:20 Single Ambig)
&rst
ixpk= 676, nxpk= 20, iat= -1,1016, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
1037,1038,1048,1049,1050,1052,1053,1054,
&end
#
# 0 AMB 20-2:677 19 LEU HA 4.50 (# 677:20 Single Ambig)
&rst
ixpk= 677, nxpk= 20, iat= -1, 292, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 276, 277, 250, 251,
&end
#
# 0 AMB 20-2:678 0 AMB 20-1:678 3.50 (# 678:20 Double Ambig)
&rst
ixpk= 678, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 818, 799,1721,
igr2= 631,1699,
&end
#
# 41 GLU HG+ 41 GLU HA 3.50 (# 680:20 Unique 2.21, 3.26 A)
&rst
ixpk= 680, nxpk= 20, iat= -1, 631, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 636, 637,
&end
#
# 0 AMB 20-2:681 0 AMB 20-1:681 2.80 (# 681:20 Double Ambig)
&rst
ixpk= 681, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 633, 634,1701,1702,
igr2= 631,1699,
&end
#
# 0 AMB 20-2:682 0 AMB 20-1:682 3.50 (# 682:20 Double Ambig)
&rst
ixpk= 682, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 633, 634,1704,1705,1701,1702,
igr2= 631,1699,
&end
#
# 0 AMB 20-2:688 0 AMB 20-1:688 3.50 (# 688:20 Double Ambig)
&rst
ixpk= 688, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1060,1061, 311, 312,
igr2=1016, 292,
&end
#
# 20 GLY HN 19 LEU HA 3.50 (# 689:20 Unique 2.43, 3.03 A)
&rst
ixpk= 689, nxpk= 20, iat= 309, 292, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 19 LEU HB- 19 LEU HA 4.50 (# 690:20 Unique 2.29, 2.64 A)
&rst
ixpk= 690, nxpk= 20, iat= -1, 292, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 294, 295,
&end
#
# 0 AMB 20-2:693 19 LEU HA 2.80 (# 693:20 Single Ambig)
&rst
ixpk= 693, nxpk= 20, iat= -1, 292, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 294, 295, 297,
&end
#
# 0 AMB 20-2:694 19 LEU HA 3.50 (# 694:20 Single Ambig)
&rst
ixpk= 694, nxpk= 20, iat= -1, 292, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 299, 300, 301, 303, 304, 305, 299, 300, 301, 303,
304, 305,
&end
#
# 107 SER HB+ 107 SER HA 3.50 (# 702:20 Unique 2.26, 2.68 A)
&rst
ixpk= 702, nxpk= 20, iat= -1,1642, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1644,1645,
&end
#
# 107 SER HB- 107 SER HA 3.50 (# 703:20 Unique 2.26, 2.68 A)
&rst
ixpk= 703, nxpk= 20, iat= -1,1642, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1644,1645,
&end
#
# 80 LEU HN 80 LEU HA 4.50 (# 705:20 Unique 2.83, 2.88 A)
&rst
ixpk= 705, nxpk= 20, iat=1194,1196, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 80 LEU HG 80 LEU HA 4.50 (# 706:20 Unique 2.67, 3.13 A)
&rst
ixpk= 706, nxpk= 20, iat=1201,1196, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 80 LEU HB+ 80 LEU HA 3.50 (# 707:20 Unique 2.43, 2.77 A)
&rst
ixpk= 707, nxpk= 20, iat= -1,1196, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1198,1199,
&end
#
# 0 AMB 20-2:708 80 LEU HA 2.80 (# 708:20 Single Ambig)
&rst
ixpk= 708, nxpk= 20, iat= -1,1196, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1203,1204,1205,1207,1208,1209,1203,1204,1205,1207,
1208,1209,
&end
#
# 31 GLY HN 30 ASP HA 3.50 (# 710:20 Unique 2.35, 2.59 A)
&rst
ixpk= 710, nxpk= 20, iat= 481, 471, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:712 0 AMB 20-1:712 3.50 (# 712:20 Double Ambig)
&rst
ixpk= 712, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1319,1320, 473, 474,
igr2=1311, 471,
&end
#
# 30 ASP HB- 30 ASP HA 4.50 (# 713:20 Unique 2.27, 2.72 A)
&rst
ixpk= 713, nxpk= 20, iat= -1, 471, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 473, 474,
&end
#
# 87 ARG HN 87 ARG HA 4.50 (# 714:20 Unique 2.16, 2.24 A)
&rst
ixpk= 714, nxpk= 20, iat=1309,1311, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 88 PRO HD+ 87 ARG HA 2.80 (# 715:20 Unique 2.11, 2.65 A)
&rst
ixpk= 715, nxpk= 20, iat= -1,1311, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1334,1335,
&end
#
# 88 PRO HD- 87 ARG HA 3.50 (# 716:20 Unique 2.11, 2.65 A)
&rst
ixpk= 716, nxpk= 20, iat= -1,1311, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1334,1335,
&end
#
# 0 AMB 20-2:717 87 ARG HA 5.50 (# 717:20 Single Ambig)
&rst
ixpk= 717, nxpk= 20, iat= -1,1311, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1337,1338,1382,
&end
#
# 125 SER HN 124 LYS HA 3.50 (# 718:20 Unique 3.21, 3.46 A)
&rst
ixpk= 718, nxpk= 20, iat=1938,1918, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 124 LYS HB+ 124 LYS HA 2.80 (# 719:20 Unique 2.37, 2.80 A)
&rst
ixpk= 719, nxpk= 20, iat= -1,1918, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1920,1921,
&end
#
# 124 LYS HN 124 LYS HA 4.50 (# 720:20 Unique 2.88, 2.95 A)
&rst
ixpk= 720, nxpk= 20, iat=1916,1918, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 124 LYS HG- 124 LYS HA 4.50 (# 722:20 Unique 2.32, 3.34 A)
&rst
ixpk= 722, nxpk= 20, iat= -1,1918, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1923,1924,
&end
#
# 102 GLN HE2+ 99 MET HA 5.50 (# 737:20 Unique 2.26, 4.51 A)
&rst
ixpk= 737, nxpk= 20, iat= -1,1503, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1553,1554,
&end
#
# 99 MET HG- 99 MET HA 4.50 (# 738:20 Unique 2.42, 2.64 A)
&rst
ixpk= 738, nxpk= 20, iat= -1,1503, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1508,1509,
&end
#
# 102 GLN HG- 99 MET HA 3.50 (# 739:20 Unique 2.39, 2.88 A)
&rst
ixpk= 739, nxpk= 20, iat= -1,1503, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1548,1549,
&end
#
# 0 AMB 20-2:740 54 LEU HA 4.50 (# 740:20 Single Ambig)
&rst
ixpk= 740, nxpk= 20, iat= -1, 801, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 818, 799,
&end
#
# 0 AMB 20-2:743 0 AMB 20-1:743 2.80 (# 743:20 Double Ambig)
&rst
ixpk= 743, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1316,1317, 803, 804,1313,1314,
igr2=1311, 801,
&end
#
# 0 AMB 20-2:744 54 LEU HA 3.50 (# 744:20 Single Ambig)
&rst
ixpk= 744, nxpk= 20, iat= -1, 801, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 808, 809, 810, 812, 813, 814, 808, 809, 810, 812,
813, 814,
&end
#
# 7 GLU HN 6 GLN HA 3.50 (# 745:20 Unique 2.17, 2.48 A)
&rst
ixpk= 745, nxpk= 20, iat= 90, 75, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 6 GLN HG+ 6 GLN HA 3.50 (# 747:20 Unique 2.51, 3.05 A)
&rst
ixpk= 747, nxpk= 20, iat= -1, 75, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 80, 81,
&end
#
# 6 GLN HB- 6 GLN HA 2.80 (# 748:20 Unique 2.32, 2.71 A)
&rst
ixpk= 748, nxpk= 20, iat= -1, 75, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 77, 78,
&end
#
# 99 MET HN 99 MET HA 4.50 (# 749:20 Unique 2.88, 2.90 A)
&rst
ixpk= 749, nxpk= 20, iat=1501,1503, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 100 VAL HN 99 MET HA 4.50 (# 750:20 Unique 3.50, 3.56 A)
&rst
ixpk= 750, nxpk= 20, iat=1518,1503, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 99 MET HG+ 99 MET HA 4.50 (# 751:20 Unique 2.42, 2.64 A)
&rst
ixpk= 751, nxpk= 20, iat= -1,1503, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1508,1509,
&end
#
# 99 MET HB- 99 MET HA 3.50 (# 752:20 Unique 2.51, 2.80 A)
&rst
ixpk= 752, nxpk= 20, iat= -1,1503, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1505,1506,
&end
#
# 0 AMB 20-2:753 99 MET HA 4.50 (# 753:20 Single Ambig)
&rst
ixpk= 753, nxpk= 20, iat= -1,1503, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1=1545,1546,1490,1491,1512,1513,1514,
&end
#
# 6 GLN HB+ 6 GLN HA 3.50 (# 755:20 Unique 2.32, 2.71 A)
&rst
ixpk= 755, nxpk= 20, iat= -1, 75, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 77, 78,
&end
#
# 97 LYS HN 96 ALA HA 4.50 (# 756:20 Unique 3.56, 3.61 A)
&rst
ixpk= 756, nxpk= 20, iat=1464,1456, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 96 ALA HN 96 ALA HA 4.50 (# 757:20 Unique 2.80, 2.82 A)
&rst
ixpk= 757, nxpk= 20, iat=1454,1456, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 99 MET HN 96 ALA HA 5.50 (# 758:20 Unique 3.40, 3.51 A)
&rst
ixpk= 758, nxpk= 20, iat=1501,1456, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:759 96 ALA HA 7.00 (# 759:20 Single Ambig)
&rst
ixpk= 759, nxpk= 20, iat= -1,1456, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1=1788,1792,1518,
&end
#
# 99 MET HG- 96 ALA HA 4.50 (# 763:20 Unique 3.94, 4.76 A)
&rst
ixpk= 763, nxpk= 20, iat= -1,1456, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1508,1509,
&end
#
# 99 MET HB- 96 ALA HA 5.50 (# 765:20 Unique 2.61, 3.57 A)
&rst
ixpk= 765, nxpk= 20, iat= -1,1456, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1505,1506,
&end
#
# 96 ALA MB 96 ALA HA 2.80 (# 766:20 Unique 2.39, 2.68 A)
&rst
ixpk= 766, nxpk= 20, iat= -1,1456, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1458,1459,1460,
&end
#
# 0 AMB 20-2:767 96 ALA HA 5.50 (# 767:20 Single Ambig)
&rst
ixpk= 767, nxpk= 20, iat= -1,1456, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 531, 532, 533,1849,1850,
&end
#
# 120 LEU MDX 96 ALA HA 3.50 (# 768:20 Unique 2.14, 3.90 A)
&rst
ixpk= 768, nxpk= 20, iat= -1,1456, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1854,1855,1856,1858,1859,1860,
&end
#
# 120 LEU MDY 96 ALA HA 3.50 (# 769:20 Unique 2.14, 3.90 A)
&rst
ixpk= 769, nxpk= 20, iat= -1,1456, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1854,1855,1856,1858,1859,1860,
&end
#
# 0 AMB 20-2:770 96 ALA HA 4.50 (# 770:20 Single Ambig)
&rst
ixpk= 770, nxpk= 20, iat= -1,1456, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 538, 539, 540, 885, 886, 887, 889, 890, 891,
&end
#
# 16 ILE HN 15 GLU HA 3.50 (# 780:20 Unique 2.20, 2.29 A)
&rst
ixpk= 780, nxpk= 20, iat= 227, 214, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 15 GLU HB- 15 GLU HA 4.50 (# 782:20 Unique 2.33, 2.75 A)
&rst
ixpk= 782, nxpk= 20, iat= -1, 214, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 216, 217,
&end
#
# 24 TRP HA 15 GLU HA 4.50 (# 784:20 Unique 2.04, 2.38 A)
&rst
ixpk= 784, nxpk= 20, iat= 371, 214, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:786 15 GLU HA 4.50 (# 786:20 Single Ambig)
&rst
ixpk= 786, nxpk= 20, iat= -1, 214, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 216, 217, 237, 238,
&end
#
# 15 GLU HG- 15 GLU HA 4.50 (# 787:20 Unique 2.40, 2.92 A)
&rst
ixpk= 787, nxpk= 20, iat= -1, 214, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 219, 220,
&end
#
# 7 GLU HN 7 GLU HA 5.50 (# 790:20 Unique 2.18, 2.83 A)
&rst
ixpk= 790, nxpk= 20, iat= 90, 92, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 8 PRO HD- 7 GLU HA 2.80 (# 791:20 Unique 2.09, 2.42 A)
&rst
ixpk= 791, nxpk= 20, iat= -1, 92, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 106, 107,
&end
#
# 8 PRO HD+ 7 GLU HA 3.50 (# 792:20 Unique 2.09, 2.42 A)
&rst
ixpk= 792, nxpk= 20, iat= -1, 92, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 106, 107,
&end
#
# 0 AMB 20-2:793 7 GLU HA 4.50 (# 793:20 Single Ambig)
&rst
ixpk= 793, nxpk= 20, iat= -1, 92, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 97, 98, 97, 98,
&end
#
# 7 GLU HB- 7 GLU HA 3.50 (# 794:20 Unique 2.50, 2.80 A)
&rst
ixpk= 794, nxpk= 20, iat= -1, 92, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 94, 95,
&end
#
# 7 GLU HB+ 7 GLU HA 3.50 (# 795:20 Unique 2.50, 2.80 A)
&rst
ixpk= 795, nxpk= 20, iat= -1, 92, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 94, 95,
&end
#
# 0 AMB 20-2:796 7 GLU HA 5.50 (# 796:20 Single Ambig)
&rst
ixpk= 796, nxpk= 20, iat= -1, 92, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 109, 110, 203, 204,
&end
#
# 8 PRO HG- 7 GLU HA 5.50 (# 797:20 Unique 4.23, 4.54 A)
&rst
ixpk= 797, nxpk= 20, iat= -1, 92, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 109, 110,
&end
#
# 61 LYS HN 36 LEU HA 4.50 (# 802:20 Unique 2.99, 3.43 A)
&rst
ixpk= 802, nxpk= 20, iat= 895, 563, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 37 ALA HN 36 LEU HA 3.50 (# 803:20 Unique 2.09, 2.15 A)
&rst
ixpk= 803, nxpk= 20, iat= 580, 563, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 60 VAL HA 36 LEU HA 3.50 (# 804:20 Unique 2.07, 2.18 A)
&rst
ixpk= 804, nxpk= 20, iat= 881, 563, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 36 LEU HG 36 LEU HA 4.50 (# 805:20 Unique 2.60, 3.17 A)
&rst
ixpk= 805, nxpk= 20, iat= 568, 563, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 36 LEU MDY 36 LEU HA 4.50 (# 806:20 Unique 2.17, 3.84 A)
&rst
ixpk= 806, nxpk= 20, iat= -1, 563, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 570, 571, 572, 574, 575, 576,
&end
#
# 36 LEU MDX 36 LEU HA 3.50 (# 807:20 Unique 2.17, 3.84 A)
&rst
ixpk= 807, nxpk= 20, iat= -1, 563, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 570, 571, 572, 574, 575, 576,
&end
#
# 0 AMB 20-2:808 36 LEU HA 4.50 (# 808:20 Single Ambig)
&rst
ixpk= 808, nxpk= 20, iat= -1, 563, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 565, 566, 885, 886, 887, 889, 890, 891,
&end
#
# 45 ALA MB 45 ALA HA 2.80 (# 818:20 Unique 2.43, 2.67 A)
&rst
ixpk= 818, nxpk= 20, iat= -1, 688, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 690, 691, 692,
&end
#
# 58 ALA HN 58 ALA HA 4.50 (# 833:20 Unique 2.84, 2.91 A)
&rst
ixpk= 833, nxpk= 20, iat= 854, 856, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 59 GLU HN 58 ALA HA 3.50 (# 834:20 Unique 2.35, 2.41 A)
&rst
ixpk= 834, nxpk= 20, iat= 864, 856, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:837 58 ALA HA 4.50 (# 837:20 Single Ambig)
&rst
ixpk= 837, nxpk= 20, iat= -1, 856, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 868, 869,1584,1585,1607,1608,1562,1563,
&end
#
# 58 ALA MB 58 ALA HA 3.50 (# 838:20 Unique 2.35, 2.69 A)
&rst
ixpk= 838, nxpk= 20, iat= -1, 856, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 858, 859, 860,
&end
#
# 85 GLN HA 86 PRO HD+ 3.50 (# 843:20 Unique 2.14, 2.53 A)
&rst
ixpk= 843, nxpk= 20, iat=1280, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1296,1297,
&end
#
# 85 GLN HG+ 86 PRO HD+ 5.50 (# 845:20 Unique 2.10, 3.73 A)
&rst
ixpk= 845, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1285,1286,
igr2=1296,1297,
&end
#
# 86 PRO HG+ 86 PRO HD+ 3.50 (# 846:20 Unique 2.31, 2.60 A)
&rst
ixpk= 846, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1299,1300,
igr2=1296,1297,
&end
#
# 85 GLN HA 86 PRO HD- 3.50 (# 848:20 Unique 2.14, 2.53 A)
&rst
ixpk= 848, nxpk= 20, iat=1280, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1296,1297,
&end
#
# 85 GLN HG+ 86 PRO HD- 4.50 (# 850:20 Unique 2.10, 3.73 A)
&rst
ixpk= 850, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1285,1286,
igr2=1296,1297,
&end
#
# 86 PRO HG+ 86 PRO HD- 3.50 (# 852:20 Unique 2.31, 2.60 A)
&rst
ixpk= 852, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1299,1300,
igr2=1296,1297,
&end
#
# 42 TYR HA 43 PRO HD+ 3.50 (# 859:20 Unique 2.73, 4.08 A)
&rst
ixpk= 859, nxpk= 20, iat= 646, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 666, 667,
&end
#
# 0 AMB 20-2:863 0 AMB 20-1:863 4.50 (# 863:20 Double Ambig)
&rst
ixpk= 863, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1725,1726, 132, 133,
igr2= 605, 606, 142, 143,
&end
#
# 0 AMB 20-2:864 0 AMB 20-1:864 4.50 (# 864:20 Double Ambig)
&rst
ixpk= 864, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 672, 673, 611, 612,
igr2= 666, 667, 605, 606,
&end
#
# 0 AMB 20-2:865 0 AMB 20-1:865 2.80 (# 865:20 Double Ambig)
&rst
ixpk= 865, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 633, 634, 669, 670, 608, 609,
igr2= 666, 667, 666, 667, 605, 606,
&end
#
# 0 AMB 20-2:871 0 AMB 20-1:871 7.00 (# 871:20 Double Ambig)
&rst
ixpk= 871, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=12.47, r4=13.22,
igr1=1730,1731, 324, 333,
igr2= 605, 606, 591, 592, 591, 592, 666, 667,
&end
#
# 42 TYR HA 43 PRO HD- 3.50 (# 872:20 Unique 2.73, 4.08 A)
&rst
ixpk= 872, nxpk= 20, iat= 646, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 666, 667,
&end
#
# 112 ASN HB+ 39 PRO HD- 4.50 (# 875:20 Unique 2.47, 3.43 A)
&rst
ixpk= 875, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1725,1726,
igr2= 605, 606,
&end
#
# 112 ASN HB- 39 PRO HD- 5.50 (# 876:20 Unique 2.47, 3.43 A)
&rst
ixpk= 876, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1725,1726,
igr2= 605, 606,
&end
#
# 0 AMB 20-2:877 0 AMB 20-1:877 5.50 (# 877:20 Double Ambig)
&rst
ixpk= 877, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 672, 673, 611, 612,
igr2= 666, 667, 605, 606,
&end
#
# 0 AMB 20-2:878 0 AMB 20-1:878 3.50 (# 878:20 Double Ambig)
&rst
ixpk= 878, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 633, 634, 669, 670, 608, 609,
igr2= 666, 667, 605, 606,
&end
#
# 0 AMB 20-2:891 0 AMB 20-1:891 7.00 (# 891:20 Double Ambig)
&rst
ixpk= 891, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
igr1= 119, 155,
igr2= 142, 143, 142, 143,
&end
#
# 9 LYS HA 10 PRO HD+ 3.50 (# 892:20 Unique 2.27, 2.53 A)
&rst
ixpk= 892, nxpk= 20, iat= 121, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 142, 143,
&end
#
# 0 AMB 20-2:894 0 AMB 20-1:894 4.50 (# 894:20 Double Ambig)
&rst
ixpk= 894, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 129, 130, 97, 98,
igr2= 142, 143, 142, 143,
&end
#
# 0 AMB 20-2:895 0 AMB 20-1:895 3.50 (# 895:20 Double Ambig)
&rst
ixpk= 895, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 123, 124, 148, 149,
igr2= 142, 143, 142, 143,
&end
#
# 9 LYS HG+ 10 PRO HD+ 5.50 (# 896:20 Unique 2.98, 4.40 A)
&rst
ixpk= 896, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 126, 127,
igr2= 142, 143,
&end
#
# 0 AMB 20-2:898 0 AMB 20-1:898 2.80 (# 898:20 Double Ambig)
&rst
ixpk= 898, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 582, 614,
igr2= 591, 592, 605, 606,
&end
#
# 0 AMB 20-2:899 0 AMB 20-1:899 4.50 (# 899:20 Double Ambig)
&rst
ixpk= 899, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1= 803, 804,1584,1585, 294, 295,
igr2= 591, 592, 666, 667, 605, 606, 666, 667,
&end
#
# 0 AMB 20-2:902 0 AMB 20-1:902 4.50 (# 902:20 Double Ambig)
&rst
ixpk= 902, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 129, 130, 97, 98,1587,1588,
igr2= 142, 143, 605, 606,
&end
#
# 0 AMB 20-2:903 0 AMB 20-1:903 2.80 (# 903:20 Double Ambig)
&rst
ixpk= 903, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 123, 124, 123, 124, 633, 634,
igr2= 142, 143, 666, 667,
&end
#
# 0 AMB 20-2:904 0 AMB 20-1:904 4.50 (# 904:20 Double Ambig)
&rst
ixpk= 904, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 858, 859, 860, 584, 585, 586,
igr2= 605, 606, 591, 592,
&end
#
# 7 GLU HA 8 PRO HD- 2.80 (# 905:20 Unique 2.09, 2.42 A)
&rst
ixpk= 905, nxpk= 20, iat= 92, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 106, 107,
&end
#
# 8 PRO HG+ 8 PRO HD- 4.50 (# 907:20 Unique 2.26, 2.59 A)
&rst
ixpk= 907, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 109, 110,
igr2= 106, 107,
&end
#
# 8 PRO HG- 8 PRO HD- 4.50 (# 908:20 Unique 2.26, 2.59 A)
&rst
ixpk= 908, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 109, 110,
igr2= 106, 107,
&end
#
# 8 PRO HB+ 8 PRO HD- 7.00 (# 909:20 Unique 2.80, 3.70 A)
&rst
ixpk= 909, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 112, 113,
igr2= 106, 107,
&end
#
# 0 AMB 20-2:910 8 PRO HD- 5.50 (# 910:20 Single Ambig)
&rst
ixpk= 910, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 989, 990, 991, 993, 994, 995, 206, 207, 208,
igr2= 106, 107,
&end
#
# 37 ALA HA 38 PRO HD+ 3.50 (# 911:20 Unique 2.04, 2.37 A)
&rst
ixpk= 911, nxpk= 20, iat= 582, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 591, 592,
&end
#
# 37 ALA MB 38 PRO HD+ 4.50 (# 913:20 Unique 2.35, 4.16 A)
&rst
ixpk= 913, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 584, 585, 586,
igr2= 591, 592,
&end
#
# 7 GLU HA 8 PRO HD+ 2.80 (# 917:20 Unique 2.09, 2.42 A)
&rst
ixpk= 917, nxpk= 20, iat= 92, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 106, 107,
&end
#
# 0 AMB 20-2:921 0 AMB 20-1:921 5.50 (# 921:20 Double Ambig)
&rst
ixpk= 921, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 97, 98, 97, 98,
igr2= 106, 107, 106, 107,
&end
#
# 8 PRO HG+ 8 PRO HD+ 4.50 (# 922:20 Unique 2.26, 2.59 A)
&rst
ixpk= 922, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 109, 110,
igr2= 106, 107,
&end
#
# 8 PRO HG- 8 PRO HD+ 4.50 (# 923:20 Unique 2.26, 2.59 A)
&rst
ixpk= 923, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 109, 110,
igr2= 106, 107,
&end
#
# 8 PRO HB+ 8 PRO HD+ 7.00 (# 924:20 Unique 2.80, 3.70 A)
&rst
ixpk= 924, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 112, 113,
igr2= 106, 107,
&end
#
# 0 AMB 20-2:925 0 AMB 20-1:925 5.50 (# 925:20 Double Ambig)
&rst
ixpk= 925, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 989, 990, 991, 993, 994, 995, 206, 207, 208,
igr2= 106, 107, 106, 107,
&end
#
# 87 ARG HA 88 PRO HD+ 3.50 (# 928:20 Unique 2.11, 2.65 A)
&rst
ixpk= 928, nxpk= 20, iat=1311, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1334,1335,
&end
#
# 88 PRO HG+ 88 PRO HD+ 3.50 (# 929:20 Unique 2.29, 2.60 A)
&rst
ixpk= 929, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1337,1338,
igr2=1334,1335,
&end
#
# 124 LYS HB- 88 PRO HD+ 3.50 (# 930:20 Unique 2.28, 3.45 A)
&rst
ixpk= 930, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1920,1921,
igr2=1334,1335,
&end
#
# 124 LYS HG+ 88 PRO HD+ 5.50 (# 931:20 Unique 2.13, 4.04 A)
&rst
ixpk= 931, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1923,1924,
igr2=1334,1335,
&end
#
# 92 ILE QD1 88 PRO HD+ 5.50 (# 932:20 Unique 2.24, 4.37 A)
&rst
ixpk= 932, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1407,1408,1409,
igr2=1334,1335,
&end
#
# 87 ARG HA 88 PRO HD- 4.50 (# 936:20 Unique 2.11, 2.65 A)
&rst
ixpk= 936, nxpk= 20, iat=1311, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1334,1335,
&end
#
# 88 PRO HG+ 88 PRO HD- 3.50 (# 938:20 Unique 2.29, 2.60 A)
&rst
ixpk= 938, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1337,1338,
igr2=1334,1335,
&end
#
# 124 LYS HG+ 88 PRO HD- 5.50 (# 939:20 Unique 2.13, 4.04 A)
&rst
ixpk= 939, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1923,1924,
igr2=1334,1335,
&end
#
# 92 ILE QD1 88 PRO HD- 5.50 (# 940:20 Unique 2.24, 4.37 A)
&rst
ixpk= 940, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1407,1408,1409,
igr2=1334,1335,
&end
#
# 8 PRO HA 8 PRO HD+ 5.50 (# 941:20 Unique 3.51, 3.86 A)
&rst
ixpk= 941, nxpk= 20, iat= 115, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 106, 107,
&end
#
# 0 AMB 20-2:942 0 AMB 20-1:942 3.50 (# 942:20 Double Ambig)
&rst
ixpk= 942, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 94, 95,1143, 77, 78,
igr2= 106, 107, 106, 107, 106, 107,
&end
#
# 8 PRO HB- 8 PRO HD+ 5.50 (# 943:20 Unique 2.80, 3.70 A)
&rst
ixpk= 943, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 112, 113,
igr2= 106, 107,
&end
#
# 38 PRO HD+ 37 ALA HA 3.50 (# 949:20 Unique 2.04, 2.37 A)
&rst
ixpk= 949, nxpk= 20, iat= -1, 582, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 591, 592,
&end
#
# 0 AMB 20-2:954 88 PRO HD- 4.50 (# 954:20 Single Ambig)
&rst
ixpk= 954, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1404,1405,1313,1314,
igr2=1334,1335,
&end
#
# 37 ALA HN 37 ALA HA 4.50 (# 957:20 Unique 2.81, 2.87 A)
&rst
ixpk= 957, nxpk= 20, iat= 580, 582, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 38 PRO HD- 37 ALA HA 3.50 (# 959:20 Unique 2.04, 2.37 A)
&rst
ixpk= 959, nxpk= 20, iat= -1, 582, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 591, 592,
&end
#
# 37 ALA MB 37 ALA HA 3.50 (# 962:20 Unique 2.43, 2.66 A)
&rst
ixpk= 962, nxpk= 20, iat= -1, 582, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 584, 585, 586,
&end
#
# 70 GLY HN 70 GLY HA- 3.50 (# 967:20 Unique 2.24, 2.54 A)
&rst
ixpk= 967, nxpk= 20, iat=1058, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1060,1061,
&end
#
# 70 GLY HN 70 GLY HA+ 3.50 (# 970:20 Unique 2.24, 2.54 A)
&rst
ixpk= 970, nxpk= 20, iat=1058, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1060,1061,
&end
#
# 20 GLY HN 20 GLY HA- 4.50 (# 976:20 Unique 2.29, 2.73 A)
&rst
ixpk= 976, nxpk= 20, iat= 309, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 311, 312,
&end
#
# 21 TYR HN 20 GLY HA- 5.50 (# 977:20 Unique 2.59, 3.22 A)
&rst
ixpk= 977, nxpk= 20, iat= 316, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 311, 312,
&end
#
# 20 GLY HN 20 GLY HA+ 4.50 (# 980:20 Unique 2.29, 2.73 A)
&rst
ixpk= 980, nxpk= 20, iat= 309, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 311, 312,
&end
#
# 21 TYR HN 20 GLY HA+ 5.50 (# 981:20 Unique 2.59, 3.22 A)
&rst
ixpk= 981, nxpk= 20, iat= 316, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 311, 312,
&end
#
# 31 GLY HN 31 GLY HA+ 4.50 (# 988:20 Unique 2.60, 2.81 A)
&rst
ixpk= 988, nxpk= 20, iat= 481, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 483, 484,
&end
#
# 32 TYR HN 31 GLY HA+ 5.50 (# 989:20 Unique 3.01, 3.39 A)
&rst
ixpk= 989, nxpk= 20, iat= 488, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 483, 484,
&end
#
# 29 GLY HN 31 GLY HA+ 5.50 (# 990:20 Unique 5.92, 6.25 A)
&rst
ixpk= 990, nxpk= 20, iat= 462, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 483, 484,
&end
#
# 31 GLY HN 31 GLY HA- 4.50 (# 997:20 Unique 2.60, 2.81 A)
&rst
ixpk= 997, nxpk= 20, iat= 481, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 483, 484,
&end
#
# 29 GLY HN 31 GLY HA- 5.50 (# 998:20 Unique 5.92, 6.25 A)
&rst
ixpk= 998, nxpk= 20, iat= 462, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 483, 484,
&end
#
# 32 TYR HN 31 GLY HA- 5.50 (# 1000:20 Unique 3.01, 3.39 A)
&rst
ixpk= 1000, nxpk= 20, iat= 488, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 483, 484,
&end
#
# 26 LEU HN 26 LEU HB+ 5.50 (# 1002:20 Unique 2.53, 2.80 A)
&rst
ixpk= 1002, nxpk= 20, iat= 403, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 407, 408,
&end
#
# 0 AMB 20-2:1004 0 AMB 20-1:1004 5.50 (# 1004:20 Double Ambig)
&rst
ixpk= 1004, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 410, 206, 207, 208,
igr2= 157, 158, 157, 158,
&end
#
# 0 AMB 20-2:1005 123 GLY HA- 5.50 (# 1005:20 Single Ambig)
&rst
ixpk= 1005, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1888,1454,1877,
igr2=1911,1912,
&end
#
# 123 GLY HN 123 GLY HA- 3.50 (# 1006:20 Unique 2.23, 2.49 A)
&rst
ixpk= 1006, nxpk= 20, iat=1909, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1911,1912,
&end
#
# 124 LYS HN 123 GLY HA- 4.50 (# 1007:20 Unique 2.51, 3.21 A)
&rst
ixpk= 1007, nxpk= 20, iat=1916, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1911,1912,
&end
#
# 0 AMB 20-2:1010 123 GLY HA- 4.50 (# 1010:20 Single Ambig)
&rst
ixpk= 1010, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1892,1893,1874,1875,1319,1320,
igr2=1911,1912,
&end
#
# 72 CYS HN 71 GLY HA+ 5.50 (# 1015:20 Unique 2.94, 3.35 A)
&rst
ixpk= 1015, nxpk= 20, iat=1072, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1067,1068,
&end
#
# 0 AMB 20-2:1018 0 AMB 20-1:1018 5.50 (# 1018:20 Double Ambig)
&rst
ixpk= 1018, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1888,1454,
igr2=1911,1912,1911,1912,
&end
#
# 123 GLY HN 123 GLY HA+ 3.50 (# 1019:20 Unique 2.23, 2.49 A)
&rst
ixpk= 1019, nxpk= 20, iat=1909, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1911,1912,
&end
#
# 124 LYS HN 123 GLY HA+ 5.50 (# 1020:20 Unique 2.51, 3.21 A)
&rst
ixpk= 1020, nxpk= 20, iat=1916, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1911,1912,
&end
#
# 0 AMB 20-2:1023 0 AMB 20-1:1023 5.50 (# 1023:20 Double Ambig)
&rst
ixpk= 1023, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=1892,1893,1874,1875,1319,1320,
igr2=1911,1912,1911,1912,1911,1912,
&end
#
# 26 LEU HN 26 LEU HB- 4.50 (# 1025:20 Unique 2.53, 2.80 A)
&rst
ixpk= 1025, nxpk= 20, iat= 403, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 407, 408,
&end
#
# 26 LEU HA 26 LEU HB- 4.50 (# 1026:20 Unique 2.48, 2.79 A)
&rst
ixpk= 1026, nxpk= 20, iat= 405, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 407, 408,
&end
#
# 26 LEU MDX 26 LEU HB- 4.50 (# 1028:20 Unique 2.38, 3.55 A)
&rst
ixpk= 1028, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 412, 413, 414, 416, 417, 418,
igr2= 407, 408,
&end
#
# 26 LEU HG 26 LEU HB- 4.50 (# 1029:20 Unique 2.32, 2.39 A)
&rst
ixpk= 1029, nxpk= 20, iat= 410, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 407, 408,
&end
#
# 26 LEU HA 26 LEU HB+ 5.50 (# 1030:20 Unique 2.48, 2.79 A)
&rst
ixpk= 1030, nxpk= 20, iat= 405, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 407, 408,
&end
#
# 26 LEU MDX 26 LEU HB+ 4.50 (# 1032:20 Unique 2.38, 3.55 A)
&rst
ixpk= 1032, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 412, 413, 414, 416, 417, 418,
igr2= 407, 408,
&end
#
# 26 LEU HG 26 LEU HB+ 5.50 (# 1033:20 Unique 2.32, 2.39 A)
&rst
ixpk= 1033, nxpk= 20, iat= 410, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 407, 408,
&end
#
# 11 GLY HN 11 GLY HA+ 4.50 (# 1034:20 Unique 2.23, 2.56 A)
&rst
ixpk= 1034, nxpk= 20, iat= 155, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 157, 158,
&end
#
# 0 AMB 20-2:1035 0 AMB 20-1:1035 5.50 (# 1035:20 Double Ambig)
&rst
ixpk= 1035, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 162,1413,
igr2= 157, 158, 157, 158,
&end
#
# 89 VAL MGX 11 GLY HA+ 5.50 (# 1037:20 Unique 2.11, 4.66 A)
&rst
ixpk= 1037, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1353,1354,1355,1357,1358,1359,
igr2= 157, 158,
&end
#
# 89 VAL MGY 11 GLY HA+ 4.50 (# 1038:20 Unique 2.11, 4.66 A)
&rst
ixpk= 1038, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1353,1354,1355,1357,1358,1359,
igr2= 157, 158,
&end
#
# 26 LEU MDX 11 GLY HA+ 3.50 (# 1039:20 Unique 2.21, 4.22 A)
&rst
ixpk= 1039, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 412, 413, 414, 416, 417, 418,
igr2= 157, 158,
&end
#
# 11 GLY HN 11 GLY HA- 4.50 (# 1040:20 Unique 2.23, 2.56 A)
&rst
ixpk= 1040, nxpk= 20, iat= 155, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 157, 158,
&end
#
# 89 VAL MGX 11 GLY HA- 5.50 (# 1042:20 Unique 2.11, 4.66 A)
&rst
ixpk= 1042, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1353,1354,1355,1357,1358,1359,
igr2= 157, 158,
&end
#
# 89 VAL MGY 11 GLY HA- 4.50 (# 1043:20 Unique 2.11, 4.66 A)
&rst
ixpk= 1043, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1353,1354,1355,1357,1358,1359,
igr2= 157, 158,
&end
#
# 0 AMB 20-2:1044 11 GLY HA- 7.00 (# 1044:20 Single Ambig)
&rst
ixpk= 1044, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
igr1= 410, 206, 207, 208,
igr2= 157, 158,
&end
#
# 0 AMB 20-2:1045 11 GLY HA- 5.50 (# 1045:20 Single Ambig)
&rst
ixpk= 1045, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 162,1413,
igr2= 157, 158,
&end
#
# 26 LEU MDX 11 GLY HA- 3.50 (# 1046:20 Unique 2.21, 4.22 A)
&rst
ixpk= 1046, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 412, 413, 414, 416, 417, 418,
igr2= 157, 158,
&end
#
# 101 GLY HN 101 GLY HA- 4.50 (# 1047:20 Unique 2.31, 2.66 A)
&rst
ixpk= 1047, nxpk= 20, iat=1534, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1536,1537,
&end
#
# 101 GLY HN 101 GLY HA+ 3.50 (# 1048:20 Unique 2.31, 2.66 A)
&rst
ixpk= 1048, nxpk= 20, iat=1534, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1536,1537,
&end
#
# 102 GLN HN 101 GLY HA+ 4.50 (# 1049:20 Unique 3.14, 3.39 A)
&rst
ixpk= 1049, nxpk= 20, iat=1541, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1536,1537,
&end
#
# 100 VAL MGY 101 GLY HA+ 5.50 (# 1050:20 Unique 3.30, 5.65 A)
&rst
ixpk= 1050, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1524,1525,1526,1528,1529,1530,
igr2=1536,1537,
&end
#
# 125 SER HB+ 87 ARG HD+ 7.00 (# 1051:20 Unique 6.39, 8.57 A)
&rst
ixpk= 1051, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1942,1943,
igr2=1319,1320,
&end
#
# 87 ARG HA 87 ARG HD+ 5.50 (# 1053:20 Unique 2.05, 2.93 A)
&rst
ixpk= 1053, nxpk= 20, iat=1311, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1319,1320,
&end
#
# 123 GLY HA- 87 ARG HD+ 5.50 (# 1054:20 Unique 5.94, 7.41 A)
&rst
ixpk= 1054, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1911,1912,
igr2=1319,1320,
&end
#
# 0 AMB 20-2:1055 0 AMB 20-1:1055 7.00 (# 1055:20 Double Ambig)
&rst
ixpk= 1055, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1=1866,1334,1335,
igr2=1319,1320,1319,1320,
&end
#
# 88 PRO HD- 87 ARG HD+ 5.50 (# 1056:20 Unique 3.50, 5.13 A)
&rst
ixpk= 1056, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1334,1335,
igr2=1319,1320,
&end
#
# 0 AMB 20-2:1057 0 AMB 20-1:1057 2.80 (# 1057:20 Double Ambig)
&rst
ixpk= 1057, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1404,1405,1313,1314,
igr2=1319,1320,1319,1320,
&end
#
# 124 LYS HB+ 87 ARG HD+ 4.50 (# 1058:20 Unique 3.17, 6.60 A)
&rst
ixpk= 1058, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1920,1921,
igr2=1319,1320,
&end
#
# 92 ILE QD1 87 ARG HD+ 4.50 (# 1059:20 Unique 2.08, 3.64 A)
&rst
ixpk= 1059, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1407,1408,1409,
igr2=1319,1320,
&end
#
# 87 ARG HA 87 ARG HD- 5.50 (# 1062:20 Unique 2.05, 2.93 A)
&rst
ixpk= 1062, nxpk= 20, iat=1311, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1319,1320,
&end
#
# 123 GLY HA- 87 ARG HD- 5.50 (# 1063:20 Unique 5.94, 7.41 A)
&rst
ixpk= 1063, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1911,1912,
igr2=1319,1320,
&end
#
# 0 AMB 20-2:1064 87 ARG HD- 7.00 (# 1064:20 Single Ambig)
&rst
ixpk= 1064, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1=1866,1334,1335,
igr2=1319,1320,
&end
#
# 125 SER HB+ 87 ARG HD- 7.00 (# 1065:20 Unique 6.39, 8.57 A)
&rst
ixpk= 1065, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1942,1943,
igr2=1319,1320,
&end
#
# 88 PRO HD- 87 ARG HD- 5.50 (# 1066:20 Unique 3.50, 5.13 A)
&rst
ixpk= 1066, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1334,1335,
igr2=1319,1320,
&end
#
# 0 AMB 20-2:1068 87 ARG HD- 3.50 (# 1068:20 Single Ambig)
&rst
ixpk= 1068, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1404,1405,1313,1314,
igr2=1319,1320,
&end
#
# 124 LYS HB+ 87 ARG HD- 5.50 (# 1069:20 Unique 3.17, 6.60 A)
&rst
ixpk= 1069, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1920,1921,
igr2=1319,1320,
&end
#
# 92 ILE QD1 87 ARG HD- 4.50 (# 1070:20 Unique 2.08, 3.64 A)
&rst
ixpk= 1070, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1407,1408,1409,
igr2=1319,1320,
&end
#
# 102 GLN HN 101 GLY HA- 5.50 (# 1071:20 Unique 3.14, 3.39 A)
&rst
ixpk= 1071, nxpk= 20, iat=1541, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1536,1537,
&end
#
# 100 VAL MGY 101 GLY HA- 5.50 (# 1074:20 Unique 3.30, 5.65 A)
&rst
ixpk= 1074, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1524,1525,1526,1528,1529,1530,
igr2=1536,1537,
&end
#
# 100 VAL HA 101 GLY HA+ 5.50 (# 1076:20 Unique 4.31, 4.40 A)
&rst
ixpk= 1076, nxpk= 20, iat=1520, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1536,1537,
&end
#
# 59 GLU HG+ 101 GLY HA+ 5.50 (# 1077:20 Unique 2.92, 4.43 A)
&rst
ixpk= 1077, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 871, 872,
igr2=1536,1537,
&end
#
# 0 AMB 20-2:1078 18 ARG HD- 3.50 (# 1078:20 Single Ambig)
&rst
ixpk= 1078, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 273, 274, 270, 271,
igr2= 276, 277,
&end
#
# 0 AMB 20-2:1079 18 ARG HD- 4.50 (# 1079:20 Single Ambig)
&rst
ixpk= 1079, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 270, 271, 233, 234, 235,
igr2= 276, 277,
&end
#
# 18 ARG HA 18 ARG HD+ 2.80 (# 1080:20 Unique 2.11, 4.05 A)
&rst
ixpk= 1080, nxpk= 20, iat= 268, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 276, 277,
&end
#
# 0 AMB 20-2:1082 0 AMB 20-1:1082 4.50 (# 1082:20 Double Ambig)
&rst
ixpk= 1082, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 273, 274, 270, 271,
igr2= 276, 277, 276, 277,
&end
#
# 0 AMB 20-2:1083 0 AMB 20-1:1083 4.50 (# 1083:20 Double Ambig)
&rst
ixpk= 1083, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 270, 271, 233, 234, 235,
igr2= 276, 277, 276, 277,
&end
#
# 29 GLY HN 29 GLY HA+ 5.50 (# 1089:20 Unique 2.71, 2.81 A)
&rst
ixpk= 1089, nxpk= 20, iat= 462, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 464, 465,
&end
#
# 0 AMB 20-2:1090 0 AMB 20-1:1090 7.00 (# 1090:20 Double Ambig)
&rst
ixpk= 1090, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.11, r4=11.86,
igr1= 984, 985, 129, 130,
igr2= 464, 465, 464, 465,
&end
#
# 111 ARG HB- 111 ARG HD+ 4.50 (# 1092:20 Unique 2.32, 3.07 A)
&rst
ixpk= 1092, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1701,1702,
igr2=1707,1708,
&end
#
# 0 AMB 20-2:1095 111 ARG HD- 2.80 (# 1095:20 Single Ambig)
&rst
ixpk= 1095, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1584,1585,1750,1751,
igr2=1707,1708,
&end
#
# 111 ARG HB- 111 ARG HD- 4.50 (# 1098:20 Unique 2.32, 3.07 A)
&rst
ixpk= 1098, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1701,1702,
igr2=1707,1708,
&end
#
# 75 ARG HB- 75 ARG HD- 3.50 (# 1099:20 Unique 2.38, 3.36 A)
&rst
ixpk= 1099, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1119,1120,
igr2=1125,1126,
&end
#
# 0 AMB 20-2:1101 0 AMB 20-1:1101 2.80 (# 1101:20 Double Ambig)
&rst
ixpk= 1101, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 268,1117,
igr2= 276, 277,1125,1126,
&end
#
# 0 AMB 20-2:1104 0 AMB 20-1:1104 4.50 (# 1104:20 Double Ambig)
&rst
ixpk= 1104, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 273, 274,1122,1123,
igr2= 276, 277,1125,1126,
&end
#
# 74 TYR HD 75 ARG HD+ 5.50 (# 1105:20 Unique 5.24, 7.86 A)
&rst
ixpk= 1105, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1102,1111,
igr2=1125,1126,
&end
#
# 75 ARG HB- 75 ARG HD+ 3.50 (# 1106:20 Unique 2.38, 3.36 A)
&rst
ixpk= 1106, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1119,1120,
igr2=1125,1126,
&end
#
# 76 VAL MGX 75 ARG HD- 5.50 (# 1109:20 Unique 3.40, 8.46 A)
&rst
ixpk= 1109, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1145,1146,1147,1149,1150,1151,
igr2=1125,1126,
&end
#
# 75 ARG HG- 75 ARG HD- 3.50 (# 1110:20 Unique 2.31, 2.66 A)
&rst
ixpk= 1110, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1122,1123,
igr2=1125,1126,
&end
#
# 62 ARG HN 62 ARG HD- 7.00 (# 1114:20 Unique 4.23, 5.32 A)
&rst
ixpk= 1114, nxpk= 20, iat= 917, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 927, 928,
&end
#
# 62 ARG HA 62 ARG HD- 5.50 (# 1115:20 Unique 4.19, 4.58 A)
&rst
ixpk= 1115, nxpk= 20, iat= 919, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 927, 928,
&end
#
# 62 ARG HB- 62 ARG HD- 4.50 (# 1117:20 Unique 2.36, 3.20 A)
&rst
ixpk= 1117, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 921, 922,
igr2= 927, 928,
&end
#
# 0 AMB 20-2:1118 62 ARG HD- 2.80 (# 1118:20 Single Ambig)
&rst
ixpk= 1118, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 921, 922, 924, 925,
igr2= 927, 928,
&end
#
# 62 ARG HG+ 62 ARG HD- 2.80 (# 1119:20 Unique 2.37, 2.63 A)
&rst
ixpk= 1119, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 924, 925,
igr2= 927, 928,
&end
#
# 100 VAL MGX 62 ARG HD- 4.50 (# 1120:20 Unique 3.84, 6.37 A)
&rst
ixpk= 1120, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1524,1525,1526,1528,1529,1530,
igr2= 927, 928,
&end
#
# 28 ILE QD1 62 ARG HD- 4.50 (# 1121:20 Unique 2.36, 3.56 A)
&rst
ixpk= 1121, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 456, 457, 458,
igr2= 927, 928,
&end
#
# 62 ARG HA 62 ARG HD+ 5.50 (# 1122:20 Unique 4.19, 4.58 A)
&rst
ixpk= 1122, nxpk= 20, iat= 919, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 927, 928,
&end
#
# 62 ARG HB- 62 ARG HD+ 4.50 (# 1125:20 Unique 2.36, 3.20 A)
&rst
ixpk= 1125, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 921, 922,
igr2= 927, 928,
&end
#
# 0 AMB 20-2:1126 0 AMB 20-1:1126 2.80 (# 1126:20 Double Ambig)
&rst
ixpk= 1126, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 921, 922, 924, 925,
igr2= 927, 928, 927, 928,
&end
#
# 62 ARG HG+ 62 ARG HD+ 3.50 (# 1127:20 Unique 2.37, 2.63 A)
&rst
ixpk= 1127, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 924, 925,
igr2= 927, 928,
&end
#
# 0 AMB 20-2:1128 0 AMB 20-1:1128 5.50 (# 1128:20 Double Ambig)
&rst
ixpk= 1128, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.80, r4=10.55,
igr1=1524,1525,1526,1528,1529,1530, 535, 536,
igr2= 927, 928, 927, 928,
&end
#
# 28 ILE QD1 62 ARG HD+ 4.50 (# 1129:20 Unique 2.36, 3.56 A)
&rst
ixpk= 1129, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 456, 457, 458,
igr2= 927, 928,
&end
#
# 66 GLU HG+ 64 ARG HD+ 7.00 (# 1134:20 Unique 2.82, 5.21 A)
&rst
ixpk= 1134, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1006,1007,
igr2= 966, 967,
&end
#
# 0 AMB 20-2:1135 0 AMB 20-1:1135 5.50 (# 1135:20 Double Ambig)
&rst
ixpk= 1135, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 956, 509,
igr2= 966, 967, 966, 967,
&end
#
# 0 AMB 20-2:1136 0 AMB 20-1:1136 5.50 (# 1136:20 Double Ambig)
&rst
ixpk= 1136, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 498, 503, 496, 505,
igr2= 966, 967, 966, 967,
&end
#
# 64 ARG HG- 64 ARG HD+ 3.50 (# 1137:20 Unique 2.30, 2.64 A)
&rst
ixpk= 1137, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 963, 964,
igr2= 966, 967,
&end
#
# 64 ARG HG- 64 ARG HD- 4.50 (# 1139:20 Unique 2.30, 2.64 A)
&rst
ixpk= 1139, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 963, 964,
igr2= 966, 967,
&end
#
# 0 AMB 20-2:1140 64 ARG HD- 5.50 (# 1140:20 Single Ambig)
&rst
ixpk= 1140, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 956, 509,
igr2= 966, 967,
&end
#
# 0 AMB 20-2:1141 64 ARG HD- 5.50 (# 1141:20 Single Ambig)
&rst
ixpk= 1141, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 498, 503, 496, 505,
igr2= 966, 967,
&end
#
# 64 ARG HA 64 ARG HD- 4.50 (# 1142:20 Unique 2.11, 4.37 A)
&rst
ixpk= 1142, nxpk= 20, iat= 958, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 966, 967,
&end
#
# 9 LYS HN 12 ASP HB- 5.50 (# 1143:20 Unique 1.91, 2.49 A)
&rst
ixpk= 1143, nxpk= 20, iat= 119, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 166, 167,
&end
#
# 12 ASP HN 12 ASP HB- 4.50 (# 1144:20 Unique 2.32, 2.61 A)
&rst
ixpk= 1144, nxpk= 20, iat= 162, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 166, 167,
&end
#
# 12 ASP HA 12 ASP HB- 4.50 (# 1145:20 Unique 2.54, 2.81 A)
&rst
ixpk= 1145, nxpk= 20, iat= 164, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 166, 167,
&end
#
# 76 VAL MGY 12 ASP HB- 4.50 (# 1146:20 Unique 2.74, 5.48 A)
&rst
ixpk= 1146, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1145,1146,1147,1149,1150,1151,
igr2= 166, 167,
&end
#
# 13 LEU HN 12 ASP HB+ 7.00 (# 1147:20 Unique 3.09, 3.67 A)
&rst
ixpk= 1147, nxpk= 20, iat= 174, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 166, 167,
&end
#
# 12 ASP HN 12 ASP HB+ 4.50 (# 1148:20 Unique 2.32, 2.61 A)
&rst
ixpk= 1148, nxpk= 20, iat= 162, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 166, 167,
&end
#
# 12 ASP HA 12 ASP HB+ 4.50 (# 1149:20 Unique 2.54, 2.81 A)
&rst
ixpk= 1149, nxpk= 20, iat= 164, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 166, 167,
&end
#
# 76 VAL MGY 12 ASP HB+ 3.50 (# 1152:20 Unique 2.74, 5.48 A)
&rst
ixpk= 1152, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1145,1146,1147,1149,1150,1151,
igr2= 166, 167,
&end
#
# 64 ARG HA 64 ARG HD+ 4.50 (# 1153:20 Unique 2.11, 4.37 A)
&rst
ixpk= 1153, nxpk= 20, iat= 958, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 966, 967,
&end
#
# 0 AMB 20-2:1159 0 AMB 20-1:1159 2.80 (# 1159:20 Double Ambig)
&rst
ixpk= 1159, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 123, 124, 129, 130,
igr2= 132, 133, 132, 133,
&end
#
# 9 LYS HG+ 9 LYS HE+ 3.50 (# 1160:20 Unique 2.39, 3.10 A)
&rst
ixpk= 1160, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 126, 127,
igr2= 132, 133,
&end
#
# 59 GLU HG+ 103 LYS HE+ 4.50 (# 1171:20 Unique 3.10, 5.67 A)
&rst
ixpk= 1171, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 871, 872,
igr2=1571,1572,
&end
#
# 103 LYS HG+ 103 LYS HE+ 4.50 (# 1172:20 Unique 2.43, 3.38 A)
&rst
ixpk= 1172, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1565,1566,
igr2=1571,1572,
&end
#
# 103 LYS HD+ 103 LYS HE+ 2.80 (# 1179:20 Unique 2.30, 2.65 A)
&rst
ixpk= 1179, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1568,1569,
igr2=1571,1572,
&end
#
# 0 AMB 20-2:1183 54 LEU HB- 5.50 (# 1183:20 Single Ambig)
&rst
ixpk= 1183, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 799, 818,
igr2= 803, 804,
&end
#
# 54 LEU HA 54 LEU HB- 3.50 (# 1186:20 Unique 2.40, 2.80 A)
&rst
ixpk= 1186, nxpk= 20, iat= 801, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 803, 804,
&end
#
# 54 LEU MDX 54 LEU HB- 2.80 (# 1187:20 Unique 2.33, 3.40 A)
&rst
ixpk= 1187, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 808, 809, 810, 812, 813, 814,
igr2= 803, 804,
&end
#
# 54 LEU MDX 54 LEU HB+ 3.50 (# 1190:20 Unique 2.33, 3.40 A)
&rst
ixpk= 1190, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 808, 809, 810, 812, 813, 814,
igr2= 803, 804,
&end
#
# 0 AMB 20-2:1191 0 AMB 20-1:1191 5.50 (# 1191:20 Double Ambig)
&rst
ixpk= 1191, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 799, 818,
igr2= 803, 804, 803, 804,
&end
#
# 54 LEU HA 54 LEU HB+ 4.50 (# 1192:20 Unique 2.40, 2.80 A)
&rst
ixpk= 1192, nxpk= 20, iat= 801, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 803, 804,
&end
#
# 57 SER HA 105 LYS HE+ 2.80 (# 1200:20 Unique 1.92, 3.02 A)
&rst
ixpk= 1200, nxpk= 20, iat= 845, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1610,1611,
&end
#
# 0 AMB 20-2:1202 0 AMB 20-1:1202 2.80 (# 1202:20 Double Ambig)
&rst
ixpk= 1202, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1601,1602,1607,1608,
igr2=1610,1611,1610,1611,
&end
#
# 105 LYS HG+ 105 LYS HE+ 2.80 (# 1203:20 Unique 2.38, 3.21 A)
&rst
ixpk= 1203, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1604,1605,
igr2=1610,1611,
&end
#
# 105 LYS HG- 105 LYS HE+ 4.50 (# 1204:20 Unique 2.38, 3.21 A)
&rst
ixpk= 1204, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1604,1605,
igr2=1610,1611,
&end
#
# 0 AMB 20-2:1207 0 AMB 20-1:1207 3.50 (# 1207:20 Double Ambig)
&rst
ixpk= 1207, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1568,1569,1565,1566,
igr2=1571,1572,1571,1572,
&end
#
# 32 TYR HN 32 TYR HB- 4.50 (# 1208:20 Unique 2.68, 3.27 A)
&rst
ixpk= 1208, nxpk= 20, iat= 488, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 492, 493,
&end
#
# 32 TYR HD 32 TYR HB- 4.50 (# 1209:20 Unique 2.39, 3.08 A)
&rst
ixpk= 1209, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 496, 505,
igr2= 492, 493,
&end
#
# 97 LYS HD+ 97 LYS HE- 2.80 (# 1210:20 Unique 2.44, 2.76 A)
&rst
ixpk= 1210, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1474,1475,
igr2=1477,1478,
&end
#
# 93 ILE QG2 97 LYS HE- 5.50 (# 1211:20 Unique 2.13, 3.81 A)
&rst
ixpk= 1211, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1419,1420,1421,
igr2=1477,1478,
&end
#
# 0 AMB 20-2:1212 0 AMB 20-1:1212 4.50 (# 1212:20 Double Ambig)
&rst
ixpk= 1212, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 449, 450, 451,1426,1427,1428, 538, 539, 540, 515,
516, 517, 519, 520, 521,
igr2=1477,1478, 492, 493,
&end
#
# 28 ILE QD1 0 AMB 20-1:1213 4.50 (# 1213:20 Single Ambig)
&rst
ixpk= 1213, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 456, 457, 458,
igr2= 492, 493,1477,1478,
&end
#
# 33 VAL HN 32 TYR HB- 5.50 (# 1214:20 Unique 2.59, 3.29 A)
&rst
ixpk= 1214, nxpk= 20, iat= 509, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 492, 493,
&end
#
# 97 LYS HB- 97 LYS HE- 4.50 (# 1215:20 Unique 2.10, 3.27 A)
&rst
ixpk= 1215, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1468,1469,
igr2=1477,1478,
&end
#
# 32 TYR HA 32 TYR HB- 4.50 (# 1217:20 Unique 2.47, 2.78 A)
&rst
ixpk= 1217, nxpk= 20, iat= 490, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 492, 493,
&end
#
# 0 AMB 20-2:1220 0 AMB 20-1:1220 2.80 (# 1220:20 Double Ambig)
&rst
ixpk= 1220, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,
igr1= 899, 900,1920,1921, 905, 906, 905, 906,
igr2= 908, 909,1929,1930, 908, 909, 908, 909,
&end
#
# 0 AMB 20-2:1221 0 AMB 20-1:1221 2.80 (# 1221:20 Double Ambig)
&rst
ixpk= 1221, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=1471,1472, 902, 903, 806,
igr2=1477,1478, 908, 909, 908, 909,
&end
#
# 0 AMB 20-2:1224 0 AMB 20-1:1224 3.50 (# 1224:20 Double Ambig)
&rst
ixpk= 1224, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.04, r4= 7.79,
igr1=1384,1385,1386,1388,1389,1390,1923,1924, 584, 585,
586,
igr2=1929,1930,1929,1930, 908, 909,
&end
#
# 0 AMB 20-2:1227 0 AMB 20-1:1227 2.80 (# 1227:20 Double Ambig)
&rst
ixpk= 1227, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 902, 903,1926,1927,
igr2= 908, 909,1929,1930,
&end
#
# 97 LYS HD+ 97 LYS HE+ 3.50 (# 1230:20 Unique 2.44, 2.76 A)
&rst
ixpk= 1230, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1474,1475,
igr2=1477,1478,
&end
#
# 97 LYS HB- 97 LYS HE+ 5.50 (# 1233:20 Unique 2.10, 3.27 A)
&rst
ixpk= 1233, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1468,1469,
igr2=1477,1478,
&end
#
# 93 ILE QG2 97 LYS HE+ 4.50 (# 1234:20 Unique 2.13, 3.81 A)
&rst
ixpk= 1234, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1419,1420,1421,
igr2=1477,1478,
&end
#
# 0 AMB 20-2:1235 0 AMB 20-1:1235 5.50 (# 1235:20 Double Ambig)
&rst
ixpk= 1235, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.69, r4=11.44,
igr1= 449, 450, 451,1426,1427,1428, 538, 539, 540,
igr2=1477,1478,1477,1478,1477,1478,
&end
#
# 28 ILE QD1 97 LYS HE+ 5.50 (# 1236:20 Unique 3.34, 5.28 A)
&rst
ixpk= 1236, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 456, 457, 458,
igr2=1477,1478,
&end
#
# 0 AMB 20-2:1237 0 AMB 20-1:1237 3.50 (# 1237:20 Double Ambig)
&rst
ixpk= 1237, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1102,1111, 496, 505,
igr2=1098,1099, 492, 493,
&end
#
# 28 ILE QD1 32 TYR HB+ 4.50 (# 1239:20 Unique 2.44, 3.82 A)
&rst
ixpk= 1239, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 456, 457, 458,
igr2= 492, 493,
&end
#
# 33 VAL HN 32 TYR HB+ 5.50 (# 1240:20 Unique 2.59, 3.29 A)
&rst
ixpk= 1240, nxpk= 20, iat= 509, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 492, 493,
&end
#
# 32 TYR HN 32 TYR HB+ 5.50 (# 1241:20 Unique 2.68, 3.27 A)
&rst
ixpk= 1241, nxpk= 20, iat= 488, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 492, 493,
&end
#
# 32 TYR HA 32 TYR HB+ 5.50 (# 1242:20 Unique 2.47, 2.78 A)
&rst
ixpk= 1242, nxpk= 20, iat= 490, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 492, 493,
&end
#
# 0 AMB 20-2:1243 0 AMB 20-1:1243 5.50 (# 1243:20 Double Ambig)
&rst
ixpk= 1243, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 453, 454, 924, 925,
igr2= 492, 493, 492, 493,
&end
#
# 120 LEU HN 120 LEU HB- 4.50 (# 1245:20 Unique 2.26, 3.01 A)
&rst
ixpk= 1245, nxpk= 20, iat=1845, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1849,1850,
&end
#
# 0 AMB 20-2:1246 120 LEU HB- 4.50 (# 1246:20 Single Ambig)
&rst
ixpk= 1246, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1800,1847,
igr2=1849,1850,
&end
#
# 0 AMB 20-2:1247 120 LEU HB- 4.50 (# 1247:20 Single Ambig)
&rst
ixpk= 1247, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1852, 412, 413, 414, 416, 417, 418,1458,1459,1460,
igr2=1849,1850,
&end
#
# 120 LEU MDY 120 LEU HB- 4.50 (# 1249:20 Unique 2.28, 3.29 A)
&rst
ixpk= 1249, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1854,1855,1856,1858,1859,1860,
igr2=1849,1850,
&end
#
# 120 LEU HN 120 LEU HB+ 4.50 (# 1252:20 Unique 2.26, 3.01 A)
&rst
ixpk= 1252, nxpk= 20, iat=1845, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1849,1850,
&end
#
# 0 AMB 20-2:1253 0 AMB 20-1:1253 4.50 (# 1253:20 Double Ambig)
&rst
ixpk= 1253, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1800,1847,
igr2=1849,1850,1849,1850,
&end
#
# 0 AMB 20-2:1255 0 AMB 20-1:1255 4.50 (# 1255:20 Double Ambig)
&rst
ixpk= 1255, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1852, 412, 413, 414, 416, 417, 418,1458,1459,1460,
igr2=1849,1850,1849,1850,1849,1850,
&end
#
# 0 AMB 20-2:1256 0 AMB 20-1:1256 4.50 (# 1256:20 Double Ambig)
&rst
ixpk= 1256, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1400,1401,1402, 412, 413, 414, 416, 417, 418,
igr2=1849,1850,1849,1850,
&end
#
# 0 AMB 20-2:1257 0 AMB 20-1:1257 4.50 (# 1257:20 Double Ambig)
&rst
ixpk= 1257, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.84, r4= 8.59,
igr1=1854,1855,1856,1858,1859,1860, 410,
igr2=1849,1850,1849,1850,
&end
#
# 120 LEU MDY 120 LEU HB+ 4.50 (# 1258:20 Unique 2.28, 3.29 A)
&rst
ixpk= 1258, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1854,1855,1856,1858,1859,1860,
igr2=1849,1850,
&end
#
# 75 ARG HN 74 TYR HB- 5.50 (# 1264:20 Unique 2.43, 3.28 A)
&rst
ixpk= 1264, nxpk= 20, iat=1115, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1098,1099,
&end
#
# 74 TYR HD 74 TYR HB- 3.50 (# 1265:20 Unique 2.33, 3.08 A)
&rst
ixpk= 1265, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1102,1111,
igr2=1098,1099,
&end
#
# 74 TYR HA 74 TYR HB- 4.50 (# 1266:20 Unique 2.29, 2.44 A)
&rst
ixpk= 1266, nxpk= 20, iat=1096, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1098,1099,
&end
#
# 16 ILE HA 74 TYR HB- 5.50 (# 1267:20 Unique 3.07, 3.53 A)
&rst
ixpk= 1267, nxpk= 20, iat= 229, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1098,1099,
&end
#
# 0 AMB 20-2:1268 74 TYR HB- 3.50 (# 1268:20 Single Ambig)
&rst
ixpk= 1268, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 199, 200, 201,1048,1049,1050,1052,1053,1054,
igr2=1098,1099,
&end
#
# 74 TYR HA 74 TYR HB+ 4.50 (# 1269:20 Unique 2.29, 2.44 A)
&rst
ixpk= 1269, nxpk= 20, iat=1096, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1098,1099,
&end
#
# 0 AMB 20-2:1270 0 AMB 20-1:1270 3.50 (# 1270:20 Double Ambig)
&rst
ixpk= 1270, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 199, 200, 201,1048,1049,1050,1052,1053,1054,
igr2=1098,1099,1098,1099,
&end
#
# 16 ILE QG2 74 TYR HB+ 5.50 (# 1271:20 Unique 2.29, 4.30 A)
&rst
ixpk= 1271, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 233, 234, 235,
igr2=1098,1099,
&end
#
# 36 LEU HN 36 LEU HB- 5.50 (# 1272:20 Unique 2.45, 2.83 A)
&rst
ixpk= 1272, nxpk= 20, iat= 561, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 565, 566,
&end
#
# 0 AMB 20-2:1275 120 LEU HB- 3.50 (# 1275:20 Single Ambig)
&rst
ixpk= 1275, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.43, r4= 6.18,
igr1=1854,1855,1856,1858,1859,1860, 410,
igr2=1849,1850,
&end
#
# 66 GLU HN 65 LEU HB- 5.50 (# 1276:20 Unique 2.44, 3.24 A)
&rst
ixpk= 1276, nxpk= 20, iat= 999, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 984, 985,
&end
#
# 65 LEU HA 65 LEU HB- 4.50 (# 1277:20 Unique 2.45, 2.77 A)
&rst
ixpk= 1277, nxpk= 20, iat= 982, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 984, 985,
&end
#
# 33 VAL MGX 65 LEU HB+ 4.50 (# 1281:20 Unique 2.28, 4.59 A)
&rst
ixpk= 1281, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 515, 516, 517, 519, 520, 521,
igr2= 984, 985,
&end
#
# 65 LEU HA 65 LEU HB+ 4.50 (# 1282:20 Unique 2.45, 2.77 A)
&rst
ixpk= 1282, nxpk= 20, iat= 982, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 984, 985,
&end
#
# 0 AMB 20-2:1284 0 AMB 20-1:1284 4.50 (# 1284:20 Double Ambig)
&rst
ixpk= 1284, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1= 515, 516, 517, 519, 520, 521, 989, 990, 991, 993,
994, 995,
igr2= 984, 985, 984, 985,
&end
#
# 36 LEU HA 36 LEU HB+ 5.50 (# 1285:20 Unique 2.32, 2.74 A)
&rst
ixpk= 1285, nxpk= 20, iat= 563, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 565, 566,
&end
#
# 36 LEU HG 36 LEU HB+ 5.50 (# 1287:20 Unique 2.44, 2.77 A)
&rst
ixpk= 1287, nxpk= 20, iat= 568, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 565, 566,
&end
#
# 36 LEU MDY 36 LEU HB+ 4.50 (# 1288:20 Unique 2.40, 3.33 A)
&rst
ixpk= 1288, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 570, 571, 572, 574, 575, 576,
igr2= 565, 566,
&end
#
# 36 LEU HN 36 LEU HB+ 5.50 (# 1289:20 Unique 2.45, 2.83 A)
&rst
ixpk= 1289, nxpk= 20, iat= 561, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 565, 566,
&end
#
# 36 LEU MDX 36 LEU HB+ 4.50 (# 1291:20 Unique 2.40, 3.33 A)
&rst
ixpk= 1291, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 570, 571, 572, 574, 575, 576,
igr2= 565, 566,
&end
#
# 65 LEU HN 65 LEU HB- 4.50 (# 1293:20 Unique 2.43, 2.52 A)
&rst
ixpk= 1293, nxpk= 20, iat= 980, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 984, 985,
&end
#
# 0 AMB 20-2:1294 65 LEU HB- 4.50 (# 1294:20 Single Ambig)
&rst
ixpk= 1294, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 515, 516, 517, 519, 520, 521, 989, 990, 991, 993,
994, 995,
igr2= 984, 985,
&end
#
# 80 LEU HN 80 LEU HB+ 4.50 (# 1295:20 Unique 2.33, 2.60 A)
&rst
ixpk= 1295, nxpk= 20, iat=1194, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1198,1199,
&end
#
# 84 TYR HE 80 LEU HB+ 4.50 (# 1296:20 Unique 2.33, 6.83 A)
&rst
ixpk= 1296, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1267,1272,
igr2=1198,1199,
&end
#
# 80 LEU HA 80 LEU HB+ 3.50 (# 1299:20 Unique 2.43, 2.77 A)
&rst
ixpk= 1299, nxpk= 20, iat=1196, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1198,1199,
&end
#
# 80 LEU HG 80 LEU HB+ 3.50 (# 1300:20 Unique 2.44, 2.77 A)
&rst
ixpk= 1300, nxpk= 20, iat=1201, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1198,1199,
&end
#
# 0 AMB 20-2:1301 0 AMB 20-1:1301 2.80 (# 1301:20 Double Ambig)
&rst
ixpk= 1301, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1=1203,1204,1205,1207,1208,1209,1203,1204,1205,1207,
1208,1209,
igr2=1198,1199,1198,1199,
&end
#
# 66 GLU HN 65 LEU HB+ 7.00 (# 1303:20 Unique 2.44, 3.24 A)
&rst
ixpk= 1303, nxpk= 20, iat= 999, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 984, 985,
&end
#
# 65 LEU HN 65 LEU HB+ 5.50 (# 1304:20 Unique 2.43, 2.52 A)
&rst
ixpk= 1304, nxpk= 20, iat= 980, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 984, 985,
&end
#
# 85 GLN HN 84 TYR HB- 4.50 (# 1305:20 Unique 1.79, 3.03 A)
&rst
ixpk= 1305, nxpk= 20, iat=1278, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1261,1262,
&end
#
# 84 TYR HN 84 TYR HB- 4.50 (# 1306:20 Unique 2.34, 3.15 A)
&rst
ixpk= 1306, nxpk= 20, iat=1257, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1261,1262,
&end
#
# 84 TYR HA 84 TYR HB- 3.50 (# 1308:20 Unique 2.36, 2.76 A)
&rst
ixpk= 1308, nxpk= 20, iat=1259, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1261,1262,
&end
#
# 84 TYR HE 84 TYR HB- 4.50 (# 1310:20 Unique 4.60, 5.09 A)
&rst
ixpk= 1310, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1267,1272,
igr2=1261,1262,
&end
#
# 13 LEU HA 13 LEU HB- 5.50 (# 1311:20 Unique 2.31, 2.55 A)
&rst
ixpk= 1311, nxpk= 20, iat= 176, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 178, 179,
&end
#
# 13 LEU HN 13 LEU HB- 5.50 (# 1312:20 Unique 2.32, 3.17 A)
&rst
ixpk= 1312, nxpk= 20, iat= 174, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 178, 179,
&end
#
# 13 LEU MDY 13 LEU HB- 4.50 (# 1313:20 Unique 2.33, 3.29 A)
&rst
ixpk= 1313, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 183, 184, 185, 187, 188, 189,
igr2= 178, 179,
&end
#
# 0 AMB 20-2:1314 13 LEU HB- 7.00 (# 1314:20 Single Ambig)
&rst
ixpk= 1314, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.53, r4=12.28,
igr1=1353,1354,1355,1357,1358,1359, 109, 110, 535, 536,
igr2= 178, 179,
&end
#
# 0 AMB 20-2:1316 0 AMB 20-1:1316 4.50 (# 1316:20 Double Ambig)
&rst
ixpk= 1316, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1267,1272,1896,1905,
igr2=1261,1262,1261,1262,
&end
#
# 84 TYR HA 84 TYR HB+ 4.50 (# 1318:20 Unique 2.36, 2.76 A)
&rst
ixpk= 1318, nxpk= 20, iat=1259, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1261,1262,
&end
#
# 85 GLN HN 84 TYR HB+ 5.50 (# 1320:20 Unique 1.79, 3.03 A)
&rst
ixpk= 1320, nxpk= 20, iat=1278, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1261,1262,
&end
#
# 84 TYR HN 84 TYR HB+ 4.50 (# 1321:20 Unique 2.34, 3.15 A)
&rst
ixpk= 1321, nxpk= 20, iat=1257, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1261,1262,
&end
#
# 13 LEU HN 13 LEU HB+ 7.00 (# 1322:20 Unique 2.32, 3.17 A)
&rst
ixpk= 1322, nxpk= 20, iat= 174, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 178, 179,
&end
#
# 13 LEU MDY 13 LEU HB+ 4.50 (# 1323:20 Unique 2.33, 3.29 A)
&rst
ixpk= 1323, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 183, 184, 185, 187, 188, 189,
igr2= 178, 179,
&end
#
# 24 TRP HZ3 13 LEU HB+ 5.50 (# 1324:20 Unique 4.12, 8.15 A)
&rst
ixpk= 1324, nxpk= 20, iat= 386, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 178, 179,
&end
#
# 0 AMB 20-2:1325 0 AMB 20-1:1325 7.00 (# 1325:20 Double Ambig)
&rst
ixpk= 1325, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
igr1= 377,1790,
igr2= 178, 179, 178, 179,
&end
#
# 13 LEU HA 13 LEU HB+ 5.50 (# 1326:20 Unique 2.31, 2.55 A)
&rst
ixpk= 1326, nxpk= 20, iat= 176, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 178, 179,
&end
#
# 26 LEU HB- 34 ILE HB 5.50 (# 1329:20 Unique 2.52, 3.79 A)
&rst
ixpk= 1329, nxpk= 20, iat= -1, 529, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 407, 408,
&end
#
# 34 ILE HG1+ 34 ILE HB 4.50 (# 1330:20 Unique 2.49, 2.79 A)
&rst
ixpk= 1330, nxpk= 20, iat= -1, 529, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 535, 536,
&end
#
# 34 ILE HG1- 34 ILE HB 3.50 (# 1332:20 Unique 2.49, 2.79 A)
&rst
ixpk= 1332, nxpk= 20, iat= -1, 529, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 535, 536,
&end
#
# 34 ILE QG2 34 ILE HB 3.50 (# 1333:20 Unique 2.43, 2.67 A)
&rst
ixpk= 1333, nxpk= 20, iat= -1, 529, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 531, 532, 533,
&end
#
# 0 AMB 20-2:1334 34 ILE HB 2.80 (# 1334:20 Single Ambig)
&rst
ixpk= 1334, nxpk= 20, iat= -1, 529, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 538, 539, 540, 449, 450, 451,
&end
#
# 0 AMB 20-2:1335 34 ILE HB 5.50 (# 1335:20 Single Ambig)
&rst
ixpk= 1335, nxpk= 20, iat= -1, 529, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 453, 454, 410,
&end
#
# 34 ILE HN 34 ILE HB 4.50 (# 1336:20 Unique 2.52, 2.59 A)
&rst
ixpk= 1336, nxpk= 20, iat= 525, 529, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 34 ILE HA 34 ILE HB 4.50 (# 1337:20 Unique 3.02, 3.03 A)
&rst
ixpk= 1337, nxpk= 20, iat= 527, 529, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 68 VAL HN 67 ASP HB+ 4.50 (# 1339:20 Unique 2.27, 3.20 A)
&rst
ixpk= 1339, nxpk= 20, iat=1026, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1018,1019,
&end
#
# 0 AMB 20-2:1344 0 AMB 20-1:1344 4.50 (# 1344:20 Double Ambig)
&rst
ixpk= 1344, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
1037,1038,
igr2=1018,1019,1018,1019,
&end
#
# 67 ASP HN 67 ASP HB- 2.80 (# 1345:20 Unique 2.45, 2.60 A)
&rst
ixpk= 1345, nxpk= 20, iat=1014, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1018,1019,
&end
#
# 64 ARG HB- 67 ASP HB+ 4.50 (# 1346:20 Unique 2.14, 3.12 A)
&rst
ixpk= 1346, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 960, 961,
igr2=1018,1019,
&end
#
# 68 VAL HN 67 ASP HB- 4.50 (# 1347:20 Unique 2.27, 3.20 A)
&rst
ixpk= 1347, nxpk= 20, iat=1026, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1018,1019,
&end
#
# 0 AMB 20-2:1348 67 ASP HB- 5.50 (# 1348:20 Single Ambig)
&rst
ixpk= 1348, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 960, 961, 960, 961,
igr2=1018,1019,
&end
#
# 32 TYR HD 30 ASP HB+ 4.50 (# 1353:20 Unique 4.86, 8.72 A)
&rst
ixpk= 1353, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 496, 505,
igr2= 473, 474,
&end
#
# 30 ASP HA 30 ASP HB+ 3.50 (# 1355:20 Unique 2.27, 2.72 A)
&rst
ixpk= 1355, nxpk= 20, iat= 471, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 473, 474,
&end
#
# 81 ASP HA 81 ASP HB- 4.50 (# 1359:20 Unique 2.25, 2.63 A)
&rst
ixpk= 1359, nxpk= 20, iat=1215, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1217,1218,
&end
#
# 81 ASP HN 81 ASP HB- 4.50 (# 1360:20 Unique 2.16, 2.67 A)
&rst
ixpk= 1360, nxpk= 20, iat=1213, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1217,1218,
&end
#
# 81 ASP HN 81 ASP HB+ 4.50 (# 1361:20 Unique 2.16, 2.67 A)
&rst
ixpk= 1361, nxpk= 20, iat=1213, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1217,1218,
&end
#
# 81 ASP HA 81 ASP HB+ 4.50 (# 1362:20 Unique 2.25, 2.63 A)
&rst
ixpk= 1362, nxpk= 20, iat=1215, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1217,1218,
&end
#
# 0 AMB 20-2:1365 0 AMB 20-1:1365 2.80 (# 1365:20 Double Ambig)
&rst
ixpk= 1365, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 471,1016,
igr2= 473, 474,1018,1019,
&end
#
# 19 LEU HN 19 LEU HB- 4.50 (# 1367:20 Unique 2.48, 3.30 A)
&rst
ixpk= 1367, nxpk= 20, iat= 290, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 294, 295,
&end
#
# 0 AMB 20-2:1368 19 LEU HB- 4.50 (# 1368:20 Single Ambig)
&rst
ixpk= 1368, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 268, 754,
igr2= 294, 295,
&end
#
# 0 AMB 20-2:1369 19 LEU HB- 4.50 (# 1369:20 Single Ambig)
&rst
ixpk= 1369, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 292, 675,
igr2= 294, 295,
&end
#
# 0 AMB 20-2:1371 19 LEU HB- 3.50 (# 1371:20 Single Ambig)
&rst
ixpk= 1371, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 299, 300, 301, 303, 304, 305, 299, 300, 301, 303,
304, 305,
igr2= 294, 295,
&end
#
# 23 HIS HN 16 ILE HB 5.50 (# 1372:20 Unique 2.87, 3.44 A)
&rst
ixpk= 1372, nxpk= 20, iat= 352, 231, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 16 ILE HN 16 ILE HB 4.50 (# 1373:20 Unique 2.61, 2.73 A)
&rst
ixpk= 1373, nxpk= 20, iat= 227, 231, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 23 HIS HB+ 16 ILE HB 5.50 (# 1374:20 Unique 2.80, 4.92 A)
&rst
ixpk= 1374, nxpk= 20, iat= -1, 231, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 356, 357,
&end
#
# 16 ILE QG2 16 ILE HB 3.50 (# 1375:20 Unique 2.37, 2.66 A)
&rst
ixpk= 1375, nxpk= 20, iat= -1, 231, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 233, 234, 235,
&end
#
# 19 LEU HN 19 LEU HB+ 4.50 (# 1376:20 Unique 2.48, 3.30 A)
&rst
ixpk= 1376, nxpk= 20, iat= 290, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 294, 295,
&end
#
# 18 ARG HA 0 AMB 20-1:1377 4.50 (# 1377:20 Single Ambig)
&rst
ixpk= 1377, nxpk= 20, iat= 268, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 231, 294, 295,
&end
#
# 0 AMB 20-2:1378 0 AMB 20-1:1378 4.50 (# 1378:20 Double Ambig)
&rst
ixpk= 1378, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 292, 675,
igr2= 294, 295, 294, 295,
&end
#
# 0 AMB 20-2:1380 0 AMB 20-1:1380 4.50 (# 1380:20 Double Ambig)
&rst
ixpk= 1380, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
igr1= 237, 238, 690, 691, 692,
igr2= 231, 294, 295,
&end
#
# 0 AMB 20-2:1381 0 AMB 20-1:1381 3.50 (# 1381:20 Double Ambig)
&rst
ixpk= 1381, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1= 299, 300, 301, 303, 304, 305, 299, 300, 301, 303,
304, 305,
igr2= 294, 295, 294, 295,
&end
#
# 0 AMB 20-2:1382 16 ILE HB 3.50 (# 1382:20 Single Ambig)
&rst
ixpk= 1382, nxpk= 20, iat= -1, 231, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1= 237, 238, 240, 241, 242,
&end
#
# 116 PHE HN 116 PHE HB- 4.50 (# 1383:20 Unique 2.13, 2.48 A)
&rst
ixpk= 1383, nxpk= 20, iat=1778, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1782,1783,
&end
#
# 116 PHE HA 116 PHE HB- 4.50 (# 1385:20 Unique 2.25, 2.67 A)
&rst
ixpk= 1385, nxpk= 20, iat=1780, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1782,1783,
&end
#
# 116 PHE HD 116 PHE HB- 4.50 (# 1387:20 Unique 2.28, 3.07 A)
&rst
ixpk= 1387, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1786,1794,
igr2=1782,1783,
&end
#
# 119 GLN HE2+ 116 PHE HB- 4.50 (# 1388:20 Unique 4.44, 7.60 A)
&rst
ixpk= 1388, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1840,1841,
igr2=1782,1783,
&end
#
# 36 LEU MDY 116 PHE HB- 5.50 (# 1389:20 Unique 2.12, 4.51 A)
&rst
ixpk= 1389, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 570, 571, 572, 574, 575, 576,
igr2=1782,1783,
&end
#
# 116 PHE HN 116 PHE HB+ 4.50 (# 1390:20 Unique 2.13, 2.48 A)
&rst
ixpk= 1390, nxpk= 20, iat=1778, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1782,1783,
&end
#
# 119 GLN HE2+ 116 PHE HB+ 4.50 (# 1391:20 Unique 4.44, 7.60 A)
&rst
ixpk= 1391, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1840,1841,
igr2=1782,1783,
&end
#
# 0 AMB 20-2:1393 0 AMB 20-1:1393 5.50 (# 1393:20 Double Ambig)
&rst
ixpk= 1393, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1888, 686,
igr2=1892,1893, 756, 757,
&end
#
# 122 TYR HN 122 TYR HB+ 5.50 (# 1396:20 Unique 2.05, 2.70 A)
&rst
ixpk= 1396, nxpk= 20, iat=1888, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1892,1893,
&end
#
# 122 TYR HA 122 TYR HB+ 4.50 (# 1397:20 Unique 2.45, 2.79 A)
&rst
ixpk= 1397, nxpk= 20, iat=1890, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1892,1893,
&end
#
# 51 PHE HD 51 PHE HB+ 3.50 (# 1402:20 Unique 2.33, 3.09 A)
&rst
ixpk= 1402, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 760, 768,
igr2= 756, 757,
&end
#
# 51 PHE HA 51 PHE HB+ 3.50 (# 1403:20 Unique 2.33, 2.58 A)
&rst
ixpk= 1403, nxpk= 20, iat= 754, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 756, 757,
&end
#
# 116 PHE HD 116 PHE HB+ 5.50 (# 1407:20 Unique 2.28, 3.07 A)
&rst
ixpk= 1407, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1786,1794,
igr2=1782,1783,
&end
#
# 0 AMB 20-2:1408 0 AMB 20-1:1408 4.50 (# 1408:20 Double Ambig)
&rst
ixpk= 1408, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 760, 768,1840,1841,
igr2= 756, 757,1892,1893,
&end
#
# 0 AMB 20-2:1409 0 AMB 20-1:1409 2.80 (# 1409:20 Double Ambig)
&rst
ixpk= 1409, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 754,1890,
igr2= 756, 757,1892,1893,
&end
#
# 0 AMB 20-2:1410 0 AMB 20-1:1410 5.50 (# 1410:20 Double Ambig)
&rst
ixpk= 1410, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.06, r4= 9.81,
igr1=1830, 681, 682, 822, 823,
igr2=1892,1893, 756, 757,
&end
#
# 64 ARG HN 63 GLU HG+ 5.50 (# 1413:20 Unique 2.51, 4.49 A)
&rst
ixpk= 1413, nxpk= 20, iat= 956, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 948, 949,
&end
#
# 63 GLU HB+ 63 GLU HG+ 3.50 (# 1414:20 Unique 2.25, 2.63 A)
&rst
ixpk= 1414, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 945, 946,
igr2= 948, 949,
&end
#
# 0 AMB 20-2:1415 0 AMB 20-1:1415 4.50 (# 1415:20 Double Ambig)
&rst
ixpk= 1415, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.82, r4=10.57,
igr1= 515, 516, 517, 519, 520, 521,1032,1033,1034,1036,
1037,1038,1032,1033,1034,1036,1037,1038,
igr2= 948, 949, 948, 949, 948, 949,
&end
#
# 63 GLU HA 63 GLU HG+ 3.50 (# 1416:20 Unique 2.65, 3.46 A)
&rst
ixpk= 1416, nxpk= 20, iat= 943, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 948, 949,
&end
#
# 0 AMB 20-2:1418 0 AMB 20-1:1418 4.50 (# 1418:20 Double Ambig)
&rst
ixpk= 1418, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 899, 900, 960, 961,
igr2= 948, 949, 948, 949,
&end
#
# 0 AMB 20-2:1419 0 AMB 20-1:1419 4.50 (# 1419:20 Double Ambig)
&rst
ixpk= 1419, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 899, 900, 905, 906,
igr2= 948, 949, 948, 949,
&end
#
# 64 ARG HN 63 GLU HG- 7.00 (# 1420:20 Unique 2.51, 4.49 A)
&rst
ixpk= 1420, nxpk= 20, iat= 956, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 948, 949,
&end
#
# 63 GLU HA 63 GLU HG- 4.50 (# 1421:20 Unique 2.65, 3.46 A)
&rst
ixpk= 1421, nxpk= 20, iat= 943, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 948, 949,
&end
#
# 0 AMB 20-2:1424 63 GLU HG- 4.50 (# 1424:20 Single Ambig)
&rst
ixpk= 1424, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 899, 900, 960, 961, 960, 961,
igr2= 948, 949,
&end
#
# 63 GLU HB+ 63 GLU HG- 3.50 (# 1425:20 Unique 2.25, 2.63 A)
&rst
ixpk= 1425, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 945, 946,
igr2= 948, 949,
&end
#
# 0 AMB 20-2:1426 63 GLU HG- 4.50 (# 1426:20 Single Ambig)
&rst
ixpk= 1426, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 899, 900, 905, 906, 905, 906,
igr2= 948, 949,
&end
#
# 0 AMB 20-2:1427 63 GLU HG- 4.50 (# 1427:20 Single Ambig)
&rst
ixpk= 1427, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 515, 516, 517, 519, 520, 521,1032,1033,1034,1036,
1037,1038,1032,1033,1034,1036,1037,1038,
igr2= 948, 949,
&end
#
# 56 ASN HD2+ 56 ASN HB- 4.50 (# 1429:20 Unique 2.28, 3.45 A)
&rst
ixpk= 1429, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 838, 839,
igr2= 833, 834,
&end
#
# 56 ASN HA 56 ASN HB- 3.50 (# 1430:20 Unique 2.37, 2.76 A)
&rst
ixpk= 1430, nxpk= 20, iat= 831, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 833, 834,
&end
#
# 57 SER HA 56 ASN HB- 4.50 (# 1431:20 Unique 4.64, 5.56 A)
&rst
ixpk= 1431, nxpk= 20, iat= 845, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 833, 834,
&end
#
# 0 AMB 20-2:1433 56 ASN HB- 7.00 (# 1433:20 Single Ambig)
&rst
ixpk= 1433, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 868, 869,1562,1563,1607,1608,
igr2= 833, 834,
&end
#
# 25 ALA HN 14 ILE HB 5.50 (# 1437:20 Unique 2.96, 3.15 A)
&rst
ixpk= 1437, nxpk= 20, iat= 393, 197, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 14 ILE HN 14 ILE HB 4.50 (# 1438:20 Unique 2.63, 2.79 A)
&rst
ixpk= 1438, nxpk= 20, iat= 193, 197, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 14 ILE HA 14 ILE HB 4.50 (# 1439:20 Unique 3.00, 3.02 A)
&rst
ixpk= 1439, nxpk= 20, iat= 195, 197, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 14 ILE HG1- 14 ILE HB 3.50 (# 1440:20 Unique 2.43, 2.77 A)
&rst
ixpk= 1440, nxpk= 20, iat= -1, 197, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 203, 204,
&end
#
# 14 ILE HG1+ 14 ILE HB 3.50 (# 1441:20 Unique 2.43, 2.77 A)
&rst
ixpk= 1441, nxpk= 20, iat= -1, 197, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 203, 204,
&end
#
# 25 ALA MB 14 ILE HB 4.50 (# 1442:20 Unique 2.23, 3.58 A)
&rst
ixpk= 1442, nxpk= 20, iat= -1, 197, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 397, 398, 399,
&end
#
# 0 AMB 20-2:1443 14 ILE HB 3.50 (# 1443:20 Single Ambig)
&rst
ixpk= 1443, nxpk= 20, iat= -1, 197, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 206, 207, 208, 199, 200, 201,
&end
#
# 28 ILE HN 28 ILE HB 5.50 (# 1446:20 Unique 3.83, 3.86 A)
&rst
ixpk= 1446, nxpk= 20, iat= 443, 447, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 28 ILE HA 28 ILE HB 3.50 (# 1447:20 Unique 2.36, 2.39 A)
&rst
ixpk= 1447, nxpk= 20, iat= 445, 447, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:1448 28 ILE HB 4.50 (# 1448:20 Single Ambig)
&rst
ixpk= 1448, nxpk= 20, iat= -1, 447, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 453, 454,1423,1424,
&end
#
# 93 ILE QG2 28 ILE HB 3.50 (# 1449:20 Unique 2.33, 3.72 A)
&rst
ixpk= 1449, nxpk= 20, iat= -1, 447, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1419,1420,1421,
&end
#
# 0 AMB 20-2:1450 28 ILE HB 2.80 (# 1450:20 Single Ambig)
&rst
ixpk= 1450, nxpk= 20, iat= -1, 447, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 449, 450, 451,1426,1427,1428,
&end
#
# 28 ILE QD1 28 ILE HB 2.80 (# 1451:20 Unique 2.37, 2.92 A)
&rst
ixpk= 1451, nxpk= 20, iat= -1, 447, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 456, 457, 458,
&end
#
# 21 TYR HD 21 TYR HB- 4.50 (# 1453:20 Unique 2.30, 3.08 A)
&rst
ixpk= 1453, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 324, 333,
igr2= 320, 321,
&end
#
# 0 AMB 20-2:1454 21 TYR HB- 3.50 (# 1454:20 Single Ambig)
&rst
ixpk= 1454, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 318, 646,
igr2= 320, 321,
&end
#
# 18 ARG HB+ 21 TYR HB- 5.50 (# 1456:20 Unique 3.02, 4.80 A)
&rst
ixpk= 1456, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 270, 271,
igr2= 320, 321,
&end
#
# 19 LEU HN 21 TYR HB- 4.50 (# 1457:20 Unique 3.77, 5.00 A)
&rst
ixpk= 1457, nxpk= 20, iat= 290, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 320, 321,
&end
#
# 77 ASN HD2- 77 ASN HB- 4.50 (# 1461:20 Unique 2.27, 3.47 A)
&rst
ixpk= 1461, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1164,1165,
igr2=1159,1160,
&end
#
# 77 ASN HA 77 ASN HB- 4.50 (# 1462:20 Unique 2.38, 2.78 A)
&rst
ixpk= 1462, nxpk= 20, iat=1157, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1159,1160,
&end
#
# 27 TYR HA 27 TYR HB+ 5.50 (# 1465:20 Unique 2.42, 2.75 A)
&rst
ixpk= 1465, nxpk= 20, iat= 424, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 426, 427,
&end
#
# 0 AMB 20-2:1467 0 AMB 20-1:1467 7.00 (# 1467:20 Double Ambig)
&rst
ixpk= 1467, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=14.98, r4=15.73,
igr1=1122,1123, 203, 204, 412, 413, 414, 416, 417, 418,
109, 110,
igr2=1159,1160, 426, 427, 426, 427, 426, 427,
&end
#
# 27 TYR HN 27 TYR HB+ 4.50 (# 1468:20 Unique 2.27, 2.41 A)
&rst
ixpk= 1468, nxpk= 20, iat= 422, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 426, 427,
&end
#
# 27 TYR HD 27 TYR HB+ 4.50 (# 1469:20 Unique 2.31, 3.08 A)
&rst
ixpk= 1469, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 430, 439,
igr2= 426, 427,
&end
#
# 0 AMB 20-2:1470 0 AMB 20-1:1470 5.50 (# 1470:20 Double Ambig)
&rst
ixpk= 1470, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.80, r4=10.55,
igr1= 112, 113, 515, 516, 517, 519, 520, 521,
igr2= 426, 427, 426, 427,
&end
#
# 14 ILE QD1 27 TYR HB+ 5.50 (# 1471:20 Unique 2.14, 4.08 A)
&rst
ixpk= 1471, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 206, 207, 208,
igr2= 426, 427,
&end
#
# 19 LEU HN 21 TYR HB+ 4.50 (# 1472:20 Unique 3.77, 5.00 A)
&rst
ixpk= 1472, nxpk= 20, iat= 290, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 320, 321,
&end
#
# 18 ARG HB+ 21 TYR HB+ 7.00 (# 1475:20 Unique 3.02, 4.80 A)
&rst
ixpk= 1475, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 270, 271,
igr2= 320, 321,
&end
#
# 27 TYR HA 27 TYR HB- 5.50 (# 1478:20 Unique 2.42, 2.75 A)
&rst
ixpk= 1478, nxpk= 20, iat= 424, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 426, 427,
&end
#
# 27 TYR HD 27 TYR HB- 4.50 (# 1479:20 Unique 2.31, 3.08 A)
&rst
ixpk= 1479, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 430, 439,
igr2= 426, 427,
&end
#
# 0 AMB 20-2:1481 27 TYR HB- 4.50 (# 1481:20 Single Ambig)
&rst
ixpk= 1481, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 112, 113, 515, 516, 517, 519, 520, 521,
igr2= 426, 427,
&end
#
# 14 ILE QD1 27 TYR HB- 4.50 (# 1482:20 Unique 2.14, 4.08 A)
&rst
ixpk= 1482, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 206, 207, 208,
igr2= 426, 427,
&end
#
# 27 TYR HN 27 TYR HB- 4.50 (# 1483:20 Unique 2.27, 2.41 A)
&rst
ixpk= 1483, nxpk= 20, iat= 422, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 426, 427,
&end
#
# 30 ASP HA 27 TYR HB- 7.00 (# 1485:20 Unique 6.84, 7.32 A)
&rst
ixpk= 1485, nxpk= 20, iat= 471, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 426, 427,
&end
#
# 22 GLU HA 22 GLU HG+ 5.50 (# 1486:20 Unique 2.36, 3.07 A)
&rst
ixpk= 1486, nxpk= 20, iat= 339, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 344, 345,
&end
#
# 0 AMB 20-2:1488 0 AMB 20-1:1488 4.50 (# 1488:20 Double Ambig)
&rst
ixpk= 1488, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 341, 342, 270, 271,
igr2= 344, 345, 344, 345,
&end
#
# 77 ASN HD2+ 77 ASN HB+ 5.50 (# 1489:20 Unique 2.27, 3.47 A)
&rst
ixpk= 1489, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1164,1165,
igr2=1159,1160,
&end
#
# 77 ASN HN 77 ASN HB+ 5.50 (# 1490:20 Unique 2.49, 3.11 A)
&rst
ixpk= 1490, nxpk= 20, iat=1155, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1159,1160,
&end
#
# 77 ASN HD2- 77 ASN HB+ 5.50 (# 1491:20 Unique 2.27, 3.47 A)
&rst
ixpk= 1491, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1164,1165,
igr2=1159,1160,
&end
#
# 77 ASN HA 77 ASN HB+ 4.50 (# 1492:20 Unique 2.38, 2.78 A)
&rst
ixpk= 1492, nxpk= 20, iat=1157, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1159,1160,
&end
#
# 0 AMB 20-2:1494 0 AMB 20-1:1494 7.00 (# 1494:20 Double Ambig)
&rst
ixpk= 1494, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.11, r4=11.86,
igr1= 216, 217,1122,1123,
igr2=1159,1160,1159,1160,
&end
#
# 0 AMB 20-2:1495 92 ILE HB 4.50 (# 1495:20 Single Ambig)
&rst
ixpk= 1495, nxpk= 20, iat= -1,1398, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1404,1405,1423,1424,
&end
#
# 93 ILE HN 92 ILE HB 4.50 (# 1496:20 Unique 2.61, 2.85 A)
&rst
ixpk= 1496, nxpk= 20, iat=1413,1398, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 92 ILE HN 92 ILE HB 4.50 (# 1497:20 Unique 2.21, 2.57 A)
&rst
ixpk= 1497, nxpk= 20, iat=1394,1398, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 89 VAL HA 92 ILE HB 4.50 (# 1498:20 Unique 2.78, 3.20 A)
&rst
ixpk= 1498, nxpk= 20, iat=1349,1398, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:1499 92 ILE HB 5.50 (# 1499:20 Single Ambig)
&rst
ixpk= 1499, nxpk= 20, iat= -1,1398, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 157, 158,1396,
&end
#
# 92 ILE HG1- 92 ILE HB 5.50 (# 1500:20 Unique 2.28, 2.56 A)
&rst
ixpk= 1500, nxpk= 20, iat= -1,1398, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1404,1405,
&end
#
# 92 ILE QD1 92 ILE HB 3.50 (# 1502:20 Unique 2.53, 3.71 A)
&rst
ixpk= 1502, nxpk= 20, iat= -1,1398, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1407,1408,1409,
&end
#
# 0 AMB 20-2:1503 92 ILE HB 3.50 (# 1503:20 Single Ambig)
&rst
ixpk= 1503, nxpk= 20, iat= -1,1398, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1400,1401,1402, 412, 413, 414, 416, 417, 418,
&end
#
# 22 GLU HA 22 GLU HG- 4.50 (# 1505:20 Unique 2.36, 3.07 A)
&rst
ixpk= 1505, nxpk= 20, iat= 339, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 344, 345,
&end
#
# 0 AMB 20-2:1507 22 GLU HG- 4.50 (# 1507:20 Single Ambig)
&rst
ixpk= 1507, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 341, 342, 270, 271,
igr2= 344, 345,
&end
#
# 17 PHE HA 22 GLU HG- 5.50 (# 1509:20 Unique 1.96, 3.02 A)
&rst
ixpk= 1509, nxpk= 20, iat= 248, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 344, 345,
&end
#
# 22 GLU HB- 22 GLU HG- 4.50 (# 1510:20 Unique 2.28, 2.73 A)
&rst
ixpk= 1510, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 341, 342,
igr2= 344, 345,
&end
#
# 0 AMB 20-2:1511 0 AMB 20-1:1511 3.50 (# 1511:20 Double Ambig)
&rst
ixpk= 1511, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1730,1731,1735, 324, 333,
igr2=1725,1726,1725,1726, 320, 321,
&end
#
# 0 AMB 20-2:1512 0 AMB 20-1:1512 3.50 (# 1512:20 Double Ambig)
&rst
ixpk= 1512, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1723, 318, 646,
igr2=1725,1726, 320, 321, 320, 321,
&end
#
# 0 AMB 20-2:1514 0 AMB 20-1:1514 5.50 (# 1514:20 Double Ambig)
&rst
ixpk= 1514, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 605, 606,1644,1645,
igr2=1725,1726,1725,1726,
&end
#
# 112 ASN HN 112 ASN HB- 4.50 (# 1515:20 Unique 2.10, 2.65 A)
&rst
ixpk= 1515, nxpk= 20, iat=1721, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1725,1726,
&end
#
# 0 AMB 20-2:1516 112 ASN HB- 4.50 (# 1516:20 Single Ambig)
&rst
ixpk= 1516, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1730,1731,1735,
igr2=1725,1726,
&end
#
# 112 ASN HA 112 ASN HB- 4.50 (# 1517:20 Unique 2.18, 2.64 A)
&rst
ixpk= 1517, nxpk= 20, iat=1723, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1725,1726,
&end
#
# 0 AMB 20-2:1518 112 ASN HB- 5.50 (# 1518:20 Single Ambig)
&rst
ixpk= 1518, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 605, 606,1644,1645,
igr2=1725,1726,
&end
#
# 39 PRO HD- 112 ASN HB- 4.50 (# 1519:20 Unique 2.47, 3.43 A)
&rst
ixpk= 1519, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 605, 606,
igr2=1725,1726,
&end
#
# 0 AMB 20-2:1526 61 LYS HB- 4.50 (# 1526:20 Single Ambig)
&rst
ixpk= 1526, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 584, 585, 586,1524,1525,1526,1528,1529,1530,
igr2= 899, 900,
&end
#
# 62 ARG HN 61 LYS HB- 4.50 (# 1527:20 Unique 2.46, 3.38 A)
&rst
ixpk= 1527, nxpk= 20, iat= 917, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 899, 900,
&end
#
# 61 LYS HA 61 LYS HB- 4.50 (# 1528:20 Unique 2.46, 2.80 A)
&rst
ixpk= 1528, nxpk= 20, iat= 897, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 899, 900,
&end
#
# 0 AMB 20-2:1529 61 LYS HB- 4.50 (# 1529:20 Single Ambig)
&rst
ixpk= 1529, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 945, 946, 948, 949,
igr2= 899, 900,
&end
#
# 61 LYS HG- 61 LYS HB- 4.50 (# 1532:20 Unique 2.27, 2.75 A)
&rst
ixpk= 1532, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 902, 903,
igr2= 899, 900,
&end
#
# 61 LYS HN 61 LYS HB+ 5.50 (# 1533:20 Unique 2.51, 3.24 A)
&rst
ixpk= 1533, nxpk= 20, iat= 895, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 899, 900,
&end
#
# 61 LYS HA 61 LYS HB+ 4.50 (# 1534:20 Unique 2.46, 2.80 A)
&rst
ixpk= 1534, nxpk= 20, iat= 897, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 899, 900,
&end
#
# 0 AMB 20-2:1536 0 AMB 20-1:1536 5.50 (# 1536:20 Double Ambig)
&rst
ixpk= 1536, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 945, 946, 948, 949,
igr2= 899, 900, 899, 900,
&end
#
# 61 LYS HG- 61 LYS HB+ 4.50 (# 1539:20 Unique 2.27, 2.75 A)
&rst
ixpk= 1539, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 902, 903,
igr2= 899, 900,
&end
#
# 0 AMB 20-2:1540 0 AMB 20-1:1540 5.50 (# 1540:20 Double Ambig)
&rst
ixpk= 1540, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 584, 585, 586,1524,1525,1526,1528,1529,1530,
igr2= 899, 900, 899, 900,
&end
#
# 62 ARG HN 61 LYS HB+ 7.00 (# 1541:20 Unique 2.46, 3.38 A)
&rst
ixpk= 1541, nxpk= 20, iat= 917, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 899, 900,
&end
#
# 17 PHE HN 17 PHE HB- 4.50 (# 1542:20 Unique 2.28, 2.68 A)
&rst
ixpk= 1542, nxpk= 20, iat= 246, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 250, 251,
&end
#
# 0 AMB 20-2:1543 17 PHE HB- 4.50 (# 1543:20 Single Ambig)
&rst
ixpk= 1543, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 248,1074,
igr2= 250, 251,
&end
#
# 17 PHE HN 17 PHE HB+ 4.50 (# 1545:20 Unique 2.28, 2.68 A)
&rst
ixpk= 1545, nxpk= 20, iat= 246, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 250, 251,
&end
#
# 0 AMB 20-2:1546 0 AMB 20-1:1546 5.50 (# 1546:20 Double Ambig)
&rst
ixpk= 1546, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 248,1074,
igr2= 250, 251, 250, 251,
&end
#
# 78 ASN HN 78 ASN HB- 5.50 (# 1550:20 Unique 2.17, 2.95 A)
&rst
ixpk= 1550, nxpk= 20, iat=1169, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1173,1174,
&end
#
# 0 AMB 20-2:1551 78 ASN HB- 4.50 (# 1551:20 Single Ambig)
&rst
ixpk= 1551, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1178,1179,1178,1179,
igr2=1173,1174,
&end
#
# 78 ASN HA 78 ASN HB- 4.50 (# 1552:20 Unique 2.37, 2.68 A)
&rst
ixpk= 1552, nxpk= 20, iat=1171, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1173,1174,
&end
#
# 0 AMB 20-2:1555 0 AMB 20-1:1555 4.50 (# 1555:20 Double Ambig)
&rst
ixpk= 1555, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1178,1179,1178,1179,
igr2=1173,1174,1173,1174,
&end
#
# 78 ASN HN 78 ASN HB+ 4.50 (# 1557:20 Unique 2.17, 2.95 A)
&rst
ixpk= 1557, nxpk= 20, iat=1169, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1173,1174,
&end
#
# 78 ASN HA 78 ASN HB+ 4.50 (# 1558:20 Unique 2.37, 2.68 A)
&rst
ixpk= 1558, nxpk= 20, iat=1171, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1173,1174,
&end
#
# 64 ARG HN 63 GLU HB- 4.50 (# 1560:20 Unique 2.47, 3.37 A)
&rst
ixpk= 1560, nxpk= 20, iat= 956, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 945, 946,
&end
#
# 63 GLU HN 63 GLU HB- 5.50 (# 1561:20 Unique 2.58, 3.31 A)
&rst
ixpk= 1561, nxpk= 20, iat= 941, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 945, 946,
&end
#
# 63 GLU HA 63 GLU HB- 4.50 (# 1562:20 Unique 2.31, 2.72 A)
&rst
ixpk= 1562, nxpk= 20, iat= 943, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 945, 946,
&end
#
# 63 GLU HG+ 63 GLU HB- 2.80 (# 1563:20 Unique 2.25, 2.63 A)
&rst
ixpk= 1563, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 948, 949,
igr2= 945, 946,
&end
#
# 0 AMB 20-2:1565 63 GLU HB- 4.50 (# 1565:20 Single Ambig)
&rst
ixpk= 1565, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 515, 516, 517, 519, 520, 521,1032,1033,1034,1036,
1037,1038,1032,1033,1034,1036,1037,1038,
igr2= 945, 946,
&end
#
# 93 ILE HN 93 ILE HB 3.50 (# 1566:20 Unique 2.27, 2.39 A)
&rst
ixpk= 1566, nxpk= 20, iat=1413,1417, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 94 SER HN 93 ILE HB 4.50 (# 1567:20 Unique 2.39, 2.62 A)
&rst
ixpk= 1567, nxpk= 20, iat=1432,1417, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 90 GLU HA 93 ILE HB 4.50 (# 1568:20 Unique 2.29, 2.53 A)
&rst
ixpk= 1568, nxpk= 20, iat=1365,1417, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 93 ILE HA 93 ILE HB 4.50 (# 1569:20 Unique 3.04, 3.05 A)
&rst
ixpk= 1569, nxpk= 20, iat=1415,1417, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 93 ILE QG2 93 ILE HB 2.80 (# 1570:20 Unique 2.36, 2.65 A)
&rst
ixpk= 1570, nxpk= 20, iat= -1,1417, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1419,1420,1421,
&end
#
# 93 ILE QD1 93 ILE HB 3.50 (# 1571:20 Unique 2.48, 3.55 A)
&rst
ixpk= 1571, nxpk= 20, iat= -1,1417, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1426,1427,1428,
&end
#
# 93 ILE HG1- 93 ILE HB 4.50 (# 1572:20 Unique 2.33, 2.61 A)
&rst
ixpk= 1572, nxpk= 20, iat= -1,1417, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1423,1424,
&end
#
# 64 ARG HN 63 GLU HB+ 4.50 (# 1573:20 Unique 2.47, 3.37 A)
&rst
ixpk= 1573, nxpk= 20, iat= 956, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 945, 946,
&end
#
# 63 GLU HN 63 GLU HB+ 5.50 (# 1574:20 Unique 2.58, 3.31 A)
&rst
ixpk= 1574, nxpk= 20, iat= 941, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 945, 946,
&end
#
# 63 GLU HA 63 GLU HB+ 4.50 (# 1575:20 Unique 2.31, 2.72 A)
&rst
ixpk= 1575, nxpk= 20, iat= 943, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 945, 946,
&end
#
# 63 GLU HG+ 63 GLU HB+ 2.80 (# 1576:20 Unique 2.25, 2.63 A)
&rst
ixpk= 1576, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 948, 949,
igr2= 945, 946,
&end
#
# 0 AMB 20-2:1578 0 AMB 20-1:1578 4.50 (# 1578:20 Double Ambig)
&rst
ixpk= 1578, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.82, r4=10.57,
igr1= 515, 516, 517, 519, 520, 521,1032,1033,1034,1036,
1037,1038,1032,1033,1034,1036,1037,1038,
igr2= 945, 946, 945, 946, 945, 946,
&end
#
# 0 AMB 20-2:1579 104 MET HB- 5.50 (# 1579:20 Single Ambig)
&rst
ixpk= 1579, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1580, 854,
igr2=1584,1585,
&end
#
# 36 LEU MDX 104 MET HB- 7.00 (# 1581:20 Unique 2.34, 4.49 A)
&rst
ixpk= 1581, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 570, 571, 572, 574, 575, 576,
igr2=1584,1585,
&end
#
# 104 MET HG- 104 MET HB+ 3.50 (# 1582:20 Unique 2.35, 2.76 A)
&rst
ixpk= 1582, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1587,1588,
igr2=1584,1585,
&end
#
# 36 LEU MDY 104 MET HB+ 5.50 (# 1584:20 Unique 2.34, 4.49 A)
&rst
ixpk= 1584, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 570, 571, 572, 574, 575, 576,
igr2=1584,1585,
&end
#
# 0 AMB 20-2:1585 0 AMB 20-1:1585 4.50 (# 1585:20 Double Ambig)
&rst
ixpk= 1585, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1580, 854,
igr2=1584,1585,1584,1585,
&end
#
# 104 MET HA 104 MET HB+ 4.50 (# 1586:20 Unique 2.34, 2.74 A)
&rst
ixpk= 1586, nxpk= 20, iat=1582, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1584,1585,
&end
#
# 98 GLU HN 98 GLU HG- 3.50 (# 1587:20 Unique 2.49, 3.14 A)
&rst
ixpk= 1587, nxpk= 20, iat=1486, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1493,1494,
&end
#
# 98 GLU HB- 98 GLU HG- 2.80 (# 1588:20 Unique 2.36, 2.69 A)
&rst
ixpk= 1588, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1490,1491,
igr2=1493,1494,
&end
#
# 98 GLU HA 98 GLU HG- 3.50 (# 1589:20 Unique 2.39, 3.02 A)
&rst
ixpk= 1589, nxpk= 20, iat=1488, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1493,1494,
&end
#
# 98 GLU HN 98 GLU HG+ 3.50 (# 1591:20 Unique 2.49, 3.14 A)
&rst
ixpk= 1591, nxpk= 20, iat=1486, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1493,1494,
&end
#
# 98 GLU HA 98 GLU HG+ 3.50 (# 1592:20 Unique 2.39, 3.02 A)
&rst
ixpk= 1592, nxpk= 20, iat=1488, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1493,1494,
&end
#
# 98 GLU HB- 98 GLU HG+ 2.80 (# 1593:20 Unique 2.36, 2.69 A)
&rst
ixpk= 1593, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1490,1491,
igr2=1493,1494,
&end
#
# 104 MET HA 104 MET HB- 3.50 (# 1599:20 Unique 2.34, 2.74 A)
&rst
ixpk= 1599, nxpk= 20, iat=1582, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1584,1585,
&end
#
# 90 GLU HN 90 GLU HG+ 3.50 (# 1616:20 Unique 2.04, 2.79 A)
&rst
ixpk= 1616, nxpk= 20, iat=1363, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1370,1371,
&end
#
# 91 VAL HN 90 GLU HG+ 4.50 (# 1617:20 Unique 2.43, 4.14 A)
&rst
ixpk= 1617, nxpk= 20, iat=1378, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1370,1371,
&end
#
# 90 GLU HA 90 GLU HG+ 3.50 (# 1618:20 Unique 2.48, 3.27 A)
&rst
ixpk= 1618, nxpk= 20, iat=1365, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1370,1371,
&end
#
# 91 VAL HA 90 GLU HG+ 7.00 (# 1619:20 Unique 3.59, 5.87 A)
&rst
ixpk= 1619, nxpk= 20, iat=1380, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1370,1371,
&end
#
# 0 AMB 20-2:1621 0 AMB 20-1:1621 2.80 (# 1621:20 Double Ambig)
&rst
ixpk= 1621, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1367,1368,1351,
igr2=1370,1371,1370,1371,
&end
#
# 91 VAL MGX 90 GLU HG+ 4.50 (# 1622:20 Unique 2.50, 6.89 A)
&rst
ixpk= 1622, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1384,1385,1386,1388,1389,1390,
igr2=1370,1371,
&end
#
# 0 AMB 20-2:1623 0 AMB 20-1:1623 4.50 (# 1623:20 Double Ambig)
&rst
ixpk= 1623, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1=1353,1354,1355,1357,1358,1359,1384,1385,1386,1388,
1389,1390,
igr2=1370,1371,1370,1371,
&end
#
# 67 ASP HA 66 GLU HG+ 5.50 (# 1625:20 Unique 3.53, 4.44 A)
&rst
ixpk= 1625, nxpk= 20, iat=1016, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1006,1007,
&end
#
# 66 GLU HB- 66 GLU HG+ 2.80 (# 1627:20 Unique 2.30, 2.76 A)
&rst
ixpk= 1627, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1003,1004,
igr2=1006,1007,
&end
#
# 41 GLU HA 41 GLU HG+ 3.50 (# 1631:20 Unique 2.21, 3.26 A)
&rst
ixpk= 1631, nxpk= 20, iat= 631, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 636, 637,
&end
#
# 0 AMB 20-2:1632 0 AMB 20-1:1632 2.80 (# 1632:20 Double Ambig)
&rst
ixpk= 1632, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1= 633, 634, 740, 669, 670,
igr2= 636, 637, 636, 637, 636, 637,
&end
#
# 41 GLU HB- 41 GLU HG+ 2.80 (# 1633:20 Unique 2.18, 2.66 A)
&rst
ixpk= 1633, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 633, 634,
igr2= 636, 637,
&end
#
# 101 GLY HA- 59 GLU HG+ 5.50 (# 1637:20 Unique 2.92, 4.43 A)
&rst
ixpk= 1637, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1536,1537,
igr2= 871, 872,
&end
#
# 59 GLU HA 59 GLU HG+ 3.50 (# 1638:20 Unique 2.26, 2.72 A)
&rst
ixpk= 1638, nxpk= 20, iat= 866, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 871, 872,
&end
#
# 101 GLY HA+ 59 GLU HG+ 5.50 (# 1639:20 Unique 2.92, 4.43 A)
&rst
ixpk= 1639, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1536,1537,
igr2= 871, 872,
&end
#
# 59 GLU HB+ 59 GLU HG+ 2.80 (# 1641:20 Unique 2.39, 2.77 A)
&rst
ixpk= 1641, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 868, 869,
igr2= 871, 872,
&end
#
# 61 LYS HG+ 59 GLU HG+ 4.50 (# 1642:20 Unique 2.31, 4.01 A)
&rst
ixpk= 1642, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 902, 903,
igr2= 871, 872,
&end
#
# 60 VAL HN 59 GLU HG+ 4.50 (# 1643:20 Unique 2.63, 2.98 A)
&rst
ixpk= 1643, nxpk= 20, iat= 879, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 871, 872,
&end
#
# 0 AMB 20-2:1644 0 AMB 20-1:1644 4.50 (# 1644:20 Double Ambig)
&rst
ixpk= 1644, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1541, 864, 580,
igr2= 871, 872, 871, 872, 871, 872,
&end
#
# 103 LYS HA 59 GLU HG+ 5.50 (# 1645:20 Unique 2.69, 3.94 A)
&rst
ixpk= 1645, nxpk= 20, iat=1560, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 871, 872,
&end
#
# 0 AMB 20-2:1646 0 AMB 20-1:1646 2.80 (# 1646:20 Double Ambig)
&rst
ixpk= 1646, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,
igr1=1565,1566,1568,1569, 905, 906, 905, 906,
igr2= 871, 872, 871, 872, 871, 872, 871, 872,
&end
#
# 66 GLU HN 66 GLU HG+ 4.50 (# 1649:20 Unique 1.95, 2.79 A)
&rst
ixpk= 1649, nxpk= 20, iat= 999, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1006,1007,
&end
#
# 67 ASP HN 66 GLU HG+ 4.50 (# 1652:20 Unique 2.45, 3.13 A)
&rst
ixpk= 1652, nxpk= 20, iat=1014, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1006,1007,
&end
#
# 66 GLU HA 66 GLU HG+ 3.50 (# 1653:20 Unique 3.74, 3.81 A)
&rst
ixpk= 1653, nxpk= 20, iat=1001, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1006,1007,
&end
#
# 0 AMB 20-2:1656 0 AMB 20-1:1656 5.50 (# 1656:20 Double Ambig)
&rst
ixpk= 1656, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1= 989, 990, 991, 993, 994, 995,1048,1049,1050,1052,
1053,1054,
igr2=1006,1007,1006,1007,
&end
#
# 0 AMB 20-2:1657 0 AMB 20-1:1657 4.50 (# 1657:20 Double Ambig)
&rst
ixpk= 1657, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.81, r4=11.56,
igr1=1048,1049,1050,1052,1053,1054,1032,1033,1034,1036,
1037,1038,1032,1033,1034,1036,1037,1038, 515, 516,
517, 519, 520, 521,
igr2=1006,1007,1006,1007,1006,1007,1006,1007,
&end
#
# 7 GLU HA 7 GLU HG- 4.50 (# 1664:20 Unique 2.37, 2.77 A)
&rst
ixpk= 1664, nxpk= 20, iat= 92, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 97, 98,
&end
#
# 8 PRO HD- 7 GLU HG- 5.50 (# 1665:20 Unique 2.27, 3.44 A)
&rst
ixpk= 1665, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 106, 107,
igr2= 97, 98,
&end
#
# 8 PRO HD+ 7 GLU HG- 4.50 (# 1666:20 Unique 2.27, 3.44 A)
&rst
ixpk= 1666, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 106, 107,
igr2= 97, 98,
&end
#
# 7 GLU HB+ 7 GLU HG- 2.80 (# 1667:20 Unique 2.32, 2.76 A)
&rst
ixpk= 1667, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 94, 95,
igr2= 97, 98,
&end
#
# 8 PRO HD+ 7 GLU HG+ 4.50 (# 1668:20 Unique 2.27, 3.44 A)
&rst
ixpk= 1668, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 106, 107,
igr2= 97, 98,
&end
#
# 7 GLU HA 7 GLU HG+ 4.50 (# 1670:20 Unique 2.37, 2.77 A)
&rst
ixpk= 1670, nxpk= 20, iat= 92, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 97, 98,
&end
#
# 8 PRO HD- 7 GLU HG+ 5.50 (# 1671:20 Unique 2.27, 3.44 A)
&rst
ixpk= 1671, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 106, 107,
igr2= 97, 98,
&end
#
# 7 GLU HB- 7 GLU HG+ 2.80 (# 1675:20 Unique 2.32, 2.76 A)
&rst
ixpk= 1675, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 94, 95,
igr2= 97, 98,
&end
#
# 7 GLU HB+ 7 GLU HG+ 2.80 (# 1676:20 Unique 2.32, 2.76 A)
&rst
ixpk= 1676, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 94, 95,
igr2= 97, 98,
&end
#
# 84 TYR HN 83 GLU HG+ 4.50 (# 1679:20 Unique 4.40, 5.02 A)
&rst
ixpk= 1679, nxpk= 20, iat=1257, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1249,1250,
&end
#
# 83 GLU HN 83 GLU HG+ 4.50 (# 1680:20 Unique 2.18, 3.03 A)
&rst
ixpk= 1680, nxpk= 20, iat=1242, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1249,1250,
&end
#
# 80 LEU HA 83 GLU HG+ 5.50 (# 1681:20 Unique 2.26, 3.15 A)
&rst
ixpk= 1681, nxpk= 20, iat=1196, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1249,1250,
&end
#
# 83 GLU HA 83 GLU HG+ 3.50 (# 1682:20 Unique 2.45, 3.45 A)
&rst
ixpk= 1682, nxpk= 20, iat=1244, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1249,1250,
&end
#
# 82 HIS HB+ 83 GLU HG+ 5.50 (# 1683:20 Unique 3.04, 5.23 A)
&rst
ixpk= 1683, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1229,1230,
igr2=1249,1250,
&end
#
# 83 GLU HB+ 83 GLU HG+ 2.80 (# 1686:20 Unique 2.34, 2.62 A)
&rst
ixpk= 1686, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1246,1247,
igr2=1249,1250,
&end
#
# 84 TYR HH 83 GLU HG+ 5.50 (# 1687:20 Unique 4.67, 6.65 A)
&rst
ixpk= 1687, nxpk= 20, iat=1270, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1249,1250,
&end
#
# 0 AMB 20-2:1688 0 AMB 20-1:1688 3.50 (# 1688:20 Double Ambig)
&rst
ixpk= 1688, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1=1203,1204,1205,1207,1208,1209,1203,1204,1205,1207,
1208,1209,
igr2=1249,1250,1249,1250,
&end
#
# 34 ILE HN 33 VAL HB 4.50 (# 1693:20 Unique 2.37, 2.57 A)
&rst
ixpk= 1693, nxpk= 20, iat= 525, 513, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 26 LEU HN 33 VAL HB 5.50 (# 1694:20 Unique 2.77, 3.24 A)
&rst
ixpk= 1694, nxpk= 20, iat= 403, 513, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 33 VAL HA 33 VAL HB 3.50 (# 1695:20 Unique 2.39, 2.66 A)
&rst
ixpk= 1695, nxpk= 20, iat= 511, 513, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 25 ALA MB 33 VAL HB 3.50 (# 1696:20 Unique 2.24, 3.43 A)
&rst
ixpk= 1696, nxpk= 20, iat= -1, 513, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 397, 398, 399,
&end
#
# 33 VAL MGX 33 VAL HB 3.50 (# 1697:20 Unique 2.32, 2.64 A)
&rst
ixpk= 1697, nxpk= 20, iat= -1, 513, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 515, 516, 517, 519, 520, 521,
&end
#
# 33 VAL MGY 33 VAL HB 3.50 (# 1698:20 Unique 2.32, 2.64 A)
&rst
ixpk= 1698, nxpk= 20, iat= -1, 513, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 515, 516, 517, 519, 520, 521,
&end
#
# 0 AMB 20-2:1703 15 GLU HG- 5.50 (# 1703:20 Single Ambig)
&rst
ixpk= 1703, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 379, 216, 217,
igr2= 219, 220,
&end
#
# 0 AMB 20-2:1704 15 GLU HG- 5.50 (# 1704:20 Single Ambig)
&rst
ixpk= 1704, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1159,1160, 214,
igr2= 219, 220,
&end
#
# 15 GLU HB+ 15 GLU HG- 5.50 (# 1705:20 Unique 2.36, 2.77 A)
&rst
ixpk= 1705, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 216, 217,
igr2= 219, 220,
&end
#
# 15 GLU HB+ 15 GLU HG+ 5.50 (# 1707:20 Unique 2.36, 2.77 A)
&rst
ixpk= 1707, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 216, 217,
igr2= 219, 220,
&end
#
# 0 AMB 20-2:1708 0 AMB 20-1:1708 5.50 (# 1708:20 Double Ambig)
&rst
ixpk= 1708, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 379, 216, 217,
igr2= 219, 220, 219, 220,
&end
#
# 0 AMB 20-2:1709 0 AMB 20-1:1709 5.50 (# 1709:20 Double Ambig)
&rst
ixpk= 1709, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1159,1160, 214,
igr2= 219, 220, 219, 220,
&end
#
# 35 HIS HA 35 HIS HB+ 4.50 (# 1710:20 Unique 2.24, 2.46 A)
&rst
ixpk= 1710, nxpk= 20, iat= 546, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 548, 549,
&end
#
# 25 ALA HA 35 HIS HB+ 5.50 (# 1711:20 Unique 2.91, 3.36 A)
&rst
ixpk= 1711, nxpk= 20, iat= 395, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 548, 549,
&end
#
# 25 ALA MB 35 HIS HB+ 4.50 (# 1713:20 Unique 2.44, 3.86 A)
&rst
ixpk= 1713, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 397, 398, 399,
igr2= 548, 549,
&end
#
# 35 HIS HA 35 HIS HB- 4.50 (# 1714:20 Unique 2.24, 2.46 A)
&rst
ixpk= 1714, nxpk= 20, iat= 546, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 548, 549,
&end
#
# 25 ALA HA 35 HIS HB- 5.50 (# 1715:20 Unique 2.91, 3.36 A)
&rst
ixpk= 1715, nxpk= 20, iat= 395, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 548, 549,
&end
#
# 25 ALA MB 35 HIS HB- 4.50 (# 1717:20 Unique 2.44, 3.86 A)
&rst
ixpk= 1717, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 397, 398, 399,
igr2= 548, 549,
&end
#
# 27 TYR HA 33 VAL HB 5.50 (# 1719:20 Unique 3.06, 3.98 A)
&rst
ixpk= 1719, nxpk= 20, iat= 424, 513, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 16 ILE HB 23 HIS HB- 7.00 (# 1721:20 Unique 2.80, 4.92 A)
&rst
ixpk= 1721, nxpk= 20, iat= 231, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 356, 357,
&end
#
# 0 AMB 20-2:1722 23 HIS HB- 5.50 (# 1722:20 Single Ambig)
&rst
ixpk= 1722, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
igr1= 237, 238, 240, 241, 242,
igr2= 356, 357,
&end
#
# 103 LYS HN 102 GLN HG- 4.50 (# 1725:20 Unique 3.83, 4.86 A)
&rst
ixpk= 1725, nxpk= 20, iat=1558, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1548,1549,
&end
#
# 102 GLN HN 102 GLN HG- 3.50 (# 1726:20 Unique 2.49, 3.06 A)
&rst
ixpk= 1726, nxpk= 20, iat=1541, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1548,1549,
&end
#
# 102 GLN HE2+ 102 GLN HG- 4.50 (# 1727:20 Unique 2.23, 3.30 A)
&rst
ixpk= 1727, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1553,1554,
igr2=1548,1549,
&end
#
# 99 MET HA 102 GLN HG- 4.50 (# 1728:20 Unique 2.39, 2.88 A)
&rst
ixpk= 1728, nxpk= 20, iat=1503, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1548,1549,
&end
#
# 102 GLN HA 102 GLN HG- 3.50 (# 1729:20 Unique 2.89, 3.56 A)
&rst
ixpk= 1729, nxpk= 20, iat=1543, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1548,1549,
&end
#
# 102 GLN HB- 102 GLN HG- 2.80 (# 1732:20 Unique 2.24, 2.65 A)
&rst
ixpk= 1732, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1545,1546,
igr2=1548,1549,
&end
#
# 60 VAL MGY 102 GLN HG- 5.50 (# 1733:20 Unique 2.43, 5.59 A)
&rst
ixpk= 1733, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 885, 886, 887, 889, 890, 891,
igr2=1548,1549,
&end
#
# 102 GLN HE2- 102 GLN HG- 5.50 (# 1734:20 Unique 2.23, 3.30 A)
&rst
ixpk= 1734, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1553,1554,
igr2=1548,1549,
&end
#
# 103 LYS HN 102 GLN HG+ 4.50 (# 1735:20 Unique 3.83, 4.86 A)
&rst
ixpk= 1735, nxpk= 20, iat=1558, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1548,1549,
&end
#
# 102 GLN HN 102 GLN HG+ 4.50 (# 1736:20 Unique 2.49, 3.06 A)
&rst
ixpk= 1736, nxpk= 20, iat=1541, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1548,1549,
&end
#
# 102 GLN HE2+ 102 GLN HG+ 5.50 (# 1737:20 Unique 2.23, 3.30 A)
&rst
ixpk= 1737, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1553,1554,
igr2=1548,1549,
&end
#
# 102 GLN HE2- 102 GLN HG+ 5.50 (# 1738:20 Unique 2.23, 3.30 A)
&rst
ixpk= 1738, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1553,1554,
igr2=1548,1549,
&end
#
# 99 MET HA 102 GLN HG+ 4.50 (# 1739:20 Unique 2.39, 2.88 A)
&rst
ixpk= 1739, nxpk= 20, iat=1503, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1548,1549,
&end
#
# 102 GLN HA 102 GLN HG+ 3.50 (# 1740:20 Unique 2.89, 3.56 A)
&rst
ixpk= 1740, nxpk= 20, iat=1543, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1548,1549,
&end
#
# 99 MET HG+ 102 GLN HG+ 4.50 (# 1742:20 Unique 2.98, 4.53 A)
&rst
ixpk= 1742, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1508,1509,
igr2=1548,1549,
&end
#
# 102 GLN HB- 102 GLN HG+ 2.80 (# 1744:20 Unique 2.24, 2.65 A)
&rst
ixpk= 1744, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1545,1546,
igr2=1548,1549,
&end
#
# 60 VAL MGY 102 GLN HG+ 5.50 (# 1745:20 Unique 2.43, 5.59 A)
&rst
ixpk= 1745, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 885, 886, 887, 889, 890, 891,
igr2=1548,1549,
&end
#
# 0 AMB 20-2:1750 23 HIS HB- 5.50 (# 1750:20 Single Ambig)
&rst
ixpk= 1750, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 352, 561,
igr2= 356, 357,
&end
#
# 23 HIS HA 23 HIS HB- 4.50 (# 1751:20 Unique 2.32, 2.63 A)
&rst
ixpk= 1751, nxpk= 20, iat= 354, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 356, 357,
&end
#
# 0 AMB 20-2:1755 0 AMB 20-1:1755 5.50 (# 1755:20 Double Ambig)
&rst
ixpk= 1755, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 352, 561,
igr2= 356, 357, 356, 357,
&end
#
# 0 AMB 20-2:1756 0 AMB 20-1:1756 5.50 (# 1756:20 Double Ambig)
&rst
ixpk= 1756, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.06, r4= 9.81,
igr1= 237, 238, 240, 241, 242,
igr2= 356, 357, 356, 357,
&end
#
# 23 HIS HA 23 HIS HB+ 5.50 (# 1757:20 Unique 2.32, 2.63 A)
&rst
ixpk= 1757, nxpk= 20, iat= 354, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 356, 357,
&end
#
# 16 ILE HB 23 HIS HB+ 7.00 (# 1760:20 Unique 2.80, 4.92 A)
&rst
ixpk= 1760, nxpk= 20, iat= 231, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 356, 357,
&end
#
# 116 PHE HA 119 GLN HG- 5.50 (# 1763:20 Unique 2.21, 4.05 A)
&rst
ixpk= 1763, nxpk= 20, iat=1780, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1835,1836,
&end
#
# 119 GLN HA 119 GLN HG- 4.50 (# 1764:20 Unique 2.46, 3.10 A)
&rst
ixpk= 1764, nxpk= 20, iat=1830, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1835,1836,
&end
#
# 0 AMB 20-2:1765 119 GLN HG- 2.80 (# 1765:20 Single Ambig)
&rst
ixpk= 1765, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.11, r4= 4.86,
igr1=1832,1833,1591,1592,1593,
igr2=1835,1836,
&end
#
# 119 GLN HN 119 GLN HG- 4.50 (# 1766:20 Unique 2.36, 3.17 A)
&rst
ixpk= 1766, nxpk= 20, iat=1828, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1835,1836,
&end
#
# 119 GLN HE2+ 119 GLN HG- 7.00 (# 1767:20 Unique 2.25, 3.43 A)
&rst
ixpk= 1767, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1840,1841,
igr2=1835,1836,
&end
#
# 120 LEU HN 119 GLN HG- 7.00 (# 1768:20 Unique 2.76, 4.64 A)
&rst
ixpk= 1768, nxpk= 20, iat=1845, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1835,1836,
&end
#
# 119 GLN HB- 119 GLN HG- 2.80 (# 1771:20 Unique 2.26, 2.71 A)
&rst
ixpk= 1771, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1832,1833,
igr2=1835,1836,
&end
#
# 119 GLN HN 119 GLN HG+ 4.50 (# 1774:20 Unique 2.36, 3.17 A)
&rst
ixpk= 1774, nxpk= 20, iat=1828, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1835,1836,
&end
#
# 119 GLN HE2+ 119 GLN HG+ 7.00 (# 1777:20 Unique 2.25, 3.43 A)
&rst
ixpk= 1777, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1840,1841,
igr2=1835,1836,
&end
#
# 116 PHE HA 119 GLN HG+ 4.50 (# 1778:20 Unique 2.21, 4.05 A)
&rst
ixpk= 1778, nxpk= 20, iat=1780, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1835,1836,
&end
#
# 119 GLN HA 119 GLN HG+ 4.50 (# 1779:20 Unique 2.46, 3.10 A)
&rst
ixpk= 1779, nxpk= 20, iat=1830, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1835,1836,
&end
#
# 0 AMB 20-2:1784 0 AMB 20-1:1784 3.50 (# 1784:20 Double Ambig)
&rst
ixpk= 1784, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 879,1580, 854,
igr2= 868, 869, 868, 869, 868, 869,
&end
#
# 0 AMB 20-2:1785 0 AMB 20-1:1785 3.50 (# 1785:20 Double Ambig)
&rst
ixpk= 1785, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 864, 580,
igr2= 868, 869, 868, 869,
&end
#
# 59 GLU HA 59 GLU HB+ 3.50 (# 1786:20 Unique 2.49, 2.79 A)
&rst
ixpk= 1786, nxpk= 20, iat= 866, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 868, 869,
&end
#
# 103 LYS HE+ 59 GLU HB+ 4.50 (# 1787:20 Unique 1.99, 4.89 A)
&rst
ixpk= 1787, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1571,1572,
igr2= 868, 869,
&end
#
# 61 LYS HE+ 59 GLU HB+ 4.50 (# 1788:20 Unique 2.18, 5.59 A)
&rst
ixpk= 1788, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 908, 909,
igr2= 868, 869,
&end
#
# 59 GLU HG+ 59 GLU HB+ 2.80 (# 1789:20 Unique 2.39, 2.77 A)
&rst
ixpk= 1789, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 871, 872,
igr2= 868, 869,
&end
#
# 0 AMB 20-2:1790 0 AMB 20-1:1790 7.00 (# 1790:20 Double Ambig)
&rst
ixpk= 1790, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=12.47, r4=13.22,
igr1= 856,1536,1537, 820,
igr2= 868, 869, 868, 869,1562,1563, 868, 869,
&end
#
# 102 GLN HA 59 GLU HB+ 7.00 (# 1801:20 Unique 6.06, 7.30 A)
&rst
ixpk= 1801, nxpk= 20, iat=1543, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 868, 869,
&end
#
# 103 LYS HN 103 LYS HB- 3.50 (# 1802:20 Unique 2.30, 3.10 A)
&rst
ixpk= 1802, nxpk= 20, iat=1558, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1562,1563,
&end
#
# 103 LYS HA 0 AMB 20-1:1803 3.50 (# 1803:20 Single Ambig)
&rst
ixpk= 1803, nxpk= 20, iat=1560, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2=1562,1563, 868, 869,
&end
#
# 124 LYS HG- 124 LYS HB- 3.50 (# 1806:20 Unique 2.30, 2.61 A)
&rst
ixpk= 1806, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1923,1924,
igr2=1920,1921,
&end
#
# 114 GLU HA 114 GLU HG+ 5.50 (# 1809:20 Unique 2.38, 2.81 A)
&rst
ixpk= 1809, nxpk= 20, iat=1748, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1753,1754,
&end
#
# 114 GLU HB- 114 GLU HG+ 4.50 (# 1810:20 Unique 2.35, 2.76 A)
&rst
ixpk= 1810, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1750,1751,
igr2=1753,1754,
&end
#
# 114 GLU HA 114 GLU HG- 5.50 (# 1815:20 Unique 2.38, 2.81 A)
&rst
ixpk= 1815, nxpk= 20, iat=1748, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1753,1754,
&end
#
# 114 GLU HB- 114 GLU HG- 5.50 (# 1816:20 Unique 2.35, 2.76 A)
&rst
ixpk= 1816, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1750,1751,
igr2=1753,1754,
&end
#
# 99 MET HN 99 MET HB- 4.50 (# 1820:20 Unique 2.24, 2.93 A)
&rst
ixpk= 1820, nxpk= 20, iat=1501, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1505,1506,
&end
#
# 100 VAL HN 99 MET HB- 4.50 (# 1821:20 Unique 2.85, 3.47 A)
&rst
ixpk= 1821, nxpk= 20, iat=1518, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1505,1506,
&end
#
# 99 MET HG- 99 MET HB- 4.50 (# 1822:20 Unique 2.32, 2.75 A)
&rst
ixpk= 1822, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1508,1509,
igr2=1505,1506,
&end
#
# 99 MET HG+ 99 MET HB- 4.50 (# 1823:20 Unique 2.32, 2.75 A)
&rst
ixpk= 1823, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1508,1509,
igr2=1505,1506,
&end
#
# 60 VAL MGX 99 MET HB- 4.50 (# 1824:20 Unique 2.18, 3.81 A)
&rst
ixpk= 1824, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 885, 886, 887, 889, 890, 891,
igr2=1505,1506,
&end
#
# 60 VAL MGY 99 MET HB- 5.50 (# 1825:20 Unique 2.18, 3.81 A)
&rst
ixpk= 1825, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 885, 886, 887, 889, 890, 891,
igr2=1505,1506,
&end
#
# 6 GLN HE2- 6 GLN HG+ 5.50 (# 1827:20 Unique 2.18, 3.47 A)
&rst
ixpk= 1827, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 85, 86,
igr2= 80, 81,
&end
#
# 6 GLN HA 6 GLN HG+ 4.50 (# 1830:20 Unique 2.51, 3.05 A)
&rst
ixpk= 1830, nxpk= 20, iat= 75, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 80, 81,
&end
#
# 6 GLN HB- 6 GLN HG+ 2.80 (# 1834:20 Unique 2.24, 2.75 A)
&rst
ixpk= 1834, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 77, 78,
igr2= 80, 81,
&end
#
# 6 GLN HB+ 6 GLN HG+ 2.80 (# 1835:20 Unique 2.24, 2.75 A)
&rst
ixpk= 1835, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 77, 78,
igr2= 80, 81,
&end
#
# 125 SER HN 124 LYS HB- 5.50 (# 1844:20 Unique 3.10, 3.87 A)
&rst
ixpk= 1844, nxpk= 20, iat=1938, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1920,1921,
&end
#
# 0 AMB 20-2:1845 124 LYS HB- 5.50 (# 1845:20 Single Ambig)
&rst
ixpk= 1845, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1290,1291,1916,
igr2=1920,1921,
&end
#
# 124 LYS HA 124 LYS HB- 3.50 (# 1846:20 Unique 2.37, 2.80 A)
&rst
ixpk= 1846, nxpk= 20, iat=1918, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1920,1921,
&end
#
# 125 SER HN 124 LYS HB+ 4.50 (# 1850:20 Unique 3.10, 3.87 A)
&rst
ixpk= 1850, nxpk= 20, iat=1938, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1920,1921,
&end
#
# 0 AMB 20-2:1851 0 AMB 20-1:1851 5.50 (# 1851:20 Double Ambig)
&rst
ixpk= 1851, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1290,1291,1916,
igr2=1920,1921,1920,1921,
&end
#
# 124 LYS HA 124 LYS HB+ 4.50 (# 1852:20 Unique 2.37, 2.80 A)
&rst
ixpk= 1852, nxpk= 20, iat=1918, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1920,1921,
&end
#
# 124 LYS HG- 124 LYS HB+ 3.50 (# 1855:20 Unique 2.30, 2.61 A)
&rst
ixpk= 1855, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1923,1924,
igr2=1920,1921,
&end
#
# 0 AMB 20-2:1861 0 AMB 20-1:1861 5.50 (# 1861:20 Double Ambig)
&rst
ixpk= 1861, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1290,1291,1916,
igr2=1285,1286,1285,1286,
&end
#
# 85 GLN HA 85 GLN HG+ 3.50 (# 1862:20 Unique 2.21, 3.51 A)
&rst
ixpk= 1862, nxpk= 20, iat=1280, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1285,1286,
&end
#
# 86 PRO HD+ 85 GLN HG+ 4.50 (# 1863:20 Unique 2.10, 3.73 A)
&rst
ixpk= 1863, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1296,1297,
igr2=1285,1286,
&end
#
# 0 AMB 20-2:1864 0 AMB 20-1:1864 4.50 (# 1864:20 Double Ambig)
&rst
ixpk= 1864, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1296,1297,1334,1335,
igr2=1285,1286,1285,1286,
&end
#
# 85 GLN HN 85 GLN HG+ 4.50 (# 1867:20 Unique 3.00, 4.41 A)
&rst
ixpk= 1867, nxpk= 20, iat=1278, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1285,1286,
&end
#
# 85 GLN HE2+ 85 GLN HG+ 5.50 (# 1868:20 Unique 2.38, 3.56 A)
&rst
ixpk= 1868, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1290,1291,
igr2=1285,1286,
&end
#
# 0 AMB 20-2:1871 0 AMB 20-1:1871 2.80 (# 1871:20 Double Ambig)
&rst
ixpk= 1871, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1282,1283,1299,1300,
igr2=1285,1286,1285,1286,
&end
#
# 99 MET HA 99 MET HB- 4.50 (# 1874:20 Unique 2.51, 2.80 A)
&rst
ixpk= 1874, nxpk= 20, iat=1503, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1505,1506,
&end
#
# 24 TRP HA 24 TRP HB+ 7.00 (# 1881:20 Unique 2.39, 2.77 A)
&rst
ixpk= 1881, nxpk= 20, iat= 371, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 373, 374,
&end
#
# 24 TRP HA 24 TRP HB- 7.00 (# 1883:20 Unique 2.39, 2.77 A)
&rst
ixpk= 1883, nxpk= 20, iat= 371, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 373, 374,
&end
#
# 117 VAL MGY 24 TRP HB- 5.50 (# 1885:20 Unique 2.30, 4.03 A)
&rst
ixpk= 1885, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1804,1805,1806,1808,1809,1810,
igr2= 373, 374,
&end
#
# 0 AMB 20-2:1886 24 TRP HB- 5.50 (# 1886:20 Single Ambig)
&rst
ixpk= 1886, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1748, 548, 549,
igr2= 373, 374,
&end
#
# 76 VAL HN 75 ARG HB- 4.50 (# 1887:20 Unique 2.51, 3.92 A)
&rst
ixpk= 1887, nxpk= 20, iat=1139, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1119,1120,
&end
#
# 75 ARG HA 75 ARG HB- 3.50 (# 1888:20 Unique 2.35, 2.69 A)
&rst
ixpk= 1888, nxpk= 20, iat=1117, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1119,1120,
&end
#
# 75 ARG HD- 75 ARG HB- 4.50 (# 1889:20 Unique 2.38, 3.36 A)
&rst
ixpk= 1889, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1125,1126,
igr2=1119,1120,
&end
#
# 117 VAL MGY 24 TRP HB+ 4.50 (# 1892:20 Unique 2.30, 4.03 A)
&rst
ixpk= 1892, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1804,1805,1806,1808,1809,1810,
igr2= 373, 374,
&end
#
# 0 AMB 20-2:1893 75 ARG HB- 4.50 (# 1893:20 Single Ambig)
&rst
ixpk= 1893, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 216, 217,1122,1123,
igr2=1119,1120,
&end
#
# 0 AMB 20-2:1895 99 MET HG- 5.50 (# 1895:20 Single Ambig)
&rst
ixpk= 1895, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1447,1448,1456,
igr2=1508,1509,
&end
#
# 99 MET HB- 99 MET HG- 3.50 (# 1897:20 Unique 2.32, 2.75 A)
&rst
ixpk= 1897, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1505,1506,
igr2=1508,1509,
&end
#
# 99 MET HN 99 MET HG+ 4.50 (# 1898:20 Unique 2.48, 3.30 A)
&rst
ixpk= 1898, nxpk= 20, iat=1501, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1508,1509,
&end
#
# 96 ALA HA 99 MET HG+ 5.50 (# 1899:20 Unique 3.94, 4.76 A)
&rst
ixpk= 1899, nxpk= 20, iat=1456, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1508,1509,
&end
#
# 0 AMB 20-2:1902 0 AMB 20-1:1902 4.50 (# 1902:20 Double Ambig)
&rst
ixpk= 1902, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1512,1513,1514,1490,1491,
igr2=1508,1509,1508,1509,
&end
#
# 120 LEU MDX 99 MET HG+ 5.50 (# 1903:20 Unique 4.17, 6.79 A)
&rst
ixpk= 1903, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1854,1855,1856,1858,1859,1860,
igr2=1508,1509,
&end
#
# 36 LEU MDY 104 MET HG+ 5.50 (# 1905:20 Unique 2.42, 5.00 A)
&rst
ixpk= 1905, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 570, 571, 572, 574, 575, 576,
igr2=1587,1588,
&end
#
# 97 LYS HD+ 97 LYS HB- 2.80 (# 1907:20 Unique 2.46, 3.24 A)
&rst
ixpk= 1907, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1474,1475,
igr2=1468,1469,
&end
#
# 105 LYS HN 105 LYS HB+ 3.50 (# 1908:20 Unique 2.77, 3.21 A)
&rst
ixpk= 1908, nxpk= 20, iat=1597, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1601,1602,
&end
#
# 0 AMB 20-2:1909 0 AMB 20-1:1909 3.50 (# 1909:20 Double Ambig)
&rst
ixpk= 1909, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 845,1582,
igr2=1601,1602,1601,1602,
&end
#
# 105 LYS HA 105 LYS HB+ 3.50 (# 1910:20 Unique 2.44, 2.84 A)
&rst
ixpk= 1910, nxpk= 20, iat=1599, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1601,1602,
&end
#
# 105 LYS HE+ 105 LYS HB+ 5.50 (# 1911:20 Unique 2.17, 4.21 A)
&rst
ixpk= 1911, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1610,1611,
igr2=1601,1602,
&end
#
# 105 LYS HG+ 105 LYS HB+ 3.50 (# 1912:20 Unique 2.27, 2.60 A)
&rst
ixpk= 1912, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1604,1605,
igr2=1601,1602,
&end
#
# 105 LYS HG- 105 LYS HB+ 2.80 (# 1913:20 Unique 2.27, 2.60 A)
&rst
ixpk= 1913, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1604,1605,
igr2=1601,1602,
&end
#
# 99 MET HN 99 MET HG- 4.50 (# 1919:20 Unique 2.48, 3.30 A)
&rst
ixpk= 1919, nxpk= 20, iat=1501, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1508,1509,
&end
#
# 0 AMB 20-2:1920 99 MET HG- 5.50 (# 1920:20 Single Ambig)
&rst
ixpk= 1920, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1518,1788,1792,
igr2=1508,1509,
&end
#
# 99 MET HA 99 MET HG- 4.50 (# 1921:20 Unique 2.42, 2.64 A)
&rst
ixpk= 1921, nxpk= 20, iat=1503, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1508,1509,
&end
#
# 0 AMB 20-2:1923 99 MET HG- 3.50 (# 1923:20 Single Ambig)
&rst
ixpk= 1923, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
igr1=1512,1513,1514,1490,1491,
igr2=1508,1509,
&end
#
# 60 VAL MGX 99 MET HG- 7.00 (# 1924:20 Unique 3.75, 5.75 A)
&rst
ixpk= 1924, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 885, 886, 887, 889, 890, 891,
igr2=1508,1509,
&end
#
# 120 LEU MDX 99 MET HG- 5.50 (# 1925:20 Unique 4.17, 6.79 A)
&rst
ixpk= 1925, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1854,1855,1856,1858,1859,1860,
igr2=1508,1509,
&end
#
# 102 GLN HG- 99 MET HG- 4.50 (# 1926:20 Unique 2.98, 4.53 A)
&rst
ixpk= 1926, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1548,1549,
igr2=1508,1509,
&end
#
# 0 AMB 20-2:1928 0 AMB 20-1:1928 4.50 (# 1928:20 Double Ambig)
&rst
ixpk= 1928, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1518,1788,1792,
igr2=1508,1509,1508,1509,
&end
#
# 99 MET HA 99 MET HG+ 4.50 (# 1929:20 Unique 2.42, 2.64 A)
&rst
ixpk= 1929, nxpk= 20, iat=1503, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1508,1509,
&end
#
# 102 GLN HG- 99 MET HG+ 4.50 (# 1930:20 Unique 2.98, 4.53 A)
&rst
ixpk= 1930, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1548,1549,
igr2=1508,1509,
&end
#
# 99 MET HB- 99 MET HG+ 3.50 (# 1931:20 Unique 2.32, 2.75 A)
&rst
ixpk= 1931, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1505,1506,
igr2=1508,1509,
&end
#
# 36 LEU MDX 104 MET HG- 5.50 (# 1933:20 Unique 2.42, 5.00 A)
&rst
ixpk= 1933, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 570, 571, 572, 574, 575, 576,
igr2=1587,1588,
&end
#
# 0 AMB 20-2:1934 104 MET HG- 4.50 (# 1934:20 Single Ambig)
&rst
ixpk= 1934, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1580, 879,
igr2=1587,1588,
&end
#
# 104 MET HA 104 MET HG- 3.50 (# 1935:20 Unique 2.45, 3.02 A)
&rst
ixpk= 1935, nxpk= 20, iat=1582, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1587,1588,
&end
#
# 104 MET HB+ 104 MET HG- 3.50 (# 1940:20 Unique 2.35, 2.76 A)
&rst
ixpk= 1940, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1584,1585,
igr2=1587,1588,
&end
#
# 36 LEU MDY 104 MET HG- 7.00 (# 1941:20 Unique 2.42, 5.00 A)
&rst
ixpk= 1941, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 570, 571, 572, 574, 575, 576,
igr2=1587,1588,
&end
#
# 0 AMB 20-2:1942 0 AMB 20-1:1942 5.50 (# 1942:20 Double Ambig)
&rst
ixpk= 1942, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1580, 879,
igr2=1587,1588,1587,1588,
&end
#
# 104 MET HB+ 104 MET HG+ 3.50 (# 1943:20 Unique 2.35, 2.76 A)
&rst
ixpk= 1943, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1584,1585,
igr2=1587,1588,
&end
#
# 36 LEU MDX 104 MET HG+ 4.50 (# 1944:20 Unique 2.42, 5.00 A)
&rst
ixpk= 1944, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 570, 571, 572, 574, 575, 576,
igr2=1587,1588,
&end
#
# 109 VAL HA 109 VAL HB 3.50 (# 1945:20 Unique 2.36, 2.76 A)
&rst
ixpk= 1945, nxpk= 20, iat=1672,1674, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 109 VAL MGY 109 VAL HB 2.80 (# 1948:20 Unique 2.41, 2.66 A)
&rst
ixpk= 1948, nxpk= 20, iat= -1,1674, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1676,1677,1678,1680,1681,1682,
&end
#
# 50 VAL HA 50 VAL HB 3.50 (# 1950:20 Unique 2.38, 2.52 A)
&rst
ixpk= 1950, nxpk= 20, iat= 738, 740, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:1951 50 VAL HB 2.80 (# 1951:20 Single Ambig)
&rst
ixpk= 1951, nxpk= 20, iat= -1, 740, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 742, 743, 744, 746, 747, 748, 742, 743, 744, 746,
747, 748,
&end
#
# 97 LYS HN 97 LYS HB- 3.50 (# 1952:20 Unique 2.25, 2.95 A)
&rst
ixpk= 1952, nxpk= 20, iat=1464, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1468,1469,
&end
#
# 98 GLU HN 97 LYS HB- 4.50 (# 1953:20 Unique 2.85, 3.39 A)
&rst
ixpk= 1953, nxpk= 20, iat=1486, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1468,1469,
&end
#
# 94 SER HA 97 LYS HB- 3.50 (# 1954:20 Unique 2.65, 3.65 A)
&rst
ixpk= 1954, nxpk= 20, iat=1434, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1468,1469,
&end
#
# 97 LYS HG- 97 LYS HB- 3.50 (# 1955:20 Unique 2.40, 2.78 A)
&rst
ixpk= 1955, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1471,1472,
igr2=1468,1469,
&end
#
# 97 LYS HA 97 LYS HB- 3.50 (# 1956:20 Unique 2.49, 2.81 A)
&rst
ixpk= 1956, nxpk= 20, iat=1466, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1468,1469,
&end
#
# 9 LYS HA 0 AMB 20-1:1957 3.50 (# 1957:20 Single Ambig)
&rst
ixpk= 1957, nxpk= 20, iat= 121, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 123, 124, 123, 124,
&end
#
# 0 AMB 20-2:1958 0 AMB 20-1:1958 4.50 (# 1958:20 Double Ambig)
&rst
ixpk= 1958, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 142, 143, 142, 143,
igr2= 123, 124, 123, 124,
&end
#
# 9 LYS HN 0 AMB 20-1:1959 4.50 (# 1959:20 Single Ambig)
&rst
ixpk= 1959, nxpk= 20, iat= 119, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 123, 124, 123, 124,
&end
#
# 9 LYS HN 0 AMB 20-1:1960 4.50 (# 1960:20 Single Ambig)
&rst
ixpk= 1960, nxpk= 20, iat= 119, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 123, 124, 123, 124,
&end
#
# 88 PRO HG- 88 PRO HB+ 3.50 (# 1961:20 Unique 2.36, 2.63 A)
&rst
ixpk= 1961, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1337,1338,
igr2=1340,1341,
&end
#
# 84 TYR HN 83 GLU HB+ 4.50 (# 1964:20 Unique 2.70, 3.78 A)
&rst
ixpk= 1964, nxpk= 20, iat=1257, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1246,1247,
&end
#
# 83 GLU HN 83 GLU HB+ 3.50 (# 1965:20 Unique 2.41, 3.07 A)
&rst
ixpk= 1965, nxpk= 20, iat=1242, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1246,1247,
&end
#
# 84 TYR HE 83 GLU HB+ 4.50 (# 1966:20 Unique 2.65, 4.87 A)
&rst
ixpk= 1966, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1267,1272,
igr2=1246,1247,
&end
#
# 84 TYR HH 83 GLU HB+ 4.50 (# 1967:20 Unique 4.11, 5.41 A)
&rst
ixpk= 1967, nxpk= 20, iat=1270, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1246,1247,
&end
#
# 80 LEU HA 83 GLU HB+ 5.50 (# 1969:20 Unique 2.41, 4.43 A)
&rst
ixpk= 1969, nxpk= 20, iat=1196, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1246,1247,
&end
#
# 83 GLU HA 83 GLU HB+ 3.50 (# 1970:20 Unique 2.41, 2.75 A)
&rst
ixpk= 1970, nxpk= 20, iat=1244, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1246,1247,
&end
#
# 83 GLU HG+ 83 GLU HB+ 2.80 (# 1971:20 Unique 2.34, 2.62 A)
&rst
ixpk= 1971, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1249,1250,
igr2=1246,1247,
&end
#
# 0 AMB 20-2:1972 0 AMB 20-1:1972 4.50 (# 1972:20 Double Ambig)
&rst
ixpk= 1972, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1=1203,1204,1205,1207,1208,1209,1203,1204,1205,1207,
1208,1209,
igr2=1246,1247,1246,1247,
&end
#
# 89 VAL HN 88 PRO HB- 5.50 (# 1975:20 Unique 3.59, 4.17 A)
&rst
ixpk= 1975, nxpk= 20, iat=1347, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1340,1341,
&end
#
# 91 VAL HN 88 PRO HB- 5.50 (# 1976:20 Unique 3.07, 4.12 A)
&rst
ixpk= 1976, nxpk= 20, iat=1378, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1340,1341,
&end
#
# 88 PRO HA 88 PRO HB- 3.50 (# 1977:20 Unique 2.29, 2.54 A)
&rst
ixpk= 1977, nxpk= 20, iat=1343, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1340,1341,
&end
#
# 0 AMB 20-2:1979 88 PRO HB- 2.80 (# 1979:20 Single Ambig)
&rst
ixpk= 1979, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1337,1338,1382,
igr2=1340,1341,
&end
#
# 88 PRO HG- 88 PRO HB- 2.80 (# 1980:20 Unique 2.36, 2.63 A)
&rst
ixpk= 1980, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1337,1338,
igr2=1340,1341,
&end
#
# 0 AMB 20-2:1982 88 PRO HB- 4.50 (# 1982:20 Single Ambig)
&rst
ixpk= 1982, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1384,1385,1386,1388,1389,1390,1923,1924,
igr2=1340,1341,
&end
#
# 104 MET ME 104 MET HG- 3.50 (# 1985:20 Unique 2.42, 3.29 A)
&rst
ixpk= 1985, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1591,1592,1593,
igr2=1587,1588,
&end
#
# 22 GLU HA 22 GLU HB- 4.50 (# 1986:20 Unique 2.40, 2.74 A)
&rst
ixpk= 1986, nxpk= 20, iat= 339, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 341, 342,
&end
#
# 22 GLU HN 22 GLU HB- 5.50 (# 1988:20 Unique 2.24, 3.17 A)
&rst
ixpk= 1988, nxpk= 20, iat= 337, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 341, 342,
&end
#
# 62 ARG HA 62 ARG HB- 5.50 (# 1992:20 Unique 2.32, 2.74 A)
&rst
ixpk= 1992, nxpk= 20, iat= 919, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 921, 922,
&end
#
# 10 PRO HD- 0 AMB 20-1:1993 3.50 (# 1993:20 Single Ambig)
&rst
ixpk= 1993, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 142, 143,
igr2= 123, 124, 123, 124,
&end
#
# 0 AMB 20-2:1994 0 AMB 20-1:1994 2.80 (# 1994:20 Double Ambig)
&rst
ixpk= 1994, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 126, 127, 126, 127,
igr2= 123, 124, 123, 124,
&end
#
# 91 VAL HN 88 PRO HB+ 5.50 (# 1995:20 Unique 3.07, 4.12 A)
&rst
ixpk= 1995, nxpk= 20, iat=1378, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1340,1341,
&end
#
# 88 PRO HA 88 PRO HB+ 4.50 (# 1996:20 Unique 2.29, 2.54 A)
&rst
ixpk= 1996, nxpk= 20, iat=1343, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1340,1341,
&end
#
# 0 AMB 20-2:1998 0 AMB 20-1:1998 3.50 (# 1998:20 Double Ambig)
&rst
ixpk= 1998, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1337,1338,1382,
igr2=1340,1341,1340,1341,
&end
#
# 0 AMB 20-2:1999 0 AMB 20-1:1999 5.50 (# 1999:20 Double Ambig)
&rst
ixpk= 1999, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.80, r4=10.55,
igr1=1384,1385,1386,1388,1389,1390,1923,1924,
igr2=1340,1341,1340,1341,
&end
#
# 0 AMB 20-2:2001 68 VAL HB 5.50 (# 2001:20 Single Ambig)
&rst
ixpk= 2001, nxpk= 20, iat= -1,1030, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1046, 960, 961,
&end
#
# 0 AMB 20-2:2002 68 VAL HB 2.80 (# 2002:20 Single Ambig)
&rst
ixpk= 2002, nxpk= 20, iat= -1,1030, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
igr1= 240, 241, 242,1032,1033,1034,1036,1037,1038,1032,
1033,1034,1036,1037,1038,
&end
#
# 22 GLU HA 22 GLU HB+ 5.50 (# 2003:20 Unique 2.40, 2.74 A)
&rst
ixpk= 2003, nxpk= 20, iat= 339, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 341, 342,
&end
#
# 22 GLU HG+ 22 GLU HB+ 5.50 (# 2004:20 Unique 2.28, 2.73 A)
&rst
ixpk= 2004, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 344, 345,
igr2= 341, 342,
&end
#
# 100 VAL MGX 62 ARG HB+ 5.50 (# 2006:20 Unique 2.44, 5.01 A)
&rst
ixpk= 2006, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1524,1525,1526,1528,1529,1530,
igr2= 921, 922,
&end
#
# 0 AMB 20-2:2015 0 AMB 20-1:2015 2.80 (# 2015:20 Double Ambig)
&rst
ixpk= 2015, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 614, 675,
igr2= 611, 612, 672, 673,
&end
#
# 0 AMB 20-2:2016 0 AMB 20-1:2016 4.50 (# 2016:20 Double Ambig)
&rst
ixpk= 2016, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 666, 667, 605, 606,1644,1645,
igr2= 672, 673, 611, 612,
&end
#
# 0 AMB 20-2:2023 0 AMB 20-1:2023 4.50 (# 2023:20 Double Ambig)
&rst
ixpk= 2023, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 679,1394,
igr2= 672, 673,1382,
&end
#
# 91 VAL HN 91 VAL HB 3.50 (# 2024:20 Unique 2.34, 2.48 A)
&rst
ixpk= 2024, nxpk= 20, iat=1378,1382, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:2025 0 AMB 20-1:2025 4.50 (# 2025:20 Double Ambig)
&rst
ixpk= 2025, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 729, 730,1380,
igr2= 672, 673,1382,
&end
#
# 0 AMB 20-2:2027 91 VAL HB 2.80 (# 2027:20 Single Ambig)
&rst
ixpk= 2027, nxpk= 20, iat= -1,1382, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1=1384,1385,1386,1388,1389,1390,1407,1408,1409,
&end
#
# 62 ARG HN 62 ARG HB- 5.50 (# 2031:20 Unique 2.36, 2.81 A)
&rst
ixpk= 2031, nxpk= 20, iat= 917, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 921, 922,
&end
#
# 0 AMB 20-2:2032 62 ARG HB- 4.50 (# 2032:20 Single Ambig)
&rst
ixpk= 2032, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 927, 928, 927, 928,
igr2= 921, 922,
&end
#
# 62 ARG HG+ 62 ARG HB- 4.50 (# 2034:20 Unique 2.44, 2.77 A)
&rst
ixpk= 2034, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 924, 925,
igr2= 921, 922,
&end
#
# 86 PRO HA 86 PRO HB- 2.80 (# 2035:20 Unique 2.26, 2.55 A)
&rst
ixpk= 2035, nxpk= 20, iat=1305, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1302,1303,
&end
#
# 39 PRO HD- 39 PRO HB+ 5.50 (# 2036:20 Unique 2.75, 3.66 A)
&rst
ixpk= 2036, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 605, 606,
igr2= 611, 612,
&end
#
# 76 VAL HN 76 VAL HB 4.50 (# 2042:20 Unique 2.33, 3.34 A)
&rst
ixpk= 2042, nxpk= 20, iat=1139,1143, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 69 VAL HN 69 VAL HB 3.50 (# 2043:20 Unique 2.29, 2.58 A)
&rst
ixpk= 2043, nxpk= 20, iat=1042,1046, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 76 VAL MGY 76 VAL HB 2.80 (# 2044:20 Unique 2.38, 2.65 A)
&rst
ixpk= 2044, nxpk= 20, iat= -1,1143, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1145,1146,1147,1149,1150,1151,
&end
#
# 70 GLY HN 69 VAL HB 4.50 (# 2045:20 Unique 3.04, 3.36 A)
&rst
ixpk= 2045, nxpk= 20, iat=1058,1046, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 66 GLU HA 69 VAL HB 4.50 (# 2046:20 Unique 2.52, 3.14 A)
&rst
ixpk= 2046, nxpk= 20, iat=1001,1046, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 69 VAL HA 69 VAL HB 4.50 (# 2047:20 Unique 2.33, 2.89 A)
&rst
ixpk= 2047, nxpk= 20, iat=1044,1046, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 69 VAL MGY 69 VAL HB 3.50 (# 2048:20 Unique 2.36, 2.66 A)
&rst
ixpk= 2048, nxpk= 20, iat= -1,1046, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1048,1049,1050,1052,1053,1054,
&end
#
# 0 AMB 20-2:2049 69 VAL HB 3.50 (# 2049:20 Single Ambig)
&rst
ixpk= 2049, nxpk= 20, iat= -1,1046, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1048,1049,1050,1052,1053,1054,1032,1033,1034,1036,
1037,1038,
&end
#
# 43 PRO HA 43 PRO HB+ 3.50 (# 2051:20 Unique 2.31, 2.68 A)
&rst
ixpk= 2051, nxpk= 20, iat= 675, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 672, 673,
&end
#
# 69 VAL HN 68 VAL HB 4.50 (# 2053:20 Unique 2.27, 2.44 A)
&rst
ixpk= 2053, nxpk= 20, iat=1042,1030, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 68 VAL HN 68 VAL HB 3.50 (# 2054:20 Unique 2.35, 2.52 A)
&rst
ixpk= 2054, nxpk= 20, iat=1026,1030, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 68 VAL HA 68 VAL HB 4.50 (# 2055:20 Unique 2.58, 3.01 A)
&rst
ixpk= 2055, nxpk= 20, iat=1028,1030, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 62 ARG HA 62 ARG HB+ 5.50 (# 2056:20 Unique 2.32, 2.74 A)
&rst
ixpk= 2056, nxpk= 20, iat= 919, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 921, 922,
&end
#
# 0 AMB 20-2:2057 0 AMB 20-1:2057 5.50 (# 2057:20 Double Ambig)
&rst
ixpk= 2057, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 927, 928, 927, 928,
igr2= 921, 922, 921, 922,
&end
#
# 62 ARG HN 62 ARG HB+ 5.50 (# 2058:20 Unique 2.36, 2.81 A)
&rst
ixpk= 2058, nxpk= 20, iat= 917, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 921, 922,
&end
#
# 15 GLU HG- 15 GLU HB+ 5.50 (# 2061:20 Unique 2.36, 2.77 A)
&rst
ixpk= 2061, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 219, 220,
igr2= 216, 217,
&end
#
# 90 GLU HN 89 VAL HB 4.50 (# 2069:20 Unique 2.47, 3.10 A)
&rst
ixpk= 2069, nxpk= 20, iat=1363,1351, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 89 VAL HN 89 VAL HB 3.50 (# 2070:20 Unique 2.25, 2.41 A)
&rst
ixpk= 2070, nxpk= 20, iat=1347,1351, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 89 VAL HA 89 VAL HB 4.50 (# 2071:20 Unique 2.33, 2.84 A)
&rst
ixpk= 2071, nxpk= 20, iat=1349,1351, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:2072 0 AMB 20-1:2072 2.80 (# 2072:20 Double Ambig)
&rst
ixpk= 2072, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1353,1354,1355,1357,1358,1359,1524,1525,1526,1528,
1529,1530,
igr2=1351,1522,
&end
#
# 89 VAL MGY 89 VAL HB 2.80 (# 2073:20 Unique 2.39, 2.66 A)
&rst
ixpk= 2073, nxpk= 20, iat= -1,1351, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1353,1354,1355,1357,1358,1359,
&end
#
# 88 PRO HA 89 VAL HB 4.50 (# 2074:20 Unique 4.30, 4.47 A)
&rst
ixpk= 2074, nxpk= 20, iat=1343,1351, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 87 ARG HN 86 PRO HB- 5.50 (# 2075:20 Unique 3.30, 4.33 A)
&rst
ixpk= 2075, nxpk= 20, iat=1309, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1302,1303,
&end
#
# 0 AMB 20-2:2076 86 PRO HB- 4.50 (# 2076:20 Single Ambig)
&rst
ixpk= 2076, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1296,1297,1334,1335,
igr2=1302,1303,
&end
#
# 0 AMB 20-2:2077 86 PRO HB- 5.50 (# 2077:20 Single Ambig)
&rst
ixpk= 2077, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.70, r4=10.45,
igr1=1353,1354,1355,1357,1358,1359,1407,1408,1409,1384,
1385,1386,1388,1389,1390,
igr2=1302,1303,
&end
#
# 0 AMB 20-2:2079 0 AMB 20-1:2079 5.50 (# 2079:20 Double Ambig)
&rst
ixpk= 2079, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 214,1159,1160,
igr2= 216, 217, 216, 217,
&end
#
# 15 GLU HN 15 GLU HB+ 5.50 (# 2081:20 Unique 2.21, 2.87 A)
&rst
ixpk= 2081, nxpk= 20, iat= 212, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 216, 217,
&end
#
# 15 GLU HN 15 GLU HB- 5.50 (# 2085:20 Unique 2.21, 2.87 A)
&rst
ixpk= 2085, nxpk= 20, iat= 212, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 216, 217,
&end
#
# 0 AMB 20-2:2086 15 GLU HB- 5.50 (# 2086:20 Single Ambig)
&rst
ixpk= 2086, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 214,1159,1160,
igr2= 216, 217,
&end
#
# 15 GLU HG+ 15 GLU HB- 5.50 (# 2088:20 Unique 2.36, 2.77 A)
&rst
ixpk= 2088, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 219, 220,
igr2= 216, 217,
&end
#
# 101 GLY HN 100 VAL HB 5.50 (# 2089:20 Unique 4.16, 4.30 A)
&rst
ixpk= 2089, nxpk= 20, iat=1534,1522, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 99 MET HN 100 VAL HB 5.50 (# 2090:20 Unique 4.69, 4.84 A)
&rst
ixpk= 2090, nxpk= 20, iat=1501,1522, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 100 VAL HN 100 VAL HB 3.50 (# 2091:20 Unique 2.33, 2.41 A)
&rst
ixpk= 2091, nxpk= 20, iat=1518,1522, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 100 VAL HA 100 VAL HB 4.50 (# 2092:20 Unique 3.02, 3.03 A)
&rst
ixpk= 2092, nxpk= 20, iat=1520,1522, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:2093 0 AMB 20-1:2093 2.80 (# 2093:20 Double Ambig)
&rst
ixpk= 2093, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1353,1354,1355,1357,1358,1359,1524,1525,1526,1528,
1529,1530,
igr2=1351,1522,
&end
#
# 100 VAL MGY 100 VAL HB 2.80 (# 2094:20 Unique 2.41, 2.67 A)
&rst
ixpk= 2094, nxpk= 20, iat= -1,1522, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1524,1525,1526,1528,1529,1530,
&end
#
# 0 AMB 20-2:2095 100 VAL HB 4.50 (# 2095:20 Single Ambig)
&rst
ixpk= 2095, nxpk= 20, iat= -1,1522, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 538, 539, 540, 885, 886, 887, 889, 890, 891,
&end
#
# 9 LYS HN 8 PRO HB- 4.50 (# 2099:20 Unique 2.63, 3.22 A)
&rst
ixpk= 2099, nxpk= 20, iat= 119, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 112, 113,
&end
#
# 8 PRO HA 8 PRO HB- 3.50 (# 2100:20 Unique 2.29, 2.51 A)
&rst
ixpk= 2100, nxpk= 20, iat= 115, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 112, 113,
&end
#
# 8 PRO HD- 8 PRO HB- 5.50 (# 2101:20 Unique 2.80, 3.70 A)
&rst
ixpk= 2101, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 106, 107,
igr2= 112, 113,
&end
#
# 0 AMB 20-2:2102 8 PRO HB- 5.50 (# 2102:20 Single Ambig)
&rst
ixpk= 2102, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 426, 427, 106, 107,
igr2= 112, 113,
&end
#
# 0 AMB 20-2:2104 8 PRO HB- 4.50 (# 2104:20 Single Ambig)
&rst
ixpk= 2104, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 203, 204, 109, 110,
igr2= 112, 113,
&end
#
# 8 PRO HG- 8 PRO HB- 5.50 (# 2105:20 Unique 2.36, 2.64 A)
&rst
ixpk= 2105, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 109, 110,
igr2= 112, 113,
&end
#
# 0 AMB 20-2:2107 8 PRO HB- 4.50 (# 2107:20 Single Ambig)
&rst
ixpk= 2107, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 206, 207, 208, 199, 200, 201,
igr2= 112, 113,
&end
#
# 9 LYS HN 8 PRO HB+ 4.50 (# 2109:20 Unique 2.63, 3.22 A)
&rst
ixpk= 2109, nxpk= 20, iat= 119, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 112, 113,
&end
#
# 27 TYR HD 8 PRO HB+ 5.50 (# 2110:20 Unique 2.22, 4.60 A)
&rst
ixpk= 2110, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 430, 439,
igr2= 112, 113,
&end
#
# 8 PRO HA 8 PRO HB+ 4.50 (# 2111:20 Unique 2.29, 2.51 A)
&rst
ixpk= 2111, nxpk= 20, iat= 115, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 112, 113,
&end
#
# 0 AMB 20-2:2112 0 AMB 20-1:2112 4.50 (# 2112:20 Double Ambig)
&rst
ixpk= 2112, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 426, 427, 106, 107,
igr2= 112, 113, 112, 113,
&end
#
# 0 AMB 20-2:2114 0 AMB 20-1:2114 4.50 (# 2114:20 Double Ambig)
&rst
ixpk= 2114, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 203, 204, 109, 110,
igr2= 112, 113, 112, 113,
&end
#
# 0 AMB 20-2:2115 0 AMB 20-1:2115 4.50 (# 2115:20 Double Ambig)
&rst
ixpk= 2115, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 206, 207, 208, 199, 200, 201,
igr2= 112, 113, 112, 113,
&end
#
# 8 PRO HD- 8 PRO HB+ 7.00 (# 2116:20 Unique 2.80, 3.70 A)
&rst
ixpk= 2116, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 106, 107,
igr2= 112, 113,
&end
#
# 8 PRO HG- 8 PRO HB+ 4.50 (# 2117:20 Unique 2.36, 2.64 A)
&rst
ixpk= 2117, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 109, 110,
igr2= 112, 113,
&end
#
# 0 AMB 20-2:2123 0 AMB 20-1:2123 5.50 (# 2123:20 Double Ambig)
&rst
ixpk= 2123, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1173,1174,1229,1230,
igr2=1313,1314,1313,1314,
&end
#
# 101 GLY HN 60 VAL HB 4.50 (# 2130:20 Unique 2.67, 2.81 A)
&rst
ixpk= 2130, nxpk= 20, iat=1534, 883, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 60 VAL HN 60 VAL HB 4.50 (# 2131:20 Unique 2.42, 2.50 A)
&rst
ixpk= 2131, nxpk= 20, iat= 879, 883, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 102 GLN HN 60 VAL HB 4.50 (# 2132:20 Unique 2.82, 2.92 A)
&rst
ixpk= 2132, nxpk= 20, iat=1541, 883, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 100 VAL HA 60 VAL HB 4.50 (# 2133:20 Unique 2.21, 2.32 A)
&rst
ixpk= 2133, nxpk= 20, iat=1520, 883, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 60 VAL MGX 60 VAL HB 3.50 (# 2134:20 Unique 2.41, 2.67 A)
&rst
ixpk= 2134, nxpk= 20, iat= -1, 883, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 885, 886, 887, 889, 890, 891,
&end
#
# 60 VAL MGY 60 VAL HB 3.50 (# 2135:20 Unique 2.41, 2.67 A)
&rst
ixpk= 2135, nxpk= 20, iat= -1, 883, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 885, 886, 887, 889, 890, 891,
&end
#
# 117 VAL MGY 117 VAL HB 3.50 (# 2136:20 Unique 2.36, 2.65 A)
&rst
ixpk= 2136, nxpk= 20, iat= -1,1802, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1804,1805,1806,1808,1809,1810,
&end
#
# 117 VAL MGX 117 VAL HB 3.50 (# 2137:20 Unique 2.36, 2.65 A)
&rst
ixpk= 2137, nxpk= 20, iat= -1,1802, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1804,1805,1806,1808,1809,1810,
&end
#
# 117 VAL HA 117 VAL HB 4.50 (# 2138:20 Unique 2.39, 2.49 A)
&rst
ixpk= 2138, nxpk= 20, iat=1800,1802, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:2140 0 AMB 20-1:2140 3.50 (# 2140:20 Double Ambig)
&rst
ixpk= 2140, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 631,1699,
igr2= 633, 634,1701,1702,
&end
#
# 41 GLU HG+ 41 GLU HB+ 2.80 (# 2141:20 Unique 2.18, 2.66 A)
&rst
ixpk= 2141, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 636, 637,
igr2= 633, 634,
&end
#
# 0 AMB 20-2:2143 0 AMB 20-1:2143 4.50 (# 2143:20 Double Ambig)
&rst
ixpk= 2143, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 631,1699,
igr2= 633, 634,1701,1702,
&end
#
# 41 GLU HG+ 41 GLU HB- 2.80 (# 2144:20 Unique 2.18, 2.66 A)
&rst
ixpk= 2144, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 636, 637,
igr2= 633, 634,
&end
#
# 0 AMB 20-2:2146 87 ARG HB- 5.50 (# 2146:20 Single Ambig)
&rst
ixpk= 2146, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1296,1297,1185,
igr2=1313,1314,
&end
#
# 0 AMB 20-2:2148 87 ARG HB- 7.00 (# 2148:20 Single Ambig)
&rst
ixpk= 2148, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
igr1=1173,1174,1229,1230,
igr2=1313,1314,
&end
#
# 0 AMB 20-2:2149 0 AMB 20-1:2149 5.50 (# 2149:20 Double Ambig)
&rst
ixpk= 2149, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1296,1297,1185,
igr2=1313,1314,1313,1314,
&end
#
# 89 VAL HA 87 ARG HB+ 7.00 (# 2150:20 Unique 4.23, 5.87 A)
&rst
ixpk= 2150, nxpk= 20, iat=1349, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1313,1314,
&end
#
# 116 PHE HN 115 HIS HB- 4.50 (# 2155:20 Unique 2.55, 3.32 A)
&rst
ixpk= 2155, nxpk= 20, iat=1778, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1765,1766,
&end
#
# 115 HIS HN 115 HIS HB- 4.50 (# 2156:20 Unique 2.33, 2.59 A)
&rst
ixpk= 2156, nxpk= 20, iat=1761, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1765,1766,
&end
#
# 115 HIS HN 114 GLU HB- 7.00 (# 2158:20 Unique 2.55, 3.22 A)
&rst
ixpk= 2158, nxpk= 20, iat=1761, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1750,1751,
&end
#
# 99 MET HA 98 GLU HB- 7.00 (# 2165:20 Unique 4.31, 4.52 A)
&rst
ixpk= 2165, nxpk= 20, iat=1503, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1490,1491,
&end
#
# 6 GLN HG+ 6 GLN HB- 2.80 (# 2166:20 Unique 2.24, 2.75 A)
&rst
ixpk= 2166, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 80, 81,
igr2= 77, 78,
&end
#
# 7 GLU HA 7 GLU HB- 4.50 (# 2168:20 Unique 2.50, 2.80 A)
&rst
ixpk= 2168, nxpk= 20, iat= 92, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 94, 95,
&end
#
# 6 GLN HA 6 GLN HB- 3.50 (# 2169:20 Unique 2.32, 2.71 A)
&rst
ixpk= 2169, nxpk= 20, iat= 75, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 77, 78,
&end
#
# 8 PRO HD- 7 GLU HB- 4.50 (# 2170:20 Unique 4.05, 4.66 A)
&rst
ixpk= 2170, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 106, 107,
igr2= 94, 95,
&end
#
# 8 PRO HD+ 7 GLU HB- 4.50 (# 2171:20 Unique 4.05, 4.66 A)
&rst
ixpk= 2171, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 106, 107,
igr2= 94, 95,
&end
#
# 0 AMB 20-2:2172 7 GLU HB- 2.80 (# 2172:20 Single Ambig)
&rst
ixpk= 2172, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 97, 98, 129, 130,
igr2= 94, 95,
&end
#
# 8 PRO HD- 0 AMB 20-1:2174 5.50 (# 2174:20 Single Ambig)
&rst
ixpk= 2174, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 106, 107,
igr2= 94, 95, 77, 78,
&end
#
# 7 GLU HN 0 AMB 20-1:2175 5.50 (# 2175:20 Single Ambig)
&rst
ixpk= 2175, nxpk= 20, iat= 90, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 77, 78, 94, 95,
&end
#
# 7 GLU HA 7 GLU HB+ 4.50 (# 2177:20 Unique 2.50, 2.80 A)
&rst
ixpk= 2177, nxpk= 20, iat= 92, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 94, 95,
&end
#
# 6 GLN HA 6 GLN HB+ 3.50 (# 2178:20 Unique 2.32, 2.71 A)
&rst
ixpk= 2178, nxpk= 20, iat= 75, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 77, 78,
&end
#
# 0 AMB 20-2:2179 0 AMB 20-1:2179 2.80 (# 2179:20 Double Ambig)
&rst
ixpk= 2179, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 97, 98, 129, 130,
igr2= 94, 95, 94, 95,
&end
#
# 6 GLN HG+ 6 GLN HB+ 2.80 (# 2180:20 Unique 2.24, 2.75 A)
&rst
ixpk= 2180, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 80, 81,
igr2= 77, 78,
&end
#
# 114 GLU HA 114 GLU HB- 4.50 (# 2181:20 Unique 2.49, 2.78 A)
&rst
ixpk= 2181, nxpk= 20, iat=1748, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1750,1751,
&end
#
# 114 GLU HG- 114 GLU HB- 5.50 (# 2182:20 Unique 2.35, 2.76 A)
&rst
ixpk= 2182, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1753,1754,
igr2=1750,1751,
&end
#
# 114 GLU HN 114 GLU HB- 5.50 (# 2183:20 Unique 2.37, 3.01 A)
&rst
ixpk= 2183, nxpk= 20, iat=1746, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1750,1751,
&end
#
# 114 GLU HG+ 114 GLU HB- 4.50 (# 2185:20 Unique 2.35, 2.76 A)
&rst
ixpk= 2185, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1753,1754,
igr2=1750,1751,
&end
#
# 114 GLU HG- 114 GLU HB- 5.50 (# 2186:20 Unique 2.35, 2.76 A)
&rst
ixpk= 2186, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1753,1754,
igr2=1750,1751,
&end
#
# 114 GLU HA 114 GLU HB+ 5.50 (# 2188:20 Unique 2.49, 2.78 A)
&rst
ixpk= 2188, nxpk= 20, iat=1748, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1750,1751,
&end
#
# 0 AMB 20-2:2191 0 AMB 20-1:2191 5.50 (# 2191:20 Double Ambig)
&rst
ixpk= 2191, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=1407,1408,1409, 183, 184, 185, 187, 188, 189,
igr2=1868,1869,1868,1869,
&end
#
# 114 GLU HN 114 GLU HB+ 5.50 (# 2192:20 Unique 2.37, 3.01 A)
&rst
ixpk= 2192, nxpk= 20, iat=1746, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1750,1751,
&end
#
# 18 ARG HA 18 ARG HB+ 4.50 (# 2193:20 Unique 2.45, 2.79 A)
&rst
ixpk= 2193, nxpk= 20, iat= 268, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 270, 271,
&end
#
# 18 ARG HG- 18 ARG HB+ 5.50 (# 2194:20 Unique 2.24, 2.71 A)
&rst
ixpk= 2194, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 273, 274,
igr2= 270, 271,
&end
#
# 83 GLU HN 82 HIS HB+ 5.50 (# 2204:20 Unique 2.93, 3.68 A)
&rst
ixpk= 2204, nxpk= 20, iat=1242, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1229,1230,
&end
#
# 82 HIS HA 82 HIS HB+ 2.80 (# 2206:20 Unique 2.42, 2.78 A)
&rst
ixpk= 2206, nxpk= 20, iat=1227, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1229,1230,
&end
#
# 0 AMB 20-2:2207 0 AMB 20-1:2207 5.50 (# 2207:20 Double Ambig)
&rst
ixpk= 2207, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1249,1250,1313,1314,
igr2=1229,1230,1229,1230,
&end
#
# 83 GLU HN 82 HIS HB- 5.50 (# 2209:20 Unique 2.93, 3.68 A)
&rst
ixpk= 2209, nxpk= 20, iat=1242, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1229,1230,
&end
#
# 77 ASN HD2- 82 HIS HB- 7.00 (# 2210:20 Unique 5.49, 8.74 A)
&rst
ixpk= 2210, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1164,1165,
igr2=1229,1230,
&end
#
# 82 HIS HA 82 HIS HB- 2.80 (# 2212:20 Unique 2.42, 2.78 A)
&rst
ixpk= 2212, nxpk= 20, iat=1227, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1229,1230,
&end
#
# 0 AMB 20-2:2213 82 HIS HB- 7.00 (# 2213:20 Single Ambig)
&rst
ixpk= 2213, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
igr1=1249,1250,1313,1314,
igr2=1229,1230,
&end
#
# 98 GLU HN 98 GLU HB- 2.80 (# 2240:20 Unique 2.25, 2.94 A)
&rst
ixpk= 2240, nxpk= 20, iat=1486, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1490,1491,
&end
#
# 98 GLU HG+ 98 GLU HB- 2.80 (# 2242:20 Unique 2.36, 2.69 A)
&rst
ixpk= 2242, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1493,1494,
igr2=1490,1491,
&end
#
# 99 MET HN 98 GLU HB- 4.50 (# 2243:20 Unique 2.81, 3.27 A)
&rst
ixpk= 2243, nxpk= 20, iat=1501, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1490,1491,
&end
#
# 98 GLU HA 98 GLU HB- 2.80 (# 2244:20 Unique 2.58, 2.82 A)
&rst
ixpk= 2244, nxpk= 20, iat=1488, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1490,1491,
&end
#
# 7 GLU HN 0 AMB 20-1:2246 5.50 (# 2246:20 Single Ambig)
&rst
ixpk= 2246, nxpk= 20, iat= 90, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 77, 78, 94, 95,
&end
#
# 0 AMB 20-2:2247 0 AMB 20-1:2247 4.50 (# 2247:20 Double Ambig)
&rst
ixpk= 2247, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 106, 107,1125,1126, 106, 107,
igr2= 94, 95, 77, 78, 77, 78,
&end
#
# 97 LYS HN 97 LYS HD+ 4.50 (# 2250:20 Unique 3.76, 4.71 A)
&rst
ixpk= 2250, nxpk= 20, iat=1464, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1474,1475,
&end
#
# 97 LYS HA 97 LYS HD+ 4.50 (# 2253:20 Unique 4.33, 4.54 A)
&rst
ixpk= 2253, nxpk= 20, iat=1466, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1474,1475,
&end
#
# 97 LYS HE- 97 LYS HD+ 3.50 (# 2254:20 Unique 2.44, 2.76 A)
&rst
ixpk= 2254, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1477,1478,
igr2=1474,1475,
&end
#
# 97 LYS HE+ 97 LYS HD+ 3.50 (# 2255:20 Unique 2.44, 2.76 A)
&rst
ixpk= 2255, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1477,1478,
igr2=1474,1475,
&end
#
# 97 LYS HB- 97 LYS HD+ 2.80 (# 2257:20 Unique 2.46, 3.24 A)
&rst
ixpk= 2257, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1468,1469,
igr2=1474,1475,
&end
#
# 97 LYS HG- 97 LYS HD+ 2.80 (# 2258:20 Unique 2.31, 2.63 A)
&rst
ixpk= 2258, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1471,1472,
igr2=1474,1475,
&end
#
# 93 ILE QG2 97 LYS HD+ 4.50 (# 2259:20 Unique 2.54, 4.80 A)
&rst
ixpk= 2259, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1419,1420,1421,
igr2=1474,1475,
&end
#
# 28 ILE QD1 97 LYS HD+ 5.50 (# 2260:20 Unique 3.22, 4.99 A)
&rst
ixpk= 2260, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 456, 457, 458,
igr2=1474,1475,
&end
#
# 85 GLN HA 85 GLN HB+ 3.50 (# 2269:20 Unique 2.19, 2.63 A)
&rst
ixpk= 2269, nxpk= 20, iat=1280, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1282,1283,
&end
#
# 86 PRO HD- 85 GLN HB+ 4.50 (# 2270:20 Unique 2.01, 3.79 A)
&rst
ixpk= 2270, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1296,1297,
igr2=1282,1283,
&end
#
# 67 ASP HN 64 ARG HB+ 5.50 (# 2272:20 Unique 2.42, 2.88 A)
&rst
ixpk= 2272, nxpk= 20, iat=1014, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 960, 961,
&end
#
# 64 ARG HN 64 ARG HB+ 5.50 (# 2273:20 Unique 2.24, 3.00 A)
&rst
ixpk= 2273, nxpk= 20, iat= 956, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 960, 961,
&end
#
# 64 ARG HA 64 ARG HB+ 5.50 (# 2274:20 Unique 2.41, 2.80 A)
&rst
ixpk= 2274, nxpk= 20, iat= 958, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 960, 961,
&end
#
# 67 ASP HN 64 ARG HB- 5.50 (# 2275:20 Unique 2.42, 2.88 A)
&rst
ixpk= 2275, nxpk= 20, iat=1014, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 960, 961,
&end
#
# 61 LYS HA 61 LYS HD+ 4.50 (# 2277:20 Unique 2.98, 4.63 A)
&rst
ixpk= 2277, nxpk= 20, iat= 897, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 905, 906,
&end
#
# 61 LYS HE+ 61 LYS HD+ 3.50 (# 2278:20 Unique 2.23, 2.66 A)
&rst
ixpk= 2278, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 908, 909,
igr2= 905, 906,
&end
#
# 61 LYS HG- 61 LYS HD+ 2.80 (# 2279:20 Unique 2.29, 2.64 A)
&rst
ixpk= 2279, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 902, 903,
igr2= 905, 906,
&end
#
# 37 ALA MB 61 LYS HD+ 3.50 (# 2282:20 Unique 2.22, 3.75 A)
&rst
ixpk= 2282, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 584, 585, 586,
igr2= 905, 906,
&end
#
# 73 CYS HN 72 CYS HB- 4.50 (# 2284:20 Unique 2.28, 3.70 A)
&rst
ixpk= 2284, nxpk= 20, iat=1083, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1076,1077,
&end
#
# 72 CYS HN 72 CYS HB- 5.50 (# 2285:20 Unique 2.41, 3.18 A)
&rst
ixpk= 2285, nxpk= 20, iat=1072, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1076,1077,
&end
#
# 18 ARG HA 72 CYS HB- 4.50 (# 2286:20 Unique 2.25, 4.01 A)
&rst
ixpk= 2286, nxpk= 20, iat= 268, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1076,1077,
&end
#
# 72 CYS HA 72 CYS HB- 4.50 (# 2287:20 Unique 2.39, 2.75 A)
&rst
ixpk= 2287, nxpk= 20, iat=1074, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1076,1077,
&end
#
# 16 ILE QG2 72 CYS HB- 4.50 (# 2289:20 Unique 2.10, 2.90 A)
&rst
ixpk= 2289, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 233, 234, 235,
igr2=1076,1077,
&end
#
# 73 CYS HN 72 CYS HB+ 7.00 (# 2292:20 Unique 2.28, 3.70 A)
&rst
ixpk= 2292, nxpk= 20, iat=1083, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1076,1077,
&end
#
# 72 CYS HN 72 CYS HB+ 4.50 (# 2293:20 Unique 2.41, 3.18 A)
&rst
ixpk= 2293, nxpk= 20, iat=1072, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1076,1077,
&end
#
# 16 ILE QG2 72 CYS HB+ 4.50 (# 2297:20 Unique 2.10, 2.90 A)
&rst
ixpk= 2297, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 233, 234, 235,
igr2=1076,1077,
&end
#
# 69 VAL MGY 72 CYS HB+ 5.50 (# 2298:20 Unique 4.02, 6.67 A)
&rst
ixpk= 2298, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1048,1049,1050,1052,1053,1054,
igr2=1076,1077,
&end
#
# 85 GLN HN 85 GLN HB+ 2.80 (# 2300:20 Unique 2.05, 3.21 A)
&rst
ixpk= 2300, nxpk= 20, iat=1278, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1282,1283,
&end
#
# 85 GLN HG+ 85 GLN HB+ 2.80 (# 2304:20 Unique 2.19, 2.63 A)
&rst
ixpk= 2304, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1285,1286,
igr2=1282,1283,
&end
#
# 0 AMB 20-2:2306 0 AMB 20-1:2306 3.50 (# 2306:20 Double Ambig)
&rst
ixpk= 2306, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1313,1314,1920,1921,
igr2=1282,1283,1282,1283,
&end
#
# 0 AMB 20-2:2308 66 GLU HB- 7.00 (# 2308:20 Single Ambig)
&rst
ixpk= 2308, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.89, r4=12.64,
igr1=1048,1049,1050,1052,1053,1054, 989, 990, 991, 993,
994, 995,
igr2=1003,1004,
&end
#
# 64 ARG HG- 64 ARG HB+ 3.50 (# 2309:20 Unique 2.28, 2.74 A)
&rst
ixpk= 2309, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 963, 964,
igr2= 960, 961,
&end
#
# 64 ARG HA 64 ARG HB- 5.50 (# 2310:20 Unique 2.41, 2.80 A)
&rst
ixpk= 2310, nxpk= 20, iat= 958, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 960, 961,
&end
#
# 62 ARG HA 34 ILE HG1+ 5.50 (# 2311:20 Unique 2.13, 2.61 A)
&rst
ixpk= 2311, nxpk= 20, iat= 919, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 535, 536,
&end
#
# 57 SER HA 105 LYS HD- 3.50 (# 2312:20 Unique 2.35, 4.05 A)
&rst
ixpk= 2312, nxpk= 20, iat= 845, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1607,1608,
&end
#
# 0 AMB 20-2:2314 0 AMB 20-1:2314 7.00 (# 2314:20 Double Ambig)
&rst
ixpk= 2314, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
igr1= 525, 544,
igr2= 535, 536, 535, 536,
&end
#
# 0 AMB 20-2:2315 105 LYS HD- 5.50 (# 2315:20 Single Ambig)
&rst
ixpk= 2315, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1640,1597,
igr2=1607,1608,
&end
#
# 34 ILE HA 34 ILE HG1+ 5.50 (# 2316:20 Unique 2.34, 2.53 A)
&rst
ixpk= 2316, nxpk= 20, iat= 527, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 535, 536,
&end
#
# 105 LYS HA 105 LYS HD- 4.50 (# 2317:20 Unique 2.16, 2.95 A)
&rst
ixpk= 2317, nxpk= 20, iat=1599, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1607,1608,
&end
#
# 0 AMB 20-2:2318 0 AMB 20-1:2318 5.50 (# 2318:20 Double Ambig)
&rst
ixpk= 2318, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1456, 958,
igr2= 535, 536, 535, 536,
&end
#
# 105 LYS HE+ 105 LYS HD- 2.80 (# 2319:20 Unique 2.30, 2.69 A)
&rst
ixpk= 2319, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1610,1611,
igr2=1607,1608,
&end
#
# 0 AMB 20-2:2322 0 AMB 20-1:2322 2.80 (# 2322:20 Double Ambig)
&rst
ixpk= 2322, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=1604,1605, 924, 925, 529,
igr2=1607,1608, 535, 536, 535, 536,
&end
#
# 34 ILE QG2 34 ILE HG1+ 3.50 (# 2324:20 Unique 2.50, 3.54 A)
&rst
ixpk= 2324, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 531, 532, 533,
igr2= 535, 536,
&end
#
# 0 AMB 20-2:2325 0 AMB 20-1:2325 3.50 (# 2325:20 Double Ambig)
&rst
ixpk= 2325, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 538, 539, 540, 449, 450, 451,
igr2= 535, 536, 535, 536,
&end
#
# 28 ILE QD1 34 ILE HG1+ 4.50 (# 2326:20 Unique 2.35, 3.93 A)
&rst
ixpk= 2326, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 456, 457, 458,
igr2= 535, 536,
&end
#
# 0 AMB 20-2:2330 0 AMB 20-1:2330 5.50 (# 2330:20 Double Ambig)
&rst
ixpk= 2330, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 582, 801,
igr2= 905, 906, 905, 906, 905, 906,
&end
#
# 59 GLU HB+ 61 LYS HD- 2.80 (# 2331:20 Unique 2.43, 4.04 A)
&rst
ixpk= 2331, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 868, 869,
igr2= 905, 906,
&end
#
# 0 AMB 20-2:2332 34 ILE HG1- 7.00 (# 2332:20 Single Ambig)
&rst
ixpk= 2332, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 525, 544,
igr2= 535, 536,
&end
#
# 62 ARG HA 34 ILE HG1- 5.50 (# 2333:20 Unique 2.13, 2.61 A)
&rst
ixpk= 2333, nxpk= 20, iat= 919, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 535, 536,
&end
#
# 34 ILE HA 34 ILE HG1- 4.50 (# 2334:20 Unique 2.34, 2.53 A)
&rst
ixpk= 2334, nxpk= 20, iat= 527, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 535, 536,
&end
#
# 34 ILE QG2 34 ILE HG1- 3.50 (# 2336:20 Unique 2.50, 3.54 A)
&rst
ixpk= 2336, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 531, 532, 533,
igr2= 535, 536,
&end
#
# 0 AMB 20-2:2337 34 ILE HG1- 3.50 (# 2337:20 Single Ambig)
&rst
ixpk= 2337, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 538, 539, 540, 449, 450, 451,
igr2= 535, 536,
&end
#
# 72 CYS HA 72 CYS HB+ 5.50 (# 2344:20 Unique 2.39, 2.75 A)
&rst
ixpk= 2344, nxpk= 20, iat=1074, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1076,1077,
&end
#
# 102 GLN HN 102 GLN HB- 3.50 (# 2349:20 Unique 2.37, 3.19 A)
&rst
ixpk= 2349, nxpk= 20, iat=1541, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1545,1546,
&end
#
# 102 GLN HA 102 GLN HB- 3.50 (# 2350:20 Unique 2.28, 2.66 A)
&rst
ixpk= 2350, nxpk= 20, iat=1543, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1545,1546,
&end
#
# 60 VAL MGY 102 GLN HB- 4.50 (# 2352:20 Unique 2.46, 5.75 A)
&rst
ixpk= 2352, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 885, 886, 887, 889, 890, 891,
igr2=1545,1546,
&end
#
# 91 VAL HA 90 GLU HB- 5.50 (# 2353:20 Unique 4.11, 4.68 A)
&rst
ixpk= 2353, nxpk= 20, iat=1380, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1367,1368,
&end
#
# 66 GLU HN 66 GLU HB- 3.50 (# 2354:20 Unique 2.43, 3.08 A)
&rst
ixpk= 2354, nxpk= 20, iat= 999, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1003,1004,
&end
#
# 0 AMB 20-2:2355 66 GLU HB- 7.00 (# 2355:20 Single Ambig)
&rst
ixpk= 2355, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1058,1026,
igr2=1003,1004,
&end
#
# 67 ASP HN 66 GLU HB- 4.50 (# 2356:20 Unique 3.91, 4.26 A)
&rst
ixpk= 2356, nxpk= 20, iat=1014, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1003,1004,
&end
#
# 66 GLU HA 66 GLU HB- 3.50 (# 2357:20 Unique 2.34, 2.45 A)
&rst
ixpk= 2357, nxpk= 20, iat=1001, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1003,1004,
&end
#
# 66 GLU HG+ 66 GLU HB- 2.80 (# 2358:20 Unique 2.30, 2.76 A)
&rst
ixpk= 2358, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1006,1007,
igr2=1003,1004,
&end
#
# 0 AMB 20-2:2359 66 GLU HB- 4.50 (# 2359:20 Single Ambig)
&rst
ixpk= 2359, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1048,1049,1050,1052,1053,1054,1032,1033,1034,1036,
1037,1038,1032,1033,1034,1036,1037,1038,
igr2=1003,1004,
&end
#
# 9 LYS HN 9 LYS HD+ 4.50 (# 2361:20 Unique 2.32, 3.68 A)
&rst
ixpk= 2361, nxpk= 20, iat= 119, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 129, 130,
&end
#
# 9 LYS HA 9 LYS HD+ 4.50 (# 2362:20 Unique 2.66, 3.65 A)
&rst
ixpk= 2362, nxpk= 20, iat= 121, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 129, 130,
&end
#
# 9 LYS HE+ 9 LYS HD+ 2.80 (# 2363:20 Unique 2.29, 2.71 A)
&rst
ixpk= 2363, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 132, 133,
igr2= 129, 130,
&end
#
# 9 LYS HG+ 9 LYS HD+ 2.80 (# 2364:20 Unique 2.39, 2.71 A)
&rst
ixpk= 2364, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 126, 127,
igr2= 129, 130,
&end
#
# 0 AMB 20-2:2365 0 AMB 20-1:2365 4.50 (# 2365:20 Double Ambig)
&rst
ixpk= 2365, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1580, 854, 879,
igr2=1568,1569,1568,1569,1568,1569,
&end
#
# 103 LYS HN 103 LYS HD+ 4.50 (# 2366:20 Unique 4.19, 4.97 A)
&rst
ixpk= 2366, nxpk= 20, iat=1558, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1568,1569,
&end
#
# 103 LYS HE+ 103 LYS HD+ 3.50 (# 2367:20 Unique 2.30, 2.65 A)
&rst
ixpk= 2367, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1571,1572,
igr2=1568,1569,
&end
#
# 103 LYS HA 103 LYS HD+ 4.50 (# 2368:20 Unique 2.30, 4.44 A)
&rst
ixpk= 2368, nxpk= 20, iat=1560, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1568,1569,
&end
#
# 59 GLU HA 103 LYS HD+ 5.50 (# 2369:20 Unique 2.77, 5.59 A)
&rst
ixpk= 2369, nxpk= 20, iat= 866, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1568,1569,
&end
#
# 103 LYS HG+ 103 LYS HD+ 2.80 (# 2370:20 Unique 2.35, 2.69 A)
&rst
ixpk= 2370, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1565,1566,
igr2=1568,1569,
&end
#
# 124 LYS HA 124 LYS HD+ 4.50 (# 2372:20 Unique 2.15, 3.00 A)
&rst
ixpk= 2372, nxpk= 20, iat=1918, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1926,1927,
&end
#
# 124 LYS HE+ 124 LYS HD+ 3.50 (# 2373:20 Unique 2.36, 2.73 A)
&rst
ixpk= 2373, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1929,1930,
igr2=1926,1927,
&end
#
# 124 LYS HG- 124 LYS HD+ 2.80 (# 2374:20 Unique 2.34, 2.70 A)
&rst
ixpk= 2374, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1923,1924,
igr2=1926,1927,
&end
#
# 124 LYS HB- 124 LYS HD+ 3.50 (# 2375:20 Unique 2.44, 3.46 A)
&rst
ixpk= 2375, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1920,1921,
igr2=1926,1927,
&end
#
# 9 LYS HA 9 LYS HD- 5.50 (# 2381:20 Unique 2.66, 3.65 A)
&rst
ixpk= 2381, nxpk= 20, iat= 121, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 129, 130,
&end
#
# 10 PRO HD+ 9 LYS HD- 4.50 (# 2382:20 Unique 4.34, 5.53 A)
&rst
ixpk= 2382, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 142, 143,
igr2= 129, 130,
&end
#
# 10 PRO HD- 9 LYS HD- 4.50 (# 2383:20 Unique 4.34, 5.53 A)
&rst
ixpk= 2383, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 142, 143,
igr2= 129, 130,
&end
#
# 7 GLU HB+ 9 LYS HD- 3.50 (# 2385:20 Unique 3.12, 4.86 A)
&rst
ixpk= 2385, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 94, 95,
igr2= 129, 130,
&end
#
# 0 AMB 20-2:2387 90 GLU HB- 5.50 (# 2387:20 Single Ambig)
&rst
ixpk= 2387, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1384,1385,1386,1388,1389,1390,1353,1354,1355,1357,
1358,1359,
igr2=1367,1368,
&end
#
# 90 GLU HN 90 GLU HB- 3.50 (# 2388:20 Unique 2.44, 3.10 A)
&rst
ixpk= 2388, nxpk= 20, iat=1363, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1367,1368,
&end
#
# 91 VAL HN 90 GLU HB- 4.50 (# 2389:20 Unique 2.73, 3.57 A)
&rst
ixpk= 2389, nxpk= 20, iat=1378, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1367,1368,
&end
#
# 90 GLU HA 90 GLU HB- 2.80 (# 2390:20 Unique 2.40, 2.66 A)
&rst
ixpk= 2390, nxpk= 20, iat=1365, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1367,1368,
&end
#
# 90 GLU HG+ 90 GLU HB- 2.80 (# 2391:20 Unique 2.24, 2.72 A)
&rst
ixpk= 2391, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1370,1371,
igr2=1367,1368,
&end
#
# 91 VAL MGX 90 GLU HB- 5.50 (# 2392:20 Unique 3.06, 6.12 A)
&rst
ixpk= 2392, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1384,1385,1386,1388,1389,1390,
igr2=1367,1368,
&end
#
# 10 PRO HD+ 9 LYS HD+ 4.50 (# 2393:20 Unique 4.34, 5.53 A)
&rst
ixpk= 2393, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 142, 143,
igr2= 129, 130,
&end
#
# 10 PRO HD- 9 LYS HD+ 4.50 (# 2394:20 Unique 4.34, 5.53 A)
&rst
ixpk= 2394, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 142, 143,
igr2= 129, 130,
&end
#
# 6 GLN HG+ 9 LYS HD+ 7.00 (# 2396:20 Unique 5.73, 6.89 A)
&rst
ixpk= 2396, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 80, 81,
igr2= 129, 130,
&end
#
# 0 AMB 20-2:2397 0 AMB 20-1:2397 4.50 (# 2397:20 Double Ambig)
&rst
ixpk= 2397, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1343,1311,
igr2=1337,1338,1337,1338,
&end
#
# 88 PRO HD+ 88 PRO HG+ 4.50 (# 2398:20 Unique 2.29, 2.60 A)
&rst
ixpk= 2398, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1334,1335,
igr2=1337,1338,
&end
#
# 88 PRO HD- 88 PRO HG+ 4.50 (# 2399:20 Unique 2.29, 2.60 A)
&rst
ixpk= 2399, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1334,1335,
igr2=1337,1338,
&end
#
# 88 PRO HB- 88 PRO HG+ 4.50 (# 2400:20 Unique 2.36, 2.63 A)
&rst
ixpk= 2400, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1340,1341,
igr2=1337,1338,
&end
#
# 0 AMB 20-2:2402 0 AMB 20-1:2402 4.50 (# 2402:20 Double Ambig)
&rst
ixpk= 2402, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.02, r4= 8.77,
igr1=1923,1924,1384,1385,1386,1388,1389,1390,
igr2=1337,1338,1337,1338,
&end
#
# 88 PRO HA 88 PRO HG- 4.50 (# 2403:20 Unique 2.91, 3.92 A)
&rst
ixpk= 2403, nxpk= 20, iat=1343, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1337,1338,
&end
#
# 88 PRO HD- 88 PRO HG- 4.50 (# 2404:20 Unique 2.29, 2.60 A)
&rst
ixpk= 2404, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1334,1335,
igr2=1337,1338,
&end
#
# 0 AMB 20-2:2405 88 PRO HG- 5.50 (# 2405:20 Single Ambig)
&rst
ixpk= 2405, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1923,1924,1384,1385,1386,1388,1389,1390,
igr2=1337,1338,
&end
#
# 0 AMB 20-2:2407 0 AMB 20-1:2407 3.50 (# 2407:20 Double Ambig)
&rst
ixpk= 2407, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1417,1398,
igr2=1423,1424,1423,1424,
&end
#
# 121 ARG HA 121 ARG HG+ 4.50 (# 2408:20 Unique 2.46, 3.53 A)
&rst
ixpk= 2408, nxpk= 20, iat=1866, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1871,1872,
&end
#
# 0 AMB 20-2:2411 0 AMB 20-1:2411 3.50 (# 2411:20 Double Ambig)
&rst
ixpk= 2411, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1=1203,1204,1205,1207,1208,1209,1203,1204,1205,1207,
1208,1209,
igr2=1871,1872,1871,1872,
&end
#
# 0 AMB 20-2:2418 121 ARG HG- 5.50 (# 2418:20 Single Ambig)
&rst
ixpk= 2418, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
igr1=1868,1869,1820,1821,1822,
igr2=1871,1872,
&end
#
# 73 CYS HN 73 CYS HB+ 3.50 (# 2419:20 Unique 2.40, 3.06 A)
&rst
ixpk= 2419, nxpk= 20, iat=1083, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1087,1088,
&end
#
# 74 TYR HN 73 CYS HB+ 4.50 (# 2420:20 Unique 2.56, 3.29 A)
&rst
ixpk= 2420, nxpk= 20, iat=1094, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1087,1088,
&end
#
# 73 CYS HA 73 CYS HB+ 3.50 (# 2421:20 Unique 2.44, 2.76 A)
&rst
ixpk= 2421, nxpk= 20, iat=1085, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1087,1088,
&end
#
# 17 PHE HB- 73 CYS HB+ 2.80 (# 2422:20 Unique 2.12, 3.77 A)
&rst
ixpk= 2422, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 250, 251,
igr2=1087,1088,
&end
#
# 93 ILE HN 93 ILE HG1+ 4.50 (# 2427:20 Unique 2.10, 2.94 A)
&rst
ixpk= 2427, nxpk= 20, iat=1413, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1423,1424,
&end
#
# 93 ILE HA 93 ILE HG1+ 4.50 (# 2428:20 Unique 2.46, 3.05 A)
&rst
ixpk= 2428, nxpk= 20, iat=1415, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1423,1424,
&end
#
# 0 AMB 20-2:2430 0 AMB 20-1:2430 3.50 (# 2430:20 Double Ambig)
&rst
ixpk= 2430, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1419,1420,1421,1353,1354,1355,1357,1358,1359,
igr2=1423,1424,1423,1424,
&end
#
# 0 AMB 20-2:2431 0 AMB 20-1:2431 2.80 (# 2431:20 Double Ambig)
&rst
ixpk= 2431, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 449, 450, 451,1426,1427,1428,
igr2=1423,1424,1423,1424,
&end
#
# 13 LEU MDX 121 ARG HG+ 4.50 (# 2435:20 Unique 2.98, 6.57 A)
&rst
ixpk= 2435, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 183, 184, 185, 187, 188, 189,
igr2=1871,1872,
&end
#
# 93 ILE HA 93 ILE HG1- 4.50 (# 2436:20 Unique 2.46, 3.05 A)
&rst
ixpk= 2436, nxpk= 20, iat=1415, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1423,1424,
&end
#
# 0 AMB 20-2:2437 93 ILE HG1- 3.50 (# 2437:20 Single Ambig)
&rst
ixpk= 2437, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1419,1420,1421,1353,1354,1355,1357,1358,1359,
igr2=1423,1424,
&end
#
# 0 AMB 20-2:2438 93 ILE HG1- 2.80 (# 2438:20 Single Ambig)
&rst
ixpk= 2438, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 449, 450, 451,1426,1427,1428,
igr2=1423,1424,
&end
#
# 93 ILE HN 93 ILE HG1- 4.50 (# 2439:20 Unique 2.10, 2.94 A)
&rst
ixpk= 2439, nxpk= 20, iat=1413, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1423,1424,
&end
#
# 0 AMB 20-2:2440 93 ILE HG1- 4.50 (# 2440:20 Single Ambig)
&rst
ixpk= 2440, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1417,1398,
igr2=1423,1424,
&end
#
# 17 PHE HD 73 CYS HB+ 5.50 (# 2444:20 Unique 2.30, 5.15 A)
&rst
ixpk= 2444, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 254, 262,
igr2=1087,1088,
&end
#
# 64 ARG HN 64 ARG HG+ 4.50 (# 2445:20 Unique 2.32, 3.33 A)
&rst
ixpk= 2445, nxpk= 20, iat= 956, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 963, 964,
&end
#
# 32 TYR HD 64 ARG HG+ 5.50 (# 2446:20 Unique 3.24, 5.19 A)
&rst
ixpk= 2446, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 496, 505,
igr2= 963, 964,
&end
#
# 63 GLU HA 64 ARG HG+ 5.50 (# 2448:20 Unique 3.65, 4.79 A)
&rst
ixpk= 2448, nxpk= 20, iat= 943, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 963, 964,
&end
#
# 18 ARG HA 18 ARG HG+ 3.50 (# 2449:20 Unique 2.21, 2.94 A)
&rst
ixpk= 2449, nxpk= 20, iat= 268, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 273, 274,
&end
#
# 18 ARG HD- 18 ARG HG+ 5.50 (# 2450:20 Unique 2.24, 2.65 A)
&rst
ixpk= 2450, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 276, 277,
igr2= 273, 274,
&end
#
# 0 AMB 20-2:2453 0 AMB 20-1:2453 4.50 (# 2453:20 Double Ambig)
&rst
ixpk= 2453, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 270, 271, 233, 234, 235,
igr2= 273, 274, 273, 274,
&end
#
# 16 ILE HN 16 ILE HG1+ 5.50 (# 2454:20 Unique 2.59, 3.36 A)
&rst
ixpk= 2454, nxpk= 20, iat= 227, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 237, 238,
&end
#
# 0 AMB 20-2:2455 0 AMB 20-1:2455 5.50 (# 2455:20 Double Ambig)
&rst
ixpk= 2455, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1098,1099,1098,1099,
igr2= 237, 238, 237, 238,
&end
#
# 18 ARG HA 18 ARG HG- 3.50 (# 2458:20 Unique 2.21, 2.94 A)
&rst
ixpk= 2458, nxpk= 20, iat= 268, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 273, 274,
&end
#
# 18 ARG HD- 18 ARG HG- 7.00 (# 2459:20 Unique 2.24, 2.65 A)
&rst
ixpk= 2459, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 276, 277,
igr2= 273, 274,
&end
#
# 0 AMB 20-2:2460 0 AMB 20-1:2460 7.00 (# 2460:20 Double Ambig)
&rst
ixpk= 2460, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
igr1= 941, 352,
igr2= 924, 925, 273, 274,
&end
#
# 64 ARG HN 64 ARG HG- 4.50 (# 2461:20 Unique 2.32, 3.33 A)
&rst
ixpk= 2461, nxpk= 20, iat= 956, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 963, 964,
&end
#
# 64 ARG HD- 64 ARG HG- 4.50 (# 2462:20 Unique 2.30, 2.64 A)
&rst
ixpk= 2462, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 966, 967,
igr2= 963, 964,
&end
#
# 32 TYR HD 64 ARG HG- 5.50 (# 2464:20 Unique 3.24, 5.19 A)
&rst
ixpk= 2464, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 496, 505,
igr2= 963, 964,
&end
#
# 63 GLU HA 64 ARG HG- 7.00 (# 2465:20 Unique 3.65, 4.79 A)
&rst
ixpk= 2465, nxpk= 20, iat= 943, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 963, 964,
&end
#
# 64 ARG HA 64 ARG HG- 4.50 (# 2466:20 Unique 2.31, 2.83 A)
&rst
ixpk= 2466, nxpk= 20, iat= 958, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 963, 964,
&end
#
# 64 ARG HD+ 64 ARG HG- 4.50 (# 2467:20 Unique 2.30, 2.64 A)
&rst
ixpk= 2467, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 966, 967,
igr2= 963, 964,
&end
#
# 16 ILE QG2 16 ILE HG1- 4.50 (# 2469:20 Unique 2.47, 3.58 A)
&rst
ixpk= 2469, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 233, 234, 235,
igr2= 237, 238,
&end
#
# 116 PHE HA 119 GLN HB- 4.50 (# 2472:20 Unique 2.19, 3.71 A)
&rst
ixpk= 2472, nxpk= 20, iat=1780, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1832,1833,
&end
#
# 0 AMB 20-2:2473 0 AMB 20-1:2473 2.80 (# 2473:20 Double Ambig)
&rst
ixpk= 2473, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=1334,1335,1830,1296,1297,
igr2=1299,1300,1832,1833,1299,1300,
&end
#
# 119 GLN HN 119 GLN HB- 3.50 (# 2474:20 Unique 1.95, 2.97 A)
&rst
ixpk= 2474, nxpk= 20, iat=1828, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1832,1833,
&end
#
# 120 LEU HN 119 GLN HB- 5.50 (# 2475:20 Unique 2.78, 3.46 A)
&rst
ixpk= 2475, nxpk= 20, iat=1845, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1832,1833,
&end
#
# 119 GLN HN 119 GLN HB+ 4.50 (# 2476:20 Unique 1.95, 2.97 A)
&rst
ixpk= 2476, nxpk= 20, iat=1828, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1832,1833,
&end
#
# 120 LEU HN 119 GLN HB+ 4.50 (# 2477:20 Unique 2.78, 3.46 A)
&rst
ixpk= 2477, nxpk= 20, iat=1845, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1832,1833,
&end
#
# 119 GLN HA 119 GLN HB+ 3.50 (# 2478:20 Unique 2.30, 2.74 A)
&rst
ixpk= 2478, nxpk= 20, iat=1830, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1832,1833,
&end
#
# 64 ARG HA 64 ARG HG+ 4.50 (# 2481:20 Unique 2.31, 2.83 A)
&rst
ixpk= 2481, nxpk= 20, iat= 958, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 963, 964,
&end
#
# 64 ARG HD- 64 ARG HG+ 4.50 (# 2482:20 Unique 2.30, 2.64 A)
&rst
ixpk= 2482, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 966, 967,
igr2= 963, 964,
&end
#
# 0 AMB 20-2:2484 62 ARG HG- 4.50 (# 2484:20 Single Ambig)
&rst
ixpk= 2484, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 927, 928, 927, 928, 492, 493,
igr2= 924, 925,
&end
#
# 62 ARG HA 62 ARG HG- 5.50 (# 2485:20 Unique 2.46, 2.92 A)
&rst
ixpk= 2485, nxpk= 20, iat= 919, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 924, 925,
&end
#
# 62 ARG HB- 62 ARG HG- 7.00 (# 2486:20 Unique 2.44, 2.77 A)
&rst
ixpk= 2486, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 921, 922,
igr2= 924, 925,
&end
#
# 0 AMB 20-2:2488 0 AMB 20-1:2488 3.50 (# 2488:20 Double Ambig)
&rst
ixpk= 2488, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 927, 928, 927, 928, 492, 493,
igr2= 924, 925, 924, 925, 924, 925,
&end
#
# 62 ARG HA 62 ARG HG+ 5.50 (# 2489:20 Unique 2.46, 2.92 A)
&rst
ixpk= 2489, nxpk= 20, iat= 919, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 924, 925,
&end
#
# 0 AMB 20-2:2492 26 LEU HG 5.50 (# 2492:20 Single Ambig)
&rst
ixpk= 2492, nxpk= 20, iat= -1, 410, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1456,1447,1448,1866,
&end
#
# 0 AMB 20-2:2493 26 LEU HG 7.00 (# 2493:20 Single Ambig)
&rst
ixpk= 2493, nxpk= 20, iat= -1, 410, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1= 157, 158,1396,
&end
#
# 26 LEU HB- 26 LEU HG 4.50 (# 2494:20 Unique 2.32, 2.39 A)
&rst
ixpk= 2494, nxpk= 20, iat= -1, 410, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 407, 408,
&end
#
# 120 LEU HB- 26 LEU HG 5.50 (# 2495:20 Unique 2.56, 3.60 A)
&rst
ixpk= 2495, nxpk= 20, iat= -1, 410, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1849,1850,
&end
#
# 0 AMB 20-2:2497 26 LEU HG 4.50 (# 2497:20 Single Ambig)
&rst
ixpk= 2497, nxpk= 20, iat= -1, 410, r1= 0.00, r2= 1.80, r3= 6.99, r4= 7.74,
igr1= 535, 536,1353,1354,1355,1357,1358,1359,1524,1525,
1526,1528,1529,1530,
&end
#
# 0 AMB 20-2:2498 26 LEU HG 4.50 (# 2498:20 Single Ambig)
&rst
ixpk= 2498, nxpk= 20, iat= -1, 410, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 531, 532, 533, 183, 184, 185, 187, 188, 189,1407,
1408,1409,
&end
#
# 120 LEU MDY 26 LEU HG 3.50 (# 2499:20 Unique 2.21, 3.37 A)
&rst
ixpk= 2499, nxpk= 20, iat= -1, 410, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1854,1855,1856,1858,1859,1860,
&end
#
# 86 PRO HD+ 86 PRO HG+ 3.50 (# 2502:20 Unique 2.31, 2.60 A)
&rst
ixpk= 2502, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1296,1297,
igr2=1299,1300,
&end
#
# 85 GLN HA 86 PRO HG+ 4.50 (# 2504:20 Unique 4.23, 4.63 A)
&rst
ixpk= 2504, nxpk= 20, iat=1280, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1299,1300,
&end
#
# 0 AMB 20-2:2506 0 AMB 20-1:2506 4.50 (# 2506:20 Double Ambig)
&rst
ixpk= 2506, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1305,1343,
igr2=1299,1300,1299,1300,
&end
#
# 85 GLN HG+ 86 PRO HG+ 5.50 (# 2507:20 Unique 2.77, 4.93 A)
&rst
ixpk= 2507, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1285,1286,
igr2=1299,1300,
&end
#
# 113 CYS HB- 39 PRO HG- 7.00 (# 2510:20 Unique 7.57, 9.60 A)
&rst
ixpk= 2510, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1739,1740,
igr2= 608, 609,
&end
#
# 0 AMB 20-2:2511 0 AMB 20-1:2511 5.50 (# 2511:20 Double Ambig)
&rst
ixpk= 2511, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1723, 646, 318,
igr2= 608, 609, 669, 670,
&end
#
# 0 AMB 20-2:2513 0 AMB 20-1:2513 2.80 (# 2513:20 Double Ambig)
&rst
ixpk= 2513, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 666, 667, 605, 606,1644,1645,
igr2= 669, 670, 608, 609,
&end
#
# 0 AMB 20-2:2514 0 AMB 20-1:2514 3.50 (# 2514:20 Double Ambig)
&rst
ixpk= 2514, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 666, 667, 605, 606, 591, 592,
igr2= 669, 670, 608, 609,
&end
#
# 0 AMB 20-2:2517 0 AMB 20-1:2517 3.50 (# 2517:20 Double Ambig)
&rst
ixpk= 2517, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 611, 612, 672, 673,
igr2= 608, 609, 669, 670,
&end
#
# 0 AMB 20-2:2518 0 AMB 20-1:2518 4.50 (# 2518:20 Double Ambig)
&rst
ixpk= 2518, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 675, 614,1599,
igr2= 669, 670, 608, 609,
&end
#
# 0 AMB 20-2:2520 0 AMB 20-1:2520 5.50 (# 2520:20 Double Ambig)
&rst
ixpk= 2520, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1780, 675, 614,
igr2=1832,1833, 669, 670, 608, 609,
&end
#
# 0 AMB 20-2:2528 0 AMB 20-1:2528 4.50 (# 2528:20 Double Ambig)
&rst
ixpk= 2528, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1394,1909,
igr2=1404,1405,1404,1405,
&end
#
# 92 ILE HN 92 ILE HG1- 5.50 (# 2529:20 Unique 1.98, 3.01 A)
&rst
ixpk= 2529, nxpk= 20, iat=1394, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1404,1405,
&end
#
# 26 LEU HA 26 LEU HG 5.50 (# 2533:20 Unique 3.77, 3.81 A)
&rst
ixpk= 2533, nxpk= 20, iat= 405, 410, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:2534 26 LEU HG 2.80 (# 2534:20 Single Ambig)
&rst
ixpk= 2534, nxpk= 20, iat= -1, 410, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 412, 413, 414, 416, 417, 418,1458,1459,1460,
&end
#
# 113 CYS HA 113 CYS HB- 4.50 (# 2537:20 Unique 2.36, 2.69 A)
&rst
ixpk= 2537, nxpk= 20, iat=1737, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1739,1740,
&end
#
# 0 AMB 20-2:2539 113 CYS HB- 7.00 (# 2539:20 Single Ambig)
&rst
ixpk= 2539, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.11, r4=11.86,
igr1= 570, 571, 572, 574, 575, 576, 219, 220,
igr2=1739,1740,
&end
#
# 113 CYS HA 113 CYS HB- 4.50 (# 2540:20 Unique 2.36, 2.69 A)
&rst
ixpk= 2540, nxpk= 20, iat=1737, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1739,1740,
&end
#
# 0 AMB 20-2:2545 111 ARG HG- 4.50 (# 2545:20 Single Ambig)
&rst
ixpk= 2545, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1763,1688,1780,
igr2=1704,1705,
&end
#
# 109 VAL HA 111 ARG HG- 7.00 (# 2546:20 Unique 7.12, 7.85 A)
&rst
ixpk= 2546, nxpk= 20, iat=1672, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1704,1705,
&end
#
# 107 SER HB- 111 ARG HG- 5.50 (# 2548:20 Unique 2.63, 6.00 A)
&rst
ixpk= 2548, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1644,1645,
igr2=1704,1705,
&end
#
# 0 AMB 20-2:2549 111 ARG HG- 7.00 (# 2549:20 Single Ambig)
&rst
ixpk= 2549, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
igr1=1782,1783, 605, 606,
igr2=1704,1705,
&end
#
# 0 AMB 20-2:2551 0 AMB 20-1:2551 4.50 (# 2551:20 Double Ambig)
&rst
ixpk= 2551, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1413,1309,
igr2=1404,1405,1404,1405,
&end
#
# 92 ILE HA 92 ILE HG1+ 3.50 (# 2552:20 Unique 2.29, 3.27 A)
&rst
ixpk= 2552, nxpk= 20, iat=1396, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1404,1405,
&end
#
# 92 ILE QG2 92 ILE HG1+ 5.50 (# 2553:20 Unique 2.25, 3.46 A)
&rst
ixpk= 2553, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1400,1401,1402,
igr2=1404,1405,
&end
#
# 115 HIS HA 111 ARG HG+ 5.50 (# 2554:20 Unique 4.64, 5.14 A)
&rst
ixpk= 2554, nxpk= 20, iat=1763, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1704,1705,
&end
#
# 18 ARG HA 19 LEU HG 4.50 (# 2555:20 Unique 3.37, 3.97 A)
&rst
ixpk= 2555, nxpk= 20, iat= 268, 297, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 107 SER HB- 111 ARG HG+ 4.50 (# 2556:20 Unique 2.63, 6.00 A)
&rst
ixpk= 2556, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1644,1645,
igr2=1704,1705,
&end
#
# 89 VAL HA 87 ARG HG+ 5.50 (# 2557:20 Unique 2.80, 4.91 A)
&rst
ixpk= 2557, nxpk= 20, iat=1349, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1316,1317,
&end
#
# 19 LEU HN 19 LEU HG 4.50 (# 2558:20 Unique 1.83, 2.52 A)
&rst
ixpk= 2558, nxpk= 20, iat= 290, 297, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 23 HIS HD2 19 LEU HG 7.00 (# 2559:20 Unique 6.42, 8.33 A)
&rst
ixpk= 2559, nxpk= 20, iat= 365, 297, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 0 AMB 20-2:2560 19 LEU HG 2.80 (# 2560:20 Single Ambig)
&rst
ixpk= 2560, nxpk= 20, iat= -1, 297, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 299, 300, 301, 303, 304, 305, 299, 300, 301, 303,
304, 305,
&end
#
# 80 LEU HB+ 80 LEU HG 2.80 (# 2561:20 Unique 2.44, 2.77 A)
&rst
ixpk= 2561, nxpk= 20, iat= -1,1201, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1198,1199,
&end
#
# 28 ILE HN 28 ILE HG1+ 5.50 (# 2563:20 Unique 2.64, 2.81 A)
&rst
ixpk= 2563, nxpk= 20, iat= 443, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 453, 454,
&end
#
# 0 AMB 20-2:2569 0 AMB 20-1:2569 5.50 (# 2569:20 Double Ambig)
&rst
ixpk= 2569, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 538, 539, 540, 449, 450, 451,
igr2=1471,1472,1471,1472,
&end
#
# 97 LYS HA 97 LYS HG+ 4.50 (# 2570:20 Unique 2.33, 2.59 A)
&rst
ixpk= 2570, nxpk= 20, iat=1466, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1471,1472,
&end
#
# 80 LEU HA 80 LEU HG 4.50 (# 2575:20 Unique 2.67, 3.13 A)
&rst
ixpk= 2575, nxpk= 20, iat=1196,1201, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:2576 80 LEU HG 2.80 (# 2576:20 Single Ambig)
&rst
ixpk= 2576, nxpk= 20, iat= -1,1201, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1203,1204,1205,1207,1208,1209,1203,1204,1205,1207,
1208,1209,
&end
#
# 80 LEU HN 80 LEU HG 4.50 (# 2577:20 Unique 2.67, 4.30 A)
&rst
ixpk= 2577, nxpk= 20, iat=1194,1201, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 8 PRO HD- 8 PRO HG+ 4.50 (# 2579:20 Unique 2.26, 2.59 A)
&rst
ixpk= 2579, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 106, 107,
igr2= 109, 110,
&end
#
# 0 AMB 20-2:2580 0 AMB 20-1:2580 4.50 (# 2580:20 Double Ambig)
&rst
ixpk= 2580, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 106, 107, 426, 427, 426, 427,
igr2= 109, 110, 203, 204, 412, 413, 414, 416, 417, 418,
&end
#
# 29 GLY HN 28 ILE HG1+ 5.50 (# 2582:20 Unique 3.14, 3.83 A)
&rst
ixpk= 2582, nxpk= 20, iat= 462, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 453, 454,
&end
#
# 7 GLU HA 8 PRO HG+ 5.50 (# 2583:20 Unique 4.23, 4.54 A)
&rst
ixpk= 2583, nxpk= 20, iat= 92, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 109, 110,
&end
#
# 27 TYR HN 26 LEU MDY 5.50 (# 2586:20 Unique 2.42, 4.02 A)
&rst
ixpk= 2586, nxpk= 20, iat= 422, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 412, 413, 414, 416, 417, 418,
&end
#
# 26 LEU HA 26 LEU MDY 4.50 (# 2587:20 Unique 2.24, 3.47 A)
&rst
ixpk= 2587, nxpk= 20, iat= 405, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 412, 413, 414, 416, 417, 418,
&end
#
# 13 LEU HN 13 LEU MDY 5.50 (# 2590:20 Unique 1.92, 4.74 A)
&rst
ixpk= 2590, nxpk= 20, iat= 174, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 183, 184, 185, 187, 188, 189,
&end
#
# 24 TRP HD1 13 LEU MDY 5.50 (# 2591:20 Unique 3.18, 7.61 A)
&rst
ixpk= 2591, nxpk= 20, iat= 377, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 183, 184, 185, 187, 188, 189,
&end
#
# 78 ASN HB- 13 LEU MDY 5.50 (# 2593:20 Unique 3.64, 6.35 A)
&rst
ixpk= 2593, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1173,1174,
igr2= 183, 184, 185, 187, 188, 189,
&end
#
# 13 LEU HB- 13 LEU MDY 3.50 (# 2594:20 Unique 2.33, 3.29 A)
&rst
ixpk= 2594, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 178, 179,
igr2= 183, 184, 185, 187, 188, 189,
&end
#
# 13 LEU HG 13 LEU MDY 4.50 (# 2595:20 Unique 2.37, 2.66 A)
&rst
ixpk= 2595, nxpk= 20, iat= 181, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 183, 184, 185, 187, 188, 189,
&end
#
# 78 ASN HA 13 LEU MDY 5.50 (# 2597:20 Unique 2.26, 4.24 A)
&rst
ixpk= 2597, nxpk= 20, iat=1171, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 183, 184, 185, 187, 188, 189,
&end
#
# 13 LEU HA 13 LEU MDY 5.50 (# 2598:20 Unique 2.43, 4.52 A)
&rst
ixpk= 2598, nxpk= 20, iat= 176, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 183, 184, 185, 187, 188, 189,
&end
#
# 0 AMB 20-2:2599 13 LEU MDY 5.50 (# 2599:20 Single Ambig)
&rst
ixpk= 2599, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1187,1188,1816,
igr2= 183, 184, 185, 187, 188, 189,
&end
#
# 97 LYS HN 97 LYS HG- 5.50 (# 2600:20 Unique 2.16, 3.17 A)
&rst
ixpk= 2600, nxpk= 20, iat=1464, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1471,1472,
&end
#
# 9 LYS HN 8 PRO HG- 5.50 (# 2603:20 Unique 4.35, 4.87 A)
&rst
ixpk= 2603, nxpk= 20, iat= 119, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 109, 110,
&end
#
# 8 PRO HA 8 PRO HG- 7.00 (# 2604:20 Unique 3.83, 3.98 A)
&rst
ixpk= 2604, nxpk= 20, iat= 115, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 109, 110,
&end
#
# 8 PRO HD- 8 PRO HG- 4.50 (# 2605:20 Unique 2.26, 2.59 A)
&rst
ixpk= 2605, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 106, 107,
igr2= 109, 110,
&end
#
# 0 AMB 20-2:2606 8 PRO HG- 7.00 (# 2606:20 Single Ambig)
&rst
ixpk= 2606, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1107, 462,
igr2= 109, 110,
&end
#
# 7 GLU HA 8 PRO HG- 5.50 (# 2607:20 Unique 4.23, 4.54 A)
&rst
ixpk= 2607, nxpk= 20, iat= 92, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 109, 110,
&end
#
# 8 PRO HD+ 8 PRO HG- 4.50 (# 2608:20 Unique 2.26, 2.59 A)
&rst
ixpk= 2608, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 106, 107,
igr2= 109, 110,
&end
#
# 8 PRO HB- 8 PRO HG- 4.50 (# 2609:20 Unique 2.36, 2.64 A)
&rst
ixpk= 2609, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 112, 113,
igr2= 109, 110,
&end
#
# 8 PRO HB+ 8 PRO HG- 3.50 (# 2612:20 Unique 2.36, 2.64 A)
&rst
ixpk= 2612, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 112, 113,
igr2= 109, 110,
&end
#
# 8 PRO HA 0 AMB 20-1:2620 5.50 (# 2620:20 Single Ambig)
&rst
ixpk= 2620, nxpk= 20, iat= 115, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 109, 110, 203, 204,
&end
#
# 0 AMB 20-2:2621 0 AMB 20-1:2621 2.80 (# 2621:20 Double Ambig)
&rst
ixpk= 2621, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1= 112, 113, 197, 535, 536,
igr2= 203, 204, 109, 110, 453, 454,
&end
#
# 0 AMB 20-2:2622 0 AMB 20-1:2622 5.50 (# 2622:20 Double Ambig)
&rst
ixpk= 2622, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 193, 509,
igr2= 203, 204, 453, 454,
&end
#
# 0 AMB 20-2:2623 0 AMB 20-1:2623 4.50 (# 2623:20 Double Ambig)
&rst
ixpk= 2623, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1= 989, 990, 991, 993, 994, 995,1048,1049,1050,1052,
1053,1054,
igr2= 109, 110, 109, 110,
&end
#
# 97 LYS HA 97 LYS HG- 4.50 (# 2624:20 Unique 2.33, 2.59 A)
&rst
ixpk= 2624, nxpk= 20, iat=1466, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1471,1472,
&end
#
# 0 AMB 20-2:2625 97 LYS HG- 5.50 (# 2625:20 Single Ambig)
&rst
ixpk= 2625, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1477,1478, 927, 928,
igr2=1471,1472,
&end
#
# 97 LYS HE+ 97 LYS HG- 4.50 (# 2626:20 Unique 2.32, 3.15 A)
&rst
ixpk= 2626, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1477,1478,
igr2=1471,1472,
&end
#
# 97 LYS HB- 97 LYS HG- 2.80 (# 2628:20 Unique 2.40, 2.78 A)
&rst
ixpk= 2628, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1468,1469,
igr2=1471,1472,
&end
#
# 14 ILE HN 14 ILE HG1+ 7.00 (# 2630:20 Unique 2.35, 3.08 A)
&rst
ixpk= 2630, nxpk= 20, iat= 193, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 203, 204,
&end
#
# 0 AMB 20-2:2632 0 AMB 20-1:2632 3.50 (# 2632:20 Double Ambig)
&rst
ixpk= 2632, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.24, r4= 6.99,
igr1= 112, 113, 538, 539, 540, 449, 450, 451,
igr2= 203, 204,1471,1472,
&end
#
# 0 AMB 20-2:2633 0 AMB 20-1:2633 2.80 (# 2633:20 Double Ambig)
&rst
ixpk= 2633, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 199, 200, 201, 206, 207, 208,
igr2= 203, 204, 203, 204,
&end
#
# 0 AMB 20-2:2634 0 AMB 20-1:2634 2.80 (# 2634:20 Double Ambig)
&rst
ixpk= 2634, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1= 240, 241, 242, 515, 516, 517, 519, 520, 521, 989,
990, 991, 993, 994, 995,
igr2= 203, 204, 203, 204, 203, 204,
&end
#
# 66 GLU HN 65 LEU HG 5.50 (# 2635:20 Unique 3.49, 3.74 A)
&rst
ixpk= 2635, nxpk= 20, iat= 999, 987, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:2636 0 AMB 20-1:2636 5.50 (# 2636:20 Double Ambig)
&rst
ixpk= 2636, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.64, r4= 9.39,
igr1=1155, 403, 980,
igr2= 203, 204, 203, 204, 987,
&end
#
# 65 LEU HA 65 LEU HG 4.50 (# 2637:20 Unique 2.97, 3.09 A)
&rst
ixpk= 2637, nxpk= 20, iat= 982, 987, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:2638 0 AMB 20-1:2638 2.80 (# 2638:20 Double Ambig)
&rst
ixpk= 2638, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
igr1= 206, 207, 208, 989, 990, 991, 993, 994, 995,1048,
1049,1050,1052,1053,1054,
igr2= 203, 204, 987,
&end
#
# 65 LEU HB- 65 LEU HG 3.50 (# 2639:20 Unique 2.50, 2.81 A)
&rst
ixpk= 2639, nxpk= 20, iat= -1, 987, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 984, 985,
&end
#
# 13 LEU MDY 13 LEU HG 3.50 (# 2643:20 Unique 2.37, 2.66 A)
&rst
ixpk= 2643, nxpk= 20, iat= -1, 181, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 183, 184, 185, 187, 188, 189,
&end
#
# 13 LEU HN 13 LEU HG 5.50 (# 2648:20 Unique 2.12, 3.49 A)
&rst
ixpk= 2648, nxpk= 20, iat= 174, 181, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 13 LEU HB- 13 LEU HG 5.50 (# 2649:20 Unique 2.37, 2.80 A)
&rst
ixpk= 2649, nxpk= 20, iat= -1, 181, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 178, 179,
&end
#
# 13 LEU MDX 13 LEU HG 4.50 (# 2650:20 Unique 2.37, 2.66 A)
&rst
ixpk= 2650, nxpk= 20, iat= -1, 181, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 183, 184, 185, 187, 188, 189,
&end
#
# 120 LEU HN 120 LEU HG 7.00 (# 2652:20 Unique 2.27, 2.51 A)
&rst
ixpk= 2652, nxpk= 20, iat=1845,1852, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 0 AMB 20-2:2653 120 LEU HG 4.50 (# 2653:20 Single Ambig)
&rst
ixpk= 2653, nxpk= 20, iat= -1,1852, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1800,1847,
&end
#
# 120 LEU MDY 120 LEU HG 3.50 (# 2654:20 Unique 2.23, 2.65 A)
&rst
ixpk= 2654, nxpk= 20, iat= -1,1852, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1854,1855,1856,1858,1859,1860,
&end
#
# 116 PHE HE 120 LEU MDY 5.50 (# 2657:20 Unique 2.47, 4.51 A)
&rst
ixpk= 2657, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1788,1792,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 120 LEU HN 120 LEU MDY 5.50 (# 2658:20 Unique 3.63, 4.48 A)
&rst
ixpk= 2658, nxpk= 20, iat=1845, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 0 AMB 20-2:2659 120 LEU MDY 3.50 (# 2659:20 Single Ambig)
&rst
ixpk= 2659, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1800,1456,1847,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 0 AMB 20-2:2660 120 LEU MDY 5.50 (# 2660:20 Single Ambig)
&rst
ixpk= 2660, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1505,1506,1802,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 26 LEU HB- 120 LEU MDY 7.00 (# 2661:20 Unique 2.17, 3.82 A)
&rst
ixpk= 2661, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 407, 408,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 120 LEU HB- 120 LEU MDY 4.50 (# 2662:20 Unique 2.28, 3.29 A)
&rst
ixpk= 2662, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1849,1850,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 0 AMB 20-2:2663 120 LEU MDY 2.80 (# 2663:20 Single Ambig)
&rst
ixpk= 2663, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.99, r4= 6.74,
igr1=1458,1459,1460,1852,1804,1805,1806,1808,1809,1810,
412, 413, 414, 416, 417, 418,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 0 AMB 20-2:2664 120 LEU MDY 3.50 (# 2664:20 Single Ambig)
&rst
ixpk= 2664, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1849,1850, 531, 532, 533,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 0 AMB 20-2:2665 120 LEU MDY 3.50 (# 2665:20 Single Ambig)
&rst
ixpk= 2665, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.80, r4= 7.55,
igr1= 412, 413, 414, 416, 417, 418,1400,1401,1402,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 75 ARG HD- 75 ARG HG+ 5.50 (# 2668:20 Unique 2.31, 2.66 A)
&rst
ixpk= 2668, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1125,1126,
igr2=1122,1123,
&end
#
# 75 ARG HB- 75 ARG HG+ 4.50 (# 2669:20 Unique 2.25, 2.69 A)
&rst
ixpk= 2669, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1119,1120,
igr2=1122,1123,
&end
#
# 11 GLY HN 26 LEU MDX 7.00 (# 2670:20 Unique 3.21, 5.05 A)
&rst
ixpk= 2670, nxpk= 20, iat= 155, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr2= 412, 413, 414, 416, 417, 418,
&end
#
# 13 LEU HA 26 LEU MDX 5.50 (# 2671:20 Unique 2.27, 4.66 A)
&rst
ixpk= 2671, nxpk= 20, iat= 176, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 412, 413, 414, 416, 417, 418,
&end
#
# 0 AMB 20-2:2672 26 LEU MDX 5.50 (# 2672:20 Single Ambig)
&rst
ixpk= 2672, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=1423,1424,1404,1405, 535, 536,
igr2= 412, 413, 414, 416, 417, 418,
&end
#
# 75 ARG HN 75 ARG HG+ 5.50 (# 2675:20 Unique 2.43, 4.21 A)
&rst
ixpk= 2675, nxpk= 20, iat=1115, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1122,1123,
&end
#
# 75 ARG HA 75 ARG HG+ 4.50 (# 2676:20 Unique 2.37, 3.25 A)
&rst
ixpk= 2676, nxpk= 20, iat=1117, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1122,1123,
&end
#
# 0 AMB 20-2:2686 26 LEU MDX 4.50 (# 2686:20 Single Ambig)
&rst
ixpk= 2686, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 151,1456,1866,
igr2= 412, 413, 414, 416, 417, 418,
&end
#
# 11 GLY HA- 26 LEU MDX 4.50 (# 2687:20 Unique 2.21, 4.22 A)
&rst
ixpk= 2687, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 157, 158,
igr2= 412, 413, 414, 416, 417, 418,
&end
#
# 27 TYR HN 26 LEU MDX 4.50 (# 2688:20 Unique 2.42, 4.02 A)
&rst
ixpk= 2688, nxpk= 20, iat= 422, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 412, 413, 414, 416, 417, 418,
&end
#
# 26 LEU HA 26 LEU MDX 4.50 (# 2689:20 Unique 2.24, 3.47 A)
&rst
ixpk= 2689, nxpk= 20, iat= 405, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 412, 413, 414, 416, 417, 418,
&end
#
# 11 GLY HA+ 26 LEU MDX 4.50 (# 2691:20 Unique 2.21, 4.22 A)
&rst
ixpk= 2691, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 157, 158,
igr2= 412, 413, 414, 416, 417, 418,
&end
#
# 117 VAL HB 26 LEU MDX 5.50 (# 2692:20 Unique 3.75, 7.08 A)
&rst
ixpk= 2692, nxpk= 20, iat=1802, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 412, 413, 414, 416, 417, 418,
&end
#
# 0 AMB 20-2:2694 26 LEU MDX 4.50 (# 2694:20 Single Ambig)
&rst
ixpk= 2694, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 407, 408,1398,
igr2= 412, 413, 414, 416, 417, 418,
&end
#
# 120 LEU HB- 26 LEU MDX 4.50 (# 2695:20 Unique 2.85, 5.23 A)
&rst
ixpk= 2695, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1849,1850,
igr2= 412, 413, 414, 416, 417, 418,
&end
#
# 120 LEU MDY 26 LEU MDX 4.50 (# 2699:20 Unique 2.43, 5.32 A)
&rst
ixpk= 2699, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1854,1855,1856,1858,1859,1860,
igr2= 412, 413, 414, 416, 417, 418,
&end
#
# 113 CYS HA 36 LEU MDY 3.50 (# 2701:20 Unique 2.58, 6.06 A)
&rst
ixpk= 2701, nxpk= 20, iat=1737, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 570, 571, 572, 574, 575, 576,
&end
#
# 0 AMB 20-2:2703 36 LEU MDY 5.50 (# 2703:20 Single Ambig)
&rst
ixpk= 2703, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 864, 580,
igr2= 570, 571, 572, 574, 575, 576,
&end
#
# 36 LEU HA 36 LEU MDY 5.50 (# 2704:20 Unique 2.17, 3.84 A)
&rst
ixpk= 2704, nxpk= 20, iat= 563, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 570, 571, 572, 574, 575, 576,
&end
#
# 0 AMB 20-2:2705 36 LEU MDY 7.00 (# 2705:20 Single Ambig)
&rst
ixpk= 2705, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.89, r4=12.64,
igr1=1782,1783, 605, 606,
igr2= 570, 571, 572, 574, 575, 576,
&end
#
# 112 ASN HB- 36 LEU MDY 5.50 (# 2706:20 Unique 2.74, 6.10 A)
&rst
ixpk= 2706, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1725,1726,
igr2= 570, 571, 572, 574, 575, 576,
&end
#
# 99 MET HG+ 36 LEU MDY 7.00 (# 2707:20 Unique 6.64, 9.27 A)
&rst
ixpk= 2707, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1=1508,1509,
igr2= 570, 571, 572, 574, 575, 576,
&end
#
# 8 PRO HG+ 65 LEU MDY 4.50 (# 2709:20 Unique 2.29, 3.54 A)
&rst
ixpk= 2709, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 109, 110,
igr2= 989, 990, 991, 993, 994, 995,
&end
#
# 0 AMB 20-2:2710 65 LEU MDY 2.80 (# 2710:20 Single Ambig)
&rst
ixpk= 2710, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 984, 985, 987,
igr2= 989, 990, 991, 993, 994, 995,
&end
#
# 66 GLU HN 65 LEU MDY 5.50 (# 2712:20 Unique 4.20, 5.39 A)
&rst
ixpk= 2712, nxpk= 20, iat= 999, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 989, 990, 991, 993, 994, 995,
&end
#
# 0 AMB 20-2:2713 65 LEU MDY 5.50 (# 2713:20 Single Ambig)
&rst
ixpk= 2713, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 980, 403,
igr2= 989, 990, 991, 993, 994, 995,
&end
#
# 0 AMB 20-2:2714 65 LEU MDY 4.50 (# 2714:20 Single Ambig)
&rst
ixpk= 2714, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1102,1111,1014,
igr2= 989, 990, 991, 993, 994, 995,
&end
#
# 0 AMB 20-2:2715 65 LEU MDY 4.50 (# 2715:20 Single Ambig)
&rst
ixpk= 2715, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 462,1107,
igr2= 989, 990, 991, 993, 994, 995,
&end
#
# 31 GLY HA- 65 LEU MDY 5.50 (# 2717:20 Unique 2.86, 6.36 A)
&rst
ixpk= 2717, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 483, 484,
igr2= 989, 990, 991, 993, 994, 995,
&end
#
# 65 LEU HA 65 LEU MDY 4.50 (# 2719:20 Unique 2.22, 3.94 A)
&rst
ixpk= 2719, nxpk= 20, iat= 982, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 989, 990, 991, 993, 994, 995,
&end
#
# 0 AMB 20-2:2720 65 LEU MDY 7.00 (# 2720:20 Single Ambig)
&rst
ixpk= 2720, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.89, r4=12.64,
igr1= 106, 107, 426, 427,
igr2= 989, 990, 991, 993, 994, 995,
&end
#
# 65 LEU HB- 65 LEU MDY 3.50 (# 2721:20 Unique 2.37, 3.31 A)
&rst
ixpk= 2721, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 984, 985,
igr2= 989, 990, 991, 993, 994, 995,
&end
#
# 8 PRO HG+ 65 LEU MDY 3.50 (# 2723:20 Unique 2.29, 3.54 A)
&rst
ixpk= 2723, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 109, 110,
igr2= 989, 990, 991, 993, 994, 995,
&end
#
# 0 AMB 20-2:2729 103 LYS HG- 5.50 (# 2729:20 Single Ambig)
&rst
ixpk= 2729, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1580, 879, 854,
igr2=1565,1566,
&end
#
# 103 LYS HN 103 LYS HG- 4.50 (# 2730:20 Unique 2.87, 3.62 A)
&rst
ixpk= 2730, nxpk= 20, iat=1558, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1565,1566,
&end
#
# 103 LYS HA 103 LYS HG- 4.50 (# 2731:20 Unique 2.35, 2.78 A)
&rst
ixpk= 2731, nxpk= 20, iat=1560, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1565,1566,
&end
#
# 59 GLU HA 103 LYS HG- 5.50 (# 2732:20 Unique 2.61, 3.76 A)
&rst
ixpk= 2732, nxpk= 20, iat= 866, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1565,1566,
&end
#
# 103 LYS HE+ 103 LYS HG- 4.50 (# 2733:20 Unique 2.43, 3.38 A)
&rst
ixpk= 2733, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1571,1572,
igr2=1565,1566,
&end
#
# 61 LYS HA 61 LYS HG+ 5.50 (# 2735:20 Unique 2.24, 2.85 A)
&rst
ixpk= 2735, nxpk= 20, iat= 897, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 902, 903,
&end
#
# 61 LYS HE+ 61 LYS HG+ 5.50 (# 2736:20 Unique 2.33, 3.46 A)
&rst
ixpk= 2736, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 908, 909,
igr2= 902, 903,
&end
#
# 0 AMB 20-2:2737 0 AMB 20-1:2737 4.50 (# 2737:20 Double Ambig)
&rst
ixpk= 2737, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 584, 585, 586,1524,1525,1526,1528,1529,1530,
igr2= 902, 903, 902, 903,
&end
#
# 75 ARG HA 75 ARG HG- 3.50 (# 2738:20 Unique 2.37, 3.25 A)
&rst
ixpk= 2738, nxpk= 20, iat=1117, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1122,1123,
&end
#
# 0 AMB 20-2:2740 0 AMB 20-1:2740 5.50 (# 2740:20 Double Ambig)
&rst
ixpk= 2740, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1139,1580,
igr2=1122,1123,1565,1566,
&end
#
# 103 LYS HN 103 LYS HG+ 4.50 (# 2741:20 Unique 2.87, 3.62 A)
&rst
ixpk= 2741, nxpk= 20, iat=1558, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1565,1566,
&end
#
# 103 LYS HA 103 LYS HG+ 4.50 (# 2742:20 Unique 2.35, 2.78 A)
&rst
ixpk= 2742, nxpk= 20, iat=1560, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1565,1566,
&end
#
# 59 GLU HA 103 LYS HG+ 5.50 (# 2743:20 Unique 2.61, 3.76 A)
&rst
ixpk= 2743, nxpk= 20, iat= 866, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1565,1566,
&end
#
# 103 LYS HE+ 103 LYS HG+ 4.50 (# 2744:20 Unique 2.43, 3.38 A)
&rst
ixpk= 2744, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1571,1572,
igr2=1565,1566,
&end
#
# 75 ARG HB- 75 ARG HG- 2.80 (# 2745:20 Unique 2.25, 2.69 A)
&rst
ixpk= 2745, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1119,1120,
igr2=1122,1123,
&end
#
# 61 LYS HA 61 LYS HG- 4.50 (# 2747:20 Unique 2.24, 2.85 A)
&rst
ixpk= 2747, nxpk= 20, iat= 897, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 902, 903,
&end
#
# 61 LYS HE+ 61 LYS HG- 5.50 (# 2749:20 Unique 2.33, 3.46 A)
&rst
ixpk= 2749, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 908, 909,
igr2= 902, 903,
&end
#
# 61 LYS HB- 61 LYS HG- 4.50 (# 2750:20 Unique 2.27, 2.75 A)
&rst
ixpk= 2750, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 899, 900,
igr2= 902, 903,
&end
#
# 0 AMB 20-2:2751 61 LYS HG- 2.80 (# 2751:20 Single Ambig)
&rst
ixpk= 2751, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 899, 900, 905, 906, 905, 906,
igr2= 902, 903,
&end
#
# 0 AMB 20-2:2753 61 LYS HG- 4.50 (# 2753:20 Single Ambig)
&rst
ixpk= 2753, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 584, 585, 586,1524,1525,1526,1528,1529,1530,
igr2= 902, 903,
&end
#
# 118 THR HA 80 LEU MDX 7.00 (# 2756:20 Unique 2.60, 6.71 A)
&rst
ixpk= 2756, nxpk= 20, iat=1816, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 80 LEU HN 80 LEU MDX 5.50 (# 2757:20 Unique 3.81, 5.19 A)
&rst
ixpk= 2757, nxpk= 20, iat=1194, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 0 AMB 20-2:2758 0 AMB 20-1:2758 4.50 (# 2758:20 Double Ambig)
&rst
ixpk= 2758, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1265,1274, 369,1553,1554,
igr2=1203,1204,1205,1207,1208,1209, 570, 571, 572, 574,
575, 576,
&end
#
# 84 TYR HE 80 LEU MDX 4.50 (# 2759:20 Unique 2.30, 5.46 A)
&rst
ixpk= 2759, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1267,1272,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 84 TYR HH 80 LEU MDX 4.50 (# 2760:20 Unique 2.71, 4.98 A)
&rst
ixpk= 2760, nxpk= 20, iat=1270, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 60 VAL HA 36 LEU MDY 4.50 (# 2761:20 Unique 2.73, 4.80 A)
&rst
ixpk= 2761, nxpk= 20, iat= 881, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 570, 571, 572, 574, 575, 576,
&end
#
# 0 AMB 20-2:2762 0 AMB 20-1:2762 4.50 (# 2762:20 Double Ambig)
&rst
ixpk= 2762, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1=1584,1585,1249,1250,
igr2= 570, 571, 572, 574, 575, 576,1203,1204,1205,1207,
1208,1209,
&end
#
# 80 LEU HG 80 LEU MDX 3.50 (# 2763:20 Unique 2.36, 2.66 A)
&rst
ixpk= 2763, nxpk= 20, iat=1201, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 0 AMB 20-2:2765 0 AMB 20-1:2765 2.80 (# 2765:20 Double Ambig)
&rst
ixpk= 2765, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.41, r4= 7.16,
igr1=1804,1805,1806,1808,1809,1810, 568,1198,1199,1820,
1821,1822,
igr2=1203,1204,1205,1207,1208,1209, 570, 571, 572, 574,
575, 576,
&end
#
# 0 AMB 20-2:2782 0 AMB 20-1:2782 5.50 (# 2782:20 Double Ambig)
&rst
ixpk= 2782, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1599, 614,
igr2=1604,1605,1604,1605,
&end
#
# 0 AMB 20-2:2783 103 LYS HG- 2.80 (# 2783:20 Single Ambig)
&rst
ixpk= 2783, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1562,1563, 868, 869,
igr2=1565,1566,
&end
#
# 57 SER HA 105 LYS HG+ 4.50 (# 2784:20 Unique 2.24, 4.62 A)
&rst
ixpk= 2784, nxpk= 20, iat= 845, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1604,1605,
&end
#
# 0 AMB 20-2:2786 105 LYS HG- 4.50 (# 2786:20 Single Ambig)
&rst
ixpk= 2786, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1599, 614,
igr2=1604,1605,
&end
#
# 105 LYS HE+ 105 LYS HG- 4.50 (# 2787:20 Unique 2.38, 3.21 A)
&rst
ixpk= 2787, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1610,1611,
igr2=1604,1605,
&end
#
# 0 AMB 20-2:2788 0 AMB 20-1:2788 2.80 (# 2788:20 Double Ambig)
&rst
ixpk= 2788, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1601,1602,1607,1608, 868, 869,
igr2=1604,1605, 902, 903,
&end
#
# 0 AMB 20-2:2791 54 LEU MDX 2.80 (# 2791:20 Single Ambig)
&rst
ixpk= 2791, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 803, 804, 803, 804,
igr2= 808, 809, 810, 812, 813, 814,
&end
#
# 54 LEU HA 54 LEU MDX 5.50 (# 2793:20 Unique 2.11, 3.68 A)
&rst
ixpk= 2793, nxpk= 20, iat= 801, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 808, 809, 810, 812, 813, 814,
&end
#
# 19 LEU HB- 19 LEU MDX 2.80 (# 2834:20 Unique 2.40, 3.34 A)
&rst
ixpk= 2834, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 294, 295,
igr2= 299, 300, 301, 303, 304, 305,
&end
#
# 0 AMB 20-2:2835 19 LEU MDX 2.80 (# 2835:20 Single Ambig)
&rst
ixpk= 2835, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 297, 294, 295,
igr2= 299, 300, 301, 303, 304, 305,
&end
#
# 0 AMB 20-2:2842 65 LEU MDX 5.50 (# 2842:20 Single Ambig)
&rst
ixpk= 2842, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 980, 403,
igr2= 989, 990, 991, 993, 994, 995,
&end
#
# 69 VAL HN 65 LEU MDX 7.00 (# 2843:20 Unique 3.72, 5.58 A)
&rst
ixpk= 2843, nxpk= 20, iat=1042, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr2= 989, 990, 991, 993, 994, 995,
&end
#
# 0 AMB 20-2:2844 65 LEU MDX 5.50 (# 2844:20 Single Ambig)
&rst
ixpk= 2844, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1026,1058,
igr2= 989, 990, 991, 993, 994, 995,
&end
#
# 27 TYR HD 65 LEU MDX 4.50 (# 2845:20 Unique 2.47, 5.47 A)
&rst
ixpk= 2845, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 430, 439,
igr2= 989, 990, 991, 993, 994, 995,
&end
#
# 0 AMB 20-2:2846 65 LEU MDX 4.50 (# 2846:20 Single Ambig)
&rst
ixpk= 2846, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 462,1107,
igr2= 989, 990, 991, 993, 994, 995,
&end
#
# 66 GLU HA 65 LEU MDX 5.50 (# 2848:20 Unique 4.74, 5.75 A)
&rst
ixpk= 2848, nxpk= 20, iat=1001, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 989, 990, 991, 993, 994, 995,
&end
#
# 65 LEU HA 65 LEU MDX 3.50 (# 2849:20 Unique 2.22, 3.94 A)
&rst
ixpk= 2849, nxpk= 20, iat= 982, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 989, 990, 991, 993, 994, 995,
&end
#
# 65 LEU HB- 65 LEU MDX 3.50 (# 2851:20 Unique 2.37, 3.31 A)
&rst
ixpk= 2851, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 984, 985,
igr2= 989, 990, 991, 993, 994, 995,
&end
#
# 0 AMB 20-2:2853 65 LEU MDX 4.50 (# 2853:20 Single Ambig)
&rst
ixpk= 2853, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 203, 204, 453, 454,
igr2= 989, 990, 991, 993, 994, 995,
&end
#
# 0 AMB 20-2:2854 65 LEU MDX 2.80 (# 2854:20 Single Ambig)
&rst
ixpk= 2854, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 984, 985, 987,
igr2= 989, 990, 991, 993, 994, 995,
&end
#
# 33 VAL MGX 65 LEU MDX 2.80 (# 2856:20 Unique 2.25, 5.02 A)
&rst
ixpk= 2856, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 515, 516, 517, 519, 520, 521,
igr2= 989, 990, 991, 993, 994, 995,
&end
#
# 0 AMB 20-2:2869 0 AMB 20-1:2869 2.80 (# 2869:20 Double Ambig)
&rst
ixpk= 2869, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 123, 124, 129, 130,
igr2= 126, 127, 126, 127,
&end
#
# 9 LYS HA 9 LYS HG+ 4.50 (# 2870:20 Unique 2.39, 3.35 A)
&rst
ixpk= 2870, nxpk= 20, iat= 121, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 126, 127,
&end
#
# 9 LYS HE+ 9 LYS HG+ 4.50 (# 2871:20 Unique 2.39, 3.10 A)
&rst
ixpk= 2871, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 132, 133,
igr2= 126, 127,
&end
#
# 9 LYS HN 9 LYS HG+ 4.50 (# 2872:20 Unique 2.61, 4.16 A)
&rst
ixpk= 2872, nxpk= 20, iat= 119, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 126, 127,
&end
#
# 9 LYS HA 9 LYS HG+ 4.50 (# 2873:20 Unique 2.39, 3.35 A)
&rst
ixpk= 2873, nxpk= 20, iat= 121, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 126, 127,
&end
#
# 9 LYS HE+ 9 LYS HG+ 4.50 (# 2874:20 Unique 2.39, 3.10 A)
&rst
ixpk= 2874, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 132, 133,
igr2= 126, 127,
&end
#
# 101 GLY HN 100 VAL MGX 4.50 (# 2876:20 Unique 2.62, 4.12 A)
&rst
ixpk= 2876, nxpk= 20, iat=1534, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1524,1525,1526,1528,1529,1530,
&end
#
# 99 MET HN 100 VAL MGX 5.50 (# 2877:20 Unique 3.96, 6.27 A)
&rst
ixpk= 2877, nxpk= 20, iat=1501, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1524,1525,1526,1528,1529,1530,
&end
#
# 100 VAL HN 100 VAL MGX 3.50 (# 2878:20 Unique 2.04, 3.89 A)
&rst
ixpk= 2878, nxpk= 20, iat=1518, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1524,1525,1526,1528,1529,1530,
&end
#
# 97 LYS HA 100 VAL MGX 3.50 (# 2879:20 Unique 2.25, 4.27 A)
&rst
ixpk= 2879, nxpk= 20, iat=1466, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1524,1525,1526,1528,1529,1530,
&end
#
# 100 VAL HA 100 VAL MGX 4.50 (# 2880:20 Unique 2.43, 3.13 A)
&rst
ixpk= 2880, nxpk= 20, iat=1520, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1524,1525,1526,1528,1529,1530,
&end
#
# 0 AMB 20-2:2881 100 VAL MGX 5.50 (# 2881:20 Single Ambig)
&rst
ixpk= 2881, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 927, 928, 927, 928,
igr2=1524,1525,1526,1528,1529,1530,
&end
#
# 0 AMB 20-2:2882 100 VAL MGX 2.80 (# 2882:20 Single Ambig)
&rst
ixpk= 2882, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.44, r4= 6.19,
igr1= 538, 539, 540, 885, 886, 887, 889, 890, 891,
igr2=1524,1525,1526,1528,1529,1530,
&end
#
# 116 PHE HD 117 VAL MGX 3.50 (# 2894:20 Unique 2.24, 5.68 A)
&rst
ixpk= 2894, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1786,1794,
igr2=1804,1805,1806,1808,1809,1810,
&end
#
# 25 ALA HA 117 VAL MGX 4.50 (# 2895:20 Unique 4.02, 6.45 A)
&rst
ixpk= 2895, nxpk= 20, iat= 395, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1804,1805,1806,1808,1809,1810,
&end
#
# 114 GLU HA 117 VAL MGX 5.50 (# 2896:20 Unique 2.21, 4.23 A)
&rst
ixpk= 2896, nxpk= 20, iat=1748, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1804,1805,1806,1808,1809,1810,
&end
#
# 0 AMB 20-2:2897 117 VAL MGX 5.50 (# 2897:20 Single Ambig)
&rst
ixpk= 2897, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 403,1155,
igr2=1804,1805,1806,1808,1809,1810,
&end
#
# 117 VAL HN 117 VAL MGX 3.50 (# 2898:20 Unique 2.05, 3.21 A)
&rst
ixpk= 2898, nxpk= 20, iat=1798, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1804,1805,1806,1808,1809,1810,
&end
#
# 26 LEU HA 117 VAL MGX 7.00 (# 2899:20 Unique 4.76, 7.05 A)
&rst
ixpk= 2899, nxpk= 20, iat= 405, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr2=1804,1805,1806,1808,1809,1810,
&end
#
# 35 HIS HA 117 VAL MGX 5.50 (# 2900:20 Unique 5.03, 7.49 A)
&rst
ixpk= 2900, nxpk= 20, iat= 546, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1804,1805,1806,1808,1809,1810,
&end
#
# 117 VAL HA 117 VAL MGX 3.50 (# 2902:20 Unique 2.30, 3.44 A)
&rst
ixpk= 2902, nxpk= 20, iat=1800, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1804,1805,1806,1808,1809,1810,
&end
#
# 117 VAL HB 117 VAL MGX 3.50 (# 2903:20 Unique 2.36, 2.65 A)
&rst
ixpk= 2903, nxpk= 20, iat=1802, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1804,1805,1806,1808,1809,1810,
&end
#
# 26 LEU HB- 117 VAL MGX 4.50 (# 2904:20 Unique 3.39, 6.75 A)
&rst
ixpk= 2904, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 407, 408,
igr2=1804,1805,1806,1808,1809,1810,
&end
#
# 0 AMB 20-2:2905 117 VAL MGX 3.50 (# 2905:20 Single Ambig)
&rst
ixpk= 2905, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1= 412, 413, 414, 416, 417, 418, 219, 220,
igr2=1804,1805,1806,1808,1809,1810,
&end
#
# 0 AMB 20-2:2906 117 VAL MGX 4.50 (# 2906:20 Single Ambig)
&rst
ixpk= 2906, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 410, 206, 207, 208, 570, 571, 572, 574, 575, 576,
igr2=1804,1805,1806,1808,1809,1810,
&end
#
# 120 LEU MDY 117 VAL MGX 4.50 (# 2908:20 Unique 2.26, 6.55 A)
&rst
ixpk= 2908, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1854,1855,1856,1858,1859,1860,
igr2=1804,1805,1806,1808,1809,1810,
&end
#
# 62 ARG HN 100 VAL MGX 5.50 (# 2909:20 Unique 2.76, 4.09 A)
&rst
ixpk= 2909, nxpk= 20, iat= 917, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1524,1525,1526,1528,1529,1530,
&end
#
# 61 LYS HA 100 VAL MGX 7.00 (# 2911:20 Unique 2.27, 3.73 A)
&rst
ixpk= 2911, nxpk= 20, iat= 897, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr2=1524,1525,1526,1528,1529,1530,
&end
#
# 0 AMB 20-2:2913 100 VAL MGX 5.50 (# 2913:20 Single Ambig)
&rst
ixpk= 2913, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1505,1506, 883,
igr2=1524,1525,1526,1528,1529,1530,
&end
#
# 100 VAL HB 100 VAL MGX 2.80 (# 2914:20 Unique 2.41, 2.67 A)
&rst
ixpk= 2914, nxpk= 20, iat=1522, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1524,1525,1526,1528,1529,1530,
&end
#
# 0 AMB 20-2:2915 100 VAL MGX 5.50 (# 2915:20 Single Ambig)
&rst
ixpk= 2915, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 871, 872, 407, 408,
igr2=1524,1525,1526,1528,1529,1530,
&end
#
# 20 GLY HN 19 LEU MDY 5.50 (# 2917:20 Unique 2.26, 5.78 A)
&rst
ixpk= 2917, nxpk= 20, iat= 309, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 299, 300, 301, 303, 304, 305,
&end
#
# 0 AMB 20-2:2918 19 LEU MDY 3.50 (# 2918:20 Single Ambig)
&rst
ixpk= 2918, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 292, 675,
igr2= 299, 300, 301, 303, 304, 305,
&end
#
# 36 LEU HN 36 LEU MDX 5.50 (# 2921:20 Unique 4.06, 5.43 A)
&rst
ixpk= 2921, nxpk= 20, iat= 561, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 570, 571, 572, 574, 575, 576,
&end
#
# 0 AMB 20-2:2922 36 LEU MDX 4.50 (# 2922:20 Single Ambig)
&rst
ixpk= 2922, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 879,1580,
igr2= 570, 571, 572, 574, 575, 576,
&end
#
# 0 AMB 20-2:2923 36 LEU MDX 4.50 (# 2923:20 Single Ambig)
&rst
ixpk= 2923, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 864, 580,
igr2= 570, 571, 572, 574, 575, 576,
&end
#
# 59 GLU HA 36 LEU MDX 5.50 (# 2924:20 Unique 3.32, 5.17 A)
&rst
ixpk= 2924, nxpk= 20, iat= 866, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 570, 571, 572, 574, 575, 576,
&end
#
# 113 CYS HA 36 LEU MDX 4.50 (# 2926:20 Unique 2.58, 6.06 A)
&rst
ixpk= 2926, nxpk= 20, iat=1737, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 570, 571, 572, 574, 575, 576,
&end
#
# 0 AMB 20-2:2927 36 LEU MDX 4.50 (# 2927:20 Single Ambig)
&rst
ixpk= 2927, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 881,1780, 582,
igr2= 570, 571, 572, 574, 575, 576,
&end
#
# 36 LEU HA 36 LEU MDX 3.50 (# 2928:20 Unique 2.17, 3.84 A)
&rst
ixpk= 2928, nxpk= 20, iat= 563, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 570, 571, 572, 574, 575, 576,
&end
#
# 104 MET HG- 36 LEU MDX 5.50 (# 2929:20 Unique 2.42, 5.00 A)
&rst
ixpk= 2929, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1587,1588,
igr2= 570, 571, 572, 574, 575, 576,
&end
#
# 104 MET HG+ 36 LEU MDX 5.50 (# 2930:20 Unique 2.42, 5.00 A)
&rst
ixpk= 2930, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1587,1588,
igr2= 570, 571, 572, 574, 575, 576,
&end
#
# 104 MET HB- 36 LEU MDX 5.50 (# 2931:20 Unique 2.34, 4.49 A)
&rst
ixpk= 2931, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1584,1585,
igr2= 570, 571, 572, 574, 575, 576,
&end
#
# 104 MET ME 36 LEU MDX 4.50 (# 2932:20 Unique 2.28, 4.92 A)
&rst
ixpk= 2932, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1591,1592,1593,
igr2= 570, 571, 572, 574, 575, 576,
&end
#
# 36 LEU HB- 36 LEU MDX 4.50 (# 2933:20 Unique 2.40, 3.33 A)
&rst
ixpk= 2933, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 565, 566,
igr2= 570, 571, 572, 574, 575, 576,
&end
#
# 104 MET HB+ 36 LEU MDX 4.50 (# 2934:20 Unique 2.34, 4.49 A)
&rst
ixpk= 2934, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1584,1585,
igr2= 570, 571, 572, 574, 575, 576,
&end
#
# 0 AMB 20-2:2935 36 LEU MDX 2.80 (# 2935:20 Single Ambig)
&rst
ixpk= 2935, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 858, 859, 860, 568,
igr2= 570, 571, 572, 574, 575, 576,
&end
#
# 0 AMB 20-2:2936 36 LEU MDX 2.80 (# 2936:20 Single Ambig)
&rst
ixpk= 2936, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1= 885, 886, 887, 889, 890, 891, 565, 566,
igr2= 570, 571, 572, 574, 575, 576,
&end
#
# 124 LYS HA 124 LYS HG- 5.50 (# 2943:20 Unique 2.32, 3.34 A)
&rst
ixpk= 2943, nxpk= 20, iat=1918, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1923,1924,
&end
#
# 124 LYS HB- 124 LYS HG- 3.50 (# 2944:20 Unique 2.30, 2.61 A)
&rst
ixpk= 2944, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1920,1921,
igr2=1923,1924,
&end
#
# 124 LYS HD+ 124 LYS HG- 2.80 (# 2945:20 Unique 2.34, 2.70 A)
&rst
ixpk= 2945, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1926,1927,
igr2=1923,1924,
&end
#
# 124 LYS HB- 124 LYS HG+ 4.50 (# 2946:20 Unique 2.30, 2.61 A)
&rst
ixpk= 2946, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1920,1921,
igr2=1923,1924,
&end
#
# 124 LYS HE+ 124 LYS HG- 5.50 (# 2947:20 Unique 2.32, 3.10 A)
&rst
ixpk= 2947, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1929,1930,
igr2=1923,1924,
&end
#
# 24 TRP HD1 13 LEU MDX 5.50 (# 2948:20 Unique 3.18, 7.61 A)
&rst
ixpk= 2948, nxpk= 20, iat= 377, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 183, 184, 185, 187, 188, 189,
&end
#
# 121 ARG HG- 13 LEU MDX 7.00 (# 2950:20 Unique 2.98, 6.57 A)
&rst
ixpk= 2950, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1=1871,1872,
igr2= 183, 184, 185, 187, 188, 189,
&end
#
# 14 ILE HN 13 LEU MDX 5.50 (# 2952:20 Unique 1.96, 4.79 A)
&rst
ixpk= 2952, nxpk= 20, iat= 193, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 183, 184, 185, 187, 188, 189,
&end
#
# 13 LEU HN 13 LEU MDX 5.50 (# 2953:20 Unique 1.92, 4.74 A)
&rst
ixpk= 2953, nxpk= 20, iat= 174, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 183, 184, 185, 187, 188, 189,
&end
#
# 26 LEU HA 13 LEU MDX 4.50 (# 2954:20 Unique 3.80, 6.15 A)
&rst
ixpk= 2954, nxpk= 20, iat= 405, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 183, 184, 185, 187, 188, 189,
&end
#
# 13 LEU HA 13 LEU MDX 3.50 (# 2955:20 Unique 2.43, 4.52 A)
&rst
ixpk= 2955, nxpk= 20, iat= 176, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 183, 184, 185, 187, 188, 189,
&end
#
# 13 LEU HB- 13 LEU MDX 4.50 (# 2957:20 Unique 2.33, 3.29 A)
&rst
ixpk= 2957, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 178, 179,
igr2= 183, 184, 185, 187, 188, 189,
&end
#
# 0 AMB 20-2:2958 13 LEU MDX 3.50 (# 2958:20 Single Ambig)
&rst
ixpk= 2958, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1802,1159,1160,
igr2= 183, 184, 185, 187, 188, 189,
&end
#
# 13 LEU HG 13 LEU MDX 4.50 (# 2959:20 Unique 2.37, 2.66 A)
&rst
ixpk= 2959, nxpk= 20, iat= 181, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 183, 184, 185, 187, 188, 189,
&end
#
# 0 AMB 20-2:2960 13 LEU MDX 2.80 (# 2960:20 Single Ambig)
&rst
ixpk= 2960, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
igr1=1804,1805,1806,1808,1809,1810, 412, 413, 414, 416,
417, 418,
igr2= 183, 184, 185, 187, 188, 189,
&end
#
# 117 VAL HA 13 LEU MDX 4.50 (# 2963:20 Unique 3.84, 5.76 A)
&rst
ixpk= 2963, nxpk= 20, iat=1800, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 183, 184, 185, 187, 188, 189,
&end
#
# 54 LEU HA 54 LEU MDY 3.50 (# 2964:20 Unique 2.11, 3.68 A)
&rst
ixpk= 2964, nxpk= 20, iat= 801, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 808, 809, 810, 812, 813, 814,
&end
#
# 0 AMB 20-2:2967 54 LEU MDY 2.80 (# 2967:20 Single Ambig)
&rst
ixpk= 2967, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 803, 804, 803, 804,
igr2= 808, 809, 810, 812, 813, 814,
&end
#
# 33 VAL HN 33 VAL MGX 5.50 (# 2979:20 Unique 2.38, 3.70 A)
&rst
ixpk= 2979, nxpk= 20, iat= 509, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 515, 516, 517, 519, 520, 521,
&end
#
# 0 AMB 20-2:2980 33 VAL MGX 4.50 (# 2980:20 Single Ambig)
&rst
ixpk= 2980, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 525, 544,
igr2= 515, 516, 517, 519, 520, 521,
&end
#
# 63 GLU HN 33 VAL MGX 3.50 (# 2981:20 Unique 2.85, 5.21 A)
&rst
ixpk= 2981, nxpk= 20, iat= 941, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 515, 516, 517, 519, 520, 521,
&end
#
# 0 AMB 20-2:2982 33 VAL MGX 7.00 (# 2982:20 Single Ambig)
&rst
ixpk= 2982, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 980, 403,
igr2= 515, 516, 517, 519, 520, 521,
&end
#
# 28 ILE HN 33 VAL MGX 5.50 (# 2983:20 Unique 3.34, 5.09 A)
&rst
ixpk= 2983, nxpk= 20, iat= 443, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 515, 516, 517, 519, 520, 521,
&end
#
# 35 HIS HD2 33 VAL MGX 4.50 (# 2984:20 Unique 3.29, 6.89 A)
&rst
ixpk= 2984, nxpk= 20, iat= 557, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 515, 516, 517, 519, 520, 521,
&end
#
# 27 TYR HD 33 VAL MGX 3.50 (# 2985:20 Unique 3.23, 6.45 A)
&rst
ixpk= 2985, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 430, 439,
igr2= 515, 516, 517, 519, 520, 521,
&end
#
# 33 VAL HA 33 VAL MGX 4.50 (# 2986:20 Unique 2.45, 3.46 A)
&rst
ixpk= 2986, nxpk= 20, iat= 511, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 515, 516, 517, 519, 520, 521,
&end
#
# 32 TYR HA 33 VAL MGX 4.50 (# 2987:20 Unique 3.09, 4.77 A)
&rst
ixpk= 2987, nxpk= 20, iat= 490, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 515, 516, 517, 519, 520, 521,
&end
#
# 27 TYR HA 33 VAL MGX 3.50 (# 2988:20 Unique 2.04, 4.06 A)
&rst
ixpk= 2988, nxpk= 20, iat= 424, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 515, 516, 517, 519, 520, 521,
&end
#
# 0 AMB 20-2:2991 33 VAL MGX 7.00 (# 2991:20 Single Ambig)
&rst
ixpk= 2991, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.33, r4=12.08,
igr1= 958, 483, 484,
igr2= 515, 516, 517, 519, 520, 521,
&end
#
# 65 LEU HA 33 VAL MGX 4.50 (# 2992:20 Unique 2.15, 3.60 A)
&rst
ixpk= 2992, nxpk= 20, iat= 982, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 515, 516, 517, 519, 520, 521,
&end
#
# 63 GLU HG+ 33 VAL MGX 3.50 (# 2995:20 Unique 2.24, 5.74 A)
&rst
ixpk= 2995, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 948, 949,
igr2= 515, 516, 517, 519, 520, 521,
&end
#
# 33 VAL HB 33 VAL MGX 3.50 (# 2996:20 Unique 2.32, 2.64 A)
&rst
ixpk= 2996, nxpk= 20, iat= 513, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 515, 516, 517, 519, 520, 521,
&end
#
# 65 LEU HB+ 33 VAL MGX 2.80 (# 2998:20 Unique 2.28, 4.59 A)
&rst
ixpk= 2998, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 984, 985,
igr2= 515, 516, 517, 519, 520, 521,
&end
#
# 84 TYR HE 80 LEU MDY 4.50 (# 3002:20 Unique 2.30, 5.46 A)
&rst
ixpk= 3002, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1267,1272,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 84 TYR HH 80 LEU MDY 4.50 (# 3003:20 Unique 2.71, 4.98 A)
&rst
ixpk= 3003, nxpk= 20, iat=1270, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 80 LEU HA 80 LEU MDY 3.50 (# 3004:20 Unique 2.15, 3.86 A)
&rst
ixpk= 3004, nxpk= 20, iat=1196, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 0 AMB 20-2:3005 80 LEU MDY 5.50 (# 3005:20 Single Ambig)
&rst
ixpk= 3005, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1818,1763,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 83 GLU HA 80 LEU MDY 5.50 (# 3006:20 Unique 5.21, 7.96 A)
&rst
ixpk= 3006, nxpk= 20, iat=1244, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 83 GLU HG+ 80 LEU MDY 3.50 (# 3007:20 Unique 2.44, 5.44 A)
&rst
ixpk= 3007, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1249,1250,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 80 LEU HG 80 LEU MDY 2.80 (# 3008:20 Unique 2.36, 2.66 A)
&rst
ixpk= 3008, nxpk= 20, iat=1201, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 0 AMB 20-2:3009 80 LEU MDY 2.80 (# 3009:20 Single Ambig)
&rst
ixpk= 3009, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.63, r4= 6.38,
igr1=1804,1805,1806,1808,1809,1810,1198,1199,1820,1821,
1822,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 80 LEU HN 80 LEU MDY 4.50 (# 3010:20 Unique 3.81, 5.19 A)
&rst
ixpk= 3010, nxpk= 20, iat=1194, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 89 VAL HN 89 VAL MGX 3.50 (# 3018:20 Unique 1.95, 3.74 A)
&rst
ixpk= 3018, nxpk= 20, iat=1347, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1353,1354,1355,1357,1358,1359,
&end
#
# 11 GLY HA+ 89 VAL MGX 5.50 (# 3020:20 Unique 2.11, 4.66 A)
&rst
ixpk= 3020, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 157, 158,
igr2=1353,1354,1355,1357,1358,1359,
&end
#
# 89 VAL HA 89 VAL MGX 3.50 (# 3021:20 Unique 2.43, 3.31 A)
&rst
ixpk= 3021, nxpk= 20, iat=1349, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1353,1354,1355,1357,1358,1359,
&end
#
# 0 AMB 20-2:3022 89 VAL MGX 2.80 (# 3022:20 Single Ambig)
&rst
ixpk= 3022, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1351,1367,1368,
igr2=1353,1354,1355,1357,1358,1359,
&end
#
# 90 GLU HN 89 VAL MGX 4.50 (# 3024:20 Unique 2.16, 4.27 A)
&rst
ixpk= 3024, nxpk= 20, iat=1363, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1353,1354,1355,1357,1358,1359,
&end
#
# 10 PRO HB- 89 VAL MGX 3.50 (# 3025:20 Unique 2.39, 4.31 A)
&rst
ixpk= 3025, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 148, 149,
igr2=1353,1354,1355,1357,1358,1359,
&end
#
# 0 AMB 20-2:3026 89 VAL MGX 2.80 (# 3026:20 Single Ambig)
&rst
ixpk= 3026, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1423,1424,1316,1317,1313,1314,
igr2=1353,1354,1355,1357,1358,1359,
&end
#
# 26 LEU HN 25 ALA MB 4.50 (# 3028:20 Unique 2.23, 3.20 A)
&rst
ixpk= 3028, nxpk= 20, iat= 403, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 397, 398, 399,
&end
#
# 33 VAL HA 25 ALA MB 7.00 (# 3029:20 Unique 4.48, 5.63 A)
&rst
ixpk= 3029, nxpk= 20, iat= 511, -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr2= 397, 398, 399,
&end
#
# 35 HIS HA 25 ALA MB 4.50 (# 3031:20 Unique 3.42, 4.41 A)
&rst
ixpk= 3031, nxpk= 20, iat= 546, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 397, 398, 399,
&end
#
# 25 ALA HA 25 ALA MB 3.50 (# 3032:20 Unique 2.40, 2.67 A)
&rst
ixpk= 3032, nxpk= 20, iat= 395, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 397, 398, 399,
&end
#
# 0 AMB 20-2:3033 25 ALA MB 2.80 (# 3033:20 Single Ambig)
&rst
ixpk= 3033, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.85, r4= 5.60,
igr1= 240, 241, 242, 515, 516, 517, 519, 520, 521,
igr2= 397, 398, 399,
&end
#
# 14 ILE HN 25 ALA MB 7.00 (# 3034:20 Unique 3.61, 4.81 A)
&rst
ixpk= 3034, nxpk= 20, iat= 193, -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr2= 397, 398, 399,
&end
#
# 0 AMB 20-2:3035 25 ALA MB 5.50 (# 3035:20 Single Ambig)
&rst
ixpk= 3035, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 525, 544,
igr2= 397, 398, 399,
&end
#
# 63 GLU HA 68 VAL MGY 5.50 (# 3038:20 Unique 4.63, 7.03 A)
&rst
ixpk= 3038, nxpk= 20, iat= 943, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1032,1033,1034,1036,1037,1038,
&end
#
# 0 AMB 20-2:3044 118 THR MG2 5.50 (# 3044:20 Single Ambig)
&rst
ixpk= 3044, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1267,1272,1896,1905,
igr2=1820,1821,1822,
&end
#
# 58 ALA HA 58 ALA MB 2.80 (# 3051:20 Unique 2.35, 2.69 A)
&rst
ixpk= 3051, nxpk= 20, iat= 856, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 858, 859, 860,
&end
#
# 96 ALA HN 120 LEU MDX 4.50 (# 3057:20 Unique 3.23, 5.30 A)
&rst
ixpk= 3057, nxpk= 20, iat=1454, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 116 PHE HE 120 LEU MDX 5.50 (# 3058:20 Unique 2.47, 4.51 A)
&rst
ixpk= 3058, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1788,1792,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 95 SER HA 120 LEU MDX 5.50 (# 3059:20 Unique 4.72, 7.57 A)
&rst
ixpk= 3059, nxpk= 20, iat=1445, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 0 AMB 20-2:3060 120 LEU MDX 2.80 (# 3060:20 Single Ambig)
&rst
ixpk= 3060, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1800,1456,1847,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 99 MET ME 120 LEU MDX 4.50 (# 3061:20 Unique 2.46, 4.80 A)
&rst
ixpk= 3061, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1512,1513,1514,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 0 AMB 20-2:3062 120 LEU MDX 3.50 (# 3062:20 Single Ambig)
&rst
ixpk= 3062, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.49, r4= 8.24,
igr1=1458,1459,1460,1852,1804,1805,1806,1808,1809,1810,
412, 413, 414, 416, 417, 418,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 0 AMB 20-2:3064 120 LEU MDX 2.80 (# 3064:20 Single Ambig)
&rst
ixpk= 3064, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=1849,1850, 531, 532, 533,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 0 AMB 20-2:3066 60 VAL MGY 4.50 (# 3066:20 Single Ambig)
&rst
ixpk= 3066, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1541, 580, 864,
igr2= 885, 886, 887, 889, 890, 891,
&end
#
# 59 GLU HA 60 VAL MGY 5.50 (# 3067:20 Unique 3.62, 5.72 A)
&rst
ixpk= 3067, nxpk= 20, iat= 866, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 885, 886, 887, 889, 890, 891,
&end
#
# 104 MET HG+ 60 VAL MGY 4.50 (# 3068:20 Unique 2.96, 6.28 A)
&rst
ixpk= 3068, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1587,1588,
igr2= 885, 886, 887, 889, 890, 891,
&end
#
# 64 ARG HN 68 VAL MGY 5.50 (# 3070:20 Unique 3.65, 6.20 A)
&rst
ixpk= 3070, nxpk= 20, iat= 956, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1032,1033,1034,1036,1037,1038,
&end
#
# 69 VAL HN 68 VAL MGY 5.50 (# 3071:20 Unique 2.28, 4.32 A)
&rst
ixpk= 3071, nxpk= 20, iat=1042, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1032,1033,1034,1036,1037,1038,
&end
#
# 68 VAL HN 68 VAL MGY 3.50 (# 3072:20 Unique 2.01, 3.73 A)
&rst
ixpk= 3072, nxpk= 20, iat=1026, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1032,1033,1034,1036,1037,1038,
&end
#
# 0 AMB 20-2:3073 68 VAL MGY 5.50 (# 3073:20 Single Ambig)
&rst
ixpk= 3073, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1014,1102,1111,
igr2=1032,1033,1034,1036,1037,1038,
&end
#
# 18 ARG HA 68 VAL MGY 5.50 (# 3074:20 Unique 4.08, 7.65 A)
&rst
ixpk= 3074, nxpk= 20, iat= 268, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1032,1033,1034,1036,1037,1038,
&end
#
# 68 VAL HA 68 VAL MGY 3.50 (# 3075:20 Unique 2.29, 3.18 A)
&rst
ixpk= 3075, nxpk= 20, iat=1028, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1032,1033,1034,1036,1037,1038,
&end
#
# 0 AMB 20-2:3076 68 VAL MGY 4.50 (# 3076:20 Single Ambig)
&rst
ixpk= 3076, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1018,1019,1018,1019,
igr2=1032,1033,1034,1036,1037,1038,
&end
#
# 63 GLU HG+ 68 VAL MGY 5.50 (# 3077:20 Unique 2.28, 5.32 A)
&rst
ixpk= 3077, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 948, 949,
igr2=1032,1033,1034,1036,1037,1038,
&end
#
# 0 AMB 20-2:3078 68 VAL MGY 4.50 (# 3078:20 Single Ambig)
&rst
ixpk= 3078, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 948, 949, 945, 946,
igr2=1032,1033,1034,1036,1037,1038,
&end
#
# 0 AMB 20-2:3079 68 VAL MGY 4.50 (# 3079:20 Single Ambig)
&rst
ixpk= 3079, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 960, 961, 984, 985,
igr2=1032,1033,1034,1036,1037,1038,
&end
#
# 0 AMB 20-2:3080 68 VAL MGY 2.80 (# 3080:20 Single Ambig)
&rst
ixpk= 3080, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1030, 945, 946,
igr2=1032,1033,1034,1036,1037,1038,
&end
#
# 25 ALA MB 68 VAL MGY 5.50 (# 3081:20 Unique 4.05, 6.27 A)
&rst
ixpk= 3081, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 397, 398, 399,
igr2=1032,1033,1034,1036,1037,1038,
&end
#
# 33 VAL MGX 68 VAL MGY 4.50 (# 3082:20 Unique 2.33, 5.86 A)
&rst
ixpk= 3082, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 515, 516, 517, 519, 520, 521,
igr2=1032,1033,1034,1036,1037,1038,
&end
#
# 118 THR HN 118 THR MG2 5.50 (# 3088:20 Unique 2.59, 4.02 A)
&rst
ixpk= 3088, nxpk= 20, iat=1814, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1820,1821,1822,
&end
#
# 0 AMB 20-2:3089 118 THR MG2 5.50 (# 3089:20 Single Ambig)
&rst
ixpk= 3089, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1828,1761,
igr2=1820,1821,1822,
&end
#
# 84 TYR HH 118 THR MG2 5.50 (# 3090:20 Unique 2.72, 5.01 A)
&rst
ixpk= 3090, nxpk= 20, iat=1270, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1820,1821,1822,
&end
#
# 122 TYR HA 118 THR MG2 3.50 (# 3091:20 Unique 4.86, 7.24 A)
&rst
ixpk= 3091, nxpk= 20, iat=1890, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1820,1821,1822,
&end
#
# 118 THR HB 118 THR MG2 3.50 (# 3092:20 Unique 2.33, 2.66 A)
&rst
ixpk= 3092, nxpk= 20, iat=1818, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1820,1821,1822,
&end
#
# 118 THR HA 118 THR MG2 3.50 (# 3093:20 Unique 2.33, 3.00 A)
&rst
ixpk= 3093, nxpk= 20, iat=1816, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1820,1821,1822,
&end
#
# 119 GLN HA 118 THR MG2 5.50 (# 3094:20 Unique 4.11, 6.01 A)
&rst
ixpk= 3094, nxpk= 20, iat=1830, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1820,1821,1822,
&end
#
# 125 SER HB+ 118 THR MG2 7.00 (# 3095:20 Unique 3.89, 6.71 A)
&rst
ixpk= 3095, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1=1942,1943,
igr2=1820,1821,1822,
&end
#
# 0 AMB 20-2:3097 118 THR MG2 2.80 (# 3097:20 Single Ambig)
&rst
ixpk= 3097, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1203,1204,1205,1207,1208,1209,1203,1204,1205,1207,
1208,1209,
igr2=1820,1821,1822,
&end
#
# 0 AMB 20-2:3099 58 ALA MB 4.50 (# 3099:20 Single Ambig)
&rst
ixpk= 3099, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1580, 854,
igr2= 858, 859, 860,
&end
#
# 59 GLU HN 58 ALA MB 3.50 (# 3100:20 Unique 2.50, 3.53 A)
&rst
ixpk= 3100, nxpk= 20, iat= 864, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 858, 859, 860,
&end
#
# 0 AMB 20-2:3101 0 AMB 20-1:3101 5.50 (# 3101:20 Double Ambig)
&rst
ixpk= 3101, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.37, r4=11.12,
igr1= 365,1553,1554,1290,1291,
igr2= 858, 859, 860,1353,1354,1355,1357,1358,1359,
&end
#
# 0 AMB 20-2:3102 58 ALA MB 4.50 (# 3102:20 Single Ambig)
&rst
ixpk= 3102, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1582, 845,
igr2= 858, 859, 860,
&end
#
# 0 AMB 20-2:3103 0 AMB 20-1:3103 4.50 (# 3103:20 Double Ambig)
&rst
ixpk= 3103, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 563, 142, 143,1672,
igr2= 858, 859, 860,1353,1354,1355,1357,1358,1359,
&end
#
# 88 PRO HB- 91 VAL MGX 7.00 (# 3105:20 Unique 2.41, 4.93 A)
&rst
ixpk= 3105, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1=1340,1341,
igr2=1384,1385,1386,1388,1389,1390,
&end
#
# 88 PRO HB+ 91 VAL MGX 3.50 (# 3106:20 Unique 2.41, 4.93 A)
&rst
ixpk= 3106, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1340,1341,
igr2=1384,1385,1386,1388,1389,1390,
&end
#
# 72 CYS HN 69 VAL MGY 4.50 (# 3107:20 Unique 4.63, 5.81 A)
&rst
ixpk= 3107, nxpk= 20, iat=1072, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1048,1049,1050,1052,1053,1054,
&end
#
# 74 TYR HH 69 VAL MGY 5.50 (# 3109:20 Unique 3.35, 5.67 A)
&rst
ixpk= 3109, nxpk= 20, iat=1107, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1048,1049,1050,1052,1053,1054,
&end
#
# 69 VAL HA 69 VAL MGY 5.50 (# 3110:20 Unique 2.29, 3.20 A)
&rst
ixpk= 3110, nxpk= 20, iat=1044, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1048,1049,1050,1052,1053,1054,
&end
#
# 74 TYR HB- 69 VAL MGY 7.00 (# 3111:20 Unique 2.57, 5.22 A)
&rst
ixpk= 3111, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1=1098,1099,
igr2=1048,1049,1050,1052,1053,1054,
&end
#
# 69 VAL HN 69 VAL MGY 4.50 (# 3112:20 Unique 2.13, 3.64 A)
&rst
ixpk= 3112, nxpk= 20, iat=1042, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1048,1049,1050,1052,1053,1054,
&end
#
# 70 GLY HN 69 VAL MGY 4.50 (# 3113:20 Unique 3.04, 4.79 A)
&rst
ixpk= 3113, nxpk= 20, iat=1058, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1048,1049,1050,1052,1053,1054,
&end
#
# 74 TYR HD 69 VAL MGY 3.50 (# 3114:20 Unique 2.41, 4.97 A)
&rst
ixpk= 3114, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1102,1111,
igr2=1048,1049,1050,1052,1053,1054,
&end
#
# 0 AMB 20-2:3116 69 VAL MGY 4.50 (# 3116:20 Single Ambig)
&rst
ixpk= 3116, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1076,1077,1087,1088,
igr2=1048,1049,1050,1052,1053,1054,
&end
#
# 69 VAL HB 69 VAL MGY 3.50 (# 3117:20 Unique 2.36, 2.66 A)
&rst
ixpk= 3117, nxpk= 20, iat=1046, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1048,1049,1050,1052,1053,1054,
&end
#
# 61 LYS HN 60 VAL MGY 4.50 (# 3118:20 Unique 2.80, 4.31 A)
&rst
ixpk= 3118, nxpk= 20, iat= 895, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 885, 886, 887, 889, 890, 891,
&end
#
# 60 VAL HN 60 VAL MGY 3.50 (# 3119:20 Unique 2.13, 3.87 A)
&rst
ixpk= 3119, nxpk= 20, iat= 879, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 885, 886, 887, 889, 890, 891,
&end
#
# 116 PHE HE 60 VAL MGY 4.50 (# 3120:20 Unique 2.25, 5.22 A)
&rst
ixpk= 3120, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1788,1792,
igr2= 885, 886, 887, 889, 890, 891,
&end
#
# 60 VAL HA 60 VAL MGY 4.50 (# 3121:20 Unique 2.45, 3.16 A)
&rst
ixpk= 3121, nxpk= 20, iat= 881, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 885, 886, 887, 889, 890, 891,
&end
#
# 36 LEU HA 60 VAL MGY 5.50 (# 3122:20 Unique 3.01, 4.48 A)
&rst
ixpk= 3122, nxpk= 20, iat= 563, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 885, 886, 887, 889, 890, 891,
&end
#
# 0 AMB 20-2:3124 60 VAL MGY 3.50 (# 3124:20 Single Ambig)
&rst
ixpk= 3124, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1505,1506, 883,
igr2= 885, 886, 887, 889, 890, 891,
&end
#
# 104 MET ME 60 VAL MGY 4.50 (# 3125:20 Unique 2.17, 4.70 A)
&rst
ixpk= 3125, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1591,1592,1593,
igr2= 885, 886, 887, 889, 890, 891,
&end
#
# 0 AMB 20-2:3127 60 VAL MGY 7.00 (# 3127:20 Single Ambig)
&rst
ixpk= 3127, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.33, r4=12.08,
igr1=1503,1536,1537,
igr2= 885, 886, 887, 889, 890, 891,
&end
#
# 0 AMB 20-2:3128 60 VAL MGY 3.50 (# 3128:20 Single Ambig)
&rst
ixpk= 3128, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1545,1546,1512,1513,1514,
igr2= 885, 886, 887, 889, 890, 891,
&end
#
# 0 AMB 20-2:3136 91 VAL MGX 5.50 (# 3136:20 Single Ambig)
&rst
ixpk= 3136, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1394,1909,
igr2=1384,1385,1386,1388,1389,1390,
&end
#
# 91 VAL HN 91 VAL MGX 3.50 (# 3137:20 Unique 2.02, 3.74 A)
&rst
ixpk= 3137, nxpk= 20, iat=1378, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1384,1385,1386,1388,1389,1390,
&end
#
# 91 VAL HA 91 VAL MGX 3.50 (# 3138:20 Unique 2.45, 3.17 A)
&rst
ixpk= 3138, nxpk= 20, iat=1380, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1384,1385,1386,1388,1389,1390,
&end
#
# 90 GLU HG+ 91 VAL MGX 4.50 (# 3139:20 Unique 2.50, 6.89 A)
&rst
ixpk= 3139, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1370,1371,
igr2=1384,1385,1386,1388,1389,1390,
&end
#
# 0 AMB 20-2:3140 91 VAL MGX 2.80 (# 3140:20 Single Ambig)
&rst
ixpk= 3140, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1382,1337,1338,
igr2=1384,1385,1386,1388,1389,1390,
&end
#
# 0 AMB 20-2:3146 0 AMB 20-1:3146 5.50 (# 3146:20 Double Ambig)
&rst
ixpk= 3146, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=1541,1454, 580,
igr2=1524,1525,1526,1528,1529,1530,1384,1385,1386,1388,
1389,1390,
&end
#
# 101 GLY HN 100 VAL MGY 4.50 (# 3147:20 Unique 2.62, 4.12 A)
&rst
ixpk= 3147, nxpk= 20, iat=1534, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1524,1525,1526,1528,1529,1530,
&end
#
# 62 ARG HN 100 VAL MGY 4.50 (# 3148:20 Unique 2.76, 4.09 A)
&rst
ixpk= 3148, nxpk= 20, iat= 917, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1524,1525,1526,1528,1529,1530,
&end
#
# 61 LYS HA 100 VAL MGY 4.50 (# 3150:20 Unique 2.27, 3.73 A)
&rst
ixpk= 3150, nxpk= 20, iat= 897, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1524,1525,1526,1528,1529,1530,
&end
#
# 101 GLY HA- 100 VAL MGY 4.50 (# 3151:20 Unique 3.30, 5.65 A)
&rst
ixpk= 3151, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1536,1537,
igr2=1524,1525,1526,1528,1529,1530,
&end
#
# 100 VAL HA 100 VAL MGY 4.50 (# 3152:20 Unique 2.43, 3.13 A)
&rst
ixpk= 3152, nxpk= 20, iat=1520, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1524,1525,1526,1528,1529,1530,
&end
#
# 0 AMB 20-2:3153 0 AMB 20-1:3153 2.80 (# 3153:20 Double Ambig)
&rst
ixpk= 3153, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1522,1337,1338,
igr2=1524,1525,1526,1528,1529,1530,1384,1385,1386,1388,
1389,1390,
&end
#
# 0 AMB 20-2:3154 0 AMB 20-1:3154 3.50 (# 3154:20 Double Ambig)
&rst
ixpk= 3154, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 924, 925, 921, 922,1920,1921,
igr2=1524,1525,1526,1528,1529,1530,1384,1385,1386,1388,
1389,1390,
&end
#
# 77 ASN HN 76 VAL MGX 5.50 (# 3156:20 Unique 2.68, 4.53 A)
&rst
ixpk= 3156, nxpk= 20, iat=1155, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1145,1146,1147,1149,1150,1151,
&end
#
# 76 VAL HN 76 VAL MGX 4.50 (# 3157:20 Unique 1.97, 3.50 A)
&rst
ixpk= 3157, nxpk= 20, iat=1139, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1145,1146,1147,1149,1150,1151,
&end
#
# 8 PRO HA 76 VAL MGX 3.50 (# 3158:20 Unique 2.09, 3.77 A)
&rst
ixpk= 3158, nxpk= 20, iat= 115, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1145,1146,1147,1149,1150,1151,
&end
#
# 12 ASP HB- 76 VAL MGX 5.50 (# 3159:20 Unique 2.74, 5.48 A)
&rst
ixpk= 3159, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 166, 167,
igr2=1145,1146,1147,1149,1150,1151,
&end
#
# 0 AMB 20-2:3160 76 VAL MGX 5.50 (# 3160:20 Single Ambig)
&rst
ixpk= 3160, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1173,1174, 166, 167,
igr2=1145,1146,1147,1149,1150,1151,
&end
#
# 8 PRO HB- 76 VAL MGX 4.50 (# 3161:20 Unique 2.30, 4.90 A)
&rst
ixpk= 3161, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 112, 113,
igr2=1145,1146,1147,1149,1150,1151,
&end
#
# 0 AMB 20-2:3162 76 VAL MGX 2.80 (# 3162:20 Single Ambig)
&rst
ixpk= 3162, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 199, 200, 201, 206, 207, 208,
igr2=1145,1146,1147,1149,1150,1151,
&end
#
# 90 GLU HN 89 VAL MGY 4.50 (# 3163:20 Unique 2.16, 4.27 A)
&rst
ixpk= 3163, nxpk= 20, iat=1363, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1353,1354,1355,1357,1358,1359,
&end
#
# 0 AMB 20-2:3165 76 VAL MGX 2.80 (# 3165:20 Single Ambig)
&rst
ixpk= 3165, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1143, 77, 78,
igr2=1145,1146,1147,1149,1150,1151,
&end
#
# 89 VAL HN 89 VAL MGY 4.50 (# 3177:20 Unique 1.95, 3.74 A)
&rst
ixpk= 3177, nxpk= 20, iat=1347, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1353,1354,1355,1357,1358,1359,
&end
#
# 89 VAL HA 89 VAL MGY 4.50 (# 3178:20 Unique 2.43, 3.31 A)
&rst
ixpk= 3178, nxpk= 20, iat=1349, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1353,1354,1355,1357,1358,1359,
&end
#
# 11 GLY HA- 89 VAL MGY 5.50 (# 3179:20 Unique 2.11, 4.66 A)
&rst
ixpk= 3179, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 157, 158,
igr2=1353,1354,1355,1357,1358,1359,
&end
#
# 90 GLU HG+ 89 VAL MGY 5.50 (# 3180:20 Unique 2.39, 5.82 A)
&rst
ixpk= 3180, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1370,1371,
igr2=1353,1354,1355,1357,1358,1359,
&end
#
# 0 AMB 20-2:3181 89 VAL MGY 2.80 (# 3181:20 Single Ambig)
&rst
ixpk= 3181, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1351,1367,1368,
igr2=1353,1354,1355,1357,1358,1359,
&end
#
# 69 VAL HN 69 VAL MGX 3.50 (# 3186:20 Unique 2.13, 3.64 A)
&rst
ixpk= 3186, nxpk= 20, iat=1042, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1048,1049,1050,1052,1053,1054,
&end
#
# 70 GLY HN 69 VAL MGX 4.50 (# 3187:20 Unique 3.04, 4.79 A)
&rst
ixpk= 3187, nxpk= 20, iat=1058, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1048,1049,1050,1052,1053,1054,
&end
#
# 74 TYR HD 69 VAL MGX 5.50 (# 3188:20 Unique 2.41, 4.97 A)
&rst
ixpk= 3188, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1102,1111,
igr2=1048,1049,1050,1052,1053,1054,
&end
#
# 66 GLU HA 69 VAL MGX 4.50 (# 3189:20 Unique 2.24, 4.74 A)
&rst
ixpk= 3189, nxpk= 20, iat=1001, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1048,1049,1050,1052,1053,1054,
&end
#
# 69 VAL HA 69 VAL MGX 3.50 (# 3190:20 Unique 2.29, 3.20 A)
&rst
ixpk= 3190, nxpk= 20, iat=1044, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1048,1049,1050,1052,1053,1054,
&end
#
# 74 TYR HB- 69 VAL MGX 5.50 (# 3191:20 Unique 2.57, 5.22 A)
&rst
ixpk= 3191, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1098,1099,
igr2=1048,1049,1050,1052,1053,1054,
&end
#
# 69 VAL HB 69 VAL MGX 3.50 (# 3192:20 Unique 2.36, 2.66 A)
&rst
ixpk= 3192, nxpk= 20, iat=1046, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1048,1049,1050,1052,1053,1054,
&end
#
# 74 TYR HH 69 VAL MGX 5.50 (# 3193:20 Unique 3.35, 5.67 A)
&rst
ixpk= 3193, nxpk= 20, iat=1107, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1048,1049,1050,1052,1053,1054,
&end
#
# 0 AMB 20-2:3194 69 VAL MGX 3.50 (# 3194:20 Single Ambig)
&rst
ixpk= 3194, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.80, r4= 7.55,
igr1= 233, 234, 235, 515, 516, 517, 519, 520, 521,
igr2=1048,1049,1050,1052,1053,1054,
&end
#
# 13 LEU MDX 117 VAL MGY 2.80 (# 3198:20 Unique 2.20, 4.82 A)
&rst
ixpk= 3198, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 183, 184, 185, 187, 188, 189,
igr2=1804,1805,1806,1808,1809,1810,
&end
#
# 109 VAL HA 109 VAL MGY 3.50 (# 3210:20 Unique 2.46, 3.34 A)
&rst
ixpk= 3210, nxpk= 20, iat=1672, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1676,1677,1678,1680,1681,1682,
&end
#
# 50 VAL HA 50 VAL MGX 4.50 (# 3212:20 Unique 2.34, 3.50 A)
&rst
ixpk= 3212, nxpk= 20, iat= 738, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 742, 743, 744, 746, 747, 748,
&end
#
# 74 TYR HE 69 VAL MGX 4.50 (# 3217:20 Unique 2.26, 5.06 A)
&rst
ixpk= 3217, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1104,1109,
igr2=1048,1049,1050,1052,1053,1054,
&end
#
# 0 AMB 20-2:3218 69 VAL MGX 5.50 (# 3218:20 Single Ambig)
&rst
ixpk= 3218, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1117, 195, 268,
igr2=1048,1049,1050,1052,1053,1054,
&end
#
# 68 VAL HA 69 VAL MGX 4.50 (# 3219:20 Unique 5.17, 6.72 A)
&rst
ixpk= 3219, nxpk= 20, iat=1028, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1048,1049,1050,1052,1053,1054,
&end
#
# 68 VAL HB 69 VAL MGX 3.50 (# 3220:20 Unique 2.98, 5.20 A)
&rst
ixpk= 3220, nxpk= 20, iat=1030, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1048,1049,1050,1052,1053,1054,
&end
#
# 16 ILE HG1+ 69 VAL MGX 4.50 (# 3221:20 Unique 4.40, 7.49 A)
&rst
ixpk= 3221, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 237, 238,
igr2=1048,1049,1050,1052,1053,1054,
&end
#
# 0 AMB 20-2:3222 69 VAL MGX 3.50 (# 3222:20 Single Ambig)
&rst
ixpk= 3222, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 987, 109, 110,
igr2=1048,1049,1050,1052,1053,1054,
&end
#
# 118 THR HN 117 VAL MGY 5.50 (# 3228:20 Unique 2.62, 4.43 A)
&rst
ixpk= 3228, nxpk= 20, iat=1814, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1804,1805,1806,1808,1809,1810,
&end
#
# 24 TRP HD1 117 VAL MGY 4.50 (# 3229:20 Unique 2.25, 5.65 A)
&rst
ixpk= 3229, nxpk= 20, iat= 377, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1804,1805,1806,1808,1809,1810,
&end
#
# 116 PHE HD 117 VAL MGY 7.00 (# 3230:20 Unique 2.24, 5.68 A)
&rst
ixpk= 3230, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1=1786,1794,
igr2=1804,1805,1806,1808,1809,1810,
&end
#
# 117 VAL HN 117 VAL MGY 4.50 (# 3231:20 Unique 2.05, 3.21 A)
&rst
ixpk= 3231, nxpk= 20, iat=1798, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1804,1805,1806,1808,1809,1810,
&end
#
# 117 VAL HA 117 VAL MGY 4.50 (# 3233:20 Unique 2.30, 3.44 A)
&rst
ixpk= 3233, nxpk= 20, iat=1800, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1804,1805,1806,1808,1809,1810,
&end
#
# 114 GLU HA 117 VAL MGY 4.50 (# 3234:20 Unique 2.21, 4.23 A)
&rst
ixpk= 3234, nxpk= 20, iat=1748, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1804,1805,1806,1808,1809,1810,
&end
#
# 24 TRP HB+ 117 VAL MGY 4.50 (# 3235:20 Unique 2.30, 4.03 A)
&rst
ixpk= 3235, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 373, 374,
igr2=1804,1805,1806,1808,1809,1810,
&end
#
# 24 TRP HB- 117 VAL MGY 4.50 (# 3236:20 Unique 2.30, 4.03 A)
&rst
ixpk= 3236, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 373, 374,
igr2=1804,1805,1806,1808,1809,1810,
&end
#
# 117 VAL HB 117 VAL MGY 4.50 (# 3237:20 Unique 2.36, 2.65 A)
&rst
ixpk= 3237, nxpk= 20, iat=1802, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1804,1805,1806,1808,1809,1810,
&end
#
# 13 LEU HB+ 117 VAL MGY 4.50 (# 3239:20 Unique 2.45, 5.58 A)
&rst
ixpk= 3239, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 178, 179,
igr2=1804,1805,1806,1808,1809,1810,
&end
#
# 78 ASN HD2+ 76 VAL MGY 4.50 (# 3242:20 Unique 3.81, 6.42 A)
&rst
ixpk= 3242, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1178,1179,
igr2=1145,1146,1147,1149,1150,1151,
&end
#
# 8 PRO HA 76 VAL MGY 5.50 (# 3243:20 Unique 2.09, 3.77 A)
&rst
ixpk= 3243, nxpk= 20, iat= 115, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1145,1146,1147,1149,1150,1151,
&end
#
# 77 ASN HN 76 VAL MGY 4.50 (# 3246:20 Unique 2.68, 4.53 A)
&rst
ixpk= 3246, nxpk= 20, iat=1155, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1145,1146,1147,1149,1150,1151,
&end
#
# 78 ASN HN 76 VAL MGY 5.50 (# 3247:20 Unique 2.95, 5.82 A)
&rst
ixpk= 3247, nxpk= 20, iat=1169, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1145,1146,1147,1149,1150,1151,
&end
#
# 0 AMB 20-2:3248 76 VAL MGY 4.50 (# 3248:20 Single Ambig)
&rst
ixpk= 3248, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1157, 164,
igr2=1145,1146,1147,1149,1150,1151,
&end
#
# 12 ASP HB- 76 VAL MGY 5.50 (# 3249:20 Unique 2.74, 5.48 A)
&rst
ixpk= 3249, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 166, 167,
igr2=1145,1146,1147,1149,1150,1151,
&end
#
# 0 AMB 20-2:3250 76 VAL MGY 2.80 (# 3250:20 Single Ambig)
&rst
ixpk= 3250, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1143, 77, 78,
igr2=1145,1146,1147,1149,1150,1151,
&end
#
# 0 AMB 20-2:3265 76 VAL MGY 4.50 (# 3265:20 Single Ambig)
&rst
ixpk= 3265, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1173,1174, 166, 167,
igr2=1145,1146,1147,1149,1150,1151,
&end
#
# 13 LEU HG 76 VAL MGY 4.50 (# 3268:20 Unique 4.80, 7.62 A)
&rst
ixpk= 3268, nxpk= 20, iat= 181, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1145,1146,1147,1149,1150,1151,
&end
#
# 0 AMB 20-2:3272 53 VAL MGY 4.50 (# 3272:20 Single Ambig)
&rst
ixpk= 3272, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 776, 777, 729, 730,
igr2= 789, 790, 791, 793, 794, 795,
&end
#
# 41 GLU HG+ 53 VAL MGY 5.50 (# 3275:20 Unique 2.20, 6.65 A)
&rst
ixpk= 3275, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 636, 637,
igr2= 789, 790, 791, 793, 794, 795,
&end
#
# 49 SER HA 50 VAL MGY 5.50 (# 3279:20 Unique 3.28, 5.63 A)
&rst
ixpk= 3279, nxpk= 20, iat= 727, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 742, 743, 744, 746, 747, 748,
&end
#
# 51 PHE HA 50 VAL MGY 3.50 (# 3284:20 Unique 3.77, 5.88 A)
&rst
ixpk= 3284, nxpk= 20, iat= 754, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 742, 743, 744, 746, 747, 748,
&end
#
# 50 VAL HA 50 VAL MGY 4.50 (# 3285:20 Unique 2.34, 3.50 A)
&rst
ixpk= 3285, nxpk= 20, iat= 738, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 742, 743, 744, 746, 747, 748,
&end
#
# 0 AMB 20-2:3286 50 VAL MGY 3.50 (# 3286:20 Single Ambig)
&rst
ixpk= 3286, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 740, 669, 670,
igr2= 742, 743, 744, 746, 747, 748,
&end
#
# 45 ALA MB 50 VAL MGY 4.50 (# 3288:20 Unique 2.25, 6.96 A)
&rst
ixpk= 3288, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 690, 691, 692,
igr2= 742, 743, 744, 746, 747, 748,
&end
#
# 96 ALA HN 96 ALA MB 3.50 (# 3299:20 Unique 2.31, 2.86 A)
&rst
ixpk= 3299, nxpk= 20, iat=1454, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1458,1459,1460,
&end
#
# 93 ILE HA 96 ALA MB 4.50 (# 3301:20 Unique 2.61, 3.49 A)
&rst
ixpk= 3301, nxpk= 20, iat=1415, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1458,1459,1460,
&end
#
# 120 LEU MDY 96 ALA MB 3.50 (# 3302:20 Unique 2.22, 4.55 A)
&rst
ixpk= 3302, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1854,1855,1856,1858,1859,1860,
igr2=1458,1459,1460,
&end
#
# 97 LYS HN 96 ALA MB 3.50 (# 3311:20 Unique 2.39, 3.33 A)
&rst
ixpk= 3311, nxpk= 20, iat=1464, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1458,1459,1460,
&end
#
# 96 ALA HA 96 ALA MB 2.80 (# 3312:20 Unique 2.39, 2.68 A)
&rst
ixpk= 3312, nxpk= 20, iat=1456, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1458,1459,1460,
&end
#
# 34 ILE QG2 96 ALA MB 2.80 (# 3313:20 Unique 2.23, 4.20 A)
&rst
ixpk= 3313, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 531, 532, 533,
igr2=1458,1459,1460,
&end
#
# 0 AMB 20-2:3314 96 ALA MB 2.80 (# 3314:20 Single Ambig)
&rst
ixpk= 3314, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 538, 539, 540, 449, 450, 451,
igr2=1458,1459,1460,
&end
#
# 0 AMB 20-2:3315 96 ALA MB 3.50 (# 3315:20 Single Ambig)
&rst
ixpk= 3315, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.81, r4= 6.56,
igr1=1854,1855,1856,1858,1859,1860, 410,
igr2=1458,1459,1460,
&end
#
# 0 AMB 20-2:3316 37 ALA MB 3.50 (# 3316:20 Single Ambig)
&rst
ixpk= 3316, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 864, 580,
igr2= 584, 585, 586,
&end
#
# 0 AMB 20-2:3318 37 ALA MB 5.50 (# 3318:20 Single Ambig)
&rst
ixpk= 3318, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 362, 657,
igr2= 584, 585, 586,
&end
#
# 0 AMB 20-2:3319 37 ALA MB 7.00 (# 3319:20 Single Ambig)
&rst
ixpk= 3319, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 897, 831,
igr2= 584, 585, 586,
&end
#
# 0 AMB 20-2:3321 37 ALA MB 4.50 (# 3321:20 Single Ambig)
&rst
ixpk= 3321, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 785, 563,
igr2= 584, 585, 586,
&end
#
# 38 PRO HD- 37 ALA MB 4.50 (# 3322:20 Unique 2.35, 4.16 A)
&rst
ixpk= 3322, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 591, 592,
igr2= 584, 585, 586,
&end
#
# 38 PRO HD+ 37 ALA MB 4.50 (# 3323:20 Unique 2.35, 4.16 A)
&rst
ixpk= 3323, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 591, 592,
igr2= 584, 585, 586,
&end
#
# 61 LYS HE+ 37 ALA MB 4.50 (# 3324:20 Unique 2.89, 5.47 A)
&rst
ixpk= 3324, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 908, 909,
igr2= 584, 585, 586,
&end
#
# 61 LYS HB- 37 ALA MB 3.50 (# 3325:20 Unique 3.42, 5.38 A)
&rst
ixpk= 3325, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 899, 900,
igr2= 584, 585, 586,
&end
#
# 36 LEU MDX 37 ALA MB 5.50 (# 3327:20 Unique 3.57, 6.85 A)
&rst
ixpk= 3327, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 570, 571, 572, 574, 575, 576,
igr2= 584, 585, 586,
&end
#
# 51 PHE HA 45 ALA MB 4.50 (# 3331:20 Unique 2.38, 6.95 A)
&rst
ixpk= 3331, nxpk= 20, iat= 754, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 690, 691, 692,
&end
#
# 45 ALA HA 45 ALA MB 3.50 (# 3333:20 Unique 2.43, 2.67 A)
&rst
ixpk= 3333, nxpk= 20, iat= 688, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 690, 691, 692,
&end
#
# 37 ALA HA 37 ALA MB 3.50 (# 3336:20 Unique 2.43, 2.66 A)
&rst
ixpk= 3336, nxpk= 20, iat= 582, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 584, 585, 586,
&end
#
# 0 AMB 20-2:3338 37 ALA MB 2.80 (# 3338:20 Single Ambig)
&rst
ixpk= 3338, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 905, 906, 905, 906,
igr2= 584, 585, 586,
&end
#
# 36 LEU MDX 37 ALA MB 4.50 (# 3340:20 Unique 3.57, 6.85 A)
&rst
ixpk= 3340, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 570, 571, 572, 574, 575, 576,
igr2= 584, 585, 586,
&end
#
# 33 VAL HN 33 VAL MGY 5.50 (# 3348:20 Unique 2.38, 3.70 A)
&rst
ixpk= 3348, nxpk= 20, iat= 509, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 515, 516, 517, 519, 520, 521,
&end
#
# 63 GLU HN 33 VAL MGY 4.50 (# 3349:20 Unique 2.85, 5.21 A)
&rst
ixpk= 3349, nxpk= 20, iat= 941, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 515, 516, 517, 519, 520, 521,
&end
#
# 33 VAL HA 33 VAL MGY 4.50 (# 3350:20 Unique 2.45, 3.46 A)
&rst
ixpk= 3350, nxpk= 20, iat= 511, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 515, 516, 517, 519, 520, 521,
&end
#
# 32 TYR HA 33 VAL MGY 5.50 (# 3351:20 Unique 3.09, 4.77 A)
&rst
ixpk= 3351, nxpk= 20, iat= 490, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 515, 516, 517, 519, 520, 521,
&end
#
# 65 LEU HA 33 VAL MGY 4.50 (# 3353:20 Unique 2.15, 3.60 A)
&rst
ixpk= 3353, nxpk= 20, iat= 982, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 515, 516, 517, 519, 520, 521,
&end
#
# 0 AMB 20-2:3354 33 VAL MGY 5.50 (# 3354:20 Single Ambig)
&rst
ixpk= 3354, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 945, 946, 948, 949,
igr2= 515, 516, 517, 519, 520, 521,
&end
#
# 33 VAL HB 33 VAL MGY 4.50 (# 3355:20 Unique 2.32, 2.64 A)
&rst
ixpk= 3355, nxpk= 20, iat= 513, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 515, 516, 517, 519, 520, 521,
&end
#
# 63 GLU HB+ 33 VAL MGY 5.50 (# 3356:20 Unique 2.07, 5.20 A)
&rst
ixpk= 3356, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 945, 946,
igr2= 515, 516, 517, 519, 520, 521,
&end
#
# 25 ALA MB 33 VAL MGY 3.50 (# 3357:20 Unique 2.64, 4.65 A)
&rst
ixpk= 3357, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 397, 398, 399,
igr2= 515, 516, 517, 519, 520, 521,
&end
#
# 74 TYR HB- 16 ILE QG2 4.50 (# 3359:20 Unique 2.29, 4.30 A)
&rst
ixpk= 3359, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1098,1099,
igr2= 233, 234, 235,
&end
#
# 17 PHE HN 16 ILE QG2 4.50 (# 3361:20 Unique 2.55, 3.67 A)
&rst
ixpk= 3361, nxpk= 20, iat= 246, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 233, 234, 235,
&end
#
# 74 TYR HA 16 ILE QG2 4.50 (# 3362:20 Unique 2.94, 4.40 A)
&rst
ixpk= 3362, nxpk= 20, iat=1096, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 233, 234, 235,
&end
#
# 16 ILE HA 16 ILE QG2 4.50 (# 3363:20 Unique 2.51, 3.07 A)
&rst
ixpk= 3363, nxpk= 20, iat= 229, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 233, 234, 235,
&end
#
# 0 AMB 20-2:3364 16 ILE QG2 4.50 (# 3364:20 Single Ambig)
&rst
ixpk= 3364, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1044, 548, 549,
igr2= 233, 234, 235,
&end
#
# 72 CYS HB- 16 ILE QG2 4.50 (# 3365:20 Unique 2.10, 2.90 A)
&rst
ixpk= 3365, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1076,1077,
igr2= 233, 234, 235,
&end
#
# 0 AMB 20-2:3366 16 ILE QG2 4.50 (# 3366:20 Single Ambig)
&rst
ixpk= 3366, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1076,1077, 276, 277,
igr2= 233, 234, 235,
&end
#
# 16 ILE HB 16 ILE QG2 3.50 (# 3367:20 Unique 2.37, 2.66 A)
&rst
ixpk= 3367, nxpk= 20, iat= 231, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 233, 234, 235,
&end
#
# 0 AMB 20-2:3368 16 ILE QG2 2.80 (# 3368:20 Single Ambig)
&rst
ixpk= 3368, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
igr1= 240, 241, 242, 237, 238,
igr2= 233, 234, 235,
&end
#
# 0 AMB 20-2:3370 33 VAL MGY 4.50 (# 3370:20 Single Ambig)
&rst
ixpk= 3370, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 525, 544,
igr2= 515, 516, 517, 519, 520, 521,
&end
#
# 0 AMB 20-2:3371 33 VAL MGY 5.50 (# 3371:20 Single Ambig)
&rst
ixpk= 3371, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 980, 403,
igr2= 515, 516, 517, 519, 520, 521,
&end
#
# 0 AMB 20-2:3372 33 VAL MGY 5.50 (# 3372:20 Single Ambig)
&rst
ixpk= 3372, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.64, r4=12.39,
igr1= 531, 532, 533,1145,1146,1147,1149,1150,1151, 183,
184, 185, 187, 188, 189,
igr2= 515, 516, 517, 519, 520, 521,
&end
#
# 28 ILE HA 28 ILE QG2 3.50 (# 3383:20 Unique 2.30, 3.06 A)
&rst
ixpk= 3383, nxpk= 20, iat= 445, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 449, 450, 451,
&end
#
# 26 LEU HA 28 ILE QG2 7.00 (# 3384:20 Unique 5.33, 6.15 A)
&rst
ixpk= 3384, nxpk= 20, iat= 405, -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr2= 449, 450, 451,
&end
#
# 0 AMB 20-2:3385 28 ILE QG2 2.80 (# 3385:20 Single Ambig)
&rst
ixpk= 3385, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=1423,1424, 453, 454, 412, 413, 414, 416, 417, 418,
igr2= 449, 450, 451,
&end
#
# 34 ILE HN 28 ILE QG2 7.00 (# 3391:20 Unique 2.87, 4.26 A)
&rst
ixpk= 3391, nxpk= 20, iat= 525, -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr2= 449, 450, 451,
&end
#
# 0 AMB 20-2:3392 28 ILE QG2 4.50 (# 3392:20 Single Ambig)
&rst
ixpk= 3392, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 443,1464,
igr2= 449, 450, 451,
&end
#
# 33 VAL HA 28 ILE QG2 5.50 (# 3393:20 Unique 3.03, 4.31 A)
&rst
ixpk= 3393, nxpk= 20, iat= 511, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 449, 450, 451,
&end
#
# 28 ILE HB 28 ILE QG2 3.50 (# 3394:20 Unique 2.34, 2.65 A)
&rst
ixpk= 3394, nxpk= 20, iat= 447, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 449, 450, 451,
&end
#
# 0 AMB 20-2:3396 28 ILE QG2 3.50 (# 3396:20 Single Ambig)
&rst
ixpk= 3396, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 407, 408, 921, 922,
igr2= 449, 450, 451,
&end
#
# 92 ILE HN 92 ILE QG2 4.50 (# 3398:20 Unique 4.19, 4.55 A)
&rst
ixpk= 3398, nxpk= 20, iat=1394, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1400,1401,1402,
&end
#
# 92 ILE HG1- 92 ILE QG2 3.50 (# 3400:20 Unique 2.25, 3.46 A)
&rst
ixpk= 3400, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1404,1405,
igr2=1400,1401,1402,
&end
#
# 93 ILE HN 92 ILE QG2 4.50 (# 3401:20 Unique 3.58, 4.64 A)
&rst
ixpk= 3401, nxpk= 20, iat=1413, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1400,1401,1402,
&end
#
# 11 GLY HA+ 92 ILE QG2 5.50 (# 3402:20 Unique 3.49, 5.10 A)
&rst
ixpk= 3402, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 157, 158,
igr2=1400,1401,1402,
&end
#
# 121 ARG HA 92 ILE QG2 4.50 (# 3403:20 Unique 2.37, 3.81 A)
&rst
ixpk= 3403, nxpk= 20, iat=1866, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1400,1401,1402,
&end
#
# 0 AMB 20-2:3404 92 ILE QG2 4.50 (# 3404:20 Single Ambig)
&rst
ixpk= 3404, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1415,1349,
igr2=1400,1401,1402,
&end
#
# 92 ILE HA 92 ILE QG2 3.50 (# 3405:20 Unique 2.31, 3.10 A)
&rst
ixpk= 3405, nxpk= 20, iat=1396, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1400,1401,1402,
&end
#
# 92 ILE HB 92 ILE QG2 3.50 (# 3406:20 Unique 2.44, 2.67 A)
&rst
ixpk= 3406, nxpk= 20, iat=1398, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1400,1401,1402,
&end
#
# 120 LEU HB- 92 ILE QG2 4.50 (# 3407:20 Unique 2.28, 3.95 A)
&rst
ixpk= 3407, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1849,1850,
igr2=1400,1401,1402,
&end
#
# 0 AMB 20-2:3408 92 ILE QG2 3.50 (# 3408:20 Single Ambig)
&rst
ixpk= 3408, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1404,1405,1316,1317,
igr2=1400,1401,1402,
&end
#
# 0 AMB 20-2:3409 92 ILE QG2 3.50 (# 3409:20 Single Ambig)
&rst
ixpk= 3409, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.06, r4= 6.81,
igr1= 412, 413, 414, 416, 417, 418,1458,1459,1460,
igr2=1400,1401,1402,
&end
#
# 92 ILE QD1 92 ILE QG2 2.80 (# 3410:20 Unique 2.25, 3.91 A)
&rst
ixpk= 3410, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1=1407,1408,1409,
igr2=1400,1401,1402,
&end
#
# 120 LEU MDY 92 ILE QG2 5.50 (# 3411:20 Unique 2.50, 5.56 A)
&rst
ixpk= 3411, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1854,1855,1856,1858,1859,1860,
igr2=1400,1401,1402,
&end
#
# 116 PHE HA 104 MET ME 5.50 (# 3413:20 Unique 2.37, 4.72 A)
&rst
ixpk= 3413, nxpk= 20, iat=1780, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1591,1592,1593,
&end
#
# 116 PHE HD 104 MET ME 4.50 (# 3414:20 Unique 2.23, 6.09 A)
&rst
ixpk= 3414, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1786,1794,
igr2=1591,1592,1593,
&end
#
# 0 AMB 20-2:3415 104 MET ME 4.50 (# 3415:20 Single Ambig)
&rst
ixpk= 3415, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1788,1792,1730,1731,
igr2=1591,1592,1593,
&end
#
# 60 VAL MGX 104 MET ME 5.50 (# 3416:20 Unique 2.17, 4.70 A)
&rst
ixpk= 3416, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 885, 886, 887, 889, 890, 891,
igr2=1591,1592,1593,
&end
#
# 36 LEU MDY 104 MET ME 4.50 (# 3417:20 Unique 2.28, 4.92 A)
&rst
ixpk= 3417, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 570, 571, 572, 574, 575, 576,
igr2=1591,1592,1593,
&end
#
# 60 VAL MGY 104 MET ME 3.50 (# 3418:20 Unique 2.17, 4.70 A)
&rst
ixpk= 3418, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 885, 886, 887, 889, 890, 891,
igr2=1591,1592,1593,
&end
#
# 93 ILE HN 93 ILE QG2 4.50 (# 3420:20 Unique 4.29, 4.53 A)
&rst
ixpk= 3420, nxpk= 20, iat=1413, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1419,1420,1421,
&end
#
# 94 SER HN 93 ILE QG2 4.50 (# 3421:20 Unique 3.07, 4.17 A)
&rst
ixpk= 3421, nxpk= 20, iat=1432, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1419,1420,1421,
&end
#
# 94 SER HA 93 ILE QG2 4.50 (# 3422:20 Unique 3.37, 4.60 A)
&rst
ixpk= 3422, nxpk= 20, iat=1434, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1419,1420,1421,
&end
#
# 90 GLU HA 93 ILE QG2 4.50 (# 3423:20 Unique 3.94, 4.77 A)
&rst
ixpk= 3423, nxpk= 20, iat=1365, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1419,1420,1421,
&end
#
# 93 ILE HA 93 ILE QG2 3.50 (# 3424:20 Unique 2.49, 3.29 A)
&rst
ixpk= 3424, nxpk= 20, iat=1415, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1419,1420,1421,
&end
#
# 28 ILE HB 93 ILE QG2 4.50 (# 3425:20 Unique 2.33, 3.72 A)
&rst
ixpk= 3425, nxpk= 20, iat= 447, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1419,1420,1421,
&end
#
# 93 ILE HB 93 ILE QG2 2.80 (# 3426:20 Unique 2.36, 2.65 A)
&rst
ixpk= 3426, nxpk= 20, iat=1417, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1419,1420,1421,
&end
#
# 93 ILE HG1- 93 ILE QG2 2.80 (# 3427:20 Unique 2.34, 3.55 A)
&rst
ixpk= 3427, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1423,1424,
igr2=1419,1420,1421,
&end
#
# 104 MET HA 104 MET ME 4.50 (# 3431:20 Unique 4.88, 5.79 A)
&rst
ixpk= 3431, nxpk= 20, iat=1582, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1591,1592,1593,
&end
#
# 62 ARG HA 34 ILE QG2 5.50 (# 3432:20 Unique 3.80, 4.80 A)
&rst
ixpk= 3432, nxpk= 20, iat= 919, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 531, 532, 533,
&end
#
# 35 HIS HN 34 ILE QG2 4.50 (# 3433:20 Unique 2.55, 3.39 A)
&rst
ixpk= 3433, nxpk= 20, iat= 544, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 531, 532, 533,
&end
#
# 0 AMB 20-2:3434 34 ILE QG2 5.50 (# 3434:20 Single Ambig)
&rst
ixpk= 3434, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 561, 941,1534,
igr2= 531, 532, 533,
&end
#
# 116 PHE HE 34 ILE QG2 5.50 (# 3435:20 Unique 2.33, 4.63 A)
&rst
ixpk= 3435, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1788,1792,
igr2= 531, 532, 533,
&end
#
# 34 ILE HA 34 ILE QG2 4.50 (# 3436:20 Unique 2.70, 3.40 A)
&rst
ixpk= 3436, nxpk= 20, iat= 527, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 531, 532, 533,
&end
#
# 0 AMB 20-2:3437 34 ILE QG2 7.00 (# 3437:20 Single Ambig)
&rst
ixpk= 3437, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.99, r4=11.74,
igr1=1505,1506, 883, 948, 949,
igr2= 531, 532, 533,
&end
#
# 34 ILE HB 34 ILE QG2 2.80 (# 3438:20 Unique 2.43, 2.67 A)
&rst
ixpk= 3438, nxpk= 20, iat= 529, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 531, 532, 533,
&end
#
# 96 ALA MB 34 ILE QG2 3.50 (# 3439:20 Unique 2.23, 4.20 A)
&rst
ixpk= 3439, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1458,1459,1460,
igr2= 531, 532, 533,
&end
#
# 97 LYS HE+ 93 ILE QG2 4.50 (# 3442:20 Unique 2.13, 3.81 A)
&rst
ixpk= 3442, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1477,1478,
igr2=1419,1420,1421,
&end
#
# 28 ILE HA 93 ILE QG2 2.80 (# 3443:20 Unique 3.18, 4.37 A)
&rst
ixpk= 3443, nxpk= 20, iat= 445, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1419,1420,1421,
&end
#
# 75 ARG HN 14 ILE QG2 5.50 (# 3446:20 Unique 2.24, 3.28 A)
&rst
ixpk= 3446, nxpk= 20, iat=1115, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 199, 200, 201,
&end
#
# 0 AMB 20-2:3447 14 ILE QG2 4.50 (# 3447:20 Single Ambig)
&rst
ixpk= 3447, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
igr1= 109, 110, 397, 398, 399,
igr2= 199, 200, 201,
&end
#
# 99 MET HN 99 MET ME 5.50 (# 3453:20 Unique 4.74, 5.59 A)
&rst
ixpk= 3453, nxpk= 20, iat=1501, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1512,1513,1514,
&end
#
# 116 PHE HE 99 MET ME 3.50 (# 3454:20 Unique 2.16, 4.87 A)
&rst
ixpk= 3454, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1788,1792,
igr2=1512,1513,1514,
&end
#
# 120 LEU HN 99 MET ME 5.50 (# 3455:20 Unique 3.00, 4.47 A)
&rst
ixpk= 3455, nxpk= 20, iat=1845, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1512,1513,1514,
&end
#
# 99 MET HA 99 MET ME 5.50 (# 3457:20 Unique 4.43, 5.12 A)
&rst
ixpk= 3457, nxpk= 20, iat=1503, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1512,1513,1514,
&end
#
# 0 AMB 20-2:3459 99 MET ME 5.50 (# 3459:20 Single Ambig)
&rst
ixpk= 3459, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1847,1456,1800,
igr2=1512,1513,1514,
&end
#
# 99 MET HG- 99 MET ME 4.50 (# 3460:20 Unique 2.69, 3.81 A)
&rst
ixpk= 3460, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1508,1509,
igr2=1512,1513,1514,
&end
#
# 99 MET HG+ 99 MET ME 4.50 (# 3461:20 Unique 2.69, 3.81 A)
&rst
ixpk= 3461, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1508,1509,
igr2=1512,1513,1514,
&end
#
# 102 GLN HG- 99 MET ME 2.80 (# 3462:20 Unique 3.61, 6.14 A)
&rst
ixpk= 3462, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1548,1549,
igr2=1512,1513,1514,
&end
#
# 99 MET HB- 99 MET ME 2.80 (# 3463:20 Unique 2.26, 3.20 A)
&rst
ixpk= 3463, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1505,1506,
igr2=1512,1513,1514,
&end
#
# 60 VAL MGX 99 MET ME 7.00 (# 3464:20 Unique 2.49, 4.25 A)
&rst
ixpk= 3464, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.33, r4=12.08,
igr1= 885, 886, 887, 889, 890, 891,
igr2=1512,1513,1514,
&end
#
# 120 LEU MDX 99 MET ME 4.50 (# 3465:20 Unique 2.46, 4.80 A)
&rst
ixpk= 3465, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1854,1855,1856,1858,1859,1860,
igr2=1512,1513,1514,
&end
#
# 120 LEU MDY 99 MET ME 7.00 (# 3466:20 Unique 2.46, 4.80 A)
&rst
ixpk= 3466, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.33, r4=12.08,
igr1=1854,1855,1856,1858,1859,1860,
igr2=1512,1513,1514,
&end
#
# 120 LEU MDY 34 ILE QG2 4.50 (# 3470:20 Unique 2.83, 5.09 A)
&rst
ixpk= 3470, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1854,1855,1856,1858,1859,1860,
igr2= 531, 532, 533,
&end
#
# 0 AMB 20-2:3472 14 ILE QG2 4.50 (# 3472:20 Single Ambig)
&rst
ixpk= 3472, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 112, 113, 515, 516, 517, 519, 520, 521,
igr2= 199, 200, 201,
&end
#
# 14 ILE HN 14 ILE QG2 7.00 (# 3473:20 Unique 4.48, 4.70 A)
&rst
ixpk= 3473, nxpk= 20, iat= 193, -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr2= 199, 200, 201,
&end
#
# 15 GLU HN 14 ILE QG2 4.50 (# 3474:20 Unique 2.17, 3.31 A)
&rst
ixpk= 3474, nxpk= 20, iat= 212, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 199, 200, 201,
&end
#
# 74 TYR HD 14 ILE QG2 3.50 (# 3475:20 Unique 2.17, 4.59 A)
&rst
ixpk= 3475, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1102,1111,
igr2= 199, 200, 201,
&end
#
# 0 AMB 20-2:3476 14 ILE QG2 5.50 (# 3476:20 Single Ambig)
&rst
ixpk= 3476, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1107, 462,
igr2= 199, 200, 201,
&end
#
# 14 ILE HA 14 ILE QG2 4.50 (# 3477:20 Unique 2.44, 2.96 A)
&rst
ixpk= 3477, nxpk= 20, iat= 195, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 199, 200, 201,
&end
#
# 0 AMB 20-2:3478 14 ILE QG2 7.00 (# 3478:20 Single Ambig)
&rst
ixpk= 3478, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.99, r4=11.74,
igr1= 214, 106, 107,1159,1160,
igr2= 199, 200, 201,
&end
#
# 74 TYR HB- 14 ILE QG2 4.50 (# 3479:20 Unique 2.26, 3.45 A)
&rst
ixpk= 3479, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1098,1099,
igr2= 199, 200, 201,
&end
#
# 0 AMB 20-2:3480 14 ILE QG2 3.50 (# 3480:20 Single Ambig)
&rst
ixpk= 3480, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 197, 112, 113,
igr2= 199, 200, 201,
&end
#
# 0 AMB 20-2:3481 14 ILE QG2 3.50 (# 3481:20 Single Ambig)
&rst
ixpk= 3481, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 203, 204, 237, 238,
igr2= 199, 200, 201,
&end
#
# 74 TYR HA 14 ILE QG2 7.00 (# 3483:20 Unique 3.49, 4.37 A)
&rst
ixpk= 3483, nxpk= 20, iat=1096, -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr2= 199, 200, 201,
&end
#
# 14 ILE HG1+ 14 ILE QG2 3.50 (# 3484:20 Unique 2.24, 3.50 A)
&rst
ixpk= 3484, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 203, 204,
igr2= 199, 200, 201,
&end
#
# 76 VAL MGX 14 ILE QG2 4.50 (# 3486:20 Unique 2.32, 5.56 A)
&rst
ixpk= 3486, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1145,1146,1147,1149,1150,1151,
igr2= 199, 200, 201,
&end
#
# 16 ILE HN 16 ILE QD1 7.00 (# 3495:20 Unique 3.74, 5.03 A)
&rst
ixpk= 3495, nxpk= 20, iat= 227, -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr2= 240, 241, 242,
&end
#
# 74 TYR HE 16 ILE QD1 7.00 (# 3497:20 Unique 6.41, 7.96 A)
&rst
ixpk= 3497, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1=1104,1109,
igr2= 240, 241, 242,
&end
#
# 16 ILE HG1+ 16 ILE QD1 4.50 (# 3498:20 Unique 2.37, 2.65 A)
&rst
ixpk= 3498, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 237, 238,
igr2= 240, 241, 242,
&end
#
# 16 ILE QG2 16 ILE QD1 4.50 (# 3500:20 Unique 2.23, 3.64 A)
&rst
ixpk= 3500, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 233, 234, 235,
igr2= 240, 241, 242,
&end
#
# 0 AMB 20-2:3504 16 ILE QD1 5.50 (# 3504:20 Single Ambig)
&rst
ixpk= 3504, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1044, 548, 549,
igr2= 240, 241, 242,
&end
#
# 74 TYR HB- 16 ILE QD1 5.50 (# 3505:20 Unique 2.15, 4.03 A)
&rst
ixpk= 3505, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1098,1099,
igr2= 240, 241, 242,
&end
#
# 0 AMB 20-2:3506 16 ILE QD1 5.50 (# 3506:20 Single Ambig)
&rst
ixpk= 3506, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1030, 231,
igr2= 240, 241, 242,
&end
#
# 0 AMB 20-2:3508 16 ILE QD1 5.50 (# 3508:20 Single Ambig)
&rst
ixpk= 3508, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 109, 110, 987,
igr2= 240, 241, 242,
&end
#
# 0 AMB 20-2:3516 34 ILE HA 3.50 (# 3516:20 Single Ambig)
&rst
ixpk= 3516, nxpk= 20, iat= -1, 527, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 544, 525,
&end
#
# 62 ARG HA 34 ILE HA 2.80 (# 3517:20 Unique 2.04, 2.21 A)
&rst
ixpk= 3517, nxpk= 20, iat= 919, 527, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 34 ILE HG1+ 34 ILE HA 4.50 (# 3519:20 Unique 2.34, 2.53 A)
&rst
ixpk= 3519, nxpk= 20, iat= -1, 527, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 535, 536,
&end
#
# 0 AMB 20-2:3520 34 ILE HA 4.50 (# 3520:20 Single Ambig)
&rst
ixpk= 3520, nxpk= 20, iat= -1, 527, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 529, 924, 925,
&end
#
# 34 ILE HG1- 34 ILE HA 3.50 (# 3521:20 Unique 2.34, 2.53 A)
&rst
ixpk= 3521, nxpk= 20, iat= -1, 527, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 535, 536,
&end
#
# 34 ILE QG2 34 ILE HA 3.50 (# 3522:20 Unique 2.70, 3.40 A)
&rst
ixpk= 3522, nxpk= 20, iat= -1, 527, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 531, 532, 533,
&end
#
# 0 AMB 20-2:3523 34 ILE HA 3.50 (# 3523:20 Single Ambig)
&rst
ixpk= 3523, nxpk= 20, iat= -1, 527, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 515, 516, 517, 519, 520, 521, 538, 539, 540, 885,
886, 887, 889, 890, 891, 449, 450, 451,
&end
#
# 35 HIS HD2 34 ILE HA 5.50 (# 3524:20 Unique 3.02, 3.68 A)
&rst
ixpk= 3524, nxpk= 20, iat= 557, 527, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 33 VAL MGY 34 ILE HA 5.50 (# 3525:20 Unique 3.66, 5.87 A)
&rst
ixpk= 3525, nxpk= 20, iat= -1, 527, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 515, 516, 517, 519, 520, 521,
&end
#
# 33 VAL HN 32 TYR HA 3.50 (# 3528:20 Unique 2.14, 2.19 A)
&rst
ixpk= 3528, nxpk= 20, iat= 509, 490, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 65 LEU HN 32 TYR HA 4.50 (# 3529:20 Unique 2.04, 2.27 A)
&rst
ixpk= 3529, nxpk= 20, iat= 980, 490, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 32 TYR HN 32 TYR HA 4.50 (# 3530:20 Unique 2.96, 2.97 A)
&rst
ixpk= 3530, nxpk= 20, iat= 488, 490, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 32 TYR HB- 32 TYR HA 4.50 (# 3532:20 Unique 2.47, 2.78 A)
&rst
ixpk= 3532, nxpk= 20, iat= -1, 490, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 492, 493,
&end
#
# 32 TYR HB+ 32 TYR HA 4.50 (# 3533:20 Unique 2.47, 2.78 A)
&rst
ixpk= 3533, nxpk= 20, iat= -1, 490, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 492, 493,
&end
#
# 32 TYR HD 32 TYR HA 4.50 (# 3536:20 Unique 2.75, 3.48 A)
&rst
ixpk= 3536, nxpk= 20, iat= -1, 490, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 496, 505,
&end
#
# 0 AMB 20-2:3539 33 VAL HA 5.50 (# 3539:20 Single Ambig)
&rst
ixpk= 3539, nxpk= 20, iat= -1, 511, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 535, 536, 397, 398, 399,
&end
#
# 33 VAL HN 33 VAL HA 4.50 (# 3540:20 Unique 2.94, 2.95 A)
&rst
ixpk= 3540, nxpk= 20, iat= 509, 511, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 34 ILE HN 33 VAL HA 3.50 (# 3541:20 Unique 2.34, 2.40 A)
&rst
ixpk= 3541, nxpk= 20, iat= 525, 511, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 28 ILE HN 33 VAL HA 4.50 (# 3542:20 Unique 2.36, 2.48 A)
&rst
ixpk= 3542, nxpk= 20, iat= 443, 511, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 26 LEU HA 33 VAL HA 5.50 (# 3543:20 Unique 5.40, 5.50 A)
&rst
ixpk= 3543, nxpk= 20, iat= 405, 511, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 27 TYR HA 33 VAL HA 3.50 (# 3544:20 Unique 2.28, 2.41 A)
&rst
ixpk= 3544, nxpk= 20, iat= 424, 511, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 33 VAL HB 33 VAL HA 3.50 (# 3546:20 Unique 2.39, 2.66 A)
&rst
ixpk= 3546, nxpk= 20, iat= 513, 511, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 28 ILE HG1+ 33 VAL HA 5.50 (# 3547:20 Unique 2.49, 3.15 A)
&rst
ixpk= 3547, nxpk= 20, iat= -1, 511, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 453, 454,
&end
#
# 0 AMB 20-2:3548 33 VAL HA 3.50 (# 3548:20 Single Ambig)
&rst
ixpk= 3548, nxpk= 20, iat= -1, 511, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 515, 516, 517, 519, 520, 521, 449, 450, 451,
&end
#
# 28 ILE HG1- 33 VAL HA 4.50 (# 3549:20 Unique 2.49, 3.15 A)
&rst
ixpk= 3549, nxpk= 20, iat= -1, 511, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 453, 454,
&end
#
# 33 VAL MGY 33 VAL HA 4.50 (# 3550:20 Unique 2.45, 3.46 A)
&rst
ixpk= 3550, nxpk= 20, iat= -1, 511, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 515, 516, 517, 519, 520, 521,
&end
#
# 0 AMB 20-2:3551 81 ASP HA 4.50 (# 3551:20 Single Ambig)
&rst
ixpk= 3551, nxpk= 20, iat= -1,1215, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1213,1278,
&end
#
# 84 TYR HN 81 ASP HA 4.50 (# 3552:20 Unique 3.27, 3.65 A)
&rst
ixpk= 3552, nxpk= 20, iat=1257,1215, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 84 TYR HE 81 ASP HA 5.50 (# 3554:20 Unique 3.32, 6.17 A)
&rst
ixpk= 3554, nxpk= 20, iat= -1,1215, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1267,1272,
&end
#
# 0 AMB 20-2:3555 81 ASP HA 3.50 (# 3555:20 Single Ambig)
&rst
ixpk= 3555, nxpk= 20, iat= -1,1215, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1874,1875,1217,1218,1261,1262,
&end
#
# 83 GLU HN 81 ASP HA 5.50 (# 3557:20 Unique 3.51, 3.80 A)
&rst
ixpk= 3557, nxpk= 20, iat=1242,1215, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 81 ASP HB+ 81 ASP HA 3.50 (# 3559:20 Unique 2.25, 2.63 A)
&rst
ixpk= 3559, nxpk= 20, iat= -1,1215, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1217,1218,
&end
#
# 84 TYR HB+ 81 ASP HA 5.50 (# 3560:20 Unique 2.36, 4.19 A)
&rst
ixpk= 3560, nxpk= 20, iat= -1,1215, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1261,1262,
&end
#
# 23 HIS HN 22 GLU HA 3.50 (# 3561:20 Unique 2.17, 2.37 A)
&rst
ixpk= 3561, nxpk= 20, iat= 352, 339, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 19 LEU HN 22 GLU HA 5.50 (# 3562:20 Unique 3.77, 4.89 A)
&rst
ixpk= 3562, nxpk= 20, iat= 290, 339, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 18 ARG HN 22 GLU HA 4.50 (# 3563:20 Unique 1.98, 2.64 A)
&rst
ixpk= 3563, nxpk= 20, iat= 266, 339, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 22 GLU HG+ 22 GLU HA 4.50 (# 3564:20 Unique 2.36, 3.07 A)
&rst
ixpk= 3564, nxpk= 20, iat= -1, 339, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 344, 345,
&end
#
# 22 GLU HB- 22 GLU HA 4.50 (# 3565:20 Unique 2.40, 2.74 A)
&rst
ixpk= 3565, nxpk= 20, iat= -1, 339, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 341, 342,
&end
#
# 22 GLU HG- 22 GLU HA 4.50 (# 3566:20 Unique 2.36, 3.07 A)
&rst
ixpk= 3566, nxpk= 20, iat= -1, 339, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 344, 345,
&end
#
# 0 AMB 20-2:3567 22 GLU HA 4.50 (# 3567:20 Single Ambig)
&rst
ixpk= 3567, nxpk= 20, iat= -1, 339, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 270, 271, 341, 342, 273, 274,
&end
#
# 25 ALA HN 24 TRP HA 3.50 (# 3568:20 Unique 2.23, 2.39 A)
&rst
ixpk= 3568, nxpk= 20, iat= 393, 371, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 16 ILE HN 24 TRP HA 5.50 (# 3570:20 Unique 2.39, 3.02 A)
&rst
ixpk= 3570, nxpk= 20, iat= 227, 371, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:3572 24 TRP HA 3.50 (# 3572:20 Single Ambig)
&rst
ixpk= 3572, nxpk= 20, iat= -1, 371, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 214, 373, 374,
&end
#
# 24 TRP HB- 24 TRP HA 4.50 (# 3573:20 Unique 2.39, 2.77 A)
&rst
ixpk= 3573, nxpk= 20, iat= -1, 371, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 373, 374,
&end
#
# 16 ILE HG1+ 24 TRP HA 5.50 (# 3574:20 Unique 2.69, 4.15 A)
&rst
ixpk= 3574, nxpk= 20, iat= -1, 371, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 237, 238,
&end
#
# 24 TRP HN 24 TRP HA 5.50 (# 3576:20 Unique 2.93, 2.96 A)
&rst
ixpk= 3576, nxpk= 20, iat= 369, 371, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 25 ALA MB 24 TRP HA 5.50 (# 3577:20 Unique 4.06, 4.69 A)
&rst
ixpk= 3577, nxpk= 20, iat= -1, 371, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 397, 398, 399,
&end
#
# 16 ILE HG1- 24 TRP HA 5.50 (# 3578:20 Unique 2.69, 4.15 A)
&rst
ixpk= 3578, nxpk= 20, iat= -1, 371, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 237, 238,
&end
#
# 75 ARG HN 74 TYR HA 3.50 (# 3579:20 Unique 2.23, 2.32 A)
&rst
ixpk= 3579, nxpk= 20, iat=1115,1096, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 17 PHE HN 74 TYR HA 4.50 (# 3580:20 Unique 2.37, 3.16 A)
&rst
ixpk= 3580, nxpk= 20, iat= 246,1096, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 74 TYR HN 74 TYR HA 4.50 (# 3581:20 Unique 2.91, 2.95 A)
&rst
ixpk= 3581, nxpk= 20, iat=1094,1096, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 17 PHE HD 74 TYR HA 7.00 (# 3582:20 Unique 3.60, 6.86 A)
&rst
ixpk= 3582, nxpk= 20, iat= -1,1096, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 254, 262,
&end
#
# 16 ILE HA 74 TYR HA 4.50 (# 3583:20 Unique 2.13, 2.23 A)
&rst
ixpk= 3583, nxpk= 20, iat= 229,1096, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:3584 74 TYR HA 5.50 (# 3584:20 Single Ambig)
&rst
ixpk= 3584, nxpk= 20, iat= -1,1096, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 250, 251,1087,1088,1076,1077,
&end
#
# 0 AMB 20-2:3585 74 TYR HA 3.50 (# 3585:20 Single Ambig)
&rst
ixpk= 3585, nxpk= 20, iat= -1,1096, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1098,1099,1098,1099,
&end
#
# 16 ILE QG2 74 TYR HA 5.50 (# 3587:20 Unique 2.94, 4.40 A)
&rst
ixpk= 3587, nxpk= 20, iat= -1,1096, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 233, 234, 235,
&end
#
# 14 ILE QG2 74 TYR HA 4.50 (# 3588:20 Unique 3.49, 4.37 A)
&rst
ixpk= 3588, nxpk= 20, iat= -1,1096, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 199, 200, 201,
&end
#
# 62 ARG HN 61 LYS HA 3.50 (# 3590:20 Unique 2.20, 2.32 A)
&rst
ixpk= 3590, nxpk= 20, iat= 917, 897, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 61 LYS HB- 61 LYS HA 4.50 (# 3593:20 Unique 2.46, 2.80 A)
&rst
ixpk= 3593, nxpk= 20, iat= -1, 897, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 899, 900,
&end
#
# 0 AMB 20-2:3595 61 LYS HA 3.50 (# 3595:20 Single Ambig)
&rst
ixpk= 3595, nxpk= 20, iat= -1, 897, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 899, 900, 905, 906,
&end
#
# 61 LYS HG- 61 LYS HA 3.50 (# 3596:20 Unique 2.24, 2.85 A)
&rst
ixpk= 3596, nxpk= 20, iat= -1, 897, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 902, 903,
&end
#
# 100 VAL MGY 61 LYS HA 3.50 (# 3597:20 Unique 2.27, 3.73 A)
&rst
ixpk= 3597, nxpk= 20, iat= -1, 897, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1524,1525,1526,1528,1529,1530,
&end
#
# 0 AMB 20-2:3603 0 AMB 20-1:3603 3.50 (# 3603:20 Double Ambig)
&rst
ixpk= 3603, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 174, 895,
igr2= 164, 897,
&end
#
# 0 AMB 20-2:3605 12 ASP HA 3.50 (# 3605:20 Single Ambig)
&rst
ixpk= 3605, nxpk= 20, iat= -1, 164, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1178,1179,1178,1179,
&end
#
# 104 MET HN 103 LYS HA 2.80 (# 3609:20 Unique 2.23, 2.33 A)
&rst
ixpk= 3609, nxpk= 20, iat=1580,1560, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 103 LYS HN 103 LYS HA 4.50 (# 3610:20 Unique 2.93, 2.97 A)
&rst
ixpk= 3610, nxpk= 20, iat=1558,1560, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 59 GLU HA 103 LYS HA 2.80 (# 3611:20 Unique 2.09, 2.26 A)
&rst
ixpk= 3611, nxpk= 20, iat= 866,1560, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 20-2:3617 103 LYS HA 2.80 (# 3617:20 Single Ambig)
&rst
ixpk= 3617, nxpk= 20, iat= -1,1560, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1562,1563, 868, 869,
&end
#
# 0 AMB 20-2:3618 103 LYS HA 4.50 (# 3618:20 Single Ambig)
&rst
ixpk= 3618, nxpk= 20, iat= -1,1560, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1568,1569,1565,1566,
&end
#
# 103 LYS HG+ 103 LYS HA 4.50 (# 3619:20 Unique 2.35, 2.78 A)
&rst
ixpk= 3619, nxpk= 20, iat= -1,1560, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1565,1566,
&end
#
# 64 ARG HN 63 GLU HA 3.50 (# 3620:20 Unique 2.32, 2.41 A)
&rst
ixpk= 3620, nxpk= 20, iat= 956, 943, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 63 GLU HN 63 GLU HA 4.50 (# 3621:20 Unique 2.91, 2.96 A)
&rst
ixpk= 3621, nxpk= 20, iat= 941, 943, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 32 TYR HD 63 GLU HA 4.50 (# 3622:20 Unique 3.52, 6.47 A)
&rst
ixpk= 3622, nxpk= 20, iat= -1, 943, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 496, 505,
&end
#
# 63 GLU HG+ 63 GLU HA 3.50 (# 3623:20 Unique 2.65, 3.46 A)
&rst
ixpk= 3623, nxpk= 20, iat= -1, 943, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 948, 949,
&end
#
# 0 AMB 20-2:3624 63 GLU HA 3.50 (# 3624:20 Single Ambig)
&rst
ixpk= 3624, nxpk= 20, iat= -1, 943, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 945, 946, 948, 949,
&end
#
# 0 AMB 20-2:3625 63 GLU HA 4.50 (# 3625:20 Single Ambig)
&rst
ixpk= 3625, nxpk= 20, iat= -1, 943, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 899, 900, 960, 961, 960, 961,
&end
#
# 63 GLU HB+ 63 GLU HA 3.50 (# 3626:20 Unique 2.31, 2.72 A)
&rst
ixpk= 3626, nxpk= 20, iat= -1, 943, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 945, 946,
&end
#
# 0 AMB 20-2:3628 63 GLU HA 4.50 (# 3628:20 Single Ambig)
&rst
ixpk= 3628, nxpk= 20, iat= -1, 943, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 515, 516, 517, 519, 520, 521,1032,1033,1034,1036,
1037,1038,1032,1033,1034,1036,1037,1038,
&end
#
# 0 AMB 20-2:3629 62 ARG HA 5.50 (# 3629:20 Single Ambig)
&rst
ixpk= 3629, nxpk= 20, iat= -1, 919, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 927, 928, 927, 928, 492, 493,
&end
#
# 33 VAL MGY 62 ARG HA 7.00 (# 3630:20 Unique 4.27, 6.68 A)
&rst
ixpk= 3630, nxpk= 20, iat= -1, 919, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 515, 516, 517, 519, 520, 521,
&end
#
# 0 AMB 20-2:3631 62 ARG HA 4.50 (# 3631:20 Single Ambig)
&rst
ixpk= 3631, nxpk= 20, iat= -1, 919, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 544, 525,
&end
#
# 62 ARG HB- 62 ARG HA 4.50 (# 3632:20 Unique 2.32, 2.74 A)
&rst
ixpk= 3632, nxpk= 20, iat= -1, 919, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 921, 922,
&end
#
# 34 ILE HG1+ 62 ARG HA 4.50 (# 3633:20 Unique 2.13, 2.61 A)
&rst
ixpk= 3633, nxpk= 20, iat= -1, 919, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 535, 536,
&end
#
# 0 AMB 20-2:3634 62 ARG HA 3.50 (# 3634:20 Single Ambig)
&rst
ixpk= 3634, nxpk= 20, iat= -1, 919, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 921, 922, 924, 925,
&end
#
# 34 ILE HG1- 62 ARG HA 4.50 (# 3635:20 Unique 2.13, 2.61 A)
&rst
ixpk= 3635, nxpk= 20, iat= -1, 919, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 535, 536,
&end
#
# 34 ILE QG2 62 ARG HA 5.50 (# 3636:20 Unique 3.80, 4.80 A)
&rst
ixpk= 3636, nxpk= 20, iat= -1, 919, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 531, 532, 533,
&end
#
# 63 GLU HN 62 ARG HA 3.50 (# 3637:20 Unique 2.24, 2.31 A)
&rst
ixpk= 3637, nxpk= 20, iat= 941, 919, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 62 ARG HN 62 ARG HA 4.50 (# 3638:20 Unique 2.93, 2.97 A)
&rst
ixpk= 3638, nxpk= 20, iat= 917, 919, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 62 ARG HG+ 62 ARG HA 4.50 (# 3639:20 Unique 2.46, 2.92 A)
&rst
ixpk= 3639, nxpk= 20, iat= -1, 919, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 924, 925,
&end
#
# 0 AMB 20-2:3640 62 ARG HA 4.50 (# 3640:20 Single Ambig)
&rst
ixpk= 3640, nxpk= 20, iat= -1, 919, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
igr1= 538, 539, 540, 515, 516, 517, 519, 520, 521, 885,
886, 887, 889, 890, 891,
&end
#
# 23 HIS HN 23 HIS HA 4.50 (# 3642:20 Unique 2.81, 2.92 A)
&rst
ixpk= 3642, nxpk= 20, iat= 352, 354, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 23 HIS HB+ 23 HIS HA 4.50 (# 3643:20 Unique 2.32, 2.63 A)
&rst
ixpk= 3643, nxpk= 20, iat= -1, 354, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 356, 357,
&end
#
# 35 HIS HN 35 HIS HA 4.50 (# 3644:20 Unique 2.92, 2.94 A)
&rst
ixpk= 3644, nxpk= 20, iat= 544, 546, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 36 LEU HN 35 HIS HA 3.50 (# 3645:20 Unique 2.39, 2.52 A)
&rst
ixpk= 3645, nxpk= 20, iat= 561, 546, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 116 PHE HE 35 HIS HA 4.50 (# 3646:20 Unique 2.15, 3.44 A)
&rst
ixpk= 3646, nxpk= 20, iat= -1, 546, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1788,1792,
&end
#
# 35 HIS HB- 35 HIS HA 3.50 (# 3648:20 Unique 2.24, 2.46 A)
&rst
ixpk= 3648, nxpk= 20, iat= -1, 546, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 548, 549,
&end
#
# 0 AMB 20-2:3649 35 HIS HA 4.50 (# 3649:20 Single Ambig)
&rst
ixpk= 3649, nxpk= 20, iat= -1, 546, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 407, 408,1804,1805,1806,1808,1809,1810,
&end
#
# 25 ALA MB 35 HIS HA 4.50 (# 3650:20 Unique 3.42, 4.41 A)
&rst
ixpk= 3650, nxpk= 20, iat= -1, 546, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 397, 398, 399,
&end
#
# 34 ILE QG2 35 HIS HA 5.50 (# 3651:20 Unique 3.53, 4.61 A)
&rst
ixpk= 3651, nxpk= 20, iat= -1, 546, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 531, 532, 533,
&end
#
# 0 AMB 20-2:3652 35 HIS HA 5.50 (# 3652:20 Single Ambig)
&rst
ixpk= 3652, nxpk= 20, iat= -1, 546, r1= 0.00, r2= 1.80, r3= 9.14, r4= 9.89,
igr1= 515, 516, 517, 519, 520, 521, 570, 571, 572, 574,
575, 576, 240, 241, 242,1032,1033,1034,1036,1037,
1038,
&end
#
# 0 AMB 20-2:3653 23 HIS HA 5.50 (# 3653:20 Single Ambig)
&rst
ixpk= 3653, nxpk= 20, iat= -1, 354, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 324, 333,1735, 254, 262,
&end
#
# 24 TRP HN 23 HIS HA 3.50 (# 3654:20 Unique 2.33, 2.58 A)
&rst
ixpk= 3654, nxpk= 20, iat= 369, 354, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 23 HIS HB- 23 HIS HA 4.50 (# 3656:20 Unique 2.32, 2.63 A)
&rst
ixpk= 3656, nxpk= 20, iat= -1, 354, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 356, 357,
&end
#
# 25 ALA HA 35 HIS HA 4.50 (# 3660:20 Unique 2.03, 2.48 A)
&rst
ixpk= 3660, nxpk= 20, iat= 395, 546, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:3661 35 HIS HA 5.50 (# 3661:20 Single Ambig)
&rst
ixpk= 3661, nxpk= 20, iat= -1, 546, r1= 0.00, r2= 1.80, r3= 8.54, r4= 9.29,
igr1= 885, 886, 887, 889, 890, 891, 565, 566, 515, 516,
517, 519, 520, 521,
&end
#
# 60 VAL HN 59 GLU HA 2.80 (# 3663:20 Unique 2.18, 2.23 A)
&rst
ixpk= 3663, nxpk= 20, iat= 879, 866, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 20-2:3665 59 GLU HA 4.50 (# 3665:20 Single Ambig)
&rst
ixpk= 3665, nxpk= 20, iat= -1, 866, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 864,1541,
&end
#
# 103 LYS HA 59 GLU HA 2.80 (# 3666:20 Unique 2.09, 2.26 A)
&rst
ixpk= 3666, nxpk= 20, iat=1560, 866, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 20-2:3667 59 GLU HA 5.50 (# 3667:20 Single Ambig)
&rst
ixpk= 3667, nxpk= 20, iat= -1, 866, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 881, 801,
&end
#
# 0 AMB 20-2:3668 59 GLU HA 5.50 (# 3668:20 Single Ambig)
&rst
ixpk= 3668, nxpk= 20, iat= -1, 866, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1587,1588, 883,
&end
#
# 59 GLU HG+ 59 GLU HA 3.50 (# 3669:20 Unique 2.26, 2.72 A)
&rst
ixpk= 3669, nxpk= 20, iat= -1, 866, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 871, 872,
&end
#
# 59 GLU HB+ 59 GLU HA 2.80 (# 3670:20 Unique 2.49, 2.79 A)
&rst
ixpk= 3670, nxpk= 20, iat= -1, 866, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 868, 869,
&end
#
# 103 LYS HG+ 59 GLU HA 4.50 (# 3672:20 Unique 2.61, 3.76 A)
&rst
ixpk= 3672, nxpk= 20, iat= -1, 866, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1565,1566,
&end
#
# 60 VAL MGY 59 GLU HA 4.50 (# 3673:20 Unique 3.62, 5.72 A)
&rst
ixpk= 3673, nxpk= 20, iat= -1, 866, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 885, 886, 887, 889, 890, 891,
&end
#
# 14 ILE HN 13 LEU HA 3.50 (# 3680:20 Unique 2.12, 2.23 A)
&rst
ixpk= 3680, nxpk= 20, iat= 193, 176, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 13 LEU HN 13 LEU HA 4.50 (# 3681:20 Unique 2.94, 2.98 A)
&rst
ixpk= 3681, nxpk= 20, iat= 174, 176, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 13 LEU HB- 13 LEU HA 5.50 (# 3682:20 Unique 2.31, 2.55 A)
&rst
ixpk= 3682, nxpk= 20, iat= -1, 176, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 178, 179,
&end
#
# 13 LEU MDX 13 LEU HA 3.50 (# 3684:20 Unique 2.43, 4.52 A)
&rst
ixpk= 3684, nxpk= 20, iat= -1, 176, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 183, 184, 185, 187, 188, 189,
&end
#
# 14 ILE HN 26 LEU HA 5.50 (# 3687:20 Unique 3.17, 3.62 A)
&rst
ixpk= 3687, nxpk= 20, iat= 193, 405, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 26 LEU HN 26 LEU HA 4.50 (# 3688:20 Unique 2.96, 2.98 A)
&rst
ixpk= 3688, nxpk= 20, iat= 403, 405, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 13 LEU HA 26 LEU HA 4.50 (# 3689:20 Unique 2.10, 2.40 A)
&rst
ixpk= 3689, nxpk= 20, iat= 176, 405, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 26 LEU HB- 26 LEU HA 4.50 (# 3690:20 Unique 2.48, 2.79 A)
&rst
ixpk= 3690, nxpk= 20, iat= -1, 405, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 407, 408,
&end
#
# 0 AMB 20-2:3691 26 LEU HA 3.50 (# 3691:20 Single Ambig)
&rst
ixpk= 3691, nxpk= 20, iat= -1, 405, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 412, 413, 414, 416, 417, 418, 203, 204,
&end
#
# 13 LEU MDX 26 LEU HA 4.50 (# 3693:20 Unique 3.80, 6.15 A)
&rst
ixpk= 3693, nxpk= 20, iat= -1, 405, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 183, 184, 185, 187, 188, 189,
&end
#
# 26 LEU MDX 26 LEU HA 3.50 (# 3694:20 Unique 2.24, 3.47 A)
&rst
ixpk= 3694, nxpk= 20, iat= -1, 405, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 412, 413, 414, 416, 417, 418,
&end
#
# 27 TYR HN 26 LEU HA 3.50 (# 3695:20 Unique 2.18, 2.23 A)
&rst
ixpk= 3695, nxpk= 20, iat= 422, 405, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 56 ASN HB- 56 ASN HA 2.80 (# 3697:20 Unique 2.37, 2.76 A)
&rst
ixpk= 3697, nxpk= 20, iat= -1, 831, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 833, 834,
&end
#
# 10 PRO HD+ 9 LYS HA 2.80 (# 3701:20 Unique 2.27, 2.53 A)
&rst
ixpk= 3701, nxpk= 20, iat= -1, 121, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 142, 143,
&end
#
# 10 PRO HD- 9 LYS HA 3.50 (# 3703:20 Unique 2.27, 2.53 A)
&rst
ixpk= 3703, nxpk= 20, iat= -1, 121, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 142, 143,
&end
#
# 0 AMB 20-2:3705 9 LYS HA 2.80 (# 3705:20 Single Ambig)
&rst
ixpk= 3705, nxpk= 20, iat= -1, 121, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 123, 124, 123, 124,
&end
#
# 9 LYS HG+ 9 LYS HA 3.50 (# 3706:20 Unique 2.39, 3.35 A)
&rst
ixpk= 3706, nxpk= 20, iat= -1, 121, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 126, 127,
&end
#
# 78 ASN HN 78 ASN HA 4.50 (# 3709:20 Unique 2.21, 2.87 A)
&rst
ixpk= 3709, nxpk= 20, iat=1169,1171, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 79 SER HN 78 ASN HA 3.50 (# 3710:20 Unique 2.94, 3.34 A)
&rst
ixpk= 3710, nxpk= 20, iat=1183,1171, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 78 ASN HD2- 78 ASN HA 5.50 (# 3711:20 Unique 2.47, 3.96 A)
&rst
ixpk= 3711, nxpk= 20, iat= -1,1171, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1178,1179,
&end
#
# 78 ASN HB- 78 ASN HA 3.50 (# 3713:20 Unique 2.37, 2.68 A)
&rst
ixpk= 3713, nxpk= 20, iat= -1,1171, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1173,1174,
&end
#
# 78 ASN HB+ 78 ASN HA 4.50 (# 3714:20 Unique 2.37, 2.68 A)
&rst
ixpk= 3714, nxpk= 20, iat= -1,1171, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1173,1174,
&end
#
# 13 LEU MDY 78 ASN HA 3.50 (# 3715:20 Unique 2.26, 4.24 A)
&rst
ixpk= 3715, nxpk= 20, iat= -1,1171, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 183, 184, 185, 187, 188, 189,
&end
#
# 77 ASN HN 77 ASN HA 4.50 (# 3718:20 Unique 2.80, 2.94 A)
&rst
ixpk= 3718, nxpk= 20, iat=1155,1157, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 78 ASN HN 77 ASN HA 3.50 (# 3719:20 Unique 2.13, 2.60 A)
&rst
ixpk= 3719, nxpk= 20, iat=1169,1157, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 77 ASN HB+ 77 ASN HA 4.50 (# 3724:20 Unique 2.38, 2.78 A)
&rst
ixpk= 3724, nxpk= 20, iat= -1,1157, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1159,1160,
&end
#
# 26 LEU HN 25 ALA HA 3.50 (# 3728:20 Unique 2.34, 2.43 A)
&rst
ixpk= 3728, nxpk= 20, iat= 403, 395, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:3732 25 ALA HA 4.50 (# 3732:20 Single Ambig)
&rst
ixpk= 3732, nxpk= 20, iat= -1, 395, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 407, 408,1804,1805,1806,1808,1809,1810,
&end
#
# 25 ALA MB 25 ALA HA 3.50 (# 3733:20 Unique 2.40, 2.67 A)
&rst
ixpk= 3733, nxpk= 20, iat= -1, 395, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 397, 398, 399,
&end
#
# 0 AMB 20-2:3752 28 ILE QD1 3.50 (# 3752:20 Single Ambig)
&rst
ixpk= 3752, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 924, 925, 921, 922,
igr2= 456, 457, 458,
&end
#
# 26 LEU HN 14 ILE QD1 7.00 (# 3753:20 Unique 3.71, 5.22 A)
&rst
ixpk= 3753, nxpk= 20, iat= 403, -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr2= 206, 207, 208,
&end
#
# 0 AMB 20-2:3754 14 ILE QD1 7.00 (# 3754:20 Single Ambig)
&rst
ixpk= 3754, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 393, 119,
igr2= 206, 207, 208,
&end
#
# 8 PRO HA 14 ILE QD1 5.50 (# 3755:20 Unique 4.59, 5.46 A)
&rst
ixpk= 3755, nxpk= 20, iat= 115, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 206, 207, 208,
&end
#
# 0 AMB 20-2:3758 92 ILE HA 5.50 (# 3758:20 Single Ambig)
&rst
ixpk= 3758, nxpk= 20, iat= -1,1396, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1443,1454,
&end
#
# 116 PHE HB- 113 CYS HA 7.00 (# 3763:20 Unique 2.28, 3.33 A)
&rst
ixpk= 3763, nxpk= 20, iat= -1,1737, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1782,1783,
&end
#
# 0 AMB 20-2:3765 16 ILE HA 4.50 (# 3765:20 Single Ambig)
&rst
ixpk= 3765, nxpk= 20, iat= -1, 229, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1125,1126,1076,1077,
&end
#
# 99 MET HN 97 LYS HA 5.50 (# 3767:20 Unique 4.01, 4.14 A)
&rst
ixpk= 3767, nxpk= 20, iat=1501,1466, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 90 GLU HB- 90 GLU HA 2.80 (# 3768:20 Unique 2.40, 2.66 A)
&rst
ixpk= 3768, nxpk= 20, iat= -1,1365, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1367,1368,
&end
#
# 0 AMB 20-2:3771 114 GLU HA 3.50 (# 3771:20 Single Ambig)
&rst
ixpk= 3771, nxpk= 20, iat= -1,1748, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1804,1805,1806,1808,1809,1810,1750,1751,
&end
#
# 64 ARG HD- 64 ARG HA 7.00 (# 3774:20 Unique 2.11, 4.37 A)
&rst
ixpk= 3774, nxpk= 20, iat= -1, 958, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 966, 967,
&end
#
# 0 AMB 20-2:3781 15 GLU HA 7.00 (# 3781:20 Single Ambig)
&rst
ixpk= 3781, nxpk= 20, iat= -1, 214, r1= 0.00, r2= 1.80, r3= 9.15, r4= 9.90,
igr1= 237, 238, 199, 200, 201,
&end
#
# 67 ASP HA 70 GLY HA+ 7.00 (# 3786:20 Unique 3.65, 4.69 A)
&rst
ixpk= 3786, nxpk= 20, iat=1016, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1060,1061,
&end
#
# 0 AMB 20-2:3789 26 LEU HB- 7.00 (# 3789:20 Single Ambig)
&rst
ixpk= 3789, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.33, r4=12.08,
igr1= 531, 532, 533, 183, 184, 185, 187, 188, 189,
igr2= 407, 408,
&end
#
# 13 LEU MDX 26 LEU HB+ 7.00 (# 3790:20 Unique 3.68, 7.16 A)
&rst
ixpk= 3790, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 183, 184, 185, 187, 188, 189,
igr2= 407, 408,
&end
#
# 102 GLN HA 101 GLY HA- 7.00 (# 3792:20 Unique 4.38, 4.65 A)
&rst
ixpk= 3792, nxpk= 20, iat=1543, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1536,1537,
&end
#
# 13 LEU HG 13 LEU HB- 5.50 (# 3794:20 Unique 2.37, 2.80 A)
&rst
ixpk= 3794, nxpk= 20, iat= 181, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 178, 179,
&end
#
# 113 CYS HA 116 PHE HB- 5.50 (# 3801:20 Unique 2.28, 3.33 A)
&rst
ixpk= 3801, nxpk= 20, iat=1737, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1782,1783,
&end
#
# 63 GLU HG+ 61 LYS HB- 7.00 (# 3806:20 Unique 3.56, 5.10 A)
&rst
ixpk= 3806, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 948, 949,
igr2= 899, 900,
&end
#
# 84 TYR HE 83 GLU HG+ 5.50 (# 3809:20 Unique 4.03, 6.37 A)
&rst
ixpk= 3809, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1267,1272,
igr2=1249,1250,
&end
#
# 33 VAL HN 33 VAL HB 7.00 (# 3810:20 Unique 3.56, 3.67 A)
&rst
ixpk= 3810, nxpk= 20, iat= 509, 513, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 0 AMB 20-2:3812 33 VAL HB 5.50 (# 3812:20 Single Ambig)
&rst
ixpk= 3812, nxpk= 20, iat= -1, 513, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 206, 207, 208, 989, 990, 991, 993, 994, 995,
&end
#
# 0 AMB 20-2:3814 0 AMB 20-1:3814 7.00 (# 3814:20 Double Ambig)
&rst
ixpk= 3814, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.53, r4=12.28,
igr1= 565, 566, 233, 234, 235,
igr2= 356, 357, 356, 357,
&end
#
# 77 ASN HD2- 82 HIS HB+ 7.00 (# 3824:20 Unique 5.49, 8.74 A)
&rst
ixpk= 3824, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1164,1165,
igr2=1229,1230,
&end
#
# 69 VAL HA 72 CYS HB+ 7.00 (# 3830:20 Unique 2.83, 4.09 A)
&rst
ixpk= 3830, nxpk= 20, iat=1044, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1076,1077,
&end
#
# 0 AMB 20-2:3831 0 AMB 20-1:3831 7.00 (# 3831:20 Double Ambig)
&rst
ixpk= 3831, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=13.34, r4=14.09,
igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
1037,1038,
igr2=1076,1077,1076,1077,
&end
#
# 0 AMB 20-2:3836 34 ILE HG1- 7.00 (# 3836:20 Single Ambig)
&rst
ixpk= 3836, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.27, r4=11.02,
igr1= 456, 457, 458, 453, 454,
igr2= 535, 536,
&end
#
# 10 PRO HA 9 LYS HD- 7.00 (# 3837:20 Unique 6.69, 7.66 A)
&rst
ixpk= 3837, nxpk= 20, iat= 151, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 129, 130,
&end
#
# 0 AMB 20-2:3838 9 LYS HD- 7.00 (# 3838:20 Single Ambig)
&rst
ixpk= 3838, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
igr1=1141, 195, 464, 465,
igr2= 129, 130,
&end
#
# 64 ARG HB+ 64 ARG HG- 3.50 (# 3840:20 Unique 2.28, 2.74 A)
&rst
ixpk= 3840, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 960, 961,
igr2= 963, 964,
&end
#
# 16 ILE HB 16 ILE HG1- 7.00 (# 3841:20 Unique 2.36, 2.65 A)
&rst
ixpk= 3841, nxpk= 20, iat= 231, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 237, 238,
&end
#
# 32 TYR HD 62 ARG HG- 7.00 (# 3842:20 Unique 2.24, 5.55 A)
&rst
ixpk= 3842, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 496, 505,
igr2= 924, 925,
&end
#
# 64 ARG HD+ 64 ARG HG+ 4.50 (# 3844:20 Unique 2.30, 2.64 A)
&rst
ixpk= 3844, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 966, 967,
igr2= 963, 964,
&end
#
# 59 GLU HG+ 61 LYS HG- 7.00 (# 3847:20 Unique 2.31, 4.01 A)
&rst
ixpk= 3847, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 871, 872,
igr2= 902, 903,
&end
#
# 0 AMB 20-2:3848 65 LEU MDX 4.50 (# 3848:20 Single Ambig)
&rst
ixpk= 3848, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1102,1111,1014, 496, 505,
igr2= 989, 990, 991, 993, 994, 995,
&end
#
# 62 ARG HA 100 VAL MGX 7.00 (# 3854:20 Unique 3.77, 5.19 A)
&rst
ixpk= 3854, nxpk= 20, iat= 919, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr2=1524,1525,1526,1528,1529,1530,
&end
#
# 101 GLY HA- 100 VAL MGX 7.00 (# 3859:20 Unique 3.30, 5.65 A)
&rst
ixpk= 3859, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1=1536,1537,
igr2=1524,1525,1526,1528,1529,1530,
&end
#
# 26 LEU HA 33 VAL MGX 7.00 (# 3862:20 Unique 4.06, 6.60 A)
&rst
ixpk= 3862, nxpk= 20, iat= 405, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr2= 515, 516, 517, 519, 520, 521,
&end
#
# 0 AMB 20-2:3867 69 VAL MGY 7.00 (# 3867:20 Single Ambig)
&rst
ixpk= 3867, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1=1085, 92,
igr2=1048,1049,1050,1052,1053,1054,
&end
#
# 116 PHE HD 35 HIS HA 7.00 (# 3889:20 Unique 4.02, 5.02 A)
&rst
ixpk= 3889, nxpk= 20, iat= -1, 546, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1786,1794,
&end
#
# 12 ASP HA 78 ASN HB+ 7.00 (# 3902:20 Unique 2.24, 4.88 A)
&rst
ixpk= 3902, nxpk= 20, iat= 164, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1173,1174,
&end
#
# 12 ASP HA 78 ASN HB- 7.00 (# 3903:20 Unique 2.24, 4.88 A)
&rst
ixpk= 3903, nxpk= 20, iat= 164, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1173,1174,
&end
#
# 76 VAL MGY 78 ASN HB+ 7.00 (# 3905:20 Unique 2.62, 7.10 A)
&rst
ixpk= 3905, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1=1145,1146,1147,1149,1150,1151,
igr2=1173,1174,
&end
#
# 120 LEU HN 119 GLN HG+ 7.00 (# 3912:20 Unique 2.76, 4.64 A)
&rst
ixpk= 3912, nxpk= 20, iat=1845, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1835,1836,
&end
#
# 36 LEU HN 35 HIS HB+ 7.00 (# 3914:20 Unique 2.22, 3.17 A)
&rst
ixpk= 3914, nxpk= 20, iat= 561, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 548, 549,
&end
#
# 36 LEU HN 35 HIS HB- 7.00 (# 3915:20 Unique 2.22, 3.17 A)
&rst
ixpk= 3915, nxpk= 20, iat= 561, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 548, 549,
&end
#
# 0 AMB 20-2:3916 35 HIS HB- 7.00 (# 3916:20 Single Ambig)
&rst
ixpk= 3916, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=12.72, r4=13.47,
igr1= 515, 516, 517, 519, 520, 521,1032,1033,1034,1036,
1037,1038,1032,1033,1034,1036,1037,1038,
igr2= 548, 549,
&end
#
# 0 AMB 20-2:3917 35 HIS HB- 7.00 (# 3917:20 Single Ambig)
&rst
ixpk= 3917, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=12.72, r4=13.47,
igr1= 515, 516, 517, 519, 520, 521,1032,1033,1034,1036,
1037,1038,1032,1033,1034,1036,1037,1038,
igr2= 548, 549,
&end
#
# 16 ILE HN 15 GLU HG+ 7.00 (# 3918:20 Unique 2.78, 3.60 A)
&rst
ixpk= 3918, nxpk= 20, iat= 227, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 219, 220,
&end
#
# 16 ILE HN 15 GLU HG- 7.00 (# 3919:20 Unique 2.78, 3.60 A)
&rst
ixpk= 3919, nxpk= 20, iat= 227, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 219, 220,
&end
#
# 61 LYS HE+ 61 LYS HB+ 7.00 (# 3923:20 Unique 2.12, 3.68 A)
&rst
ixpk= 3923, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 908, 909,
igr2= 899, 900,
&end
#
# 61 LYS HE+ 61 LYS HB- 7.00 (# 3924:20 Unique 2.12, 3.68 A)
&rst
ixpk= 3924, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 908, 909,
igr2= 899, 900,
&end
#
# 17 PHE HD 22 GLU HG- 5.50 (# 3925:20 Unique 2.34, 4.90 A)
&rst
ixpk= 3925, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 254, 262,
igr2= 344, 345,
&end
#
# 23 HIS HN 22 GLU HG- 7.00 (# 3926:20 Unique 2.77, 4.46 A)
&rst
ixpk= 3926, nxpk= 20, iat= 352, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 344, 345,
&end
#
# 77 ASN HD2+ 77 ASN HB- 7.00 (# 3930:20 Unique 2.27, 3.47 A)
&rst
ixpk= 3930, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1164,1165,
igr2=1159,1160,
&end
#
# 77 ASN HN 77 ASN HB- 7.00 (# 3931:20 Unique 2.49, 3.11 A)
&rst
ixpk= 3931, nxpk= 20, iat=1155, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1159,1160,
&end
#
# 24 TRP HZ3 77 ASN HB+ 7.00 (# 3937:20 Unique 2.29, 6.74 A)
&rst
ixpk= 3937, nxpk= 20, iat= 386, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1159,1160,
&end
#
# 91 VAL HN 92 ILE HB 7.00 (# 3938:20 Unique 4.51, 4.90 A)
&rst
ixpk= 3938, nxpk= 20, iat=1378,1398, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 18 ARG HN 22 GLU HG- 7.00 (# 3939:20 Unique 1.75, 3.63 A)
&rst
ixpk= 3939, nxpk= 20, iat= 266, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 344, 345,
&end
#
# 0 AMB 20-2:3940 0 AMB 20-1:3940 7.00 (# 3940:20 Double Ambig)
&rst
ixpk= 3940, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 316, 652, 661,
igr2= 320, 321, 320, 321,
&end
#
# 0 AMB 20-2:3941 0 AMB 20-1:3941 7.00 (# 3941:20 Double Ambig)
&rst
ixpk= 3941, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
igr1=1169, 212,
igr2=1159,1160,1159,1160,
&end
#
# 63 GLU HN 63 GLU HG- 7.00 (# 3943:20 Unique 2.64, 3.86 A)
&rst
ixpk= 3943, nxpk= 20, iat= 941, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 948, 949,
&end
#
# 53 VAL MGY 56 ASN HB- 7.00 (# 3952:20 Unique 4.94,10.21 A)
&rst
ixpk= 3952, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 789, 790, 791, 793, 794, 795,
igr2= 833, 834,
&end
#
# 20 GLY HN 19 LEU HB- 7.00 (# 3954:20 Unique 2.01, 4.17 A)
&rst
ixpk= 3954, nxpk= 20, iat= 309, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 294, 295,
&end
#
# 16 ILE HA 16 ILE HB 7.00 (# 3958:20 Unique 3.00, 3.04 A)
&rst
ixpk= 3958, nxpk= 20, iat= 229, 231, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 0 AMB 20-2:3959 0 AMB 20-1:3959 7.00 (# 3959:20 Double Ambig)
&rst
ixpk= 3959, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 356, 357, 320, 321,
igr2= 231, 294, 295,
&end
#
# 113 CYS HA 36 LEU HB- 7.00 (# 3963:20 Unique 2.90, 4.60 A)
&rst
ixpk= 3963, nxpk= 20, iat=1737, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 565, 566,
&end
#
# 36 LEU HA 36 LEU HB- 7.00 (# 3964:20 Unique 2.32, 2.74 A)
&rst
ixpk= 3964, nxpk= 20, iat= 563, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 565, 566,
&end
#
# 121 ARG HN 120 LEU HB- 7.00 (# 3965:20 Unique 2.36, 2.96 A)
&rst
ixpk= 3965, nxpk= 20, iat=1864, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1849,1850,
&end
#
# 121 ARG HN 120 LEU HB+ 7.00 (# 3966:20 Unique 2.36, 2.96 A)
&rst
ixpk= 3966, nxpk= 20, iat=1864, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1849,1850,
&end
#
# 9 LYS HN 12 ASP HB+ 7.00 (# 3967:20 Unique 1.91, 2.49 A)
&rst
ixpk= 3967, nxpk= 20, iat= 119, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 166, 167,
&end
#
# 87 ARG HN 87 ARG HD- 5.50 (# 3974:20 Unique 2.87, 4.66 A)
&rst
ixpk= 3974, nxpk= 20, iat=1309, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1319,1320,
&end
#
# 87 ARG HN 87 ARG HD+ 7.00 (# 3975:20 Unique 2.87, 4.66 A)
&rst
ixpk= 3975, nxpk= 20, iat=1309, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1319,1320,
&end
#
# 34 ILE HN 26 LEU HB+ 7.00 (# 3977:20 Unique 2.95, 3.93 A)
&rst
ixpk= 3977, nxpk= 20, iat= 525, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 407, 408,
&end
#
# 34 ILE HN 26 LEU HB- 7.00 (# 3978:20 Unique 2.95, 3.93 A)
&rst
ixpk= 3978, nxpk= 20, iat= 525, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 407, 408,
&end
#
# 0 AMB 20-2:3980 26 LEU HB- 7.00 (# 3980:20 Single Ambig)
&rst
ixpk= 3980, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1=1802,1505,1506,
igr2= 407, 408,
&end
#
# 36 LEU HN 37 ALA HA 7.00 (# 3985:20 Unique 4.71, 4.89 A)
&rst
ixpk= 3985, nxpk= 20, iat= 561, 582, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 23 HIS HE1 37 ALA HA 7.00 (# 3986:20 Unique 3.67, 6.28 A)
&rst
ixpk= 3986, nxpk= 20, iat= 362, 582, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 74 TYR HH 8 PRO HD- 5.50 (# 3991:20 Unique 3.21, 4.06 A)
&rst
ixpk= 3991, nxpk= 20, iat=1107, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 106, 107,
&end
#
# 29 GLY HN 10 PRO HD+ 7.00 (# 3994:20 Unique 5.68, 6.54 A)
&rst
ixpk= 3994, nxpk= 20, iat= 462, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 142, 143,
&end
#
# 25 ALA HN 15 GLU HA 7.00 (# 4000:20 Unique 3.60, 3.87 A)
&rst
ixpk= 4000, nxpk= 20, iat= 393, 214, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 24 TRP HD1 24 TRP HA 7.00 (# 4001:20 Unique 3.11, 3.57 A)
&rst
ixpk= 4001, nxpk= 20, iat= 377, 371, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 117 VAL HN 114 GLU HA 7.00 (# 4004:20 Unique 3.32, 3.51 A)
&rst
ixpk= 4004, nxpk= 20, iat=1798,1748, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 115 HIS HN 114 GLU HA 7.00 (# 4005:20 Unique 3.57, 3.60 A)
&rst
ixpk= 4005, nxpk= 20, iat=1761,1748, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 69 VAL HN 65 LEU HA 7.00 (# 4006:20 Unique 3.74, 3.80 A)
&rst
ixpk= 4006, nxpk= 20, iat=1042, 982, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 69 VAL HN 66 GLU HA 4.50 (# 4007:20 Unique 3.33, 3.46 A)
&rst
ixpk= 4007, nxpk= 20, iat=1042,1001, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 67 ASP HN 65 LEU HA 5.50 (# 4008:20 Unique 3.85, 4.16 A)
&rst
ixpk= 4008, nxpk= 20, iat=1014, 982, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 91 VAL HN 89 VAL HA 7.00 (# 4014:20 Unique 4.21, 4.41 A)
&rst
ixpk= 4014, nxpk= 20, iat=1378,1349, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 25 ALA HN 117 VAL MGY 7.00 (# 4023:20 Unique 3.68, 5.51 A)
&rst
ixpk= 4023, nxpk= 20, iat= 393, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr2=1804,1805,1806,1808,1809,1810,
&end
#
# 0 AMB 20-2:4025 113 CYS HB- 7.00 (# 4025:20 Single Ambig)
&rst
ixpk= 4025, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 561, 352,
igr2=1739,1740,
&end
#
# 24 TRP HN 113 CYS HB- 7.00 (# 4026:20 Unique 1.84, 4.12 A)
&rst
ixpk= 4026, nxpk= 20, iat= 369, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1739,1740,
&end
#
# 93 ILE HA 26 LEU HG 5.50 (# 4027:20 Unique 4.29, 4.91 A)
&rst
ixpk= 4027, nxpk= 20, iat=1415, 410, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 11 GLY HA+ 26 LEU HG 7.00 (# 4028:20 Unique 4.47, 5.42 A)
&rst
ixpk= 4028, nxpk= 20, iat= -1, 410, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 157, 158,
&end
#
# 26 LEU HN 26 LEU HG 7.00 (# 4030:20 Unique 4.76, 4.84 A)
&rst
ixpk= 4030, nxpk= 20, iat= 403, 410, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 0 AMB 20-2:4031 26 LEU HG 7.00 (# 4031:20 Single Ambig)
&rst
ixpk= 4031, nxpk= 20, iat= -1, 410, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1= 525, 174, 544,
&end
#
# 59 GLU HA 60 VAL HB 7.00 (# 4034:20 Unique 4.61, 4.72 A)
&rst
ixpk= 4034, nxpk= 20, iat= 866, 883, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 23 HIS HN 22 GLU HB- 7.00 (# 4036:20 Unique 2.43, 3.37 A)
&rst
ixpk= 4036, nxpk= 20, iat= 352, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 341, 342,
&end
#
# 90 GLU HN 88 PRO HB- 7.00 (# 4037:20 Unique 3.78, 4.72 A)
&rst
ixpk= 4037, nxpk= 20, iat=1363, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1340,1341,
&end
#
# 88 PRO HD- 88 PRO HB- 7.00 (# 4038:20 Unique 2.75, 3.70 A)
&rst
ixpk= 4038, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1334,1335,
igr2=1340,1341,
&end
#
# 88 PRO HD+ 88 PRO HB- 7.00 (# 4039:20 Unique 2.75, 3.70 A)
&rst
ixpk= 4039, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1334,1335,
igr2=1340,1341,
&end
#
# 25 ALA HN 24 TRP HB+ 7.00 (# 4040:20 Unique 2.22, 3.15 A)
&rst
ixpk= 4040, nxpk= 20, iat= 393, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 373, 374,
&end
#
# 75 ARG HN 75 ARG HB- 7.00 (# 4041:20 Unique 2.65, 3.33 A)
&rst
ixpk= 4041, nxpk= 20, iat=1115, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1119,1120,
&end
#
# 24 TRP HD1 24 TRP HB+ 7.00 (# 4042:20 Unique 2.52, 3.31 A)
&rst
ixpk= 4042, nxpk= 20, iat= 377, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 373, 374,
&end
#
# 24 TRP HN 24 TRP HB+ 7.00 (# 4043:20 Unique 2.40, 3.19 A)
&rst
ixpk= 4043, nxpk= 20, iat= 369, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 373, 374,
&end
#
# 0 AMB 20-2:4046 0 AMB 20-1:4046 7.00 (# 4046:20 Double Ambig)
&rst
ixpk= 4046, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1=1782,1783,1748,
igr2= 373, 374, 373, 374,
&end
#
# 0 AMB 20-2:4047 23 HIS HB- 7.00 (# 4047:20 Single Ambig)
&rst
ixpk= 4047, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.27, r4=11.02,
igr1= 565, 566, 233, 234, 235,
igr2= 356, 357,
&end
#
# 0 AMB 20-2:4048 23 HIS HB- 7.00 (# 4048:20 Single Ambig)
&rst
ixpk= 4048, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 369, 365,
igr2= 356, 357,
&end
#
# 0 AMB 20-2:4056 0 AMB 20-1:4056 7.00 (# 4056:20 Double Ambig)
&rst
ixpk= 4056, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 883,1505,1506,
igr2=1536,1537,1536,1537,
&end
#
# 0 AMB 20-2:4061 30 ASP HA 4.50 (# 4061:20 Single Ambig)
&rst
ixpk= 4061, nxpk= 20, iat= -1, 471, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1= 123, 124, 123, 124, 148, 149,1046,
&end
#
# 0 AMB 20-2:4063 0 AMB 20-1:4063 7.00 (# 4063:20 Double Ambig)
&rst
ixpk= 4063, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 365, 496, 505,
igr2= 273, 274, 924, 925,
&end
#
# 97 LYS HN 98 GLU HB- 7.00 (# 4074:20 Unique 4.69, 5.54 A)
&rst
ixpk= 4074, nxpk= 20, iat=1464, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1490,1491,
&end
#
# 19 LEU HN 18 ARG HB+ 5.50 (# 4076:20 Unique 1.81, 2.57 A)
&rst
ixpk= 4076, nxpk= 20, iat= 290, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 270, 271,
&end
#
# 18 ARG HN 18 ARG HB+ 5.50 (# 4077:20 Unique 2.12, 3.15 A)
&rst
ixpk= 4077, nxpk= 20, iat= 266, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 270, 271,
&end
#
# 121 ARG HN 121 ARG HB- 7.00 (# 4078:20 Unique 2.14, 3.14 A)
&rst
ixpk= 4078, nxpk= 20, iat=1864, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1868,1869,
&end
#
# 121 ARG HN 121 ARG HB+ 5.50 (# 4079:20 Unique 2.14, 3.14 A)
&rst
ixpk= 4079, nxpk= 20, iat=1864, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1868,1869,
&end
#
# 18 ARG HN 18 ARG HB- 7.00 (# 4080:20 Unique 2.12, 3.15 A)
&rst
ixpk= 4080, nxpk= 20, iat= 266, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 270, 271,
&end
#
# 115 HIS HN 114 GLU HB+ 7.00 (# 4081:20 Unique 2.55, 3.22 A)
&rst
ixpk= 4081, nxpk= 20, iat=1761, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1750,1751,
&end
#
# 96 ALA HN 120 LEU MDY 7.00 (# 4083:20 Unique 3.23, 5.30 A)
&rst
ixpk= 4083, nxpk= 20, iat=1454, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 90 GLU HA 93 ILE HG1- 7.00 (# 4115:20 Unique 2.44, 3.83 A)
&rst
ixpk= 4115, nxpk= 20, iat=1365, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1423,1424,
&end
#
# 112 ASN HB- 112 ASN HA 3.50 (# 4118:20 Unique 2.18, 2.64 A)
&rst
ixpk= 4118, nxpk= 20, iat= -1,1723, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1725,1726,
&end
#
# 112 ASN HB+ 112 ASN HA 3.50 (# 4119:20 Unique 2.18, 2.64 A)
&rst
ixpk= 4119, nxpk= 20, iat= -1,1723, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1725,1726,
&end
#
# 0 AMB 20-2:4120 112 ASN HA 4.50 (# 4120:20 Single Ambig)
&rst
ixpk= 4120, nxpk= 20, iat= -1,1723, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1782,1783, 605, 606,
&end
#
# 107 SER HB- 112 ASN HA 3.50 (# 4121:20 Unique 2.46, 5.93 A)
&rst
ixpk= 4121, nxpk= 20, iat= -1,1723, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1644,1645,
&end
#
# 85 GLN HB+ 85 GLN HA 2.80 (# 4160:20 Unique 2.19, 2.63 A)
&rst
ixpk= 4160, nxpk= 20, iat= -1,1280, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1282,1283,
&end
#
# 85 GLN HG+ 85 GLN HA 4.50 (# 4161:20 Unique 2.21, 3.51 A)
&rst
ixpk= 4161, nxpk= 20, iat= -1,1280, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1285,1286,
&end
#
# 86 PRO HD- 85 GLN HA 3.50 (# 4162:20 Unique 2.14, 2.53 A)
&rst
ixpk= 4162, nxpk= 20, iat= -1,1280, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1296,1297,
&end
#
# 86 PRO HD+ 85 GLN HA 3.50 (# 4163:20 Unique 2.14, 2.53 A)
&rst
ixpk= 4163, nxpk= 20, iat= -1,1280, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1296,1297,
&end
#
# 16 ILE HN 16 ILE HG1- 5.50 (# 4176:20 Unique 2.59, 3.36 A)
&rst
ixpk= 4176, nxpk= 20, iat= 227, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 237, 238,
&end
#
# 0 AMB 20-2:4178 16 ILE HG1- 7.00 (# 4178:20 Single Ambig)
&rst
ixpk= 4178, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
igr1=1098,1099,1098,1099,
igr2= 237, 238,
&end
#
# 94 SER HN 93 ILE HG1+ 5.50 (# 4220:20 Unique 4.13, 4.71 A)
&rst
ixpk= 4220, nxpk= 20, iat=1432, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1423,1424,
&end
#
# 94 SER HN 93 ILE HG1- 7.00 (# 4221:20 Unique 4.13, 4.71 A)
&rst
ixpk= 4221, nxpk= 20, iat=1432, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1423,1424,
&end
#
# 90 GLU HA 93 ILE HG1+ 5.50 (# 4222:20 Unique 2.44, 3.83 A)
&rst
ixpk= 4222, nxpk= 20, iat=1365, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1423,1424,
&end
#
# 95 SER HB- 92 ILE HA 4.50 (# 4223:20 Unique 2.16, 3.15 A)
&rst
ixpk= 4223, nxpk= 20, iat= -1,1396, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1447,1448,
&end
#
# 0 AMB 20-2:4224 92 ILE HA 4.50 (# 4224:20 Single Ambig)
&rst
ixpk= 4224, nxpk= 20, iat= -1,1396, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1415,1349,
&end
#
# 92 ILE HG1- 92 ILE HA 3.50 (# 4225:20 Unique 2.29, 3.27 A)
&rst
ixpk= 4225, nxpk= 20, iat= -1,1396, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1404,1405,
&end
#
# 61 LYS HA 100 VAL HA 7.00 (# 4226:20 Unique 3.64, 3.84 A)
&rst
ixpk= 4226, nxpk= 20, iat= 897,1520, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 0 AMB 20-2:4227 0 AMB 20-1:4227 4.50 (# 4227:20 Double Ambig)
&rst
ixpk= 4227, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1816,1911,1912,
igr2=1942,1943,1942,1943,
&end
#
# 93 ILE QD1 10 PRO HA 3.50 (# 4228:20 Unique 2.78, 4.13 A)
&rst
ixpk= 4228, nxpk= 20, iat= -1, 151, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1426,1427,1428,
&end
#
# 0 AMB 20-2:4229 10 PRO HA 5.50 (# 4229:20 Single Ambig)
&rst
ixpk= 4229, nxpk= 20, iat= -1, 151, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 129, 130,1370,1371, 97, 98, 97, 98,
&end
#
# 76 VAL MGX 76 VAL HA 4.50 (# 4230:20 Unique 2.30, 3.43 A)
&rst
ixpk= 4230, nxpk= 20, iat= -1,1141, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1145,1146,1147,1149,1150,1151,
&end
#
# 28 ILE QD1 28 ILE HA 5.50 (# 4231:20 Unique 4.53, 5.01 A)
&rst
ixpk= 4231, nxpk= 20, iat= -1, 445, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 456, 457, 458,
&end
#
# 60 VAL MGY 104 MET HG- 5.50 (# 4232:20 Unique 2.96, 6.28 A)
&rst
ixpk= 4232, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 885, 886, 887, 889, 890, 891,
igr2=1587,1588,
&end
#
# 60 VAL MGY 104 MET HG+ 5.50 (# 4233:20 Unique 2.96, 6.28 A)
&rst
ixpk= 4233, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 885, 886, 887, 889, 890, 891,
igr2=1587,1588,
&end
#
# 23 HIS HN 22 GLU HB+ 7.00 (# 4234:20 Unique 2.43, 3.37 A)
&rst
ixpk= 4234, nxpk= 20, iat= 352, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 341, 342,
&end
#
# 0 AMB 20-2:4235 0 AMB 20-1:4235 7.00 (# 4235:20 Double Ambig)
&rst
ixpk= 4235, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1=1014, 369,1102,1111,
igr2=1030, 341, 342,
&end
#
# 76 VAL MGX 76 VAL HB 3.50 (# 4236:20 Unique 2.38, 2.65 A)
&rst
ixpk= 4236, nxpk= 20, iat= -1,1143, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1145,1146,1147,1149,1150,1151,
&end
#
# 86 PRO HB+ 86 PRO HA 3.50 (# 4237:20 Unique 2.26, 2.55 A)
&rst
ixpk= 4237, nxpk= 20, iat= -1,1305, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1302,1303,
&end
#
# 55 SER HA 39 PRO HB+ 5.50 (# 4238:20 Unique 4.48, 8.59 A)
&rst
ixpk= 4238, nxpk= 20, iat= 820, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 611, 612,
&end
#
# 0 AMB 20-2:4239 0 AMB 20-1:4239 3.50 (# 4239:20 Double Ambig)
&rst
ixpk= 4239, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 614,1599,
igr2= 611, 612, 611, 612,
&end
#
# 86 PRO HD+ 86 PRO HB- 4.50 (# 4240:20 Unique 2.59, 3.64 A)
&rst
ixpk= 4240, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1296,1297,
igr2=1302,1303,
&end
#
# 86 PRO HD+ 86 PRO HB+ 4.50 (# 4241:20 Unique 2.59, 3.64 A)
&rst
ixpk= 4241, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1296,1297,
igr2=1302,1303,
&end
#
# 0 AMB 20-2:4242 0 AMB 20-1:4242 4.50 (# 4242:20 Double Ambig)
&rst
ixpk= 4242, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 151,1296,1297,1334,1335,
igr2= 148, 149,1302,1303,1302,1303,
&end
#
# 76 VAL MGX 8 PRO HB- 3.50 (# 4243:20 Unique 2.30, 4.90 A)
&rst
ixpk= 4243, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1145,1146,1147,1149,1150,1151,
igr2= 112, 113,
&end
#
# 13 LEU MDX 117 VAL HB 3.50 (# 4244:20 Unique 2.18, 3.78 A)
&rst
ixpk= 4244, nxpk= 20, iat= -1,1802, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 183, 184, 185, 187, 188, 189,
&end
#
# 0 AMB 20-2:4245 0 AMB 20-1:4245 3.50 (# 4245:20 Double Ambig)
&rst
ixpk= 4245, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.80, r4= 7.55,
igr1= 449, 450, 451, 538, 539, 540,1426,1427,1428,
igr2=1474,1475,1474,1475,1474,1475,
&end
#
# 64 ARG HN 64 ARG HB- 4.50 (# 4246:20 Unique 2.24, 3.00 A)
&rst
ixpk= 4246, nxpk= 20, iat= 956, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 960, 961,
&end
#
# 65 LEU HN 64 ARG HB+ 5.50 (# 4247:20 Unique 3.23, 3.83 A)
&rst
ixpk= 4247, nxpk= 20, iat= 980, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 960, 961,
&end
#
# 0 AMB 20-2:4248 34 ILE HG1- 3.50 (# 4248:20 Single Ambig)
&rst
ixpk= 4248, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
igr1= 924, 925, 921, 922, 529,
igr2= 535, 536,
&end
#
# 88 PRO HD+ 88 PRO HG- 4.50 (# 4249:20 Unique 2.29, 2.60 A)
&rst
ixpk= 4249, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1334,1335,
igr2=1337,1338,
&end
#
# 88 PRO HB- 88 PRO HG- 4.50 (# 4250:20 Unique 2.36, 2.63 A)
&rst
ixpk= 4250, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1340,1341,
igr2=1337,1338,
&end
#
# 88 PRO HB+ 88 PRO HG+ 4.50 (# 4252:20 Unique 2.36, 2.63 A)
&rst
ixpk= 4252, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1340,1341,
igr2=1337,1338,
&end
#
# 88 PRO HB+ 88 PRO HG- 4.50 (# 4253:20 Unique 2.36, 2.63 A)
&rst
ixpk= 4253, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1340,1341,
igr2=1337,1338,
&end
#
# 18 ARG HN 18 ARG HG+ 7.00 (# 4254:20 Unique 2.38, 3.70 A)
&rst
ixpk= 4254, nxpk= 20, iat= 266, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 273, 274,
&end
#
# 18 ARG HA 18 ARG HB- 4.50 (# 4255:20 Unique 2.45, 2.79 A)
&rst
ixpk= 4255, nxpk= 20, iat= 268, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 270, 271,
&end
#
# 0 AMB 20-2:4256 13 LEU MDY 5.50 (# 4256:20 Single Ambig)
&rst
ixpk= 4256, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1877,1183,
igr2= 183, 184, 185, 187, 188, 189,
&end
#
# 24 TRP HZ3 13 LEU MDY 5.50 (# 4257:20 Unique 2.37, 6.85 A)
&rst
ixpk= 4257, nxpk= 20, iat= 386, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 183, 184, 185, 187, 188, 189,
&end
#
# 97 LYS HN 97 LYS HG+ 4.50 (# 4258:20 Unique 2.16, 3.17 A)
&rst
ixpk= 4258, nxpk= 20, iat=1464, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1471,1472,
&end
#
# 0 AMB 20-2:4259 0 AMB 20-1:4259 4.50 (# 4259:20 Double Ambig)
&rst
ixpk= 4259, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.18, r4= 9.93,
igr1=1407,1408,1409,1419,1420,1421,1384,1385,1386,1388,
1389,1390,
igr2=1404,1405,1471,1472,1404,1405,
&end
#
# 93 ILE QG2 97 LYS HG- 7.00 (# 4260:20 Unique 3.18, 5.16 A)
&rst
ixpk= 4260, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1=1419,1420,1421,
igr2=1471,1472,
&end
#
# 0 AMB 20-2:4261 120 LEU MDY 4.50 (# 4261:20 Single Ambig)
&rst
ixpk= 4261, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1= 407, 408,1804,1805,1806,1808,1809,1810,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 36 LEU HB- 36 LEU MDY 4.50 (# 4262:20 Unique 2.40, 3.33 A)
&rst
ixpk= 4262, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 565, 566,
igr2= 570, 571, 572, 574, 575, 576,
&end
#
# 57 SER HA 105 LYS HG- 7.00 (# 4263:20 Unique 2.24, 4.62 A)
&rst
ixpk= 4263, nxpk= 20, iat= 845, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1604,1605,
&end
#
# 29 GLY HN 33 VAL MGX 5.50 (# 4264:20 Unique 4.49, 6.35 A)
&rst
ixpk= 4264, nxpk= 20, iat= 462, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 515, 516, 517, 519, 520, 521,
&end
#
# 0 AMB 20-2:4266 0 AMB 20-1:4266 4.50 (# 4266:20 Double Ambig)
&rst
ixpk= 4266, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1363, 393,
igr2=1353,1354,1355,1357,1358,1359, 397, 398, 399,
&end
#
# 24 TRP HA 25 ALA MB 7.00 (# 4267:20 Unique 4.06, 4.69 A)
&rst
ixpk= 4267, nxpk= 20, iat= 371, -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr2= 397, 398, 399,
&end
#
# 0 AMB 20-2:4268 60 VAL MGY 4.50 (# 4268:20 Single Ambig)
&rst
ixpk= 4268, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1534, 561,
igr2= 885, 886, 887, 889, 890, 891,
&end
#
# 116 PHE HD 60 VAL MGY 5.50 (# 4270:20 Unique 2.60, 5.78 A)
&rst
ixpk= 4270, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1786,1794,
igr2= 885, 886, 887, 889, 890, 891,
&end
#
# 0 AMB 20-2:4271 120 LEU MDX 7.00 (# 4271:20 Single Ambig)
&rst
ixpk= 4271, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.33, r4=12.08,
igr1=1786,1794,1501,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 116 PHE HD 120 LEU MDY 7.00 (# 4274:20 Unique 3.46, 5.57 A)
&rst
ixpk= 4274, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1=1786,1794,
igr2=1854,1855,1856,1858,1859,1860,
&end
#
# 76 VAL HA 76 VAL MGY 3.50 (# 4275:20 Unique 2.30, 3.43 A)
&rst
ixpk= 4275, nxpk= 20, iat=1141, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1145,1146,1147,1149,1150,1151,
&end
#
# 61 LYS HN 37 ALA MB 5.50 (# 4276:20 Unique 4.88, 5.89 A)
&rst
ixpk= 4276, nxpk= 20, iat= 895, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 584, 585, 586,
&end
#
# 93 ILE HG1+ 28 ILE QG2 4.50 (# 4277:20 Unique 2.19, 5.02 A)
&rst
ixpk= 4277, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1423,1424,
igr2= 449, 450, 451,
&end
#
# 36 LEU MDX 104 MET ME 4.50 (# 4279:20 Unique 2.28, 4.92 A)
&rst
ixpk= 4279, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 570, 571, 572, 574, 575, 576,
igr2=1591,1592,1593,
&end
#
# 0 AMB 20-2:4280 93 ILE QG2 2.80 (# 4280:20 Single Ambig)
&rst
ixpk= 4280, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1423,1424,1474,1475,
igr2=1419,1420,1421,
&end
#
# 97 LYS HE- 93 ILE QG2 4.50 (# 4281:20 Unique 2.13, 3.81 A)
&rst
ixpk= 4281, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1477,1478,
igr2=1419,1420,1421,
&end
#
# 0 AMB 20-2:4282 14 ILE QD1 4.50 (# 4282:20 Single Ambig)
&rst
ixpk= 4282, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
igr1= 397, 398, 399, 109, 110,
igr2= 206, 207, 208,
&end
#
# 69 VAL MGY 72 CYS HB- 5.50 (# 4284:20 Unique 4.02, 6.67 A)
&rst
ixpk= 4284, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1048,1049,1050,1052,1053,1054,
igr2=1076,1077,
&end
#
# 103 LYS HN 103 LYS HD- 5.50 (# 4285:20 Unique 4.19, 4.97 A)
&rst
ixpk= 4285, nxpk= 20, iat=1558, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1568,1569,
&end
#
# 19 LEU HN 18 ARG HB- 5.50 (# 4286:20 Unique 1.81, 2.57 A)
&rst
ixpk= 4286, nxpk= 20, iat= 290, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 270, 271,
&end
#
# 0 AMB 20-2:4287 81 ASP HA 5.50 (# 4287:20 Single Ambig)
&rst
ixpk= 4287, nxpk= 20, iat= -1,1215, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1185,1244,1296,1297,
&end
#
# 26 LEU HN 35 HIS HB- 7.00 (# 4288:20 Unique 3.99, 4.78 A)
&rst
ixpk= 4288, nxpk= 20, iat= 403, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 548, 549,
&end
#
# 24 TRP HZ3 77 ASN HB- 7.00 (# 4289:20 Unique 2.29, 6.74 A)
&rst
ixpk= 4289, nxpk= 20, iat= 386, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1159,1160,
&end
#
# 26 LEU HA 27 TYR HB- 7.00 (# 4290:20 Unique 4.35, 4.51 A)
&rst
ixpk= 4290, nxpk= 20, iat= 405, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 426, 427,
&end
#
# 0 AMB 20-2:4291 27 TYR HB- 7.00 (# 4291:20 Single Ambig)
&rst
ixpk= 4291, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 445,1141,
igr2= 426, 427,
&end
#
# 17 PHE HA 22 GLU HG+ 7.00 (# 4292:20 Unique 1.96, 3.02 A)
&rst
ixpk= 4292, nxpk= 20, iat= 248, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 344, 345,
&end
#
# 0 AMB 20-2:4293 27 TYR HB- 7.00 (# 4293:20 Single Ambig)
&rst
ixpk= 4293, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.53, r4=12.28,
igr1= 203, 204, 412, 413, 414, 416, 417, 418, 109, 110,
igr2= 426, 427,
&end
#
# 90 GLU HA 89 VAL HA 7.00 (# 4294:20 Unique 4.67, 4.71 A)
&rst
ixpk= 4294, nxpk= 20, iat=1365,1349, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 60 VAL HA 60 VAL HB 7.00 (# 4295:20 Unique 3.00, 3.02 A)
&rst
ixpk= 4295, nxpk= 20, iat= 881, 883, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 25 ALA HN 24 TRP HB- 7.00 (# 4296:20 Unique 2.22, 3.15 A)
&rst
ixpk= 4296, nxpk= 20, iat= 393, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 373, 374,
&end
#
# 24 TRP HD1 24 TRP HB- 7.00 (# 4297:20 Unique 2.52, 3.31 A)
&rst
ixpk= 4297, nxpk= 20, iat= 377, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 373, 374,
&end
#
# 0 AMB 20-2:4298 24 TRP HB- 7.00 (# 4298:20 Single Ambig)
&rst
ixpk= 4298, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.27, r4=11.02,
igr1=1788,1792,1798,1730,1731,
igr2= 373, 374,
&end
#
# 24 TRP HN 24 TRP HB- 7.00 (# 4299:20 Unique 2.40, 3.19 A)
&rst
ixpk= 4299, nxpk= 20, iat= 369, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 373, 374,
&end
#
# 19 LEU HN 19 LEU HA 4.50 (# 4300:20 Unique 2.80, 2.90 A)
&rst
ixpk= 4300, nxpk= 20, iat= 290, 292, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:4302 87 ARG HA 5.50 (# 4302:20 Single Ambig)
&rst
ixpk= 4302, nxpk= 20, iat= -1,1311, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1282,1283,1337,1338,1299,1300,
&end
#
# 124 LYS HB+ 87 ARG HA 4.50 (# 4303:20 Unique 3.60, 4.81 A)
&rst
ixpk= 4303, nxpk= 20, iat= -1,1311, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1920,1921,
&end
#
# 124 LYS HB- 124 LYS HA 4.50 (# 4304:20 Unique 2.37, 2.80 A)
&rst
ixpk= 4304, nxpk= 20, iat= -1,1918, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1920,1921,
&end
#
# 32 TYR HD 28 ILE QD1 7.00 (# 4306:20 Unique 3.82, 5.63 A)
&rst
ixpk= 4306, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 496, 505,
igr2= 456, 457, 458,
&end
#
# 62 ARG HA 28 ILE QD1 7.00 (# 4307:20 Unique 4.05, 5.12 A)
&rst
ixpk= 4307, nxpk= 20, iat= 919, -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr2= 456, 457, 458,
&end
#
# 0 AMB 20-2:4308 28 ILE QD1 7.00 (# 4308:20 Single Ambig)
&rst
ixpk= 4308, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 525, 544,
igr2= 456, 457, 458,
&end
#
# 0 AMB 20-2:4309 28 ILE QD1 5.50 (# 4309:20 Single Ambig)
&rst
ixpk= 4309, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.64, r4= 9.39,
igr1=1468,1469, 407, 408,1417,
igr2= 456, 457, 458,
&end
#
# 92 ILE HB 89 VAL HA 3.50 (# 4310:20 Unique 2.78, 3.20 A)
&rst
ixpk= 4310, nxpk= 20, iat=1398,1349, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 90 GLU HN 91 VAL HA 5.50 (# 4311:20 Unique 5.25, 5.33 A)
&rst
ixpk= 4311, nxpk= 20, iat=1363,1380, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 52 SER HA 52 SER HB+ 3.50 (# 4314:20 Unique 2.35, 2.70 A)
&rst
ixpk= 4314, nxpk= 20, iat= 774, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 776, 777,
&end
#
# 88 PRO HG+ 88 PRO HA 4.50 (# 4315:20 Unique 2.91, 3.92 A)
&rst
ixpk= 4315, nxpk= 20, iat= -1,1343, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1337,1338,
&end
#
# 53 VAL MGY 53 VAL HA 3.50 (# 4316:20 Unique 2.36, 3.48 A)
&rst
ixpk= 4316, nxpk= 20, iat= -1, 785, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 789, 790, 791, 793, 794, 795,
&end
#
# 98 GLU HG+ 95 SER HA 4.50 (# 4317:20 Unique 3.22, 4.04 A)
&rst
ixpk= 4317, nxpk= 20, iat= -1,1445, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1493,1494,
&end
#
# 97 LYS HB- 97 LYS HA 3.50 (# 4318:20 Unique 2.49, 2.81 A)
&rst
ixpk= 4318, nxpk= 20, iat= -1,1466, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1468,1469,
&end
#
# 121 ARG HN 121 ARG HA 7.00 (# 4320:20 Unique 2.84, 2.88 A)
&rst
ixpk= 4320, nxpk= 20, iat=1864,1866, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 91 VAL MGX 91 VAL HB 2.80 (# 4321:20 Unique 2.45, 2.67 A)
&rst
ixpk= 4321, nxpk= 20, iat= -1,1382, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1384,1385,1386,1388,1389,1390,
&end
#
# 98 GLU HG- 98 GLU HA 4.50 (# 4322:20 Unique 2.39, 3.02 A)
&rst
ixpk= 4322, nxpk= 20, iat= -1,1488, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1493,1494,
&end
#
# 36 LEU HN 36 LEU HA 5.50 (# 4323:20 Unique 2.97, 2.98 A)
&rst
ixpk= 4323, nxpk= 20, iat= 561, 563, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:4324 36 LEU HA 4.50 (# 4324:20 Single Ambig)
&rst
ixpk= 4324, nxpk= 20, iat= -1, 563, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 584, 585, 586,1524,1525,1526,1528,1529,1530,
&end
#
# 36 LEU HB- 36 LEU HA 4.50 (# 4325:20 Unique 2.32, 2.74 A)
&rst
ixpk= 4325, nxpk= 20, iat= -1, 563, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 565, 566,
&end
#
# 10 PRO HG+ 10 PRO HD+ 5.50 (# 4326:20 Unique 2.28, 2.60 A)
&rst
ixpk= 4326, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 145, 146,
igr2= 142, 143,
&end
#
# 9 LYS HB- 10 PRO HD+ 3.50 (# 4327:20 Unique 2.01, 3.52 A)
&rst
ixpk= 4327, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 123, 124,
igr2= 142, 143,
&end
#
# 0 AMB 20-2:4328 8 PRO HD- 4.50 (# 4328:20 Single Ambig)
&rst
ixpk= 4328, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 94, 95, 77, 78,
igr2= 106, 107,
&end
#
# 0 AMB 20-2:4329 8 PRO HD- 4.50 (# 4329:20 Single Ambig)
&rst
ixpk= 4329, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 94, 95,1143, 77, 78,
igr2= 106, 107,
&end
#
# 76 VAL MGX 8 PRO HD- 5.50 (# 4330:20 Unique 2.98, 6.08 A)
&rst
ixpk= 4330, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1145,1146,1147,1149,1150,1151,
igr2= 106, 107,
&end
#
# 76 VAL MGX 8 PRO HD+ 7.00 (# 4331:20 Unique 2.98, 6.08 A)
&rst
ixpk= 4331, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1=1145,1146,1147,1149,1150,1151,
igr2= 106, 107,
&end
#
# 0 AMB 20-2:4332 0 AMB 20-1:4332 3.50 (# 4332:20 Double Ambig)
&rst
ixpk= 4332, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 94, 95, 77, 78,
igr2= 106, 107, 106, 107,
&end
#
# 88 PRO HB- 88 PRO HD+ 7.00 (# 4333:20 Unique 2.75, 3.70 A)
&rst
ixpk= 4333, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1340,1341,
igr2=1334,1335,
&end
#
# 88 PRO HB- 88 PRO HD- 5.50 (# 4334:20 Unique 2.75, 3.70 A)
&rst
ixpk= 4334, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1340,1341,
igr2=1334,1335,
&end
#
# 0 AMB 20-2:4335 0 AMB 20-1:4335 4.50 (# 4335:20 Double Ambig)
&rst
ixpk= 4335, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1299,1300,1337,1338,
igr2=1334,1335,1334,1335,
&end
#
# 0 AMB 20-2:4336 88 PRO HD- 4.50 (# 4336:20 Single Ambig)
&rst
ixpk= 4336, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1299,1300,1337,1338,
igr2=1334,1335,
&end
#
# 124 LYS HB+ 88 PRO HD+ 7.00 (# 4337:20 Unique 2.28, 3.45 A)
&rst
ixpk= 4337, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1920,1921,
igr2=1334,1335,
&end
#
# 124 LYS HB+ 88 PRO HD- 5.50 (# 4338:20 Unique 2.28, 3.45 A)
&rst
ixpk= 4338, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1920,1921,
igr2=1334,1335,
&end
#
# 75 ARG HG+ 75 ARG HD- 4.50 (# 4339:20 Unique 2.31, 2.66 A)
&rst
ixpk= 4339, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1122,1123,
igr2=1125,1126,
&end
#
# 0 AMB 20-2:4340 0 AMB 20-1:4340 4.50 (# 4340:20 Double Ambig)
&rst
ixpk= 4340, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1122,1123, 231, 297,
igr2=1125,1126, 276, 277,
&end
#
# 34 ILE QD1 62 ARG HD- 4.50 (# 4341:20 Unique 3.14, 5.39 A)
&rst
ixpk= 4341, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 538, 539, 540,
igr2= 927, 928,
&end
#
# 34 ILE QD1 62 ARG HD+ 4.50 (# 4342:20 Unique 3.14, 5.39 A)
&rst
ixpk= 4342, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 538, 539, 540,
igr2= 927, 928,
&end
#
# 76 VAL MGX 12 ASP HB+ 4.50 (# 4343:20 Unique 2.74, 5.48 A)
&rst
ixpk= 4343, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1145,1146,1147,1149,1150,1151,
igr2= 166, 167,
&end
#
# 0 AMB 20-2:4344 0 AMB 20-1:4344 2.80 (# 4344:20 Double Ambig)
&rst
ixpk= 4344, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 868, 869,1562,1563,
igr2=1571,1572,1571,1572,
&end
#
# 97 LYS HG- 97 LYS HE+ 4.50 (# 4345:20 Unique 2.32, 3.15 A)
&rst
ixpk= 4345, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1471,1472,
igr2=1477,1478,
&end
#
# 0 AMB 20-2:4346 0 AMB 20-1:4346 5.50 (# 4346:20 Double Ambig)
&rst
ixpk= 4346, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 237, 238, 924, 925,
igr2=1098,1099, 492, 493,
&end
#
# 74 TYR HD 74 TYR HA 4.50 (# 4347:20 Unique 4.10, 4.23 A)
&rst
ixpk= 4347, nxpk= 20, iat= -1,1096, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1102,1111,
&end
#
# 16 ILE QG2 74 TYR HB- 5.50 (# 4348:20 Unique 2.29, 4.30 A)
&rst
ixpk= 4348, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 233, 234, 235,
igr2=1098,1099,
&end
#
# 75 ARG HN 74 TYR HB+ 4.50 (# 4349:20 Unique 2.43, 3.28 A)
&rst
ixpk= 4349, nxpk= 20, iat=1115, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1098,1099,
&end
#
# 0 AMB 20-2:4350 74 TYR HB- 7.00 (# 4350:20 Single Ambig)
&rst
ixpk= 4350, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 246,1139, 227,
igr2=1098,1099,
&end
#
# 0 AMB 20-2:4351 0 AMB 20-1:4351 7.00 (# 4351:20 Double Ambig)
&rst
ixpk= 4351, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
igr1= 246,1139,
igr2=1098,1099,1098,1099,
&end
#
# 16 ILE HA 74 TYR HB+ 4.50 (# 4352:20 Unique 3.07, 3.53 A)
&rst
ixpk= 4352, nxpk= 20, iat= 229, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1098,1099,
&end
#
# 84 TYR HH 80 LEU HB+ 4.50 (# 4353:20 Unique 4.76, 6.97 A)
&rst
ixpk= 4353, nxpk= 20, iat=1270, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1198,1199,
&end
#
# 61 LYS HN 61 LYS HB- 7.00 (# 4354:20 Unique 2.51, 3.24 A)
&rst
ixpk= 4354, nxpk= 20, iat= 895, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 899, 900,
&end
#
# 63 GLU HG+ 61 LYS HB+ 7.00 (# 4355:20 Unique 3.56, 5.10 A)
&rst
ixpk= 4355, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 948, 949,
igr2= 899, 900,
&end
#
# 93 ILE HG1+ 93 ILE HB 4.50 (# 4356:20 Unique 2.33, 2.61 A)
&rst
ixpk= 4356, nxpk= 20, iat= -1,1417, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1423,1424,
&end
#
# 114 GLU HB+ 114 GLU HG- 4.50 (# 4357:20 Unique 2.35, 2.76 A)
&rst
ixpk= 4357, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1750,1751,
igr2=1753,1754,
&end
#
# 29 GLY HN 29 GLY HA- 7.00 (# 4358:20 Unique 2.71, 2.81 A)
&rst
ixpk= 4358, nxpk= 20, iat= 462, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 464, 465,
&end
#
# 0 AMB 20-2:4361 29 GLY HA- 7.00 (# 4361:20 Single Ambig)
&rst
ixpk= 4361, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.11, r4=11.86,
igr1= 535, 536, 963, 964,1471,1472, 960, 961,
igr2= 464, 465,
&end
#
# 0 AMB 20-2:4362 0 AMB 20-1:4362 3.50 (# 4362:20 Double Ambig)
&rst
ixpk= 4362, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1920,1921,1474,1475,
igr2=1929,1930,1477,1478,
&end
#
# 24 TRP HZ3 13 LEU HB- 7.00 (# 4363:20 Unique 4.12, 8.15 A)
&rst
ixpk= 4363, nxpk= 20, iat= 386, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 178, 179,
&end
#
# 0 AMB 20-2:4364 13 LEU HB- 7.00 (# 4364:20 Single Ambig)
&rst
ixpk= 4364, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 377,1790,
igr2= 178, 179,
&end
#
# 28 ILE HN 28 ILE HG1- 4.50 (# 4366:20 Unique 2.64, 2.81 A)
&rst
ixpk= 4366, nxpk= 20, iat= 443, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 453, 454,
&end
#
# 32 TYR HB- 28 ILE HG1- 5.50 (# 4367:20 Unique 2.24, 2.98 A)
&rst
ixpk= 4367, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 492, 493,
igr2= 453, 454,
&end
#
# 28 ILE HB 28 ILE HG1- 4.50 (# 4368:20 Unique 2.63, 2.85 A)
&rst
ixpk= 4368, nxpk= 20, iat= 447, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 453, 454,
&end
#
# 0 AMB 20-2:4370 28 ILE HG1- 3.50 (# 4370:20 Single Ambig)
&rst
ixpk= 4370, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 449, 450, 451, 538, 539, 540,
igr2= 453, 454,
&end
#
# 0 AMB 20-2:4371 0 AMB 20-1:4371 4.50 (# 4371:20 Double Ambig)
&rst
ixpk= 4371, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1866,1334,1335,
igr2=1404,1405,1404,1405,
&end
#
# 0 AMB 20-2:4372 92 ILE HG1- 5.50 (# 4372:20 Single Ambig)
&rst
ixpk= 4372, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1866,1334,1335,
igr2=1404,1405,
&end
#
# 92 ILE HA 92 ILE HG1- 7.00 (# 4373:20 Unique 2.29, 3.27 A)
&rst
ixpk= 4373, nxpk= 20, iat=1396, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1404,1405,
&end
#
# 0 AMB 20-2:4374 19 LEU MDY 4.50 (# 4374:20 Single Ambig)
&rst
ixpk= 4374, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 672, 673, 294, 295,
igr2= 299, 300, 301, 303, 304, 305,
&end
#
# 0 AMB 20-2:4375 19 LEU MDY 3.50 (# 4375:20 Single Ambig)
&rst
ixpk= 4375, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 297, 294, 295,
igr2= 299, 300, 301, 303, 304, 305,
&end
#
# 100 VAL MGX 60 VAL MGY 4.50 (# 4376:20 Unique 2.31, 6.05 A)
&rst
ixpk= 4376, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1524,1525,1526,1528,1529,1530,
igr2= 885, 886, 887, 889, 890, 891,
&end
#
# 34 ILE QG2 60 VAL MGY 3.50 (# 4377:20 Unique 2.40, 4.65 A)
&rst
ixpk= 4377, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 531, 532, 533,
igr2= 885, 886, 887, 889, 890, 891,
&end
#
# 75 ARG HA 75 ARG HD- 3.50 (# 4378:20 Unique 2.23, 4.26 A)
&rst
ixpk= 4378, nxpk= 20, iat=1117, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1125,1126,
&end
#
# 121 ARG HA 121 ARG HB+ 7.00 (# 4379:20 Unique 2.20, 2.54 A)
&rst
ixpk= 4379, nxpk= 20, iat=1866, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1868,1869,
&end
#
# 121 ARG HA 121 ARG HB- 7.00 (# 4380:20 Unique 2.20, 2.54 A)
&rst
ixpk= 4380, nxpk= 20, iat=1866, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1868,1869,
&end
#
# 121 ARG HG- 121 ARG HB- 7.00 (# 4381:20 Unique 2.25, 2.70 A)
&rst
ixpk= 4381, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1871,1872,
igr2=1868,1869,
&end
#
# 13 LEU MDX 13 LEU HB- 7.00 (# 4382:20 Unique 2.33, 3.29 A)
&rst
ixpk= 4382, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 183, 184, 185, 187, 188, 189,
igr2= 178, 179,
&end
#
# 13 LEU MDX 13 LEU HB+ 5.50 (# 4383:20 Unique 2.33, 3.29 A)
&rst
ixpk= 4383, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 183, 184, 185, 187, 188, 189,
igr2= 178, 179,
&end
#
# 13 LEU HG 13 LEU HB+ 7.00 (# 4385:20 Unique 2.37, 2.80 A)
&rst
ixpk= 4385, nxpk= 20, iat= 181, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 178, 179,
&end
#
# 0 AMB 20-2:4386 13 LEU MDY 7.00 (# 4386:20 Single Ambig)
&rst
ixpk= 4386, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.89, r4=12.64,
igr1=1178,1179,1178,1179,
igr2= 183, 184, 185, 187, 188, 189,
&end
#
# 81 ASP HB+ 13 LEU MDY 4.50 (# 4387:20 Unique 2.44, 6.11 A)
&rst
ixpk= 4387, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1217,1218,
igr2= 183, 184, 185, 187, 188, 189,
&end
#
# 0 AMB 20-2:4388 0 AMB 20-1:4388 3.50 (# 4388:20 Double Ambig)
&rst
ixpk= 4388, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
igr1= 270, 271, 538, 539, 540,
igr2= 273, 274, 924, 925,
&end
#
# 63 GLU HN 62 ARG HG- 7.00 (# 4389:20 Unique 2.34, 3.42 A)
&rst
ixpk= 4389, nxpk= 20, iat= 941, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 924, 925,
&end
#
# 75 ARG HD+ 75 ARG HG+ 5.50 (# 4390:20 Unique 2.31, 2.66 A)
&rst
ixpk= 4390, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1125,1126,
igr2=1122,1123,
&end
#
# 75 ARG HD- 75 ARG HG- 4.50 (# 4391:20 Unique 2.31, 2.66 A)
&rst
ixpk= 4391, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1125,1126,
igr2=1122,1123,
&end
#
# 74 TYR HD 75 ARG HG+ 7.00 (# 4392:20 Unique 5.19, 7.34 A)
&rst
ixpk= 4392, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1102,1111,
igr2=1122,1123,
&end
#
# 75 ARG HN 75 ARG HG- 7.00 (# 4394:20 Unique 2.43, 4.21 A)
&rst
ixpk= 4394, nxpk= 20, iat=1115, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1122,1123,
&end
#
# 14 ILE HG1- 76 VAL MGX 3.50 (# 4395:20 Unique 2.28, 5.32 A)
&rst
ixpk= 4395, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 203, 204,
igr2=1145,1146,1147,1149,1150,1151,
&end
#
# 0 AMB 20-2:4396 50 VAL MGX 3.50 (# 4396:20 Single Ambig)
&rst
ixpk= 4396, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 740, 669, 670,
igr2= 742, 743, 744, 746, 747, 748,
&end
#
# 120 LEU MDX 120 LEU HG 3.50 (# 4397:20 Unique 2.23, 2.65 A)
&rst
ixpk= 4397, nxpk= 20, iat= -1,1852, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1854,1855,1856,1858,1859,1860,
&end
#
# 104 MET HB+ 104 MET ME 2.80 (# 4398:20 Unique 2.39, 4.73 A)
&rst
ixpk= 4398, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1584,1585,
igr2=1591,1592,1593,
&end
#
# 0 AMB 20-2:4399 104 MET ME 2.80 (# 4399:20 Single Ambig)
&rst
ixpk= 4399, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1587,1588,1835,1836,1505,1506,
igr2=1591,1592,1593,
&end
#
# 0 AMB 20-2:4401 104 MET ME 7.00 (# 4401:20 Single Ambig)
&rst
ixpk= 4401, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 879,1580,
igr2=1591,1592,1593,
&end
#
# 120 LEU HG 99 MET ME 4.50 (# 4402:20 Unique 2.18, 3.27 A)
&rst
ixpk= 4402, nxpk= 20, iat=1852, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1512,1513,1514,
&end
#
# 116 PHE HA 116 PHE HB+ 4.50 (# 4403:20 Unique 2.25, 2.67 A)
&rst
ixpk= 4403, nxpk= 20, iat=1780, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1782,1783,
&end
#
# 64 ARG HN 67 ASP HB+ 5.50 (# 4404:20 Unique 3.03, 3.87 A)
&rst
ixpk= 4404, nxpk= 20, iat= 956, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1018,1019,
&end
#
# 64 ARG HN 67 ASP HB- 5.50 (# 4405:20 Unique 3.03, 3.87 A)
&rst
ixpk= 4405, nxpk= 20, iat= 956, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1018,1019,
&end
#
# 67 ASP HN 67 ASP HB+ 3.50 (# 4406:20 Unique 2.45, 2.60 A)
&rst
ixpk= 4406, nxpk= 20, iat=1014, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1018,1019,
&end
#
# 67 ASP HN 67 ASP HB- 3.50 (# 4407:20 Unique 2.45, 2.60 A)
&rst
ixpk= 4407, nxpk= 20, iat=1014, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1018,1019,
&end
#
# 67 ASP HA 67 ASP HB+ 3.50 (# 4408:20 Unique 2.42, 2.77 A)
&rst
ixpk= 4408, nxpk= 20, iat=1016, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1018,1019,
&end
#
# 67 ASP HA 67 ASP HB- 3.50 (# 4409:20 Unique 2.42, 2.77 A)
&rst
ixpk= 4409, nxpk= 20, iat=1016, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1018,1019,
&end
#
# 0 AMB 20-2:4410 0 AMB 20-1:4410 5.50 (# 4410:20 Double Ambig)
&rst
ixpk= 4410, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 948, 949,1006,1007, 945, 946,
igr2=1018,1019,1018,1019,1018,1019,
&end
#
# 0 AMB 20-2:4411 67 ASP HB- 5.50 (# 4411:20 Single Ambig)
&rst
ixpk= 4411, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 948, 949,1006,1007, 945, 946,
igr2=1018,1019,
&end
#
# 0 AMB 20-2:4412 67 ASP HB- 4.50 (# 4412:20 Single Ambig)
&rst
ixpk= 4412, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
1037,1038,
igr2=1018,1019,
&end
#
# 17 PHE HN 17 PHE HA 7.00 (# 4413:20 Unique 2.84, 2.92 A)
&rst
ixpk= 4413, nxpk= 20, iat= 246, 248, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 17 PHE HD 17 PHE HA 5.50 (# 4414:20 Unique 2.32, 3.55 A)
&rst
ixpk= 4414, nxpk= 20, iat= -1, 248, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 254, 262,
&end
#
# 17 PHE HD 17 PHE HB- 4.50 (# 4415:20 Unique 2.30, 3.10 A)
&rst
ixpk= 4415, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 254, 262,
igr2= 250, 251,
&end
#
# 17 PHE HD 17 PHE HB+ 4.50 (# 4416:20 Unique 2.30, 3.10 A)
&rst
ixpk= 4416, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 254, 262,
igr2= 250, 251,
&end
#
# 121 ARG HA 121 ARG HG- 7.00 (# 4417:20 Unique 2.46, 3.53 A)
&rst
ixpk= 4417, nxpk= 20, iat=1866, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1871,1872,
&end
#
# 22 GLU HB- 22 GLU HG+ 4.50 (# 4418:20 Unique 2.28, 2.73 A)
&rst
ixpk= 4418, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 341, 342,
igr2= 344, 345,
&end
#
# 115 HIS HA 115 HIS HB- 2.80 (# 4419:20 Unique 2.41, 2.77 A)
&rst
ixpk= 4419, nxpk= 20, iat=1763, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1765,1766,
&end
#
# 61 LYS HN 61 LYS HG+ 7.00 (# 4420:20 Unique 2.98, 3.87 A)
&rst
ixpk= 4420, nxpk= 20, iat= 895, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 902, 903,
&end
#
# 61 LYS HN 61 LYS HG- 7.00 (# 4421:20 Unique 2.98, 3.87 A)
&rst
ixpk= 4421, nxpk= 20, iat= 895, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 902, 903,
&end
#
# 62 ARG HN 61 LYS HG- 5.50 (# 4422:20 Unique 3.16, 4.49 A)
&rst
ixpk= 4422, nxpk= 20, iat= 917, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 902, 903,
&end
#
# 61 LYS HA 61 LYS HD- 7.00 (# 4423:20 Unique 2.98, 4.63 A)
&rst
ixpk= 4423, nxpk= 20, iat= 897, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 905, 906,
&end
#
# 61 LYS HE+ 61 LYS HD- 3.50 (# 4425:20 Unique 2.23, 2.66 A)
&rst
ixpk= 4425, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 908, 909,
igr2= 905, 906,
&end
#
# 37 ALA MB 61 LYS HD- 3.50 (# 4426:20 Unique 2.22, 3.75 A)
&rst
ixpk= 4426, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 584, 585, 586,
igr2= 905, 906,
&end
#
# 0 AMB 20-2:4427 61 LYS HD- 2.80 (# 4427:20 Single Ambig)
&rst
ixpk= 4427, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 902, 903, 806,
igr2= 905, 906,
&end
#
# 116 PHE HD 24 TRP HE1 5.50 (# 4:10 Unique 6.39, 9.55 A)
&rst
ixpk= 4, nxpk= 10, iat= -1, 379, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1786,1794,
&end
#
# 0 AMB 10-2:5 24 TRP HE1 5.50 (# 5:10 Single Ambig)
&rst
ixpk= 5, nxpk= 10, iat= -1, 379, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1735, 254, 262,1730,1731,1798,
&end
#
# 22 GLU HB- 24 TRP HE1 7.00 (# 7:10 Unique 3.82, 5.99 A)
&rst
ixpk= 7, nxpk= 10, iat= -1, 379, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 341, 342,
&end
#
# 15 GLU HB+ 24 TRP HE1 7.00 (# 9:10 Unique 2.39, 4.61 A)
&rst
ixpk= 9, nxpk= 10, iat= -1, 379, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 216, 217,
&end
#
# 15 GLU HG+ 24 TRP HE1 5.50 (# 10:10 Unique 2.23, 3.82 A)
&rst
ixpk= 10, nxpk= 10, iat= -1, 379, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 219, 220,
&end
#
# 114 GLU HG- 24 TRP HE1 7.00 (# 11:10 Unique 1.77, 4.76 A)
&rst
ixpk= 11, nxpk= 10, iat= -1, 379, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1753,1754,
&end
#
# 114 GLU HG+ 24 TRP HE1 7.00 (# 12:10 Unique 1.77, 4.76 A)
&rst
ixpk= 12, nxpk= 10, iat= -1, 379, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1753,1754,
&end
#
# 62 ARG HN 61 LYS HN 7.00 (# 21:10 Unique 4.37, 4.42 A)
&rst
ixpk= 21, nxpk= 10, iat= 917, 895, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 0 AMB 10-2:22 61 LYS HN 5.50 (# 22:10 Single Ambig)
&rst
ixpk= 22, nxpk= 10, iat= -1, 895, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 580, 864,
&end
#
# 77 ASN HN 15 GLU HN 7.00 (# 23:10 Unique 3.97, 4.51 A)
&rst
ixpk= 23, nxpk= 10, iat=1155, 212, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 0 AMB 10-2:25 37 ALA HN 5.50 (# 25:10 Single Ambig)
&rst
ixpk= 25, nxpk= 10, iat= -1, 580, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 895, 544,
&end
#
# 61 LYS HA 61 LYS HN 4.50 (# 26:10 Unique 2.96, 2.98 A)
&rst
ixpk= 26, nxpk= 10, iat= 897, 895, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 36 LEU HA 61 LYS HN 4.50 (# 27:10 Unique 2.99, 3.43 A)
&rst
ixpk= 27, nxpk= 10, iat= 563, 895, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 60 VAL HA 61 LYS HN 2.80 (# 28:10 Unique 2.20, 2.22 A)
&rst
ixpk= 28, nxpk= 10, iat= 881, 895, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:29 61 LYS HN 4.50 (# 29:10 Single Ambig)
&rst
ixpk= 29, nxpk= 10, iat= -1, 895, r1= 0.00, r2= 1.80, r3= 6.71, r4= 7.46,
igr1=1524,1525,1526,1528,1529,1530, 535, 536, 584, 585,
586,
&end
#
# 34 ILE QG2 61 LYS HN 7.00 (# 30:10 Unique 3.23, 4.37 A)
&rst
ixpk= 30, nxpk= 10, iat= -1, 895, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1= 531, 532, 533,
&end
#
# 60 VAL MGX 61 LYS HN 3.50 (# 31:10 Unique 2.80, 4.31 A)
&rst
ixpk= 31, nxpk= 10, iat= -1, 895, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 885, 886, 887, 889, 890, 891,
&end
#
# 35 HIS HD2 61 LYS HN 5.50 (# 32:10 Unique 2.50, 3.42 A)
&rst
ixpk= 32, nxpk= 10, iat= 557, 895, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 61 LYS HA 61 LYS HN 4.50 (# 33:10 Unique 2.96, 2.98 A)
&rst
ixpk= 33, nxpk= 10, iat= 897, 895, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 61 LYS HB- 61 LYS HN 4.50 (# 34:10 Unique 2.51, 3.24 A)
&rst
ixpk= 34, nxpk= 10, iat= -1, 895, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 899, 900,
&end
#
# 0 AMB 10-2:35 61 LYS HN 3.50 (# 35:10 Single Ambig)
&rst
ixpk= 35, nxpk= 10, iat= -1, 895, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 899, 900, 905, 906,
&end
#
# 61 LYS HG- 61 LYS HN 5.50 (# 36:10 Unique 2.98, 3.87 A)
&rst
ixpk= 36, nxpk= 10, iat= -1, 895, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 902, 903,
&end
#
# 60 VAL MGY 61 LYS HN 4.50 (# 37:10 Unique 2.80, 4.31 A)
&rst
ixpk= 37, nxpk= 10, iat= -1, 895, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 885, 886, 887, 889, 890, 891,
&end
#
# 14 ILE HA 15 GLU HN 2.80 (# 39:10 Unique 2.14, 2.24 A)
&rst
ixpk= 39, nxpk= 10, iat= 195, 212, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:40 15 GLU HN 4.50 (# 40:10 Single Ambig)
&rst
ixpk= 40, nxpk= 10, iat= -1, 212, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1122,1123, 197,
&end
#
# 15 GLU HB+ 15 GLU HN 3.50 (# 41:10 Unique 2.21, 2.87 A)
&rst
ixpk= 41, nxpk= 10, iat= -1, 212, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 216, 217,
&end
#
# 14 ILE QG2 15 GLU HN 3.50 (# 42:10 Unique 2.17, 3.31 A)
&rst
ixpk= 42, nxpk= 10, iat= -1, 212, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 199, 200, 201,
&end
#
# 75 ARG HN 15 GLU HN 5.50 (# 43:10 Unique 2.61, 2.83 A)
&rst
ixpk= 43, nxpk= 10, iat=1115, 212, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:44 15 GLU HN 3.50 (# 44:10 Single Ambig)
&rst
ixpk= 44, nxpk= 10, iat= -1, 212, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 214,1159,1160,
&end
#
# 15 GLU HB- 15 GLU HN 4.50 (# 45:10 Unique 2.21, 2.87 A)
&rst
ixpk= 45, nxpk= 10, iat= -1, 212, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 216, 217,
&end
#
# 0 AMB 10-2:47 37 ALA HN 7.00 (# 47:10 Single Ambig)
&rst
ixpk= 47, nxpk= 10, iat= -1, 580, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 905, 906, 899, 900,
&end
#
# 36 LEU MDX 37 ALA HN 3.50 (# 48:10 Unique 2.43, 4.81 A)
&rst
ixpk= 48, nxpk= 10, iat= -1, 580, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 570, 571, 572, 574, 575, 576,
&end
#
# 37 ALA HA 37 ALA HN 3.50 (# 49:10 Unique 2.81, 2.87 A)
&rst
ixpk= 49, nxpk= 10, iat= 582, 580, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 36 LEU HA 37 ALA HN 2.80 (# 50:10 Unique 2.09, 2.15 A)
&rst
ixpk= 50, nxpk= 10, iat= 563, 580, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 37 ALA MB 37 ALA HN 2.80 (# 51:10 Unique 2.35, 2.85 A)
&rst
ixpk= 51, nxpk= 10, iat= -1, 580, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 584, 585, 586,
&end
#
# 0 AMB 10-2:52 37 ALA HN 4.50 (# 52:10 Single Ambig)
&rst
ixpk= 52, nxpk= 10, iat= -1, 580, r1= 0.00, r2= 1.80, r3= 6.99, r4= 7.74,
igr1= 565, 566, 808, 809, 810, 812, 813, 814, 885, 886,
887, 889, 890, 891,
&end
#
# 0 AMB 10-2:54 61 LYS HN 5.50 (# 54:10 Single Ambig)
&rst
ixpk= 54, nxpk= 10, iat= -1, 895, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 883, 948, 949,
&end
#
# 27 TYR HD 27 TYR HN 5.50 (# 55:10 Unique 4.46, 4.69 A)
&rst
ixpk= 55, nxpk= 10, iat= -1, 422, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 430, 439,
&end
#
# 26 LEU HA 27 TYR HN 2.80 (# 56:10 Unique 2.18, 2.23 A)
&rst
ixpk= 56, nxpk= 10, iat= 405, 422, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 13 LEU HA 27 TYR HN 7.00 (# 57:10 Unique 3.16, 3.50 A)
&rst
ixpk= 57, nxpk= 10, iat= 176, 422, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 27 TYR HA 27 TYR HN 4.50 (# 58:10 Unique 2.87, 2.90 A)
&rst
ixpk= 58, nxpk= 10, iat= 424, 422, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 27 TYR HB+ 27 TYR HN 3.50 (# 59:10 Unique 2.27, 2.41 A)
&rst
ixpk= 59, nxpk= 10, iat= -1, 422, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 426, 427,
&end
#
# 27 TYR HB- 27 TYR HN 3.50 (# 60:10 Unique 2.27, 2.41 A)
&rst
ixpk= 60, nxpk= 10, iat= -1, 422, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 426, 427,
&end
#
# 26 LEU HB- 27 TYR HN 7.00 (# 61:10 Unique 4.19, 4.40 A)
&rst
ixpk= 61, nxpk= 10, iat= -1, 422, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 407, 408,
&end
#
# 0 AMB 10-2:62 27 TYR HN 3.50 (# 62:10 Single Ambig)
&rst
ixpk= 62, nxpk= 10, iat= -1, 422, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 412, 413, 414, 416, 417, 418, 203, 204,
&end
#
# 0 AMB 10-2:63 27 TYR HN 3.50 (# 63:10 Single Ambig)
&rst
ixpk= 63, nxpk= 10, iat= -1, 422, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 412, 413, 414, 416, 417, 418, 515, 516, 517, 519,
520, 521,
&end
#
# 14 ILE QD1 27 TYR HN 3.50 (# 64:10 Unique 2.50, 4.19 A)
&rst
ixpk= 64, nxpk= 10, iat= -1, 422, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 206, 207, 208,
&end
#
# 17 PHE HD 17 PHE HN 5.50 (# 67:10 Unique 2.83, 4.48 A)
&rst
ixpk= 67, nxpk= 10, iat= -1, 246, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 254, 262,
&end
#
# 74 TYR HA 17 PHE HN 4.50 (# 68:10 Unique 2.37, 3.16 A)
&rst
ixpk= 68, nxpk= 10, iat=1096, 246, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 16 ILE QG2 17 PHE HN 3.50 (# 69:10 Unique 2.55, 3.67 A)
&rst
ixpk= 69, nxpk= 10, iat= -1, 246, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 233, 234, 235,
&end
#
# 17 PHE HA 17 PHE HN 3.50 (# 70:10 Unique 2.84, 2.92 A)
&rst
ixpk= 70, nxpk= 10, iat= 248, 246, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 16 ILE HA 17 PHE HN 2.80 (# 71:10 Unique 2.08, 2.14 A)
&rst
ixpk= 71, nxpk= 10, iat= 229, 246, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:72 17 PHE HN 3.50 (# 72:10 Single Ambig)
&rst
ixpk= 72, nxpk= 10, iat= -1, 246, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 250, 251,1076,1077,
&end
#
# 0 AMB 10-2:73 17 PHE HN 3.50 (# 73:10 Single Ambig)
&rst
ixpk= 73, nxpk= 10, iat= -1, 246, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 250, 251,1076,1077,
&end
#
# 74 TYR HB- 17 PHE HN 7.00 (# 74:10 Unique 4.02, 4.86 A)
&rst
ixpk= 74, nxpk= 10, iat= -1, 246, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1098,1099,
&end
#
# 0 AMB 10-2:75 17 PHE HN 5.50 (# 75:10 Single Ambig)
&rst
ixpk= 75, nxpk= 10, iat= -1, 246, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1083,1115,
&end
#
# 0 AMB 10-2:76 17 PHE HN 5.50 (# 76:10 Single Ambig)
&rst
ixpk= 76, nxpk= 10, iat= -1, 246, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 268,1117,
&end
#
# 0 AMB 10-2:77 17 PHE HN 4.50 (# 77:10 Single Ambig)
&rst
ixpk= 77, nxpk= 10, iat= -1, 246, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 237, 238, 240, 241, 242,
&end
#
# 77 ASN HB+ 77 ASN HN 5.50 (# 79:10 Unique 2.49, 3.11 A)
&rst
ixpk= 79, nxpk= 10, iat= -1,1155, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1159,1160,
&end
#
# 0 AMB 10-2:80 77 ASN HN 5.50 (# 80:10 Single Ambig)
&rst
ixpk= 80, nxpk= 10, iat= -1,1155, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 199, 200, 201, 206, 207, 208,
&end
#
# 78 ASN HN 77 ASN HN 4.50 (# 81:10 Unique 2.18, 3.10 A)
&rst
ixpk= 81, nxpk= 10, iat=1169,1155, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 77 ASN HA 77 ASN HN 3.50 (# 82:10 Unique 2.80, 2.94 A)
&rst
ixpk= 82, nxpk= 10, iat=1157,1155, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:83 77 ASN HN 2.80 (# 83:10 Single Ambig)
&rst
ixpk= 83, nxpk= 10, iat= -1,1155, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1141, 195,
&end
#
# 77 ASN HB- 77 ASN HN 4.50 (# 84:10 Unique 2.49, 3.11 A)
&rst
ixpk= 84, nxpk= 10, iat= -1,1155, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1159,1160,
&end
#
# 76 VAL HB 77 ASN HN 5.50 (# 85:10 Unique 2.74, 3.35 A)
&rst
ixpk= 85, nxpk= 10, iat=1143,1155, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:86 77 ASN HN 7.00 (# 86:10 Single Ambig)
&rst
ixpk= 86, nxpk= 10, iat= -1,1155, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 203, 204,1122,1123,
&end
#
# 76 VAL MGY 77 ASN HN 3.50 (# 87:10 Unique 2.68, 4.53 A)
&rst
ixpk= 87, nxpk= 10, iat= -1,1155, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1145,1146,1147,1149,1150,1151,
&end
#
# 76 VAL HN 77 ASN HN 5.50 (# 88:10 Unique 4.21, 4.56 A)
&rst
ixpk= 88, nxpk= 10, iat=1139,1155, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 90 GLU HN 89 VAL HN 3.50 (# 90:10 Unique 2.96, 3.16 A)
&rst
ixpk= 90, nxpk= 10, iat=1363,1347, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:91 89 VAL HN 4.50 (# 91:10 Single Ambig)
&rst
ixpk= 91, nxpk= 10, iat= -1,1347, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1316,1317,1340,1341,1313,1314,
&end
#
# 89 VAL MGY 89 VAL HN 3.50 (# 92:10 Unique 1.95, 3.74 A)
&rst
ixpk= 92, nxpk= 10, iat= -1,1347, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1353,1354,1355,1357,1358,1359,
&end
#
# 88 PRO HA 89 VAL HN 2.80 (# 97:10 Unique 2.10, 2.19 A)
&rst
ixpk= 97, nxpk= 10, iat=1343,1347, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 89 VAL HA 89 VAL HN 3.50 (# 98:10 Unique 2.60, 2.70 A)
&rst
ixpk= 98, nxpk= 10, iat=1349,1347, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 88 PRO HB- 89 VAL HN 4.50 (# 99:10 Unique 3.59, 4.17 A)
&rst
ixpk= 99, nxpk= 10, iat= -1,1347, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1340,1341,
&end
#
# 0 AMB 10-2:100 89 VAL HN 5.50 (# 100:10 Single Ambig)
&rst
ixpk= 100, nxpk= 10, iat= -1,1347, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1337,1338,1382,
&end
#
# 89 VAL HB 89 VAL HN 2.80 (# 101:10 Unique 2.25, 2.41 A)
&rst
ixpk= 101, nxpk= 10, iat=1351,1347, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 89 VAL MGX 89 VAL HN 3.50 (# 102:10 Unique 1.95, 3.74 A)
&rst
ixpk= 102, nxpk= 10, iat= -1,1347, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1353,1354,1355,1357,1358,1359,
&end
#
# 0 AMB 10-2:106 0 AMB 10-1:106 5.50 (# 106:10 Double Ambig)
&rst
ixpk= 106, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1541, 864, 843,
igr2= 879, 854,
&end
#
# 0 AMB 10-2:107 60 VAL HN 5.50 (# 107:10 Single Ambig)
&rst
ixpk= 107, nxpk= 10, iat= -1, 879, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1536,1537, 856,
&end
#
# 101 GLY HA+ 60 VAL HN 7.00 (# 108:10 Unique 4.45, 5.30 A)
&rst
ixpk= 108, nxpk= 10, iat= -1, 879, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1536,1537,
&end
#
# 57 SER HA 58 ALA HN 3.50 (# 111:10 Unique 2.26, 2.53 A)
&rst
ixpk= 111, nxpk= 10, iat= 845, 854, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 58 ALA HA 58 ALA HN 3.50 (# 112:10 Unique 2.84, 2.91 A)
&rst
ixpk= 112, nxpk= 10, iat= 856, 854, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:113 58 ALA HN 4.50 (# 113:10 Single Ambig)
&rst
ixpk= 113, nxpk= 10, iat= -1, 854, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 614,1599,
&end
#
# 0 AMB 10-2:114 58 ALA HN 3.50 (# 114:10 Single Ambig)
&rst
ixpk= 114, nxpk= 10, iat= -1, 854, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 847, 848, 847, 848,
&end
#
# 58 ALA MB 58 ALA HN 2.80 (# 115:10 Unique 2.31, 2.92 A)
&rst
ixpk= 115, nxpk= 10, iat= -1, 854, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 858, 859, 860,
&end
#
# 0 AMB 10-2:116 0 AMB 10-1:116 3.50 (# 116:10 Double Ambig)
&rst
ixpk= 116, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1607,1608,1601,1602, 868, 869,1584,1585,
igr2= 854, 879,
&end
#
# 57 SER HA 58 ALA HN 3.50 (# 117:10 Unique 2.26, 2.53 A)
&rst
ixpk= 117, nxpk= 10, iat= 845, 854, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 60 VAL HA 60 VAL HN 4.50 (# 118:10 Unique 2.90, 2.92 A)
&rst
ixpk= 118, nxpk= 10, iat= 881, 879, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 100 VAL HA 60 VAL HN 5.50 (# 119:10 Unique 4.23, 4.34 A)
&rst
ixpk= 119, nxpk= 10, iat=1520, 879, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:120 60 VAL HN 4.50 (# 120:10 Single Ambig)
&rst
ixpk= 120, nxpk= 10, iat= -1, 879, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1541, 864,
&end
#
# 59 GLU HA 60 VAL HN 2.80 (# 121:10 Unique 2.18, 2.23 A)
&rst
ixpk= 121, nxpk= 10, iat= 866, 879, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 60 VAL HB 60 VAL HN 3.50 (# 122:10 Unique 2.42, 2.50 A)
&rst
ixpk= 122, nxpk= 10, iat= 883, 879, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 59 GLU HG+ 60 VAL HN 3.50 (# 123:10 Unique 2.63, 2.98 A)
&rst
ixpk= 123, nxpk= 10, iat= -1, 879, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 871, 872,
&end
#
# 0 AMB 10-2:124 60 VAL HN 4.50 (# 124:10 Single Ambig)
&rst
ixpk= 124, nxpk= 10, iat= -1, 879, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 868, 869,1562,1563,
&end
#
# 60 VAL MGX 60 VAL HN 4.50 (# 125:10 Unique 2.13, 3.87 A)
&rst
ixpk= 125, nxpk= 10, iat= -1, 879, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 885, 886, 887, 889, 890, 891,
&end
#
# 60 VAL MGY 60 VAL HN 2.80 (# 126:10 Unique 2.13, 3.87 A)
&rst
ixpk= 126, nxpk= 10, iat= -1, 879, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 885, 886, 887, 889, 890, 891,
&end
#
# 103 LYS HA 60 VAL HN 4.50 (# 128:10 Unique 3.40, 3.68 A)
&rst
ixpk= 128, nxpk= 10, iat=1560, 879, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:129 60 VAL HN 7.00 (# 129:10 Single Ambig)
&rst
ixpk= 129, nxpk= 10, iat= -1, 879, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1545,1546,1584,1585,
&end
#
# 114 GLU HA 114 GLU HN 7.00 (# 130:10 Unique 2.83, 2.86 A)
&rst
ixpk= 130, nxpk= 10, iat=1748,1746, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 114 GLU HB+ 114 GLU HN 5.50 (# 131:10 Unique 2.37, 3.01 A)
&rst
ixpk= 131, nxpk= 10, iat= -1,1746, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1750,1751,
&end
#
# 23 HIS HN 16 ILE HN 5.50 (# 132:10 Unique 2.82, 3.15 A)
&rst
ixpk= 132, nxpk= 10, iat= 352, 227, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 24 TRP HA 16 ILE HN 5.50 (# 133:10 Unique 2.39, 3.02 A)
&rst
ixpk= 133, nxpk= 10, iat= 371, 227, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 16 ILE HA 16 ILE HN 5.50 (# 134:10 Unique 2.96, 2.98 A)
&rst
ixpk= 134, nxpk= 10, iat= 229, 227, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 15 GLU HA 16 ILE HN 2.80 (# 135:10 Unique 2.20, 2.29 A)
&rst
ixpk= 135, nxpk= 10, iat= 214, 227, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:136 0 AMB 10-1:136 3.50 (# 136:10 Double Ambig)
&rst
ixpk= 136, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 231,1568,1569,
igr2= 227, 854,
&end
#
# 0 AMB 10-2:137 0 AMB 10-1:137 3.50 (# 137:10 Double Ambig)
&rst
ixpk= 137, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 237, 238,1604,1605, 216, 217,
igr2= 227, 854,
&end
#
# 0 AMB 10-2:138 16 ILE HN 2.80 (# 138:10 Single Ambig)
&rst
ixpk= 138, nxpk= 10, iat= -1, 227, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
igr1= 237, 238, 240, 241, 242,
&end
#
# 0 AMB 10-2:139 0 AMB 10-1:139 4.50 (# 139:10 Double Ambig)
&rst
ixpk= 139, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 808, 809, 810, 812, 813, 814, 233, 234, 235,
igr2= 854, 227,
&end
#
# 115 HIS HN 114 GLU HN 5.50 (# 140:10 Unique 2.57, 2.71 A)
&rst
ixpk= 140, nxpk= 10, iat=1761,1746, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 114 GLU HA 114 GLU HN 5.50 (# 141:10 Unique 2.83, 2.86 A)
&rst
ixpk= 141, nxpk= 10, iat=1748,1746, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 62 ARG HA 63 GLU HN 2.80 (# 142:10 Unique 2.24, 2.31 A)
&rst
ixpk= 142, nxpk= 10, iat= 919, 941, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 34 ILE HA 63 GLU HN 4.50 (# 143:10 Unique 3.19, 3.39 A)
&rst
ixpk= 143, nxpk= 10, iat= 527, 941, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:144 63 GLU HN 3.50 (# 144:10 Single Ambig)
&rst
ixpk= 144, nxpk= 10, iat= -1, 941, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 945, 946, 948, 949,
&end
#
# 62 ARG HB- 63 GLU HN 5.50 (# 145:10 Unique 2.53, 3.74 A)
&rst
ixpk= 145, nxpk= 10, iat= -1, 941, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 921, 922,
&end
#
# 63 GLU HB+ 63 GLU HN 3.50 (# 146:10 Unique 2.58, 3.31 A)
&rst
ixpk= 146, nxpk= 10, iat= -1, 941, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 945, 946,
&end
#
# 0 AMB 10-2:147 63 GLU HN 4.50 (# 147:10 Single Ambig)
&rst
ixpk= 147, nxpk= 10, iat= -1, 941, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 924, 925, 921, 922,
&end
#
# 62 ARG HG+ 63 GLU HN 4.50 (# 148:10 Unique 2.34, 3.42 A)
&rst
ixpk= 148, nxpk= 10, iat= -1, 941, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 924, 925,
&end
#
# 33 VAL MGY 63 GLU HN 3.50 (# 149:10 Unique 2.85, 5.21 A)
&rst
ixpk= 149, nxpk= 10, iat= -1, 941, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 515, 516, 517, 519, 520, 521,
&end
#
# 33 VAL HN 63 GLU HN 3.50 (# 150:10 Unique 2.65, 2.74 A)
&rst
ixpk= 150, nxpk= 10, iat= 509, 941, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 32 TYR HD 63 GLU HN 5.50 (# 151:10 Unique 2.89, 5.52 A)
&rst
ixpk= 151, nxpk= 10, iat= -1, 941, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 496, 505,
&end
#
# 63 GLU HA 63 GLU HN 3.50 (# 152:10 Unique 2.91, 2.96 A)
&rst
ixpk= 152, nxpk= 10, iat= 943, 941, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:153 63 GLU HN 4.50 (# 153:10 Single Ambig)
&rst
ixpk= 153, nxpk= 10, iat= -1, 941, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 535, 536, 963, 964,
&end
#
# 33 VAL MGX 63 GLU HN 5.50 (# 154:10 Unique 2.85, 5.21 A)
&rst
ixpk= 154, nxpk= 10, iat= -1, 941, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 515, 516, 517, 519, 520, 521,
&end
#
# 0 AMB 10-2:156 16 ILE HN 7.00 (# 156:10 Single Ambig)
&rst
ixpk= 156, nxpk= 10, iat= -1, 227, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 356, 357,1098,1099,
&end
#
# 114 GLU HB- 114 GLU HN 3.50 (# 158:10 Unique 2.37, 3.01 A)
&rst
ixpk= 158, nxpk= 10, iat= -1,1746, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1750,1751,
&end
#
# 114 GLU HB+ 114 GLU HN 4.50 (# 159:10 Unique 2.37, 3.01 A)
&rst
ixpk= 159, nxpk= 10, iat= -1,1746, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1750,1751,
&end
#
# 8 PRO HG+ 31 GLY HN 7.00 (# 161:10 Unique 5.69, 6.95 A)
&rst
ixpk= 161, nxpk= 10, iat= -1, 481, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 109, 110,
&end
#
# 33 VAL MGX 65 LEU HN 5.50 (# 162:10 Unique 2.84, 4.86 A)
&rst
ixpk= 162, nxpk= 10, iat= -1, 980, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 515, 516, 517, 519, 520, 521,
&end
#
# 66 GLU HN 65 LEU HN 4.50 (# 163:10 Unique 2.67, 2.77 A)
&rst
ixpk= 163, nxpk= 10, iat= 999, 980, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:164 65 LEU HN 4.50 (# 164:10 Single Ambig)
&rst
ixpk= 164, nxpk= 10, iat= -1, 980, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 509, 956,
&end
#
# 32 TYR HA 65 LEU HN 3.50 (# 165:10 Unique 2.04, 2.27 A)
&rst
ixpk= 165, nxpk= 10, iat= 490, 980, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 64 ARG HA 65 LEU HN 2.80 (# 166:10 Unique 2.10, 2.18 A)
&rst
ixpk= 166, nxpk= 10, iat= 958, 980, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 65 LEU HA 65 LEU HN 3.50 (# 167:10 Unique 2.81, 2.85 A)
&rst
ixpk= 167, nxpk= 10, iat= 982, 980, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:168 65 LEU HN 2.80 (# 168:10 Single Ambig)
&rst
ixpk= 168, nxpk= 10, iat= -1, 980, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 984, 985, 960, 961,
&end
#
# 65 LEU HB+ 65 LEU HN 2.80 (# 169:10 Unique 2.43, 2.52 A)
&rst
ixpk= 169, nxpk= 10, iat= -1, 980, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 984, 985,
&end
#
# 0 AMB 10-2:170 65 LEU HN 4.50 (# 170:10 Single Ambig)
&rst
ixpk= 170, nxpk= 10, iat= -1, 980, r1= 0.00, r2= 1.80, r3= 6.99, r4= 7.74,
igr1= 989, 990, 991, 993, 994, 995,1048,1049,1050,1052,
1053,1054, 453, 454,
&end
#
# 0 AMB 10-2:171 65 LEU HN 4.50 (# 171:10 Single Ambig)
&rst
ixpk= 171, nxpk= 10, iat= -1, 980, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 515, 516, 517, 519, 520, 521,1032,1033,1034,1036,
1037,1038,1032,1033,1034,1036,1037,1038,
&end
#
# 19 LEU HN 18 ARG HN 7.00 (# 174:10 Unique 2.25, 3.53 A)
&rst
ixpk= 174, nxpk= 10, iat= 290, 266, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 23 HIS HN 18 ARG HN 7.00 (# 175:10 Unique 3.02, 4.42 A)
&rst
ixpk= 175, nxpk= 10, iat= 352, 266, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 0 AMB 10-2:177 18 ARG HN 3.50 (# 177:10 Single Ambig)
&rst
ixpk= 177, nxpk= 10, iat= -1, 266, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 341, 342, 270, 271, 273, 274,
&end
#
# 18 ARG HG- 18 ARG HN 4.50 (# 178:10 Unique 2.38, 3.70 A)
&rst
ixpk= 178, nxpk= 10, iat= -1, 266, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 273, 274,
&end
#
# 0 AMB 10-2:179 18 ARG HN 4.50 (# 179:10 Single Ambig)
&rst
ixpk= 179, nxpk= 10, iat= -1, 266, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 250, 251, 276, 277,
&end
#
# 0 AMB 10-2:180 18 ARG HN 4.50 (# 180:10 Single Ambig)
&rst
ixpk= 180, nxpk= 10, iat= -1, 266, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 250, 251,1076,1077, 276, 277,
&end
#
# 23 HIS HA 24 TRP HN 3.50 (# 182:10 Unique 2.33, 2.58 A)
&rst
ixpk= 182, nxpk= 10, iat= 354, 369, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 24 TRP HB+ 24 TRP HN 5.50 (# 183:10 Unique 2.40, 3.19 A)
&rst
ixpk= 183, nxpk= 10, iat= -1, 369, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 373, 374,
&end
#
# 7 GLU HA 7 GLU HN 4.50 (# 184:10 Unique 2.18, 2.83 A)
&rst
ixpk= 184, nxpk= 10, iat= 92, 90, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 17 PHE HA 18 ARG HN 3.50 (# 185:10 Unique 2.20, 2.29 A)
&rst
ixpk= 185, nxpk= 10, iat= 248, 266, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 22 GLU HA 18 ARG HN 4.50 (# 186:10 Unique 1.98, 2.64 A)
&rst
ixpk= 186, nxpk= 10, iat= 339, 266, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 22 GLU HG- 18 ARG HN 5.50 (# 187:10 Unique 1.75, 3.63 A)
&rst
ixpk= 187, nxpk= 10, iat= -1, 266, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 344, 345,
&end
#
# 18 ARG HB+ 18 ARG HN 3.50 (# 188:10 Unique 2.12, 3.15 A)
&rst
ixpk= 188, nxpk= 10, iat= -1, 266, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 270, 271,
&end
#
# 24 TRP HB- 24 TRP HN 5.50 (# 189:10 Unique 2.40, 3.19 A)
&rst
ixpk= 189, nxpk= 10, iat= -1, 369, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 373, 374,
&end
#
# 24 TRP HB- 24 TRP HN 5.50 (# 190:10 Unique 2.40, 3.19 A)
&rst
ixpk= 190, nxpk= 10, iat= -1, 369, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 373, 374,
&end
#
# 24 TRP HA 24 TRP HN 5.50 (# 191:10 Unique 2.93, 2.96 A)
&rst
ixpk= 191, nxpk= 10, iat= 371, 369, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:194 7 GLU HN 5.50 (# 194:10 Single Ambig)
&rst
ixpk= 194, nxpk= 10, iat= -1, 90, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 129, 130, 97, 98,
&end
#
# 0 AMB 10-2:195 7 GLU HN 7.00 (# 195:10 Single Ambig)
&rst
ixpk= 195, nxpk= 10, iat= -1, 90, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1117, 195,
&end
#
# 6 GLN HA 7 GLU HN 3.50 (# 196:10 Unique 2.17, 2.48 A)
&rst
ixpk= 196, nxpk= 10, iat= 75, 90, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:197 7 GLU HN 3.50 (# 197:10 Single Ambig)
&rst
ixpk= 197, nxpk= 10, iat= -1, 90, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 77, 78, 94, 95,
&end
#
# 77 ASN HN 78 ASN HN 4.50 (# 198:10 Unique 2.18, 3.10 A)
&rst
ixpk= 198, nxpk= 10, iat=1155,1169, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 78 ASN HA 78 ASN HN 3.50 (# 199:10 Unique 2.21, 2.87 A)
&rst
ixpk= 199, nxpk= 10, iat=1171,1169, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 77 ASN HB+ 78 ASN HN 5.50 (# 201:10 Unique 2.49, 4.37 A)
&rst
ixpk= 201, nxpk= 10, iat= -1,1169, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1159,1160,
&end
#
# 76 VAL MGY 78 ASN HN 4.50 (# 202:10 Unique 2.95, 5.82 A)
&rst
ixpk= 202, nxpk= 10, iat= -1,1169, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1145,1146,1147,1149,1150,1151,
&end
#
# 79 SER HN 78 ASN HN 3.50 (# 203:10 Unique 2.10, 2.70 A)
&rst
ixpk= 203, nxpk= 10, iat=1183,1169, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:204 78 ASN HN 5.50 (# 204:10 Single Ambig)
&rst
ixpk= 204, nxpk= 10, iat= -1,1169, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1178,1179,1178,1179,
&end
#
# 77 ASN HA 78 ASN HN 3.50 (# 205:10 Unique 2.13, 2.60 A)
&rst
ixpk= 205, nxpk= 10, iat=1157,1169, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:206 78 ASN HN 3.50 (# 206:10 Single Ambig)
&rst
ixpk= 206, nxpk= 10, iat= -1,1169, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1173,1174,1159,1160,
&end
#
# 78 ASN HB+ 78 ASN HN 3.50 (# 207:10 Unique 2.17, 2.95 A)
&rst
ixpk= 207, nxpk= 10, iat= -1,1169, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1173,1174,
&end
#
# 0 AMB 10-2:208 78 ASN HN 7.00 (# 208:10 Single Ambig)
&rst
ixpk= 208, nxpk= 10, iat= -1,1169, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 183, 184, 185, 187, 188, 189,1145,1146,1147,1149,
1150,1151,
&end
#
# 54 LEU HA 54 LEU HN 7.00 (# 211:10 Unique 2.21, 2.87 A)
&rst
ixpk= 211, nxpk= 10, iat= 801, 799, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 0 AMB 10-2:213 62 ARG HN 4.50 (# 213:10 Single Ambig)
&rst
ixpk= 213, nxpk= 10, iat= -1, 917, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 924, 925, 902, 903,
&end
#
# 61 LYS HN 62 ARG HN 5.50 (# 214:10 Unique 4.37, 4.42 A)
&rst
ixpk= 214, nxpk= 10, iat= 895, 917, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 61 LYS HA 62 ARG HN 2.80 (# 215:10 Unique 2.20, 2.32 A)
&rst
ixpk= 215, nxpk= 10, iat= 897, 917, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 62 ARG HB- 62 ARG HN 3.50 (# 216:10 Unique 2.36, 2.81 A)
&rst
ixpk= 216, nxpk= 10, iat= -1, 917, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 921, 922,
&end
#
# 0 AMB 10-2:217 62 ARG HN 2.80 (# 217:10 Single Ambig)
&rst
ixpk= 217, nxpk= 10, iat= -1, 917, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 921, 922, 924, 925, 899, 900,
&end
#
# 0 AMB 10-2:218 62 ARG HN 4.50 (# 218:10 Single Ambig)
&rst
ixpk= 218, nxpk= 10, iat= -1, 917, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1524,1525,1526,1528,1529,1530, 535, 536,
&end
#
# 54 LEU HB- 54 LEU HN 3.50 (# 220:10 Unique 2.05, 3.13 A)
&rst
ixpk= 220, nxpk= 10, iat= -1, 799, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 803, 804,
&end
#
# 0 AMB 10-2:223 0 AMB 10-1:223 4.50 (# 223:10 Double Ambig)
&rst
ixpk= 223, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 789, 790, 791, 793, 794, 795, 299, 300, 301, 303,
304, 305, 299, 300, 301, 303, 304, 305,
igr2= 799, 686,
&end
#
# 116 PHE HD 36 LEU HN 7.00 (# 225:10 Unique 3.73, 4.58 A)
&rst
ixpk= 225, nxpk= 10, iat= -1, 561, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1786,1794,
&end
#
# 0 AMB 10-2:226 62 ARG HN 4.50 (# 226:10 Single Ambig)
&rst
ixpk= 226, nxpk= 10, iat= -1, 917, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 941,1534,
&end
#
# 62 ARG HA 62 ARG HN 4.50 (# 227:10 Unique 2.93, 2.97 A)
&rst
ixpk= 227, nxpk= 10, iat= 919, 917, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 61 LYS HB- 62 ARG HN 3.50 (# 228:10 Unique 2.46, 3.38 A)
&rst
ixpk= 228, nxpk= 10, iat= -1, 917, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 899, 900,
&end
#
# 0 AMB 10-2:229 62 ARG HN 7.00 (# 229:10 Single Ambig)
&rst
ixpk= 229, nxpk= 10, iat= -1, 917, r1= 0.00, r2= 1.80, r3=10.99, r4=11.74,
igr1= 885, 886, 887, 889, 890, 891, 538, 539, 540, 515,
516, 517, 519, 520, 521,
&end
#
# 0 AMB 10-2:230 62 ARG HN 5.50 (# 230:10 Single Ambig)
&rst
ixpk= 230, nxpk= 10, iat= -1, 917, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 927, 928, 908, 909,
&end
#
# 0 AMB 10-2:232 0 AMB 10-1:232 5.50 (# 232:10 Double Ambig)
&rst
ixpk= 232, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 636, 637, 636, 637,
igr2= 799, 686,
&end
#
# 45 ALA MB 45 ALA HN 2.80 (# 233:10 Unique 2.35, 3.20 A)
&rst
ixpk= 233, nxpk= 10, iat= -1, 686, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 690, 691, 692,
&end
#
# 44 GLY HA+ 45 ALA HN 2.80 (# 236:10 Unique 2.20, 3.01 A)
&rst
ixpk= 236, nxpk= 10, iat= -1, 686, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 681, 682,
&end
#
# 41 GLU HB+ 45 ALA HN 5.50 (# 237:10 Unique 2.80, 5.25 A)
&rst
ixpk= 237, nxpk= 10, iat= -1, 686, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 633, 634,
&end
#
# 0 AMB 10-2:238 45 ALA HN 4.50 (# 238:10 Single Ambig)
&rst
ixpk= 238, nxpk= 10, iat= -1, 686, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 742, 743, 744, 746, 747, 748, 742, 743, 744, 746,
747, 748,
&end
#
# 35 HIS HA 36 LEU HN 3.50 (# 240:10 Unique 2.39, 2.52 A)
&rst
ixpk= 240, nxpk= 10, iat= 546, 561, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:242 36 LEU HN 3.50 (# 242:10 Single Ambig)
&rst
ixpk= 242, nxpk= 10, iat= -1, 561, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 548, 549, 548, 549,
&end
#
# 36 LEU HB- 36 LEU HN 4.50 (# 243:10 Unique 2.45, 2.83 A)
&rst
ixpk= 243, nxpk= 10, iat= -1, 561, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 565, 566,
&end
#
# 0 AMB 10-2:244 36 LEU HN 7.00 (# 244:10 Single Ambig)
&rst
ixpk= 244, nxpk= 10, iat= -1, 561, r1= 0.00, r2= 1.80, r3=10.99, r4=11.74,
igr1= 570, 571, 572, 574, 575, 576, 515, 516, 517, 519,
520, 521, 240, 241, 242,
&end
#
# 36 LEU HG 36 LEU HN 5.50 (# 246:10 Unique 4.30, 4.39 A)
&rst
ixpk= 246, nxpk= 10, iat= 568, 561, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 36 LEU HB+ 36 LEU HN 3.50 (# 247:10 Unique 2.45, 2.83 A)
&rst
ixpk= 247, nxpk= 10, iat= -1, 561, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 565, 566,
&end
#
# 75 ARG HG- 76 VAL HN 5.50 (# 249:10 Unique 2.42, 4.33 A)
&rst
ixpk= 249, nxpk= 10, iat= -1,1139, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1122,1123,
&end
#
# 60 VAL HA 35 HIS HN 7.00 (# 250:10 Unique 4.21, 4.38 A)
&rst
ixpk= 250, nxpk= 10, iat= 881, 544, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 0 AMB 10-2:251 35 HIS HN 4.50 (# 251:10 Single Ambig)
&rst
ixpk= 251, nxpk= 10, iat= -1, 544, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 899, 900, 529, 924, 925,
&end
#
# 0 AMB 10-2:252 35 HIS HN 4.50 (# 252:10 Single Ambig)
&rst
ixpk= 252, nxpk= 10, iat= -1, 544, r1= 0.00, r2= 1.80, r3= 6.71, r4= 7.46,
igr1= 535, 536,1524,1525,1526,1528,1529,1530, 397, 398,
399,
&end
#
# 0 AMB 10-2:254 76 VAL HN 3.50 (# 254:10 Single Ambig)
&rst
ixpk= 254, nxpk= 10, iat= -1,1139, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1143,1119,1120,
&end
#
# 76 VAL MGX 76 VAL HN 2.80 (# 255:10 Unique 1.97, 3.50 A)
&rst
ixpk= 255, nxpk= 10, iat= -1,1139, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1145,1146,1147,1149,1150,1151,
&end
#
# 35 HIS HD2 35 HIS HN 2.80 (# 258:10 Unique 2.28, 2.49 A)
&rst
ixpk= 258, nxpk= 10, iat= 557, 544, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 62 ARG HA 35 HIS HN 4.50 (# 259:10 Unique 3.42, 3.76 A)
&rst
ixpk= 259, nxpk= 10, iat= 919, 544, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 34 ILE HA 35 HIS HN 2.80 (# 260:10 Unique 2.18, 2.24 A)
&rst
ixpk= 260, nxpk= 10, iat= 527, 544, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 35 HIS HA 35 HIS HN 4.50 (# 261:10 Unique 2.92, 2.94 A)
&rst
ixpk= 261, nxpk= 10, iat= 546, 544, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 34 ILE HG1+ 35 HIS HN 5.50 (# 262:10 Unique 3.73, 4.31 A)
&rst
ixpk= 262, nxpk= 10, iat= -1, 544, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 535, 536,
&end
#
# 34 ILE QG2 35 HIS HN 3.50 (# 263:10 Unique 2.55, 3.39 A)
&rst
ixpk= 263, nxpk= 10, iat= -1, 544, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 531, 532, 533,
&end
#
# 0 AMB 10-2:264 35 HIS HN 3.50 (# 264:10 Single Ambig)
&rst
ixpk= 264, nxpk= 10, iat= -1, 544, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
igr1= 885, 886, 887, 889, 890, 891, 515, 516, 517, 519,
520, 521, 538, 539, 540,
&end
#
# 0 AMB 10-2:265 35 HIS HN 5.50 (# 265:10 Single Ambig)
&rst
ixpk= 265, nxpk= 10, iat= -1, 544, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 515, 516, 517, 519, 520, 521, 570, 571, 572, 574,
575, 576,1032,1033,1034,1036,1037,1038,
&end
#
# 0 AMB 10-2:270 26 LEU HN 5.50 (# 270:10 Single Ambig)
&rst
ixpk= 270, nxpk= 10, iat= -1, 403, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 206, 207, 208, 410,
&end
#
# 26 LEU HA 26 LEU HN 4.50 (# 271:10 Unique 2.96, 2.98 A)
&rst
ixpk= 271, nxpk= 10, iat= 405, 403, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 35 HIS HB- 26 LEU HN 5.50 (# 272:10 Unique 3.99, 4.78 A)
&rst
ixpk= 272, nxpk= 10, iat= -1, 403, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 548, 549,
&end
#
# 0 AMB 10-2:273 26 LEU HN 7.00 (# 273:10 Single Ambig)
&rst
ixpk= 273, nxpk= 10, iat= -1, 403, r1= 0.00, r2= 1.80, r3= 9.15, r4= 9.90,
igr1= 531, 532, 533,1849,1850,
&end
#
# 0 AMB 10-2:275 92 ILE HN 5.50 (# 275:10 Single Ambig)
&rst
ixpk= 275, nxpk= 10, iat= -1,1394, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1380,1447,1448,
&end
#
# 0 AMB 10-2:276 92 ILE HN 3.50 (# 276:10 Single Ambig)
&rst
ixpk= 276, nxpk= 10, iat= -1,1394, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1382,1337,1338,
&end
#
# 0 AMB 10-2:277 92 ILE HN 4.50 (# 277:10 Single Ambig)
&rst
ixpk= 277, nxpk= 10, iat= -1,1394, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1400,1401,1402, 412, 413, 414, 416, 417, 418,
&end
#
# 91 VAL HN 92 ILE HN 3.50 (# 278:10 Unique 2.44, 2.53 A)
&rst
ixpk= 278, nxpk= 10, iat=1378,1394, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 89 VAL HA 92 ILE HN 4.50 (# 279:10 Unique 3.41, 3.59 A)
&rst
ixpk= 279, nxpk= 10, iat=1349,1394, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 92 ILE HA 92 ILE HN 3.50 (# 280:10 Unique 2.88, 2.90 A)
&rst
ixpk= 280, nxpk= 10, iat=1396,1394, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 92 ILE HB 92 ILE HN 3.50 (# 281:10 Unique 2.21, 2.57 A)
&rst
ixpk= 281, nxpk= 10, iat=1398,1394, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 92 ILE HG1+ 92 ILE HN 2.80 (# 282:10 Unique 1.98, 3.01 A)
&rst
ixpk= 282, nxpk= 10, iat= -1,1394, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1404,1405,
&end
#
# 92 ILE HG1- 92 ILE HN 3.50 (# 283:10 Unique 1.98, 3.01 A)
&rst
ixpk= 283, nxpk= 10, iat= -1,1394, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1404,1405,
&end
#
# 0 AMB 10-2:284 92 ILE HN 3.50 (# 284:10 Single Ambig)
&rst
ixpk= 284, nxpk= 10, iat= -1,1394, r1= 0.00, r2= 1.80, r3= 5.43, r4= 6.18,
igr1=1384,1385,1386,1388,1389,1390,1923,1924,1353,1354,
1355,1357,1358,1359,
&end
#
# 92 ILE QD1 92 ILE HN 3.50 (# 285:10 Unique 2.58, 3.89 A)
&rst
ixpk= 285, nxpk= 10, iat= -1,1394, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1407,1408,1409,
&end
#
# 12 ASP HB+ 9 LYS HN 5.50 (# 286:10 Unique 1.91, 2.49 A)
&rst
ixpk= 286, nxpk= 10, iat= -1, 119, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 166, 167,
&end
#
# 34 ILE HN 26 LEU HN 3.50 (# 287:10 Unique 2.36, 2.55 A)
&rst
ixpk= 287, nxpk= 10, iat= 525, 403, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 25 ALA HA 26 LEU HN 2.80 (# 288:10 Unique 2.34, 2.43 A)
&rst
ixpk= 288, nxpk= 10, iat= 395, 403, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 26 LEU HB- 26 LEU HN 3.50 (# 289:10 Unique 2.53, 2.80 A)
&rst
ixpk= 289, nxpk= 10, iat= -1, 403, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 407, 408,
&end
#
# 26 LEU HB+ 26 LEU HN 2.80 (# 290:10 Unique 2.53, 2.80 A)
&rst
ixpk= 290, nxpk= 10, iat= -1, 403, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 407, 408,
&end
#
# 25 ALA MB 26 LEU HN 3.50 (# 291:10 Unique 2.23, 3.20 A)
&rst
ixpk= 291, nxpk= 10, iat= -1, 403, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 397, 398, 399,
&end
#
# 33 VAL MGX 26 LEU HN 4.50 (# 292:10 Unique 2.97, 5.04 A)
&rst
ixpk= 292, nxpk= 10, iat= -1, 403, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 515, 516, 517, 519, 520, 521,
&end
#
# 25 ALA HA 26 LEU HN 7.00 (# 293:10 Unique 2.34, 2.43 A)
&rst
ixpk= 293, nxpk= 10, iat= 395, 403, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 93 ILE HN 92 ILE HN 3.50 (# 296:10 Unique 2.44, 2.56 A)
&rst
ixpk= 296, nxpk= 10, iat=1413,1394, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 9 LYS HA 9 LYS HN 3.50 (# 298:10 Unique 2.91, 2.98 A)
&rst
ixpk= 298, nxpk= 10, iat= 121, 119, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 8 PRO HA 9 LYS HN 2.80 (# 299:10 Unique 2.34, 2.41 A)
&rst
ixpk= 299, nxpk= 10, iat= 115, 119, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 12 ASP HB- 9 LYS HN 4.50 (# 300:10 Unique 1.91, 2.49 A)
&rst
ixpk= 300, nxpk= 10, iat= -1, 119, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 166, 167,
&end
#
# 0 AMB 10-2:301 9 LYS HN 3.50 (# 301:10 Single Ambig)
&rst
ixpk= 301, nxpk= 10, iat= -1, 119, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 123, 124, 123, 124,
&end
#
# 9 LYS HG+ 9 LYS HN 4.50 (# 302:10 Unique 2.61, 4.16 A)
&rst
ixpk= 302, nxpk= 10, iat= -1, 119, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 126, 127,
&end
#
# 76 VAL MGX 9 LYS HN 3.50 (# 303:10 Unique 3.05, 5.33 A)
&rst
ixpk= 303, nxpk= 10, iat= -1, 119, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1145,1146,1147,1149,1150,1151,
&end
#
# 8 PRO HB+ 9 LYS HN 3.50 (# 304:10 Unique 2.63, 3.22 A)
&rst
ixpk= 304, nxpk= 10, iat= -1, 119, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 112, 113,
&end
#
# 23 HIS HB+ 23 HIS HN 4.50 (# 306:10 Unique 2.81, 3.52 A)
&rst
ixpk= 306, nxpk= 10, iat= -1, 352, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 356, 357,
&end
#
# 23 HIS HA 23 HIS HN 4.50 (# 307:10 Unique 2.81, 2.92 A)
&rst
ixpk= 307, nxpk= 10, iat= 354, 352, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 23 HIS HB- 23 HIS HN 4.50 (# 308:10 Unique 2.81, 3.52 A)
&rst
ixpk= 308, nxpk= 10, iat= -1, 352, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 356, 357,
&end
#
# 0 AMB 10-2:309 23 HIS HN 5.50 (# 309:10 Single Ambig)
&rst
ixpk= 309, nxpk= 10, iat= -1, 352, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 237, 238, 240, 241, 242,
&end
#
# 22 GLU HA 23 HIS HN 3.50 (# 311:10 Unique 2.17, 2.37 A)
&rst
ixpk= 311, nxpk= 10, iat= 339, 352, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 22 GLU HB- 23 HIS HN 5.50 (# 312:10 Unique 2.43, 3.37 A)
&rst
ixpk= 312, nxpk= 10, iat= -1, 352, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 341, 342,
&end
#
# 0 AMB 10-2:313 23 HIS HN 4.50 (# 313:10 Single Ambig)
&rst
ixpk= 313, nxpk= 10, iat= -1, 352, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 341, 342, 270, 271, 273, 274,
&end
#
# 66 GLU HN 64 ARG HN 7.00 (# 316:10 Unique 5.59, 5.76 A)
&rst
ixpk= 316, nxpk= 10, iat= 999, 956, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 0 AMB 10-2:317 64 ARG HN 4.50 (# 317:10 Single Ambig)
&rst
ixpk= 317, nxpk= 10, iat= -1, 956, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 496, 505,1014,
&end
#
# 0 AMB 10-2:318 64 ARG HN 4.50 (# 318:10 Single Ambig)
&rst
ixpk= 318, nxpk= 10, iat= -1, 956, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
1037,1038, 515, 516, 517, 519, 520, 521,
&end
#
# 16 ILE HN 23 HIS HN 5.50 (# 319:10 Unique 2.82, 3.15 A)
&rst
ixpk= 319, nxpk= 10, iat= 227, 352, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 63 GLU HA 64 ARG HN 2.80 (# 324:10 Unique 2.32, 2.41 A)
&rst
ixpk= 324, nxpk= 10, iat= 943, 956, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 64 ARG HA 64 ARG HN 3.50 (# 325:10 Unique 2.90, 2.95 A)
&rst
ixpk= 325, nxpk= 10, iat= 958, 956, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 67 ASP HB- 64 ARG HN 4.50 (# 326:10 Unique 3.03, 3.87 A)
&rst
ixpk= 326, nxpk= 10, iat= -1, 956, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1018,1019,
&end
#
# 63 GLU HG+ 64 ARG HN 4.50 (# 327:10 Unique 2.51, 4.49 A)
&rst
ixpk= 327, nxpk= 10, iat= -1, 956, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 948, 949,
&end
#
# 0 AMB 10-2:328 64 ARG HN 3.50 (# 328:10 Single Ambig)
&rst
ixpk= 328, nxpk= 10, iat= -1, 956, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 945, 946, 948, 949,
&end
#
# 64 ARG HG+ 64 ARG HN 2.80 (# 329:10 Unique 2.32, 3.33 A)
&rst
ixpk= 329, nxpk= 10, iat= -1, 956, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 963, 964,
&end
#
# 64 ARG HG- 64 ARG HN 3.50 (# 330:10 Unique 2.32, 3.33 A)
&rst
ixpk= 330, nxpk= 10, iat= -1, 956, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 963, 964,
&end
#
# 84 TYR HN 81 ASP HN 5.50 (# 331:10 Unique 4.75, 5.46 A)
&rst
ixpk= 331, nxpk= 10, iat=1257,1213, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 80 LEU HB+ 81 ASP HN 4.50 (# 332:10 Unique 2.62, 3.46 A)
&rst
ixpk= 332, nxpk= 10, iat= -1,1213, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1198,1199,
&end
#
# 79 SER HA 81 ASP HN 5.50 (# 333:10 Unique 3.27, 4.13 A)
&rst
ixpk= 333, nxpk= 10, iat=1185,1213, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:334 81 ASP HN 5.50 (# 334:10 Single Ambig)
&rst
ixpk= 334, nxpk= 10, iat= -1,1213, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1203,1204,1205,1207,1208,1209,1203,1204,1205,1207,
1208,1209,
&end
#
# 112 ASN HB+ 112 ASN HN 7.00 (# 335:10 Unique 2.10, 2.65 A)
&rst
ixpk= 335, nxpk= 10, iat= -1,1721, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1725,1726,
&end
#
# 111 ARG HA 112 ASN HN 3.50 (# 336:10 Unique 3.55, 3.57 A)
&rst
ixpk= 336, nxpk= 10, iat=1699,1721, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 124 LYS HA 125 SER HN 3.50 (# 345:10 Unique 3.21, 3.46 A)
&rst
ixpk= 345, nxpk= 10, iat=1918,1938, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 125 SER HA 125 SER HN 3.50 (# 346:10 Unique 2.68, 2.83 A)
&rst
ixpk= 346, nxpk= 10, iat=1940,1938, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 124 LYS HB- 125 SER HN 4.50 (# 347:10 Unique 3.10, 3.87 A)
&rst
ixpk= 347, nxpk= 10, iat= -1,1938, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1920,1921,
&end
#
# 124 LYS HB+ 125 SER HN 4.50 (# 348:10 Unique 3.10, 3.87 A)
&rst
ixpk= 348, nxpk= 10, iat= -1,1938, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1920,1921,
&end
#
# 124 LYS HN 125 SER HN 5.50 (# 349:10 Unique 1.77, 1.86 A)
&rst
ixpk= 349, nxpk= 10, iat=1916,1938, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 125 SER HB+ 125 SER HN 3.50 (# 351:10 Unique 2.35, 3.08 A)
&rst
ixpk= 351, nxpk= 10, iat= -1,1938, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1942,1943,
&end
#
# 0 AMB 10-2:352 125 SER HN 4.50 (# 352:10 Single Ambig)
&rst
ixpk= 352, nxpk= 10, iat= -1,1938, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1923,1924,1923,1924,
&end
#
# 121 ARG HE 81 ASP HN 5.50 (# 355:10 Unique 2.84, 5.87 A)
&rst
ixpk= 355, nxpk= 10, iat=1877,1213, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 80 LEU HN 81 ASP HN 3.50 (# 356:10 Unique 1.94, 2.58 A)
&rst
ixpk= 356, nxpk= 10, iat=1194,1213, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 81 ASP HA 81 ASP HN 3.50 (# 357:10 Unique 2.79, 2.84 A)
&rst
ixpk= 357, nxpk= 10, iat=1215,1213, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:359 81 ASP HN 3.50 (# 359:10 Single Ambig)
&rst
ixpk= 359, nxpk= 10, iat= -1,1213, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1196,1227,
&end
#
# 81 ASP HB- 81 ASP HN 2.80 (# 360:10 Unique 2.16, 2.67 A)
&rst
ixpk= 360, nxpk= 10, iat= -1,1213, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1217,1218,
&end
#
# 81 ASP HB+ 81 ASP HN 3.50 (# 361:10 Unique 2.16, 2.67 A)
&rst
ixpk= 361, nxpk= 10, iat= -1,1213, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1217,1218,
&end
#
# 111 ARG HB+ 111 ARG HN 7.00 (# 364:10 Unique 2.42, 2.60 A)
&rst
ixpk= 364, nxpk= 10, iat= -1,1697, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1701,1702,
&end
#
# 118 THR HN 119 GLN HN 3.50 (# 368:10 Unique 2.57, 2.68 A)
&rst
ixpk= 368, nxpk= 10, iat=1814,1828, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:369 119 GLN HN 3.50 (# 369:10 Single Ambig)
&rst
ixpk= 369, nxpk= 10, iat= -1,1828, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1818,1780,
&end
#
# 119 GLN HA 119 GLN HN 3.50 (# 370:10 Unique 2.80, 2.85 A)
&rst
ixpk= 370, nxpk= 10, iat=1830,1828, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 119 GLN HG- 119 GLN HN 3.50 (# 371:10 Unique 2.36, 3.17 A)
&rst
ixpk= 371, nxpk= 10, iat= -1,1828, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1835,1836,
&end
#
# 119 GLN HB- 119 GLN HN 2.80 (# 372:10 Unique 1.95, 2.97 A)
&rst
ixpk= 372, nxpk= 10, iat= -1,1828, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1832,1833,
&end
#
# 119 GLN HB+ 119 GLN HN 2.80 (# 373:10 Unique 1.95, 2.97 A)
&rst
ixpk= 373, nxpk= 10, iat= -1,1828, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1832,1833,
&end
#
# 0 AMB 10-2:374 119 GLN HN 4.50 (# 374:10 Single Ambig)
&rst
ixpk= 374, nxpk= 10, iat= -1,1828, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1852,1804,1805,1806,1808,1809,1810,1868,1869,
&end
#
# 0 AMB 10-2:375 125 SER HN 5.50 (# 375:10 Single Ambig)
&rst
ixpk= 375, nxpk= 10, iat= -1,1938, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1888,1877,
&end
#
# 120 LEU HN 119 GLN HN 3.50 (# 378:10 Unique 2.62, 2.73 A)
&rst
ixpk= 378, nxpk= 10, iat=1845,1828, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 118 THR HA 119 GLN HN 4.50 (# 379:10 Unique 3.59, 3.62 A)
&rst
ixpk= 379, nxpk= 10, iat=1816,1828, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 119 GLN HG+ 119 GLN HN 3.50 (# 380:10 Unique 2.36, 3.17 A)
&rst
ixpk= 380, nxpk= 10, iat= -1,1828, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1835,1836,
&end
#
# 116 PHE HN 119 GLN HN 5.50 (# 381:10 Unique 4.61, 4.74 A)
&rst
ixpk= 381, nxpk= 10, iat=1778,1828, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:382 119 GLN HN 4.50 (# 382:10 Single Ambig)
&rst
ixpk= 382, nxpk= 10, iat= -1,1828, r1= 0.00, r2= 1.80, r3= 6.71, r4= 7.46,
igr1=1820,1821,1822,1804,1805,1806,1808,1809,1810,1868,
1869,
&end
#
# 0 AMB 10-2:383 80 LEU HN 4.50 (# 383:10 Single Ambig)
&rst
ixpk= 383, nxpk= 10, iat= -1,1194, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1217,1218,1874,1875,
&end
#
# 79 SER HB- 80 LEU HN 3.50 (# 386:10 Unique 2.33, 3.48 A)
&rst
ixpk= 386, nxpk= 10, iat= -1,1194, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1187,1188,
&end
#
# 26 LEU HA 14 ILE HN 4.50 (# 388:10 Unique 3.17, 3.62 A)
&rst
ixpk= 388, nxpk= 10, iat= 405, 193, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 13 LEU HB- 14 ILE HN 5.50 (# 389:10 Unique 2.38, 3.67 A)
&rst
ixpk= 389, nxpk= 10, iat= -1, 193, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 178, 179,
&end
#
# 14 ILE HB 14 ILE HN 2.80 (# 390:10 Unique 2.63, 2.79 A)
&rst
ixpk= 390, nxpk= 10, iat= 197, 193, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:391 14 ILE HN 5.50 (# 391:10 Single Ambig)
&rst
ixpk= 391, nxpk= 10, iat= -1, 193, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1804,1805,1806,1808,1809,1810, 407, 408,
&end
#
# 25 ALA MB 14 ILE HN 4.50 (# 392:10 Unique 3.61, 4.81 A)
&rst
ixpk= 392, nxpk= 10, iat= -1, 193, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 397, 398, 399,
&end
#
# 14 ILE HA 14 ILE HN 4.50 (# 393:10 Unique 2.96, 2.97 A)
&rst
ixpk= 393, nxpk= 10, iat= 195, 193, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 81 ASP HN 80 LEU HN 3.50 (# 395:10 Unique 1.94, 2.58 A)
&rst
ixpk= 395, nxpk= 10, iat=1213,1194, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:396 80 LEU HN 3.50 (# 396:10 Single Ambig)
&rst
ixpk= 396, nxpk= 10, iat= -1,1194, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1183,1877,
&end
#
# 78 ASN HA 80 LEU HN 7.00 (# 397:10 Unique 3.37, 4.00 A)
&rst
ixpk= 397, nxpk= 10, iat=1171,1194, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 80 LEU HA 80 LEU HN 3.50 (# 398:10 Unique 2.83, 2.88 A)
&rst
ixpk= 398, nxpk= 10, iat=1196,1194, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 79 SER HA 80 LEU HN 3.50 (# 399:10 Unique 3.46, 3.55 A)
&rst
ixpk= 399, nxpk= 10, iat=1185,1194, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 80 LEU HG 80 LEU HN 4.50 (# 400:10 Unique 2.67, 4.30 A)
&rst
ixpk= 400, nxpk= 10, iat=1201,1194, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 80 LEU HB+ 80 LEU HN 2.80 (# 401:10 Unique 2.33, 2.60 A)
&rst
ixpk= 401, nxpk= 10, iat= -1,1194, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1198,1199,
&end
#
# 0 AMB 10-2:402 80 LEU HN 3.50 (# 402:10 Single Ambig)
&rst
ixpk= 402, nxpk= 10, iat= -1,1194, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1203,1204,1205,1207,1208,1209,1203,1204,1205,1207,
1208,1209,
&end
#
# 25 ALA HN 14 ILE HN 3.50 (# 403:10 Unique 2.55, 2.76 A)
&rst
ixpk= 403, nxpk= 10, iat= 393, 193, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 13 LEU HN 14 ILE HN 5.50 (# 404:10 Unique 4.22, 4.41 A)
&rst
ixpk= 404, nxpk= 10, iat= 174, 193, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 13 LEU HA 14 ILE HN 2.80 (# 405:10 Unique 2.12, 2.23 A)
&rst
ixpk= 405, nxpk= 10, iat= 176, 193, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 14 ILE HG1- 14 ILE HN 3.50 (# 406:10 Unique 2.35, 3.08 A)
&rst
ixpk= 406, nxpk= 10, iat= -1, 193, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 203, 204,
&end
#
# 13 LEU MDX 14 ILE HN 3.50 (# 407:10 Unique 1.96, 4.79 A)
&rst
ixpk= 407, nxpk= 10, iat= -1, 193, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 183, 184, 185, 187, 188, 189,
&end
#
# 14 ILE QD1 14 ILE HN 4.50 (# 408:10 Unique 2.33, 4.61 A)
&rst
ixpk= 408, nxpk= 10, iat= -1, 193, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 206, 207, 208,
&end
#
# 19 LEU HB- 19 LEU HN 3.50 (# 410:10 Unique 2.48, 3.30 A)
&rst
ixpk= 410, nxpk= 10, iat= -1, 290, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 294, 295,
&end
#
# 0 AMB 10-2:411 19 LEU HN 2.80 (# 411:10 Single Ambig)
&rst
ixpk= 411, nxpk= 10, iat= -1, 290, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 297, 294, 295,
&end
#
# 18 ARG HB+ 19 LEU HN 4.50 (# 412:10 Unique 1.81, 2.57 A)
&rst
ixpk= 412, nxpk= 10, iat= -1, 290, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 270, 271,
&end
#
# 0 AMB 10-2:413 25 ALA HN 4.50 (# 413:10 Single Ambig)
&rst
ixpk= 413, nxpk= 10, iat= -1, 393, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1804,1805,1806,1808,1809,1810, 407, 408,
&end
#
# 24 TRP HA 25 ALA HN 2.80 (# 415:10 Unique 2.23, 2.39 A)
&rst
ixpk= 415, nxpk= 10, iat= 371, 393, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 24 TRP HB+ 25 ALA HN 3.50 (# 416:10 Unique 2.22, 3.15 A)
&rst
ixpk= 416, nxpk= 10, iat= -1, 393, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 373, 374,
&end
#
# 24 TRP HB- 25 ALA HN 4.50 (# 417:10 Unique 2.22, 3.15 A)
&rst
ixpk= 417, nxpk= 10, iat= -1, 393, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 373, 374,
&end
#
# 0 AMB 10-2:418 25 ALA HN 4.50 (# 418:10 Single Ambig)
&rst
ixpk= 418, nxpk= 10, iat= -1, 393, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 237, 238, 199, 200, 201,
&end
#
# 24 TRP HA 14 ILE HN 7.00 (# 419:10 Unique 4.26, 4.66 A)
&rst
ixpk= 419, nxpk= 10, iat= 371, 193, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 0 AMB 10-2:421 19 LEU HN 3.50 (# 421:10 Single Ambig)
&rst
ixpk= 421, nxpk= 10, iat= -1, 290, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 292, 675,
&end
#
# 0 AMB 10-2:422 19 LEU HN 4.50 (# 422:10 Single Ambig)
&rst
ixpk= 422, nxpk= 10, iat= -1, 290, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 299, 300, 301, 303, 304, 305, 299, 300, 301, 303,
304, 305,
&end
#
# 14 ILE HN 25 ALA HN 4.50 (# 424:10 Unique 2.55, 2.76 A)
&rst
ixpk= 424, nxpk= 10, iat= 193, 393, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 25 ALA HA 25 ALA HN 5.50 (# 425:10 Unique 2.91, 2.94 A)
&rst
ixpk= 425, nxpk= 10, iat= 395, 393, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 14 ILE HB 25 ALA HN 4.50 (# 426:10 Unique 2.96, 3.15 A)
&rst
ixpk= 426, nxpk= 10, iat= 197, 393, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:427 25 ALA HN 3.50 (# 427:10 Single Ambig)
&rst
ixpk= 427, nxpk= 10, iat= -1, 393, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
igr1= 237, 238,1804,1805,1806,1808,1809,1810, 203, 204,
&end
#
# 25 ALA MB 25 ALA HN 3.50 (# 428:10 Unique 2.76, 3.38 A)
&rst
ixpk= 428, nxpk= 10, iat= -1, 393, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 397, 398, 399,
&end
#
# 0 AMB 10-2:433 87 ARG HN 2.80 (# 433:10 Single Ambig)
&rst
ixpk= 433, nxpk= 10, iat= -1,1309, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1311,1305,
&end
#
# 86 PRO HG+ 87 ARG HN 4.50 (# 434:10 Unique 2.87, 4.28 A)
&rst
ixpk= 434, nxpk= 10, iat= -1,1309, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1299,1300,
&end
#
# 86 PRO HB+ 87 ARG HN 4.50 (# 436:10 Unique 3.30, 4.33 A)
&rst
ixpk= 436, nxpk= 10, iat= -1,1309, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1302,1303,
&end
#
# 87 ARG HB+ 87 ARG HN 2.80 (# 437:10 Unique 2.50, 3.25 A)
&rst
ixpk= 437, nxpk= 10, iat= -1,1309, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1313,1314,
&end
#
# 124 LYS HB+ 87 ARG HN 5.50 (# 438:10 Unique 3.89, 5.10 A)
&rst
ixpk= 438, nxpk= 10, iat= -1,1309, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1920,1921,
&end
#
# 121 ARG HB- 87 ARG HN 7.00 (# 439:10 Unique 5.13, 6.92 A)
&rst
ixpk= 439, nxpk= 10, iat= -1,1309, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1868,1869,
&end
#
# 92 ILE QD1 87 ARG HN 5.50 (# 440:10 Unique 4.60, 5.59 A)
&rst
ixpk= 440, nxpk= 10, iat= -1,1309, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1407,1408,1409,
&end
#
# 0 AMB 10-2:441 103 LYS HN 5.50 (# 441:10 Single Ambig)
&rst
ixpk= 441, nxpk= 10, iat= -1,1558, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 871, 872,1591,1592,1593,
&end
#
# 10 PRO HA 12 ASP HN 4.50 (# 442:10 Unique 3.44, 3.78 A)
&rst
ixpk= 442, nxpk= 10, iat= 151, 162, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 102 GLN HN 103 LYS HN 4.50 (# 443:10 Unique 4.35, 4.52 A)
&rst
ixpk= 443, nxpk= 10, iat=1541,1558, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 103 LYS HA 103 LYS HN 3.50 (# 444:10 Unique 2.93, 2.97 A)
&rst
ixpk= 444, nxpk= 10, iat=1560,1558, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 102 GLN HA 103 LYS HN 2.80 (# 445:10 Unique 2.09, 2.21 A)
&rst
ixpk= 445, nxpk= 10, iat=1543,1558, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 102 GLN HG- 103 LYS HN 4.50 (# 446:10 Unique 3.83, 4.86 A)
&rst
ixpk= 446, nxpk= 10, iat= -1,1558, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1548,1549,
&end
#
# 102 GLN HG+ 103 LYS HN 4.50 (# 447:10 Unique 3.83, 4.86 A)
&rst
ixpk= 447, nxpk= 10, iat= -1,1558, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1548,1549,
&end
#
# 102 GLN HB- 103 LYS HN 3.50 (# 448:10 Unique 2.26, 3.37 A)
&rst
ixpk= 448, nxpk= 10, iat= -1,1558, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1545,1546,
&end
#
# 103 LYS HB- 103 LYS HN 2.80 (# 449:10 Unique 2.30, 3.10 A)
&rst
ixpk= 449, nxpk= 10, iat= -1,1558, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1562,1563,
&end
#
# 0 AMB 10-2:450 103 LYS HN 3.50 (# 450:10 Single Ambig)
&rst
ixpk= 450, nxpk= 10, iat= -1,1558, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1565,1566,1568,1569,
&end
#
# 103 LYS HG+ 103 LYS HN 3.50 (# 451:10 Unique 2.87, 3.62 A)
&rst
ixpk= 451, nxpk= 10, iat= -1,1558, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1565,1566,
&end
#
# 11 GLY HA- 12 ASP HN 3.50 (# 453:10 Unique 3.12, 3.37 A)
&rst
ixpk= 453, nxpk= 10, iat= -1, 162, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 157, 158,
&end
#
# 12 ASP HB- 12 ASP HN 2.80 (# 454:10 Unique 2.32, 2.61 A)
&rst
ixpk= 454, nxpk= 10, iat= -1, 162, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 166, 167,
&end
#
# 12 ASP HB+ 12 ASP HN 3.50 (# 455:10 Unique 2.32, 2.61 A)
&rst
ixpk= 455, nxpk= 10, iat= -1, 162, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 166, 167,
&end
#
# 0 AMB 10-2:456 12 ASP HN 7.00 (# 456:10 Single Ambig)
&rst
ixpk= 456, nxpk= 10, iat= -1, 162, r1= 0.00, r2= 1.80, r3=10.27, r4=11.02,
igr1= 412, 413, 414, 416, 417, 418, 203, 204,1423,1424,
&end
#
# 0 AMB 10-2:457 12 ASP HN 4.50 (# 457:10 Single Ambig)
&rst
ixpk= 457, nxpk= 10, iat= -1, 162, r1= 0.00, r2= 1.80, r3= 6.71, r4= 7.46,
igr1= 412, 413, 414, 416, 417, 418, 112, 113,1426,1427,
1428,
&end
#
# 13 LEU HN 12 ASP HN 7.00 (# 458:10 Unique 4.54, 4.60 A)
&rst
ixpk= 458, nxpk= 10, iat= 174, 162, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 11 GLY HA+ 12 ASP HN 3.50 (# 459:10 Unique 3.12, 3.37 A)
&rst
ixpk= 459, nxpk= 10, iat= -1, 162, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 157, 158,
&end
#
# 104 MET HN 103 LYS HN 4.50 (# 461:10 Unique 4.40, 4.49 A)
&rst
ixpk= 461, nxpk= 10, iat=1580,1558, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:462 12 ASP HN 3.50 (# 462:10 Single Ambig)
&rst
ixpk= 462, nxpk= 10, iat= -1, 162, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 155, 119,
&end
#
# 27 TYR HD 12 ASP HN 5.50 (# 463:10 Unique 3.65, 5.00 A)
&rst
ixpk= 463, nxpk= 10, iat= -1, 162, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 430, 439,
&end
#
# 12 ASP HA 12 ASP HN 3.50 (# 464:10 Unique 2.88, 2.91 A)
&rst
ixpk= 464, nxpk= 10, iat= 164, 162, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:465 12 ASP HN 7.00 (# 465:10 Single Ambig)
&rst
ixpk= 465, nxpk= 10, iat= -1, 162, r1= 0.00, r2= 1.80, r3=10.27, r4=11.02,
igr1= 206, 207, 208, 410, 989, 990, 991, 993, 994, 995,
&end
#
# 72 CYS HN 73 CYS HN 5.50 (# 473:10 Unique 4.17, 4.35 A)
&rst
ixpk= 473, nxpk= 10, iat=1072,1083, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 58 ALA MB 59 GLU HN 3.50 (# 474:10 Unique 2.50, 3.53 A)
&rst
ixpk= 474, nxpk= 10, iat= -1, 864, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 858, 859, 860,
&end
#
# 36 LEU MDX 59 GLU HN 7.00 (# 475:10 Unique 2.07, 4.44 A)
&rst
ixpk= 475, nxpk= 10, iat= -1, 864, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 570, 571, 572, 574, 575, 576,
&end
#
# 59 GLU HA 59 GLU HN 4.50 (# 476:10 Unique 2.91, 2.94 A)
&rst
ixpk= 476, nxpk= 10, iat= 866, 864, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 59 GLU HB+ 59 GLU HN 2.80 (# 477:10 Unique 2.93, 3.17 A)
&rst
ixpk= 477, nxpk= 10, iat= -1, 864, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 868, 869,
&end
#
# 72 CYS HB- 73 CYS HN 3.50 (# 481:10 Unique 2.28, 3.70 A)
&rst
ixpk= 481, nxpk= 10, iat= -1,1083, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1076,1077,
&end
#
# 58 ALA HA 59 GLU HN 2.80 (# 483:10 Unique 2.35, 2.41 A)
&rst
ixpk= 483, nxpk= 10, iat= 856, 864, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 32 TYR HD 32 TYR HN 3.50 (# 484:10 Unique 3.32, 4.36 A)
&rst
ixpk= 484, nxpk= 10, iat= -1, 488, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 496, 505,
&end
#
# 32 TYR HB+ 32 TYR HN 3.50 (# 485:10 Unique 2.68, 3.27 A)
&rst
ixpk= 485, nxpk= 10, iat= -1, 488, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 492, 493,
&end
#
# 0 AMB 10-2:486 32 TYR HN 5.50 (# 486:10 Single Ambig)
&rst
ixpk= 486, nxpk= 10, iat= -1, 488, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 515, 516, 517, 519, 520, 521, 449, 450, 451,
&end
#
# 0 AMB 10-2:488 73 CYS HN 2.80 (# 488:10 Single Ambig)
&rst
ixpk= 488, nxpk= 10, iat= -1,1083, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1074,1085,
&end
#
# 0 AMB 10-2:489 73 CYS HN 2.80 (# 489:10 Single Ambig)
&rst
ixpk= 489, nxpk= 10, iat= -1,1083, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1076,1077, 250, 251,1087,1088,
&end
#
# 0 AMB 10-2:490 0 AMB 10-1:490 4.50 (# 490:10 Double Ambig)
&rst
ixpk= 490, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.99, r4= 7.74,
igr1= 871, 872, 871, 872,1591,1592,1593,
igr2=1541, 864,
&end
#
# 0 AMB 10-2:491 0 AMB 10-1:491 4.50 (# 491:10 Double Ambig)
&rst
ixpk= 491, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 879, 854,
igr2=1541, 864,
&end
#
# 59 GLU HA 59 GLU HN 5.50 (# 493:10 Unique 2.91, 2.94 A)
&rst
ixpk= 493, nxpk= 10, iat= 866, 864, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 103 LYS HN 102 GLN HN 5.50 (# 494:10 Unique 4.35, 4.52 A)
&rst
ixpk= 494, nxpk= 10, iat=1558,1541, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 31 GLY HN 32 TYR HN 3.50 (# 496:10 Unique 1.84, 1.94 A)
&rst
ixpk= 496, nxpk= 10, iat= 481, 488, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 29 GLY HN 32 TYR HN 4.50 (# 497:10 Unique 3.05, 3.12 A)
&rst
ixpk= 497, nxpk= 10, iat= 462, 488, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 32 TYR HA 32 TYR HN 3.50 (# 499:10 Unique 2.96, 2.97 A)
&rst
ixpk= 499, nxpk= 10, iat= 490, 488, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 32 TYR HB- 32 TYR HN 3.50 (# 500:10 Unique 2.68, 3.27 A)
&rst
ixpk= 500, nxpk= 10, iat= -1, 488, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 492, 493,
&end
#
# 28 ILE HG1- 32 TYR HN 5.50 (# 501:10 Unique 3.99, 4.77 A)
&rst
ixpk= 501, nxpk= 10, iat= -1, 488, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 453, 454,
&end
#
# 31 GLY HA+ 32 TYR HN 4.50 (# 502:10 Unique 3.01, 3.39 A)
&rst
ixpk= 502, nxpk= 10, iat= -1, 488, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 483, 484,
&end
#
# 31 GLY HA- 32 TYR HN 3.50 (# 503:10 Unique 3.01, 3.39 A)
&rst
ixpk= 503, nxpk= 10, iat= -1, 488, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 483, 484,
&end
#
# 0 AMB 10-2:504 32 TYR HN 5.50 (# 504:10 Single Ambig)
&rst
ixpk= 504, nxpk= 10, iat= -1, 488, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 453, 454, 109, 110,
&end
#
# 36 LEU MDX 104 MET HN 5.50 (# 505:10 Unique 3.62, 5.55 A)
&rst
ixpk= 505, nxpk= 10, iat= -1,1580, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 570, 571, 572, 574, 575, 576,
&end
#
# 104 MET HA 104 MET HN 3.50 (# 506:10 Unique 2.91, 2.95 A)
&rst
ixpk= 506, nxpk= 10, iat=1582,1580, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 101 GLY HN 102 GLN HN 3.50 (# 507:10 Unique 2.52, 2.66 A)
&rst
ixpk= 507, nxpk= 10, iat=1534,1541, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 103 LYS HN 102 GLN HN 4.50 (# 508:10 Unique 4.35, 4.52 A)
&rst
ixpk= 508, nxpk= 10, iat=1558,1541, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 102 GLN HA 102 GLN HN 3.50 (# 509:10 Unique 2.88, 2.91 A)
&rst
ixpk= 509, nxpk= 10, iat=1543,1541, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 101 GLY HA+ 102 GLN HN 3.50 (# 510:10 Unique 3.14, 3.39 A)
&rst
ixpk= 510, nxpk= 10, iat= -1,1541, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1536,1537,
&end
#
# 100 VAL HA 102 GLN HN 3.50 (# 511:10 Unique 3.34, 3.45 A)
&rst
ixpk= 511, nxpk= 10, iat=1520,1541, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 102 GLN HG- 102 GLN HN 3.50 (# 512:10 Unique 2.49, 3.06 A)
&rst
ixpk= 512, nxpk= 10, iat= -1,1541, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1548,1549,
&end
#
# 0 AMB 10-2:513 102 GLN HN 2.80 (# 513:10 Single Ambig)
&rst
ixpk= 513, nxpk= 10, iat= -1,1541, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1548,1549, 883,
&end
#
# 102 GLN HB- 102 GLN HN 3.50 (# 514:10 Unique 2.37, 3.19 A)
&rst
ixpk= 514, nxpk= 10, iat= -1,1541, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1545,1546,
&end
#
# 60 VAL MGX 102 GLN HN 4.50 (# 515:10 Unique 4.00, 4.96 A)
&rst
ixpk= 515, nxpk= 10, iat= -1,1541, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 885, 886, 887, 889, 890, 891,
&end
#
# 60 VAL MGY 102 GLN HN 3.50 (# 516:10 Unique 4.00, 4.96 A)
&rst
ixpk= 516, nxpk= 10, iat= -1,1541, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 885, 886, 887, 889, 890, 891,
&end
#
# 0 AMB 10-2:519 104 MET HN 5.50 (# 519:10 Single Ambig)
&rst
ixpk= 519, nxpk= 10, iat= -1,1580, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1565,1566,1604,1605,
&end
#
# 104 MET HG- 104 MET HN 5.50 (# 520:10 Unique 2.97, 3.64 A)
&rst
ixpk= 520, nxpk= 10, iat= -1,1580, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1587,1588,
&end
#
# 104 MET HG+ 104 MET HN 5.50 (# 521:10 Unique 2.97, 3.64 A)
&rst
ixpk= 521, nxpk= 10, iat= -1,1580, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1587,1588,
&end
#
# 0 AMB 10-2:522 104 MET HN 5.50 (# 522:10 Single Ambig)
&rst
ixpk= 522, nxpk= 10, iat= -1,1580, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1597,1558,
&end
#
# 103 LYS HA 104 MET HN 2.80 (# 523:10 Unique 2.23, 2.33 A)
&rst
ixpk= 523, nxpk= 10, iat=1560,1580, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 59 GLU HA 104 MET HN 4.50 (# 524:10 Unique 3.43, 3.63 A)
&rst
ixpk= 524, nxpk= 10, iat= 866,1580, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 104 MET HB- 104 MET HN 5.50 (# 525:10 Unique 2.86, 3.45 A)
&rst
ixpk= 525, nxpk= 10, iat= -1,1580, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1584,1585,
&end
#
# 0 AMB 10-2:526 104 MET HN 2.80 (# 526:10 Single Ambig)
&rst
ixpk= 526, nxpk= 10, iat= -1,1580, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1562,1563,1584,1585,
&end
#
# 58 ALA MB 104 MET HN 5.50 (# 527:10 Unique 2.30, 3.71 A)
&rst
ixpk= 527, nxpk= 10, iat= -1,1580, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 858, 859, 860,
&end
#
# 84 TYR HN 85 GLN HN 4.50 (# 529:10 Unique 2.01, 2.55 A)
&rst
ixpk= 529, nxpk= 10, iat=1257,1278, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:530 85 GLN HN 7.00 (# 530:10 Single Ambig)
&rst
ixpk= 530, nxpk= 10, iat= -1,1278, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1267,1272,1896,1905,
&end
#
# 85 GLN HA 85 GLN HN 3.50 (# 531:10 Unique 2.79, 2.92 A)
&rst
ixpk= 531, nxpk= 10, iat=1280,1278, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 84 TYR HB- 85 GLN HN 3.50 (# 533:10 Unique 1.79, 3.03 A)
&rst
ixpk= 533, nxpk= 10, iat= -1,1278, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1261,1262,
&end
#
# 85 GLN HG+ 85 GLN HN 4.50 (# 534:10 Unique 3.00, 4.41 A)
&rst
ixpk= 534, nxpk= 10, iat= -1,1278, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1285,1286,
&end
#
# 0 AMB 10-2:535 85 GLN HN 2.80 (# 535:10 Single Ambig)
&rst
ixpk= 535, nxpk= 10, iat= -1,1278, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1261,1262,1282,1283,
&end
#
# 0 AMB 10-2:538 68 VAL HN 5.50 (# 538:10 Single Ambig)
&rst
ixpk= 538, nxpk= 10, iat= -1,1026, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 960, 961, 984, 985,
&end
#
# 67 ASP HA 68 VAL HN 4.50 (# 539:10 Unique 3.56, 3.58 A)
&rst
ixpk= 539, nxpk= 10, iat=1016,1026, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:540 68 VAL HN 4.50 (# 540:10 Single Ambig)
&rst
ixpk= 540, nxpk= 10, iat= -1,1026, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 960, 961,1046,
&end
#
# 68 VAL HB 68 VAL HN 3.50 (# 541:10 Unique 2.35, 2.52 A)
&rst
ixpk= 541, nxpk= 10, iat=1030,1026, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 89 VAL HA 91 VAL HN 5.50 (# 542:10 Unique 4.21, 4.41 A)
&rst
ixpk= 542, nxpk= 10, iat=1349,1378, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:547 85 GLN HN 5.50 (# 547:10 Single Ambig)
&rst
ixpk= 547, nxpk= 10, iat= -1,1278, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1296,1297,1244,
&end
#
# 0 AMB 10-2:549 85 GLN HN 5.50 (# 549:10 Single Ambig)
&rst
ixpk= 549, nxpk= 10, iat= -1,1278, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1296,1297,1334,1335,
&end
#
# 33 VAL HA 28 ILE HN 4.50 (# 550:10 Unique 2.36, 2.48 A)
&rst
ixpk= 550, nxpk= 10, iat= 511, 443, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 26 LEU HA 28 ILE HN 7.00 (# 551:10 Unique 6.07, 6.17 A)
&rst
ixpk= 551, nxpk= 10, iat= 405, 443, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 0 AMB 10-2:552 28 ILE HN 2.80 (# 552:10 Single Ambig)
&rst
ixpk= 552, nxpk= 10, iat= -1, 443, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 449, 450, 451, 515, 516, 517, 519, 520, 521,
&end
#
# 28 ILE HG1- 28 ILE HN 4.50 (# 553:10 Unique 2.64, 2.81 A)
&rst
ixpk= 553, nxpk= 10, iat= -1, 443, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 453, 454,
&end
#
# 0 AMB 10-2:554 68 VAL HN 5.50 (# 554:10 Single Ambig)
&rst
ixpk= 554, nxpk= 10, iat= -1,1026, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 948, 949, 945, 946,1006,1007,
&end
#
# 69 VAL HN 68 VAL HN 3.50 (# 555:10 Unique 2.77, 2.84 A)
&rst
ixpk= 555, nxpk= 10, iat=1042,1026, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 67 ASP HN 68 VAL HN 2.80 (# 556:10 Unique 2.35, 2.40 A)
&rst
ixpk= 556, nxpk= 10, iat=1014,1026, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 68 VAL HA 68 VAL HN 2.80 (# 557:10 Unique 2.83, 2.86 A)
&rst
ixpk= 557, nxpk= 10, iat=1028,1026, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:558 68 VAL HN 3.50 (# 558:10 Single Ambig)
&rst
ixpk= 558, nxpk= 10, iat= -1,1026, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1018,1019,1018,1019,
&end
#
# 0 AMB 10-2:559 68 VAL HN 4.50 (# 559:10 Single Ambig)
&rst
ixpk= 559, nxpk= 10, iat= -1,1026, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1048,1049,1050,1052,1053,1054, 989, 990, 991, 993,
994, 995,
&end
#
# 0 AMB 10-2:560 68 VAL HN 2.80 (# 560:10 Single Ambig)
&rst
ixpk= 560, nxpk= 10, iat= -1,1026, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
1037,1038,
&end
#
# 88 PRO HB+ 91 VAL HN 3.50 (# 561:10 Unique 3.07, 4.12 A)
&rst
ixpk= 561, nxpk= 10, iat= -1,1378, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1340,1341,
&end
#
# 90 GLU HN 91 VAL HN 3.50 (# 562:10 Unique 2.57, 2.68 A)
&rst
ixpk= 562, nxpk= 10, iat=1363,1378, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 92 ILE HN 91 VAL HN 3.50 (# 563:10 Unique 2.44, 2.53 A)
&rst
ixpk= 563, nxpk= 10, iat=1394,1378, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 90 GLU HA 91 VAL HN 4.50 (# 564:10 Unique 3.48, 3.51 A)
&rst
ixpk= 564, nxpk= 10, iat=1365,1378, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 91 VAL HA 91 VAL HN 3.50 (# 565:10 Unique 2.87, 2.89 A)
&rst
ixpk= 565, nxpk= 10, iat=1380,1378, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 88 PRO HD- 91 VAL HN 5.50 (# 566:10 Unique 5.37, 6.13 A)
&rst
ixpk= 566, nxpk= 10, iat= -1,1378, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1334,1335,
&end
#
# 88 PRO HB- 91 VAL HN 5.50 (# 567:10 Unique 3.07, 4.12 A)
&rst
ixpk= 567, nxpk= 10, iat= -1,1378, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1340,1341,
&end
#
# 90 GLU HG+ 91 VAL HN 4.50 (# 568:10 Unique 2.43, 4.14 A)
&rst
ixpk= 568, nxpk= 10, iat= -1,1378, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1370,1371,
&end
#
# 91 VAL HB 91 VAL HN 2.80 (# 569:10 Unique 2.34, 2.48 A)
&rst
ixpk= 569, nxpk= 10, iat=1382,1378, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 90 GLU HB- 91 VAL HN 3.50 (# 570:10 Unique 2.73, 3.57 A)
&rst
ixpk= 570, nxpk= 10, iat= -1,1378, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1367,1368,
&end
#
# 91 VAL MGX 91 VAL HN 2.80 (# 571:10 Unique 2.02, 3.74 A)
&rst
ixpk= 571, nxpk= 10, iat= -1,1378, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1384,1385,1386,1388,1389,1390,
&end
#
# 91 VAL MGY 91 VAL HN 3.50 (# 572:10 Unique 2.02, 3.74 A)
&rst
ixpk= 572, nxpk= 10, iat= -1,1378, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1384,1385,1386,1388,1389,1390,
&end
#
# 12 ASP HA 13 LEU HN 2.80 (# 573:10 Unique 2.33, 2.44 A)
&rst
ixpk= 573, nxpk= 10, iat= 164, 174, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 13 LEU HB- 13 LEU HN 3.50 (# 574:10 Unique 2.32, 3.17 A)
&rst
ixpk= 574, nxpk= 10, iat= -1, 174, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 178, 179,
&end
#
# 12 ASP HB- 13 LEU HN 5.50 (# 575:10 Unique 3.09, 3.67 A)
&rst
ixpk= 575, nxpk= 10, iat= -1, 174, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 166, 167,
&end
#
# 27 TYR HA 28 ILE HN 3.50 (# 576:10 Unique 2.19, 2.21 A)
&rst
ixpk= 576, nxpk= 10, iat= 424, 443, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 13 LEU HG 13 LEU HN 4.50 (# 579:10 Unique 2.12, 3.49 A)
&rst
ixpk= 579, nxpk= 10, iat= 181, 174, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 14 ILE HN 13 LEU HN 5.50 (# 580:10 Unique 4.22, 4.41 A)
&rst
ixpk= 580, nxpk= 10, iat= 193, 174, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 76 VAL MGY 13 LEU HN 3.50 (# 582:10 Unique 3.13, 5.54 A)
&rst
ixpk= 582, nxpk= 10, iat= -1, 174, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1145,1146,1147,1149,1150,1151,
&end
#
# 0 AMB 10-2:583 13 LEU HN 7.00 (# 583:10 Single Ambig)
&rst
ixpk= 583, nxpk= 10, iat= -1, 174, r1= 0.00, r2= 1.80, r3= 9.68, r4=10.43,
igr1= 112, 113,1316,1317, 197,1313,1314,
&end
#
# 13 LEU MDY 13 LEU HN 4.50 (# 584:10 Unique 1.92, 4.74 A)
&rst
ixpk= 584, nxpk= 10, iat= -1, 174, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 183, 184, 185, 187, 188, 189,
&end
#
# 33 VAL HB 34 ILE HN 3.50 (# 586:10 Unique 2.37, 2.57 A)
&rst
ixpk= 586, nxpk= 10, iat= 513, 525, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 34 ILE HB 34 ILE HN 3.50 (# 587:10 Unique 2.52, 2.59 A)
&rst
ixpk= 587, nxpk= 10, iat= 529, 525, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 28 ILE HG1- 34 ILE HN 5.50 (# 588:10 Unique 3.36, 4.38 A)
&rst
ixpk= 588, nxpk= 10, iat= -1, 525, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 453, 454,
&end
#
# 114 GLU HN 115 HIS HN 4.50 (# 590:10 Unique 2.57, 2.71 A)
&rst
ixpk= 590, nxpk= 10, iat=1746,1761, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 115 HIS HA 115 HIS HN 3.50 (# 592:10 Unique 2.81, 2.84 A)
&rst
ixpk= 592, nxpk= 10, iat=1763,1761, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 114 GLU HA 115 HIS HN 5.50 (# 593:10 Unique 3.57, 3.60 A)
&rst
ixpk= 593, nxpk= 10, iat=1748,1761, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 115 HIS HB- 115 HIS HN 3.50 (# 594:10 Unique 2.33, 2.59 A)
&rst
ixpk= 594, nxpk= 10, iat= -1,1761, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1765,1766,
&end
#
# 114 GLU HB- 115 HIS HN 3.50 (# 595:10 Unique 2.55, 3.22 A)
&rst
ixpk= 595, nxpk= 10, iat= -1,1761, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1750,1751,
&end
#
# 114 GLU HB+ 115 HIS HN 4.50 (# 596:10 Unique 2.55, 3.22 A)
&rst
ixpk= 596, nxpk= 10, iat= -1,1761, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1750,1751,
&end
#
# 0 AMB 10-2:599 0 AMB 10-1:599 4.50 (# 599:10 Double Ambig)
&rst
ixpk= 599, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 403,1155,
igr2= 525, 174,
&end
#
# 33 VAL HA 34 ILE HN 2.80 (# 600:10 Unique 2.34, 2.40 A)
&rst
ixpk= 600, nxpk= 10, iat= 511, 525, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:601 34 ILE HN 3.50 (# 601:10 Single Ambig)
&rst
ixpk= 601, nxpk= 10, iat= -1, 525, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1= 535, 536, 397, 398, 399,
&end
#
# 0 AMB 10-2:602 34 ILE HN 3.50 (# 602:10 Single Ambig)
&rst
ixpk= 602, nxpk= 10, iat= -1, 525, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 449, 450, 451, 515, 516, 517, 519, 520, 521,
&end
#
# 33 VAL MGY 34 ILE HN 4.50 (# 603:10 Unique 3.06, 4.45 A)
&rst
ixpk= 603, nxpk= 10, iat= -1, 525, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 515, 516, 517, 519, 520, 521,
&end
#
# 27 TYR HA 34 ILE HN 5.50 (# 604:10 Unique 3.82, 3.95 A)
&rst
ixpk= 604, nxpk= 10, iat= 424, 525, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 84 TYR HE 84 TYR HN 5.50 (# 605:10 Unique 4.52, 5.81 A)
&rst
ixpk= 605, nxpk= 10, iat= -1,1257, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1267,1272,
&end
#
# 116 PHE HN 115 HIS HN 3.50 (# 606:10 Unique 2.61, 2.68 A)
&rst
ixpk= 606, nxpk= 10, iat=1778,1761, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 34 ILE QG2 100 VAL HN 7.00 (# 607:10 Unique 4.18, 5.10 A)
&rst
ixpk= 607, nxpk= 10, iat= -1,1518, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1= 531, 532, 533,
&end
#
# 85 GLN HN 84 TYR HN 4.50 (# 609:10 Unique 2.01, 2.55 A)
&rst
ixpk= 609, nxpk= 10, iat=1278,1257, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 81 ASP HA 84 TYR HN 4.50 (# 610:10 Unique 3.27, 3.65 A)
&rst
ixpk= 610, nxpk= 10, iat=1215,1257, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 84 TYR HB- 84 TYR HN 3.50 (# 612:10 Unique 2.34, 3.15 A)
&rst
ixpk= 612, nxpk= 10, iat= -1,1257, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1261,1262,
&end
#
# 84 TYR HB+ 84 TYR HN 3.50 (# 613:10 Unique 2.34, 3.15 A)
&rst
ixpk= 613, nxpk= 10, iat= -1,1257, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1261,1262,
&end
#
# 83 GLU HB+ 84 TYR HN 3.50 (# 614:10 Unique 2.70, 3.78 A)
&rst
ixpk= 614, nxpk= 10, iat= -1,1257, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1246,1247,
&end
#
# 0 AMB 10-2:615 74 TYR HN 4.50 (# 615:10 Single Ambig)
&rst
ixpk= 615, nxpk= 10, iat= -1,1094, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1115,1083,
&end
#
# 0 AMB 10-2:616 74 TYR HN 5.50 (# 616:10 Single Ambig)
&rst
ixpk= 616, nxpk= 10, iat= -1,1094, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1048,1049,1050,1052,1053,1054, 989, 990, 991, 993,
994, 995,
&end
#
# 74 TYR HB- 74 TYR HN 4.50 (# 618:10 Unique 3.14, 3.58 A)
&rst
ixpk= 618, nxpk= 10, iat= -1,1094, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1098,1099,
&end
#
# 101 GLY HN 100 VAL HN 4.50 (# 620:10 Unique 4.50, 4.56 A)
&rst
ixpk= 620, nxpk= 10, iat=1534,1518, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 98 GLU HA 100 VAL HN 4.50 (# 622:10 Unique 4.00, 4.28 A)
&rst
ixpk= 622, nxpk= 10, iat=1488,1518, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 100 VAL HA 100 VAL HN 3.50 (# 623:10 Unique 2.78, 2.81 A)
&rst
ixpk= 623, nxpk= 10, iat=1520,1518, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 100 VAL HB 100 VAL HN 2.80 (# 624:10 Unique 2.33, 2.41 A)
&rst
ixpk= 624, nxpk= 10, iat=1522,1518, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:625 100 VAL HN 7.00 (# 625:10 Single Ambig)
&rst
ixpk= 625, nxpk= 10, iat= -1,1518, r1= 0.00, r2= 1.80, r3=10.10, r4=10.85,
igr1=1591,1592,1593, 871, 872,1832,1833, 407, 408,
&end
#
# 0 AMB 10-2:626 100 VAL HN 7.00 (# 626:10 Single Ambig)
&rst
ixpk= 626, nxpk= 10, iat= -1,1518, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
igr1= 924, 925, 902, 903, 407, 408, 453, 454,
&end
#
# 100 VAL MGX 100 VAL HN 2.80 (# 627:10 Unique 2.04, 3.89 A)
&rst
ixpk= 627, nxpk= 10, iat= -1,1518, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1524,1525,1526,1528,1529,1530,
&end
#
# 0 AMB 10-2:628 100 VAL HN 3.50 (# 628:10 Single Ambig)
&rst
ixpk= 628, nxpk= 10, iat= -1,1518, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 885, 886, 887, 889, 890, 891, 538, 539, 540,
&end
#
# 0 AMB 10-2:629 100 VAL HN 5.50 (# 629:10 Single Ambig)
&rst
ixpk= 629, nxpk= 10, iat= -1,1518, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1486,1553,1554,
&end
#
# 99 MET HN 100 VAL HN 2.80 (# 630:10 Unique 2.60, 2.66 A)
&rst
ixpk= 630, nxpk= 10, iat=1501,1518, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 99 MET HA 100 VAL HN 3.50 (# 631:10 Unique 3.50, 3.56 A)
&rst
ixpk= 631, nxpk= 10, iat=1503,1518, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 97 LYS HA 100 VAL HN 4.50 (# 632:10 Unique 2.90, 3.16 A)
&rst
ixpk= 632, nxpk= 10, iat=1466,1518, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 99 MET HG- 100 VAL HN 7.00 (# 633:10 Unique 4.61, 5.07 A)
&rst
ixpk= 633, nxpk= 10, iat= -1,1518, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1508,1509,
&end
#
# 0 AMB 10-2:634 100 VAL HN 3.50 (# 634:10 Single Ambig)
&rst
ixpk= 634, nxpk= 10, iat= -1,1518, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1505,1506, 883,
&end
#
# 0 AMB 10-2:636 84 TYR HN 4.50 (# 636:10 Single Ambig)
&rst
ixpk= 636, nxpk= 10, iat= -1,1257, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1227,1196,
&end
#
# 83 GLU HN 84 TYR HN 2.80 (# 637:10 Unique 2.33, 2.52 A)
&rst
ixpk= 637, nxpk= 10, iat=1242,1257, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 83 GLU HA 84 TYR HN 3.50 (# 638:10 Unique 3.31, 3.45 A)
&rst
ixpk= 638, nxpk= 10, iat=1244,1257, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:639 84 TYR HN 4.50 (# 639:10 Single Ambig)
&rst
ixpk= 639, nxpk= 10, iat= -1,1257, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1249,1250,1316,1317,1313,1314,
&end
#
# 0 AMB 10-2:640 84 TYR HN 7.00 (# 640:10 Single Ambig)
&rst
ixpk= 640, nxpk= 10, iat= -1,1257, r1= 0.00, r2= 1.80, r3= 9.15, r4= 9.90,
igr1=1198,1199,1820,1821,1822,
&end
#
# 74 TYR HD 74 TYR HN 3.50 (# 641:10 Unique 2.49, 3.71 A)
&rst
ixpk= 641, nxpk= 10, iat= -1,1094, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1102,1111,
&end
#
# 74 TYR HA 74 TYR HN 3.50 (# 642:10 Unique 2.91, 2.95 A)
&rst
ixpk= 642, nxpk= 10, iat=1096,1094, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 73 CYS HA 74 TYR HN 2.80 (# 643:10 Unique 2.34, 2.41 A)
&rst
ixpk= 643, nxpk= 10, iat=1085,1094, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 73 CYS HB+ 74 TYR HN 2.80 (# 644:10 Unique 2.56, 3.29 A)
&rst
ixpk= 644, nxpk= 10, iat= -1,1094, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1087,1088,
&end
#
# 74 TYR HH 74 TYR HN 7.00 (# 646:10 Unique 6.04, 6.37 A)
&rst
ixpk= 646, nxpk= 10, iat=1107,1094, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 84 TYR HN 83 GLU HN 2.80 (# 649:10 Unique 2.33, 2.52 A)
&rst
ixpk= 649, nxpk= 10, iat=1257,1242, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:651 83 GLU HN 3.50 (# 651:10 Single Ambig)
&rst
ixpk= 651, nxpk= 10, iat= -1,1242, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1196,1227,
&end
#
# 83 GLU HA 83 GLU HN 3.50 (# 652:10 Unique 2.87, 2.92 A)
&rst
ixpk= 652, nxpk= 10, iat=1244,1242, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 82 HIS HB+ 83 GLU HN 4.50 (# 653:10 Unique 2.93, 3.68 A)
&rst
ixpk= 653, nxpk= 10, iat= -1,1242, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1229,1230,
&end
#
# 83 GLU HG+ 83 GLU HN 4.50 (# 655:10 Unique 2.18, 3.03 A)
&rst
ixpk= 655, nxpk= 10, iat= -1,1242, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1249,1250,
&end
#
# 83 GLU HB+ 83 GLU HN 3.50 (# 656:10 Unique 2.41, 3.07 A)
&rst
ixpk= 656, nxpk= 10, iat= -1,1242, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1246,1247,
&end
#
# 72 CYS HA 72 CYS HN 3.50 (# 658:10 Unique 2.90, 2.97 A)
&rst
ixpk= 658, nxpk= 10, iat=1074,1072, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 71 GLY HA+ 72 CYS HN 3.50 (# 659:10 Unique 2.94, 3.35 A)
&rst
ixpk= 659, nxpk= 10, iat= -1,1072, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1067,1068,
&end
#
# 69 VAL MGY 72 CYS HN 4.50 (# 660:10 Unique 4.63, 5.81 A)
&rst
ixpk= 660, nxpk= 10, iat= -1,1072, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1048,1049,1050,1052,1053,1054,
&end
#
# 72 CYS HB- 72 CYS HN 3.50 (# 663:10 Unique 2.41, 3.18 A)
&rst
ixpk= 663, nxpk= 10, iat= -1,1072, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1076,1077,
&end
#
# 72 CYS HB+ 72 CYS HN 2.80 (# 664:10 Unique 2.41, 3.18 A)
&rst
ixpk= 664, nxpk= 10, iat= -1,1072, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1076,1077,
&end
#
# 16 ILE QG2 72 CYS HN 5.50 (# 665:10 Unique 4.94, 5.39 A)
&rst
ixpk= 665, nxpk= 10, iat= -1,1072, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 233, 234, 235,
&end
#
# 0 AMB 10-2:666 72 CYS HN 5.50 (# 666:10 Single Ambig)
&rst
ixpk= 666, nxpk= 10, iat= -1,1072, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
1037,1038,1048,1049,1050,1052,1053,1054,
&end
#
# 0 AMB 10-2:668 83 GLU HN 5.50 (# 668:10 Single Ambig)
&rst
ixpk= 668, nxpk= 10, iat= -1,1242, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1203,1204,1205,1207,1208,1209,1203,1204,1205,1207,
1208,1209,
&end
#
# 67 ASP HA 67 ASP HN 3.50 (# 671:10 Unique 2.91, 2.93 A)
&rst
ixpk= 671, nxpk= 10, iat=1016,1014, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 66 GLU HN 67 ASP HN 3.50 (# 672:10 Unique 2.59, 2.77 A)
&rst
ixpk= 672, nxpk= 10, iat= 999,1014, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 68 VAL HN 67 ASP HN 2.80 (# 673:10 Unique 2.35, 2.40 A)
&rst
ixpk= 673, nxpk= 10, iat=1026,1014, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 68 VAL HA 67 ASP HN 5.50 (# 675:10 Unique 5.03, 5.08 A)
&rst
ixpk= 675, nxpk= 10, iat=1028,1014, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:676 67 ASP HN 2.80 (# 676:10 Single Ambig)
&rst
ixpk= 676, nxpk= 10, iat= -1,1014, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1018,1019,1018,1019,
&end
#
# 66 GLU HG+ 67 ASP HN 3.50 (# 677:10 Unique 2.45, 3.13 A)
&rst
ixpk= 677, nxpk= 10, iat= -1,1014, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1006,1007,
&end
#
# 66 GLU HB- 67 ASP HN 4.50 (# 678:10 Unique 3.91, 4.26 A)
&rst
ixpk= 678, nxpk= 10, iat= -1,1014, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1003,1004,
&end
#
# 0 AMB 10-2:679 67 ASP HN 2.80 (# 679:10 Single Ambig)
&rst
ixpk= 679, nxpk= 10, iat= -1,1014, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 960, 961, 960, 961,
&end
#
# 0 AMB 10-2:680 67 ASP HN 5.50 (# 680:10 Single Ambig)
&rst
ixpk= 680, nxpk= 10, iat= -1,1014, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1030, 945, 946,
&end
#
# 0 AMB 10-2:681 67 ASP HN 3.50 (# 681:10 Single Ambig)
&rst
ixpk= 681, nxpk= 10, iat= -1,1014, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
1037,1038,1048,1049,1050,1052,1053,1054,
&end
#
# 0 AMB 10-2:688 124 LYS HN 5.50 (# 688:10 Single Ambig)
&rst
ixpk= 688, nxpk= 10, iat= -1,1916, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1874,1875,1892,1893,
&end
#
# 123 GLY HN 124 LYS HN 4.50 (# 689:10 Unique 2.87, 3.08 A)
&rst
ixpk= 689, nxpk= 10, iat=1909,1916, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 124 LYS HA 124 LYS HN 3.50 (# 691:10 Unique 2.88, 2.95 A)
&rst
ixpk= 691, nxpk= 10, iat=1918,1916, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 123 GLY HA- 124 LYS HN 3.50 (# 692:10 Unique 2.51, 3.21 A)
&rst
ixpk= 692, nxpk= 10, iat= -1,1916, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1911,1912,
&end
#
# 123 GLY HA+ 124 LYS HN 3.50 (# 693:10 Unique 2.51, 3.21 A)
&rst
ixpk= 693, nxpk= 10, iat= -1,1916, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1911,1912,
&end
#
# 124 LYS HG- 124 LYS HN 4.50 (# 694:10 Unique 3.38, 4.68 A)
&rst
ixpk= 694, nxpk= 10, iat= -1,1916, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1923,1924,
&end
#
# 0 AMB 10-2:695 124 LYS HN 4.50 (# 695:10 Single Ambig)
&rst
ixpk= 695, nxpk= 10, iat= -1,1916, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1866,1334,1335,
&end
#
# 0 AMB 10-2:696 124 LYS HN 7.00 (# 696:10 Single Ambig)
&rst
ixpk= 696, nxpk= 10, iat= -1,1916, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1=1874,1875,1319,1320,1892,1893,
&end
#
# 0 AMB 10-2:697 124 LYS HN 4.50 (# 697:10 Single Ambig)
&rst
ixpk= 697, nxpk= 10, iat= -1,1916, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1920,1921,1404,1405,
&end
#
# 124 LYS HB+ 124 LYS HN 3.50 (# 700:10 Unique 2.63, 3.11 A)
&rst
ixpk= 700, nxpk= 10, iat= -1,1916, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1920,1921,
&end
#
# 119 GLN HN 120 LEU HN 3.50 (# 706:10 Unique 2.62, 2.73 A)
&rst
ixpk= 706, nxpk= 10, iat=1828,1845, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:708 120 LEU HN 2.80 (# 708:10 Single Ambig)
&rst
ixpk= 708, nxpk= 10, iat= -1,1845, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1800,1847,1830,
&end
#
# 119 GLN HG- 120 LEU HN 7.00 (# 709:10 Unique 2.76, 4.64 A)
&rst
ixpk= 709, nxpk= 10, iat= -1,1845, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1835,1836,
&end
#
# 119 GLN HB- 120 LEU HN 4.50 (# 710:10 Unique 2.78, 3.46 A)
&rst
ixpk= 710, nxpk= 10, iat= -1,1845, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1832,1833,
&end
#
# 120 LEU HB- 120 LEU HN 2.80 (# 711:10 Unique 2.26, 3.01 A)
&rst
ixpk= 711, nxpk= 10, iat= -1,1845, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1849,1850,
&end
#
# 120 LEU HG 120 LEU HN 4.50 (# 712:10 Unique 2.27, 2.51 A)
&rst
ixpk= 712, nxpk= 10, iat=1852,1845, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:713 120 LEU HN 4.50 (# 713:10 Single Ambig)
&rst
ixpk= 713, nxpk= 10, iat= -1,1845, r1= 0.00, r2= 1.80, r3= 6.71, r4= 7.46,
igr1=1868,1869,1804,1805,1806,1808,1809,1810,1820,1821,
1822,
&end
#
# 120 LEU MDX 120 LEU HN 3.50 (# 714:10 Unique 3.63, 4.48 A)
&rst
ixpk= 714, nxpk= 10, iat= -1,1845, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1854,1855,1856,1858,1859,1860,
&end
#
# 120 LEU MDY 120 LEU HN 3.50 (# 715:10 Unique 3.63, 4.48 A)
&rst
ixpk= 715, nxpk= 10, iat= -1,1845, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1854,1855,1856,1858,1859,1860,
&end
#
# 121 ARG HN 120 LEU HN 3.50 (# 716:10 Unique 2.69, 2.79 A)
&rst
ixpk= 716, nxpk= 10, iat=1864,1845, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 122 TYR HA 120 LEU HN 7.00 (# 717:10 Unique 6.48, 6.68 A)
&rst
ixpk= 717, nxpk= 10, iat=1890,1845, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 119 GLN HB+ 120 LEU HN 4.50 (# 718:10 Unique 2.78, 3.46 A)
&rst
ixpk= 718, nxpk= 10, iat= -1,1845, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1832,1833,
&end
#
# 120 LEU HB+ 120 LEU HN 3.50 (# 719:10 Unique 2.26, 3.01 A)
&rst
ixpk= 719, nxpk= 10, iat= -1,1845, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1849,1850,
&end
#
# 77 ASN HD2- 79 SER HN 7.00 (# 720:10 Unique 2.45, 3.76 A)
&rst
ixpk= 720, nxpk= 10, iat= -1,1183, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1164,1165,
&end
#
# 0 AMB 10-2:722 0 AMB 10-1:722 5.50 (# 722:10 Double Ambig)
&rst
ixpk= 722, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 183, 184, 185, 187, 188, 189,1423,1424,
igr2=1183,1443,
&end
#
# 78 ASN HN 79 SER HN 4.50 (# 723:10 Unique 2.10, 2.70 A)
&rst
ixpk= 723, nxpk= 10, iat=1169,1183, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 78 ASN HA 79 SER HN 3.50 (# 724:10 Unique 2.94, 3.34 A)
&rst
ixpk= 724, nxpk= 10, iat=1171,1183, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 77 ASN HA 79 SER HN 4.50 (# 725:10 Unique 2.81, 3.32 A)
&rst
ixpk= 725, nxpk= 10, iat=1157,1183, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 79 SER HA 79 SER HN 2.80 (# 726:10 Unique 2.58, 2.70 A)
&rst
ixpk= 726, nxpk= 10, iat=1185,1183, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 79 SER HB- 79 SER HN 2.80 (# 727:10 Unique 2.59, 3.11 A)
&rst
ixpk= 727, nxpk= 10, iat= -1,1183, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1187,1188,
&end
#
# 0 AMB 10-2:729 120 LEU HN 5.50 (# 729:10 Single Ambig)
&rst
ixpk= 729, nxpk= 10, iat= -1,1845, r1= 0.00, r2= 1.80, r3= 8.64, r4= 9.39,
igr1=1400,1401,1402, 412, 413, 414, 416, 417, 418, 885,
886, 887, 889, 890, 891,
&end
#
# 0 AMB 10-2:730 95 SER HN 7.00 (# 730:10 Single Ambig)
&rst
ixpk= 730, nxpk= 10, iat= -1,1443, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1=1490,1491,1382,
&end
#
# 80 LEU HN 79 SER HN 3.50 (# 731:10 Unique 2.76, 3.07 A)
&rst
ixpk= 731, nxpk= 10, iat=1194,1183, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:732 79 SER HN 5.50 (# 732:10 Single Ambig)
&rst
ixpk= 732, nxpk= 10, iat= -1,1183, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1173,1174,1159,1160,
&end
#
# 94 SER HN 95 SER HN 2.80 (# 734:10 Unique 2.73, 2.78 A)
&rst
ixpk= 734, nxpk= 10, iat=1432,1443, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 95 SER HA 95 SER HN 2.80 (# 735:10 Unique 2.81, 2.82 A)
&rst
ixpk= 735, nxpk= 10, iat=1445,1443, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 95 SER HB+ 95 SER HN 2.80 (# 736:10 Unique 2.51, 3.06 A)
&rst
ixpk= 736, nxpk= 10, iat= -1,1443, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1447,1448,
&end
#
# 95 SER HB- 95 SER HN 2.80 (# 737:10 Unique 2.51, 3.06 A)
&rst
ixpk= 737, nxpk= 10, iat= -1,1443, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1447,1448,
&end
#
# 0 AMB 10-2:738 95 SER HN 5.50 (# 738:10 Single Ambig)
&rst
ixpk= 738, nxpk= 10, iat= -1,1443, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1417,1398,1468,1469,
&end
#
# 0 AMB 10-2:739 95 SER HN 4.50 (# 739:10 Single Ambig)
&rst
ixpk= 739, nxpk= 10, iat= -1,1443, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1384,1385,1386,1388,1389,1390,1407,1408,1409,1419,
1420,1421,
&end
#
# 0 AMB 10-2:741 95 SER HN 4.50 (# 741:10 Single Ambig)
&rst
ixpk= 741, nxpk= 10, iat= -1,1443, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1458,1459,1460,1852,
&end
#
# 0 AMB 10-2:742 95 SER HN 5.50 (# 742:10 Single Ambig)
&rst
ixpk= 742, nxpk= 10, iat= -1,1443, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
igr1=1854,1855,1856,1858,1859,1860, 410,
&end
#
# 0 AMB 10-2:743 95 SER HN 4.50 (# 743:10 Single Ambig)
&rst
ixpk= 743, nxpk= 10, iat= -1,1443, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1413,1464,
&end
#
# 119 GLN HN 118 THR HN 3.50 (# 745:10 Unique 2.57, 2.68 A)
&rst
ixpk= 745, nxpk= 10, iat=1828,1814, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 117 VAL HN 118 THR HN 3.50 (# 746:10 Unique 2.70, 2.78 A)
&rst
ixpk= 746, nxpk= 10, iat=1798,1814, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 118 THR HB 118 THR HN 3.50 (# 748:10 Unique 2.39, 3.09 A)
&rst
ixpk= 748, nxpk= 10, iat=1818,1814, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:749 118 THR HN 5.50 (# 749:10 Single Ambig)
&rst
ixpk= 749, nxpk= 10, iat= -1,1814, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1830,1866,
&end
#
# 117 VAL MGY 118 THR HN 3.50 (# 750:10 Unique 2.62, 4.43 A)
&rst
ixpk= 750, nxpk= 10, iat= -1,1814, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1804,1805,1806,1808,1809,1810,
&end
#
# 0 AMB 10-2:751 118 THR HN 3.50 (# 751:10 Single Ambig)
&rst
ixpk= 751, nxpk= 10, iat= -1,1814, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1820,1821,1822,1804,1805,1806,1808,1809,1810,
&end
#
# 118 THR HA 118 THR HN 4.50 (# 753:10 Unique 2.85, 2.88 A)
&rst
ixpk= 753, nxpk= 10, iat=1816,1814, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 92 ILE HN 90 GLU HN 5.50 (# 754:10 Unique 4.08, 4.18 A)
&rst
ixpk= 754, nxpk= 10, iat=1394,1363, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 113 CYS HA 116 PHE HN 5.50 (# 756:10 Unique 3.16, 3.68 A)
&rst
ixpk= 756, nxpk= 10, iat=1737,1778, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:757 116 PHE HN 3.50 (# 757:10 Single Ambig)
&rst
ixpk= 757, nxpk= 10, iat= -1,1778, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1780,1763,
&end
#
# 116 PHE HB- 116 PHE HN 2.80 (# 758:10 Unique 2.13, 2.48 A)
&rst
ixpk= 758, nxpk= 10, iat= -1,1778, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1782,1783,
&end
#
# 120 LEU HB+ 121 ARG HN 3.50 (# 759:10 Unique 2.36, 2.96 A)
&rst
ixpk= 759, nxpk= 10, iat= -1,1864, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1849,1850,
&end
#
# 0 AMB 10-2:760 121 ARG HN 4.50 (# 760:10 Single Ambig)
&rst
ixpk= 760, nxpk= 10, iat= -1,1864, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1400,1401,1402, 412, 413, 414, 416, 417, 418,
&end
#
# 0 AMB 10-2:761 121 ARG HN 3.50 (# 761:10 Single Ambig)
&rst
ixpk= 761, nxpk= 10, iat= -1,1864, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1888,1877,
&end
#
# 120 LEU HN 121 ARG HN 3.50 (# 762:10 Unique 2.69, 2.79 A)
&rst
ixpk= 762, nxpk= 10, iat=1845,1864, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 121 ARG HA 121 ARG HN 3.50 (# 763:10 Unique 2.84, 2.88 A)
&rst
ixpk= 763, nxpk= 10, iat=1866,1864, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 120 LEU HB- 121 ARG HN 3.50 (# 764:10 Unique 2.36, 2.96 A)
&rst
ixpk= 764, nxpk= 10, iat= -1,1864, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1849,1850,
&end
#
# 121 ARG HB- 121 ARG HN 3.50 (# 765:10 Unique 2.14, 3.14 A)
&rst
ixpk= 765, nxpk= 10, iat= -1,1864, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1868,1869,
&end
#
# 0 AMB 10-2:766 121 ARG HN 7.00 (# 766:10 Single Ambig)
&rst
ixpk= 766, nxpk= 10, iat= -1,1864, r1= 0.00, r2= 1.80, r3= 9.68, r4=10.43,
igr1=1854,1855,1856,1858,1859,1860, 410,
&end
#
# 91 VAL HN 90 GLU HN 3.50 (# 769:10 Unique 2.57, 2.68 A)
&rst
ixpk= 769, nxpk= 10, iat=1378,1363, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 88 PRO HA 90 GLU HN 5.50 (# 771:10 Unique 4.01, 4.26 A)
&rst
ixpk= 771, nxpk= 10, iat=1343,1363, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 90 GLU HG+ 90 GLU HN 3.50 (# 772:10 Unique 2.04, 2.79 A)
&rst
ixpk= 772, nxpk= 10, iat= -1,1363, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1370,1371,
&end
#
# 0 AMB 10-2:773 90 GLU HN 4.50 (# 773:10 Single Ambig)
&rst
ixpk= 773, nxpk= 10, iat= -1,1363, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1382,1337,1338,
&end
#
# 88 PRO HB+ 90 GLU HN 4.50 (# 774:10 Unique 3.78, 4.72 A)
&rst
ixpk= 774, nxpk= 10, iat= -1,1363, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1340,1341,
&end
#
# 89 VAL MGX 90 GLU HN 3.50 (# 775:10 Unique 2.16, 4.27 A)
&rst
ixpk= 775, nxpk= 10, iat= -1,1363, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1353,1354,1355,1357,1358,1359,
&end
#
# 89 VAL HN 90 GLU HN 3.50 (# 776:10 Unique 2.96, 3.16 A)
&rst
ixpk= 776, nxpk= 10, iat=1347,1363, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 90 GLU HA 90 GLU HN 3.50 (# 777:10 Unique 2.81, 2.84 A)
&rst
ixpk= 777, nxpk= 10, iat=1365,1363, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 89 VAL HA 90 GLU HN 5.50 (# 778:10 Unique 3.60, 3.62 A)
&rst
ixpk= 778, nxpk= 10, iat=1349,1363, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:779 90 GLU HN 2.80 (# 779:10 Single Ambig)
&rst
ixpk= 779, nxpk= 10, iat= -1,1363, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1367,1368,1351,
&end
#
# 93 ILE HB 90 GLU HN 5.50 (# 780:10 Unique 4.86, 5.11 A)
&rst
ixpk= 780, nxpk= 10, iat=1417,1363, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 89 VAL MGY 90 GLU HN 4.50 (# 781:10 Unique 2.16, 4.27 A)
&rst
ixpk= 781, nxpk= 10, iat= -1,1363, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1353,1354,1355,1357,1358,1359,
&end
#
# 116 PHE HD 116 PHE HN 7.00 (# 782:10 Unique 4.13, 4.65 A)
&rst
ixpk= 782, nxpk= 10, iat= -1,1778, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1786,1794,
&end
#
# 118 THR HA 121 ARG HN 5.50 (# 784:10 Unique 2.91, 3.26 A)
&rst
ixpk= 784, nxpk= 10, iat=1816,1864, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 121 ARG HB+ 121 ARG HN 2.80 (# 785:10 Unique 2.14, 3.14 A)
&rst
ixpk= 785, nxpk= 10, iat= -1,1864, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1868,1869,
&end
#
# 0 AMB 10-2:786 121 ARG HN 4.50 (# 786:10 Single Ambig)
&rst
ixpk= 786, nxpk= 10, iat= -1,1864, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1407,1408,1409, 183, 184, 185, 187, 188, 189,
&end
#
# 96 ALA HN 98 GLU HN 5.50 (# 789:10 Unique 4.12, 4.17 A)
&rst
ixpk= 789, nxpk= 10, iat=1454,1486, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 100 VAL HN 98 GLU HN 5.50 (# 791:10 Unique 3.90, 4.14 A)
&rst
ixpk= 791, nxpk= 10, iat=1518,1486, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 99 MET HA 98 GLU HN 5.50 (# 792:10 Unique 5.06, 5.27 A)
&rst
ixpk= 792, nxpk= 10, iat=1503,1486, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:793 98 GLU HN 3.50 (# 793:10 Single Ambig)
&rst
ixpk= 793, nxpk= 10, iat= -1,1486, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1466,1447,1448,
&end
#
# 98 GLU HG- 98 GLU HN 2.80 (# 794:10 Unique 2.49, 3.14 A)
&rst
ixpk= 794, nxpk= 10, iat= -1,1486, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1493,1494,
&end
#
# 96 ALA MB 98 GLU HN 5.50 (# 795:10 Unique 4.88, 5.51 A)
&rst
ixpk= 795, nxpk= 10, iat= -1,1486, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1458,1459,1460,
&end
#
# 100 VAL MGX 98 GLU HN 7.00 (# 797:10 Unique 4.77, 7.10 A)
&rst
ixpk= 797, nxpk= 10, iat= -1,1486, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1=1524,1525,1526,1528,1529,1530,
&end
#
# 88 PRO HB- 90 GLU HN 5.50 (# 798:10 Unique 3.78, 4.72 A)
&rst
ixpk= 798, nxpk= 10, iat= -1,1363, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1340,1341,
&end
#
# 66 GLU HA 69 VAL HN 4.50 (# 800:10 Unique 3.33, 3.46 A)
&rst
ixpk= 800, nxpk= 10, iat=1001,1042, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 116 PHE HB+ 116 PHE HN 2.80 (# 802:10 Unique 2.13, 2.48 A)
&rst
ixpk= 802, nxpk= 10, iat= -1,1778, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1782,1783,
&end
#
# 99 MET HN 98 GLU HN 2.80 (# 803:10 Unique 2.36, 2.62 A)
&rst
ixpk= 803, nxpk= 10, iat=1501,1486, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 98 GLU HA 98 GLU HN 2.80 (# 804:10 Unique 2.83, 2.85 A)
&rst
ixpk= 804, nxpk= 10, iat=1488,1486, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 99 MET HG- 98 GLU HN 7.00 (# 805:10 Unique 4.35, 5.55 A)
&rst
ixpk= 805, nxpk= 10, iat= -1,1486, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1508,1509,
&end
#
# 0 AMB 10-2:806 98 GLU HN 7.00 (# 806:10 Single Ambig)
&rst
ixpk= 806, nxpk= 10, iat= -1,1486, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1508,1509,1477,1478,
&end
#
# 98 GLU HB- 98 GLU HN 2.80 (# 807:10 Unique 2.25, 2.94 A)
&rst
ixpk= 807, nxpk= 10, iat= -1,1486, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1490,1491,
&end
#
# 97 LYS HB- 98 GLU HN 3.50 (# 808:10 Unique 2.85, 3.39 A)
&rst
ixpk= 808, nxpk= 10, iat= -1,1486, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1468,1469,
&end
#
# 97 LYS HG+ 98 GLU HN 5.50 (# 809:10 Unique 4.47, 5.00 A)
&rst
ixpk= 809, nxpk= 10, iat= -1,1486, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1471,1472,
&end
#
# 97 LYS HN 98 GLU HN 3.50 (# 810:10 Unique 2.72, 2.77 A)
&rst
ixpk= 810, nxpk= 10, iat=1464,1486, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:811 69 VAL HN 2.80 (# 811:10 Single Ambig)
&rst
ixpk= 811, nxpk= 10, iat= -1,1042, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1058,1026,
&end
#
# 0 AMB 10-2:812 69 VAL HN 5.50 (# 812:10 Single Ambig)
&rst
ixpk= 812, nxpk= 10, iat= -1,1042, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1014,1102,1111,
&end
#
# 68 VAL HA 69 VAL HN 4.50 (# 813:10 Unique 3.60, 3.64 A)
&rst
ixpk= 813, nxpk= 10, iat=1028,1042, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:814 69 VAL HN 3.50 (# 814:10 Single Ambig)
&rst
ixpk= 814, nxpk= 10, iat= -1,1042, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1044, 982,
&end
#
# 69 VAL HB 69 VAL HN 3.50 (# 815:10 Unique 2.29, 2.58 A)
&rst
ixpk= 815, nxpk= 10, iat=1046,1042, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 68 VAL HB 69 VAL HN 3.50 (# 816:10 Unique 2.27, 2.44 A)
&rst
ixpk= 816, nxpk= 10, iat=1030,1042, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 69 VAL MGY 69 VAL HN 2.80 (# 817:10 Unique 2.13, 3.64 A)
&rst
ixpk= 817, nxpk= 10, iat= -1,1042, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1048,1049,1050,1052,1053,1054,
&end
#
# 0 AMB 10-2:818 69 VAL HN 2.80 (# 818:10 Single Ambig)
&rst
ixpk= 818, nxpk= 10, iat= -1,1042, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1048,1049,1050,1052,1053,1054,1032,1033,1034,1036,
1037,1038,1032,1033,1034,1036,1037,1038,
&end
#
# 0 AMB 10-2:820 116 PHE HN 4.50 (# 820:10 Single Ambig)
&rst
ixpk= 820, nxpk= 10, iat= -1,1778, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1735,1730,1731,
&end
#
# 112 ASN HA 116 PHE HN 5.50 (# 821:10 Unique 3.74, 4.18 A)
&rst
ixpk= 821, nxpk= 10, iat=1723,1778, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:823 116 PHE HN 5.50 (# 823:10 Single Ambig)
&rst
ixpk= 823, nxpk= 10, iat= -1,1778, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1835,1836,1802,
&end
#
# 113 CYS HA 116 PHE HN 7.00 (# 826:10 Unique 3.16, 3.68 A)
&rst
ixpk= 826, nxpk= 10, iat=1737,1778, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 102 GLN HN 101 GLY HN 3.50 (# 827:10 Unique 2.52, 2.66 A)
&rst
ixpk= 827, nxpk= 10, iat=1541,1534, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 101 GLY HA- 101 GLY HN 3.50 (# 828:10 Unique 2.31, 2.66 A)
&rst
ixpk= 828, nxpk= 10, iat= -1,1534, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1536,1537,
&end
#
# 101 GLY HA+ 101 GLY HN 2.80 (# 829:10 Unique 2.31, 2.66 A)
&rst
ixpk= 829, nxpk= 10, iat= -1,1534, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1536,1537,
&end
#
# 0 AMB 10-2:830 101 GLY HN 4.50 (# 830:10 Single Ambig)
&rst
ixpk= 830, nxpk= 10, iat= -1,1534, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1522,1545,1546,
&end
#
# 100 VAL MGY 101 GLY HN 2.80 (# 831:10 Unique 2.62, 4.12 A)
&rst
ixpk= 831, nxpk= 10, iat= -1,1534, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1524,1525,1526,1528,1529,1530,
&end
#
# 60 VAL MGY 101 GLY HN 5.50 (# 832:10 Unique 3.77, 4.98 A)
&rst
ixpk= 832, nxpk= 10, iat= -1,1534, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 885, 886, 887, 889, 890, 891,
&end
#
# 100 VAL HA 101 GLY HN 3.50 (# 833:10 Unique 2.07, 2.10 A)
&rst
ixpk= 833, nxpk= 10, iat=1520,1534, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 60 VAL HB 101 GLY HN 4.50 (# 834:10 Unique 2.67, 2.81 A)
&rst
ixpk= 834, nxpk= 10, iat= 883,1534, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 60 VAL MGX 101 GLY HN 3.50 (# 835:10 Unique 3.77, 4.98 A)
&rst
ixpk= 835, nxpk= 10, iat= -1,1534, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 885, 886, 887, 889, 890, 891,
&end
#
# 51 PHE HA 52 SER HN 3.50 (# 837:10 Unique 2.16, 2.86 A)
&rst
ixpk= 837, nxpk= 10, iat= 754, 772, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 59 GLU HG+ 101 GLY HN 5.50 (# 838:10 Unique 3.21, 3.85 A)
&rst
ixpk= 838, nxpk= 10, iat= -1,1534, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 871, 872,
&end
#
# 60 VAL HN 101 GLY HN 7.00 (# 839:10 Unique 3.42, 3.58 A)
&rst
ixpk= 839, nxpk= 10, iat= 879,1534, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 0 AMB 10-2:840 101 GLY HN 7.00 (# 840:10 Single Ambig)
&rst
ixpk= 840, nxpk= 10, iat= -1,1534, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1=1518,1788,1792,
&end
#
# 98 GLU HN 97 LYS HN 3.50 (# 843:10 Unique 2.72, 2.77 A)
&rst
ixpk= 843, nxpk= 10, iat=1486,1464, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 97 LYS HA 97 LYS HN 3.50 (# 844:10 Unique 2.85, 2.87 A)
&rst
ixpk= 844, nxpk= 10, iat=1466,1464, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 97 LYS HB- 97 LYS HN 2.80 (# 846:10 Unique 2.25, 2.95 A)
&rst
ixpk= 846, nxpk= 10, iat= -1,1464, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1468,1469,
&end
#
# 97 LYS HG+ 97 LYS HN 3.50 (# 847:10 Unique 2.16, 3.17 A)
&rst
ixpk= 847, nxpk= 10, iat= -1,1464, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1471,1472,
&end
#
# 96 ALA MB 97 LYS HN 2.80 (# 848:10 Unique 2.39, 3.33 A)
&rst
ixpk= 848, nxpk= 10, iat= -1,1464, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1458,1459,1460,
&end
#
# 97 LYS HG- 97 LYS HN 3.50 (# 849:10 Unique 2.16, 3.17 A)
&rst
ixpk= 849, nxpk= 10, iat= -1,1464, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1471,1472,
&end
#
# 0 AMB 10-2:850 97 LYS HN 5.50 (# 850:10 Single Ambig)
&rst
ixpk= 850, nxpk= 10, iat= -1,1464, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1419,1420,1421, 531, 532, 533,
&end
#
# 0 AMB 10-2:851 97 LYS HN 3.50 (# 851:10 Single Ambig)
&rst
ixpk= 851, nxpk= 10, iat= -1,1464, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 538, 539, 540, 449, 450, 451,
&end
#
# 96 ALA HN 97 LYS HN 3.50 (# 856:10 Unique 2.75, 2.85 A)
&rst
ixpk= 856, nxpk= 10, iat=1454,1464, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 94 SER HA 97 LYS HN 3.50 (# 857:10 Unique 3.20, 3.45 A)
&rst
ixpk= 857, nxpk= 10, iat=1434,1464, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 98 GLU HB- 97 LYS HN 5.50 (# 858:10 Unique 4.69, 5.54 A)
&rst
ixpk= 858, nxpk= 10, iat= -1,1464, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1490,1491,
&end
#
# 100 VAL MGX 97 LYS HN 7.00 (# 859:10 Unique 4.55, 6.74 A)
&rst
ixpk= 859, nxpk= 10, iat= -1,1464, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1=1524,1525,1526,1528,1529,1530,
&end
#
# 20 GLY HN 21 TYR HN 3.50 (# 862:10 Unique 1.80, 2.42 A)
&rst
ixpk= 862, nxpk= 10, iat= 309, 316, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 19 LEU HN 21 TYR HN 5.50 (# 863:10 Unique 2.27, 3.29 A)
&rst
ixpk= 863, nxpk= 10, iat= 290, 316, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 23 HIS HD2 21 TYR HN 7.00 (# 865:10 Unique 6.56, 8.42 A)
&rst
ixpk= 865, nxpk= 10, iat= 365, 316, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 21 TYR HA 21 TYR HN 3.50 (# 866:10 Unique 2.87, 2.92 A)
&rst
ixpk= 866, nxpk= 10, iat= 318, 316, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:868 21 TYR HN 3.50 (# 868:10 Single Ambig)
&rst
ixpk= 868, nxpk= 10, iat= -1, 316, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 311, 312, 675,
&end
#
# 21 TYR HB- 21 TYR HN 4.50 (# 869:10 Unique 2.10, 3.16 A)
&rst
ixpk= 869, nxpk= 10, iat= -1, 316, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 320, 321,
&end
#
# 21 TYR HB+ 21 TYR HN 4.50 (# 870:10 Unique 2.10, 3.16 A)
&rst
ixpk= 870, nxpk= 10, iat= -1, 316, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 320, 321,
&end
#
# 0 AMB 10-2:871 21 TYR HN 5.50 (# 871:10 Single Ambig)
&rst
ixpk= 871, nxpk= 10, iat= -1, 316, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 270, 271, 341, 342,
&end
#
# 18 ARG HB+ 21 TYR HN 5.50 (# 872:10 Unique 2.96, 4.20 A)
&rst
ixpk= 872, nxpk= 10, iat= -1, 316, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 270, 271,
&end
#
# 20 GLY HA+ 21 TYR HN 3.50 (# 873:10 Unique 2.59, 3.22 A)
&rst
ixpk= 873, nxpk= 10, iat= -1, 316, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 311, 312,
&end
#
# 0 AMB 10-2:874 75 ARG HN 7.00 (# 874:10 Single Ambig)
&rst
ixpk= 874, nxpk= 10, iat= -1,1115, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1=1139, 246, 227,
&end
#
# 0 AMB 10-2:875 20 GLY HN 3.50 (# 875:10 Single Ambig)
&rst
ixpk= 875, nxpk= 10, iat= -1, 309, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 292, 675,
&end
#
# 19 LEU HB+ 20 GLY HN 4.50 (# 876:10 Unique 2.01, 4.17 A)
&rst
ixpk= 876, nxpk= 10, iat= -1, 309, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 294, 295,
&end
#
# 21 TYR HN 20 GLY HN 4.50 (# 877:10 Unique 1.80, 2.42 A)
&rst
ixpk= 877, nxpk= 10, iat= 316, 309, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 20 GLY HA+ 20 GLY HN 3.50 (# 879:10 Unique 2.29, 2.73 A)
&rst
ixpk= 879, nxpk= 10, iat= -1, 309, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 311, 312,
&end
#
# 0 AMB 10-2:880 20 GLY HN 4.50 (# 880:10 Single Ambig)
&rst
ixpk= 880, nxpk= 10, iat= -1, 309, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 299, 300, 301, 303, 304, 305, 299, 300, 301, 303,
304, 305,
&end
#
# 15 GLU HN 75 ARG HN 5.50 (# 881:10 Unique 2.61, 2.83 A)
&rst
ixpk= 881, nxpk= 10, iat= 212,1115, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 74 TYR HD 75 ARG HN 3.50 (# 882:10 Unique 3.19, 4.53 A)
&rst
ixpk= 882, nxpk= 10, iat= -1,1115, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1102,1111,
&end
#
# 74 TYR HA 75 ARG HN 3.50 (# 883:10 Unique 2.23, 2.32 A)
&rst
ixpk= 883, nxpk= 10, iat=1096,1115, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 16 ILE HA 75 ARG HN 5.50 (# 885:10 Unique 3.45, 3.71 A)
&rst
ixpk= 885, nxpk= 10, iat= 229,1115, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:886 75 ARG HN 3.50 (# 886:10 Single Ambig)
&rst
ixpk= 886, nxpk= 10, iat= -1,1115, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1098,1099,1098,1099,
&end
#
# 75 ARG HB- 75 ARG HN 4.50 (# 887:10 Unique 2.65, 3.33 A)
&rst
ixpk= 887, nxpk= 10, iat= -1,1115, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1119,1120,
&end
#
# 75 ARG HG+ 75 ARG HN 5.50 (# 888:10 Unique 2.43, 4.21 A)
&rst
ixpk= 888, nxpk= 10, iat= -1,1115, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1122,1123,
&end
#
# 0 AMB 10-2:889 75 ARG HN 4.50 (# 889:10 Single Ambig)
&rst
ixpk= 889, nxpk= 10, iat= -1,1115, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1122,1123, 216, 217, 237, 238,
&end
#
# 14 ILE QG2 75 ARG HN 3.50 (# 890:10 Unique 2.24, 3.28 A)
&rst
ixpk= 890, nxpk= 10, iat= -1,1115, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 199, 200, 201,
&end
#
# 65 LEU HA 66 GLU HN 5.50 (# 892:10 Unique 3.58, 3.61 A)
&rst
ixpk= 892, nxpk= 10, iat= 982, 999, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 65 LEU HN 66 GLU HN 3.50 (# 893:10 Unique 2.67, 2.77 A)
&rst
ixpk= 893, nxpk= 10, iat= 980, 999, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:894 66 GLU HN 4.50 (# 894:10 Single Ambig)
&rst
ixpk= 894, nxpk= 10, iat= -1, 999, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1048,1049,1050,1052,1053,1054, 989, 990, 991, 993,
994, 995,
&end
#
# 0 AMB 10-2:895 66 GLU HN 4.50 (# 895:10 Single Ambig)
&rst
ixpk= 895, nxpk= 10, iat= -1, 999, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1048,1049,1050,1052,1053,1054,1032,1033,1034,1036,
1037,1038,1032,1033,1034,1036,1037,1038, 515, 516,
517, 519, 520, 521,
&end
#
# 67 ASP HN 66 GLU HN 3.50 (# 897:10 Unique 2.59, 2.77 A)
&rst
ixpk= 897, nxpk= 10, iat=1014, 999, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 66 GLU HA 66 GLU HN 3.50 (# 899:10 Unique 2.83, 2.86 A)
&rst
ixpk= 899, nxpk= 10, iat=1001, 999, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 66 GLU HG+ 66 GLU HN 3.50 (# 900:10 Unique 1.95, 2.79 A)
&rst
ixpk= 900, nxpk= 10, iat= -1, 999, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1006,1007,
&end
#
# 66 GLU HB- 66 GLU HN 2.80 (# 901:10 Unique 2.43, 3.08 A)
&rst
ixpk= 901, nxpk= 10, iat= -1, 999, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1003,1004,
&end
#
# 0 AMB 10-2:902 66 GLU HN 2.80 (# 902:10 Single Ambig)
&rst
ixpk= 902, nxpk= 10, iat= -1, 999, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 984, 985, 960, 961,
&end
#
# 0 AMB 10-2:903 66 GLU HN 3.50 (# 903:10 Single Ambig)
&rst
ixpk= 903, nxpk= 10, iat= -1, 999, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 984, 985, 987,
&end
#
# 92 ILE HG1- 93 ILE HN 7.00 (# 904:10 Unique 3.83, 4.65 A)
&rst
ixpk= 904, nxpk= 10, iat= -1,1413, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1404,1405,
&end
#
# 90 GLU HB- 94 SER HN 7.00 (# 905:10 Unique 4.69, 5.25 A)
&rst
ixpk= 905, nxpk= 10, iat= -1,1432, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1367,1368,
&end
#
# 93 ILE HN 94 SER HN 3.50 (# 906:10 Unique 2.64, 2.76 A)
&rst
ixpk= 906, nxpk= 10, iat=1413,1432, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 95 SER HN 94 SER HN 2.80 (# 907:10 Unique 2.73, 2.78 A)
&rst
ixpk= 907, nxpk= 10, iat=1443,1432, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 94 SER HA 94 SER HN 2.80 (# 909:10 Unique 2.81, 2.83 A)
&rst
ixpk= 909, nxpk= 10, iat=1434,1432, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:910 94 SER HN 4.50 (# 910:10 Single Ambig)
&rst
ixpk= 910, nxpk= 10, iat= -1,1432, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1365,1447,1448,
&end
#
# 91 VAL HA 94 SER HN 3.50 (# 911:10 Unique 3.27, 3.50 A)
&rst
ixpk= 911, nxpk= 10, iat=1380,1432, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 93 ILE HA 94 SER HN 4.50 (# 912:10 Unique 3.56, 3.60 A)
&rst
ixpk= 912, nxpk= 10, iat=1415,1432, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 93 ILE HB 94 SER HN 2.80 (# 913:10 Unique 2.39, 2.62 A)
&rst
ixpk= 913, nxpk= 10, iat=1417,1432, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:914 94 SER HN 4.50 (# 914:10 Single Ambig)
&rst
ixpk= 914, nxpk= 10, iat= -1,1432, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1423,1424,1474,1475,
&end
#
# 93 ILE QG2 94 SER HN 3.50 (# 915:10 Unique 3.07, 4.17 A)
&rst
ixpk= 915, nxpk= 10, iat= -1,1432, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1419,1420,1421,
&end
#
# 0 AMB 10-2:916 94 SER HN 4.50 (# 916:10 Single Ambig)
&rst
ixpk= 916, nxpk= 10, iat= -1,1432, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1426,1427,1428, 449, 450, 451, 538, 539, 540,
&end
#
# 90 GLU HA 93 ILE HN 3.50 (# 917:10 Unique 3.22, 3.34 A)
&rst
ixpk= 917, nxpk= 10, iat=1365,1413, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:918 93 ILE HN 4.50 (# 918:10 Single Ambig)
&rst
ixpk= 918, nxpk= 10, iat= -1,1413, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1396, 157, 158,
&end
#
# 0 AMB 10-2:919 93 ILE HN 2.80 (# 919:10 Single Ambig)
&rst
ixpk= 919, nxpk= 10, iat= -1,1413, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1417,1398,
&end
#
# 93 ILE HG1- 93 ILE HN 3.50 (# 920:10 Unique 2.10, 2.94 A)
&rst
ixpk= 920, nxpk= 10, iat= -1,1413, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1423,1424,
&end
#
# 93 ILE QD1 93 ILE HN 3.50 (# 921:10 Unique 3.09, 4.34 A)
&rst
ixpk= 921, nxpk= 10, iat= -1,1413, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1426,1427,1428,
&end
#
# 94 SER HN 93 ILE HN 3.50 (# 922:10 Unique 2.64, 2.76 A)
&rst
ixpk= 922, nxpk= 10, iat=1432,1413, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 93 ILE HA 93 ILE HN 3.50 (# 923:10 Unique 2.82, 2.85 A)
&rst
ixpk= 923, nxpk= 10, iat=1415,1413, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 93 ILE HG1+ 93 ILE HN 3.50 (# 924:10 Unique 2.10, 2.94 A)
&rst
ixpk= 924, nxpk= 10, iat= -1,1413, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1423,1424,
&end
#
# 0 AMB 10-2:925 93 ILE HN 3.50 (# 925:10 Single Ambig)
&rst
ixpk= 925, nxpk= 10, iat= -1,1413, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1353,1354,1355,1357,1358,1359,1419,1420,1421,1407,
1408,1409,
&end
#
# 0 AMB 10-2:926 94 SER HN 5.50 (# 926:10 Single Ambig)
&rst
ixpk= 926, nxpk= 10, iat= -1,1432, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1423,1424, 412, 413, 414, 416, 417, 418,
&end
#
# 92 ILE HN 93 ILE HN 7.00 (# 927:10 Unique 2.44, 2.56 A)
&rst
ixpk= 927, nxpk= 10, iat=1394,1413, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 107 SER HB- 107 SER HN 3.50 (# 945:10 Unique 2.60, 3.23 A)
&rst
ixpk= 945, nxpk= 10, iat= -1,1640, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1644,1645,
&end
#
# 0 AMB 10-2:948 99 MET HN 4.50 (# 948:10 Single Ambig)
&rst
ixpk= 948, nxpk= 10, iat= -1,1501, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1493,1494,1548,1549,
&end
#
# 98 GLU HN 99 MET HN 2.80 (# 956:10 Unique 2.36, 2.62 A)
&rst
ixpk= 956, nxpk= 10, iat=1486,1501, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 100 VAL HN 99 MET HN 2.80 (# 957:10 Unique 2.60, 2.66 A)
&rst
ixpk= 957, nxpk= 10, iat=1518,1501, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 99 MET HA 99 MET HN 3.50 (# 958:10 Unique 2.88, 2.90 A)
&rst
ixpk= 958, nxpk= 10, iat=1503,1501, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 98 GLU HA 99 MET HN 3.50 (# 959:10 Unique 3.53, 3.55 A)
&rst
ixpk= 959, nxpk= 10, iat=1488,1501, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 96 ALA HA 99 MET HN 3.50 (# 960:10 Unique 3.40, 3.51 A)
&rst
ixpk= 960, nxpk= 10, iat=1456,1501, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 99 MET HG- 99 MET HN 3.50 (# 961:10 Unique 2.48, 3.30 A)
&rst
ixpk= 961, nxpk= 10, iat= -1,1501, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1508,1509,
&end
#
# 99 MET HG+ 99 MET HN 3.50 (# 962:10 Unique 2.48, 3.30 A)
&rst
ixpk= 962, nxpk= 10, iat= -1,1501, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1508,1509,
&end
#
# 99 MET HB- 99 MET HN 2.80 (# 963:10 Unique 2.24, 2.93 A)
&rst
ixpk= 963, nxpk= 10, iat= -1,1501, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1505,1506,
&end
#
# 98 GLU HB- 99 MET HN 2.80 (# 964:10 Unique 2.81, 3.27 A)
&rst
ixpk= 964, nxpk= 10, iat= -1,1501, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1490,1491,
&end
#
# 100 VAL MGX 99 MET HN 4.50 (# 965:10 Unique 3.96, 6.27 A)
&rst
ixpk= 965, nxpk= 10, iat= -1,1501, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1524,1525,1526,1528,1529,1530,
&end
#
# 0 AMB 10-2:966 99 MET HN 4.50 (# 966:10 Single Ambig)
&rst
ixpk= 966, nxpk= 10, iat= -1,1501, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 885, 886, 887, 889, 890, 891, 538, 539, 540,
&end
#
# 0 AMB 10-2:973 11 GLY HN 4.50 (# 973:10 Single Ambig)
&rst
ixpk= 973, nxpk= 10, iat= -1, 155, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 145, 146,1398,
&end
#
# 10 PRO HB- 11 GLY HN 4.50 (# 974:10 Unique 3.48, 4.03 A)
&rst
ixpk= 974, nxpk= 10, iat= -1, 155, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 148, 149,
&end
#
# 12 ASP HN 11 GLY HN 3.50 (# 975:10 Unique 2.73, 2.81 A)
&rst
ixpk= 975, nxpk= 10, iat= 162, 155, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 27 TYR HD 11 GLY HN 5.50 (# 976:10 Unique 2.34, 4.45 A)
&rst
ixpk= 976, nxpk= 10, iat= -1, 155, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 430, 439,
&end
#
# 28 ILE HA 11 GLY HN 4.50 (# 977:10 Unique 3.16, 3.45 A)
&rst
ixpk= 977, nxpk= 10, iat= 445, 155, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 11 GLY HA+ 11 GLY HN 3.50 (# 978:10 Unique 2.23, 2.56 A)
&rst
ixpk= 978, nxpk= 10, iat= -1, 155, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 157, 158,
&end
#
# 10 PRO HA 11 GLY HN 2.80 (# 979:10 Unique 2.09, 2.17 A)
&rst
ixpk= 979, nxpk= 10, iat= 151, 155, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 11 GLY HA- 11 GLY HN 3.50 (# 980:10 Unique 2.23, 2.56 A)
&rst
ixpk= 980, nxpk= 10, iat= -1, 155, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 157, 158,
&end
#
# 89 VAL MGY 11 GLY HN 4.50 (# 981:10 Unique 3.43, 5.46 A)
&rst
ixpk= 981, nxpk= 10, iat= -1, 155, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1353,1354,1355,1357,1358,1359,
&end
#
# 93 ILE QD1 11 GLY HN 3.50 (# 982:10 Unique 2.19, 3.40 A)
&rst
ixpk= 982, nxpk= 10, iat= -1, 155, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1426,1427,1428,
&end
#
# 78 ASN HD2- 85 GLN HE2- 7.00 (# 985:10 Unique 5.60,10.03 A)
&rst
ixpk= 985, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1178,1179,
igr2=1290,1291,
&end
#
# 84 TYR HE 85 GLN HE2- 5.50 (# 989:10 Unique 5.29, 7.99 A)
&rst
ixpk= 989, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1267,1272,
igr2=1290,1291,
&end
#
# 85 GLN HA 85 GLN HE2- 7.00 (# 990:10 Unique 3.59, 4.77 A)
&rst
ixpk= 990, nxpk= 10, iat=1280, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1290,1291,
&end
#
# 85 GLN HG+ 85 GLN HE2- 4.50 (# 992:10 Unique 2.38, 3.56 A)
&rst
ixpk= 992, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1285,1286,
igr2=1290,1291,
&end
#
# 84 TYR HB+ 85 GLN HE2- 5.50 (# 993:10 Unique 2.27, 4.10 A)
&rst
ixpk= 993, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1261,1262,
igr2=1290,1291,
&end
#
# 83 GLU HN 85 GLN HE2- 7.00 (# 995:10 Unique 4.88, 7.08 A)
&rst
ixpk= 995, nxpk= 10, iat=1242, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1290,1291,
&end
#
# 85 GLN HA 85 GLN HE2+ 5.50 (# 999:10 Unique 3.59, 4.77 A)
&rst
ixpk= 999, nxpk= 10, iat=1280, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1290,1291,
&end
#
# 122 TYR HA 85 GLN HE2+ 7.00 (# 1000:10 Unique 4.28, 6.93 A)
&rst
ixpk= 1000, nxpk= 10, iat=1890, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1290,1291,
&end
#
# 85 GLN HG+ 85 GLN HE2+ 5.50 (# 1001:10 Unique 2.38, 3.56 A)
&rst
ixpk= 1001, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1285,1286,
igr2=1290,1291,
&end
#
# 84 TYR HB+ 85 GLN HE2+ 5.50 (# 1002:10 Unique 2.27, 4.10 A)
&rst
ixpk= 1002, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1261,1262,
igr2=1290,1291,
&end
#
# 78 ASN HD2+ 85 GLN HE2+ 5.50 (# 1003:10 Unique 5.60,10.03 A)
&rst
ixpk= 1003, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1178,1179,
igr2=1290,1291,
&end
#
# 0 AMB 10-2:1016 0 AMB 10-1:1016 5.50 (# 1016:10 Double Ambig)
&rst
ixpk= 1016, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1178,1179,1178,1179,
igr2=1290,1291,1290,1291,
&end
#
# 85 GLN HA 85 GLN HE2+ 7.00 (# 1019:10 Unique 3.59, 4.77 A)
&rst
ixpk= 1019, nxpk= 10, iat=1280, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1290,1291,
&end
#
# 78 ASN HD2- 85 GLN HE2+ 5.50 (# 1020:10 Unique 5.60,10.03 A)
&rst
ixpk= 1020, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1178,1179,
igr2=1290,1291,
&end
#
# 0 AMB 10-2:1028 0 AMB 10-1:1028 7.00 (# 1028:10 Double Ambig)
&rst
ixpk= 1028, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
igr1=1909,1394,
igr2=1290,1291,1290,1291,
&end
#
# 85 GLN HG+ 85 GLN HE2+ 5.50 (# 1029:10 Unique 2.38, 3.56 A)
&rst
ixpk= 1029, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1285,1286,
igr2=1290,1291,
&end
#
# 83 GLU HN 85 GLN HE2+ 7.00 (# 1031:10 Unique 4.88, 7.08 A)
&rst
ixpk= 1031, nxpk= 10, iat=1242, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1290,1291,
&end
#
# 84 TYR HB+ 85 GLN HE2+ 5.50 (# 1035:10 Unique 2.27, 4.10 A)
&rst
ixpk= 1035, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1261,1262,
igr2=1290,1291,
&end
#
# 77 ASN HA 77 ASN HD2- 7.00 (# 1040:10 Unique 2.16, 3.77 A)
&rst
ixpk= 1040, nxpk= 10, iat=1157, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1164,1165,
&end
#
# 77 ASN HB- 77 ASN HD2- 4.50 (# 1043:10 Unique 2.27, 3.47 A)
&rst
ixpk= 1043, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1159,1160,
igr2=1164,1165,
&end
#
# 77 ASN HB+ 77 ASN HD2- 3.50 (# 1044:10 Unique 2.27, 3.47 A)
&rst
ixpk= 1044, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1159,1160,
igr2=1164,1165,
&end
#
# 77 ASN HB- 77 ASN HD2+ 4.50 (# 1049:10 Unique 2.27, 3.47 A)
&rst
ixpk= 1049, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1159,1160,
igr2=1164,1165,
&end
#
# 77 ASN HB+ 77 ASN HD2+ 3.50 (# 1050:10 Unique 2.27, 3.47 A)
&rst
ixpk= 1050, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1159,1160,
igr2=1164,1165,
&end
#
# 79 SER HB- 77 ASN HD2- 7.00 (# 1053:10 Unique 2.46, 4.42 A)
&rst
ixpk= 1053, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1187,1188,
igr2=1164,1165,
&end
#
# 123 GLY HN 122 TYR HN 2.80 (# 1057:10 Unique 2.71, 2.81 A)
&rst
ixpk= 1057, nxpk= 10, iat=1909,1888, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 121 ARG HN 122 TYR HN 3.50 (# 1058:10 Unique 2.61, 2.78 A)
&rst
ixpk= 1058, nxpk= 10, iat=1864,1888, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:1059 122 TYR HN 5.50 (# 1059:10 Single Ambig)
&rst
ixpk= 1059, nxpk= 10, iat= -1,1888, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1845,1290,1291,
&end
#
# 0 AMB 10-2:1061 122 TYR HN 4.50 (# 1061:10 Single Ambig)
&rst
ixpk= 1061, nxpk= 10, iat= -1,1888, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1816,1911,1912,
&end
#
# 0 AMB 10-2:1062 122 TYR HN 3.50 (# 1062:10 Single Ambig)
&rst
ixpk= 1062, nxpk= 10, iat= -1,1888, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1830,1866,
&end
#
# 0 AMB 10-2:1063 122 TYR HN 3.50 (# 1063:10 Single Ambig)
&rst
ixpk= 1063, nxpk= 10, iat= -1,1888, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1892,1893,1874,1875,
&end
#
# 0 AMB 10-2:1064 122 TYR HN 3.50 (# 1064:10 Single Ambig)
&rst
ixpk= 1064, nxpk= 10, iat= -1,1888, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1892,1893,1874,1875,
&end
#
# 0 AMB 10-2:1065 122 TYR HN 4.50 (# 1065:10 Single Ambig)
&rst
ixpk= 1065, nxpk= 10, iat= -1,1888, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1=1868,1869,1820,1821,1822,
&end
#
# 121 ARG HB+ 122 TYR HN 4.50 (# 1066:10 Unique 3.20, 4.15 A)
&rst
ixpk= 1066, nxpk= 10, iat= -1,1888, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1868,1869,
&end
#
# 0 AMB 10-2:1067 6 GLN HE2- 5.50 (# 1067:10 Single Ambig)
&rst
ixpk= 1067, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1087,1088, 250, 251,
igr2= 85, 86,
&end
#
# 0 AMB 10-2:1068 0 AMB 10-1:1068 5.50 (# 1068:10 Double Ambig)
&rst
ixpk= 1068, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 250, 251,1076,1077,
igr2= 85, 86, 85, 86,
&end
#
# 124 LYS HN 122 TYR HN 7.00 (# 1069:10 Unique 4.55, 4.78 A)
&rst
ixpk= 1069, nxpk= 10, iat=1916,1888, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 122 TYR HD 119 GLN HE2+ 5.50 (# 1075:10 Unique 3.72, 7.18 A)
&rst
ixpk= 1075, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1896,1905,
igr2=1840,1841,
&end
#
# 0 AMB 10-2:1076 119 GLN HE2- 7.00 (# 1076:10 Single Ambig)
&rst
ixpk= 1076, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1828,1888,
igr2=1840,1841,
&end
#
# 0 AMB 10-2:1077 119 GLN HE2- 7.00 (# 1077:10 Single Ambig)
&rst
ixpk= 1077, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1=1786,1794,1501,
igr2=1840,1841,
&end
#
# 0 AMB 10-2:1079 0 AMB 10-1:1079 7.00 (# 1079:10 Double Ambig)
&rst
ixpk= 1079, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1=1786,1794,1501,
igr2=1840,1841,1840,1841,
&end
#
# 0 AMB 10-2:1084 0 AMB 10-1:1084 5.50 (# 1084:10 Double Ambig)
&rst
ixpk= 1084, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1780,1763,
igr2=1840,1841,1840,1841,
&end
#
# 119 GLN HG- 119 GLN HE2+ 5.50 (# 1085:10 Unique 2.25, 3.43 A)
&rst
ixpk= 1085, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1835,1836,
igr2=1840,1841,
&end
#
# 119 GLN HG+ 119 GLN HE2+ 4.50 (# 1086:10 Unique 2.25, 3.43 A)
&rst
ixpk= 1086, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1835,1836,
igr2=1840,1841,
&end
#
# 78 ASN HB- 78 ASN HD2+ 4.50 (# 1087:10 Unique 2.17, 3.34 A)
&rst
ixpk= 1087, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1173,1174,
igr2=1178,1179,
&end
#
# 78 ASN HB+ 78 ASN HD2+ 3.50 (# 1088:10 Unique 2.17, 3.34 A)
&rst
ixpk= 1088, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1173,1174,
igr2=1178,1179,
&end
#
# 76 VAL MGY 78 ASN HD2+ 4.50 (# 1089:10 Unique 3.81, 6.42 A)
&rst
ixpk= 1089, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1145,1146,1147,1149,1150,1151,
igr2=1178,1179,
&end
#
# 13 LEU HN 78 ASN HD2- 7.00 (# 1090:10 Unique 2.23, 3.87 A)
&rst
ixpk= 1090, nxpk= 10, iat= 174, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=1178,1179,
&end
#
# 12 ASP HA 78 ASN HD2- 4.50 (# 1091:10 Unique 2.13, 3.75 A)
&rst
ixpk= 1091, nxpk= 10, iat= 164, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1178,1179,
&end
#
# 122 TYR HD 119 GLN HE2- 5.50 (# 1093:10 Unique 3.72, 7.18 A)
&rst
ixpk= 1093, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1896,1905,
igr2=1840,1841,
&end
#
# 0 AMB 10-2:1097 119 GLN HE2- 5.50 (# 1097:10 Single Ambig)
&rst
ixpk= 1097, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1780,1763,
igr2=1840,1841,
&end
#
# 119 GLN HG- 119 GLN HE2- 5.50 (# 1098:10 Unique 2.25, 3.43 A)
&rst
ixpk= 1098, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1835,1836,
igr2=1840,1841,
&end
#
# 13 LEU HN 78 ASN HD2+ 5.50 (# 1100:10 Unique 2.23, 3.87 A)
&rst
ixpk= 1100, nxpk= 10, iat= 174, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1178,1179,
&end
#
# 12 ASP HA 78 ASN HD2+ 4.50 (# 1102:10 Unique 2.13, 3.75 A)
&rst
ixpk= 1102, nxpk= 10, iat= 164, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1178,1179,
&end
#
# 78 ASN HB- 78 ASN HD2- 3.50 (# 1104:10 Unique 2.17, 3.34 A)
&rst
ixpk= 1104, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1173,1174,
igr2=1178,1179,
&end
#
# 78 ASN HB+ 78 ASN HD2- 3.50 (# 1105:10 Unique 2.17, 3.34 A)
&rst
ixpk= 1105, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1173,1174,
igr2=1178,1179,
&end
#
# 76 VAL MGY 78 ASN HD2- 4.50 (# 1106:10 Unique 3.81, 6.42 A)
&rst
ixpk= 1106, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1145,1146,1147,1149,1150,1151,
igr2=1178,1179,
&end
#
# 119 GLN HG+ 119 GLN HE2- 5.50 (# 1110:10 Unique 2.25, 3.43 A)
&rst
ixpk= 1110, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1835,1836,
igr2=1840,1841,
&end
#
# 0 AMB 10-2:1112 33 VAL HN 7.00 (# 1112:10 Single Ambig)
&rst
ixpk= 1112, nxpk= 10, iat= -1, 509, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1= 513, 921, 922,
&end
#
# 0 AMB 10-2:1113 33 VAL HN 7.00 (# 1113:10 Single Ambig)
&rst
ixpk= 1113, nxpk= 10, iat= -1, 509, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 453, 454, 924, 925,
&end
#
# 65 LEU HN 33 VAL HN 4.50 (# 1114:10 Unique 3.57, 3.77 A)
&rst
ixpk= 1114, nxpk= 10, iat= 980, 509, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 32 TYR HD 33 VAL HN 4.50 (# 1115:10 Unique 3.03, 4.57 A)
&rst
ixpk= 1115, nxpk= 10, iat= -1, 509, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 496, 505,
&end
#
# 64 ARG HA 33 VAL HN 4.50 (# 1116:10 Unique 3.62, 3.80 A)
&rst
ixpk= 1116, nxpk= 10, iat= 958, 509, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 32 TYR HB+ 33 VAL HN 3.50 (# 1117:10 Unique 2.59, 3.29 A)
&rst
ixpk= 1117, nxpk= 10, iat= -1, 509, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 492, 493,
&end
#
# 28 ILE QD1 33 VAL HN 7.00 (# 1118:10 Unique 3.97, 5.15 A)
&rst
ixpk= 1118, nxpk= 10, iat= -1, 509, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1= 456, 457, 458,
&end
#
# 34 ILE HN 33 VAL HN 5.50 (# 1120:10 Unique 4.34, 4.36 A)
&rst
ixpk= 1120, nxpk= 10, iat= 525, 509, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 63 GLU HN 33 VAL HN 3.50 (# 1121:10 Unique 2.65, 2.74 A)
&rst
ixpk= 1121, nxpk= 10, iat= 941, 509, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 33 VAL HA 33 VAL HN 4.50 (# 1122:10 Unique 2.94, 2.95 A)
&rst
ixpk= 1122, nxpk= 10, iat= 511, 509, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 32 TYR HA 33 VAL HN 2.80 (# 1123:10 Unique 2.14, 2.19 A)
&rst
ixpk= 1123, nxpk= 10, iat= 490, 509, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 32 TYR HB- 33 VAL HN 3.50 (# 1124:10 Unique 2.59, 3.29 A)
&rst
ixpk= 1124, nxpk= 10, iat= -1, 509, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 492, 493,
&end
#
# 33 VAL MGY 33 VAL HN 3.50 (# 1125:10 Unique 2.38, 3.70 A)
&rst
ixpk= 1125, nxpk= 10, iat= -1, 509, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 515, 516, 517, 519, 520, 521,
&end
#
# 33 VAL MGX 33 VAL HN 4.50 (# 1126:10 Unique 2.38, 3.70 A)
&rst
ixpk= 1126, nxpk= 10, iat= -1, 509, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 515, 516, 517, 519, 520, 521,
&end
#
# 0 AMB 10-2:1128 33 VAL HN 5.50 (# 1128:10 Single Ambig)
&rst
ixpk= 1128, nxpk= 10, iat= -1, 509, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 984, 985, 535, 536, 963, 964,
&end
#
# 122 TYR HN 123 GLY HN 2.80 (# 1132:10 Unique 2.71, 2.81 A)
&rst
ixpk= 1132, nxpk= 10, iat=1888,1909, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 123 GLY HA- 123 GLY HN 2.80 (# 1133:10 Unique 2.23, 2.49 A)
&rst
ixpk= 1133, nxpk= 10, iat= -1,1909, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1911,1912,
&end
#
# 121 ARG HA 123 GLY HN 3.50 (# 1134:10 Unique 2.83, 3.10 A)
&rst
ixpk= 1134, nxpk= 10, iat=1866,1909, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 123 GLY HA+ 123 GLY HN 2.80 (# 1135:10 Unique 2.23, 2.49 A)
&rst
ixpk= 1135, nxpk= 10, iat= -1,1909, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1911,1912,
&end
#
# 122 TYR HB- 123 GLY HN 3.50 (# 1136:10 Unique 3.06, 3.66 A)
&rst
ixpk= 1136, nxpk= 10, iat= -1,1909, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1892,1893,
&end
#
# 122 TYR HB+ 123 GLY HN 4.50 (# 1137:10 Unique 3.06, 3.66 A)
&rst
ixpk= 1137, nxpk= 10, iat= -1,1909, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1892,1893,
&end
#
# 124 LYS HN 123 GLY HN 4.50 (# 1138:10 Unique 2.87, 3.08 A)
&rst
ixpk= 1138, nxpk= 10, iat=1916,1909, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 116 PHE HB+ 117 VAL HN 5.50 (# 1147:10 Unique 2.46, 3.36 A)
&rst
ixpk= 1147, nxpk= 10, iat= -1,1798, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1782,1783,
&end
#
# 117 VAL MGY 117 VAL HN 3.50 (# 1148:10 Unique 2.05, 3.21 A)
&rst
ixpk= 1148, nxpk= 10, iat= -1,1798, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1804,1805,1806,1808,1809,1810,
&end
#
# 117 VAL MGX 117 VAL HN 4.50 (# 1149:10 Unique 2.05, 3.21 A)
&rst
ixpk= 1149, nxpk= 10, iat= -1,1798, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1804,1805,1806,1808,1809,1810,
&end
#
# 118 THR HN 117 VAL HN 5.50 (# 1150:10 Unique 2.70, 2.78 A)
&rst
ixpk= 1150, nxpk= 10, iat=1814,1798, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 118 THR HN 117 VAL HN 5.50 (# 1152:10 Unique 2.70, 2.78 A)
&rst
ixpk= 1152, nxpk= 10, iat=1814,1798, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 69 VAL HN 70 GLY HN 3.50 (# 1158:10 Unique 2.55, 2.76 A)
&rst
ixpk= 1158, nxpk= 10, iat=1042,1058, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 70 GLY HA- 70 GLY HN 2.80 (# 1161:10 Unique 2.24, 2.54 A)
&rst
ixpk= 1161, nxpk= 10, iat= -1,1058, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1060,1061,
&end
#
# 70 GLY HA+ 70 GLY HN 2.80 (# 1162:10 Unique 2.24, 2.54 A)
&rst
ixpk= 1162, nxpk= 10, iat= -1,1058, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1060,1061,
&end
#
# 69 VAL HA 70 GLY HN 5.50 (# 1163:10 Unique 3.48, 3.53 A)
&rst
ixpk= 1163, nxpk= 10, iat=1044,1058, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 69 VAL HB 70 GLY HN 4.50 (# 1164:10 Unique 3.04, 3.36 A)
&rst
ixpk= 1164, nxpk= 10, iat=1046,1058, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 69 VAL MGY 70 GLY HN 3.50 (# 1165:10 Unique 3.04, 4.79 A)
&rst
ixpk= 1165, nxpk= 10, iat= -1,1058, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1048,1049,1050,1052,1053,1054,
&end
#
# 0 AMB 10-2:1166 70 GLY HN 3.50 (# 1166:10 Single Ambig)
&rst
ixpk= 1166, nxpk= 10, iat= -1,1058, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1048,1049,1050,1052,1053,1054,1032,1033,1034,1036,
1037,1038,
&end
#
# 67 ASP HA 70 GLY HN 5.50 (# 1167:10 Unique 3.65, 3.81 A)
&rst
ixpk= 1167, nxpk= 10, iat=1016,1058, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1168 70 GLY HN 7.00 (# 1168:10 Single Ambig)
&rst
ixpk= 1168, nxpk= 10, iat= -1,1058, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1=1030, 273, 274,
&end
#
# 117 VAL HA 117 VAL HN 7.00 (# 1169:10 Unique 2.84, 2.88 A)
&rst
ixpk= 1169, nxpk= 10, iat=1800,1798, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 0 AMB 10-2:1170 117 VAL HN 7.00 (# 1170:10 Single Ambig)
&rst
ixpk= 1170, nxpk= 10, iat= -1,1798, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1=1782,1783,1748,
&end
#
# 0 AMB 10-2:1171 117 VAL HN 7.00 (# 1171:10 Single Ambig)
&rst
ixpk= 1171, nxpk= 10, iat= -1,1798, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1780,1763,
&end
#
# 0 AMB 10-2:1173 123 GLY HN 7.00 (# 1173:10 Single Ambig)
&rst
ixpk= 1173, nxpk= 10, iat= -1,1909, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1=1398,1832,1833,
&end
#
# 92 ILE HG1+ 123 GLY HN 7.00 (# 1174:10 Unique 2.67, 5.25 A)
&rst
ixpk= 1174, nxpk= 10, iat= -1,1909, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1404,1405,
&end
#
# 0 AMB 10-2:1175 119 GLN HE2- 7.00 (# 1175:10 Single Ambig)
&rst
ixpk= 1175, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1=1847,1447,1448,
igr2=1840,1841,
&end
#
# 0 AMB 10-2:1176 11 GLY HN 7.00 (# 1176:10 Single Ambig)
&rst
ixpk= 1176, nxpk= 10, iat= -1, 155, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
igr1=1423,1424, 412, 413, 414, 416, 417, 418,
&end
#
# 0 AMB 10-2:1178 99 MET HN 7.00 (# 1178:10 Single Ambig)
&rst
ixpk= 1178, nxpk= 10, iat= -1,1501, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 885, 886, 887, 889, 890, 891,1854,1855,1856,1858,
1859,1860,
&end
#
# 0 AMB 10-2:1179 99 MET HN 7.00 (# 1179:10 Single Ambig)
&rst
ixpk= 1179, nxpk= 10, iat= -1,1501, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1458,1459,1460,1852,
&end
#
# 95 SER HN 93 ILE HN 5.50 (# 1180:10 Unique 4.01, 4.12 A)
&rst
ixpk= 1180, nxpk= 10, iat=1443,1413, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1181 93 ILE HN 7.00 (# 1181:10 Single Ambig)
&rst
ixpk= 1181, nxpk= 10, iat= -1,1413, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1380,1447,1448, 151,
&end
#
# 0 AMB 10-2:1182 93 ILE HN 7.00 (# 1182:10 Single Ambig)
&rst
ixpk= 1182, nxpk= 10, iat= -1,1413, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1=1353,1354,1355,1357,1358,1359,1384,1385,1386,1388,
1389,1390,
&end
#
# 92 ILE HG1- 93 ILE HN 7.00 (# 1183:10 Unique 3.83, 4.65 A)
&rst
ixpk= 1183, nxpk= 10, iat= -1,1413, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1=1404,1405,
&end
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