NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
550996 |
2lku   |
cing | 1-original | 5 | AMBER | distance | NOE | ambi |
# 98 GLU HN 97 GLY HN 4.50 (# 0:10 Unique 2.37, 2.50 A)
&rst
ixpk= 0, nxpk= 10, iat=1530,1523, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,
rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
&end
#
# 0 AMB 10-2:1 97 GLY HN 6.00 (# 1:10 Single Ambig)
&rst
ixpk= 1, nxpk= 10, iat= -1,1523, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1534,1535,1534,1535,1568,1569,
&end
#
# 98 GLU HG+ 98 GLU HN 4.50 (# 2:10 Unique 2.14, 2.83 A)
&rst
ixpk= 2, nxpk= 10, iat= -1,1530, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1537,1538,
&end
#
# 98 GLU HG- 98 GLU HN 6.00 (# 3:10 Unique 2.14, 2.83 A)
&rst
ixpk= 3, nxpk= 10, iat= -1,1530, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1537,1538,
&end
#
# 0 AMB 10-2:4 98 GLU HN 6.00 (# 4:10 Single Ambig)
&rst
ixpk= 4, nxpk= 10, iat= -1,1530, r1= 0.00, r2= 1.80, r3= 7.85, r4= 8.60,
igr1=1463,1464,1465,1549,1550,
&end
#
# 99 LEU HN 98 GLU HN 4.50 (# 5:10 Unique 2.47, 2.59 A)
&rst
ixpk= 5, nxpk= 10, iat=1545,1530, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 97 GLY HN 98 GLU HN 3.50 (# 6:10 Unique 2.37, 2.50 A)
&rst
ixpk= 6, nxpk= 10, iat=1523,1530, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 97 GLY HA+ 98 GLU HN 6.00 (# 8:10 Unique 3.23, 3.30 A)
&rst
ixpk= 8, nxpk= 10, iat= -1,1530, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1525,1526,
&end
#
# 98 GLU HA 98 GLU HN 3.50 (# 9:10 Unique 2.89, 2.91 A)
&rst
ixpk= 9, nxpk= 10, iat=1532,1530, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 97 GLY HA- 98 GLU HN 4.50 (# 10:10 Unique 3.23, 3.30 A)
&rst
ixpk= 10, nxpk= 10, iat= -1,1530, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1525,1526,
&end
#
# 0 AMB 10-2:11 98 GLU HN 2.80 (# 11:10 Single Ambig)
&rst
ixpk= 11, nxpk= 10, iat= -1,1530, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1534,1535,1534,1535,
&end
#
# 108 CYS HA 109 SER HN 4.50 (# 13:10 Unique 3.31, 3.51 A)
&rst
ixpk= 13, nxpk= 10, iat=1695,1704, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 109 SER HA 109 SER HN 3.50 (# 14:10 Unique 2.20, 2.29 A)
&rst
ixpk= 14, nxpk= 10, iat=1706,1704, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:15 109 SER HN 3.50 (# 15:10 Single Ambig)
&rst
ixpk= 15, nxpk= 10, iat= -1,1704, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1708,1709,1708,1709,
&end
#
# 96 SER HN 97 GLY HN 3.50 (# 16:10 Unique 2.53, 2.60 A)
&rst
ixpk= 16, nxpk= 10, iat=1512,1523, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 97 GLY HA+ 97 GLY HN 3.50 (# 17:10 Unique 2.34, 2.66 A)
&rst
ixpk= 17, nxpk= 10, iat= -1,1523, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1525,1526,
&end
#
# 97 GLY HA- 97 GLY HN 2.80 (# 18:10 Unique 2.34, 2.66 A)
&rst
ixpk= 18, nxpk= 10, iat= -1,1523, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1525,1526,
&end
#
# 0 AMB 10-2:19 97 GLY HN 6.00 (# 19:10 Single Ambig)
&rst
ixpk= 19, nxpk= 10, iat= -1,1523, r1= 0.00, r2= 1.80, r3= 7.85, r4= 8.60,
igr1=1549,1550,1463,1464,1465,
&end
#
# 0 AMB 10-2:20 109 SER HN 6.00 (# 20:10 Single Ambig)
&rst
ixpk= 20, nxpk= 10, iat= -1,1704, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1697,1698,1697,1698,
&end
#
# 10 THR HB 11 LEU HN 4.50 (# 21:10 Unique 2.37, 2.50 A)
&rst
ixpk= 21, nxpk= 10, iat= 147, 157, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:22 11 LEU HN 3.50 (# 22:10 Single Ambig)
&rst
ixpk= 22, nxpk= 10, iat= -1, 157, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 159, 109,
&end
#
# 10 THR HN 11 LEU HN 4.50 (# 23:10 Unique 2.53, 2.73 A)
&rst
ixpk= 23, nxpk= 10, iat= 143, 157, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 11 LEU HG 11 LEU HN 4.50 (# 24:10 Unique 2.25, 2.84 A)
&rst
ixpk= 24, nxpk= 10, iat= 164, 157, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:25 11 LEU HN 4.50 (# 25:10 Single Ambig)
&rst
ixpk= 25, nxpk= 10, iat= -1, 157, r1= 0.00, r2= 1.80, r3= 6.90, r4= 7.65,
igr1= 97, 98, 99, 101, 102, 103, 97, 98, 99, 101,
102, 103, 95,
&end
#
# 11 LEU MDY 11 LEU HN 6.00 (# 26:10 Unique 2.34, 4.30 A)
&rst
ixpk= 26, nxpk= 10, iat= -1, 157, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 166, 167, 168, 170, 171, 172,
&end
#
# 11 LEU MDX 11 LEU HN 4.50 (# 27:10 Unique 2.34, 4.30 A)
&rst
ixpk= 27, nxpk= 10, iat= -1, 157, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 166, 167, 168, 170, 171, 172,
&end
#
# 0 AMB 10-2:28 0 AMB 10-1:28 3.50 (# 28:10 Double Ambig)
&rst
ixpk= 28, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
igr1= 803, 804, 149, 150, 151,
igr2= 799, 157,
&end
#
# 0 AMB 10-2:29 0 AMB 10-1:29 6.00 (# 29:10 Double Ambig)
&rst
ixpk= 29, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 176, 814,
igr2= 157, 799,
&end
#
# 91 VAL HA 91 VAL HN 4.50 (# 30:10 Unique 2.84, 2.85 A)
&rst
ixpk= 30, nxpk= 10, iat=1430,1428, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 91 VAL HB 91 VAL HN 3.50 (# 31:10 Unique 2.33, 2.42 A)
&rst
ixpk= 31, nxpk= 10, iat=1432,1428, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 91 VAL MGY 91 VAL HN 2.80 (# 32:10 Unique 2.32, 3.92 A)
&rst
ixpk= 32, nxpk= 10, iat= -1,1428, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1434,1435,1436,1438,1439,1440,
&end
#
# 90 THR HN 91 VAL HN 6.00 (# 33:10 Unique 2.76, 2.79 A)
&rst
ixpk= 33, nxpk= 10, iat=1414,1428, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 50 PHE HD 51 GLU HN 6.00 (# 34:10 Unique 2.91, 4.55 A)
&rst
ixpk= 34, nxpk= 10, iat= -1, 799, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 787, 795,
&end
#
# 50 PHE HA 51 GLU HN 2.80 (# 35:10 Unique 2.22, 2.34 A)
&rst
ixpk= 35, nxpk= 10, iat= 781, 799, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 21 VAL HA 51 GLU HN 6.00 (# 36:10 Unique 2.03, 2.51 A)
&rst
ixpk= 36, nxpk= 10, iat= 324, 799, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 50 PHE HB- 51 GLU HN 3.50 (# 37:10 Unique 2.39, 3.37 A)
&rst
ixpk= 37, nxpk= 10, iat= -1, 799, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 783, 784,
&end
#
# 21 VAL MGY 51 GLU HN 6.00 (# 38:10 Unique 3.42, 5.02 A)
&rst
ixpk= 38, nxpk= 10, iat= -1, 799, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 328, 329, 330, 332, 333, 334,
&end
#
# 51 GLU HA 51 GLU HN 6.00 (# 39:10 Unique 2.93, 2.98 A)
&rst
ixpk= 39, nxpk= 10, iat= 801, 799, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:40 51 GLU HN 6.00 (# 40:10 Single Ambig)
&rst
ixpk= 40, nxpk= 10, iat= -1, 799, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 783, 784, 271, 272,
&end
#
# 69 SER HN 68 TYR HN 6.00 (# 41:10 Unique 2.70, 2.83 A)
&rst
ixpk= 41, nxpk= 10, iat=1100,1079, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 90 THR HB 91 VAL HN 4.50 (# 42:10 Unique 2.53, 2.60 A)
&rst
ixpk= 42, nxpk= 10, iat=1418,1428, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 92 GLU HN 91 VAL HN 6.00 (# 43:10 Unique 2.82, 2.88 A)
&rst
ixpk= 43, nxpk= 10, iat=1444,1428, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 67 GLU HN 68 TYR HN 3.50 (# 44:10 Unique 2.42, 2.65 A)
&rst
ixpk= 44, nxpk= 10, iat=1064,1079, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:45 68 TYR HN 3.50 (# 45:10 Single Ambig)
&rst
ixpk= 45, nxpk= 10, iat= -1,1079, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1081,1025,
&end
#
# 0 AMB 10-2:46 68 TYR HN 4.50 (# 46:10 Single Ambig)
&rst
ixpk= 46, nxpk= 10, iat= -1,1079, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1068,1069,1068,1069,
&end
#
# 0 AMB 10-2:47 68 TYR HN 6.00 (# 47:10 Single Ambig)
&rst
ixpk= 47, nxpk= 10, iat= -1,1079, r1= 0.00, r2= 1.80, r3= 9.71, r4=10.46,
igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
1037,1038, 166, 167, 168, 170, 171, 172,
&end
#
# 0 AMB 10-2:48 68 TYR HN 6.00 (# 48:10 Single Ambig)
&rst
ixpk= 48, nxpk= 10, iat= -1,1079, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1066,1102,
&end
#
# 0 AMB 10-2:49 68 TYR HN 2.80 (# 49:10 Single Ambig)
&rst
ixpk= 49, nxpk= 10, iat= -1,1079, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1083,1084,1083,1084,
&end
#
# 64 GLY HN 65 LEU HN 6.00 (# 50:10 Unique 2.50, 2.74 A)
&rst
ixpk= 50, nxpk= 10, iat=1016,1023, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 65 LEU HB+ 65 LEU HN 3.50 (# 51:10 Unique 2.24, 2.62 A)
&rst
ixpk= 51, nxpk= 10, iat= -1,1023, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1027,1028,
&end
#
# 65 LEU HG 65 LEU HN 6.00 (# 52:10 Unique 2.41, 3.97 A)
&rst
ixpk= 52, nxpk= 10, iat=1030,1023, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 37 GLN HB- 37 GLN HN 3.50 (# 53:10 Unique 2.33, 2.59 A)
&rst
ixpk= 53, nxpk= 10, iat= -1, 571, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 575, 576,
&end
#
# 37 GLN HA 37 GLN HN 6.00 (# 54:10 Unique 2.77, 2.84 A)
&rst
ixpk= 54, nxpk= 10, iat= 573, 571, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:55 37 GLN HN 3.50 (# 55:10 Single Ambig)
&rst
ixpk= 55, nxpk= 10, iat= -1, 571, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 578, 579, 578, 579, 575, 576,
&end
#
# 0 AMB 10-2:56 37 GLN HN 6.00 (# 56:10 Single Ambig)
&rst
ixpk= 56, nxpk= 10, iat= -1, 571, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 498, 499, 495, 496,
&end
#
# 38 THR HB 37 GLN HN 6.00 (# 57:10 Unique 4.95, 5.13 A)
&rst
ixpk= 57, nxpk= 10, iat= 592, 571, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 65 LEU HA 65 LEU HN 6.00 (# 58:10 Unique 2.79, 2.86 A)
&rst
ixpk= 58, nxpk= 10, iat=1025,1023, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 66 LYS HN 65 LEU HN 6.00 (# 59:10 Unique 2.47, 2.87 A)
&rst
ixpk= 59, nxpk= 10, iat=1042,1023, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:60 65 LEU HN 6.00 (# 60:10 Single Ambig)
&rst
ixpk= 60, nxpk= 10, iat= -1,1023, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1= 958,1018,1019,
&end
#
# 65 LEU HB- 65 LEU HN 4.50 (# 61:10 Unique 2.24, 2.62 A)
&rst
ixpk= 61, nxpk= 10, iat= -1,1023, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1027,1028,
&end
#
# 0 AMB 10-2:62 65 LEU HN 4.50 (# 62:10 Single Ambig)
&rst
ixpk= 62, nxpk= 10, iat= -1,1023, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
1037,1038,
&end
#
# 92 GLU HN 93 ALA HN 3.50 (# 63:10 Unique 2.65, 2.72 A)
&rst
ixpk= 63, nxpk= 10, iat=1444,1459, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:64 0 AMB 10-1:64 3.50 (# 64:10 Double Ambig)
&rst
ixpk= 64, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1461, 244,
igr2=1459, 284,
&end
#
# 92 GLU HA 93 ALA HN 4.50 (# 65:10 Unique 3.58, 3.60 A)
&rst
ixpk= 65, nxpk= 10, iat=1446,1459, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:66 0 AMB 10-1:66 4.50 (# 66:10 Double Ambig)
&rst
ixpk= 66, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1416, 212,
igr2=1459, 284,
&end
#
# 92 GLU HG+ 93 ALA HN 6.00 (# 67:10 Unique 2.69, 4.73 A)
&rst
ixpk= 67, nxpk= 10, iat= -1,1459, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1451,1452,
&end
#
# 93 ALA MB 93 ALA HN 2.80 (# 68:10 Unique 2.38, 2.82 A)
&rst
ixpk= 68, nxpk= 10, iat= -1,1459, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1463,1464,1465,
&end
#
# 94 TYR HN 93 ALA HN 3.50 (# 69:10 Unique 2.68, 2.76 A)
&rst
ixpk= 69, nxpk= 10, iat=1469,1459, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:70 0 AMB 10-1:70 2.80 (# 70:10 Double Ambig)
&rst
ixpk= 70, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 288, 289,1448,1449,1448,1449,
igr2= 284,1459,
&end
#
# 63 GLN HN 64 GLY HN 3.50 (# 71:10 Unique 2.11, 2.44 A)
&rst
ixpk= 71, nxpk= 10, iat= 999,1016, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:72 64 GLY HN 2.80 (# 72:10 Single Ambig)
&rst
ixpk= 72, nxpk= 10, iat= -1,1016, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1018,1019, 958,
&end
#
# 64 GLY HA- 64 GLY HN 3.50 (# 73:10 Unique 2.25, 2.58 A)
&rst
ixpk= 73, nxpk= 10, iat= -1,1016, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1018,1019,
&end
#
# 0 AMB 10-2:74 64 GLY HN 4.50 (# 74:10 Single Ambig)
&rst
ixpk= 74, nxpk= 10, iat= -1,1016, r1= 0.00, r2= 1.80, r3= 6.90, r4= 7.65,
igr1= 40, 41, 42, 44, 45, 46, 40, 41, 42, 44,
45, 46, 95,
&end
#
# 65 LEU HN 64 GLY HN 4.50 (# 75:10 Unique 2.50, 2.74 A)
&rst
ixpk= 75, nxpk= 10, iat=1023,1016, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:76 0 AMB 10-1:76 6.00 (# 76:10 Double Ambig)
&rst
ixpk= 76, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1006,1007,1006,1007, 271, 272,
igr2=1016, 284,
&end
#
# 107 MET HN 106 ALA HN 3.50 (# 77:10 Unique 2.72, 2.81 A)
&rst
ixpk= 77, nxpk= 10, iat=1676,1666, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 106 ALA HA 106 ALA HN 3.50 (# 78:10 Unique 2.85, 2.86 A)
&rst
ixpk= 78, nxpk= 10, iat=1668,1666, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:79 106 ALA HN 3.50 (# 79:10 Single Ambig)
&rst
ixpk= 79, nxpk= 10, iat= -1,1666, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1646,1598,
&end
#
# 103 VAL HA 106 ALA HN 6.00 (# 80:10 Unique 3.10, 3.29 A)
&rst
ixpk= 80, nxpk= 10, iat=1615,1666, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:81 106 ALA HN 2.80 (# 81:10 Single Ambig)
&rst
ixpk= 81, nxpk= 10, iat= -1,1666, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1648,1649,1648,1649,
&end
#
# 106 ALA MB 106 ALA HN 2.80 (# 82:10 Unique 2.43, 2.86 A)
&rst
ixpk= 82, nxpk= 10, iat= -1,1666, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1670,1671,1672,
&end
#
# 15 VAL HN 14 VAL HN 3.50 (# 84:10 Unique 2.79, 2.90 A)
&rst
ixpk= 84, nxpk= 10, iat= 226, 210, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 14 VAL HA 14 VAL HN 2.80 (# 85:10 Unique 2.83, 2.84 A)
&rst
ixpk= 85, nxpk= 10, iat= 212, 210, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 14 VAL HB 14 VAL HN 3.50 (# 86:10 Unique 2.32, 2.96 A)
&rst
ixpk= 86, nxpk= 10, iat= 214, 210, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 13 LYS HG- 14 VAL HN 6.00 (# 87:10 Unique 2.74, 4.60 A)
&rst
ixpk= 87, nxpk= 10, iat= -1, 210, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 195, 196,
&end
#
# 14 VAL MGY 14 VAL HN 4.50 (# 88:10 Unique 2.28, 3.62 A)
&rst
ixpk= 88, nxpk= 10, iat= -1, 210, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 216, 217, 218, 220, 221, 222,
&end
#
# 13 LYS HN 14 VAL HN 4.50 (# 89:10 Unique 2.77, 2.92 A)
&rst
ixpk= 89, nxpk= 10, iat= 188, 210, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:90 14 VAL HN 3.50 (# 90:10 Single Ambig)
&rst
ixpk= 90, nxpk= 10, iat= -1, 210, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 192, 193, 192, 193,
&end
#
# 14 VAL MGX 14 VAL HN 2.80 (# 91:10 Unique 2.28, 3.62 A)
&rst
ixpk= 91, nxpk= 10, iat= -1, 210, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 216, 217, 218, 220, 221, 222,
&end
#
# 0 AMB 10-2:92 106 ALA HN 6.00 (# 92:10 Single Ambig)
&rst
ixpk= 92, nxpk= 10, iat= -1,1666, r1= 0.00, r2= 1.80, r3= 9.62, r4=10.37,
igr1=1271,1272,1273,1619,1620,1621,1623,1624,1625, 312,
313, 314, 316, 317, 318,1275,1276,
&end
#
# 41 GLN HB+ 42 ILE HN 6.00 (# 93:10 Unique 2.53, 3.29 A)
&rst
ixpk= 93, nxpk= 10, iat= -1, 651, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 638, 639,
&end
#
# 42 ILE QD1 42 ILE HN 6.00 (# 94:10 Unique 3.64, 4.45 A)
&rst
ixpk= 94, nxpk= 10, iat= -1, 651, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1= 664, 665, 666,
&end
#
# 42 ILE HG1+ 42 ILE HN 4.50 (# 95:10 Unique 2.37, 3.18 A)
&rst
ixpk= 95, nxpk= 10, iat= -1, 651, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 661, 662,
&end
#
# 42 ILE HA 42 ILE HN 4.50 (# 96:10 Unique 2.82, 2.85 A)
&rst
ixpk= 96, nxpk= 10, iat= 653, 651, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 42 ILE HB 42 ILE HN 2.80 (# 97:10 Unique 2.14, 2.23 A)
&rst
ixpk= 97, nxpk= 10, iat= 655, 651, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 9 THR HN 8 LYS HN 4.50 (# 98:10 Unique 2.77, 2.85 A)
&rst
ixpk= 98, nxpk= 10, iat= 129, 107, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 7 LEU HN 8 LYS HN 6.00 (# 99:10 Unique 2.66, 2.81 A)
&rst
ixpk= 99, nxpk= 10, iat= 88, 107, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:100 8 LYS HN 4.50 (# 100:10 Single Ambig)
&rst
ixpk= 100, nxpk= 10, iat= -1, 107, r1= 0.00, r2= 1.80, r3= 6.99, r4= 7.74,
igr1= 40, 41, 42, 44, 45, 46, 40, 41, 42, 44,
45, 46, 95, 38,
&end
#
# 5 PRO HA 8 LYS HN 6.00 (# 101:10 Unique 3.18, 4.49 A)
&rst
ixpk= 101, nxpk= 10, iat= 74, 107, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:102 8 LYS HN 6.00 (# 102:10 Single Ambig)
&rst
ixpk= 102, nxpk= 10, iat= -1, 107, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 90, 80,
&end
#
# 8 LYS HB+ 8 LYS HN 2.80 (# 103:10 Unique 2.30, 2.94 A)
&rst
ixpk= 103, nxpk= 10, iat= -1, 107, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 111, 112,
&end
#
# 0 AMB 10-2:104 8 LYS HN 3.50 (# 104:10 Single Ambig)
&rst
ixpk= 104, nxpk= 10, iat= -1, 107, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 114, 115, 92, 93,
&end
#
# 8 LYS HA 8 LYS HN 6.00 (# 105:10 Unique 2.83, 2.85 A)
&rst
ixpk= 105, nxpk= 10, iat= 109, 107, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 8 LYS HN 7 LEU HN 3.50 (# 106:10 Unique 2.66, 2.81 A)
&rst
ixpk= 106, nxpk= 10, iat= 107, 88, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:108 7 LEU HN 2.80 (# 108:10 Single Ambig)
&rst
ixpk= 108, nxpk= 10, iat= -1, 88, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 90, 80,
&end
#
# 7 LEU HB- 7 LEU HN 3.50 (# 109:10 Unique 2.29, 2.49 A)
&rst
ixpk= 109, nxpk= 10, iat= -1, 88, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 92, 93,
&end
#
# 0 AMB 10-2:110 7 LEU HN 4.50 (# 110:10 Single Ambig)
&rst
ixpk= 110, nxpk= 10, iat= -1, 88, r1= 0.00, r2= 1.80, r3= 6.90, r4= 7.65,
igr1= 40, 41, 42, 44, 45, 46, 40, 41, 42, 44,
45, 46, 95,
&end
#
# 7 LEU HB+ 7 LEU HN 2.80 (# 111:10 Unique 2.29, 2.49 A)
&rst
ixpk= 111, nxpk= 10, iat= -1, 88, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 92, 93,
&end
#
# 0 AMB 10-2:112 24 MET HN 6.00 (# 112:10 Single Ambig)
&rst
ixpk= 112, nxpk= 10, iat= -1, 377, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 512, 513, 512, 513,
&end
#
# 23 PHE HA 24 MET HN 3.50 (# 113:10 Unique 2.11, 2.16 A)
&rst
ixpk= 113, nxpk= 10, iat= 359, 377, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 71 TRP HA 71 TRP HN 6.00 (# 114:10 Unique 2.83, 2.89 A)
&rst
ixpk= 114, nxpk= 10, iat=1124,1122, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 47 ASN HA 48 ALA HN 2.80 (# 115:10 Unique 2.26, 2.50 A)
&rst
ixpk= 115, nxpk= 10, iat= 743, 755, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:116 48 ALA HN 6.00 (# 116:10 Single Ambig)
&rst
ixpk= 116, nxpk= 10, iat= -1, 755, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 726, 727, 696, 697, 693, 694,
&end
#
# 47 ASN HN 48 ALA HN 2.80 (# 117:10 Unique 1.87, 2.23 A)
&rst
ixpk= 117, nxpk= 10, iat= 741, 755, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 48 ALA MB 48 ALA HN 2.80 (# 118:10 Unique 2.69, 3.33 A)
&rst
ixpk= 118, nxpk= 10, iat= -1, 755, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 759, 760, 761,
&end
#
# 0 AMB 10-2:119 48 ALA HN 6.00 (# 119:10 Single Ambig)
&rst
ixpk= 119, nxpk= 10, iat= -1, 755, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 731, 732, 733, 735, 736, 737, 312, 313, 314, 316,
317, 318,
&end
#
# 27 THR HA 27 THR HN 6.00 (# 120:10 Unique 2.87, 2.97 A)
&rst
ixpk= 120, nxpk= 10, iat= 425, 423, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 24 MET ME 27 THR HN 6.00 (# 121:10 Unique 2.71, 4.85 A)
&rst
ixpk= 121, nxpk= 10, iat= -1, 423, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1= 388, 389, 390,
&end
#
# 0 AMB 10-2:122 27 THR HN 2.80 (# 122:10 Single Ambig)
&rst
ixpk= 122, nxpk= 10, iat= -1, 423, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 418, 419, 501,
&end
#
# 26 GLY HA- 27 THR HN 4.50 (# 123:10 Unique 2.20, 2.56 A)
&rst
ixpk= 123, nxpk= 10, iat= -1, 423, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 418, 419,
&end
#
# 27 THR MG2 27 THR HN 3.50 (# 124:10 Unique 2.47, 3.63 A)
&rst
ixpk= 124, nxpk= 10, iat= -1, 423, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 429, 430, 431,
&end
#
# 70 SER HN 71 TRP HN 4.50 (# 126:10 Unique 2.03, 2.84 A)
&rst
ixpk= 126, nxpk= 10, iat=1111,1122, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 70 SER HA 71 TRP HN 3.50 (# 127:10 Unique 3.25, 3.44 A)
&rst
ixpk= 127, nxpk= 10, iat=1113,1122, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:128 71 TRP HN 6.00 (# 128:10 Single Ambig)
&rst
ixpk= 128, nxpk= 10, iat= -1,1122, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1118,1044,
&end
#
# 70 SER HB- 71 TRP HN 6.00 (# 129:10 Unique 2.57, 3.85 A)
&rst
ixpk= 129, nxpk= 10, iat= -1,1122, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1115,1116,
&end
#
# 71 TRP HB+ 71 TRP HN 6.00 (# 130:10 Unique 2.12, 2.72 A)
&rst
ixpk= 130, nxpk= 10, iat= -1,1122, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1126,1127,
&end
#
# 71 TRP HB- 71 TRP HN 6.00 (# 131:10 Unique 2.12, 2.72 A)
&rst
ixpk= 131, nxpk= 10, iat= -1,1122, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1126,1127,
&end
#
# 55 ILE HG1- 55 ILE HN 4.50 (# 133:10 Unique 2.10, 3.04 A)
&rst
ixpk= 133, nxpk= 10, iat= -1, 855, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 865, 866,
&end
#
# 0 AMB 10-2:134 0 AMB 10-1:134 6.00 (# 134:10 Double Ambig)
&rst
ixpk= 134, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
igr1= 818, 819, 492, 493,
igr2= 814, 505,
&end
#
# 0 AMB 10-2:135 52 SER HN 4.50 (# 135:10 Single Ambig)
&rst
ixpk= 135, nxpk= 10, iat= -1, 814, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 806, 807, 803, 804,
&end
#
# 0 AMB 10-2:136 0 AMB 10-1:136 2.80 (# 136:10 Double Ambig)
&rst
ixpk= 136, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 801, 507,
igr2= 814, 505,
&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= 4.95, r4= 5.70,
igr1= 509, 510, 803, 804,
igr2= 505, 814,
&end
#
# 52 SER HA 52 SER HN 6.00 (# 138:10 Unique 2.88, 2.96 A)
&rst
ixpk= 138, nxpk= 10, iat= 816, 814, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 52 SER HB+ 52 SER HN 4.50 (# 139:10 Unique 2.34, 3.21 A)
&rst
ixpk= 139, nxpk= 10, iat= -1, 814, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 818, 819,
&end
#
# 0 AMB 10-2:140 0 AMB 10-1:140 6.00 (# 140:10 Double Ambig)
&rst
ixpk= 140, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
igr1= 509, 510, 450, 451,
igr2= 505, 814,
&end
#
# 0 AMB 10-2:141 32 GLN HN 6.00 (# 141:10 Single Ambig)
&rst
ixpk= 141, nxpk= 10, iat= -1, 505, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 498, 499, 495, 496,
&end
#
# 33 CYS HN 32 GLN HN 4.50 (# 142:10 Unique 2.55, 4.00 A)
&rst
ixpk= 142, nxpk= 10, iat= 522, 505, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:143 0 AMB 10-1:143 6.00 (# 143:10 Double Ambig)
&rst
ixpk= 143, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.31, r4=10.06,
igr1= 806, 807, 441, 442, 388, 389, 390,
igr2= 814, 505,
&end
#
# 0 AMB 10-2:144 32 GLN HN 4.50 (# 144:10 Single Ambig)
&rst
ixpk= 144, nxpk= 10, iat= -1, 505, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 512, 513, 512, 513,
&end
#
# 46 LEU MDY 46 LEU HN 4.50 (# 145:10 Unique 3.90, 5.03 A)
&rst
ixpk= 145, nxpk= 10, iat= -1, 722, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 731, 732, 733, 735, 736, 737,
&end
#
# 55 ILE HB 55 ILE HN 6.00 (# 146:10 Unique 2.93, 3.66 A)
&rst
ixpk= 146, nxpk= 10, iat= 859, 855, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 56 LEU HN 55 ILE HN 6.00 (# 147:10 Unique 2.56, 2.91 A)
&rst
ixpk= 147, nxpk= 10, iat= 874, 855, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 54 ASN HA 55 ILE HN 3.50 (# 148:10 Unique 2.13, 2.20 A)
&rst
ixpk= 148, nxpk= 10, iat= 843, 855, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 55 ILE HA 55 ILE HN 6.00 (# 149:10 Unique 2.85, 2.92 A)
&rst
ixpk= 149, nxpk= 10, iat= 857, 855, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 90 THR HN 89 ILE HN 6.00 (# 150:10 Unique 2.72, 2.77 A)
&rst
ixpk= 150, nxpk= 10, iat=1414,1395, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 40 VAL HA 40 VAL HN 4.50 (# 151:10 Unique 2.84, 2.86 A)
&rst
ixpk= 151, nxpk= 10, iat= 620, 618, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 40 VAL HB 40 VAL HN 4.50 (# 152:10 Unique 2.28, 3.07 A)
&rst
ixpk= 152, nxpk= 10, iat= 622, 618, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 40 VAL MGX 40 VAL HN 2.80 (# 153:10 Unique 2.22, 3.54 A)
&rst
ixpk= 153, nxpk= 10, iat= -1, 618, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 624, 625, 626, 628, 629, 630,
&end
#
# 39 VAL HN 40 VAL HN 6.00 (# 154:10 Unique 2.84, 2.95 A)
&rst
ixpk= 154, nxpk= 10, iat= 602, 618, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:155 99 LEU HN 6.00 (# 155:10 Single Ambig)
&rst
ixpk= 155, nxpk= 10, iat= -1,1545, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1471,1461,
&end
#
# 100 GLN HN 99 LEU HN 6.00 (# 156:10 Unique 2.61, 2.70 A)
&rst
ixpk= 156, nxpk= 10, iat=1564,1545, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 47 ASN HN 46 LEU HN 2.80 (# 157:10 Unique 2.56, 2.62 A)
&rst
ixpk= 157, nxpk= 10, iat= 741, 722, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 46 LEU HB+ 46 LEU HN 3.50 (# 158:10 Unique 2.13, 2.50 A)
&rst
ixpk= 158, nxpk= 10, iat= -1, 722, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 726, 727,
&end
#
# 46 LEU HA 46 LEU HN 2.80 (# 159:10 Unique 2.82, 2.84 A)
&rst
ixpk= 159, nxpk= 10, iat= 724, 722, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 46 LEU HG 46 LEU HN 4.50 (# 160:10 Unique 2.57, 4.15 A)
&rst
ixpk= 160, nxpk= 10, iat= 729, 722, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 46 LEU HB- 46 LEU HN 3.50 (# 161:10 Unique 2.13, 2.50 A)
&rst
ixpk= 161, nxpk= 10, iat= -1, 722, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 726, 727,
&end
#
# 46 LEU MDX 46 LEU HN 4.50 (# 162:10 Unique 3.90, 5.03 A)
&rst
ixpk= 162, nxpk= 10, iat= -1, 722, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 731, 732, 733, 735, 736, 737,
&end
#
# 88 ASP HA 88 ASP HN 4.50 (# 163:10 Unique 2.80, 2.84 A)
&rst
ixpk= 163, nxpk= 10, iat=1385,1383, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:165 88 ASP HN 3.50 (# 165:10 Single Ambig)
&rst
ixpk= 165, nxpk= 10, iat= -1,1383, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1387,1388,1387,1388,
&end
#
# 89 ILE HA 89 ILE HN 4.50 (# 166:10 Unique 2.85, 2.88 A)
&rst
ixpk= 166, nxpk= 10, iat=1397,1395, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:167 89 ILE HN 6.00 (# 167:10 Single Ambig)
&rst
ixpk= 167, nxpk= 10, iat= -1,1395, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1387,1388,1387,1388,
&end
#
# 89 ILE HG1- 89 ILE HN 4.50 (# 168:10 Unique 2.06, 3.35 A)
&rst
ixpk= 168, nxpk= 10, iat= -1,1395, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1405,1406,
&end
#
# 89 ILE HB 89 ILE HN 4.50 (# 169:10 Unique 2.42, 2.54 A)
&rst
ixpk= 169, nxpk= 10, iat=1399,1395, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 89 ILE HG1+ 89 ILE HN 6.00 (# 170:10 Unique 2.06, 3.35 A)
&rst
ixpk= 170, nxpk= 10, iat= -1,1395, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1405,1406,
&end
#
# 89 ILE QG2 89 ILE HN 6.00 (# 171:10 Unique 2.04, 4.12 A)
&rst
ixpk= 171, nxpk= 10, iat= -1,1395, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1=1401,1402,1403,
&end
#
# 0 AMB 10-2:172 95 LYS HN 4.50 (# 172:10 Single Ambig)
&rst
ixpk= 172, nxpk= 10, iat= -1,1490, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1448,1449,1448,1449,
&end
#
# 98 GLU HN 99 LEU HN 4.50 (# 173:10 Unique 2.47, 2.59 A)
&rst
ixpk= 173, nxpk= 10, iat=1530,1545, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 99 LEU HA 99 LEU HN 4.50 (# 174:10 Unique 2.86, 2.89 A)
&rst
ixpk= 174, nxpk= 10, iat=1547,1545, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:175 99 LEU HN 2.80 (# 175:10 Single Ambig)
&rst
ixpk= 175, nxpk= 10, iat= -1,1545, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1534,1535,1534,1535,
&end
#
# 0 AMB 10-2:176 99 LEU HN 2.80 (# 176:10 Single Ambig)
&rst
ixpk= 176, nxpk= 10, iat= -1,1545, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
igr1=1549,1550,1463,1464,1465,
&end
#
# 99 LEU HB- 99 LEU HN 3.50 (# 177:10 Unique 2.21, 2.51 A)
&rst
ixpk= 177, nxpk= 10, iat= -1,1545, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1549,1550,
&end
#
# 99 LEU MDY 99 LEU HN 6.00 (# 178:10 Unique 4.66, 5.21 A)
&rst
ixpk= 178, nxpk= 10, iat= -1,1545, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1554,1555,1556,1558,1559,1560,
&end
#
# 0 AMB 10-2:179 99 LEU HN 6.00 (# 179:10 Single Ambig)
&rst
ixpk= 179, nxpk= 10, iat= -1,1545, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1554,1555,1556,1558,1559,1560,1619,1620,1621,1623,
1624,1625,
&end
#
# 11 LEU HN 10 THR HN 3.50 (# 180:10 Unique 2.53, 2.73 A)
&rst
ixpk= 180, nxpk= 10, iat= 157, 143, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 9 THR HN 10 THR HN 3.50 (# 181:10 Unique 2.71, 2.80 A)
&rst
ixpk= 181, nxpk= 10, iat= 129, 143, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:182 103 VAL HN 6.00 (# 182:10 Single Ambig)
&rst
ixpk= 182, nxpk= 10, iat= -1,1613, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1598,1583,
&end
#
# 0 AMB 10-2:183 103 VAL HN 6.00 (# 183:10 Single Ambig)
&rst
ixpk= 183, nxpk= 10, iat= -1,1613, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1566,1547,
&end
#
# 103 VAL HA 103 VAL HN 6.00 (# 184:10 Unique 2.87, 2.89 A)
&rst
ixpk= 184, nxpk= 10, iat=1615,1613, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:185 103 VAL HN 2.80 (# 185:10 Single Ambig)
&rst
ixpk= 185, nxpk= 10, iat= -1,1613, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
igr1=1617,1600,1601,1600,1601,
&end
#
# 103 VAL MGY 103 VAL HN 2.80 (# 186:10 Unique 2.43, 3.95 A)
&rst
ixpk= 186, nxpk= 10, iat= -1,1613, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1619,1620,1621,1623,1624,1625,
&end
#
# 94 TYR HN 95 LYS HN 4.50 (# 187:10 Unique 2.64, 2.75 A)
&rst
ixpk= 187, nxpk= 10, iat=1469,1490, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 44 LYS HN 43 LEU HN 6.00 (# 188:10 Unique 2.72, 2.78 A)
&rst
ixpk= 188, nxpk= 10, iat= 689, 670, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 94 TYR HB+ 95 LYS HN 4.50 (# 189:10 Unique 2.57, 3.30 A)
&rst
ixpk= 189, nxpk= 10, iat= -1,1490, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1473,1474,
&end
#
# 0 AMB 10-2:190 0 AMB 10-1:190 6.00 (# 190:10 Double Ambig)
&rst
ixpk= 190, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1473,1474, 653,
igr2=1490, 670,
&end
#
# 0 AMB 10-2:191 0 AMB 10-1:191 4.50 (# 191:10 Double Ambig)
&rst
ixpk= 191, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1434,1435,1436,1438,1439,1440,1420,1421,1422,
igr2=1490, 670,
&end
#
# 0 AMB 10-2:192 0 AMB 10-1:192 4.50 (# 192:10 Double Ambig)
&rst
ixpk= 192, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.95, r4= 9.70,
igr1= 97, 98, 99, 101, 102, 103, 97, 98, 99, 101,
102, 103, 95, 40, 41, 42, 44, 45, 46, 40,
41, 42, 44, 45, 46, 312, 313, 314, 316, 317,
318,
igr2= 937, 670,
&end
#
# 0 AMB 10-2:193 0 AMB 10-1:193 4.50 (# 193:10 Double Ambig)
&rst
ixpk= 193, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.75, r4= 8.50,
igr1=1554,1555,1556,1558,1559,1560,1619,1620,1621,1623,
1624,1625,1232,
igr2= 670,1490,
&end
#
# 42 ILE QG2 43 LEU HN 6.00 (# 194:10 Unique 2.74, 3.78 A)
&rst
ixpk= 194, nxpk= 10, iat= -1, 670, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1= 657, 658, 659,
&end
#
# 43 LEU MDX 43 LEU HN 6.00 (# 195:10 Unique 3.29, 4.36 A)
&rst
ixpk= 195, nxpk= 10, iat= -1, 670, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 679, 680, 681, 683, 684, 685,
&end
#
# 43 LEU HA 43 LEU HN 6.00 (# 196:10 Unique 2.86, 2.88 A)
&rst
ixpk= 196, nxpk= 10, iat= 672, 670, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 43 LEU HG 43 LEU HN 4.50 (# 197:10 Unique 2.15, 2.34 A)
&rst
ixpk= 197, nxpk= 10, iat= 677, 670, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 43 LEU HB+ 43 LEU HN 4.50 (# 198:10 Unique 2.35, 2.98 A)
&rst
ixpk= 198, nxpk= 10, iat= -1, 670, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 674, 675,
&end
#
# 43 LEU MDY 43 LEU HN 6.00 (# 199:10 Unique 3.29, 4.36 A)
&rst
ixpk= 199, nxpk= 10, iat= -1, 670, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 679, 680, 681, 683, 684, 685,
&end
#
# 9 THR HA 10 THR HN 6.00 (# 201:10 Unique 3.57, 3.59 A)
&rst
ixpk= 201, nxpk= 10, iat= 131, 143, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 10 THR HB 10 THR HN 2.80 (# 202:10 Unique 2.45, 2.53 A)
&rst
ixpk= 202, nxpk= 10, iat= 147, 143, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 7 LEU HA 10 THR HN 4.50 (# 203:10 Unique 3.19, 3.45 A)
&rst
ixpk= 203, nxpk= 10, iat= 90, 143, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 10 THR HA 10 THR HN 3.50 (# 204:10 Unique 2.86, 2.89 A)
&rst
ixpk= 204, nxpk= 10, iat= 145, 143, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:205 10 THR HN 6.00 (# 205:10 Single Ambig)
&rst
ixpk= 205, nxpk= 10, iat= -1, 143, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 164, 195, 196, 82, 83, 84,
&end
#
# 9 THR MG2 10 THR HN 4.50 (# 206:10 Unique 3.52, 4.43 A)
&rst
ixpk= 206, nxpk= 10, iat= -1, 143, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 135, 136, 137,
&end
#
# 0 AMB 10-2:207 10 THR HN 4.50 (# 207:10 Single Ambig)
&rst
ixpk= 207, nxpk= 10, iat= -1, 143, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 149, 150, 151, 216, 217, 218, 220, 221, 222,
&end
#
# 0 AMB 10-2:208 10 THR HN 6.00 (# 208:10 Single Ambig)
&rst
ixpk= 208, nxpk= 10, iat= -1, 143, r1= 0.00, r2= 1.80, r3= 9.20, r4= 9.95,
igr1= 97, 98, 99, 101, 102, 103, 97, 98, 99, 101,
102, 103, 95,
&end
#
# 62 ARG HN 61 LEU HN 3.50 (# 209:10 Unique 2.45, 2.72 A)
&rst
ixpk= 209, nxpk= 10, iat= 975, 956, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:210 61 LEU HN 6.00 (# 210:10 Single Ambig)
&rst
ixpk= 210, nxpk= 10, iat= -1, 956, r1= 0.00, r2= 1.80, r3= 8.81, r4= 9.56,
igr1= 979, 980, 979, 980, 926, 927, 926, 927,1003,1004,
&end
#
# 0 AMB 10-2:211 61 LEU HN 2.80 (# 211:10 Single Ambig)
&rst
ixpk= 211, nxpk= 10, iat= -1, 956, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 960, 961, 960, 961, 941, 942,
&end
#
# 60 LEU HN 61 LEU HN 2.80 (# 212:10 Unique 2.46, 2.71 A)
&rst
ixpk= 212, nxpk= 10, iat= 937, 956, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 60 LEU HA 61 LEU HN 6.00 (# 213:10 Unique 3.44, 3.56 A)
&rst
ixpk= 213, nxpk= 10, iat= 939, 956, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 60 LEU HB+ 61 LEU HN 4.50 (# 214:10 Unique 2.41, 3.35 A)
&rst
ixpk= 214, nxpk= 10, iat= -1, 956, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 941, 942,
&end
#
# 0 AMB 10-2:215 61 LEU HN 4.50 (# 215:10 Single Ambig)
&rst
ixpk= 215, nxpk= 10, iat= -1, 956, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 946, 947, 948, 950, 951, 952, 946, 947, 948, 950,
951, 952,
&end
#
# 104 GLU HN 103 VAL HN 4.50 (# 216:10 Unique 2.69, 2.75 A)
&rst
ixpk= 216, nxpk= 10, iat=1629,1613, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 102 GLN HN 103 VAL HN 4.50 (# 217:10 Unique 2.72, 2.79 A)
&rst
ixpk= 217, nxpk= 10, iat=1596,1613, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 93 ALA HA 95 LYS HN 6.00 (# 219:10 Unique 4.12, 4.51 A)
&rst
ixpk= 219, nxpk= 10, iat=1461,1490, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 95 LYS HA 95 LYS HN 4.50 (# 220:10 Unique 2.87, 2.90 A)
&rst
ixpk= 220, nxpk= 10, iat=1492,1490, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 95 LYS HB- 95 LYS HN 3.50 (# 221:10 Unique 2.32, 2.95 A)
&rst
ixpk= 221, nxpk= 10, iat= -1,1490, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1494,1495,
&end
#
# 61 LEU HN 60 LEU HN 2.80 (# 222:10 Unique 2.46, 2.71 A)
&rst
ixpk= 222, nxpk= 10, iat= 956, 937, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 60 LEU HA 60 LEU HN 2.80 (# 223:10 Unique 2.65, 2.85 A)
&rst
ixpk= 223, nxpk= 10, iat= 939, 937, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 59 GLU HG+ 60 LEU HN 6.00 (# 224:10 Unique 2.37, 4.60 A)
&rst
ixpk= 224, nxpk= 10, iat= -1, 937, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 929, 930,
&end
#
# 0 AMB 10-2:225 60 LEU HN 2.80 (# 225:10 Single Ambig)
&rst
ixpk= 225, nxpk= 10, iat= -1, 937, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 926, 927, 926, 927,
&end
#
# 0 AMB 10-2:226 0 AMB 10-1:226 2.80 (# 226:10 Double Ambig)
&rst
ixpk= 226, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 941, 942,1497,1498,
igr2= 937,1490,
&end
#
# 0 AMB 10-2:227 0 AMB 10-1:227 2.80 (# 227:10 Double Ambig)
&rst
ixpk= 227, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 941, 942, 655,
igr2= 937, 670,
&end
#
# 61 LEU HA 61 LEU HN 4.50 (# 228:10 Unique 2.77, 2.89 A)
&rst
ixpk= 228, nxpk= 10, iat= 958, 956, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 61 LEU MDY 61 LEU HN 4.50 (# 229:10 Unique 2.28, 4.64 A)
&rst
ixpk= 229, nxpk= 10, iat= -1, 956, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 965, 966, 967, 969, 970, 971,
&end
#
# 0 AMB 10-2:230 104 GLU HN 6.00 (# 230:10 Single Ambig)
&rst
ixpk= 230, nxpk= 10, iat= -1,1629, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1588,1589,1288,1289,
&end
#
# 61 LEU HN 62 ARG HN 4.50 (# 231:10 Unique 2.45, 2.72 A)
&rst
ixpk= 231, nxpk= 10, iat= 956, 975, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 90 THR HB 90 THR HN 2.80 (# 232:10 Unique 2.54, 2.59 A)
&rst
ixpk= 232, nxpk= 10, iat=1418,1414, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 89 ILE HB 90 THR HN 4.50 (# 233:10 Unique 2.52, 3.13 A)
&rst
ixpk= 233, nxpk= 10, iat=1399,1414, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 99 LEU HB- 100 GLN HN 6.00 (# 234:10 Unique 2.50, 3.23 A)
&rst
ixpk= 234, nxpk= 10, iat= -1,1564, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1549,1550,
&end
#
# 0 AMB 10-2:235 100 GLN HN 6.00 (# 235:10 Single Ambig)
&rst
ixpk= 235, nxpk= 10, iat= -1,1564, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 731, 732, 733, 735, 736, 737,1619,1620,1621,1623,
1624,1625,
&end
#
# 101 GLU HN 100 GLN HN 6.00 (# 236:10 Unique 2.81, 2.88 A)
&rst
ixpk= 236, nxpk= 10, iat=1581,1564, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:237 100 GLN HN 4.50 (# 237:10 Single Ambig)
&rst
ixpk= 237, nxpk= 10, iat= -1,1564, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1566,1547,
&end
#
# 100 GLN HB+ 100 GLN HN 3.50 (# 238:10 Unique 2.40, 2.74 A)
&rst
ixpk= 238, nxpk= 10, iat= -1,1564, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1568,1569,
&end
#
# 99 LEU HB+ 100 GLN HN 4.50 (# 239:10 Unique 2.50, 3.23 A)
&rst
ixpk= 239, nxpk= 10, iat= -1,1564, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1549,1550,
&end
#
# 20 VAL HB 20 VAL HN 6.00 (# 240:10 Unique 2.42, 2.86 A)
&rst
ixpk= 240, nxpk= 10, iat= 310, 306, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 20 VAL MGY 20 VAL HN 4.50 (# 241:10 Unique 2.09, 4.06 A)
&rst
ixpk= 241, nxpk= 10, iat= -1, 306, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 312, 313, 314, 316, 317, 318,
&end
#
# 103 VAL HA 104 GLU HN 6.00 (# 242:10 Unique 3.61, 3.63 A)
&rst
ixpk= 242, nxpk= 10, iat=1615,1629, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 103 VAL HN 104 GLU HN 3.50 (# 243:10 Unique 2.69, 2.75 A)
&rst
ixpk= 243, nxpk= 10, iat=1613,1629, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 105 LYS HN 104 GLU HN 3.50 (# 244:10 Unique 2.76, 2.81 A)
&rst
ixpk= 244, nxpk= 10, iat=1644,1629, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:245 104 GLU HN 4.50 (# 245:10 Single Ambig)
&rst
ixpk= 245, nxpk= 10, iat= -1,1629, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1636,1637,1636,1637,
&end
#
# 103 VAL MGX 104 GLU HN 4.50 (# 246:10 Unique 3.43, 4.66 A)
&rst
ixpk= 246, nxpk= 10, iat= -1,1629, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1619,1620,1621,1623,1624,1625,
&end
#
# 104 GLU HA 104 GLU HN 2.80 (# 247:10 Unique 2.84, 2.85 A)
&rst
ixpk= 247, nxpk= 10, iat=1631,1629, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:248 104 GLU HN 2.80 (# 248:10 Single Ambig)
&rst
ixpk= 248, nxpk= 10, iat= -1,1629, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1633,1634,1617,
&end
#
# 0 AMB 10-2:249 104 GLU HN 6.00 (# 249:10 Single Ambig)
&rst
ixpk= 249, nxpk= 10, iat= -1,1629, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1648,1649,1648,1649,
&end
#
# 0 AMB 10-2:250 62 ARG HN 6.00 (# 250:10 Single Ambig)
&rst
ixpk= 250, nxpk= 10, iat= -1, 975, r1= 0.00, r2= 1.80, r3= 8.65, r4= 9.40,
igr1= 965, 966, 967, 969, 970, 971, 861, 862, 863,
&end
#
# 62 ARG HA 62 ARG HN 6.00 (# 251:10 Unique 2.76, 2.82 A)
&rst
ixpk= 251, nxpk= 10, iat= 977, 975, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:252 62 ARG HN 2.80 (# 252:10 Single Ambig)
&rst
ixpk= 252, nxpk= 10, iat= -1, 975, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 979, 980, 979, 980,
&end
#
# 0 AMB 10-2:253 62 ARG HN 3.50 (# 253:10 Single Ambig)
&rst
ixpk= 253, nxpk= 10, iat= -1, 975, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 960, 961, 960, 961,
&end
#
# 81 GLY HA+ 82 GLU HN 3.50 (# 254:10 Unique 3.23, 3.37 A)
&rst
ixpk= 254, nxpk= 10, iat= -1,1303, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1298,1299,
&end
#
# 91 VAL HN 90 THR HN 6.00 (# 255:10 Unique 2.76, 2.79 A)
&rst
ixpk= 255, nxpk= 10, iat=1428,1414, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 89 ILE HN 90 THR HN 6.00 (# 256:10 Unique 2.72, 2.77 A)
&rst
ixpk= 256, nxpk= 10, iat=1395,1414, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 89 ILE QG2 90 THR HN 6.00 (# 257:10 Unique 2.53, 3.99 A)
&rst
ixpk= 257, nxpk= 10, iat= -1,1414, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1=1401,1402,1403,
&end
#
# 90 THR HA 90 THR HN 3.50 (# 258:10 Unique 2.86, 2.87 A)
&rst
ixpk= 258, nxpk= 10, iat=1416,1414, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:259 90 THR HN 4.50 (# 259:10 Single Ambig)
&rst
ixpk= 259, nxpk= 10, iat= -1,1414, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1434,1435,1436,1438,1439,1440, 594, 595, 596,
&end
#
# 14 VAL HN 13 LYS HN 4.50 (# 260:10 Unique 2.77, 2.92 A)
&rst
ixpk= 260, nxpk= 10, iat= 210, 188, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 13 LYS HA 13 LYS HN 3.50 (# 261:10 Unique 2.83, 2.85 A)
&rst
ixpk= 261, nxpk= 10, iat= 190, 188, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 12 ASP HB- 13 LYS HN 4.50 (# 262:10 Unique 2.48, 3.22 A)
&rst
ixpk= 262, nxpk= 10, iat= -1, 188, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 180, 181,
&end
#
# 12 ASP HB+ 13 LYS HN 6.00 (# 263:10 Unique 2.48, 3.22 A)
&rst
ixpk= 263, nxpk= 10, iat= -1, 188, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 180, 181,
&end
#
# 13 LYS HG+ 13 LYS HN 6.00 (# 264:10 Unique 2.21, 3.67 A)
&rst
ixpk= 264, nxpk= 10, iat= -1, 188, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 195, 196,
&end
#
# 13 LYS HG- 13 LYS HN 6.00 (# 265:10 Unique 2.21, 3.67 A)
&rst
ixpk= 265, nxpk= 10, iat= -1, 188, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 195, 196,
&end
#
# 12 ASP HN 13 LYS HN 4.50 (# 266:10 Unique 2.88, 2.94 A)
&rst
ixpk= 266, nxpk= 10, iat= 176, 188, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:267 13 LYS HN 2.80 (# 267:10 Single Ambig)
&rst
ixpk= 267, nxpk= 10, iat= -1, 188, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 192, 193, 192, 193,
&end
#
# 0 AMB 10-2:268 13 LYS HN 6.00 (# 268:10 Single Ambig)
&rst
ixpk= 268, nxpk= 10, iat= -1, 188, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 198, 199, 198, 199,
&end
#
# 0 AMB 10-2:269 33 CYS HN 4.50 (# 269:10 Single Ambig)
&rst
ixpk= 269, nxpk= 10, iat= -1, 522, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 505, 571,
&end
#
# 32 GLN HA 33 CYS HN 3.50 (# 270:10 Unique 2.13, 2.53 A)
&rst
ixpk= 270, nxpk= 10, iat= 507, 522, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:271 33 CYS HN 6.00 (# 271:10 Single Ambig)
&rst
ixpk= 271, nxpk= 10, iat= -1, 522, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 498, 499, 495, 496,
&end
#
# 33 CYS HB+ 33 CYS HN 6.00 (# 272:10 Unique 2.32, 3.14 A)
&rst
ixpk= 272, nxpk= 10, iat= -1, 522, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 526, 527,
&end
#
# 0 AMB 10-2:273 33 CYS HN 6.00 (# 273:10 Single Ambig)
&rst
ixpk= 273, nxpk= 10, iat= -1, 522, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 512, 513, 512, 513,
&end
#
# 20 VAL MGX 20 VAL HN 4.50 (# 274:10 Unique 2.09, 4.06 A)
&rst
ixpk= 274, nxpk= 10, iat= -1, 306, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 312, 313, 314, 316, 317, 318,
&end
#
# 0 AMB 10-2:275 92 GLU HN 6.00 (# 275:10 Single Ambig)
&rst
ixpk= 275, nxpk= 10, iat= -1,1444, r1= 0.00, r2= 1.80, r3= 8.30, r4= 9.05,
igr1=1500,1501,1500,1501,1463,1464,1465,
&end
#
# 92 GLU HG+ 92 GLU HN 3.50 (# 276:10 Unique 2.37, 3.05 A)
&rst
ixpk= 276, nxpk= 10, iat= -1,1444, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1451,1452,
&end
#
# 91 VAL HB 92 GLU HN 3.50 (# 277:10 Unique 2.65, 2.79 A)
&rst
ixpk= 277, nxpk= 10, iat=1432,1444, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:278 92 GLU HN 2.80 (# 278:10 Single Ambig)
&rst
ixpk= 278, nxpk= 10, iat= -1,1444, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1448,1449,1448,1449,
&end
#
# 91 VAL MGX 92 GLU HN 3.50 (# 279:10 Unique 3.29, 4.62 A)
&rst
ixpk= 279, nxpk= 10, iat= -1,1444, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1434,1435,1436,1438,1439,1440,
&end
#
# 0 AMB 10-2:280 105 LYS HN 2.80 (# 280:10 Single Ambig)
&rst
ixpk= 280, nxpk= 10, iat= -1,1644, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1646,1598,
&end
#
# 104 GLU HN 105 LYS HN 3.50 (# 281:10 Unique 2.76, 2.81 A)
&rst
ixpk= 281, nxpk= 10, iat=1629,1644, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:282 105 LYS HN 2.80 (# 282:10 Single Ambig)
&rst
ixpk= 282, nxpk= 10, iat= -1,1644, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1648,1649,1648,1649,
&end
#
# 105 LYS HG+ 105 LYS HN 4.50 (# 283:10 Unique 2.38, 3.98 A)
&rst
ixpk= 283, nxpk= 10, iat= -1,1644, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1651,1652,
&end
#
# 104 GLU HB- 105 LYS HN 2.80 (# 284:10 Unique 2.51, 3.21 A)
&rst
ixpk= 284, nxpk= 10, iat= -1,1644, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1633,1634,
&end
#
# 82 GLU HB+ 82 GLU HN 2.80 (# 285:10 Unique 2.54, 3.15 A)
&rst
ixpk= 285, nxpk= 10, iat= -1,1303, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1307,1308,
&end
#
# 82 GLU HB- 82 GLU HN 2.80 (# 286:10 Unique 2.54, 3.15 A)
&rst
ixpk= 286, nxpk= 10, iat= -1,1303, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1307,1308,
&end
#
# 82 GLU HG- 82 GLU HN 4.50 (# 287:10 Unique 2.40, 4.10 A)
&rst
ixpk= 287, nxpk= 10, iat= -1,1303, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1310,1311,
&end
#
# 81 GLY HN 82 GLU HN 4.50 (# 288:10 Unique 1.66, 2.20 A)
&rst
ixpk= 288, nxpk= 10, iat=1296,1303, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 82 GLU HA 82 GLU HN 3.50 (# 289:10 Unique 2.93, 2.98 A)
&rst
ixpk= 289, nxpk= 10, iat=1305,1303, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 81 GLY HA- 82 GLU HN 6.00 (# 290:10 Unique 3.23, 3.37 A)
&rst
ixpk= 290, nxpk= 10, iat= -1,1303, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1298,1299,
&end
#
# 82 GLU HG+ 82 GLU HN 4.50 (# 291:10 Unique 2.40, 4.10 A)
&rst
ixpk= 291, nxpk= 10, iat= -1,1303, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1310,1311,
&end
#
# 79 ILE HN 82 GLU HN 4.50 (# 292:10 Unique 2.98, 3.13 A)
&rst
ixpk= 292, nxpk= 10, iat=1265,1303, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 10 THR HA 13 LYS HN 4.50 (# 293:10 Unique 3.27, 3.59 A)
&rst
ixpk= 293, nxpk= 10, iat= 145, 188, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:294 13 LYS HN 6.00 (# 294:10 Single Ambig)
&rst
ixpk= 294, nxpk= 10, iat= -1, 188, r1= 0.00, r2= 1.80, r3= 9.42, r4=10.17,
igr1= 216, 217, 218, 220, 221, 222, 232, 233, 234, 236,
237, 238, 149, 150, 151,
&end
#
# 17 SER HN 16 THR HN 4.50 (# 295:10 Unique 2.29, 2.55 A)
&rst
ixpk= 295, nxpk= 10, iat= 256, 242, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 15 VAL MGX 16 THR HN 4.50 (# 296:10 Unique 2.63, 4.42 A)
&rst
ixpk= 296, nxpk= 10, iat= -1, 242, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 232, 233, 234, 236, 237, 238,
&end
#
# 15 VAL HN 16 THR HN 4.50 (# 297:10 Unique 2.74, 2.81 A)
&rst
ixpk= 297, nxpk= 10, iat= 226, 242, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 16 THR HA 16 THR HN 4.50 (# 299:10 Unique 2.91, 2.94 A)
&rst
ixpk= 299, nxpk= 10, iat= 244, 242, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 16 THR MG2 16 THR HN 4.50 (# 300:10 Unique 2.49, 3.46 A)
&rst
ixpk= 300, nxpk= 10, iat= -1, 242, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 248, 249, 250,
&end
#
# 91 VAL HN 92 GLU HN 6.00 (# 301:10 Unique 2.82, 2.88 A)
&rst
ixpk= 301, nxpk= 10, iat=1428,1444, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 93 ALA HN 92 GLU HN 4.50 (# 302:10 Unique 2.65, 2.72 A)
&rst
ixpk= 302, nxpk= 10, iat=1459,1444, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 105 LYS HG- 105 LYS HN 6.00 (# 303:10 Unique 2.38, 3.98 A)
&rst
ixpk= 303, nxpk= 10, iat= -1,1644, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1651,1652,
&end
#
# 85 GLY HN 84 PHE HN 4.50 (# 304:10 Unique 1.94, 2.14 A)
&rst
ixpk= 304, nxpk= 10, iat=1358,1338, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 83 PHE HA 84 PHE HN 3.50 (# 305:10 Unique 2.11, 2.20 A)
&rst
ixpk= 305, nxpk= 10, iat=1320,1338, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 84 PHE HB+ 84 PHE HN 4.50 (# 306:10 Unique 2.46, 2.68 A)
&rst
ixpk= 306, nxpk= 10, iat= -1,1338, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1342,1343,
&end
#
# 13 LYS HN 12 ASP HN 3.50 (# 307:10 Unique 2.88, 2.94 A)
&rst
ixpk= 307, nxpk= 10, iat= 188, 176, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 11 LEU HN 12 ASP HN 3.50 (# 309:10 Unique 2.83, 2.89 A)
&rst
ixpk= 309, nxpk= 10, iat= 157, 176, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 12 ASP HA 12 ASP HN 3.50 (# 310:10 Unique 2.79, 2.82 A)
&rst
ixpk= 310, nxpk= 10, iat= 178, 176, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:311 0 AMB 10-1:311 4.50 (# 311:10 Double Ambig)
&rst
ixpk= 311, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 131, 715, 716,
igr2= 176, 689,
&end
#
# 0 AMB 10-2:312 12 ASP HN 6.00 (# 312:10 Single Ambig)
&rst
ixpk= 312, nxpk= 10, iat= -1, 176, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 109, 159,
&end
#
# 12 ASP HB- 12 ASP HN 3.50 (# 313:10 Unique 2.44, 2.49 A)
&rst
ixpk= 313, nxpk= 10, iat= -1, 176, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 180, 181,
&end
#
# 12 ASP HB+ 12 ASP HN 3.50 (# 314:10 Unique 2.44, 2.49 A)
&rst
ixpk= 314, nxpk= 10, iat= -1, 176, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 180, 181,
&end
#
# 11 LEU HB+ 12 ASP HN 3.50 (# 315:10 Unique 2.45, 3.05 A)
&rst
ixpk= 315, nxpk= 10, iat= -1, 176, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 161, 162,
&end
#
# 0 AMB 10-2:316 0 AMB 10-1:316 8.00 (# 316:10 Double Ambig)
&rst
ixpk= 316, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3=14.54, r4=15.29,
igr1= 166, 167, 168, 170, 171, 172,1554,1555,1556,1558,
1559,1560,1032,1033,1034,1036,1037,1038,
igr2= 176, 689,
&end
#
# 11 LEU HB- 12 ASP HN 4.50 (# 317:10 Unique 2.45, 3.05 A)
&rst
ixpk= 317, nxpk= 10, iat= -1, 176, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 161, 162,
&end
#
# 43 LEU HB+ 44 LYS HN 3.50 (# 318:10 Unique 2.28, 2.90 A)
&rst
ixpk= 318, nxpk= 10, iat= -1, 689, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 674, 675,
&end
#
# 11 LEU MDY 12 ASP HN 6.00 (# 319:10 Unique 4.77, 5.66 A)
&rst
ixpk= 319, nxpk= 10, iat= -1, 176, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 166, 167, 168, 170, 171, 172,
&end
#
# 44 LYS HA 44 LYS HN 3.50 (# 320:10 Unique 2.79, 2.80 A)
&rst
ixpk= 320, nxpk= 10, iat= 691, 689, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 41 GLN HA 44 LYS HN 6.00 (# 321:10 Unique 3.41, 3.74 A)
&rst
ixpk= 321, nxpk= 10, iat= 636, 689, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:322 44 LYS HN 2.80 (# 322:10 Single Ambig)
&rst
ixpk= 322, nxpk= 10, iat= -1, 689, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 693, 694, 693, 694, 696, 697,
&end
#
# 44 LYS HG- 44 LYS HN 4.50 (# 323:10 Unique 2.40, 4.03 A)
&rst
ixpk= 323, nxpk= 10, iat= -1, 689, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 696, 697,
&end
#
# 0 AMB 10-2:324 44 LYS HN 2.80 (# 324:10 Single Ambig)
&rst
ixpk= 324, nxpk= 10, iat= -1, 689, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 670, 711,
&end
#
# 102 GLN HG+ 102 GLN HN 4.50 (# 325:10 Unique 2.37, 3.45 A)
&rst
ixpk= 325, nxpk= 10, iat= -1,1596, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1603,1604,
&end
#
# 30 PHE HB- 30 PHE HN 4.50 (# 326:10 Unique 2.54, 3.05 A)
&rst
ixpk= 326, nxpk= 10, iat= -1, 471, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 475, 476,
&end
#
# 30 PHE HB+ 30 PHE HN 6.00 (# 327:10 Unique 2.54, 3.05 A)
&rst
ixpk= 327, nxpk= 10, iat= -1, 471, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 475, 476,
&end
#
# 29 ASP HB- 30 PHE HN 4.50 (# 328:10 Unique 2.73, 3.55 A)
&rst
ixpk= 328, nxpk= 10, iat= -1, 471, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 463, 464,
&end
#
# 27 THR MG2 30 PHE HN 6.00 (# 329:10 Unique 2.12, 4.62 A)
&rst
ixpk= 329, nxpk= 10, iat= -1, 471, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1= 429, 430, 431,
&end
#
# 83 PHE HD 84 PHE HN 6.00 (# 330:10 Unique 3.37, 4.78 A)
&rst
ixpk= 330, nxpk= 10, iat= -1,1338, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1326,1334,
&end
#
# 79 ILE HA 84 PHE HN 8.00 (# 331:10 Unique 6.28, 6.69 A)
&rst
ixpk= 331, nxpk= 10, iat=1267,1338, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 103 VAL HN 102 GLN HN 4.50 (# 332:10 Unique 2.72, 2.79 A)
&rst
ixpk= 332, nxpk= 10, iat=1613,1596, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 101 GLU HN 102 GLN HN 3.50 (# 333:10 Unique 2.86, 2.95 A)
&rst
ixpk= 333, nxpk= 10, iat=1581,1596, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 102 GLN HG- 102 GLN HN 4.50 (# 334:10 Unique 2.37, 3.45 A)
&rst
ixpk= 334, nxpk= 10, iat= -1,1596, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1603,1604,
&end
#
# 0 AMB 10-2:335 102 GLN HN 2.80 (# 335:10 Single Ambig)
&rst
ixpk= 335, nxpk= 10, iat= -1,1596, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1600,1601,1600,1601,
&end
#
# 0 AMB 10-2:336 30 PHE HN 6.00 (# 336:10 Single Ambig)
&rst
ixpk= 336, nxpk= 10, iat= -1, 471, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1= 423, 479, 487,
&end
#
# 0 AMB 10-2:337 30 PHE HN 6.00 (# 337:10 Single Ambig)
&rst
ixpk= 337, nxpk= 10, iat= -1, 471, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 427, 501,
&end
#
# 29 ASP HA 30 PHE HN 6.00 (# 338:10 Unique 3.33, 3.52 A)
&rst
ixpk= 338, nxpk= 10, iat= 461, 471, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 31 PRO HD- 30 PHE HN 4.50 (# 339:10 Unique 2.81, 3.80 A)
&rst
ixpk= 339, nxpk= 10, iat= -1, 471, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 492, 493,
&end
#
# 30 PHE HA 30 PHE HN 3.50 (# 340:10 Unique 2.87, 2.97 A)
&rst
ixpk= 340, nxpk= 10, iat= 473, 471, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 29 ASP HN 30 PHE HN 2.80 (# 341:10 Unique 2.26, 2.45 A)
&rst
ixpk= 341, nxpk= 10, iat= 459, 471, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 80 ASP HA 80 ASP HN 3.50 (# 343:10 Unique 2.21, 2.31 A)
&rst
ixpk= 343, nxpk= 10, iat=1286,1284, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 82 GLU HN 79 ILE HN 6.00 (# 344:10 Unique 2.98, 3.13 A)
&rst
ixpk= 344, nxpk= 10, iat=1303,1265, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 78 TYR HA 79 ILE HN 2.80 (# 345:10 Unique 2.22, 2.28 A)
&rst
ixpk= 345, nxpk= 10, iat=1246,1265, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:346 79 ILE HN 4.50 (# 346:10 Single Ambig)
&rst
ixpk= 346, nxpk= 10, iat= -1,1265, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1=1275,1276,1271,1272,1273,
&end
#
# 0 AMB 10-2:347 79 ILE HN 6.00 (# 347:10 Single Ambig)
&rst
ixpk= 347, nxpk= 10, iat= -1,1265, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1338,1318,
&end
#
# 78 TYR HB- 79 ILE HN 6.00 (# 348:10 Unique 3.23, 4.14 A)
&rst
ixpk= 348, nxpk= 10, iat= -1,1265, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1248,1249,
&end
#
# 79 ILE HB 79 ILE HN 4.50 (# 349:10 Unique 2.96, 3.22 A)
&rst
ixpk= 349, nxpk= 10, iat=1269,1265, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:351 39 VAL HN 4.50 (# 351:10 Single Ambig)
&rst
ixpk= 351, nxpk= 10, iat= -1, 602, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 588, 618,
&end
#
# 39 VAL MGX 39 VAL HN 6.00 (# 352:10 Unique 2.27, 3.86 A)
&rst
ixpk= 352, nxpk= 10, iat= -1, 602, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 608, 609, 610, 612, 613, 614,
&end
#
# 39 VAL MGY 39 VAL HN 3.50 (# 353:10 Unique 2.27, 3.86 A)
&rst
ixpk= 353, nxpk= 10, iat= -1, 602, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 608, 609, 610, 612, 613, 614,
&end
#
# 39 VAL HB 39 VAL HN 4.50 (# 354:10 Unique 2.31, 2.55 A)
&rst
ixpk= 354, nxpk= 10, iat= 606, 602, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 79 ILE QG2 80 ASP HN 4.50 (# 356:10 Unique 2.29, 3.61 A)
&rst
ixpk= 356, nxpk= 10, iat= -1,1284, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1271,1272,1273,
&end
#
# 79 ILE HA 80 ASP HN 3.50 (# 357:10 Unique 2.05, 2.15 A)
&rst
ixpk= 357, nxpk= 10, iat=1267,1284, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 74 PHE HD 76 GLN HN 6.00 (# 358:10 Unique 2.94, 5.41 A)
&rst
ixpk= 358, nxpk= 10, iat= -1,1208, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1182,1190,
&end
#
# 75 PRO HA 76 GLN HN 6.00 (# 359:10 Unique 2.21, 2.36 A)
&rst
ixpk= 359, nxpk= 10, iat=1204,1208, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 17 SER HA 18 HIS HN 6.00 (# 360:10 Unique 3.53, 3.59 A)
&rst
ixpk= 360, nxpk= 10, iat= 258, 267, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:361 18 HIS HN 6.00 (# 361:10 Single Ambig)
&rst
ixpk= 361, nxpk= 10, iat= -1, 267, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1= 260, 261, 212,
&end
#
# 24 MET HA 25 LYS HN 6.00 (# 367:10 Unique 2.28, 2.55 A)
&rst
ixpk= 367, nxpk= 10, iat= 379, 394, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:369 0 AMB 10-1:369 4.50 (# 369:10 Double Ambig)
&rst
ixpk= 369, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 388, 389, 390, 699, 700, 699, 700, 726, 727,
igr2= 394, 711,
&end
#
# 45 SER HA 45 SER HN 2.80 (# 370:10 Unique 2.83, 2.85 A)
&rst
ixpk= 370, nxpk= 10, iat= 713, 711, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:371 45 SER HN 3.50 (# 371:10 Single Ambig)
&rst
ixpk= 371, nxpk= 10, iat= -1, 711, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 693, 694, 693, 694,
&end
#
# 46 LEU HN 45 SER HN 3.50 (# 372:10 Unique 2.79, 2.83 A)
&rst
ixpk= 372, nxpk= 10, iat= 722, 711, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 45 SER HB- 45 SER HN 2.80 (# 373:10 Unique 2.38, 3.07 A)
&rst
ixpk= 373, nxpk= 10, iat= -1, 711, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 715, 716,
&end
#
# 41 GLN HA 45 SER HN 6.00 (# 374:10 Unique 3.54, 3.75 A)
&rst
ixpk= 374, nxpk= 10, iat= 636, 711, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 17 SER HN 18 HIS HN 3.50 (# 375:10 Unique 2.59, 2.72 A)
&rst
ixpk= 375, nxpk= 10, iat= 256, 267, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 18 HIS HB+ 18 HIS HN 6.00 (# 376:10 Unique 2.42, 3.16 A)
&rst
ixpk= 376, nxpk= 10, iat= -1, 267, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 271, 272,
&end
#
# 18 HIS HB- 18 HIS HN 6.00 (# 377:10 Unique 2.42, 3.16 A)
&rst
ixpk= 377, nxpk= 10, iat= -1, 267, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 271, 272,
&end
#
# 0 AMB 10-2:378 18 HIS HN 4.50 (# 378:10 Single Ambig)
&rst
ixpk= 378, nxpk= 10, iat= -1, 267, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 269, 244,
&end
#
# 21 VAL MGY 18 HIS HN 6.00 (# 379:10 Unique 4.38, 6.32 A)
&rst
ixpk= 379, nxpk= 10, iat= -1, 267, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 328, 329, 330, 332, 333, 334,
&end
#
# 85 GLY HA- 86 GLY HN 6.00 (# 380:10 Unique 2.09, 2.57 A)
&rst
ixpk= 380, nxpk= 10, iat= -1,1365, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1360,1361,
&end
#
# 89 ILE QD1 86 GLY HN 6.00 (# 381:10 Unique 1.85, 4.00 A)
&rst
ixpk= 381, nxpk= 10, iat= -1,1365, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1=1408,1409,1410,
&end
#
# 85 GLY HA+ 86 GLY HN 6.00 (# 382:10 Unique 2.09, 2.57 A)
&rst
ixpk= 382, nxpk= 10, iat= -1,1365, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1360,1361,
&end
#
# 44 LYS HN 45 SER HN 4.50 (# 385:10 Unique 2.88, 2.97 A)
&rst
ixpk= 385, nxpk= 10, iat= 689, 711, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 66 LYS HB+ 66 LYS HN 4.50 (# 386:10 Unique 2.34, 2.86 A)
&rst
ixpk= 386, nxpk= 10, iat= -1,1042, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1046,1047,
&end
#
# 66 LYS HA 66 LYS HN 6.00 (# 387:10 Unique 2.27, 2.84 A)
&rst
ixpk= 387, nxpk= 10, iat=1044,1042, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 65 LEU HB+ 66 LYS HN 3.50 (# 388:10 Unique 1.99, 3.37 A)
&rst
ixpk= 388, nxpk= 10, iat= -1,1042, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1027,1028,
&end
#
# 0 AMB 10-2:389 66 LYS HN 6.00 (# 389:10 Single Ambig)
&rst
ixpk= 389, nxpk= 10, iat= -1,1042, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1068,1069,1068,1069,1003,1004,
&end
#
# 77 LEU HA 78 TYR HN 3.50 (# 390:10 Unique 2.11, 2.16 A)
&rst
ixpk= 390, nxpk= 10, iat=1227,1244, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 41 GLN HG- 41 GLN HN 4.50 (# 392:10 Unique 2.48, 4.09 A)
&rst
ixpk= 392, nxpk= 10, iat= -1, 634, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 641, 642,
&end
#
# 107 MET HB+ 108 CYS HN 4.50 (# 394:10 Unique 2.45, 3.13 A)
&rst
ixpk= 394, nxpk= 10, iat= -1,1693, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1680,1681,
&end
#
# 107 MET HN 108 CYS HN 4.50 (# 395:10 Unique 2.54, 2.68 A)
&rst
ixpk= 395, nxpk= 10, iat=1676,1693, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 108 CYS HA 108 CYS HN 4.50 (# 397:10 Unique 2.84, 2.90 A)
&rst
ixpk= 397, nxpk= 10, iat=1695,1693, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:398 108 CYS HN 4.50 (# 398:10 Single Ambig)
&rst
ixpk= 398, nxpk= 10, iat= -1,1693, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1697,1698,1697,1698,
&end
#
# 0 AMB 10-2:399 4 THR HN 3.50 (# 399:10 Single Ambig)
&rst
ixpk= 399, nxpk= 10, iat= -1, 50, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 40, 41, 42, 44, 45, 46, 40, 41, 42, 44,
45, 46, 946, 947, 948, 950, 951, 952, 946, 947,
948, 950, 951, 952,
&end
#
# 3 LEU HA 4 THR HN 3.50 (# 400:10 Unique 2.18, 2.94 A)
&rst
ixpk= 400, nxpk= 10, iat= 33, 50, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:401 4 THR HN 4.50 (# 401:10 Single Ambig)
&rst
ixpk= 401, nxpk= 10, iat= -1, 50, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 35, 36, 92, 93,
&end
#
# 0 AMB 10-2:402 4 THR HN 6.00 (# 402:10 Single Ambig)
&rst
ixpk= 402, nxpk= 10, iat= -1, 50, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 92, 93, 114, 115,
&end
#
# 3 LEU HB- 4 THR HN 6.00 (# 403:10 Unique 1.90, 3.52 A)
&rst
ixpk= 403, nxpk= 10, iat= -1, 50, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 35, 36,
&end
#
# 4 THR MG2 4 THR HN 3.50 (# 404:10 Unique 2.04, 3.46 A)
&rst
ixpk= 404, nxpk= 10, iat= -1, 50, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 56, 57, 58,
&end
#
# 0 AMB 10-2:406 4 THR HN 3.50 (# 406:10 Single Ambig)
&rst
ixpk= 406, nxpk= 10, iat= -1, 50, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 52, 54,
&end
#
# 16 THR HN 17 SER HN 3.50 (# 407:10 Unique 2.29, 2.55 A)
&rst
ixpk= 407, nxpk= 10, iat= 242, 256, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 18 HIS HN 17 SER HN 3.50 (# 408:10 Unique 2.59, 2.72 A)
&rst
ixpk= 408, nxpk= 10, iat= 267, 256, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 16 THR HA 17 SER HN 4.50 (# 409:10 Unique 3.52, 3.57 A)
&rst
ixpk= 409, nxpk= 10, iat= 244, 256, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 17 SER HA 17 SER HN 4.50 (# 410:10 Unique 2.86, 2.90 A)
&rst
ixpk= 410, nxpk= 10, iat= 258, 256, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 15 VAL HA 17 SER HN 6.00 (# 411:10 Unique 4.34, 4.63 A)
&rst
ixpk= 411, nxpk= 10, iat= 228, 256, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:412 17 SER HN 2.80 (# 412:10 Single Ambig)
&rst
ixpk= 412, nxpk= 10, iat= -1, 256, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 260, 261, 212,
&end
#
# 100 GLN HN 101 GLU HN 4.50 (# 413:10 Unique 2.81, 2.88 A)
&rst
ixpk= 413, nxpk= 10, iat=1564,1581, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 102 GLN HN 101 GLU HN 3.50 (# 414:10 Unique 2.86, 2.95 A)
&rst
ixpk= 414, nxpk= 10, iat=1596,1581, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 101 GLU HA 101 GLU HN 2.80 (# 415:10 Unique 2.80, 2.82 A)
&rst
ixpk= 415, nxpk= 10, iat=1583,1581, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 100 GLN HG+ 101 GLU HN 6.00 (# 416:10 Unique 2.57, 4.30 A)
&rst
ixpk= 416, nxpk= 10, iat= -1,1581, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1571,1572,
&end
#
# 101 GLU HG+ 101 GLU HN 4.50 (# 417:10 Unique 2.64, 4.39 A)
&rst
ixpk= 417, nxpk= 10, iat= -1,1581, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1588,1589,
&end
#
# 0 AMB 10-2:418 101 GLU HN 2.80 (# 418:10 Single Ambig)
&rst
ixpk= 418, nxpk= 10, iat= -1,1581, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1585,1586,1585,1586,1568,1569,
&end
#
# 0 AMB 10-2:419 101 GLU HN 4.50 (# 419:10 Single Ambig)
&rst
ixpk= 419, nxpk= 10, iat= -1,1581, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1566,1547,
&end
#
# 67 GLU HN 66 LYS HN 4.50 (# 420:10 Unique 2.62, 2.82 A)
&rst
ixpk= 420, nxpk= 10, iat=1064,1042, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:421 78 TYR HN 3.50 (# 421:10 Single Ambig)
&rst
ixpk= 421, nxpk= 10, iat= -1,1244, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1232,1275,1276,
&end
#
# 78 TYR HB+ 78 TYR HN 6.00 (# 422:10 Unique 2.37, 2.85 A)
&rst
ixpk= 422, nxpk= 10, iat= -1,1244, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1248,1249,
&end
#
# 77 LEU MDY 78 TYR HN 6.00 (# 423:10 Unique 1.95, 4.35 A)
&rst
ixpk= 423, nxpk= 10, iat= -1,1244, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1234,1235,1236,1238,1239,1240,
&end
#
# 42 ILE HB 41 GLN HN 6.00 (# 424:10 Unique 4.47, 4.61 A)
&rst
ixpk= 424, nxpk= 10, iat= 655, 634, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:425 0 AMB 10-1:425 3.50 (# 425:10 Double Ambig)
&rst
ixpk= 425, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 818, 819, 636,
igr2= 437, 634,
&end
#
# 0 AMB 10-2:426 41 GLN HN 2.80 (# 426:10 Single Ambig)
&rst
ixpk= 426, nxpk= 10, iat= -1, 634, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 638, 639, 622,
&end
#
# 41 GLN HB- 41 GLN HN 3.50 (# 427:10 Unique 2.32, 2.63 A)
&rst
ixpk= 427, nxpk= 10, iat= -1, 634, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 638, 639,
&end
#
# 40 VAL MGY 41 GLN HN 3.50 (# 428:10 Unique 2.53, 4.31 A)
&rst
ixpk= 428, nxpk= 10, iat= -1, 634, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 624, 625, 626, 628, 629, 630,
&end
#
# 42 ILE HN 41 GLN HN 6.00 (# 429:10 Unique 2.70, 2.75 A)
&rst
ixpk= 429, nxpk= 10, iat= 651, 634, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 68 TYR HN 67 GLU HN 4.50 (# 430:10 Unique 2.42, 2.65 A)
&rst
ixpk= 430, nxpk= 10, iat=1079,1064, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 67 GLU HG+ 67 GLU HN 4.50 (# 431:10 Unique 2.17, 3.53 A)
&rst
ixpk= 431, nxpk= 10, iat= -1,1064, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1071,1072,
&end
#
# 0 AMB 10-2:432 67 GLU HN 2.80 (# 432:10 Single Ambig)
&rst
ixpk= 432, nxpk= 10, iat= -1,1064, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1068,1069,1068,1069,
&end
#
# 66 LYS HB- 67 GLU HN 4.50 (# 433:10 Unique 2.36, 3.32 A)
&rst
ixpk= 433, nxpk= 10, iat= -1,1064, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1046,1047,
&end
#
# 0 AMB 10-2:434 67 GLU HN 8.00 (# 434:10 Single Ambig)
&rst
ixpk= 434, nxpk= 10, iat= -1,1064, r1= 0.00, r2= 1.80, r3=12.27, r4=13.02,
igr1= 40, 41, 42, 44, 45, 46, 40, 41, 42, 44,
45, 46, 38,
&end
#
# 66 LYS HN 67 GLU HN 3.50 (# 435:10 Unique 2.62, 2.82 A)
&rst
ixpk= 435, nxpk= 10, iat=1042,1064, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 67 GLU HA 67 GLU HN 4.50 (# 436:10 Unique 2.85, 2.91 A)
&rst
ixpk= 436, nxpk= 10, iat=1066,1064, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:437 67 GLU HN 6.00 (# 437:10 Single Ambig)
&rst
ixpk= 437, nxpk= 10, iat= -1,1064, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1025,1081,
&end
#
# 66 LYS HB+ 67 GLU HN 6.00 (# 438:10 Unique 2.36, 3.32 A)
&rst
ixpk= 438, nxpk= 10, iat= -1,1064, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1046,1047,
&end
#
# 0 AMB 10-2:439 28 LYS HN 3.50 (# 439:10 Single Ambig)
&rst
ixpk= 439, nxpk= 10, iat= -1, 437, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1= 444, 445, 429, 430, 431,
&end
#
# 28 LYS HB+ 28 LYS HN 6.00 (# 440:10 Unique 2.25, 2.70 A)
&rst
ixpk= 440, nxpk= 10, iat= -1, 437, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 441, 442,
&end
#
# 28 LYS HB- 28 LYS HN 6.00 (# 441:10 Unique 2.25, 2.70 A)
&rst
ixpk= 441, nxpk= 10, iat= -1, 437, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 441, 442,
&end
#
# 81 GLY HA+ 81 GLY HN 3.50 (# 442:10 Unique 2.30, 2.74 A)
&rst
ixpk= 442, nxpk= 10, iat= -1,1296, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1298,1299,
&end
#
# 82 GLU HN 81 GLY HN 4.50 (# 443:10 Unique 1.66, 2.20 A)
&rst
ixpk= 443, nxpk= 10, iat=1303,1296, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 80 ASP HA 81 GLY HN 3.50 (# 444:10 Unique 2.16, 3.04 A)
&rst
ixpk= 444, nxpk= 10, iat=1286,1296, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 81 GLY HA- 81 GLY HN 3.50 (# 445:10 Unique 2.30, 2.74 A)
&rst
ixpk= 445, nxpk= 10, iat= -1,1296, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1298,1299,
&end
#
# 27 THR HB 28 LYS HN 3.50 (# 446:10 Unique 1.94, 2.45 A)
&rst
ixpk= 446, nxpk= 10, iat= 427, 437, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:448 0 AMB 10-1:448 6.00 (# 448:10 Double Ambig)
&rst
ixpk= 448, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 571, 814,
igr2= 588, 437,
&end
#
# 0 AMB 10-2:449 0 AMB 10-1:449 3.50 (# 449:10 Double Ambig)
&rst
ixpk= 449, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 594, 595, 596, 624, 625, 626, 628, 629, 630,1434,
1435,1436,1438,1439,1440,
igr2= 588, 437,
&end
#
# 55 ILE HN 56 LEU HN 6.00 (# 450:10 Unique 2.56, 2.91 A)
&rst
ixpk= 450, nxpk= 10, iat= 855, 874, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 56 LEU HB- 56 LEU HN 4.50 (# 451:10 Unique 2.12, 2.95 A)
&rst
ixpk= 451, nxpk= 10, iat= -1, 874, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 878, 879,
&end
#
# 57 GLU HN 56 LEU HN 6.00 (# 452:10 Unique 2.30, 2.95 A)
&rst
ixpk= 452, nxpk= 10, iat= 893, 874, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 56 LEU HA 56 LEU HN 4.50 (# 453:10 Unique 2.24, 2.89 A)
&rst
ixpk= 453, nxpk= 10, iat= 876, 874, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:454 56 LEU HN 3.50 (# 454:10 Single Ambig)
&rst
ixpk= 454, nxpk= 10, iat= -1, 874, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 878, 879, 960, 961, 960, 961,
&end
#
# 0 AMB 10-2:455 56 LEU HN 6.00 (# 455:10 Single Ambig)
&rst
ixpk= 455, nxpk= 10, iat= -1, 874, r1= 0.00, r2= 1.80, r3= 7.85, r4= 8.60,
igr1= 881, 401, 402, 401, 402,
&end
#
# 0 AMB 10-2:456 56 LEU HN 4.50 (# 456:10 Single Ambig)
&rst
ixpk= 456, nxpk= 10, iat= -1, 874, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 865, 866, 883, 884, 885, 887, 888, 889,
&end
#
# 39 VAL HN 38 THR HN 6.00 (# 457:10 Unique 2.77, 2.87 A)
&rst
ixpk= 457, nxpk= 10, iat= 602, 588, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 38 THR HB 38 THR HN 2.80 (# 458:10 Unique 2.49, 2.65 A)
&rst
ixpk= 458, nxpk= 10, iat= 592, 588, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:459 38 THR HN 3.50 (# 459:10 Single Ambig)
&rst
ixpk= 459, nxpk= 10, iat= -1, 588, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 590, 535, 536,
&end
#
# 0 AMB 10-2:460 38 THR HN 3.50 (# 460:10 Single Ambig)
&rst
ixpk= 460, nxpk= 10, iat= -1, 588, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 575, 576, 578, 579,
&end
#
# 37 GLN HB- 38 THR HN 4.50 (# 461:10 Unique 2.28, 3.18 A)
&rst
ixpk= 461, nxpk= 10, iat= -1, 588, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 575, 576,
&end
#
# 73 THR HA 74 PHE HN 6.00 (# 463:10 Unique 2.06, 2.23 A)
&rst
ixpk= 463, nxpk= 10, iat=1162,1174, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 73 THR HB 74 PHE HN 6.00 (# 464:10 Unique 2.09, 3.28 A)
&rst
ixpk= 464, nxpk= 10, iat=1164,1174, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 73 THR HG1 74 PHE HN 4.50 (# 465:10 Unique 4.01, 4.34 A)
&rst
ixpk= 465, nxpk= 10, iat=1170,1174, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 73 THR MG2 74 PHE HN 6.00 (# 466:10 Unique 2.48, 4.30 A)
&rst
ixpk= 466, nxpk= 10, iat= -1,1174, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1=1166,1167,1168,
&end
#
# 48 ALA HN 47 ASN HN 2.80 (# 467:10 Unique 1.87, 2.23 A)
&rst
ixpk= 467, nxpk= 10, iat= 755, 741, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 46 LEU HN 47 ASN HN 3.50 (# 468:10 Unique 2.56, 2.62 A)
&rst
ixpk= 468, nxpk= 10, iat= 722, 741, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 47 ASN HA 47 ASN HN 2.80 (# 469:10 Unique 2.29, 2.36 A)
&rst
ixpk= 469, nxpk= 10, iat= 743, 741, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 47 ASN HB- 47 ASN HN 4.50 (# 470:10 Unique 3.52, 3.81 A)
&rst
ixpk= 470, nxpk= 10, iat= -1, 741, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 745, 746,
&end
#
# 46 LEU HB- 47 ASN HN 6.00 (# 471:10 Unique 2.43, 3.28 A)
&rst
ixpk= 471, nxpk= 10, iat= -1, 741, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 726, 727,
&end
#
# 48 ALA MB 47 ASN HN 6.00 (# 472:10 Unique 3.65, 4.42 A)
&rst
ixpk= 472, nxpk= 10, iat= -1, 741, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1= 759, 760, 761,
&end
#
# 47 ASN HB+ 47 ASN HN 4.50 (# 473:10 Unique 3.52, 3.81 A)
&rst
ixpk= 473, nxpk= 10, iat= -1, 741, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 745, 746,
&end
#
# 46 LEU HB+ 47 ASN HN 6.00 (# 474:10 Unique 2.43, 3.28 A)
&rst
ixpk= 474, nxpk= 10, iat= -1, 741, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 726, 727,
&end
#
# 26 GLY HA+ 26 GLY HN 6.00 (# 475:10 Unique 2.29, 2.73 A)
&rst
ixpk= 475, nxpk= 10, iat= -1, 416, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 418, 419,
&end
#
# 25 LYS HA 26 GLY HN 3.50 (# 476:10 Unique 2.83, 3.31 A)
&rst
ixpk= 476, nxpk= 10, iat= 396, 416, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:477 26 GLY HN 6.00 (# 477:10 Single Ambig)
&rst
ixpk= 477, nxpk= 10, iat= -1, 416, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 401, 402, 401, 402,
&end
#
# 26 GLY HA- 26 GLY HN 6.00 (# 478:10 Unique 2.29, 2.73 A)
&rst
ixpk= 478, nxpk= 10, iat= -1, 416, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 418, 419,
&end
#
# 50 PHE HD 50 PHE HN 4.50 (# 479:10 Unique 2.09, 3.76 A)
&rst
ixpk= 479, nxpk= 10, iat= -1, 779, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 787, 795,
&end
#
# 50 PHE HA 50 PHE HN 4.50 (# 480:10 Unique 2.78, 2.90 A)
&rst
ixpk= 480, nxpk= 10, iat= 781, 779, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 49 PRO HA 50 PHE HN 2.80 (# 481:10 Unique 2.19, 2.43 A)
&rst
ixpk= 481, nxpk= 10, iat= 775, 779, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 49 PRO HB+ 50 PHE HN 4.50 (# 482:10 Unique 2.21, 3.48 A)
&rst
ixpk= 482, nxpk= 10, iat= -1, 779, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 772, 773,
&end
#
# 50 PHE HB- 50 PHE HN 6.00 (# 483:10 Unique 2.28, 3.51 A)
&rst
ixpk= 483, nxpk= 10, iat= -1, 779, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 783, 784,
&end
#
# 49 PRO HB- 50 PHE HN 4.50 (# 484:10 Unique 2.21, 3.48 A)
&rst
ixpk= 484, nxpk= 10, iat= -1, 779, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 772, 773,
&end
#
# 57 GLU HB- 58 ASN HN 6.00 (# 485:10 Unique 2.27, 3.44 A)
&rst
ixpk= 485, nxpk= 10, iat= -1, 908, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 897, 898,
&end
#
# 0 AMB 10-2:486 58 ASN HN 6.00 (# 486:10 Single Ambig)
&rst
ixpk= 486, nxpk= 10, iat= -1, 908, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 857, 924,
&end
#
# 58 ASN HB+ 58 ASN HN 4.50 (# 487:10 Unique 2.35, 3.01 A)
&rst
ixpk= 487, nxpk= 10, iat= -1, 908, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 912, 913,
&end
#
# 57 GLU HA 58 ASN HN 6.00 (# 488:10 Unique 3.46, 3.55 A)
&rst
ixpk= 488, nxpk= 10, iat= 895, 908, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 58 ASN HB- 58 ASN HN 6.00 (# 489:10 Unique 2.35, 3.01 A)
&rst
ixpk= 489, nxpk= 10, iat= -1, 908, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 912, 913,
&end
#
# 52 SER HA 22 LEU HN 6.00 (# 490:10 Unique 2.28, 2.86 A)
&rst
ixpk= 490, nxpk= 10, iat= 816, 338, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 21 VAL HA 22 LEU HN 2.80 (# 491:10 Unique 2.09, 2.16 A)
&rst
ixpk= 491, nxpk= 10, iat= 324, 338, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:492 22 LEU HN 3.50 (# 492:10 Single Ambig)
&rst
ixpk= 492, nxpk= 10, iat= -1, 338, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 342, 343, 328, 329, 330, 332, 333, 334,
&end
#
# 22 LEU HB+ 22 LEU HN 4.50 (# 493:10 Unique 2.23, 2.79 A)
&rst
ixpk= 493, nxpk= 10, iat= -1, 338, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 342, 343,
&end
#
# 21 VAL MGX 22 LEU HN 4.50 (# 494:10 Unique 2.48, 4.28 A)
&rst
ixpk= 494, nxpk= 10, iat= -1, 338, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 328, 329, 330, 332, 333, 334,
&end
#
# 0 AMB 10-2:495 50 PHE HN 6.00 (# 495:10 Single Ambig)
&rst
ixpk= 495, nxpk= 10, iat= -1, 779, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 450, 451, 769, 770,
&end
#
# 0 AMB 10-2:497 58 ASN HN 4.50 (# 497:10 Single Ambig)
&rst
ixpk= 497, nxpk= 10, iat= -1, 908, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 897, 898, 900, 901, 900, 901,
&end
#
# 0 AMB 10-2:498 58 ASN HN 6.00 (# 498:10 Single Ambig)
&rst
ixpk= 498, nxpk= 10, iat= -1, 908, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 960, 961, 960, 961,
&end
#
# 0 AMB 10-2:499 107 MET HN 3.50 (# 499:10 Single Ambig)
&rst
ixpk= 499, nxpk= 10, iat= -1,1676, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1693,1666,
&end
#
# 107 MET HA 107 MET HN 3.50 (# 500:10 Unique 2.86, 2.91 A)
&rst
ixpk= 500, nxpk= 10, iat=1678,1676, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 107 MET HG- 107 MET HN 4.50 (# 501:10 Unique 2.34, 3.16 A)
&rst
ixpk= 501, nxpk= 10, iat= -1,1676, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1683,1684,
&end
#
# 107 MET HB+ 107 MET HN 2.80 (# 502:10 Unique 2.24, 2.98 A)
&rst
ixpk= 502, nxpk= 10, iat= -1,1676, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1680,1681,
&end
#
# 106 ALA MB 107 MET HN 3.50 (# 503:10 Unique 2.56, 3.53 A)
&rst
ixpk= 503, nxpk= 10, iat= -1,1676, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1670,1671,1672,
&end
#
# 56 LEU HA 57 GLU HN 6.00 (# 504:10 Unique 2.33, 3.24 A)
&rst
ixpk= 504, nxpk= 10, iat= 876, 893, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 57 GLU HB- 57 GLU HN 4.50 (# 505:10 Unique 2.24, 2.79 A)
&rst
ixpk= 505, nxpk= 10, iat= -1, 893, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 897, 898,
&end
#
# 56 LEU HN 57 GLU HN 4.50 (# 506:10 Unique 2.30, 2.95 A)
&rst
ixpk= 506, nxpk= 10, iat= 874, 893, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 58 ASN HN 57 GLU HN 4.50 (# 507:10 Unique 2.59, 2.86 A)
&rst
ixpk= 507, nxpk= 10, iat= 908, 893, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 57 GLU HA 57 GLU HN 4.50 (# 508:10 Unique 2.22, 2.78 A)
&rst
ixpk= 508, nxpk= 10, iat= 895, 893, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:509 57 GLU HN 2.80 (# 509:10 Single Ambig)
&rst
ixpk= 509, nxpk= 10, iat= -1, 893, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 897, 898, 900, 901, 900, 901,
&end
#
# 71 TRP HD1 71 TRP HE1 3.50 (# 511:10 Unique 2.54, 2.55 A)
&rst
ixpk= 511, nxpk= 10, iat=1130,1132, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 39 VAL MGY 77 LEU HN 6.00 (# 512:10 Unique 4.20, 6.59 A)
&rst
ixpk= 512, nxpk= 10, iat= -1,1225, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 608, 609, 610, 612, 613, 614,
&end
#
# 106 ALA HA 107 MET HN 6.00 (# 513:10 Unique 3.54, 3.59 A)
&rst
ixpk= 513, nxpk= 10, iat=1668,1676, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 104 GLU HA 107 MET HN 6.00 (# 515:10 Unique 3.24, 3.45 A)
&rst
ixpk= 515, nxpk= 10, iat=1631,1676, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:516 23 PHE HN 2.80 (# 516:10 Single Ambig)
&rst
ixpk= 516, nxpk= 10, iat= -1, 357, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 340, 359,
&end
#
# 0 AMB 10-2:517 23 PHE HN 3.50 (# 517:10 Single Ambig)
&rst
ixpk= 517, nxpk= 10, iat= -1, 357, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 347, 348, 349, 351, 352, 353, 347, 348, 349, 351,
352, 353,
&end
#
# 23 PHE HD 23 PHE HN 6.00 (# 518:10 Unique 2.44, 3.92 A)
&rst
ixpk= 518, nxpk= 10, iat= -1, 357, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 365, 373,
&end
#
# 23 PHE HB+ 23 PHE HN 6.00 (# 519:10 Unique 2.38, 3.05 A)
&rst
ixpk= 519, nxpk= 10, iat= -1, 357, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 361, 362,
&end
#
# 76 GLN HA 77 LEU HN 3.50 (# 520:10 Unique 2.14, 2.20 A)
&rst
ixpk= 520, nxpk= 10, iat=1210,1225, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 77 LEU HB- 77 LEU HN 6.00 (# 521:10 Unique 2.30, 2.58 A)
&rst
ixpk= 521, nxpk= 10, iat= -1,1225, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1229,1230,
&end
#
# 9 THR HB 9 THR HN 2.80 (# 523:10 Unique 2.24, 2.44 A)
&rst
ixpk= 523, nxpk= 10, iat= 133, 129, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 9 THR MG2 9 THR HN 3.50 (# 524:10 Unique 4.16, 4.42 A)
&rst
ixpk= 524, nxpk= 10, iat= -1, 129, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 135, 136, 137,
&end
#
# 8 LYS HN 9 THR HN 4.50 (# 525:10 Unique 2.77, 2.85 A)
&rst
ixpk= 525, nxpk= 10, iat= 107, 129, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 10 THR HN 9 THR HN 4.50 (# 526:10 Unique 2.71, 2.80 A)
&rst
ixpk= 526, nxpk= 10, iat= 143, 129, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 9 THR HA 9 THR HN 3.50 (# 527:10 Unique 2.78, 2.82 A)
&rst
ixpk= 527, nxpk= 10, iat= 131, 129, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 8 LYS HA 9 THR HN 6.00 (# 528:10 Unique 3.55, 3.58 A)
&rst
ixpk= 528, nxpk= 10, iat= 109, 129, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 8 LYS HB- 9 THR HN 3.50 (# 529:10 Unique 2.58, 3.21 A)
&rst
ixpk= 529, nxpk= 10, iat= -1, 129, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 111, 112,
&end
#
# 0 AMB 10-2:530 9 THR HN 6.00 (# 530:10 Single Ambig)
&rst
ixpk= 530, nxpk= 10, iat= -1, 129, r1= 0.00, r2= 1.80, r3=10.33, r4=11.08,
igr1= 95, 40, 41, 42, 44, 45, 46, 40, 41, 42,
44, 45, 46, 38, 946, 947, 948, 950, 951, 952,
946, 947, 948, 950, 951, 952,
&end
#
# 71 TRP HN 70 SER HN 3.50 (# 531:10 Unique 2.03, 2.84 A)
&rst
ixpk= 531, nxpk= 10, iat=1122,1111, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 70 SER HB+ 70 SER HN 3.50 (# 532:10 Unique 3.11, 3.82 A)
&rst
ixpk= 532, nxpk= 10, iat= -1,1111, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1115,1116,
&end
#
# 70 SER HA 70 SER HN 2.80 (# 533:10 Unique 2.23, 2.30 A)
&rst
ixpk= 533, nxpk= 10, iat=1113,1111, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 69 SER HN 70 SER HN 4.50 (# 534:10 Unique 2.31, 2.53 A)
&rst
ixpk= 534, nxpk= 10, iat=1100,1111, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:535 70 SER HN 3.50 (# 535:10 Single Ambig)
&rst
ixpk= 535, nxpk= 10, iat= -1,1111, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1102,1066,
&end
#
# 83 PHE HD 83 PHE HN 6.00 (# 536:10 Unique 2.03, 3.47 A)
&rst
ixpk= 536, nxpk= 10, iat= -1,1318, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1326,1334,
&end
#
# 8 LYS HB+ 9 THR HN 4.50 (# 537:10 Unique 2.58, 3.21 A)
&rst
ixpk= 537, nxpk= 10, iat= -1, 129, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 111, 112,
&end
#
# 83 PHE HZ 83 PHE HN 6.00 (# 538:10 Unique 5.48, 5.78 A)
&rst
ixpk= 538, nxpk= 10, iat=1330,1318, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 82 GLU HA 83 PHE HN 2.80 (# 539:10 Unique 2.15, 2.27 A)
&rst
ixpk= 539, nxpk= 10, iat=1305,1318, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 83 PHE HA 83 PHE HN 4.50 (# 540:10 Unique 2.87, 2.92 A)
&rst
ixpk= 540, nxpk= 10, iat=1320,1318, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 83 PHE HB+ 83 PHE HN 3.50 (# 541:10 Unique 2.37, 3.13 A)
&rst
ixpk= 541, nxpk= 10, iat= -1,1318, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1322,1323,
&end
#
# 82 GLU HB+ 83 PHE HN 4.50 (# 542:10 Unique 2.57, 3.63 A)
&rst
ixpk= 542, nxpk= 10, iat= -1,1318, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1307,1308,
&end
#
# 83 PHE HB- 83 PHE HN 3.50 (# 543:10 Unique 2.37, 3.13 A)
&rst
ixpk= 543, nxpk= 10, iat= -1,1318, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1322,1323,
&end
#
# 82 GLU HB- 83 PHE HN 6.00 (# 544:10 Unique 2.57, 3.63 A)
&rst
ixpk= 544, nxpk= 10, iat= -1,1318, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1307,1308,
&end
#
# 20 VAL HA 21 VAL HN 2.80 (# 545:10 Unique 2.12, 2.19 A)
&rst
ixpk= 545, nxpk= 10, iat= 308, 322, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:546 21 VAL HN 3.50 (# 546:10 Single Ambig)
&rst
ixpk= 546, nxpk= 10, iat= -1, 322, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 312, 313, 314, 316, 317, 318,1275,1276,
&end
#
# 58 ASN HB+ 58 ASN HD2+ 6.00 (# 547:10 Unique 2.22, 3.31 A)
&rst
ixpk= 547, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 912, 913,
igr2= 917, 918,
&end
#
# 61 LEU MDY 58 ASN HD2+ 6.00 (# 548:10 Unique 2.72, 6.53 A)
&rst
ixpk= 548, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 965, 966, 967, 969, 970, 971,
igr2= 917, 918,
&end
#
# 58 ASN HB- 58 ASN HD2+ 4.50 (# 551:10 Unique 2.22, 3.31 A)
&rst
ixpk= 551, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 912, 913,
igr2= 917, 918,
&end
#
# 47 ASN HA 47 ASN HD2+ 6.00 (# 553:10 Unique 2.37, 4.33 A)
&rst
ixpk= 553, nxpk= 10, iat= 743, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 750, 751,
&end
#
# 47 ASN HB- 47 ASN HD2+ 3.50 (# 554:10 Unique 2.32, 3.22 A)
&rst
ixpk= 554, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 745, 746,
igr2= 750, 751,
&end
#
# 47 ASN HB+ 47 ASN HD2- 6.00 (# 556:10 Unique 2.32, 3.22 A)
&rst
ixpk= 556, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 745, 746,
igr2= 750, 751,
&end
#
# 47 ASN HB- 47 ASN HD2- 4.50 (# 558:10 Unique 2.32, 3.22 A)
&rst
ixpk= 558, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 745, 746,
igr2= 750, 751,
&end
#
# 28 LYS HN 29 ASP HN 6.00 (# 559:10 Unique 2.41, 2.65 A)
&rst
ixpk= 559, nxpk= 10, iat= 437, 459, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 29 ASP HA 29 ASP HN 4.50 (# 561:10 Unique 2.89, 2.94 A)
&rst
ixpk= 561, nxpk= 10, iat= 461, 459, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 28 LYS HB- 29 ASP HN 6.00 (# 562:10 Unique 2.74, 3.72 A)
&rst
ixpk= 562, nxpk= 10, iat= -1, 459, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 441, 442,
&end
#
# 28 LYS HG- 29 ASP HN 6.00 (# 563:10 Unique 2.54, 3.94 A)
&rst
ixpk= 563, nxpk= 10, iat= -1, 459, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 444, 445,
&end
#
# 27 THR HB 29 ASP HN 6.00 (# 564:10 Unique 2.62, 3.12 A)
&rst
ixpk= 564, nxpk= 10, iat= 427, 459, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 29 ASP HB+ 29 ASP HN 2.80 (# 565:10 Unique 2.37, 2.69 A)
&rst
ixpk= 565, nxpk= 10, iat= -1, 459, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 463, 464,
&end
#
# 47 ASN HB+ 47 ASN HD2+ 4.50 (# 567:10 Unique 2.32, 3.22 A)
&rst
ixpk= 567, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 745, 746,
igr2= 750, 751,
&end
#
# 0 AMB 10-2:569 0 AMB 10-1:569 4.50 (# 569:10 Double Ambig)
&rst
ixpk= 569, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1006,1007,1006,1007,
igr2=1011,1012,1011,1012,
&end
#
# 0 AMB 10-2:574 0 AMB 10-1:574 4.50 (# 574:10 Double Ambig)
&rst
ixpk= 574, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1603,1604,1006,1007,1006,1007,
igr2=1608,1609,1011,1012,
&end
#
# 102 GLN HG- 102 GLN HE2+ 4.50 (# 576:10 Unique 2.20, 3.40 A)
&rst
ixpk= 576, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1603,1604,
igr2=1608,1609,
&end
#
# 102 GLN HG+ 102 GLN HE2+ 4.50 (# 577:10 Unique 2.20, 3.40 A)
&rst
ixpk= 577, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1603,1604,
igr2=1608,1609,
&end
#
# 0 AMB 10-2:578 0 AMB 10-1:578 4.50 (# 578:10 Double Ambig)
&rst
ixpk= 578, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.00, r4= 9.75,
igr1=1600,1601,1600,1601,1534,1535,1534,1535,
igr2=1608,1609,1608,1609,1608,1609,1608,1609,
&end
#
# 0 AMB 10-2:579 0 AMB 10-1:579 6.00 (# 579:10 Double Ambig)
&rst
ixpk= 579, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.52, r4=10.27,
igr1=1654,1655,1654,1655,
igr2=1608,1609,1608,1609,
&end
#
# 102 GLN HA 102 GLN HE2+ 6.00 (# 580:10 Unique 2.68, 4.19 A)
&rst
ixpk= 580, nxpk= 10, iat=1598, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1608,1609,
&end
#
# 0 AMB 10-2:581 0 AMB 10-1:581 4.50 (# 581:10 Double Ambig)
&rst
ixpk= 581, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1603,1604,1006,1007,1006,1007,
igr2=1608,1609,1011,1012,
&end
#
# 0 AMB 10-2:582 0 AMB 10-1:582 6.00 (# 582:10 Double Ambig)
&rst
ixpk= 582, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.19, r4=10.94,
igr1=1654,1655,1654,1655, 35, 36,
igr2=1608,1609,1011,1012,
&end
#
# 102 GLN HG+ 102 GLN HE2- 6.00 (# 584:10 Unique 2.20, 3.40 A)
&rst
ixpk= 584, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1603,1604,
igr2=1608,1609,
&end
#
# 54 ASN HA 54 ASN HN 4.50 (# 587:10 Unique 2.89, 2.91 A)
&rst
ixpk= 587, nxpk= 10, iat= 843, 841, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 53 VAL HA 0 AMB 10-1:588 2.80 (# 588:10 Single Ambig)
&rst
ixpk= 588, nxpk= 10, iat= 827, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 841, 825,
&end
#
# 54 ASN HB+ 54 ASN HN 6.00 (# 589:10 Unique 2.35, 2.79 A)
&rst
ixpk= 589, nxpk= 10, iat= -1, 841, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 845, 846,
&end
#
# 54 ASN HB- 54 ASN HN 4.50 (# 590:10 Unique 2.35, 2.79 A)
&rst
ixpk= 590, nxpk= 10, iat= -1, 841, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 845, 846,
&end
#
# 52 SER HA 53 VAL HN 2.80 (# 591:10 Unique 2.11, 2.19 A)
&rst
ixpk= 591, nxpk= 10, iat= 816, 825, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 53 VAL MGY 0 AMB 10-1:592 3.50 (# 592:10 Single Ambig)
&rst
ixpk= 592, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 831, 832, 833, 835, 836, 837,
igr2= 825, 841,
&end
#
# 53 VAL MGX 0 AMB 10-1:593 3.50 (# 593:10 Single Ambig)
&rst
ixpk= 593, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 831, 832, 833, 835, 836, 837,
igr2= 825, 841,
&end
#
# 53 VAL HB 53 VAL HN 4.50 (# 594:10 Unique 2.39, 2.54 A)
&rst
ixpk= 594, nxpk= 10, iat= 829, 825, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 93 ALA HA 96 SER HN 6.00 (# 595:10 Unique 3.15, 3.28 A)
&rst
ixpk= 595, nxpk= 10, iat=1461,1512, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 96 SER HA 96 SER HN 3.50 (# 596:10 Unique 2.92, 2.94 A)
&rst
ixpk= 596, nxpk= 10, iat=1514,1512, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 95 LYS HA 96 SER HN 6.00 (# 597:10 Unique 3.52, 3.56 A)
&rst
ixpk= 597, nxpk= 10, iat=1492,1512, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 97 GLY HN 96 SER HN 3.50 (# 598:10 Unique 2.53, 2.60 A)
&rst
ixpk= 598, nxpk= 10, iat=1523,1512, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 96 SER HB+ 96 SER HN 3.50 (# 599:10 Unique 2.51, 3.10 A)
&rst
ixpk= 599, nxpk= 10, iat= -1,1512, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1516,1517,
&end
#
# 96 SER HB- 96 SER HN 4.50 (# 600:10 Unique 2.51, 3.10 A)
&rst
ixpk= 600, nxpk= 10, iat= -1,1512, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1516,1517,
&end
#
# 95 LYS HB- 96 SER HN 3.50 (# 601:10 Unique 2.64, 3.28 A)
&rst
ixpk= 601, nxpk= 10, iat= -1,1512, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1494,1495,
&end
#
# 0 AMB 10-2:602 0 AMB 10-1:602 6.00 (# 602:10 Double Ambig)
&rst
ixpk= 602, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.52, r4=10.27,
igr1=1588,1589,1310,1311,
igr2=1608,1609,1608,1609,
&end
#
# 0 AMB 10-2:604 0 AMB 10-1:604 6.00 (# 604:10 Double Ambig)
&rst
ixpk= 604, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 418, 419, 507,
igr2= 517, 518, 517, 518,
&end
#
# 0 AMB 10-2:605 0 AMB 10-1:605 4.50 (# 605:10 Double Ambig)
&rst
ixpk= 605, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 512, 513, 512, 513,
igr2= 517, 518, 517, 518,
&end
#
# 0 AMB 10-2:606 102 GLN HE2- 4.50 (# 606:10 Single Ambig)
&rst
ixpk= 606, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1600,1601,1600,1601,1534,1535,1534,1535,
igr2=1608,1609,
&end
#
# 0 AMB 10-2:609 32 GLN HE2- 6.00 (# 609:10 Single Ambig)
&rst
ixpk= 609, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
igr1= 512, 513, 512, 513,
igr2= 517, 518,
&end
#
# 52 SER HB+ 53 VAL HN 6.00 (# 610:10 Unique 2.45, 3.97 A)
&rst
ixpk= 610, nxpk= 10, iat= -1, 825, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 818, 819,
&end
#
# 0 AMB 10-2:611 96 SER HN 6.00 (# 611:10 Single Ambig)
&rst
ixpk= 611, nxpk= 10, iat= -1,1512, r1= 0.00, r2= 1.80, r3= 7.85, r4= 8.60,
igr1=1463,1464,1465,1549,1550,
&end
#
# 60 LEU HA 63 GLN HN 6.00 (# 612:10 Unique 3.39, 3.76 A)
&rst
ixpk= 612, nxpk= 10, iat= 939, 999, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:613 63 GLN HN 6.00 (# 613:10 Single Ambig)
&rst
ixpk= 613, nxpk= 10, iat= -1, 999, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 941, 942, 960, 961, 960, 961,
&end
#
# 64 GLY HN 63 GLN HN 4.50 (# 614:10 Unique 2.11, 2.44 A)
&rst
ixpk= 614, nxpk= 10, iat=1016, 999, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 63 GLN HA 63 GLN HN 4.50 (# 615:10 Unique 2.89, 2.98 A)
&rst
ixpk= 615, nxpk= 10, iat=1001, 999, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:616 63 GLN HN 3.50 (# 616:10 Single Ambig)
&rst
ixpk= 616, nxpk= 10, iat= -1, 999, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1006,1007,1006,1007,
&end
#
# 63 GLN HB- 63 GLN HN 2.80 (# 617:10 Unique 2.34, 2.94 A)
&rst
ixpk= 617, nxpk= 10, iat= -1, 999, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1003,1004,
&end
#
# 0 AMB 10-2:618 85 GLY HN 6.00 (# 618:10 Single Ambig)
&rst
ixpk= 618, nxpk= 10, iat= -1,1358, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1346,1354,1220,1221,
&end
#
# 84 PHE HB- 85 GLY HN 4.50 (# 619:10 Unique 2.49, 3.30 A)
&rst
ixpk= 619, nxpk= 10, iat= -1,1358, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1342,1343,
&end
#
# 0 AMB 10-2:620 85 GLY HN 6.00 (# 620:10 Single Ambig)
&rst
ixpk= 620, nxpk= 10, iat= -1,1358, r1= 0.00, r2= 1.80, r3= 8.65, r4= 9.40,
igr1=1234,1235,1236,1238,1239,1240,1401,1402,1403,
&end
#
# 84 PHE HN 85 GLY HN 4.50 (# 622:10 Unique 1.94, 2.14 A)
&rst
ixpk= 622, nxpk= 10, iat=1338,1358, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 85 GLY HA- 85 GLY HN 6.00 (# 623:10 Unique 2.38, 2.75 A)
&rst
ixpk= 623, nxpk= 10, iat= -1,1358, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1360,1361,
&end
#
# 0 AMB 10-2:624 85 GLY HN 6.00 (# 624:10 Single Ambig)
&rst
ixpk= 624, nxpk= 10, iat= -1,1358, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1=1232,1275,1276,
&end
#
# 14 VAL HN 15 VAL HN 4.50 (# 625:10 Unique 2.79, 2.90 A)
&rst
ixpk= 625, nxpk= 10, iat= 210, 226, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 16 THR HN 15 VAL HN 6.00 (# 626:10 Unique 2.74, 2.81 A)
&rst
ixpk= 626, nxpk= 10, iat= 242, 226, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 14 VAL HA 15 VAL HN 6.00 (# 627:10 Unique 3.59, 3.63 A)
&rst
ixpk= 627, nxpk= 10, iat= 212, 226, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 14 VAL HB 15 VAL HN 4.50 (# 628:10 Unique 2.55, 3.21 A)
&rst
ixpk= 628, nxpk= 10, iat= 214, 226, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:629 15 VAL HN 6.00 (# 629:10 Single Ambig)
&rst
ixpk= 629, nxpk= 10, iat= -1, 226, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 232, 233, 234, 236, 237, 238, 216, 217, 218, 220,
221, 222,
&end
#
# 14 VAL MGY 15 VAL HN 6.00 (# 630:10 Unique 2.46, 4.33 A)
&rst
ixpk= 630, nxpk= 10, iat= -1, 226, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 216, 217, 218, 220, 221, 222,
&end
#
# 15 VAL MGY 15 VAL HN 3.50 (# 631:10 Unique 2.17, 3.75 A)
&rst
ixpk= 631, nxpk= 10, iat= -1, 226, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 232, 233, 234, 236, 237, 238,
&end
#
# 94 TYR HA 100 GLN HE2+ 6.00 (# 634:10 Unique 2.87, 5.82 A)
&rst
ixpk= 634, nxpk= 10, iat=1471, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1576,1577,
&end
#
# 100 GLN HG+ 100 GLN HE2+ 2.80 (# 635:10 Unique 2.28, 3.42 A)
&rst
ixpk= 635, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1571,1572,
igr2=1576,1577,
&end
#
# 100 GLN HG- 100 GLN HE2+ 3.50 (# 636:10 Unique 2.28, 3.42 A)
&rst
ixpk= 636, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1571,1572,
igr2=1576,1577,
&end
#
# 46 LEU MDY 100 GLN HE2+ 6.00 (# 637:10 Unique 2.39, 5.68 A)
&rst
ixpk= 637, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 731, 732, 733, 735, 736, 737,
igr2=1576,1577,
&end
#
# 100 GLN HG+ 100 GLN HE2- 4.50 (# 644:10 Unique 2.28, 3.42 A)
&rst
ixpk= 644, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1571,1572,
igr2=1576,1577,
&end
#
# 100 GLN HG- 100 GLN HE2- 4.50 (# 645:10 Unique 2.28, 3.42 A)
&rst
ixpk= 645, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1571,1572,
igr2=1576,1577,
&end
#
# 0 AMB 10-2:646 69 SER HN 4.50 (# 646:10 Single Ambig)
&rst
ixpk= 646, nxpk= 10, iat= -1,1100, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1025,1081,
&end
#
# 54 ASN HB- 54 ASN HD2+ 6.00 (# 647:10 Unique 2.24, 3.22 A)
&rst
ixpk= 647, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 845, 846,
igr2= 850, 851,
&end
#
# 94 TYR HB+ 94 TYR HN 4.50 (# 649:10 Unique 2.32, 2.46 A)
&rst
ixpk= 649, nxpk= 10, iat= -1,1469, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1473,1474,
&end
#
# 93 ALA HN 94 TYR HN 6.00 (# 650:10 Unique 2.68, 2.76 A)
&rst
ixpk= 650, nxpk= 10, iat=1459,1469, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:651 94 TYR HN 4.50 (# 651:10 Single Ambig)
&rst
ixpk= 651, nxpk= 10, iat= -1,1469, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1471,1461,
&end
#
# 94 TYR HB- 94 TYR HN 3.50 (# 652:10 Unique 2.32, 2.46 A)
&rst
ixpk= 652, nxpk= 10, iat= -1,1469, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1473,1474,
&end
#
# 0 AMB 10-2:653 94 TYR HN 4.50 (# 653:10 Single Ambig)
&rst
ixpk= 653, nxpk= 10, iat= -1,1469, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1=1463,1464,1465,1549,1550,
&end
#
# 95 LYS HN 94 TYR HN 4.50 (# 654:10 Unique 2.64, 2.75 A)
&rst
ixpk= 654, nxpk= 10, iat=1490,1469, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 70 SER HN 69 SER HN 4.50 (# 655:10 Unique 2.31, 2.53 A)
&rst
ixpk= 655, nxpk= 10, iat=1111,1100, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:656 69 SER HN 6.00 (# 656:10 Single Ambig)
&rst
ixpk= 656, nxpk= 10, iat= -1,1100, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1=1087,1096,1064,
&end
#
# 0 AMB 10-2:657 69 SER HN 4.50 (# 657:10 Single Ambig)
&rst
ixpk= 657, nxpk= 10, iat= -1,1100, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1083,1084,1083,1084,
&end
#
# 68 TYR HN 69 SER HN 6.00 (# 658:10 Unique 2.70, 2.83 A)
&rst
ixpk= 658, nxpk= 10, iat=1079,1100, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 69 SER HA 69 SER HN 6.00 (# 659:10 Unique 2.92, 2.95 A)
&rst
ixpk= 659, nxpk= 10, iat=1102,1100, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 69 SER HB- 69 SER HN 6.00 (# 660:10 Unique 2.45, 3.10 A)
&rst
ixpk= 660, nxpk= 10, iat= -1,1100, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1104,1105,
&end
#
# 0 AMB 10-2:661 0 AMB 10-1:661 6.00 (# 661:10 Double Ambig)
&rst
ixpk= 661, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.52, r4=10.27,
igr1= 575, 576, 495, 496,
igr2= 583, 584, 583, 584,
&end
#
# 0 AMB 10-2:662 0 AMB 10-1:662 6.00 (# 662:10 Double Ambig)
&rst
ixpk= 662, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.52, r4=10.27,
igr1= 498, 499, 495, 496,
igr2= 583, 584, 583, 584,
&end
#
# 0 AMB 10-2:664 0 AMB 10-1:664 6.00 (# 664:10 Double Ambig)
&rst
ixpk= 664, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.90, r4=11.65,
igr1= 578, 579, 578, 579, 575, 576,
igr2= 583, 584, 583, 584, 583, 584,
&end
#
# 0 AMB 10-2:667 37 GLN HE2- 6.00 (# 667:10 Single Ambig)
&rst
ixpk= 667, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 578, 579, 578, 579, 575, 576,
igr2= 583, 584,
&end
#
# 0 AMB 10-2:668 37 GLN HE2- 6.00 (# 668:10 Single Ambig)
&rst
ixpk= 668, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
igr1= 575, 576, 495, 496,
igr2= 583, 584,
&end
#
# 0 AMB 10-2:669 93 ALA HN 6.00 (# 669:10 Single Ambig)
&rst
ixpk= 669, nxpk= 10, iat= -1,1459, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1=1350,1477,1486,
&end
#
# 0 AMB 10-2:671 0 AMB 10-1:671 6.00 (# 671:10 Double Ambig)
&rst
ixpk= 671, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.58, r4=11.33,
igr1=1554,1555,1556,1558,1559,1560,1271,1272,1273,1619,
1620,1621,1623,1624,1625,
igr2=1459, 284,
&end
#
# 0 AMB 10-2:676 0 AMB 10-1:676 6.00 (# 676:10 Double Ambig)
&rst
ixpk= 676, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.42, r4=10.17,
igr1=1514, 724, 147, 743,1385,
igr2=1490, 670, 937,
&end
#
# 0 AMB 10-2:677 0 AMB 10-1:677 6.00 (# 677:10 Double Ambig)
&rst
ixpk= 677, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.71, r4=10.46,
igr1= 664, 665, 666,1234,1235,1236,1238,1239,1240,
igr2=1490, 670,
&end
#
# 6 ALA HN 7 LEU HN 6.00 (# 678:10 Unique 2.35, 2.67 A)
&rst
ixpk= 678, nxpk= 10, iat= 78, 88, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:679 7 LEU HN 3.50 (# 679:10 Single Ambig)
&rst
ixpk= 679, nxpk= 10, iat= -1, 88, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 56, 57, 58, 82, 83, 84,
&end
#
# 8 LYS HB- 8 LYS HN 3.50 (# 681:10 Unique 2.30, 2.94 A)
&rst
ixpk= 681, nxpk= 10, iat= -1, 107, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 111, 112,
&end
#
# 0 AMB 10-2:682 8 LYS HN 6.00 (# 682:10 Single Ambig)
&rst
ixpk= 682, nxpk= 10, iat= -1, 107, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 56, 57, 58, 82, 83, 84,
&end
#
# 8 LYS HB+ 9 THR HN 4.50 (# 683:10 Unique 2.58, 3.21 A)
&rst
ixpk= 683, nxpk= 10, iat= -1, 129, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 111, 112,
&end
#
# 0 AMB 10-2:684 9 THR HN 6.00 (# 684:10 Single Ambig)
&rst
ixpk= 684, nxpk= 10, iat= -1, 129, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 114, 115, 92, 93,
&end
#
# 0 AMB 10-2:685 9 THR HN 6.00 (# 685:10 Single Ambig)
&rst
ixpk= 685, nxpk= 10, iat= -1, 129, r1= 0.00, r2= 1.80, r3= 9.42, r4=10.17,
igr1= 149, 150, 151, 216, 217, 218, 220, 221, 222, 232,
233, 234, 236, 237, 238,
&end
#
# 0 AMB 10-2:686 10 THR HN 6.00 (# 686:10 Single Ambig)
&rst
ixpk= 686, nxpk= 10, iat= -1, 143, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 92, 93, 114, 115, 941, 942,
&end
#
# 7 LEU HA 11 LEU HN 4.50 (# 687:10 Unique 3.78, 3.96 A)
&rst
ixpk= 687, nxpk= 10, iat= 90, 157, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 11 LEU HB+ 11 LEU HN 3.50 (# 688:10 Unique 2.15, 2.95 A)
&rst
ixpk= 688, nxpk= 10, iat= -1, 157, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 161, 162,
&end
#
# 0 AMB 10-2:689 0 AMB 10-1:689 6.00 (# 689:10 Double Ambig)
&rst
ixpk= 689, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 787, 795, 789, 793,1254,1259,
igr2= 689, 176,
&end
#
# 68 TYR HH 12 ASP HN 6.00 (# 690:10 Unique 2.83, 3.75 A)
&rst
ixpk= 690, nxpk= 10, iat=1092, 176, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:691 0 AMB 10-1:691 6.00 (# 691:10 Double Ambig)
&rst
ixpk= 691, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.59, r4=12.34,
igr1= 312, 313, 314, 316, 317, 318, 97, 98, 99, 101,
102, 103, 97, 98, 99, 101, 102, 103, 608, 609,
610, 612, 613, 614, 342, 343,
igr2= 689, 176,
&end
#
# 43 LEU HB- 44 LYS HN 6.00 (# 692:10 Unique 2.28, 2.90 A)
&rst
ixpk= 692, nxpk= 10, iat= -1, 689, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 674, 675,
&end
#
# 15 VAL HN 13 LYS HN 6.00 (# 693:10 Unique 4.29, 4.43 A)
&rst
ixpk= 693, nxpk= 10, iat= 226, 188, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 12 ASP HA 13 LYS HN 6.00 (# 694:10 Unique 3.61, 3.63 A)
&rst
ixpk= 694, nxpk= 10, iat= 178, 188, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 13 LYS HA 14 VAL HN 6.00 (# 695:10 Unique 3.58, 3.63 A)
&rst
ixpk= 695, nxpk= 10, iat= 190, 210, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 13 LYS HG+ 14 VAL HN 6.00 (# 696:10 Unique 2.74, 4.60 A)
&rst
ixpk= 696, nxpk= 10, iat= -1, 210, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 195, 196,
&end
#
# 15 VAL HA 15 VAL HN 6.00 (# 697:10 Unique 2.80, 2.85 A)
&rst
ixpk= 697, nxpk= 10, iat= 228, 226, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 16 THR HB 16 THR HN 6.00 (# 699:10 Unique 3.64, 3.67 A)
&rst
ixpk= 699, nxpk= 10, iat= 246, 242, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 15 VAL HA 16 THR HN 6.00 (# 700:10 Unique 3.40, 3.55 A)
&rst
ixpk= 700, nxpk= 10, iat= 228, 242, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 14 VAL HA 16 THR HN 6.00 (# 701:10 Unique 3.97, 4.44 A)
&rst
ixpk= 701, nxpk= 10, iat= 212, 242, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 15 VAL MGY 16 THR HN 6.00 (# 702:10 Unique 2.63, 4.42 A)
&rst
ixpk= 702, nxpk= 10, iat= -1, 242, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 232, 233, 234, 236, 237, 238,
&end
#
# 0 AMB 10-2:703 17 SER HN 6.00 (# 703:10 Single Ambig)
&rst
ixpk= 703, nxpk= 10, iat= -1, 256, r1= 0.00, r2= 1.80, r3= 9.31, r4=10.06,
igr1= 232, 233, 234, 236, 237, 238, 216, 217, 218, 220,
221, 222, 803, 804,
&end
#
# 20 VAL HA 20 VAL HN 6.00 (# 705:10 Unique 2.84, 2.99 A)
&rst
ixpk= 705, nxpk= 10, iat= 308, 306, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 21 VAL HB 21 VAL HN 6.00 (# 706:10 Unique 2.58, 2.87 A)
&rst
ixpk= 706, nxpk= 10, iat= 326, 322, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 50 PHE HD 22 LEU HN 6.00 (# 707:10 Unique 3.13, 6.15 A)
&rst
ixpk= 707, nxpk= 10, iat= -1, 338, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 787, 795,
&end
#
# 22 LEU HA 22 LEU HN 6.00 (# 708:10 Unique 2.97, 2.99 A)
&rst
ixpk= 708, nxpk= 10, iat= 340, 338, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 23 PHE HB- 23 PHE HN 6.00 (# 709:10 Unique 2.38, 3.05 A)
&rst
ixpk= 709, nxpk= 10, iat= -1, 357, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 361, 362,
&end
#
# 23 PHE HD 24 MET HN 6.00 (# 710:10 Unique 3.76, 5.17 A)
&rst
ixpk= 710, nxpk= 10, iat= -1, 377, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 365, 373,
&end
#
# 0 AMB 10-2:711 24 MET HN 6.00 (# 711:10 Single Ambig)
&rst
ixpk= 711, nxpk= 10, iat= -1, 377, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 829, 388, 389, 390,
&end
#
# 55 ILE HG1- 24 MET HN 6.00 (# 712:10 Unique 2.36, 4.56 A)
&rst
ixpk= 712, nxpk= 10, iat= -1, 377, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 865, 866,
&end
#
# 0 AMB 10-2:713 26 GLY HN 6.00 (# 713:10 Single Ambig)
&rst
ixpk= 713, nxpk= 10, iat= -1, 416, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 512, 513, 512, 513,
&end
#
# 0 AMB 10-2:714 26 GLY HN 6.00 (# 714:10 Single Ambig)
&rst
ixpk= 714, nxpk= 10, iat= -1, 416, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 878, 879, 960, 961,
&end
#
# 0 AMB 10-2:715 26 GLY HN 8.00 (# 715:10 Single Ambig)
&rst
ixpk= 715, nxpk= 10, iat= -1, 416, r1= 0.00, r2= 1.80, r3=11.31, r4=12.06,
igr1= 865, 866, 883, 884, 885, 887, 888, 889,
&end
#
# 30 PHE HN 27 THR HN 6.00 (# 716:10 Unique 2.82, 3.14 A)
&rst
ixpk= 716, nxpk= 10, iat= 471, 423, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:717 27 THR HN 6.00 (# 717:10 Single Ambig)
&rst
ixpk= 717, nxpk= 10, iat= -1, 423, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 512, 513, 512, 513, 463, 464,
&end
#
# 35 PHE HB- 38 THR HN 6.00 (# 718:10 Unique 4.50, 5.50 A)
&rst
ixpk= 718, nxpk= 10, iat= -1, 588, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 544, 545,
&end
#
# 29 ASP HN 28 LYS HN 6.00 (# 719:10 Unique 2.41, 2.65 A)
&rst
ixpk= 719, nxpk= 10, iat= 459, 437, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 28 LYS HA 28 LYS HN 4.50 (# 720:10 Unique 2.86, 2.89 A)
&rst
ixpk= 720, nxpk= 10, iat= 439, 437, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 30 PHE HN 29 ASP HN 3.50 (# 721:10 Unique 2.26, 2.45 A)
&rst
ixpk= 721, nxpk= 10, iat= 471, 459, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:722 29 ASP HN 6.00 (# 722:10 Single Ambig)
&rst
ixpk= 722, nxpk= 10, iat= -1, 459, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 475, 476, 845, 846,
&end
#
# 56 LEU HG 32 GLN HE2+ 8.00 (# 724:10 Unique 6.97, 8.41 A)
&rst
ixpk= 724, nxpk= 10, iat= 881, -1, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr2= 517, 518,
&end
#
# 0 AMB 10-2:725 32 GLN HE2- 6.00 (# 725:10 Single Ambig)
&rst
ixpk= 725, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 418, 419, 507,
igr2= 517, 518,
&end
#
# 0 AMB 10-2:726 32 GLN HE2- 6.00 (# 726:10 Single Ambig)
&rst
ixpk= 726, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.33, r4=11.08,
igr1= 347, 348, 349, 351, 352, 353, 347, 348, 349, 351,
352, 353, 881,
igr2= 517, 518,
&end
#
# 0 AMB 10-2:727 0 AMB 10-1:727 6.00 (# 727:10 Double Ambig)
&rst
ixpk= 727, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.46, r4=11.21,
igr1= 347, 348, 349, 351, 352, 353, 347, 348, 349, 351,
352, 353, 401, 402,
igr2= 505, 814,
&end
#
# 0 AMB 10-2:728 33 CYS HN 6.00 (# 728:10 Single Ambig)
&rst
ixpk= 728, nxpk= 10, iat= -1, 522, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 535, 536, 418, 419,
&end
#
# 33 CYS HB- 33 CYS HN 6.00 (# 729:10 Unique 2.32, 3.14 A)
&rst
ixpk= 729, nxpk= 10, iat= -1, 522, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 526, 527,
&end
#
# 35 PHE HD 35 PHE HN 6.00 (# 730:10 Unique 2.41, 3.69 A)
&rst
ixpk= 730, nxpk= 10, iat= -1, 540, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 548, 556,
&end
#
# 34 GLY HA+ 35 PHE HN 6.00 (# 731:10 Unique 2.10, 2.82 A)
&rst
ixpk= 731, nxpk= 10, iat= -1, 540, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 535, 536,
&end
#
# 0 AMB 10-2:733 37 GLN HE2- 6.00 (# 733:10 Single Ambig)
&rst
ixpk= 733, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 590, 535, 536,
igr2= 583, 584,
&end
#
# 39 VAL HA 39 VAL HN 6.00 (# 734:10 Unique 2.82, 2.84 A)
&rst
ixpk= 734, nxpk= 10, iat= 604, 602, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:735 39 VAL HN 6.00 (# 735:10 Single Ambig)
&rst
ixpk= 735, nxpk= 10, iat= -1, 602, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 590,1374,
&end
#
# 38 THR HB 39 VAL HN 6.00 (# 736:10 Unique 2.39, 2.51 A)
&rst
ixpk= 736, nxpk= 10, iat= 592, 602, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 37 GLN HA 40 VAL HN 6.00 (# 737:10 Unique 3.31, 3.59 A)
&rst
ixpk= 737, nxpk= 10, iat= 573, 618, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 39 VAL HA 40 VAL HN 6.00 (# 738:10 Unique 3.59, 3.64 A)
&rst
ixpk= 738, nxpk= 10, iat= 604, 618, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 39 VAL HB 40 VAL HN 4.50 (# 739:10 Unique 2.68, 2.94 A)
&rst
ixpk= 739, nxpk= 10, iat= 606, 618, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 39 VAL MGX 40 VAL HN 6.00 (# 740:10 Unique 2.61, 4.56 A)
&rst
ixpk= 740, nxpk= 10, iat= -1, 618, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 608, 609, 610, 612, 613, 614,
&end
#
# 41 GLN HN 42 ILE HN 6.00 (# 741:10 Unique 2.70, 2.75 A)
&rst
ixpk= 741, nxpk= 10, iat= 634, 651, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 39 VAL HA 42 ILE HN 6.00 (# 742:10 Unique 3.27, 3.40 A)
&rst
ixpk= 742, nxpk= 10, iat= 604, 651, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:743 42 ILE HN 6.00 (# 743:10 Single Ambig)
&rst
ixpk= 743, nxpk= 10, iat= -1, 651, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
igr1= 674, 675,1554,1555,1556,1558,1559,1560,
&end
#
# 89 ILE QG2 86 GLY HN 6.00 (# 748:10 Unique 2.41, 4.14 A)
&rst
ixpk= 748, nxpk= 10, iat= -1,1365, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1=1401,1402,1403,
&end
#
# 89 ILE HB 86 GLY HN 6.00 (# 749:10 Unique 2.53, 3.37 A)
&rst
ixpk= 749, nxpk= 10, iat=1399,1365, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:752 45 SER HN 6.00 (# 752:10 Single Ambig)
&rst
ixpk= 752, nxpk= 10, iat= -1, 711, r1= 0.00, r2= 1.80, r3= 7.85, r4= 8.60,
igr1= 787, 795, 789, 793, 791,
&end
#
# 25 LYS HA 25 LYS HN 6.00 (# 753:10 Unique 2.86, 2.94 A)
&rst
ixpk= 753, nxpk= 10, iat= 396, 394, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 42 ILE HA 45 SER HN 6.00 (# 754:10 Unique 3.61, 3.82 A)
&rst
ixpk= 754, nxpk= 10, iat= 653, 711, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:755 25 LYS HN 6.00 (# 755:10 Single Ambig)
&rst
ixpk= 755, nxpk= 10, iat= -1, 394, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 398, 399, 404, 405,
&end
#
# 0 AMB 10-2:756 25 LYS HN 6.00 (# 756:10 Single Ambig)
&rst
ixpk= 756, nxpk= 10, iat= -1, 394, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 401, 402, 401, 402,
&end
#
# 55 ILE QG2 25 LYS HN 6.00 (# 757:10 Unique 3.56, 6.43 A)
&rst
ixpk= 757, nxpk= 10, iat= -1, 394, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1= 861, 862, 863,
&end
#
# 25 LYS HB- 25 LYS HN 3.50 (# 758:10 Unique 2.31, 2.96 A)
&rst
ixpk= 758, nxpk= 10, iat= -1, 394, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 398, 399,
&end
#
# 48 ALA MB 46 LEU HN 8.00 (# 759:10 Unique 4.90, 5.94 A)
&rst
ixpk= 759, nxpk= 10, iat= -1, 722, r1= 0.00, r2= 1.80, r3= 9.61, r4=10.36,
igr1= 759, 760, 761,
&end
#
# 43 LEU HA 46 LEU HN 6.00 (# 760:10 Unique 3.42, 3.56 A)
&rst
ixpk= 760, nxpk= 10, iat= 672, 722, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 45 SER HB+ 46 LEU HN 6.00 (# 761:10 Unique 2.72, 3.50 A)
&rst
ixpk= 761, nxpk= 10, iat= -1, 722, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 715, 716,
&end
#
# 47 ASN HA 47 ASN HD2- 6.00 (# 762:10 Unique 2.37, 4.33 A)
&rst
ixpk= 762, nxpk= 10, iat= 743, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 750, 751,
&end
#
# 48 ALA HA 47 ASN HN 6.00 (# 763:10 Unique 4.52, 4.72 A)
&rst
ixpk= 763, nxpk= 10, iat= 757, 741, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 46 LEU HG 47 ASN HN 6.00 (# 764:10 Unique 3.53, 4.10 A)
&rst
ixpk= 764, nxpk= 10, iat= 729, 741, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 46 LEU MDX 47 ASN HN 6.00 (# 765:10 Unique 3.65, 5.50 A)
&rst
ixpk= 765, nxpk= 10, iat= -1, 741, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 731, 732, 733, 735, 736, 737,
&end
#
# 46 LEU MDY 47 ASN HN 6.00 (# 766:10 Unique 3.65, 5.50 A)
&rst
ixpk= 766, nxpk= 10, iat= -1, 741, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 731, 732, 733, 735, 736, 737,
&end
#
# 0 AMB 10-2:767 48 ALA HN 6.00 (# 767:10 Single Ambig)
&rst
ixpk= 767, nxpk= 10, iat= -1, 755, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 766, 767, 715, 716,
&end
#
# 49 PRO HD- 48 ALA HN 6.00 (# 768:10 Unique 4.30, 4.91 A)
&rst
ixpk= 768, nxpk= 10, iat= -1, 755, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 766, 767,
&end
#
# 47 ASN HB- 48 ALA HN 6.00 (# 769:10 Unique 4.20, 4.57 A)
&rst
ixpk= 769, nxpk= 10, iat= -1, 755, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 745, 746,
&end
#
# 47 ASN HB+ 48 ALA HN 6.00 (# 770:10 Unique 4.20, 4.57 A)
&rst
ixpk= 770, nxpk= 10, iat= -1, 755, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 745, 746,
&end
#
# 0 AMB 10-2:771 48 ALA HN 6.00 (# 771:10 Single Ambig)
&rst
ixpk= 771, nxpk= 10, iat= -1, 755, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 769, 770, 772, 773,1680,1681,
&end
#
# 51 GLU HN 50 PHE HN 6.00 (# 772:10 Unique 4.18, 4.43 A)
&rst
ixpk= 772, nxpk= 10, iat= 799, 779, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 50 PHE HB+ 50 PHE HN 6.00 (# 773:10 Unique 2.28, 3.51 A)
&rst
ixpk= 773, nxpk= 10, iat= -1, 779, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 783, 784,
&end
#
# 0 AMB 10-2:774 50 PHE HN 6.00 (# 774:10 Single Ambig)
&rst
ixpk= 774, nxpk= 10, iat= -1, 779, r1= 0.00, r2= 1.80, r3= 7.85, r4= 8.60,
igr1= 759, 760, 761, 674, 675,
&end
#
# 20 VAL MGY 50 PHE HN 6.00 (# 775:10 Unique 3.85, 6.13 A)
&rst
ixpk= 775, nxpk= 10, iat= -1, 779, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 312, 313, 314, 316, 317, 318,
&end
#
# 0 AMB 10-2:776 51 GLU HN 6.00 (# 776:10 Single Ambig)
&rst
ixpk= 776, nxpk= 10, iat= -1, 799, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 814, 306,
&end
#
# 50 PHE HN 51 GLU HN 6.00 (# 777:10 Unique 4.18, 4.43 A)
&rst
ixpk= 777, nxpk= 10, iat= 779, 799, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 21 VAL MGX 51 GLU HN 6.00 (# 778:10 Unique 3.42, 5.02 A)
&rst
ixpk= 778, nxpk= 10, iat= -1, 799, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 328, 329, 330, 332, 333, 334,
&end
#
# 51 GLU HB+ 51 GLU HN 4.50 (# 779:10 Unique 2.46, 2.96 A)
&rst
ixpk= 779, nxpk= 10, iat= -1, 799, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 803, 804,
&end
#
# 93 ALA HA 98 GLU HN 6.00 (# 780:10 Unique 3.16, 3.42 A)
&rst
ixpk= 780, nxpk= 10, iat=1461,1530, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 54 ASN HB+ 54 ASN HD2+ 6.00 (# 781:10 Unique 2.24, 3.22 A)
&rst
ixpk= 781, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 845, 846,
igr2= 850, 851,
&end
#
# 0 AMB 10-2:782 0 AMB 10-1:782 6.00 (# 782:10 Double Ambig)
&rst
ixpk= 782, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.90, r4=11.65,
igr1= 900, 901, 900, 901, 897, 898,
igr2= 850, 851, 850, 851, 850, 851,
&end
#
# 27 THR MG2 54 ASN HD2+ 6.00 (# 783:10 Unique 2.19, 4.90 A)
&rst
ixpk= 783, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 429, 430, 431,
igr2= 850, 851,
&end
#
# 54 ASN HB+ 54 ASN HD2- 6.00 (# 784:10 Unique 2.24, 3.22 A)
&rst
ixpk= 784, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 845, 846,
igr2= 850, 851,
&end
#
# 54 ASN HB- 54 ASN HD2- 6.00 (# 785:10 Unique 2.24, 3.22 A)
&rst
ixpk= 785, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 845, 846,
igr2= 850, 851,
&end
#
# 27 THR MG2 54 ASN HD2- 6.00 (# 786:10 Unique 2.19, 4.90 A)
&rst
ixpk= 786, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 429, 430, 431,
igr2= 850, 851,
&end
#
# 0 AMB 10-2:787 54 ASN HD2- 6.00 (# 787:10 Single Ambig)
&rst
ixpk= 787, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 900, 901, 900, 901, 897, 898,
igr2= 850, 851,
&end
#
# 0 AMB 10-2:788 0 AMB 10-1:788 6.00 (# 788:10 Double Ambig)
&rst
ixpk= 788, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 377, 357,
igr2= 825, 841,
&end
#
# 0 AMB 10-2:789 0 AMB 10-1:789 6.00 (# 789:10 Double Ambig)
&rst
ixpk= 789, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.71, r4=10.46,
igr1= 214, 463, 464, 512, 513, 512, 513, 512, 513,
igr2= 825, 841,
&end
#
# 55 ILE QD1 55 ILE HN 6.00 (# 790:10 Unique 2.19, 4.23 A)
&rst
ixpk= 790, nxpk= 10, iat= -1, 855, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1= 868, 869, 870,
&end
#
# 87 CYS HB+ 88 ASP HN 6.00 (# 791:10 Unique 2.62, 3.38 A)
&rst
ixpk= 791, nxpk= 10, iat= -1,1383, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1376,1377,
&end
#
# 0 AMB 10-2:793 56 LEU HN 6.00 (# 793:10 Single Ambig)
&rst
ixpk= 793, nxpk= 10, iat= -1, 874, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
igr1= 900, 901, 900, 901, 897, 898, 982, 983,
&end
#
# 58 ASN HA 57 GLU HN 6.00 (# 794:10 Unique 5.28, 5.40 A)
&rst
ixpk= 794, nxpk= 10, iat= 910, 893, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 56 LEU HB+ 57 GLU HN 6.00 (# 795:10 Unique 2.41, 3.63 A)
&rst
ixpk= 795, nxpk= 10, iat= -1, 893, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 878, 879,
&end
#
# 0 AMB 10-2:796 57 GLU HN 6.00 (# 796:10 Single Ambig)
&rst
ixpk= 796, nxpk= 10, iat= -1, 893, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 883, 884, 885, 887, 888, 889, 965, 966, 967, 969,
970, 971,
&end
#
# 57 GLU HN 58 ASN HN 4.50 (# 798:10 Unique 2.59, 2.86 A)
&rst
ixpk= 798, nxpk= 10, iat= 893, 908, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:799 58 ASN HN 6.00 (# 799:10 Single Ambig)
&rst
ixpk= 799, nxpk= 10, iat= -1, 908, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1= 917, 918, 874,
&end
#
# 61 LEU HN 58 ASN HN 6.00 (# 800:10 Unique 4.01, 4.75 A)
&rst
ixpk= 800, nxpk= 10, iat= 956, 908, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:801 58 ASN HN 6.00 (# 801:10 Single Ambig)
&rst
ixpk= 801, nxpk= 10, iat= -1, 908, r1= 0.00, r2= 1.80, r3=10.19, r4=10.94,
igr1= 883, 884, 885, 887, 888, 889, 831, 832, 833, 835,
836, 837, 97, 98, 99, 101, 102, 103, 97, 98,
99, 101, 102, 103,
&end
#
# 58 ASN HA 61 LEU HN 6.00 (# 802:10 Unique 4.47, 4.82 A)
&rst
ixpk= 802, nxpk= 10, iat= 910, 956, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:803 62 ARG HN 8.00 (# 803:10 Single Ambig)
&rst
ixpk= 803, nxpk= 10, iat= -1, 975, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1= 924, 876,
&end
#
# 0 AMB 10-2:805 100 GLN HE2- 6.00 (# 805:10 Single Ambig)
&rst
ixpk= 805, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
igr1=1585,1586,1585,1586,
igr2=1576,1577,
&end
#
# 46 LEU MDY 100 GLN HE2- 6.00 (# 807:10 Unique 2.39, 5.68 A)
&rst
ixpk= 807, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 731, 732, 733, 735, 736, 737,
igr2=1576,1577,
&end
#
# 65 LEU HN 63 GLN HN 6.00 (# 809:10 Unique 3.76, 4.14 A)
&rst
ixpk= 809, nxpk= 10, iat=1023, 999, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 62 ARG HA 63 GLN HN 6.00 (# 810:10 Unique 3.44, 3.56 A)
&rst
ixpk= 810, nxpk= 10, iat= 977, 999, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 64 GLY HA- 65 LEU HN 6.00 (# 811:10 Unique 2.81, 3.29 A)
&rst
ixpk= 811, nxpk= 10, iat= -1,1023, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1018,1019,
&end
#
# 0 AMB 10-2:812 65 LEU HN 6.00 (# 812:10 Single Ambig)
&rst
ixpk= 812, nxpk= 10, iat= -1,1023, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
igr1=1083,1084,1083,1084,1055,1056,1055,1056,
&end
#
# 0 AMB 10-2:813 65 LEU HN 6.00 (# 813:10 Single Ambig)
&rst
ixpk= 813, nxpk= 10, iat= -1,1023, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1003,1004,1068,1069,1068,1069,
&end
#
# 0 AMB 10-2:814 65 LEU HN 6.00 (# 814:10 Single Ambig)
&rst
ixpk= 814, nxpk= 10, iat= -1,1023, r1= 0.00, r2= 1.80, r3= 9.20, r4= 9.95,
igr1= 95, 40, 41, 42, 44, 45, 46, 40, 41, 42,
44, 45, 46,
&end
#
# 65 LEU HN 66 LYS HN 6.00 (# 815:10 Unique 2.47, 2.87 A)
&rst
ixpk= 815, nxpk= 10, iat=1023,1042, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 66 LYS HA 67 GLU HN 6.00 (# 818:10 Unique 3.52, 3.58 A)
&rst
ixpk= 818, nxpk= 10, iat=1044,1064, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 69 SER HB+ 69 SER HN 6.00 (# 822:10 Unique 2.45, 3.10 A)
&rst
ixpk= 822, nxpk= 10, iat= -1,1100, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1104,1105,
&end
#
# 0 AMB 10-2:825 71 TRP HN 6.00 (# 825:10 Single Ambig)
&rst
ixpk= 825, nxpk= 10, iat= -1,1122, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1=1102,1156,1066,
&end
#
# 69 SER HB- 71 TRP HN 6.00 (# 826:10 Unique 2.42, 3.70 A)
&rst
ixpk= 826, nxpk= 10, iat= -1,1122, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1104,1105,
&end
#
# 0 AMB 10-2:827 0 AMB 10-1:827 6.00 (# 827:10 Double Ambig)
&rst
ixpk= 827, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
igr1= 271, 272,1006,1007,
igr2= 256, 50,
&end
#
# 0 AMB 10-2:828 0 AMB 10-1:828 6.00 (# 828:10 Double Ambig)
&rst
ixpk= 828, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.52, r4=10.27,
igr1=1147,1148,1201,1202,
igr2=1220,1221,1220,1221,
&end
#
# 0 AMB 10-2:829 0 AMB 10-1:829 6.00 (# 829:10 Double Ambig)
&rst
ixpk= 829, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3=12.00, r4=12.75,
igr1=1215,1216,1215,1216,1212,1213,1212,1213,
igr2=1220,1221,1220,1221,1220,1221,1220,1221,
&end
#
# 0 AMB 10-2:830 76 GLN HE2- 6.00 (# 830:10 Single Ambig)
&rst
ixpk= 830, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.52, r4=10.27,
igr1=1215,1216,1215,1216,1212,1213,1212,1213,
igr2=1220,1221,
&end
#
# 76 GLN HA 76 GLN HN 6.00 (# 831:10 Unique 2.89, 2.95 A)
&rst
ixpk= 831, nxpk= 10, iat=1210,1208, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:832 76 GLN HN 6.00 (# 832:10 Single Ambig)
&rst
ixpk= 832, nxpk= 10, iat= -1,1208, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 347, 348, 349, 351, 352, 353, 347, 348, 349, 351,
352, 353,
&end
#
# 0 AMB 10-2:833 76 GLN HN 6.00 (# 833:10 Single Ambig)
&rst
ixpk= 833, nxpk= 10, iat= -1,1208, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
igr1=1215,1216,1215,1216,1212,1213,1212,1213,
&end
#
# 75 PRO HB+ 76 GLN HN 6.00 (# 835:10 Unique 2.57, 3.18 A)
&rst
ixpk= 835, nxpk= 10, iat= -1,1208, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1201,1202,
&end
#
# 77 LEU HA 77 LEU HN 6.00 (# 838:10 Unique 2.94, 2.97 A)
&rst
ixpk= 838, nxpk= 10, iat=1227,1225, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:839 77 LEU HN 6.00 (# 839:10 Single Ambig)
&rst
ixpk= 839, nxpk= 10, iat= -1,1225, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
igr1=1215,1216,1215,1216,1212,1213,1212,1213,
&end
#
# 0 AMB 10-2:840 77 LEU HN 6.00 (# 840:10 Single Ambig)
&rst
ixpk= 840, nxpk= 10, iat= -1,1225, r1= 0.00, r2= 1.80, r3= 8.65, r4= 9.40,
igr1=1234,1235,1236,1238,1239,1240,1401,1402,1403,
&end
#
# 0 AMB 10-2:841 77 LEU HN 6.00 (# 841:10 Single Ambig)
&rst
ixpk= 841, nxpk= 10, iat= -1,1225, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1232,1275,1276,1166,1167,1168,
&end
#
# 78 TYR HA 78 TYR HN 6.00 (# 842:10 Unique 2.97, 2.98 A)
&rst
ixpk= 842, nxpk= 10, iat=1246,1244, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 78 TYR HB- 78 TYR HN 6.00 (# 843:10 Unique 2.37, 2.85 A)
&rst
ixpk= 843, nxpk= 10, iat= -1,1244, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1248,1249,
&end
#
# 77 LEU HB- 78 TYR HN 6.00 (# 844:10 Unique 3.86, 4.17 A)
&rst
ixpk= 844, nxpk= 10, iat= -1,1244, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1229,1230,
&end
#
# 0 AMB 10-2:845 78 TYR HN 6.00 (# 845:10 Single Ambig)
&rst
ixpk= 845, nxpk= 10, iat= -1,1244, r1= 0.00, r2= 1.80, r3= 9.31, r4=10.06,
igr1=1229,1230, 232, 233, 234, 236, 237, 238, 608, 609,
610, 612, 613, 614,
&end
#
# 77 LEU MDX 78 TYR HN 6.00 (# 846:10 Unique 1.95, 4.35 A)
&rst
ixpk= 846, nxpk= 10, iat= -1,1244, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1234,1235,1236,1238,1239,1240,
&end
#
# 80 ASP HN 79 ILE HN 6.00 (# 847:10 Unique 4.15, 4.26 A)
&rst
ixpk= 847, nxpk= 10, iat=1284,1265, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 83 PHE HA 79 ILE HN 6.00 (# 848:10 Unique 3.30, 3.50 A)
&rst
ixpk= 848, nxpk= 10, iat=1320,1265, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 78 TYR HB+ 79 ILE HN 6.00 (# 849:10 Unique 3.23, 4.14 A)
&rst
ixpk= 849, nxpk= 10, iat= -1,1265, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1248,1249,
&end
#
# 79 ILE HG1- 79 ILE HN 6.00 (# 850:10 Unique 2.41, 3.24 A)
&rst
ixpk= 850, nxpk= 10, iat= -1,1265, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1275,1276,
&end
#
# 81 GLY HN 80 ASP HN 6.00 (# 851:10 Unique 2.91, 3.31 A)
&rst
ixpk= 851, nxpk= 10, iat=1296,1284, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:852 80 ASP HN 6.00 (# 852:10 Single Ambig)
&rst
ixpk= 852, nxpk= 10, iat= -1,1284, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 286,1668,
&end
#
# 80 ASP HB- 80 ASP HN 6.00 (# 853:10 Unique 2.28, 3.14 A)
&rst
ixpk= 853, nxpk= 10, iat= -1,1284, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1288,1289,
&end
#
# 80 ASP HB+ 80 ASP HN 6.00 (# 854:10 Unique 2.28, 3.14 A)
&rst
ixpk= 854, nxpk= 10, iat= -1,1284, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1288,1289,
&end
#
# 81 GLY HA- 80 ASP HN 6.00 (# 855:10 Unique 5.24, 5.64 A)
&rst
ixpk= 855, nxpk= 10, iat= -1,1284, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1298,1299,
&end
#
# 80 ASP HN 81 GLY HN 6.00 (# 856:10 Unique 2.91, 3.31 A)
&rst
ixpk= 856, nxpk= 10, iat=1284,1296, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:858 82 GLU HN 6.00 (# 858:10 Single Ambig)
&rst
ixpk= 858, nxpk= 10, iat= -1,1303, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1318,1338,
&end
#
# 79 ILE HA 82 GLU HN 6.00 (# 860:10 Unique 4.56, 4.73 A)
&rst
ixpk= 860, nxpk= 10, iat=1267,1303, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 79 ILE HG1+ 82 GLU HN 6.00 (# 861:10 Unique 3.23, 5.68 A)
&rst
ixpk= 861, nxpk= 10, iat= -1,1303, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1275,1276,
&end
#
# 80 ASP HA 82 GLU HN 6.00 (# 862:10 Unique 4.11, 4.74 A)
&rst
ixpk= 862, nxpk= 10, iat=1286,1303, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 79 ILE HN 83 PHE HN 6.00 (# 863:10 Unique 4.79, 4.91 A)
&rst
ixpk= 863, nxpk= 10, iat=1265,1318, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 82 GLU HN 83 PHE HN 6.00 (# 864:10 Unique 4.35, 4.46 A)
&rst
ixpk= 864, nxpk= 10, iat=1303,1318, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 82 GLU HG- 83 PHE HN 6.00 (# 865:10 Unique 2.31, 3.99 A)
&rst
ixpk= 865, nxpk= 10, iat= -1,1318, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1310,1311,
&end
#
# 82 GLU HG+ 83 PHE HN 6.00 (# 866:10 Unique 2.31, 3.99 A)
&rst
ixpk= 866, nxpk= 10, iat= -1,1318, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1310,1311,
&end
#
# 84 PHE HA 84 PHE HN 6.00 (# 868:10 Unique 2.94, 2.98 A)
&rst
ixpk= 868, nxpk= 10, iat=1340,1338, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 84 PHE HB- 84 PHE HN 6.00 (# 870:10 Unique 2.46, 2.68 A)
&rst
ixpk= 870, nxpk= 10, iat= -1,1338, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1342,1343,
&end
#
# 0 AMB 10-2:871 84 PHE HN 6.00 (# 871:10 Single Ambig)
&rst
ixpk= 871, nxpk= 10, iat= -1,1338, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1265,1225,
&end
#
# 77 LEU HN 85 GLY HN 6.00 (# 873:10 Unique 3.00, 3.13 A)
&rst
ixpk= 873, nxpk= 10, iat=1225,1358, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:874 85 GLY HN 6.00 (# 874:10 Single Ambig)
&rst
ixpk= 874, nxpk= 10, iat= -1,1358, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1135,1365,
&end
#
# 84 PHE HA 85 GLY HN 6.00 (# 875:10 Unique 3.42, 3.56 A)
&rst
ixpk= 875, nxpk= 10, iat=1340,1358, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 77 LEU HB- 85 GLY HN 6.00 (# 876:10 Unique 2.91, 4.08 A)
&rst
ixpk= 876, nxpk= 10, iat= -1,1358, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1229,1230,
&end
#
# 84 PHE HB+ 85 GLY HN 6.00 (# 877:10 Unique 2.49, 3.30 A)
&rst
ixpk= 877, nxpk= 10, iat= -1,1358, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1342,1343,
&end
#
# 83 PHE HA 85 GLY HN 6.00 (# 878:10 Unique 3.64, 3.96 A)
&rst
ixpk= 878, nxpk= 10, iat=1320,1358, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 89 ILE HN 88 ASP HN 6.00 (# 881:10 Unique 2.74, 2.86 A)
&rst
ixpk= 881, nxpk= 10, iat=1395,1383, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 88 ASP HN 89 ILE HN 6.00 (# 883:10 Unique 2.74, 2.86 A)
&rst
ixpk= 883, nxpk= 10, iat=1383,1395, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 88 ASP HA 89 ILE HN 6.00 (# 885:10 Unique 3.57, 3.59 A)
&rst
ixpk= 885, nxpk= 10, iat=1385,1395, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 89 ILE QD1 89 ILE HN 6.00 (# 886:10 Unique 3.03, 4.70 A)
&rst
ixpk= 886, nxpk= 10, iat= -1,1395, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1=1408,1409,1410,
&end
#
# 89 ILE QD1 90 THR HN 6.00 (# 887:10 Unique 5.09, 5.85 A)
&rst
ixpk= 887, nxpk= 10, iat= -1,1414, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1=1408,1409,1410,
&end
#
# 90 THR HA 91 VAL HN 6.00 (# 889:10 Unique 3.56, 3.59 A)
&rst
ixpk= 889, nxpk= 10, iat=1416,1428, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 92 GLU HA 91 VAL HN 6.00 (# 890:10 Unique 5.45, 5.50 A)
&rst
ixpk= 890, nxpk= 10, iat=1446,1428, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:891 91 VAL HN 6.00 (# 891:10 Single Ambig)
&rst
ixpk= 891, nxpk= 10, iat= -1,1428, r1= 0.00, r2= 1.80, r3= 8.65, r4= 9.40,
igr1=1463,1464,1465,1500,1501,1500,1501,1549,1550,
&end
#
# 0 AMB 10-2:892 91 VAL HN 6.00 (# 892:10 Single Ambig)
&rst
ixpk= 892, nxpk= 10, iat= -1,1428, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 664, 665, 666,1401,1402,1403,
&end
#
# 91 VAL HA 92 GLU HN 6.00 (# 893:10 Unique 3.61, 3.63 A)
&rst
ixpk= 893, nxpk= 10, iat=1430,1444, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:894 92 GLU HN 6.00 (# 894:10 Single Ambig)
&rst
ixpk= 894, nxpk= 10, iat= -1,1444, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1397,1416,
&end
#
# 88 ASP HA 92 GLU HN 6.00 (# 896:10 Unique 3.88, 4.13 A)
&rst
ixpk= 896, nxpk= 10, iat=1385,1444, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:897 71 TRP HE1 8.00 (# 897:10 Single Ambig)
&rst
ixpk= 897, nxpk= 10, iat= -1,1132, r1= 0.00, r2= 1.80, r3=10.08, r4=10.83,
igr1=1328,1332,1365,1135,
&end
#
# 95 LYS HG+ 96 SER HN 6.00 (# 900:10 Unique 4.01, 4.87 A)
&rst
ixpk= 900, nxpk= 10, iat= -1,1512, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1497,1498,
&end
#
# 99 LEU HN 97 GLY HN 6.00 (# 901:10 Unique 3.71, 3.86 A)
&rst
ixpk= 901, nxpk= 10, iat=1545,1523, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 96 SER HB+ 97 GLY HN 6.00 (# 902:10 Unique 3.22, 3.86 A)
&rst
ixpk= 902, nxpk= 10, iat= -1,1523, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1516,1517,
&end
#
# 101 GLU HN 99 LEU HN 6.00 (# 903:10 Unique 4.12, 4.30 A)
&rst
ixpk= 903, nxpk= 10, iat=1581,1545, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 98 GLU HA 99 LEU HN 6.00 (# 904:10 Unique 3.57, 3.59 A)
&rst
ixpk= 904, nxpk= 10, iat=1532,1545, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:905 99 LEU HN 6.00 (# 905:10 Single Ambig)
&rst
ixpk= 905, nxpk= 10, iat= -1,1545, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1537,1538,1603,1604,
&end
#
# 0 AMB 10-2:906 0 AMB 10-1:906 6.00 (# 906:10 Double Ambig)
&rst
ixpk= 906, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.90, r4=11.65,
igr1= 960, 961, 960, 961, 941, 942,
igr2= 917, 918, 917, 918, 917, 918,
&end
#
# 58 ASN HB+ 58 ASN HD2- 6.00 (# 908:10 Unique 2.22, 3.31 A)
&rst
ixpk= 908, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 912, 913,
igr2= 917, 918,
&end
#
# 58 ASN HB- 58 ASN HD2- 6.00 (# 909:10 Unique 2.22, 3.31 A)
&rst
ixpk= 909, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 912, 913,
igr2= 917, 918,
&end
#
# 0 AMB 10-2:910 58 ASN HD2- 6.00 (# 910:10 Single Ambig)
&rst
ixpk= 910, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 960, 961, 960, 961, 941, 942,
igr2= 917, 918,
&end
#
# 0 AMB 10-2:911 58 ASN HD2- 6.00 (# 911:10 Single Ambig)
&rst
ixpk= 911, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.19, r4=10.94,
igr1= 965, 966, 967, 969, 970, 971, 965, 966, 967, 969,
970, 971,
igr2= 917, 918,
&end
#
# 99 LEU HN 100 GLN HN 6.00 (# 912:10 Unique 2.61, 2.70 A)
&rst
ixpk= 912, nxpk= 10, iat=1545,1564, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 102 GLN HN 100 GLN HN 6.00 (# 913:10 Unique 4.24, 4.38 A)
&rst
ixpk= 913, nxpk= 10, iat=1596,1564, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 99 LEU MDY 100 GLN HN 6.00 (# 914:10 Unique 3.47, 5.33 A)
&rst
ixpk= 914, nxpk= 10, iat= -1,1564, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1554,1555,1556,1558,1559,1560,
&end
#
# 46 LEU MDY 100 GLN HN 6.00 (# 915:10 Unique 3.65, 5.04 A)
&rst
ixpk= 915, nxpk= 10, iat= -1,1564, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 731, 732, 733, 735, 736, 737,
&end
#
# 99 LEU HN 101 GLU HN 6.00 (# 916:10 Unique 4.12, 4.30 A)
&rst
ixpk= 916, nxpk= 10, iat=1545,1581, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:917 101 GLU HN 6.00 (# 917:10 Single Ambig)
&rst
ixpk= 917, nxpk= 10, iat= -1,1581, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 731, 732, 733, 735, 736, 737,1619,1620,1621,1623,
1624,1625,
&end
#
# 0 AMB 10-2:918 0 AMB 10-1:918 6.00 (# 918:10 Double Ambig)
&rst
ixpk= 918, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.90, r4=11.65,
igr1=1271,1272,1273,1554,1555,1556,1558,1559,1560,
igr2=1608,1609,1608,1609,
&end
#
# 0 AMB 10-2:919 0 AMB 10-1:919 6.00 (# 919:10 Double Ambig)
&rst
ixpk= 919, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
igr1=1598, 924,
igr2=1608,1609,1011,1012,
&end
#
# 101 GLU HG- 102 GLN HE2- 6.00 (# 920:10 Unique 2.60, 5.93 A)
&rst
ixpk= 920, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1588,1589,
igr2=1608,1609,
&end
#
# 0 AMB 10-2:922 102 GLN HN 3.50 (# 922:10 Single Ambig)
&rst
ixpk= 922, nxpk= 10, iat= -1,1596, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1598,1583,
&end
#
# 0 AMB 10-2:923 102 GLN HN 6.00 (# 923:10 Single Ambig)
&rst
ixpk= 923, nxpk= 10, iat= -1,1596, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1547,1566,
&end
#
# 102 GLN HE2- 102 GLN HN 6.00 (# 924:10 Unique 2.48, 4.45 A)
&rst
ixpk= 924, nxpk= 10, iat= -1,1596, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1608,1609,
&end
#
# 105 LYS HN 103 VAL HN 6.00 (# 925:10 Unique 4.14, 4.21 A)
&rst
ixpk= 925, nxpk= 10, iat=1644,1613, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:926 103 VAL HN 6.00 (# 926:10 Single Ambig)
&rst
ixpk= 926, nxpk= 10, iat= -1,1613, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1603,1604,1636,1637,1636,1637,
&end
#
# 0 AMB 10-2:927 104 GLU HN 6.00 (# 927:10 Single Ambig)
&rst
ixpk= 927, nxpk= 10, iat= -1,1629, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1654,1655,1654,1655,1549,1550,
&end
#
# 104 GLU HB+ 104 GLU HN 2.80 (# 928:10 Unique 2.31, 2.60 A)
&rst
ixpk= 928, nxpk= 10, iat= -1,1629, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1633,1634,
&end
#
# 100 GLN HA 104 GLU HN 6.00 (# 929:10 Unique 3.57, 3.86 A)
&rst
ixpk= 929, nxpk= 10, iat=1566,1629, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:930 105 LYS HN 6.00 (# 930:10 Single Ambig)
&rst
ixpk= 930, nxpk= 10, iat= -1,1644, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1654,1655,1654,1655,
&end
#
# 107 MET HG- 106 ALA HN 6.00 (# 931:10 Unique 4.62, 5.56 A)
&rst
ixpk= 931, nxpk= 10, iat= -1,1666, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1683,1684,
&end
#
# 0 AMB 10-2:932 106 ALA HN 6.00 (# 932:10 Single Ambig)
&rst
ixpk= 932, nxpk= 10, iat= -1,1666, r1= 0.00, r2= 1.80, r3= 8.30, r4= 9.05,
igr1=1600,1601,1600,1601,1633,1634,1617,
&end
#
# 0 AMB 10-2:933 106 ALA HN 6.00 (# 933:10 Single Ambig)
&rst
ixpk= 933, nxpk= 10, iat= -1,1666, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1633,1634, 288, 289,1585,1586,
&end
#
# 0 AMB 10-2:934 106 ALA HN 6.00 (# 934:10 Single Ambig)
&rst
ixpk= 934, nxpk= 10, iat= -1,1666, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1288,1289,1680,1681,
&end
#
# 103 VAL MGX 106 ALA HN 6.00 (# 935:10 Unique 5.18, 6.02 A)
&rst
ixpk= 935, nxpk= 10, iat= -1,1666, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1619,1620,1621,1623,1624,1625,
&end
#
# 0 AMB 10-2:936 107 MET HN 4.50 (# 936:10 Single Ambig)
&rst
ixpk= 936, nxpk= 10, iat= -1,1676, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1680,1681,1683,1684,
&end
#
# 0 AMB 10-2:937 107 MET HN 6.00 (# 937:10 Single Ambig)
&rst
ixpk= 937, nxpk= 10, iat= -1,1676, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1648,1649,1648,1649,
&end
#
# 0 AMB 10-2:939 107 MET HN 6.00 (# 939:10 Single Ambig)
&rst
ixpk= 939, nxpk= 10, iat= -1,1676, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
igr1=1697,1698,1697,1698, 297, 298, 297, 298,
&end
#
# 107 MET HA 108 CYS HN 6.00 (# 940:10 Unique 3.57, 3.59 A)
&rst
ixpk= 940, nxpk= 10, iat=1678,1693, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 106 ALA HA 108 CYS HN 6.00 (# 941:10 Unique 4.47, 4.72 A)
&rst
ixpk= 941, nxpk= 10, iat=1668,1693, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 107 MET HA 109 SER HN 6.00 (# 942:10 Unique 3.94, 4.57 A)
&rst
ixpk= 942, nxpk= 10, iat=1678,1704, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 105 LYS HA 109 SER HN 6.00 (# 943:10 Unique 2.54, 3.65 A)
&rst
ixpk= 943, nxpk= 10, iat=1646,1704, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 88 ASP HA 90 THR HN 4.50 (# 944:10 Unique 4.36, 4.44 A)
&rst
ixpk= 944, nxpk= 10, iat=1385,1414, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:945 104 GLU HN 4.50 (# 945:10 Single Ambig)
&rst
ixpk= 945, nxpk= 10, iat= -1,1629, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1619,1620,1621,1623,1624,1625, 731, 732, 733, 735,
736, 737,
&end
#
# 0 AMB 10-2:946 27 THR HN 6.00 (# 946:10 Single Ambig)
&rst
ixpk= 946, nxpk= 10, iat= -1, 423, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 505, 841,
&end
#
# 8 LYS HB+ 7 LEU HN 6.00 (# 947:10 Unique 4.65, 5.51 A)
&rst
ixpk= 947, nxpk= 10, iat= -1, 88, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 111, 112,
&end
#
# 93 ALA HN 95 LYS HN 6.00 (# 948:10 Unique 4.10, 4.27 A)
&rst
ixpk= 948, nxpk= 10, iat=1459,1490, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 59 GLU HG+ 63 GLN HE2+ 8.00 (# 949:10 Unique 2.29, 5.86 A)
&rst
ixpk= 949, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.08, r4=10.83,
igr1= 929, 930,
igr2=1011,1012,
&end
#
# 94 TYR HD 95 LYS HN 6.00 (# 951:10 Unique 3.27, 4.58 A)
&rst
ixpk= 951, nxpk= 10, iat= -1,1490, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1477,1486,
&end
#
# 60 LEU HB+ 62 ARG HN 6.00 (# 952:10 Unique 4.81, 5.61 A)
&rst
ixpk= 952, nxpk= 10, iat= -1, 975, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 941, 942,
&end
#
# 61 LEU HA 62 ARG HN 6.00 (# 953:10 Unique 3.41, 3.58 A)
&rst
ixpk= 953, nxpk= 10, iat= 958, 975, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 60 LEU HA 64 GLY HN 6.00 (# 954:10 Unique 2.61, 3.68 A)
&rst
ixpk= 954, nxpk= 10, iat= 939,1016, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:955 66 LYS HN 6.00 (# 955:10 Single Ambig)
&rst
ixpk= 955, nxpk= 10, iat= -1,1042, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
1037,1038,
&end
#
# 65 LEU HA 66 LYS HN 6.00 (# 957:10 Unique 2.63, 3.52 A)
&rst
ixpk= 957, nxpk= 10, iat=1025,1042, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:960 67 GLU HN 6.00 (# 960:10 Single Ambig)
&rst
ixpk= 960, nxpk= 10, iat= -1,1064, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1055,1056,1083,1084,1083,1084,
&end
#
# 0 AMB 10-2:961 67 GLU HN 6.00 (# 961:10 Single Ambig)
&rst
ixpk= 961, nxpk= 10, iat= -1,1064, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1100,1016,
&end
#
# 0 AMB 10-2:962 69 SER HN 6.00 (# 962:10 Single Ambig)
&rst
ixpk= 962, nxpk= 10, iat= -1,1100, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
1037,1038,
&end
#
# 0 AMB 10-2:963 74 PHE HN 6.00 (# 963:10 Single Ambig)
&rst
ixpk= 963, nxpk= 10, iat= -1,1174, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
igr1=1212,1213,1212,1213,1215,1216,1215,1216,
&end
#
# 0 AMB 10-2:964 74 PHE HN 6.00 (# 964:10 Single Ambig)
&rst
ixpk= 964, nxpk= 10, iat= -1,1174, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1=1160,1182,1190,
&end
#
# 0 AMB 10-2:965 94 TYR HN 4.50 (# 965:10 Single Ambig)
&rst
ixpk= 965, nxpk= 10, iat= -1,1469, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1350,1477,1486,
&end
#
# 91 VAL HA 94 TYR HN 6.00 (# 966:10 Unique 3.41, 3.56 A)
&rst
ixpk= 966, nxpk= 10, iat=1430,1469, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 90 THR HA 94 TYR HN 6.00 (# 967:10 Unique 3.68, 3.93 A)
&rst
ixpk= 967, nxpk= 10, iat=1416,1469, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 99 LEU MDX 94 TYR HN 4.50 (# 968:10 Unique 3.50, 5.41 A)
&rst
ixpk= 968, nxpk= 10, iat= -1,1469, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1554,1555,1556,1558,1559,1560,
&end
#
# 99 LEU MDY 94 TYR HN 6.00 (# 969:10 Unique 3.50, 5.41 A)
&rst
ixpk= 969, nxpk= 10, iat= -1,1469, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1554,1555,1556,1558,1559,1560,
&end
#
# 0 AMB 10-2:970 94 TYR HN 4.50 (# 970:10 Single Ambig)
&rst
ixpk= 970, nxpk= 10, iat= -1,1469, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1420,1421,1422,1434,1435,1436,1438,1439,1440,
&end
#
# 0 AMB 10-2:971 94 TYR HN 6.00 (# 971:10 Single Ambig)
&rst
ixpk= 971, nxpk= 10, iat= -1,1469, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 664, 665, 666,1401,1402,1403,
&end
#
# 21 VAL HA 21 VAL HN 6.00 (# 972:10 Unique 2.98, 3.00 A)
&rst
ixpk= 972, nxpk= 10, iat= 324, 322, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 86 GLY HA+ 86 GLY HN 6.00 (# 974:10 Unique 2.30, 2.61 A)
&rst
ixpk= 974, nxpk= 10, iat= -1,1365, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1367,1368,
&end
#
# 86 GLY HA- 86 GLY HN 6.00 (# 975:10 Unique 2.30, 2.61 A)
&rst
ixpk= 975, nxpk= 10, iat= -1,1365, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1367,1368,
&end
#
# 0 AMB 10-2:977 9 THR HN 6.00 (# 977:10 Single Ambig)
&rst
ixpk= 977, nxpk= 10, iat= -1, 129, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 80, 90,
&end
#
# 9 THR HB 10 THR HN 3.50 (# 978:10 Unique 2.45, 2.64 A)
&rst
ixpk= 978, nxpk= 10, iat= 133, 143, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 13 LYS HA 15 VAL HN 6.00 (# 979:10 Unique 4.58, 4.75 A)
&rst
ixpk= 979, nxpk= 10, iat= 190, 226, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 12 ASP HA 15 VAL HN 6.00 (# 980:10 Unique 3.40, 3.63 A)
&rst
ixpk= 980, nxpk= 10, iat= 178, 226, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:981 15 VAL HN 6.00 (# 981:10 Single Ambig)
&rst
ixpk= 981, nxpk= 10, iat= -1, 226, r1= 0.00, r2= 1.80, r3= 7.85, r4= 8.60,
igr1= 248, 249, 250, 195, 196,
&end
#
# 13 LYS HA 16 THR HN 6.00 (# 983:10 Unique 3.42, 3.71 A)
&rst
ixpk= 983, nxpk= 10, iat= 190, 242, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 106 ALA MB 80 ASP HN 6.00 (# 985:10 Unique 2.34, 4.92 A)
&rst
ixpk= 985, nxpk= 10, iat= -1,1284, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1=1670,1671,1672,
&end
#
# 0 AMB 10-2:986 80 ASP HN 6.00 (# 986:10 Single Ambig)
&rst
ixpk= 986, nxpk= 10, iat= -1,1284, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1=1269, 288, 289,
&end
#
# 19 LYS HD+ 80 ASP HN 6.00 (# 987:10 Unique 3.28, 5.26 A)
&rst
ixpk= 987, nxpk= 10, iat= -1,1284, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 294, 295,
&end
#
# 19 LYS HB- 80 ASP HN 6.00 (# 988:10 Unique 2.50, 4.57 A)
&rst
ixpk= 988, nxpk= 10, iat= -1,1284, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 288, 289,
&end
#
# 7 LEU HB- 8 LYS HN 4.50 (# 989:10 Unique 2.26, 3.12 A)
&rst
ixpk= 989, nxpk= 10, iat= -1, 107, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 92, 93,
&end
#
# 69 SER HB+ 71 TRP HN 6.00 (# 990:10 Unique 2.42, 3.70 A)
&rst
ixpk= 990, nxpk= 10, iat= -1,1122, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1104,1105,
&end
#
# 24 MET HN 55 ILE HN 6.00 (# 991:10 Unique 2.82, 3.15 A)
&rst
ixpk= 991, nxpk= 10, iat= 377, 855, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 54 ASN HA 56 LEU HN 8.00 (# 992:10 Unique 3.56, 3.98 A)
&rst
ixpk= 992, nxpk= 10, iat= 843, 874, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 58 ASN HB+ 61 LEU HN 6.00 (# 993:10 Unique 2.76, 3.91 A)
&rst
ixpk= 993, nxpk= 10, iat= -1, 956, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 912, 913,
&end
#
# 71 TRP HN 69 SER HN 6.00 (# 994:10 Unique 4.06, 4.44 A)
&rst
ixpk= 994, nxpk= 10, iat=1122,1100, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 94 TYR HN 94 TYR HD 6.00 (# 0:25 Unique 4.55, 4.70 A)
&rst
ixpk= 0, nxpk= 25, iat=1469, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1477,1486,
&end
#
# 94 TYR HE 94 TYR HD 2.80 (# 1:25 Unique 2.48, 3.73 A)
&rst
ixpk= 1, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1479,1484,
igr2=1477,1486,
&end
#
# 94 TYR HA 94 TYR HD 4.50 (# 2:25 Unique 2.37, 3.51 A)
&rst
ixpk= 2, nxpk= 25, iat=1471, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1477,1486,
&end
#
# 94 TYR HB+ 94 TYR HD 4.50 (# 3:25 Unique 2.32, 3.08 A)
&rst
ixpk= 3, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1473,1474,
igr2=1477,1486,
&end
#
# 94 TYR HB- 94 TYR HD 4.50 (# 4:25 Unique 2.32, 3.08 A)
&rst
ixpk= 4, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1473,1474,
igr2=1477,1486,
&end
#
# 99 LEU MDX 94 TYR HD 4.50 (# 5:25 Unique 2.30, 6.18 A)
&rst
ixpk= 5, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1554,1555,1556,1558,1559,1560,
igr2=1477,1486,
&end
#
# 42 ILE QD1 94 TYR HD 6.00 (# 6:25 Unique 2.72, 4.81 A)
&rst
ixpk= 6, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 664, 665, 666,
igr2=1477,1486,
&end
#
# 42 ILE QG2 94 TYR HD 6.00 (# 7:25 Unique 2.56, 4.19 A)
&rst
ixpk= 7, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 657, 658, 659,
igr2=1477,1486,
&end
#
# 84 PHE HA 84 PHE HD 6.00 (# 8:25 Unique 2.55, 3.45 A)
&rst
ixpk= 8, nxpk= 25, iat=1340, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1346,1354,
&end
#
# 84 PHE HB- 84 PHE HD 6.00 (# 9:25 Unique 2.37, 3.08 A)
&rst
ixpk= 9, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1342,1343,
igr2=1346,1354,
&end
#
# 0 AMB 25-2:10 84 PHE HD 6.00 (# 10:25 Single Ambig)
&rst
ixpk= 10, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.81, r4= 9.56,
igr1=1463,1464,1465,1549,1550,
igr2=1346,1354,
&end
#
# 0 AMB 25-2:11 84 PHE HD 4.50 (# 11:25 Single Ambig)
&rst
ixpk= 11, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1234,1235,1236,1238,1239,1240,1401,1402,1403,
igr2=1346,1354,
&end
#
# 83 PHE HN 83 PHE HD 6.00 (# 12:25 Unique 2.03, 3.47 A)
&rst
ixpk= 12, nxpk= 25, iat=1318, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1326,1334,
&end
#
# 76 GLN HE2- 83 PHE HD 6.00 (# 13:25 Unique 2.90, 6.70 A)
&rst
ixpk= 13, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1220,1221,
igr2=1326,1334,
&end
#
# 0 AMB 25-2:14 83 PHE HD 4.50 (# 14:25 Single Ambig)
&rst
ixpk= 14, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1328,1332,1135,
igr2=1326,1334,
&end
#
# 83 PHE HA 83 PHE HD 4.50 (# 15:25 Unique 2.35, 4.12 A)
&rst
ixpk= 15, nxpk= 25, iat=1320, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1326,1334,
&end
#
# 83 PHE HB+ 83 PHE HD 6.00 (# 16:25 Unique 2.36, 3.08 A)
&rst
ixpk= 16, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1322,1323,
igr2=1326,1334,
&end
#
# 0 AMB 25-2:17 83 PHE HD 4.50 (# 17:25 Single Ambig)
&rst
ixpk= 17, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1322,1323,1126,1127,
igr2=1326,1334,
&end
#
# 81 GLY HN 68 TYR HD 8.00 (# 18:25 Unique 7.69, 9.43 A)
&rst
ixpk= 18, nxpk= 25, iat=1296, -1, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr2=1087,1096,
&end
#
# 78 TYR HH 68 TYR HD 6.00 (# 19:25 Unique 2.54, 5.29 A)
&rst
ixpk= 19, nxpk= 25, iat=1257, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1087,1096,
&end
#
# 68 TYR HH 68 TYR HD 4.50 (# 20:25 Unique 4.52, 4.95 A)
&rst
ixpk= 20, nxpk= 25, iat=1092, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1087,1096,
&end
#
# 68 TYR HA 68 TYR HD 4.50 (# 21:25 Unique 2.45, 3.55 A)
&rst
ixpk= 21, nxpk= 25, iat=1081, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1087,1096,
&end
#
# 0 AMB 25-2:22 68 TYR HD 4.50 (# 22:25 Single Ambig)
&rst
ixpk= 22, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1083,1084,1083,1084,
igr2=1087,1096,
&end
#
# 0 AMB 25-2:23 68 TYR HD 4.50 (# 23:25 Single Ambig)
&rst
ixpk= 23, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 40, 41, 42, 44, 45, 46, 40, 41, 42, 44,
45, 46,
igr2=1087,1096,
&end
#
# 0 AMB 25-2:24 68 TYR HD 4.50 (# 24:25 Single Ambig)
&rst
ixpk= 24, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
1037,1038, 166, 167, 168, 170, 171, 172,
igr2=1087,1096,
&end
#
# 50 PHE HN 50 PHE HD 4.50 (# 25:25 Unique 2.09, 3.76 A)
&rst
ixpk= 25, nxpk= 25, iat= 779, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 787, 795,
&end
#
# 50 PHE HB+ 50 PHE HD 4.50 (# 26:25 Unique 2.35, 3.08 A)
&rst
ixpk= 26, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 783, 784,
igr2= 787, 795,
&end
#
# 50 PHE HB- 50 PHE HD 4.50 (# 27:25 Unique 2.35, 3.08 A)
&rst
ixpk= 27, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 783, 784,
igr2= 787, 795,
&end
#
# 22 LEU HG 50 PHE HD 6.00 (# 28:25 Unique 3.53, 6.08 A)
&rst
ixpk= 28, nxpk= 25, iat= 345, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 787, 795,
&end
#
# 0 AMB 25-2:29 0 AMB 25-1:29 4.50 (# 29:25 Double Ambig)
&rst
ixpk= 29, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 550, 554, 481, 485,
igr2= 548, 556, 483,
&end
#
# 0 AMB 25-2:30 0 AMB 25-1:30 4.50 (# 30:25 Double Ambig)
&rst
ixpk= 30, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 548, 556, 483,
igr2= 550, 554, 481, 485,
&end
#
# 35 PHE HA 35 PHE HD 6.00 (# 31:25 Unique 2.43, 3.51 A)
&rst
ixpk= 31, nxpk= 25, iat= 542, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 548, 556,
&end
#
# 35 PHE HB+ 35 PHE HD 6.00 (# 32:25 Unique 2.28, 3.09 A)
&rst
ixpk= 32, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 544, 545,
igr2= 548, 556,
&end
#
# 23 PHE HN 23 PHE HD 4.50 (# 33:25 Unique 2.44, 3.92 A)
&rst
ixpk= 33, nxpk= 25, iat= 357, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 365, 373,
&end
#
# 76 GLN HE2- 23 PHE HD 4.50 (# 34:25 Unique 2.16, 5.48 A)
&rst
ixpk= 34, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1220,1221,
igr2= 365, 373,
&end
#
# 0 AMB 25-2:35 23 PHE HD 6.00 (# 35:25 Single Ambig)
&rst
ixpk= 35, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 359, 340,
igr2= 365, 373,
&end
#
# 23 PHE HB- 23 PHE HD 6.00 (# 36:25 Unique 2.36, 3.09 A)
&rst
ixpk= 36, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 361, 362,
igr2= 365, 373,
&end
#
# 53 VAL HB 23 PHE HD 4.50 (# 37:25 Unique 2.20, 3.92 A)
&rst
ixpk= 37, nxpk= 25, iat= 829, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 365, 373,
&end
#
# 53 VAL MGY 23 PHE HD 4.50 (# 38:25 Unique 2.71, 5.55 A)
&rst
ixpk= 38, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 831, 832, 833, 835, 836, 837,
igr2= 365, 373,
&end
#
# 0 AMB 25-2:39 23 PHE HD 6.00 (# 39:25 Single Ambig)
&rst
ixpk= 39, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.71, r4=10.46,
igr1= 861, 862, 863, 965, 966, 967, 969, 970, 971,
igr2= 365, 373,
&end
#
# 0 AMB 25-2:40 23 PHE HD 4.50 (# 40:25 Single Ambig)
&rst
ixpk= 40, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1032,1033,1034,1036,1037,1038, 328, 329, 330, 332,
333, 334,
igr2= 365, 373,
&end
#
# 23 PHE HD 23 PHE HZ 4.50 (# 41:25 Unique 4.29, 4.30 A)
&rst
ixpk= 41, nxpk= 25, iat= -1, 369, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 365, 373,
&end
#
# 23 PHE HE 23 PHE HZ 3.50 (# 42:25 Unique 2.47, 2.48 A)
&rst
ixpk= 42, nxpk= 25, iat= -1, 369, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 367, 371,
&end
#
# 21 VAL MGY 23 PHE HZ 4.50 (# 43:25 Unique 2.52, 4.58 A)
&rst
ixpk= 43, nxpk= 25, iat= -1, 369, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 328, 329, 330, 332, 333, 334,
&end
#
# 15 VAL MGY 23 PHE HZ 6.00 (# 44:25 Unique 2.59, 5.79 A)
&rst
ixpk= 44, nxpk= 25, iat= -1, 369, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 232, 233, 234, 236, 237, 238,
&end
#
# 14 VAL MGY 23 PHE HZ 6.00 (# 45:25 Unique 2.58, 5.90 A)
&rst
ixpk= 45, nxpk= 25, iat= -1, 369, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 216, 217, 218, 220, 221, 222,
&end
#
# 0 AMB 25-2:46 23 PHE HZ 6.00 (# 46:25 Single Ambig)
&rst
ixpk= 46, nxpk= 25, iat= -1, 369, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 328, 329, 330, 332, 333, 334,1032,1033,1034,1036,
1037,1038,
&end
#
# 30 PHE HB- 30 PHE HD 6.00 (# 47:25 Unique 2.34, 3.09 A)
&rst
ixpk= 47, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 475, 476,
igr2= 479, 487,
&end
#
# 71 TRP HE1 71 TRP HD1 6.00 (# 48:25 Unique 2.54, 2.55 A)
&rst
ixpk= 48, nxpk= 25, iat=1132,1130, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 71 TRP HZ2 71 TRP HD1 8.00 (# 49:25 Unique 5.07, 5.08 A)
&rst
ixpk= 49, nxpk= 25, iat=1135,1130, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 0 AMB 25-2:50 71 TRP HD1 6.00 (# 50:25 Single Ambig)
&rst
ixpk= 50, nxpk= 25, iat= -1,1130, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1212,1213,1212,1213,
&end
#
# 0 AMB 25-2:52 83 PHE HE 4.50 (# 52:25 Single Ambig)
&rst
ixpk= 52, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1326,1334, 367, 371,
igr2=1328,1332,
&end
#
# 0 AMB 25-2:54 83 PHE HE 4.50 (# 54:25 Single Ambig)
&rst
ixpk= 54, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1212,1213,1212,1213,1215,1216,1215,1216,
igr2=1328,1332,
&end
#
# 94 TYR HD 94 TYR HE 2.80 (# 55:25 Unique 2.48, 3.73 A)
&rst
ixpk= 55, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1477,1486,
igr2=1479,1484,
&end
#
# 0 AMB 25-2:56 94 TYR HE 4.50 (# 56:25 Single Ambig)
&rst
ixpk= 56, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 661, 662, 657, 658, 659,
igr2=1479,1484,
&end
#
# 42 ILE QD1 94 TYR HE 6.00 (# 57:25 Unique 3.81, 5.81 A)
&rst
ixpk= 57, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 664, 665, 666,
igr2=1479,1484,
&end
#
# 46 LEU MDX 94 TYR HE 6.00 (# 58:25 Unique 2.26, 6.03 A)
&rst
ixpk= 58, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 731, 732, 733, 735, 736, 737,
igr2=1479,1484,
&end
#
# 46 LEU MDY 94 TYR HE 4.50 (# 59:25 Unique 2.26, 6.03 A)
&rst
ixpk= 59, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 731, 732, 733, 735, 736, 737,
igr2=1479,1484,
&end
#
# 46 LEU HB- 94 TYR HE 4.50 (# 60:25 Unique 2.39, 5.70 A)
&rst
ixpk= 60, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 726, 727,
igr2=1479,1484,
&end
#
# 84 PHE HE 84 PHE HZ 3.50 (# 61:25 Unique 2.46, 2.48 A)
&rst
ixpk= 61, nxpk= 25, iat= -1,1350, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1348,1352,
&end
#
# 90 THR HA 84 PHE HZ 4.50 (# 62:25 Unique 3.62, 4.28 A)
&rst
ixpk= 62, nxpk= 25, iat=1416,1350, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:63 84 PHE HZ 6.00 (# 63:25 Single Ambig)
&rst
ixpk= 63, nxpk= 25, iat= -1,1350, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
igr1=1534,1535,1534,1535,1600,1601,1600,1601,
&end
#
# 0 AMB 25-2:64 84 PHE HZ 4.50 (# 64:25 Single Ambig)
&rst
ixpk= 64, nxpk= 25, iat= -1,1350, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1=1463,1464,1465,1549,1550,
&end
#
# 0 AMB 25-2:65 84 PHE HZ 6.00 (# 65:25 Single Ambig)
&rst
ixpk= 65, nxpk= 25, iat= -1,1350, r1= 0.00, r2= 1.80, r3= 8.65, r4= 9.40,
igr1=1401,1402,1403,1234,1235,1236,1238,1239,1240,
&end
#
# 84 PHE HZ 84 PHE HE 3.50 (# 66:25 Unique 2.46, 2.48 A)
&rst
ixpk= 66, nxpk= 25, iat=1350, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1348,1352,
&end
#
# 0 AMB 25-2:67 84 PHE HE 4.50 (# 67:25 Single Ambig)
&rst
ixpk= 67, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1463,1464,1465,1549,1550,
igr2=1348,1352,
&end
#
# 0 AMB 25-2:68 74 PHE HD 6.00 (# 68:25 Single Ambig)
&rst
ixpk= 68, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
igr1=1178,1179, 407, 408,
igr2=1182,1190,
&end
#
# 23 PHE HZ 23 PHE HE 4.50 (# 69:25 Unique 2.47, 2.48 A)
&rst
ixpk= 69, nxpk= 25, iat= 369, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 367, 371,
&end
#
# 21 VAL MGX 23 PHE HE 6.00 (# 70:25 Unique 2.34, 5.16 A)
&rst
ixpk= 70, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 328, 329, 330, 332, 333, 334,
igr2= 367, 371,
&end
#
# 15 VAL MGY 23 PHE HE 6.00 (# 71:25 Unique 3.46, 7.04 A)
&rst
ixpk= 71, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 232, 233, 234, 236, 237, 238,
igr2= 367, 371,
&end
#
# 14 VAL MGY 23 PHE HE 6.00 (# 72:25 Unique 2.53, 6.88 A)
&rst
ixpk= 72, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 216, 217, 218, 220, 221, 222,
igr2= 367, 371,
&end
#
# 0 AMB 25-2:73 50 PHE HE 6.00 (# 73:25 Single Ambig)
&rst
ixpk= 73, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.52, r4=10.27,
igr1= 693, 694, 693, 694, 342, 343, 498, 499,
igr2= 789, 793,
&end
#
# 40 VAL MGY 50 PHE HE 6.00 (# 74:25 Unique 2.43, 4.83 A)
&rst
ixpk= 74, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 624, 625, 626, 628, 629, 630,
igr2= 789, 793,
&end
#
# 0 AMB 25-2:75 50 PHE HE 4.50 (# 75:25 Single Ambig)
&rst
ixpk= 75, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 342, 343, 345,
igr2= 789, 793,
&end
#
# 43 LEU MDX 50 PHE HE 6.00 (# 76:25 Unique 5.04, 8.35 A)
&rst
ixpk= 76, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 679, 680, 681, 683, 684, 685,
igr2= 789, 793,
&end
#
# 40 VAL MGY 50 PHE HZ 4.50 (# 77:25 Unique 2.40, 4.48 A)
&rst
ixpk= 77, nxpk= 25, iat= -1, 791, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 624, 625, 626, 628, 629, 630,
&end
#
# 71 TRP HD1 71 TRP HZ3 8.00 (# 78:25 Unique 6.71, 6.72 A)
&rst
ixpk= 78, nxpk= 25, iat=1130,1139, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 89 ILE QD1 71 TRP HZ3 6.00 (# 79:25 Unique 2.54, 4.71 A)
&rst
ixpk= 79, nxpk= 25, iat= -1,1139, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1=1408,1409,1410,
&end
#
# 11 LEU HN 11 LEU HG 6.00 (# 0:20 Unique 2.25, 2.84 A)
&rst
ixpk= 0, nxpk= 20, iat= 157, 164, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 46 LEU HN 46 LEU HG 4.50 (# 1:20 Unique 2.57, 4.15 A)
&rst
ixpk= 1, nxpk= 20, iat= 722, 729, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 50 PHE HE 44 LYS HG+ 6.00 (# 2:20 Unique 2.29, 5.60 A)
&rst
ixpk= 2, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 789, 793,
igr2= 696, 697,
&end
#
# 44 LYS HN 44 LYS HG+ 6.00 (# 3:20 Unique 2.40, 4.03 A)
&rst
ixpk= 3, nxpk= 20, iat= 689, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 696, 697,
&end
#
# 0 AMB 20-2:4 44 LYS HG- 6.00 (# 4:20 Single Ambig)
&rst
ixpk= 4, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
igr1= 789, 793, 787, 795,
igr2= 696, 697,
&end
#
# 43 LEU HN 43 LEU HG 6.00 (# 6:20 Unique 2.15, 2.34 A)
&rst
ixpk= 6, nxpk= 20, iat= 670, 677, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 55 ILE HN 55 ILE HG1- 6.00 (# 7:20 Unique 2.10, 3.04 A)
&rst
ixpk= 7, nxpk= 20, iat= 855, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 865, 866,
&end
#
# 0 AMB 20-2:8 65 LEU MDY 4.50 (# 8:20 Single Ambig)
&rst
ixpk= 8, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 365, 373,1182,1190,
igr2=1032,1033,1034,1036,1037,1038,
&end
#
# 95 LYS HN 95 LYS HG- 6.00 (# 9:20 Unique 2.35, 3.14 A)
&rst
ixpk= 9, nxpk= 20, iat=1490, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1497,1498,
&end
#
# 0 AMB 20-2:10 60 LEU MDY 6.00 (# 10:20 Single Ambig)
&rst
ixpk= 10, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.19, r4=10.94,
igr1= 917, 918,1011,1012,
igr2= 946, 947, 948, 950, 951, 952,
&end
#
# 0 AMB 20-2:11 0 AMB 20-1:11 6.00 (# 11:20 Double Ambig)
&rst
ixpk= 11, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.31, r4=10.06,
igr1= 975, 416,
igr2= 946, 947, 948, 950, 951, 952, 881,
&end
#
# 68 TYR HD 0 AMB 20-1:12 4.50 (# 12:20 Single Ambig)
&rst
ixpk= 12, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1087,1096,
igr2=1032,1033,1034,1036,1037,1038, 166, 167, 168, 170,
171, 172,
&end
#
# 40 VAL HN 40 VAL MGX 2.80 (# 14:20 Unique 2.22, 3.54 A)
&rst
ixpk= 14, nxpk= 20, iat= 618, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 624, 625, 626, 628, 629, 630,
&end
#
# 0 AMB 20-2:15 40 VAL MGX 3.50 (# 15:20 Single Ambig)
&rst
ixpk= 15, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 791, 789, 793,
igr2= 624, 625, 626, 628, 629, 630,
&end
#
# 0 AMB 20-2:16 0 AMB 20-1:16 6.00 (# 16:20 Double Ambig)
&rst
ixpk= 16, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.44, r4=12.19,
igr1= 107,1225,
igr2= 40, 41, 42, 44, 45, 46, 40, 41, 42, 44,
45, 46, 347, 348, 349, 351, 352, 353, 347, 348,
349, 351, 352, 353,
&end
#
# 4 THR HN 0 AMB 20-1:17 6.00 (# 17:20 Single Ambig)
&rst
ixpk= 17, nxpk= 20, iat= 50, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr2= 40, 41, 42, 44, 45, 46, 40, 41, 42, 44,
45, 46,
&end
#
# 0 AMB 20-2:18 0 AMB 20-1:18 6.00 (# 18:20 Double Ambig)
&rst
ixpk= 18, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.44, r4=12.19,
igr1=1087,1096,1011,1012,
igr2= 40, 41, 42, 44, 45, 46, 40, 41, 42, 44,
45, 46,
&end
#
# 0 AMB 20-2:19 61 LEU MDY 6.00 (# 19:20 Single Ambig)
&rst
ixpk= 19, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.71, r4=10.46,
igr1= 369,1220,1221,
igr2= 965, 966, 967, 969, 970, 971,
&end
#
# 0 AMB 20-2:20 61 LEU MDX 6.00 (# 20:20 Single Ambig)
&rst
ixpk= 20, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.71, r4=10.46,
igr1= 369,1220,1221,
igr2= 965, 966, 967, 969, 970, 971,
&end
#
# 40 VAL HN 39 VAL MGY 6.00 (# 21:20 Unique 2.61, 4.56 A)
&rst
ixpk= 21, nxpk= 20, iat= 618, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 608, 609, 610, 612, 613, 614,
&end
#
# 39 VAL HN 39 VAL MGY 3.50 (# 22:20 Unique 2.27, 3.86 A)
&rst
ixpk= 22, nxpk= 20, iat= 602, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 608, 609, 610, 612, 613, 614,
&end
#
# 91 VAL HN 91 VAL MGY 2.80 (# 23:20 Unique 2.32, 3.92 A)
&rst
ixpk= 23, nxpk= 20, iat=1428, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1434,1435,1436,1438,1439,1440,
&end
#
# 23 PHE HD 65 LEU MDX 4.50 (# 24:20 Unique 2.21, 4.77 A)
&rst
ixpk= 24, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 365, 373,
igr2=1032,1033,1034,1036,1037,1038,
&end
#
# 68 TYR HD 65 LEU MDX 4.50 (# 25:20 Unique 2.43, 6.59 A)
&rst
ixpk= 25, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1087,1096,
igr2=1032,1033,1034,1036,1037,1038,
&end
#
# 21 VAL HN 20 VAL MGY 4.50 (# 26:20 Unique 2.38, 4.35 A)
&rst
ixpk= 26, nxpk= 20, iat= 322, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 312, 313, 314, 316, 317, 318,
&end
#
# 46 LEU HN 46 LEU MDY 4.50 (# 27:20 Unique 3.90, 5.03 A)
&rst
ixpk= 27, nxpk= 20, iat= 722, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 731, 732, 733, 735, 736, 737,
&end
#
# 94 TYR HD 46 LEU MDY 6.00 (# 28:20 Unique 2.24, 6.29 A)
&rst
ixpk= 28, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1477,1486,
igr2= 731, 732, 733, 735, 736, 737,
&end
#
# 94 TYR HE 46 LEU MDY 3.50 (# 29:20 Unique 2.26, 6.03 A)
&rst
ixpk= 29, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1479,1484,
igr2= 731, 732, 733, 735, 736, 737,
&end
#
# 7 LEU HN 0 AMB 20-1:30 6.00 (# 30:20 Single Ambig)
&rst
ixpk= 30, nxpk= 20, iat= 88, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr2= 97, 98, 99, 101, 102, 103, 97, 98, 99, 101,
102, 103,
&end
#
# 84 PHE HE 99 LEU MDY 6.00 (# 31:20 Unique 2.59, 5.17 A)
&rst
ixpk= 31, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1348,1352,
igr2=1554,1555,1556,1558,1559,1560,
&end
#
# 21 VAL HN 21 VAL MGY 4.50 (# 32:20 Unique 2.53, 4.20 A)
&rst
ixpk= 32, nxpk= 20, iat= 322, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 328, 329, 330, 332, 333, 334,
&end
#
# 0 AMB 20-2:33 21 VAL MGY 4.50 (# 33:20 Single Ambig)
&rst
ixpk= 33, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1252,1261,1254,1259,
igr2= 328, 329, 330, 332, 333, 334,
&end
#
# 103 VAL HN 103 VAL MGY 2.80 (# 34:20 Unique 2.43, 3.95 A)
&rst
ixpk= 34, nxpk= 20, iat=1613, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1619,1620,1621,1623,1624,1625,
&end
#
# 104 GLU HN 103 VAL MGY 6.00 (# 35:20 Unique 3.43, 4.66 A)
&rst
ixpk= 35, nxpk= 20, iat=1629, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2=1619,1620,1621,1623,1624,1625,
&end
#
# 11 LEU HN 11 LEU MDY 6.00 (# 36:20 Unique 2.34, 4.30 A)
&rst
ixpk= 36, nxpk= 20, iat= 157, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 166, 167, 168, 170, 171, 172,
&end
#
# 23 PHE HE 11 LEU MDY 8.00 (# 37:20 Unique 2.36, 5.14 A)
&rst
ixpk= 37, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=12.10, r4=12.85,
igr1= 367, 371,
igr2= 166, 167, 168, 170, 171, 172,
&end
#
# 23 PHE HZ 11 LEU MDY 8.00 (# 38:20 Unique 2.35, 4.24 A)
&rst
ixpk= 38, nxpk= 20, iat= 369, -1, r1= 0.00, r2= 1.80, r3=10.78, r4=11.53,
igr2= 166, 167, 168, 170, 171, 172,
&end
#
# 14 VAL HN 14 VAL MGX 2.80 (# 39:20 Unique 2.28, 3.62 A)
&rst
ixpk= 39, nxpk= 20, iat= 210, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 216, 217, 218, 220, 221, 222,
&end
#
# 4 THR HN 4 THR MG2 3.50 (# 40:20 Unique 2.04, 3.46 A)
&rst
ixpk= 40, nxpk= 20, iat= 50, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 56, 57, 58,
&end
#
# 54 ASN HD2- 27 THR MG2 6.00 (# 41:20 Unique 2.19, 4.90 A)
&rst
ixpk= 41, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 850, 851,
igr2= 429, 430, 431,
&end
#
# 55 ILE HN 55 ILE QG2 4.50 (# 42:20 Unique 2.17, 3.28 A)
&rst
ixpk= 42, nxpk= 20, iat= 855, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 861, 862, 863,
&end
#
# 0 AMB 20-2:43 55 ILE QG2 6.00 (# 43:20 Single Ambig)
&rst
ixpk= 43, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 365, 373,1182,1190,
igr2= 861, 862, 863,
&end
#
# 16 THR HN 16 THR MG2 3.50 (# 44:20 Unique 2.49, 3.46 A)
&rst
ixpk= 44, nxpk= 20, iat= 242, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 248, 249, 250,
&end
#
# 9 THR HN 9 THR MG2 6.00 (# 45:20 Unique 4.16, 4.42 A)
&rst
ixpk= 45, nxpk= 20, iat= 129, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 135, 136, 137,
&end
#
# 10 THR HN 9 THR MG2 6.00 (# 46:20 Unique 3.52, 4.43 A)
&rst
ixpk= 46, nxpk= 20, iat= 143, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 135, 136, 137,
&end
#
# 28 LYS HN 27 THR MG2 6.00 (# 47:20 Unique 2.76, 4.36 A)
&rst
ixpk= 47, nxpk= 20, iat= 437, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 429, 430, 431,
&end
#
# 0 AMB 20-2:48 27 THR MG2 4.50 (# 48:20 Single Ambig)
&rst
ixpk= 48, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 423, 479, 487,
igr2= 429, 430, 431,
&end
#
# 0 AMB 20-2:49 27 THR MG2 6.00 (# 49:20 Single Ambig)
&rst
ixpk= 49, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.65, r4= 9.40,
igr1= 459, 850, 851,
igr2= 429, 430, 431,
&end
#
# 0 AMB 20-2:50 40 VAL MGY 4.50 (# 50:20 Single Ambig)
&rst
ixpk= 50, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 791, 789, 793,
igr2= 624, 625, 626, 628, 629, 630,
&end
#
# 15 VAL HN 14 VAL MGY 6.00 (# 51:20 Unique 2.46, 4.33 A)
&rst
ixpk= 51, nxpk= 20, iat= 226, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 216, 217, 218, 220, 221, 222,
&end
#
# 0 AMB 20-2:52 14 VAL MGY 4.50 (# 52:20 Single Ambig)
&rst
ixpk= 52, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 369, 277,
igr2= 216, 217, 218, 220, 221, 222,
&end
#
# 0 AMB 20-2:53 14 VAL MGY 4.50 (# 53:20 Single Ambig)
&rst
ixpk= 53, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 280, 367, 371,
igr2= 216, 217, 218, 220, 221, 222,
&end
#
# 56 LEU HN 56 LEU MDY 6.00 (# 54:20 Unique 2.69, 4.58 A)
&rst
ixpk= 54, nxpk= 20, iat= 874, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 883, 884, 885, 887, 888, 889,
&end
#
# 14 VAL HN 14 VAL MGY 4.50 (# 55:20 Unique 2.28, 3.62 A)
&rst
ixpk= 55, nxpk= 20, iat= 210, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 216, 217, 218, 220, 221, 222,
&end
#
# 103 VAL HN 103 VAL MGX 4.50 (# 56:20 Unique 2.43, 3.95 A)
&rst
ixpk= 56, nxpk= 20, iat=1613, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1619,1620,1621,1623,1624,1625,
&end
#
# 104 GLU HN 103 VAL MGX 6.00 (# 57:20 Unique 3.43, 4.66 A)
&rst
ixpk= 57, nxpk= 20, iat=1629, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2=1619,1620,1621,1623,1624,1625,
&end
#
# 22 LEU HN 21 VAL MGX 3.50 (# 58:20 Unique 2.48, 4.28 A)
&rst
ixpk= 58, nxpk= 20, iat= 338, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 328, 329, 330, 332, 333, 334,
&end
#
# 23 PHE HZ 21 VAL MGX 4.50 (# 59:20 Unique 2.52, 4.58 A)
&rst
ixpk= 59, nxpk= 20, iat= 369, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 328, 329, 330, 332, 333, 334,
&end
#
# 91 VAL HN 91 VAL MGX 4.50 (# 60:20 Unique 2.32, 3.92 A)
&rst
ixpk= 60, nxpk= 20, iat=1428, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1434,1435,1436,1438,1439,1440,
&end
#
# 92 GLU HN 91 VAL MGX 6.00 (# 61:20 Unique 3.29, 4.62 A)
&rst
ixpk= 61, nxpk= 20, iat=1444, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2=1434,1435,1436,1438,1439,1440,
&end
#
# 0 AMB 20-2:62 21 VAL MGX 6.00 (# 62:20 Single Ambig)
&rst
ixpk= 62, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.71, r4=10.46,
igr1= 367, 371, 280,
igr2= 328, 329, 330, 332, 333, 334,
&end
#
# 11 LEU HN 10 THR MG2 6.00 (# 63:20 Unique 3.47, 4.31 A)
&rst
ixpk= 63, nxpk= 20, iat= 157, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 149, 150, 151,
&end
#
# 0 AMB 20-2:64 10 THR MG2 6.00 (# 64:20 Single Ambig)
&rst
ixpk= 64, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.65, r4= 9.40,
igr1= 917, 918, 143,
igr2= 149, 150, 151,
&end
#
# 21 VAL HN 20 VAL MGX 6.00 (# 65:20 Unique 2.38, 4.35 A)
&rst
ixpk= 65, nxpk= 20, iat= 322, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 312, 313, 314, 316, 317, 318,
&end
#
# 15 VAL HN 15 VAL MGY 3.50 (# 66:20 Unique 2.17, 3.75 A)
&rst
ixpk= 66, nxpk= 20, iat= 226, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 232, 233, 234, 236, 237, 238,
&end
#
# 23 PHE HZ 15 VAL MGY 8.00 (# 67:20 Unique 2.59, 5.79 A)
&rst
ixpk= 67, nxpk= 20, iat= 369, -1, r1= 0.00, r2= 1.80, r3=10.78, r4=11.53,
igr2= 232, 233, 234, 236, 237, 238,
&end
#
# 23 PHE HE 15 VAL MGY 4.50 (# 68:20 Unique 3.46, 7.04 A)
&rst
ixpk= 68, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 367, 371,
igr2= 232, 233, 234, 236, 237, 238,
&end
#
# 43 LEU HN 43 LEU MDY 4.50 (# 69:20 Unique 3.29, 4.36 A)
&rst
ixpk= 69, nxpk= 20, iat= 670, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 679, 680, 681, 683, 684, 685,
&end
#
# 0 AMB 20-2:70 0 AMB 20-1:70 4.50 (# 70:20 Double Ambig)
&rst
ixpk= 70, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 306, 825, 841,
igr2= 312, 313, 314, 316, 317, 318, 831, 832, 833, 835,
836, 837,
&end
#
# 23 PHE HD 53 VAL MGY 4.50 (# 71:20 Unique 2.71, 5.55 A)
&rst
ixpk= 71, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 365, 373,
igr2= 831, 832, 833, 835, 836, 837,
&end
#
# 23 PHE HZ 53 VAL MGY 4.50 (# 72:20 Unique 3.04, 5.33 A)
&rst
ixpk= 72, nxpk= 20, iat= 369, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 831, 832, 833, 835, 836, 837,
&end
#
# 0 AMB 20-2:73 53 VAL MGX 3.50 (# 73:20 Single Ambig)
&rst
ixpk= 73, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 825, 841,
igr2= 831, 832, 833, 835, 836, 837,
&end
#
# 23 PHE HZ 53 VAL MGX 4.50 (# 74:20 Unique 3.04, 5.33 A)
&rst
ixpk= 74, nxpk= 20, iat= 369, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 831, 832, 833, 835, 836, 837,
&end
#
# 94 TYR HN 93 ALA MB 4.50 (# 75:20 Unique 2.66, 3.52 A)
&rst
ixpk= 75, nxpk= 20, iat=1469, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1463,1464,1465,
&end
#
# 93 ALA HN 93 ALA MB 2.80 (# 76:20 Unique 2.38, 2.82 A)
&rst
ixpk= 76, nxpk= 20, iat=1459, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1463,1464,1465,
&end
#
# 99 LEU HN 93 ALA MB 4.50 (# 77:20 Unique 2.49, 3.59 A)
&rst
ixpk= 77, nxpk= 20, iat=1545, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1463,1464,1465,
&end
#
# 84 PHE HZ 93 ALA MB 2.80 (# 78:20 Unique 2.16, 2.81 A)
&rst
ixpk= 78, nxpk= 20, iat=1350, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1463,1464,1465,
&end
#
# 84 PHE HE 93 ALA MB 6.00 (# 79:20 Unique 2.24, 4.00 A)
&rst
ixpk= 79, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1348,1352,
igr2=1463,1464,1465,
&end
#
# 48 ALA HN 48 ALA MB 2.80 (# 80:20 Unique 2.69, 3.33 A)
&rst
ixpk= 80, nxpk= 20, iat= 755, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 759, 760, 761,
&end
#
# 15 VAL HN 15 VAL MGX 3.50 (# 81:20 Unique 2.17, 3.75 A)
&rst
ixpk= 81, nxpk= 20, iat= 226, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 232, 233, 234, 236, 237, 238,
&end
#
# 16 THR HN 15 VAL MGX 6.00 (# 82:20 Unique 2.63, 4.42 A)
&rst
ixpk= 82, nxpk= 20, iat= 242, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 232, 233, 234, 236, 237, 238,
&end
#
# 68 TYR HH 15 VAL MGX 4.50 (# 83:20 Unique 2.74, 5.36 A)
&rst
ixpk= 83, nxpk= 20, iat=1092, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 232, 233, 234, 236, 237, 238,
&end
#
# 107 MET HN 106 ALA MB 4.50 (# 84:20 Unique 2.56, 3.53 A)
&rst
ixpk= 84, nxpk= 20, iat=1676, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1670,1671,1672,
&end
#
# 106 ALA HN 106 ALA MB 2.80 (# 85:20 Unique 2.43, 2.86 A)
&rst
ixpk= 85, nxpk= 20, iat=1666, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1670,1671,1672,
&end
#
# 7 LEU HN 6 ALA MB 4.50 (# 86:20 Unique 2.20, 3.42 A)
&rst
ixpk= 86, nxpk= 20, iat= 88, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 82, 83, 84,
&end
#
# 32 GLN HN 24 MET ME 4.50 (# 87:20 Unique 2.48, 3.72 A)
&rst
ixpk= 87, nxpk= 20, iat= 505, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 388, 389, 390,
&end
#
# 40 VAL HN 24 MET ME 6.00 (# 88:20 Unique 5.36, 6.72 A)
&rst
ixpk= 88, nxpk= 20, iat= 618, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 388, 389, 390,
&end
#
# 27 THR HN 24 MET ME 6.00 (# 89:20 Unique 2.71, 4.85 A)
&rst
ixpk= 89, nxpk= 20, iat= 423, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 388, 389, 390,
&end
#
# 0 AMB 20-2:90 79 ILE QG2 6.00 (# 90:20 Single Ambig)
&rst
ixpk= 90, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1265,1613,
igr2=1271,1272,1273,
&end
#
# 84 PHE HZ 89 ILE QG2 6.00 (# 91:20 Unique 4.50, 6.30 A)
&rst
ixpk= 91, nxpk= 20, iat=1350, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2=1401,1402,1403,
&end
#
# 89 ILE HN 89 ILE QG2 6.00 (# 92:20 Unique 2.04, 4.12 A)
&rst
ixpk= 92, nxpk= 20, iat=1395, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2=1401,1402,1403,
&end
#
# 42 ILE HN 42 ILE QG2 6.00 (# 93:20 Unique 4.14, 4.47 A)
&rst
ixpk= 93, nxpk= 20, iat= 651, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 657, 658, 659,
&end
#
# 43 LEU HN 42 ILE QG2 6.00 (# 94:20 Unique 2.74, 3.78 A)
&rst
ixpk= 94, nxpk= 20, iat= 670, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 657, 658, 659,
&end
#
# 94 TYR HD 42 ILE QG2 4.50 (# 95:20 Unique 2.56, 4.19 A)
&rst
ixpk= 95, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1477,1486,
igr2= 657, 658, 659,
&end
#
# 22 LEU HN 22 LEU HB+ 4.50 (# 96:20 Unique 2.23, 2.79 A)
&rst
ixpk= 96, nxpk= 20, iat= 338, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 342, 343,
&end
#
# 0 AMB 20-2:97 0 AMB 20-1:97 6.00 (# 97:20 Double Ambig)
&rst
ixpk= 97, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.52, r4=10.27,
igr1= 787, 795, 789, 793,
igr2= 342, 343, 342, 343,
&end
#
# 0 AMB 20-2:98 0 AMB 20-1:98 4.50 (# 98:20 Double Ambig)
&rst
ixpk= 98, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1365,1135,
igr2=1360,1361,1360,1361,
&end
#
# 0 AMB 20-2:99 85 GLY HA- 4.50 (# 99:20 Single Ambig)
&rst
ixpk= 99, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1365,1135,
igr2=1360,1361,
&end
#
# 94 TYR HD 42 ILE QD1 6.00 (# 100:20 Unique 2.72, 4.81 A)
&rst
ixpk= 100, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1477,1486,
igr2= 664, 665, 666,
&end
#
# 77 LEU HN 77 LEU HB- 6.00 (# 101:20 Unique 2.30, 2.58 A)
&rst
ixpk= 101, nxpk= 20, iat=1225, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1229,1230,
&end
#
# 0 AMB 20-2:102 89 ILE QD1 4.50 (# 102:20 Single Ambig)
&rst
ixpk= 102, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1365,1135,
igr2=1408,1409,1410,
&end
#
# 71 TRP HZ3 89 ILE QD1 4.50 (# 103:20 Unique 2.54, 4.71 A)
&rst
ixpk= 103, nxpk= 20, iat=1139, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1408,1409,1410,
&end
#
# 84 PHE HD 79 ILE QD1 4.50 (# 104:20 Unique 2.25, 4.94 A)
&rst
ixpk= 104, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1346,1354,
igr2=1278,1279,1280,
&end
#
# 68 TYR HH 8 LYS HE+ 6.00 (# 107:20 Unique 3.43, 6.13 A)
&rst
ixpk= 107, nxpk= 20, iat=1092, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 120, 121,
&end
#
# 46 LEU HN 46 LEU HB+ 4.50 (# 108:20 Unique 2.13, 2.50 A)
&rst
ixpk= 108, nxpk= 20, iat= 722, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 726, 727,
&end
#
# 65 LEU HN 65 LEU HB- 4.50 (# 109:20 Unique 2.24, 2.62 A)
&rst
ixpk= 109, nxpk= 20, iat=1023, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1027,1028,
&end
#
# 46 LEU HN 46 LEU HB- 6.00 (# 110:20 Unique 2.13, 2.50 A)
&rst
ixpk= 110, nxpk= 20, iat= 722, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 726, 727,
&end
#
# 66 LYS HN 65 LEU HB- 6.00 (# 111:20 Unique 1.99, 3.37 A)
&rst
ixpk= 111, nxpk= 20, iat=1042, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1027,1028,
&end
#
# 62 ARG HN 0 AMB 20-1:112 4.50 (# 112:20 Single Ambig)
&rst
ixpk= 112, nxpk= 20, iat= 975, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 960, 961, 960, 961,
&end
#
# 61 LEU HN 0 AMB 20-1:113 2.80 (# 113:20 Single Ambig)
&rst
ixpk= 113, nxpk= 20, iat= 956, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2= 960, 961, 960, 961,
&end
#
# 65 LEU HN 65 LEU HB+ 4.50 (# 114:20 Unique 2.24, 2.62 A)
&rst
ixpk= 114, nxpk= 20, iat=1023, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1027,1028,
&end
#
# 66 LYS HN 65 LEU HB+ 4.50 (# 115:20 Unique 1.99, 3.37 A)
&rst
ixpk= 115, nxpk= 20, iat=1042, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1027,1028,
&end
#
# 74 PHE HE 65 LEU HB+ 8.00 (# 116:20 Unique 2.61, 5.11 A)
&rst
ixpk= 116, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.08, r4=10.83,
igr1=1184,1188,
igr2=1027,1028,
&end
#
# 7 LEU HN 7 LEU HB- 4.50 (# 117:20 Unique 2.29, 2.49 A)
&rst
ixpk= 117, nxpk= 20, iat= 88, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 92, 93,
&end
#
# 50 PHE HD 50 PHE HB+ 3.50 (# 118:20 Unique 2.35, 3.08 A)
&rst
ixpk= 118, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 787, 795,
igr2= 783, 784,
&end
#
# 51 GLU HN 50 PHE HB- 6.00 (# 119:20 Unique 2.39, 3.37 A)
&rst
ixpk= 119, nxpk= 20, iat= 799, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 783, 784,
&end
#
# 50 PHE HD 50 PHE HB- 6.00 (# 120:20 Unique 2.35, 3.08 A)
&rst
ixpk= 120, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 787, 795,
igr2= 783, 784,
&end
#
# 7 LEU HN 7 LEU HB+ 4.50 (# 121:20 Unique 2.29, 2.49 A)
&rst
ixpk= 121, nxpk= 20, iat= 88, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 92, 93,
&end
#
# 84 PHE HD 84 PHE HB+ 4.50 (# 122:20 Unique 2.37, 3.08 A)
&rst
ixpk= 122, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1346,1354,
igr2=1342,1343,
&end
#
# 84 PHE HN 84 PHE HB+ 6.00 (# 123:20 Unique 2.46, 2.68 A)
&rst
ixpk= 123, nxpk= 20, iat=1338, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1342,1343,
&end
#
# 84 PHE HD 84 PHE HB- 4.50 (# 124:20 Unique 2.37, 3.08 A)
&rst
ixpk= 124, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1346,1354,
igr2=1342,1343,
&end
#
# 29 ASP HN 29 ASP HB+ 6.00 (# 125:20 Unique 2.37, 2.69 A)
&rst
ixpk= 125, nxpk= 20, iat= 459, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 463, 464,
&end
#
# 29 ASP HN 29 ASP HB- 4.50 (# 126:20 Unique 2.37, 2.69 A)
&rst
ixpk= 126, nxpk= 20, iat= 459, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 463, 464,
&end
#
# 60 LEU HN 60 LEU HB+ 3.50 (# 127:20 Unique 2.34, 2.96 A)
&rst
ixpk= 127, nxpk= 20, iat= 937, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 941, 942,
&end
#
# 61 LEU HN 60 LEU HB+ 6.00 (# 128:20 Unique 2.41, 3.35 A)
&rst
ixpk= 128, nxpk= 20, iat= 956, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 941, 942,
&end
#
# 79 ILE HN 79 ILE HB 6.00 (# 129:20 Unique 2.96, 3.22 A)
&rst
ixpk= 129, nxpk= 20, iat=1265,1269, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 60 LEU HN 60 LEU HB- 4.50 (# 130:20 Unique 2.34, 2.96 A)
&rst
ixpk= 130, nxpk= 20, iat= 937, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 941, 942,
&end
#
# 0 AMB 20-2:131 28 LYS HE- 6.00 (# 131:20 Single Ambig)
&rst
ixpk= 131, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 791, 789, 793,
igr2= 450, 451,
&end
#
# 56 LEU HN 56 LEU HB- 6.00 (# 132:20 Unique 2.12, 2.95 A)
&rst
ixpk= 132, nxpk= 20, iat= 874, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 878, 879,
&end
#
# 99 LEU HN 99 LEU HB+ 4.50 (# 133:20 Unique 2.21, 2.51 A)
&rst
ixpk= 133, nxpk= 20, iat=1545, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1549,1550,
&end
#
# 99 LEU HN 99 LEU HB- 6.00 (# 134:20 Unique 2.21, 2.51 A)
&rst
ixpk= 134, nxpk= 20, iat=1545, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1549,1550,
&end
#
# 68 TYR HD 0 AMB 20-1:135 2.80 (# 135:20 Single Ambig)
&rst
ixpk= 135, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1087,1096,
igr2=1083,1084,1083,1084,
&end
#
# 68 TYR HN 0 AMB 20-1:136 3.50 (# 136:20 Single Ambig)
&rst
ixpk= 136, nxpk= 20, iat=1079, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2=1083,1084,1083,1084,
&end
#
# 56 LEU HN 56 LEU HB+ 6.00 (# 137:20 Unique 2.12, 2.95 A)
&rst
ixpk= 137, nxpk= 20, iat= 874, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 878, 879,
&end
#
# 43 LEU HN 43 LEU HB+ 6.00 (# 138:20 Unique 2.35, 2.98 A)
&rst
ixpk= 138, nxpk= 20, iat= 670, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 674, 675,
&end
#
# 43 LEU HN 43 LEU HB- 6.00 (# 139:20 Unique 2.35, 2.98 A)
&rst
ixpk= 139, nxpk= 20, iat= 670, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 674, 675,
&end
#
# 74 PHE HD 74 PHE HB+ 4.50 (# 140:20 Unique 2.32, 3.08 A)
&rst
ixpk= 140, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1182,1190,
igr2=1178,1179,
&end
#
# 74 PHE HD 74 PHE HB- 4.50 (# 141:20 Unique 2.32, 3.08 A)
&rst
ixpk= 141, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1182,1190,
igr2=1178,1179,
&end
#
# 13 LYS HN 12 ASP HB+ 6.00 (# 142:20 Unique 2.48, 3.22 A)
&rst
ixpk= 142, nxpk= 20, iat= 188, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 180, 181,
&end
#
# 12 ASP HN 12 ASP HB- 3.50 (# 143:20 Unique 2.44, 2.49 A)
&rst
ixpk= 143, nxpk= 20, iat= 176, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 180, 181,
&end
#
# 13 LYS HN 12 ASP HB- 4.50 (# 144:20 Unique 2.48, 3.22 A)
&rst
ixpk= 144, nxpk= 20, iat= 188, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 180, 181,
&end
#
# 12 ASP HN 12 ASP HB+ 4.50 (# 145:20 Unique 2.44, 2.49 A)
&rst
ixpk= 145, nxpk= 20, iat= 176, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 180, 181,
&end
#
# 11 LEU HN 11 LEU HB+ 4.50 (# 146:20 Unique 2.15, 2.95 A)
&rst
ixpk= 146, nxpk= 20, iat= 157, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 161, 162,
&end
#
# 89 ILE HN 0 AMB 20-1:147 6.00 (# 147:20 Single Ambig)
&rst
ixpk= 147, nxpk= 20, iat=1395, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr2=1387,1388,1387,1388,
&end
#
# 0 AMB 20-2:148 0 AMB 20-1:148 6.00 (# 148:20 Double Ambig)
&rst
ixpk= 148, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1383, 922,
igr2=1387,1388,1387,1388, 912, 913,
&end
#
# 0 AMB 20-2:149 58 ASN HB- 6.00 (# 149:20 Single Ambig)
&rst
ixpk= 149, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 917, 918, 908,
igr2= 912, 913,
&end
#
# 0 AMB 20-2:150 0 AMB 20-1:150 4.50 (# 150:20 Double Ambig)
&rst
ixpk= 150, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 365, 373,1182,1190,
igr2= 361, 362, 361, 362,
&end
#
# 0 AMB 20-2:151 23 PHE HB- 3.50 (# 151:20 Single Ambig)
&rst
ixpk= 151, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 365, 373,1182,1190,
igr2= 361, 362,
&end
#
# 30 PHE HN 30 PHE HB+ 6.00 (# 152:20 Unique 2.54, 3.05 A)
&rst
ixpk= 152, nxpk= 20, iat= 471, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 475, 476,
&end
#
# 0 AMB 20-2:153 30 PHE HB- 4.50 (# 153:20 Single Ambig)
&rst
ixpk= 153, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 479, 487, 423,
igr2= 475, 476,
&end
#
# 0 AMB 20-2:154 0 AMB 20-1:154 4.50 (# 154:20 Double Ambig)
&rst
ixpk= 154, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 479, 487, 423,
igr2= 475, 476, 475, 476,
&end
#
# 30 PHE HN 30 PHE HB- 4.50 (# 155:20 Unique 2.54, 3.05 A)
&rst
ixpk= 155, nxpk= 20, iat= 471, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 475, 476,
&end
#
# 89 ILE HN 89 ILE HB 4.50 (# 156:20 Unique 2.42, 2.54 A)
&rst
ixpk= 156, nxpk= 20, iat=1395,1399, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 90 THR HN 89 ILE HB 4.50 (# 157:20 Unique 2.52, 3.13 A)
&rst
ixpk= 157, nxpk= 20, iat=1414,1399, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 94 TYR HD 94 TYR HB+ 4.50 (# 158:20 Unique 2.32, 3.08 A)
&rst
ixpk= 158, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1477,1486,
igr2=1473,1474,
&end
#
# 94 TYR HN 94 TYR HB+ 4.50 (# 159:20 Unique 2.32, 2.46 A)
&rst
ixpk= 159, nxpk= 20, iat=1469, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1473,1474,
&end
#
# 94 TYR HN 94 TYR HB- 4.50 (# 160:20 Unique 2.32, 2.46 A)
&rst
ixpk= 160, nxpk= 20, iat=1469, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1473,1474,
&end
#
# 94 TYR HD 94 TYR HB- 3.50 (# 161:20 Unique 2.32, 3.08 A)
&rst
ixpk= 161, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1477,1486,
igr2=1473,1474,
&end
#
# 54 ASN HN 54 ASN HB+ 4.50 (# 162:20 Unique 2.35, 2.79 A)
&rst
ixpk= 162, nxpk= 20, iat= 841, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 845, 846,
&end
#
# 54 ASN HD2+ 54 ASN HB+ 4.50 (# 163:20 Unique 2.24, 3.22 A)
&rst
ixpk= 163, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 850, 851,
igr2= 845, 846,
&end
#
# 0 AMB 20-2:164 0 AMB 20-1:164 4.50 (# 164:20 Double Ambig)
&rst
ixpk= 164, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1318,1338,
igr2=1322,1323,1322,1323,
&end
#
# 83 PHE HD 83 PHE HB+ 4.50 (# 165:20 Unique 2.36, 3.08 A)
&rst
ixpk= 165, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1326,1334,
igr2=1322,1323,
&end
#
# 54 ASN HN 54 ASN HB- 6.00 (# 166:20 Unique 2.35, 2.79 A)
&rst
ixpk= 166, nxpk= 20, iat= 841, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 845, 846,
&end
#
# 83 PHE HD 83 PHE HB- 4.50 (# 167:20 Unique 2.36, 3.08 A)
&rst
ixpk= 167, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1326,1334,
igr2=1322,1323,
&end
#
# 0 AMB 20-2:168 83 PHE HB- 3.50 (# 168:20 Single Ambig)
&rst
ixpk= 168, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1318,1338,
igr2=1322,1323,
&end
#
# 40 VAL HN 40 VAL HA 4.50 (# 169:20 Unique 2.84, 2.86 A)
&rst
ixpk= 169, nxpk= 20, iat= 618, 620, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:170 40 VAL HA 4.50 (# 170:20 Single Ambig)
&rst
ixpk= 170, nxpk= 20, iat= -1, 620, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 787, 795, 789, 793, 791,
&end
#
# 42 ILE HN 42 ILE HB 4.50 (# 171:20 Unique 2.14, 2.23 A)
&rst
ixpk= 171, nxpk= 20, iat= 651, 655, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 47 ASN HN 47 ASN HB+ 6.00 (# 172:20 Unique 3.52, 3.81 A)
&rst
ixpk= 172, nxpk= 20, iat= 741, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 745, 746,
&end
#
# 47 ASN HD2+ 47 ASN HB- 4.50 (# 173:20 Unique 2.32, 3.22 A)
&rst
ixpk= 173, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 750, 751,
igr2= 745, 746,
&end
#
# 47 ASN HN 47 ASN HB- 4.50 (# 174:20 Unique 3.52, 3.81 A)
&rst
ixpk= 174, nxpk= 20, iat= 741, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 745, 746,
&end
#
# 103 VAL HN 103 VAL HA 4.50 (# 175:20 Unique 2.87, 2.89 A)
&rst
ixpk= 175, nxpk= 20, iat=1613,1615, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 96 SER HN 98 GLU HG+ 4.50 (# 176:20 Unique 4.64, 5.44 A)
&rst
ixpk= 176, nxpk= 20, iat=1512, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1537,1538,
&end
#
# 96 SER HN 98 GLU HG- 6.00 (# 177:20 Unique 4.64, 5.44 A)
&rst
ixpk= 177, nxpk= 20, iat=1512, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1537,1538,
&end
#
# 67 GLU HN 67 GLU HG+ 6.00 (# 178:20 Unique 2.17, 3.53 A)
&rst
ixpk= 178, nxpk= 20, iat=1064, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1071,1072,
&end
#
# 57 GLU HN 0 AMB 20-1:179 4.50 (# 179:20 Single Ambig)
&rst
ixpk= 179, nxpk= 20, iat= 893, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 900, 901, 900, 901,
&end
#
# 101 GLU HN 101 GLU HG+ 4.50 (# 180:20 Unique 2.64, 4.39 A)
&rst
ixpk= 180, nxpk= 20, iat=1581, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1588,1589,
&end
#
# 92 GLU HN 92 GLU HG+ 3.50 (# 181:20 Unique 2.37, 3.05 A)
&rst
ixpk= 181, nxpk= 20, iat=1444, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1451,1452,
&end
#
# 101 GLU HN 101 GLU HG- 4.50 (# 182:20 Unique 2.64, 4.39 A)
&rst
ixpk= 182, nxpk= 20, iat=1581, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1588,1589,
&end
#
# 0 AMB 20-2:183 0 AMB 20-1:183 4.50 (# 183:20 Double Ambig)
&rst
ixpk= 183, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1064,1608,1609, 908,
igr2=1071,1072,1588,1589, 900, 901,
&end
#
# 0 AMB 20-2:184 0 AMB 20-1:184 6.00 (# 184:20 Double Ambig)
&rst
ixpk= 184, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1011,1012,1303,
igr2= 929, 930,1310,1311,
&end
#
# 0 AMB 20-2:185 42 ILE HA 6.00 (# 185:20 Single Ambig)
&rst
ixpk= 185, nxpk= 20, iat= -1, 653, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 670, 711,
&end
#
# 42 ILE HN 42 ILE HA 4.50 (# 186:20 Unique 2.82, 2.85 A)
&rst
ixpk= 186, nxpk= 20, iat= 651, 653, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 53 VAL HN 53 VAL HB 4.50 (# 187:20 Unique 2.39, 2.54 A)
&rst
ixpk= 187, nxpk= 20, iat= 825, 829, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 23 PHE HD 53 VAL HB 4.50 (# 188:20 Unique 2.20, 3.92 A)
&rst
ixpk= 188, nxpk= 20, iat= -1, 829, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 365, 373,
&end
#
# 100 GLN HE2+ 100 GLN HG+ 3.50 (# 189:20 Unique 2.28, 3.42 A)
&rst
ixpk= 189, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1576,1577,
igr2=1571,1572,
&end
#
# 100 GLN HE2+ 100 GLN HG- 6.00 (# 190:20 Unique 2.28, 3.42 A)
&rst
ixpk= 190, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1576,1577,
igr2=1571,1572,
&end
#
# 41 GLN HN 41 GLN HG+ 4.50 (# 191:20 Unique 2.48, 4.09 A)
&rst
ixpk= 191, nxpk= 20, iat= 634, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 641, 642,
&end
#
# 41 GLN HN 41 GLN HG- 6.00 (# 192:20 Unique 2.48, 4.09 A)
&rst
ixpk= 192, nxpk= 20, iat= 634, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 641, 642,
&end
#
# 32 GLN HN 0 AMB 20-1:193 4.50 (# 193:20 Single Ambig)
&rst
ixpk= 193, nxpk= 20, iat= 505, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 512, 513, 512, 513,
&end
#
# 102 GLN HN 102 GLN HG+ 4.50 (# 194:20 Unique 2.37, 3.45 A)
&rst
ixpk= 194, nxpk= 20, iat=1596, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1603,1604,
&end
#
# 102 GLN HE2- 102 GLN HG+ 4.50 (# 195:20 Unique 2.20, 3.40 A)
&rst
ixpk= 195, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1608,1609,
igr2=1603,1604,
&end
#
# 38 THR HN 0 AMB 20-1:196 6.00 (# 196:20 Single Ambig)
&rst
ixpk= 196, nxpk= 20, iat= 588, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr2= 578, 579, 578, 579,
&end
#
# 63 GLN HN 0 AMB 20-1:197 3.50 (# 197:20 Single Ambig)
&rst
ixpk= 197, nxpk= 20, iat= 999, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2=1006,1007,1006,1007,
&end
#
# 82 GLU HN 82 GLU HB+ 6.00 (# 198:20 Unique 2.54, 3.15 A)
&rst
ixpk= 198, nxpk= 20, iat=1303, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1307,1308,
&end
#
# 83 PHE HN 82 GLU HB+ 6.00 (# 199:20 Unique 2.57, 3.63 A)
&rst
ixpk= 199, nxpk= 20, iat=1318, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1307,1308,
&end
#
# 28 LYS HN 28 LYS HB+ 6.00 (# 200:20 Unique 2.25, 2.70 A)
&rst
ixpk= 200, nxpk= 20, iat= 437, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 441, 442,
&end
#
# 28 LYS HN 28 LYS HB- 6.00 (# 201:20 Unique 2.25, 2.70 A)
&rst
ixpk= 201, nxpk= 20, iat= 437, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 441, 442,
&end
#
# 71 TRP HZ2 0 AMB 20-1:202 6.00 (# 202:20 Single Ambig)
&rst
ixpk= 202, nxpk= 20, iat=1135, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr2=1212,1213,1212,1213,
&end
#
# 0 AMB 20-2:203 0 AMB 20-1:203 6.00 (# 203:20 Double Ambig)
&rst
ixpk= 203, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.19, r4=10.94,
igr1=1182,1190, 365, 373,
igr2=1212,1213,1212,1213,1212,1213,
&end
#
# 8 LYS HN 8 LYS HB- 4.50 (# 204:20 Unique 2.30, 2.94 A)
&rst
ixpk= 204, nxpk= 20, iat= 107, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 111, 112,
&end
#
# 25 LYS HN 25 LYS HB- 4.50 (# 205:20 Unique 2.31, 2.96 A)
&rst
ixpk= 205, nxpk= 20, iat= 394, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 398, 399,
&end
#
# 66 LYS HN 66 LYS HB- 4.50 (# 206:20 Unique 2.34, 2.86 A)
&rst
ixpk= 206, nxpk= 20, iat=1042, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1046,1047,
&end
#
# 95 LYS HN 0 AMB 20-1:207 4.50 (# 207:20 Single Ambig)
&rst
ixpk= 207, nxpk= 20, iat=1490, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2=1494,1495,1494,1495,
&end
#
# 0 AMB 20-2:208 0 AMB 20-1:208 2.80 (# 208:20 Double Ambig)
&rst
ixpk= 208, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 505, 689,
igr2= 498, 499, 693, 694, 693, 694,
&end
#
# 105 LYS HN 0 AMB 20-1:209 2.80 (# 209:20 Single Ambig)
&rst
ixpk= 209, nxpk= 20, iat=1644, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2=1648,1649,1648,1649,
&end
#
# 9 THR HN 8 LYS HB+ 6.00 (# 210:20 Unique 2.58, 3.21 A)
&rst
ixpk= 210, nxpk= 20, iat= 129, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 111, 112,
&end
#
# 8 LYS HN 8 LYS HB+ 4.50 (# 211:20 Unique 2.30, 2.94 A)
&rst
ixpk= 211, nxpk= 20, iat= 107, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 111, 112,
&end
#
# 66 LYS HN 66 LYS HB+ 4.50 (# 212:20 Unique 2.34, 2.86 A)
&rst
ixpk= 212, nxpk= 20, iat=1042, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1046,1047,
&end
#
# 107 MET HN 0 AMB 20-1:213 6.00 (# 213:20 Single Ambig)
&rst
ixpk= 213, nxpk= 20, iat=1676, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr2=1680,1681,1683,1684,
&end
#
# 107 MET HN 107 MET HB+ 3.50 (# 214:20 Unique 2.24, 2.98 A)
&rst
ixpk= 214, nxpk= 20, iat=1676, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1680,1681,
&end
#
# 107 MET HN 107 MET HG- 6.00 (# 215:20 Unique 2.34, 3.16 A)
&rst
ixpk= 215, nxpk= 20, iat=1676, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1683,1684,
&end
#
# 92 GLU HN 91 VAL HB 3.50 (# 216:20 Unique 2.65, 2.79 A)
&rst
ixpk= 216, nxpk= 20, iat=1444,1432, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 91 VAL HN 91 VAL HB 3.50 (# 217:20 Unique 2.33, 2.42 A)
&rst
ixpk= 217, nxpk= 20, iat=1428,1432, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 18 HIS HD2 14 VAL HB 6.00 (# 218:20 Unique 2.33, 6.51 A)
&rst
ixpk= 218, nxpk= 20, iat= 280, 214, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 15 VAL HN 14 VAL HB 6.00 (# 219:20 Unique 2.55, 3.21 A)
&rst
ixpk= 219, nxpk= 20, iat= 226, 214, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 14 VAL HN 14 VAL HB 3.50 (# 220:20 Unique 2.32, 2.96 A)
&rst
ixpk= 220, nxpk= 20, iat= 210, 214, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 13 LYS HN 0 AMB 20-1:221 2.80 (# 221:20 Single Ambig)
&rst
ixpk= 221, nxpk= 20, iat= 188, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2= 192, 193, 192, 193,
&end
#
# 51 GLU HN 51 GLU HB+ 6.00 (# 222:20 Unique 2.46, 2.96 A)
&rst
ixpk= 222, nxpk= 20, iat= 799, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 803, 804,
&end
#
# 50 PHE HN 49 PRO HB+ 8.00 (# 223:20 Unique 2.21, 3.48 A)
&rst
ixpk= 223, nxpk= 20, iat= 779, -1, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr2= 772, 773,
&end
#
# 40 VAL HN 40 VAL HB 3.50 (# 224:20 Unique 2.28, 3.07 A)
&rst
ixpk= 224, nxpk= 20, iat= 618, 622, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 103 VAL HN 103 VAL HB 2.80 (# 225:20 Unique 2.34, 2.40 A)
&rst
ixpk= 225, nxpk= 20, iat=1613,1617, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 104 GLU HN 103 VAL HB 2.80 (# 226:20 Unique 2.79, 2.82 A)
&rst
ixpk= 226, nxpk= 20, iat=1629,1617, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 51 GLU HN 51 GLU HB- 6.00 (# 227:20 Unique 2.46, 2.96 A)
&rst
ixpk= 227, nxpk= 20, iat= 799, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 803, 804,
&end
#
# 39 VAL HN 39 VAL HB 4.50 (# 228:20 Unique 2.31, 2.55 A)
&rst
ixpk= 228, nxpk= 20, iat= 602, 606, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 62 ARG HN 0 AMB 20-1:229 2.80 (# 229:20 Single Ambig)
&rst
ixpk= 229, nxpk= 20, iat= 975, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2= 979, 980, 979, 980,
&end
#
# 98 GLU HN 0 AMB 20-1:230 2.80 (# 230:20 Single Ambig)
&rst
ixpk= 230, nxpk= 20, iat=1530, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2=1534,1535,1534,1535,
&end
#
# 57 GLU HN 57 GLU HB- 6.00 (# 231:20 Unique 2.24, 2.79 A)
&rst
ixpk= 231, nxpk= 20, iat= 893, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 897, 898,
&end
#
# 67 GLU HN 0 AMB 20-1:232 3.50 (# 232:20 Single Ambig)
&rst
ixpk= 232, nxpk= 20, iat=1064, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2=1068,1069,1068,1069,
&end
#
# 32 GLN HN 32 GLN HB- 6.00 (# 233:20 Unique 2.35, 3.21 A)
&rst
ixpk= 233, nxpk= 20, iat= 505, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 509, 510,
&end
#
# 102 GLN HN 0 AMB 20-1:234 4.50 (# 234:20 Single Ambig)
&rst
ixpk= 234, nxpk= 20, iat=1596, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2=1585,1586,1585,1586,
&end
#
# 101 GLU HN 0 AMB 20-1:235 3.50 (# 235:20 Single Ambig)
&rst
ixpk= 235, nxpk= 20, iat=1581, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2=1585,1586,1585,1586,
&end
#
# 89 ILE HN 89 ILE HG1- 6.00 (# 236:20 Unique 2.06, 3.35 A)
&rst
ixpk= 236, nxpk= 20, iat=1395, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1405,1406,
&end
#
# 0 AMB 20-2:237 0 AMB 20-1:237 6.00 (# 237:20 Double Ambig)
&rst
ixpk= 237, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.52, r4=10.27,
igr1= 789, 793, 787, 795,
igr2= 447, 448, 447, 448,
&end
#
# 92 GLU HN 0 AMB 20-1:238 2.80 (# 238:20 Single Ambig)
&rst
ixpk= 238, nxpk= 20, iat=1444, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2=1448,1449,1448,1449,
&end
#
# 42 ILE HN 42 ILE HG1- 6.00 (# 239:20 Unique 2.37, 3.18 A)
&rst
ixpk= 239, nxpk= 20, iat= 651, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 661, 662,
&end
#
# 104 GLU HN 104 GLU HB+ 2.80 (# 240:20 Unique 2.31, 2.60 A)
&rst
ixpk= 240, nxpk= 20, iat=1629, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1633,1634,
&end
#
# 93 ALA HN 0 AMB 20-1:241 4.50 (# 241:20 Single Ambig)
&rst
ixpk= 241, nxpk= 20, iat=1459, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2=1448,1449,1448,1449,
&end
#
# 104 GLU HN 104 GLU HB- 3.50 (# 242:20 Unique 2.31, 2.60 A)
&rst
ixpk= 242, nxpk= 20, iat=1629, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1633,1634,
&end
#
# 105 LYS HN 104 GLU HB- 4.50 (# 243:20 Unique 2.51, 3.21 A)
&rst
ixpk= 243, nxpk= 20, iat=1644, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1633,1634,
&end
#
# 37 GLN HN 37 GLN HB+ 4.50 (# 244:20 Unique 2.33, 2.59 A)
&rst
ixpk= 244, nxpk= 20, iat= 571, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 575, 576,
&end
#
# 37 GLN HN 37 GLN HB- 4.50 (# 245:20 Unique 2.33, 2.59 A)
&rst
ixpk= 245, nxpk= 20, iat= 571, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 575, 576,
&end
#
# 0 AMB 20-2:246 83 PHE HA 2.80 (# 246:20 Single Ambig)
&rst
ixpk= 246, nxpk= 20, iat= -1,1320, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1338,1318,
&end
#
# 83 PHE HD 83 PHE HA 4.50 (# 247:20 Unique 2.35, 4.12 A)
&rst
ixpk= 247, nxpk= 20, iat= -1,1320, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1326,1334,
&end
#
# 63 GLN HN 0 AMB 20-1:248 4.50 (# 248:20 Single Ambig)
&rst
ixpk= 248, nxpk= 20, iat= 999, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2=1003,1004,1003,1004,
&end
#
# 0 AMB 20-2:249 22 LEU HG 4.50 (# 249:20 Single Ambig)
&rst
ixpk= 249, nxpk= 20, iat= -1, 345, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 787, 795, 789, 793,
&end
#
# 94 TYR HD 99 LEU MDX 4.50 (# 250:20 Unique 2.30, 6.18 A)
&rst
ixpk= 250, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1477,1486,
igr2=1554,1555,1556,1558,1559,1560,
&end
#
# 0 AMB 20-2:251 0 AMB 20-1:251 4.50 (# 251:20 Double Ambig)
&rst
ixpk= 251, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1693,1704,
igr2=1697,1698,1697,1698,1697,1698,
&end
#
# 41 GLN HN 41 GLN HB+ 3.50 (# 252:20 Unique 2.32, 2.63 A)
&rst
ixpk= 252, nxpk= 20, iat= 634, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 638, 639,
&end
#
# 42 ILE HN 41 GLN HB+ 6.00 (# 253:20 Unique 2.53, 3.29 A)
&rst
ixpk= 253, nxpk= 20, iat= 651, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 638, 639,
&end
#
# 41 GLN HN 41 GLN HB- 2.80 (# 254:20 Unique 2.32, 2.63 A)
&rst
ixpk= 254, nxpk= 20, iat= 634, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 638, 639,
&end
#
# 103 VAL HN 0 AMB 20-1:255 4.50 (# 255:20 Single Ambig)
&rst
ixpk= 255, nxpk= 20, iat=1613, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2=1600,1601,1600,1601,
&end
#
# 102 GLN HN 0 AMB 20-1:256 2.80 (# 256:20 Single Ambig)
&rst
ixpk= 256, nxpk= 20, iat=1596, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2=1600,1601,1600,1601,
&end
#
# 103 VAL HN 0 AMB 20-1:257 4.50 (# 257:20 Single Ambig)
&rst
ixpk= 257, nxpk= 20, iat=1613, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2=1600,1601,1600,1601,
&end
#
# 65 LEU HN 65 LEU HG 6.00 (# 258:20 Unique 2.41, 3.97 A)
&rst
ixpk= 258, nxpk= 20, iat=1023,1030, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 42 ILE HN 41 GLN HB- 6.00 (# 259:20 Unique 2.53, 3.29 A)
&rst
ixpk= 259, nxpk= 20, iat= 651, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 638, 639,
&end
#
# 101 GLU HN 100 GLN HB- 4.50 (# 260:20 Unique 2.42, 3.18 A)
&rst
ixpk= 260, nxpk= 20, iat=1581, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1568,1569,
&end
#
# 61 LEU HN 61 LEU HG 6.00 (# 262:20 Unique 2.40, 3.57 A)
&rst
ixpk= 262, nxpk= 20, iat= 956, 963, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 84 PHE HD 77 LEU MDX 6.00 (# 263:20 Unique 2.38, 5.48 A)
&rst
ixpk= 263, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1346,1354,
igr2=1234,1235,1236,1238,1239,1240,
&end
#
# 88 ASP HN 87 CYS HB+ 6.00 (# 264:20 Unique 2.62, 3.38 A)
&rst
ixpk= 264, nxpk= 20, iat=1383, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1376,1377,
&end
#
# 60 LEU HN 60 LEU HG 4.50 (# 265:20 Unique 2.11, 3.07 A)
&rst
ixpk= 265, nxpk= 20, iat= 937, 944, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:266 0 AMB 20-1:266 4.50 (# 266:20 Double Ambig)
&rst
ixpk= 266, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 357,1208,
igr2= 347, 348, 349, 351, 352, 353, 347, 348, 349, 351,
352, 353,
&end
#
# 78 TYR HN 77 LEU HG 4.50 (# 267:20 Unique 2.41, 3.24 A)
&rst
ixpk= 267, nxpk= 20, iat=1244,1232, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 78 TYR HN 78 TYR HB+ 4.50 (# 268:20 Unique 2.37, 2.85 A)
&rst
ixpk= 268, nxpk= 20, iat=1244, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1248,1249,
&end
#
# 0 AMB 20-2:269 23 PHE HB- 4.50 (# 269:20 Single Ambig)
&rst
ixpk= 269, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 357,1208, 377,
igr2= 361, 362,
&end
#
# 100 GLN HN 100 GLN HB+ 4.50 (# 270:20 Unique 2.40, 2.74 A)
&rst
ixpk= 270, nxpk= 20, iat=1564, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1568,1569,
&end
#
# 100 GLN HN 100 GLN HB- 4.50 (# 271:20 Unique 2.40, 2.74 A)
&rst
ixpk= 271, nxpk= 20, iat=1564, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1568,1569,
&end
#
# 57 GLU HN 57 GLU HA 4.50 (# 272:20 Unique 2.22, 2.78 A)
&rst
ixpk= 272, nxpk= 20, iat= 893, 895, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 107 MET HN 107 MET HA 3.50 (# 273:20 Unique 2.86, 2.91 A)
&rst
ixpk= 273, nxpk= 20, iat=1676,1678, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:274 107 MET HA 6.00 (# 274:20 Single Ambig)
&rst
ixpk= 274, nxpk= 20, iat= -1,1678, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1693,1704,
&end
#
# 56 LEU HN 56 LEU HA 6.00 (# 275:20 Unique 2.24, 2.89 A)
&rst
ixpk= 275, nxpk= 20, iat= 874, 876, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 33 CYS HN 32 GLN HA 6.00 (# 276:20 Unique 2.13, 2.53 A)
&rst
ixpk= 276, nxpk= 20, iat= 522, 507, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 32 GLN HN 32 GLN HA 6.00 (# 277:20 Unique 2.25, 2.88 A)
&rst
ixpk= 277, nxpk= 20, iat= 505, 507, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 20-2:278 0 AMB 20-1:278 4.50 (# 278:20 Double Ambig)
&rst
ixpk= 278, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 267,1252,1261,
igr2= 269,1286,
&end
#
# 4 THR HN 3 LEU HA 3.50 (# 279:20 Unique 2.18, 2.94 A)
&rst
ixpk= 279, nxpk= 20, iat= 50, 33, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 46 LEU HN 46 LEU HA 4.50 (# 280:20 Unique 2.82, 2.84 A)
&rst
ixpk= 280, nxpk= 20, iat= 722, 724, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 81 GLY HN 80 ASP HA 4.50 (# 281:20 Unique 2.16, 3.04 A)
&rst
ixpk= 281, nxpk= 20, iat=1296,1286, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:282 47 ASN HA 2.80 (# 282:20 Single Ambig)
&rst
ixpk= 282, nxpk= 20, iat= -1, 743, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 755, 750, 751,
&end
#
# 47 ASN HN 47 ASN HA 2.80 (# 283:20 Unique 2.29, 2.36 A)
&rst
ixpk= 283, nxpk= 20, iat= 741, 743, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 106 ALA HN 106 ALA HA 4.50 (# 284:20 Unique 2.85, 2.86 A)
&rst
ixpk= 284, nxpk= 20, iat=1666,1668, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 52 SER HN 51 GLU HA 2.80 (# 285:20 Unique 2.15, 2.32 A)
&rst
ixpk= 285, nxpk= 20, iat= 814, 801, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 64 GLY HN 64 GLY HA+ 4.50 (# 286:20 Unique 2.25, 2.58 A)
&rst
ixpk= 286, nxpk= 20, iat=1016, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1018,1019,
&end
#
# 81 GLY HN 81 GLY HA+ 4.50 (# 287:20 Unique 2.30, 2.74 A)
&rst
ixpk= 287, nxpk= 20, iat=1296, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1298,1299,
&end
#
# 97 GLY HN 97 GLY HA- 3.50 (# 288:20 Unique 2.34, 2.66 A)
&rst
ixpk= 288, nxpk= 20, iat=1523, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1525,1526,
&end
#
# 97 GLY HN 97 GLY HA+ 4.50 (# 289:20 Unique 2.34, 2.66 A)
&rst
ixpk= 289, nxpk= 20, iat=1523, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1525,1526,
&end
#
# 98 GLU HN 97 GLY HA+ 4.50 (# 290:20 Unique 3.23, 3.30 A)
&rst
ixpk= 290, nxpk= 20, iat=1530, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1525,1526,
&end
#
# 0 AMB 20-2:291 0 AMB 20-1:291 4.50 (# 291:20 Double Ambig)
&rst
ixpk= 291, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 423, 479, 487,
igr2= 418, 419, 418, 419,
&end
#
# 26 GLY HN 26 GLY HA- 4.50 (# 292:20 Unique 2.29, 2.73 A)
&rst
ixpk= 292, nxpk= 20, iat= 416, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 418, 419,
&end
#
# 0 AMB 20-2:293 26 GLY HA- 4.50 (# 293:20 Single Ambig)
&rst
ixpk= 293, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 423, 479, 487,
igr2= 418, 419,
&end
#
# 32 GLN HN 26 GLY HA+ 4.50 (# 294:20 Unique 3.35, 5.08 A)
&rst
ixpk= 294, nxpk= 20, iat= 505, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 418, 419,
&end
#
# 74 PHE HN 73 THR HB 4.50 (# 295:20 Unique 2.09, 3.28 A)
&rst
ixpk= 295, nxpk= 20, iat=1174,1164, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 28 LYS HN 27 THR HB 3.50 (# 296:20 Unique 1.94, 2.45 A)
&rst
ixpk= 296, nxpk= 20, iat= 437, 427, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 90 THR HN 90 THR HA 4.50 (# 297:20 Unique 2.86, 2.87 A)
&rst
ixpk= 297, nxpk= 20, iat=1414,1416, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 84 PHE HZ 90 THR HA 4.50 (# 298:20 Unique 3.62, 4.28 A)
&rst
ixpk= 298, nxpk= 20, iat=1350,1416, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 38 THR HN 38 THR HB 3.50 (# 299:20 Unique 2.49, 2.65 A)
&rst
ixpk= 299, nxpk= 20, iat= 588, 592, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 39 VAL HN 38 THR HB 4.50 (# 300:20 Unique 2.39, 2.51 A)
&rst
ixpk= 300, nxpk= 20, iat= 602, 592, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 10 THR HN 10 THR HB 3.50 (# 301:20 Unique 2.45, 2.53 A)
&rst
ixpk= 301, nxpk= 20, iat= 143, 147, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 11 LEU HN 10 THR HB 4.50 (# 302:20 Unique 2.37, 2.50 A)
&rst
ixpk= 302, nxpk= 20, iat= 157, 147, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 9 THR HN 9 THR HB 3.50 (# 303:20 Unique 2.24, 2.44 A)
&rst
ixpk= 303, nxpk= 20, iat= 129, 133, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 10 THR HN 9 THR HB 4.50 (# 304:20 Unique 2.45, 2.64 A)
&rst
ixpk= 304, nxpk= 20, iat= 143, 133, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 91 VAL HN 90 THR HB 6.00 (# 305:20 Unique 2.53, 2.60 A)
&rst
ixpk= 305, nxpk= 20, iat=1428,1418, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 90 THR HN 90 THR HB 4.50 (# 306:20 Unique 2.54, 2.59 A)
&rst
ixpk= 306, nxpk= 20, iat=1414,1418, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 10 THR HN 10 THR HA 4.50 (# 307:20 Unique 2.86, 2.89 A)
&rst
ixpk= 307, nxpk= 20, iat= 143, 145, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 38 THR HN 38 THR HA 2.80 (# 308:20 Unique 2.80, 2.83 A)
&rst
ixpk= 308, nxpk= 20, iat= 588, 590, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 14 VAL HN 14 VAL HA 3.50 (# 309:20 Unique 2.83, 2.84 A)
&rst
ixpk= 309, nxpk= 20, iat= 210, 212, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 9 THR HN 9 THR HA 4.50 (# 310:20 Unique 2.78, 2.82 A)
&rst
ixpk= 310, nxpk= 20, iat= 129, 131, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:311 0 AMB 20-1:311 4.50 (# 311:20 Double Ambig)
&rst
ixpk= 311, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 814, 825,
igr2= 818, 819, 818, 819,
&end
#
# 0 AMB 20-2:312 0 AMB 20-1:312 4.50 (# 312:20 Double Ambig)
&rst
ixpk= 312, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 789, 793, 787, 795,
igr2= 818, 819, 818, 819,
&end
#
# 15 VAL HN 15 VAL HA 6.00 (# 313:20 Unique 2.80, 2.85 A)
&rst
ixpk= 313, nxpk= 20, iat= 226, 228, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 109 SER HN 0 AMB 20-1:314 4.50 (# 314:20 Single Ambig)
&rst
ixpk= 314, nxpk= 20, iat=1704, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2=1708,1709,1708,1709,
&end
#
# 96 SER HN 96 SER HB+ 6.00 (# 315:20 Unique 2.51, 3.10 A)
&rst
ixpk= 315, nxpk= 20, iat=1512, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1516,1517,
&end
#
# 96 SER HN 96 SER HB- 4.50 (# 316:20 Unique 2.51, 3.10 A)
&rst
ixpk= 316, nxpk= 20, iat=1512, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1516,1517,
&end
#
# 17 SER HN 17 SER HB+ 6.00 (# 317:20 Unique 2.46, 3.10 A)
&rst
ixpk= 317, nxpk= 20, iat= 256, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 260, 261,
&end
#
# 32 GLN HN 31 PRO HA 3.50 (# 318:20 Unique 2.27, 2.51 A)
&rst
ixpk= 318, nxpk= 20, iat= 505, 501, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 45 SER HN 45 SER HB- 4.50 (# 319:20 Unique 2.38, 3.07 A)
&rst
ixpk= 319, nxpk= 20, iat= 711, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 715, 716,
&end
#
# 45 SER HN 45 SER HB+ 4.50 (# 320:20 Unique 2.38, 3.07 A)
&rst
ixpk= 320, nxpk= 20, iat= 711, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 715, 716,
&end
#
# 0 AMB 20-2:321 49 PRO HA 6.00 (# 321:20 Single Ambig)
&rst
ixpk= 321, nxpk= 20, iat= -1, 775, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 787, 795, 789, 793,
&end
#
# 50 PHE HN 49 PRO HA 2.80 (# 322:20 Unique 2.19, 2.43 A)
&rst
ixpk= 322, nxpk= 20, iat= 779, 775, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 55 ILE HN 55 ILE HA 6.00 (# 323:20 Unique 2.85, 2.92 A)
&rst
ixpk= 323, nxpk= 20, iat= 855, 857, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 45 SER HN 45 SER HA 3.50 (# 324:20 Unique 2.83, 2.85 A)
&rst
ixpk= 324, nxpk= 20, iat= 711, 713, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 68 TYR HN 68 TYR HA 4.50 (# 325:20 Unique 2.81, 2.84 A)
&rst
ixpk= 325, nxpk= 20, iat=1079,1081, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 70 SER HN 0 AMB 20-1:326 6.00 (# 326:20 Single Ambig)
&rst
ixpk= 326, nxpk= 20, iat=1111, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2=1115,1116,1081,
&end
#
# 68 TYR HD 68 TYR HA 4.50 (# 327:20 Unique 2.45, 3.55 A)
&rst
ixpk= 327, nxpk= 20, iat= -1,1081, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1087,1096,
&end
#
# 0 AMB 20-2:328 53 VAL HA 2.80 (# 328:20 Single Ambig)
&rst
ixpk= 328, nxpk= 20, iat= -1, 827, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 841, 825,
&end
#
# 17 SER HN 17 SER HA 4.50 (# 329:20 Unique 2.86, 2.90 A)
&rst
ixpk= 329, nxpk= 20, iat= 256, 258, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 109 SER HN 109 SER HA 4.50 (# 330:20 Unique 2.20, 2.29 A)
&rst
ixpk= 330, nxpk= 20, iat=1704,1706, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 45 SER HN 44 LYS HA 6.00 (# 331:20 Unique 3.56, 3.58 A)
&rst
ixpk= 331, nxpk= 20, iat= 711, 691, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 44 LYS HN 44 LYS HA 4.50 (# 332:20 Unique 2.79, 2.80 A)
&rst
ixpk= 332, nxpk= 20, iat= 689, 691, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 50 PHE HE 44 LYS HA 4.50 (# 333:20 Unique 3.78, 6.25 A)
&rst
ixpk= 333, nxpk= 20, iat= -1, 691, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 789, 793,
&end
#
# 104 GLU HN 104 GLU HA 3.50 (# 334:20 Unique 2.84, 2.85 A)
&rst
ixpk= 334, nxpk= 20, iat=1629,1631, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 105 LYS HN 104 GLU HA 6.00 (# 335:20 Unique 3.61, 3.63 A)
&rst
ixpk= 335, nxpk= 20, iat=1644,1631, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 94 TYR HD 94 TYR HA 4.50 (# 336:20 Unique 2.37, 3.51 A)
&rst
ixpk= 336, nxpk= 20, iat= -1,1471, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1477,1486,
&end
#
# 0 AMB 20-2:337 0 AMB 20-1:337 4.50 (# 337:20 Double Ambig)
&rst
ixpk= 337, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.47, r4= 8.22,
igr1=1174, 505, 571,
igr2=1162, 564, 565, 564, 565, 564, 565,
&end
#
# 0 AMB 20-2:338 84 PHE HA 4.50 (# 338:20 Single Ambig)
&rst
ixpk= 338, nxpk= 20, iat= -1,1340, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1346,1354,1608,1609,
&end
#
# 101 GLU HN 101 GLU HA 3.50 (# 339:20 Unique 2.80, 2.82 A)
&rst
ixpk= 339, nxpk= 20, iat=1581,1583, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:340 108 CYS HA 4.50 (# 340:20 Single Ambig)
&rst
ixpk= 340, nxpk= 20, iat= -1,1695, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1693,1704,
&end
#
# 96 SER HN 96 SER HA 4.50 (# 341:20 Unique 2.92, 2.94 A)
&rst
ixpk= 341, nxpk= 20, iat=1512,1514, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:342 0 AMB 20-1:342 6.00 (# 342:20 Double Ambig)
&rst
ixpk= 342, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1523,1130,
igr2=1514,1162,
&end
#
# 0 AMB 20-2:343 0 AMB 20-1:343 2.80 (# 343:20 Double Ambig)
&rst
ixpk= 343, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1=1644,1011,1012,
igr2=1646, 924,1583,
&end
#
# 13 LYS HN 13 LYS HA 4.50 (# 344:20 Unique 2.83, 2.85 A)
&rst
ixpk= 344, nxpk= 20, iat= 188, 190, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 41 GLN HN 41 GLN HA 3.50 (# 345:20 Unique 2.85, 2.88 A)
&rst
ixpk= 345, nxpk= 20, iat= 634, 636, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 95 LYS HN 95 LYS HA 3.50 (# 346:20 Unique 2.87, 2.90 A)
&rst
ixpk= 346, nxpk= 20, iat=1490,1492, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 66 LYS HN 66 LYS HA 6.00 (# 347:20 Unique 2.27, 2.84 A)
&rst
ixpk= 347, nxpk= 20, iat=1042,1044, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 98 GLU HN 98 GLU HA 4.50 (# 348:20 Unique 2.89, 2.91 A)
&rst
ixpk= 348, nxpk= 20, iat=1530,1532, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 102 GLN HN 102 GLN HA 2.80 (# 349:20 Unique 2.84, 2.87 A)
&rst
ixpk= 349, nxpk= 20, iat=1596,1598, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 42 ILE HN 41 GLN HA 6.00 (# 350:20 Unique 3.58, 3.59 A)
&rst
ixpk= 350, nxpk= 20, iat= 651, 636, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 70 SER HN 70 SER HA 3.50 (# 351:20 Unique 2.23, 2.30 A)
&rst
ixpk= 351, nxpk= 20, iat=1111,1113, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 71 TRP HN 70 SER HA 4.50 (# 352:20 Unique 3.25, 3.44 A)
&rst
ixpk= 352, nxpk= 20, iat=1122,1113, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 67 GLU HN 67 GLU HA 4.50 (# 353:20 Unique 2.85, 2.91 A)
&rst
ixpk= 353, nxpk= 20, iat=1064,1066, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 63 GLN HN 60 LEU HA 4.50 (# 354:20 Unique 3.39, 3.76 A)
&rst
ixpk= 354, nxpk= 20, iat= 999, 939, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 68 TYR HN 65 LEU HA 6.00 (# 355:20 Unique 2.87, 3.22 A)
&rst
ixpk= 355, nxpk= 20, iat=1079,1025, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 65 LEU HN 65 LEU HA 6.00 (# 356:20 Unique 2.79, 2.86 A)
&rst
ixpk= 356, nxpk= 20, iat=1023,1025, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 63 GLN HN 63 GLN HA 4.50 (# 357:20 Unique 2.89, 2.98 A)
&rst
ixpk= 357, nxpk= 20, iat= 999,1001, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 12 ASP HN 12 ASP HA 4.50 (# 358:20 Unique 2.79, 2.82 A)
&rst
ixpk= 358, nxpk= 20, iat= 176, 178, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 69 SER HN 69 SER HA 4.50 (# 359:20 Unique 2.92, 2.95 A)
&rst
ixpk= 359, nxpk= 20, iat=1100,1102, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 7 LEU HN 7 LEU HA 4.50 (# 360:20 Unique 2.85, 2.88 A)
&rst
ixpk= 360, nxpk= 20, iat= 88, 90, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 26 GLY HN 25 LYS HA 4.50 (# 361:20 Unique 2.83, 3.31 A)
&rst
ixpk= 361, nxpk= 20, iat= 416, 396, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 7 LEU HG 11 LEU HG 6.00 (# 362:20 Unique 2.86, 4.32 A)
&rst
ixpk= 362, nxpk= 20, iat= 95, 164, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 72 PRO HD- 72 PRO HG- 6.00 (# 363:20 Unique 2.32, 2.61 A)
&rst
ixpk= 363, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1147,1148,
igr2=1150,1151,
&end
#
# 99 LEU HB+ 99 LEU HG 4.50 (# 364:20 Unique 2.30, 2.73 A)
&rst
ixpk= 364, nxpk= 20, iat= -1,1552, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1549,1550,
&end
#
# 0 AMB 20-2:365 99 LEU HG 3.50 (# 365:20 Single Ambig)
&rst
ixpk= 365, nxpk= 20, iat= -1,1552, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1554,1555,1556,1558,1559,1560,1619,1620,1621,1623,
1624,1625,
&end
#
# 99 LEU MDY 99 LEU HG 4.50 (# 366:20 Unique 2.36, 2.65 A)
&rst
ixpk= 366, nxpk= 20, iat= -1,1552, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1554,1555,1556,1558,1559,1560,
&end
#
# 46 LEU MDY 46 LEU HG 4.50 (# 367:20 Unique 2.37, 2.66 A)
&rst
ixpk= 367, nxpk= 20, iat= -1, 729, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 731, 732, 733, 735, 736, 737,
&end
#
# 72 PRO HD+ 72 PRO HG+ 4.50 (# 368:20 Unique 2.32, 2.61 A)
&rst
ixpk= 368, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1147,1148,
igr2=1150,1151,
&end
#
# 73 THR MG2 72 PRO HG+ 4.50 (# 370:20 Unique 2.49, 5.33 A)
&rst
ixpk= 370, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1166,1167,1168,
igr2=1150,1151,
&end
#
# 72 PRO HD- 72 PRO HG+ 4.50 (# 371:20 Unique 2.32, 2.61 A)
&rst
ixpk= 371, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1147,1148,
igr2=1150,1151,
&end
#
# 72 PRO HB- 72 PRO HG+ 4.50 (# 372:20 Unique 2.38, 2.64 A)
&rst
ixpk= 372, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1153,1154,
igr2=1150,1151,
&end
#
# 11 LEU MDY 11 LEU HG 4.50 (# 374:20 Unique 2.39, 2.66 A)
&rst
ixpk= 374, nxpk= 20, iat= -1, 164, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 166, 167, 168, 170, 171, 172,
&end
#
# 0 AMB 20-2:375 11 LEU HG 4.50 (# 375:20 Single Ambig)
&rst
ixpk= 375, nxpk= 20, iat= -1, 164, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 166, 167, 168, 170, 171, 172,1032,1033,1034,1036,
1037,1038,1032,1033,1034,1036,1037,1038,
&end
#
# 72 PRO HB+ 72 PRO HG- 6.00 (# 376:20 Unique 2.38, 2.64 A)
&rst
ixpk= 376, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1153,1154,
igr2=1150,1151,
&end
#
# 73 THR MG2 72 PRO HG- 4.50 (# 378:20 Unique 2.49, 5.33 A)
&rst
ixpk= 378, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1166,1167,1168,
igr2=1150,1151,
&end
#
# 0 AMB 20-2:379 99 LEU HG 6.00 (# 379:20 Single Ambig)
&rst
ixpk= 379, nxpk= 20, iat= -1,1552, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1547,1566,
&end
#
# 0 AMB 20-2:380 46 LEU HG 3.50 (# 380:20 Single Ambig)
&rst
ixpk= 380, nxpk= 20, iat= -1, 729, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 731, 732, 733, 735, 736, 737,1619,1620,1621,1623,
1624,1625,
&end
#
# 44 LYS HA 44 LYS HG+ 4.50 (# 381:20 Unique 2.37, 2.93 A)
&rst
ixpk= 381, nxpk= 20, iat= 691, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 696, 697,
&end
#
# 0 AMB 20-2:382 0 AMB 20-1:382 2.80 (# 382:20 Double Ambig)
&rst
ixpk= 382, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 699, 700, 699, 700,
igr2= 696, 697, 696, 697,
&end
#
# 44 LYS HA 44 LYS HG- 3.50 (# 384:20 Unique 2.37, 2.93 A)
&rst
ixpk= 384, nxpk= 20, iat= 691, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 696, 697,
&end
#
# 7 LEU HA 7 LEU HG 4.50 (# 385:20 Unique 2.49, 3.34 A)
&rst
ixpk= 385, nxpk= 20, iat= 90, 95, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:386 7 LEU HG 6.00 (# 386:20 Single Ambig)
&rst
ixpk= 386, nxpk= 20, iat= -1, 95, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1=1018,1019, 958,
&end
#
# 64 GLY HA- 7 LEU HG 6.00 (# 387:20 Unique 2.12, 5.23 A)
&rst
ixpk= 387, nxpk= 20, iat= -1, 95, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1018,1019,
&end
#
# 0 AMB 20-2:388 7 LEU HG 2.80 (# 388:20 Single Ambig)
&rst
ixpk= 388, nxpk= 20, iat= -1, 95, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 92, 93, 35, 36,
&end
#
# 0 AMB 20-2:389 7 LEU HG 2.80 (# 389:20 Single Ambig)
&rst
ixpk= 389, nxpk= 20, iat= -1, 95, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 92, 93, 35, 36,
&end
#
# 0 AMB 20-2:390 46 LEU MDX 2.80 (# 390:20 Single Ambig)
&rst
ixpk= 390, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1568,1569, 729,
igr2= 731, 732, 733, 735, 736, 737,
&end
#
# 8 LYS HE+ 8 LYS HG+ 4.50 (# 391:20 Unique 2.43, 3.13 A)
&rst
ixpk= 391, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 120, 121,
igr2= 114, 115,
&end
#
# 8 LYS HD+ 8 LYS HG+ 2.80 (# 392:20 Unique 2.36, 2.66 A)
&rst
ixpk= 392, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 117, 118,
igr2= 114, 115,
&end
#
# 8 LYS HD+ 8 LYS HG+ 2.80 (# 393:20 Unique 2.36, 2.66 A)
&rst
ixpk= 393, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 117, 118,
igr2= 114, 115,
&end
#
# 8 LYS HA 8 LYS HG+ 6.00 (# 394:20 Unique 2.39, 2.76 A)
&rst
ixpk= 394, nxpk= 20, iat= 109, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 114, 115,
&end
#
# 8 LYS HE+ 8 LYS HG+ 4.50 (# 395:20 Unique 2.43, 3.13 A)
&rst
ixpk= 395, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 120, 121,
igr2= 114, 115,
&end
#
# 43 LEU MDX 43 LEU HG 3.50 (# 396:20 Unique 2.36, 2.66 A)
&rst
ixpk= 396, nxpk= 20, iat= -1, 677, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 679, 680, 681, 683, 684, 685,
&end
#
# 43 LEU MDY 43 LEU HG 4.50 (# 397:20 Unique 2.36, 2.66 A)
&rst
ixpk= 397, nxpk= 20, iat= -1, 677, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 679, 680, 681, 683, 684, 685,
&end
#
# 25 LYS HE- 56 LEU HG 6.00 (# 398:20 Unique 3.04, 5.54 A)
&rst
ixpk= 398, nxpk= 20, iat= -1, 881, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 407, 408,
&end
#
# 60 LEU HB+ 60 LEU MDY 8.00 (# 399:20 Unique 2.37, 3.34 A)
&rst
ixpk= 399, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=12.10, r4=12.85,
igr1= 941, 942,
igr2= 946, 947, 948, 950, 951, 952,
&end
#
# 0 AMB 20-2:400 60 LEU MDY 8.00 (# 400:20 Single Ambig)
&rst
ixpk= 400, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=12.95, r4=13.70,
igr1= 35, 36, 944,
igr2= 946, 947, 948, 950, 951, 952,
&end
#
# 46 LEU HB- 46 LEU MDX 4.50 (# 402:20 Unique 2.34, 3.33 A)
&rst
ixpk= 402, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 726, 727,
igr2= 731, 732, 733, 735, 736, 737,
&end
#
# 0 AMB 20-2:403 46 LEU MDX 4.50 (# 403:20 Single Ambig)
&rst
ixpk= 403, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1552,1549,1550, 759, 760, 761,
igr2= 731, 732, 733, 735, 736, 737,
&end
#
# 0 AMB 20-2:404 46 LEU MDX 4.50 (# 404:20 Single Ambig)
&rst
ixpk= 404, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1566, 672,
igr2= 731, 732, 733, 735, 736, 737,
&end
#
# 46 LEU HB+ 46 LEU MDX 4.50 (# 405:20 Unique 2.34, 3.33 A)
&rst
ixpk= 405, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 726, 727,
igr2= 731, 732, 733, 735, 736, 737,
&end
#
# 43 LEU MDY 46 LEU MDX 4.50 (# 407:20 Unique 2.58, 7.65 A)
&rst
ixpk= 407, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 679, 680, 681, 683, 684, 685,
igr2= 731, 732, 733, 735, 736, 737,
&end
#
# 42 ILE QG2 46 LEU MDX 4.50 (# 408:20 Unique 2.89, 5.98 A)
&rst
ixpk= 408, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 657, 658, 659,
igr2= 731, 732, 733, 735, 736, 737,
&end
#
# 0 AMB 20-2:409 0 AMB 20-1:409 4.50 (# 409:20 Double Ambig)
&rst
ixpk= 409, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1=1027,1028,1027,1028,
igr2=1032,1033,1034,1036,1037,1038, 166, 167, 168, 170,
171, 172,
&end
#
# 0 AMB 20-2:411 0 AMB 20-1:411 8.00 (# 411:20 Double Ambig)
&rst
ixpk= 411, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=17.91, r4=18.66,
igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
1037,1038, 166, 167, 168, 170, 171, 172,
igr2= 946, 947, 948, 950, 951, 952, 881,
&end
#
# 2 ALA HA 60 LEU MDY 8.00 (# 412:20 Unique 2.51, 6.70 A)
&rst
ixpk= 412, nxpk= 20, iat= 23, -1, r1= 0.00, r2= 1.80, r3=10.78, r4=11.53,
igr2= 946, 947, 948, 950, 951, 952,
&end
#
# 0 AMB 20-2:413 0 AMB 20-1:413 6.00 (# 413:20 Double Ambig)
&rst
ixpk= 413, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.19, r4=11.94,
igr1= 985, 986, 985, 986,1003,1004,
igr2= 881, 946, 947, 948, 950, 951, 952,
&end
#
# 62 ARG HG- 56 LEU HG 6.00 (# 414:20 Unique 3.46, 6.03 A)
&rst
ixpk= 414, nxpk= 20, iat= -1, 881, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 982, 983,
&end
#
# 0 AMB 20-2:415 56 LEU HG 2.80 (# 415:20 Single Ambig)
&rst
ixpk= 415, nxpk= 20, iat= -1, 881, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 878, 879, 398, 399,
&end
#
# 0 AMB 20-2:416 0 AMB 20-1:416 2.80 (# 416:20 Double Ambig)
&rst
ixpk= 416, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.88, r4= 5.63,
igr1= 878, 879, 35, 36,
igr2= 881, 946, 947, 948, 950, 951, 952,
&end
#
# 0 AMB 20-2:417 0 AMB 20-1:417 4.50 (# 417:20 Double Ambig)
&rst
ixpk= 417, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1025, 857,
igr2=1032,1033,1034,1036,1037,1038, 166, 167, 168, 170,
171, 172,
&end
#
# 0 AMB 20-2:418 0 AMB 20-1:418 3.50 (# 418:20 Double Ambig)
&rst
ixpk= 418, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.49, r4= 8.24,
igr1= 361, 362,1083,1084,1083,1084,1083,1084,
igr2=1032,1033,1034,1036,1037,1038, 166, 167, 168, 170,
171, 172,
&end
#
# 0 AMB 20-2:419 0 AMB 20-1:419 3.50 (# 419:20 Double Ambig)
&rst
ixpk= 419, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 859,1027,1028,
igr2=1032,1033,1034,1036,1037,1038, 166, 167, 168, 170,
171, 172,
&end
#
# 65 LEU HG 65 LEU MDY 2.80 (# 420:20 Unique 2.32, 2.66 A)
&rst
ixpk= 420, nxpk= 20, iat=1030, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1032,1033,1034,1036,1037,1038,
&end
#
# 61 LEU MDX 0 AMB 20-1:421 3.50 (# 421:20 Single Ambig)
&rst
ixpk= 421, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 965, 966, 967, 969, 970, 971,
igr2=1032,1033,1034,1036,1037,1038, 166, 167, 168, 170,
171, 172,
&end
#
# 0 AMB 20-2:422 11 LEU MDX 4.50 (# 422:20 Single Ambig)
&rst
ixpk= 422, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 159, 109,
igr2= 166, 167, 168, 170, 171, 172,
&end
#
# 11 LEU HG 0 AMB 20-1:423 2.80 (# 423:20 Single Ambig)
&rst
ixpk= 423, nxpk= 20, iat= 164, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr2= 166, 167, 168, 170, 171, 172,1032,1033,1034,1036,
1037,1038,
&end
#
# 0 AMB 20-2:424 11 LEU MDX 3.50 (# 424:20 Single Ambig)
&rst
ixpk= 424, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.23, r4= 7.98,
igr1= 95, 40, 41, 42, 44, 45, 46, 40, 41, 42,
44, 45, 46,
igr2= 166, 167, 168, 170, 171, 172,
&end
#
# 43 LEU HG 43 LEU MDX 3.50 (# 426:20 Unique 2.36, 2.66 A)
&rst
ixpk= 426, nxpk= 20, iat= 677, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 679, 680, 681, 683, 684, 685,
&end
#
# 0 AMB 20-2:427 43 LEU MDX 3.50 (# 427:20 Single Ambig)
&rst
ixpk= 427, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1= 674, 675, 608, 609, 610, 612, 613, 614,
igr2= 679, 680, 681, 683, 684, 685,
&end
#
# 0 AMB 20-2:428 43 LEU MDX 2.80 (# 428:20 Single Ambig)
&rst
ixpk= 428, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
igr1= 312, 313, 314, 316, 317, 318, 608, 609, 610, 612,
613, 614,
igr2= 679, 680, 681, 683, 684, 685,
&end
#
# 0 AMB 20-2:429 43 LEU MDX 2.80 (# 429:20 Single Ambig)
&rst
ixpk= 429, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 312, 313, 314, 316, 317, 318,1619,1620,1621,1623,
1624,1625,1232, 731, 732, 733, 735, 736, 737,
igr2= 679, 680, 681, 683, 684, 685,
&end
#
# 95 LYS HA 95 LYS HG- 6.00 (# 433:20 Unique 2.43, 2.75 A)
&rst
ixpk= 433, nxpk= 20, iat=1492, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1497,1498,
&end
#
# 95 LYS HB- 95 LYS HG- 2.80 (# 434:20 Unique 2.38, 2.77 A)
&rst
ixpk= 434, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1494,1495,
igr2=1497,1498,
&end
#
# 95 LYS HB- 95 LYS HG+ 2.80 (# 436:20 Unique 2.38, 2.77 A)
&rst
ixpk= 436, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1494,1495,
igr2=1497,1498,
&end
#
# 95 LYS HA 95 LYS HG+ 4.50 (# 437:20 Unique 2.43, 2.75 A)
&rst
ixpk= 437, nxpk= 20, iat=1492, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1497,1498,
&end
#
# 0 AMB 20-2:441 0 AMB 20-1:441 4.50 (# 441:20 Double Ambig)
&rst
ixpk= 441, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1503,1504,1503,1504,
igr2=1497,1498,1497,1498,
&end
#
# 0 AMB 20-2:442 40 VAL MGX 4.50 (# 442:20 Single Ambig)
&rst
ixpk= 442, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 573, 439,
igr2= 624, 625, 626, 628, 629, 630,
&end
#
# 40 VAL HA 40 VAL MGX 3.50 (# 443:20 Unique 2.39, 3.36 A)
&rst
ixpk= 443, nxpk= 20, iat= 620, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 624, 625, 626, 628, 629, 630,
&end
#
# 0 AMB 20-2:444 40 VAL MGX 2.80 (# 444:20 Single Ambig)
&rst
ixpk= 444, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 622, 638, 639,
igr2= 624, 625, 626, 628, 629, 630,
&end
#
# 0 AMB 20-2:445 40 VAL MGX 4.50 (# 445:20 Single Ambig)
&rst
ixpk= 445, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 498, 499, 495, 496, 342, 343,
igr2= 624, 625, 626, 628, 629, 630,
&end
#
# 0 AMB 20-2:446 40 VAL MGX 4.50 (# 446:20 Single Ambig)
&rst
ixpk= 446, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.39, r4= 9.14,
igr1= 388, 389, 390, 699, 700, 699, 700,
igr2= 624, 625, 626, 628, 629, 630,
&end
#
# 0 AMB 20-2:447 40 VAL MGX 6.00 (# 447:20 Single Ambig)
&rst
ixpk= 447, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.90, r4=11.65,
igr1= 444, 445, 447, 448, 447, 448,
igr2= 624, 625, 626, 628, 629, 630,
&end
#
# 0 AMB 20-2:448 40 VAL MGX 2.80 (# 448:20 Single Ambig)
&rst
ixpk= 448, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.44, r4= 6.19,
igr1= 345, 608, 609, 610, 612, 613, 614, 342, 343,
igr2= 624, 625, 626, 628, 629, 630,
&end
#
# 0 AMB 20-2:449 0 AMB 20-1:449 4.50 (# 449:20 Double Ambig)
&rst
ixpk= 449, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1646,1598,
igr2=1651,1652,1651,1652,
&end
#
# 105 LYS HE+ 105 LYS HG+ 6.00 (# 450:20 Unique 2.39, 2.99 A)
&rst
ixpk= 450, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1657,1658,
igr2=1651,1652,
&end
#
# 0 AMB 20-2:451 0 AMB 20-1:451 2.80 (# 451:20 Double Ambig)
&rst
ixpk= 451, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1648,1649,1648,1649,
igr2=1651,1652,1651,1652,
&end
#
# 0 AMB 20-2:452 0 AMB 20-1:452 6.00 (# 452:20 Double Ambig)
&rst
ixpk= 452, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=12.93, r4=13.68,
igr1= 201, 202, 201, 202,1657,1658,1055,1056,1055,1056,
igr2= 195, 196, 195, 196,1651,1652,1049,1050,1049,1050,
&end
#
# 0 AMB 20-2:453 0 AMB 20-1:453 3.50 (# 453:20 Double Ambig)
&rst
ixpk= 453, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 192, 193, 192, 193,
igr2= 195, 196, 195, 196,
&end
#
# 19 LYS HA 19 LYS HG- 4.50 (# 454:20 Unique 2.26, 3.18 A)
&rst
ixpk= 454, nxpk= 20, iat= 286, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 291, 292,
&end
#
# 0 AMB 20-2:455 105 LYS HG- 4.50 (# 455:20 Single Ambig)
&rst
ixpk= 455, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1646,1598,
igr2=1651,1652,
&end
#
# 0 AMB 20-2:456 0 AMB 20-1:456 6.00 (# 456:20 Double Ambig)
&rst
ixpk= 456, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.69, r4=11.44,
igr1= 201, 202, 201, 202,1055,1056,1055,1056,
igr2= 195, 196,1049,1050,
&end
#
# 13 LYS HA 13 LYS HG- 6.00 (# 457:20 Unique 2.32, 3.01 A)
&rst
ixpk= 457, nxpk= 20, iat= 190, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 195, 196,
&end
#
# 0 AMB 20-2:458 0 AMB 20-1:458 3.50 (# 458:20 Double Ambig)
&rst
ixpk= 458, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 192, 193, 192, 193,1153,1154,
igr2= 195, 196,1049,1050,
&end
#
# 0 AMB 20-2:459 40 VAL MGX 4.50 (# 459:20 Single Ambig)
&rst
ixpk= 459, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 495, 496, 638, 639,
igr2= 624, 625, 626, 628, 629, 630,
&end
#
# 0 AMB 20-2:460 0 AMB 20-1:460 4.50 (# 460:20 Double Ambig)
&rst
ixpk= 460, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.81, r4=11.56,
igr1= 783, 784,1201,1202,1071,1072,1071,1072,
igr2= 347, 348, 349, 351, 352, 353, 347, 348, 349, 351,
352, 353, 40, 41, 42, 44, 45, 46, 40, 41,
42, 44, 45, 46,
&end
#
# 22 LEU HA 0 AMB 20-1:461 2.80 (# 461:20 Single Ambig)
&rst
ixpk= 461, nxpk= 20, iat= 340, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr2= 347, 348, 349, 351, 352, 353, 347, 348, 349, 351,
352, 353,
&end
#
# 0 AMB 20-2:462 0 AMB 20-1:462 2.80 (# 462:20 Double Ambig)
&rst
ixpk= 462, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.13, r4= 6.88,
igr1= 404, 405, 56, 57, 58,
igr2= 401, 402, 401, 402, 946, 947, 948, 950, 951, 952,
40, 41, 42, 44, 45, 46, 40, 41, 42, 44,
45, 46,
&end
#
# 0 AMB 20-2:463 0 AMB 20-1:463 3.50 (# 463:20 Double Ambig)
&rst
ixpk= 463, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.24, r4= 6.99,
igr1= 33, 396,
igr2= 40, 41, 42, 44, 45, 46, 40, 41, 42, 44,
45, 46, 401, 402, 401, 402,
&end
#
# 8 LYS HA 0 AMB 20-1:464 6.00 (# 464:20 Single Ambig)
&rst
ixpk= 464, nxpk= 20, iat= 109, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr2= 40, 41, 42, 44, 45, 46, 40, 41, 42, 44,
45, 46,
&end
#
# 0 AMB 20-2:465 0 AMB 20-1:465 4.50 (# 465:20 Double Ambig)
&rst
ixpk= 465, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.10, r4=10.85,
igr1= 407, 408,1083,1084,1083,1084,1083,1084,
igr2= 401, 402, 401, 402, 40, 41, 42, 44, 45, 46,
40, 41, 42, 44, 45, 46,
&end
#
# 0 AMB 20-2:466 0 AMB 20-1:466 2.80 (# 466:20 Double Ambig)
&rst
ixpk= 466, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.54, r4= 7.29,
igr1= 92, 93, 35, 36, 35, 36, 35, 36, 944,
igr2= 40, 41, 42, 44, 45, 46, 40, 41, 42, 44,
45, 46, 946, 947, 948, 950, 951, 952,
&end
#
# 0 AMB 20-2:467 0 AMB 20-1:467 4.50 (# 467:20 Double Ambig)
&rst
ixpk= 467, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.02, r4=11.77,
igr1= 166, 167, 168, 170, 171, 172,1032,1033,1034,1036,
1037,1038,1032,1033,1034,1036,1037,1038,
igr2= 40, 41, 42, 44, 45, 46, 40, 41, 42, 44,
45, 46,
&end
#
# 61 LEU HA 61 LEU MDY 3.50 (# 468:20 Unique 2.16, 3.81 A)
&rst
ixpk= 468, nxpk= 20, iat= 958, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 965, 966, 967, 969, 970, 971,
&end
#
# 0 AMB 20-2:469 61 LEU MDY 2.80 (# 469:20 Single Ambig)
&rst
ixpk= 469, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 960, 961, 960, 961,
igr2= 965, 966, 967, 969, 970, 971,
&end
#
# 65 LEU HG 61 LEU MDY 6.00 (# 470:20 Unique 2.31, 6.02 A)
&rst
ixpk= 470, nxpk= 20, iat=1030, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 965, 966, 967, 969, 970, 971,
&end
#
# 11 LEU MDY 61 LEU MDY 8.00 (# 471:20 Unique 2.49, 5.72 A)
&rst
ixpk= 471, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=14.54, r4=15.29,
igr1= 166, 167, 168, 170, 171, 172,
igr2= 965, 966, 967, 969, 970, 971,
&end
#
# 0 AMB 20-2:472 61 LEU MDY 4.50 (# 472:20 Single Ambig)
&rst
ixpk= 472, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.82, r4=10.57,
igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
1037,1038, 166, 167, 168, 170, 171, 172,
igr2= 965, 966, 967, 969, 970, 971,
&end
#
# 0 AMB 20-2:474 0 AMB 20-1:474 4.50 (# 474:20 Double Ambig)
&rst
ixpk= 474, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.02, r4= 8.77,
igr1= 509, 510, 608, 609, 610, 612, 613, 614,
igr2=1198,1199,1198,1199,
&end
#
# 0 AMB 20-2:477 0 AMB 20-1:477 4.50 (# 477:20 Double Ambig)
&rst
ixpk= 477, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 297, 298, 297, 298,
igr2= 291, 292, 291, 292,
&end
#
# 19 LYS HA 19 LYS HG+ 6.00 (# 478:20 Unique 2.26, 3.18 A)
&rst
ixpk= 478, nxpk= 20, iat= 286, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 291, 292,
&end
#
# 0 AMB 20-2:479 0 AMB 20-1:479 4.50 (# 479:20 Double Ambig)
&rst
ixpk= 479, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 288, 289, 769, 770,
igr2= 291, 292, 291, 292,
&end
#
# 19 LYS HD+ 19 LYS HG+ 2.80 (# 480:20 Unique 2.34, 2.73 A)
&rst
ixpk= 480, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 294, 295,
igr2= 291, 292,
&end
#
# 0 AMB 20-2:482 19 LYS HG- 4.50 (# 482:20 Single Ambig)
&rst
ixpk= 482, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 288, 289, 769, 770,
igr2= 291, 292,
&end
#
# 0 AMB 20-2:483 19 LYS HG- 4.50 (# 483:20 Single Ambig)
&rst
ixpk= 483, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 297, 298, 297, 298,
igr2= 291, 292,
&end
#
# 60 LEU HA 60 LEU MDX 4.50 (# 484:20 Unique 2.20, 3.94 A)
&rst
ixpk= 484, nxpk= 20, iat= 939, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 946, 947, 948, 950, 951, 952,
&end
#
# 55 ILE HA 61 LEU MDX 4.50 (# 485:20 Unique 2.28, 4.50 A)
&rst
ixpk= 485, nxpk= 20, iat= 857, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 965, 966, 967, 969, 970, 971,
&end
#
# 61 LEU HA 61 LEU MDX 3.50 (# 486:20 Unique 2.16, 3.81 A)
&rst
ixpk= 486, nxpk= 20, iat= 958, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 965, 966, 967, 969, 970, 971,
&end
#
# 0 AMB 20-2:487 0 AMB 20-1:487 4.50 (# 487:20 Double Ambig)
&rst
ixpk= 487, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.42, r4=10.17,
igr1= 679, 680, 681, 683, 684, 685, 166, 167, 168, 170,
171, 172,
igr2=1232, 965, 966, 967, 969, 970, 971,
&end
#
# 77 LEU HA 77 LEU HG 3.50 (# 488:20 Unique 2.46, 2.87 A)
&rst
ixpk= 488, nxpk= 20, iat=1227,1232, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 77 LEU HB- 77 LEU HG 4.50 (# 489:20 Unique 2.36, 2.77 A)
&rst
ixpk= 489, nxpk= 20, iat= -1,1232, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1229,1230,
&end
#
# 77 LEU MDY 77 LEU HG 2.80 (# 490:20 Unique 2.36, 2.65 A)
&rst
ixpk= 490, nxpk= 20, iat= -1,1232, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1234,1235,1236,1238,1239,1240,
&end
#
# 77 LEU MDX 77 LEU HG 2.80 (# 491:20 Unique 2.36, 2.65 A)
&rst
ixpk= 491, nxpk= 20, iat= -1,1232, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1234,1235,1236,1238,1239,1240,
&end
#
# 43 LEU MDX 77 LEU HG 3.50 (# 492:20 Unique 2.35, 4.81 A)
&rst
ixpk= 492, nxpk= 20, iat= -1,1232, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 679, 680, 681, 683, 684, 685,
&end
#
# 61 LEU HG 61 LEU MDX 2.80 (# 493:20 Unique 2.38, 2.66 A)
&rst
ixpk= 493, nxpk= 20, iat= 963, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 965, 966, 967, 969, 970, 971,
&end
#
# 0 AMB 20-2:494 61 LEU MDX 4.50 (# 494:20 Single Ambig)
&rst
ixpk= 494, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.82, r4=10.57,
igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
1037,1038, 166, 167, 168, 170, 171, 172,
igr2= 965, 966, 967, 969, 970, 971,
&end
#
# 90 THR HB 39 VAL MGY 4.50 (# 495:20 Unique 2.29, 3.78 A)
&rst
ixpk= 495, nxpk= 20, iat=1418, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 608, 609, 610, 612, 613, 614,
&end
#
# 87 CYS HA 39 VAL MGY 3.50 (# 496:20 Unique 2.07, 3.81 A)
&rst
ixpk= 496, nxpk= 20, iat=1374, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 608, 609, 610, 612, 613, 614,
&end
#
# 39 VAL HA 39 VAL MGY 3.50 (# 497:20 Unique 2.29, 3.17 A)
&rst
ixpk= 497, nxpk= 20, iat= 604, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 608, 609, 610, 612, 613, 614,
&end
#
# 0 AMB 20-2:498 39 VAL MGY 2.80 (# 498:20 Single Ambig)
&rst
ixpk= 498, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1229,1230, 606,
igr2= 608, 609, 610, 612, 613, 614,
&end
#
# 75 PRO HG- 39 VAL MGY 6.00 (# 499:20 Unique 3.79, 8.08 A)
&rst
ixpk= 499, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1198,1199,
igr2= 608, 609, 610, 612, 613, 614,
&end
#
# 88 ASP HA 91 VAL MGY 4.50 (# 502:20 Unique 3.45, 4.64 A)
&rst
ixpk= 502, nxpk= 20, iat=1385, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1434,1435,1436,1438,1439,1440,
&end
#
# 0 AMB 20-2:503 91 VAL MGY 2.80 (# 503:20 Single Ambig)
&rst
ixpk= 503, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1430, 544, 545,
igr2=1434,1435,1436,1438,1439,1440,
&end
#
# 91 VAL HB 91 VAL MGY 2.80 (# 504:20 Unique 2.42, 2.67 A)
&rst
ixpk= 504, nxpk= 20, iat=1432, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1434,1435,1436,1438,1439,1440,
&end
#
# 42 ILE QD1 91 VAL MGY 2.80 (# 505:20 Unique 2.30, 4.40 A)
&rst
ixpk= 505, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 664, 665, 666,
igr2=1434,1435,1436,1438,1439,1440,
&end
#
# 0 AMB 20-2:506 56 LEU MDX 3.50 (# 506:20 Single Ambig)
&rst
ixpk= 506, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.53, r4= 7.28,
igr1= 859,1027,1028,1052,1053,1052,1053,
igr2= 883, 884, 885, 887, 888, 889,
&end
#
# 39 VAL HA 39 VAL MGX 3.50 (# 507:20 Unique 2.29, 3.17 A)
&rst
ixpk= 507, nxpk= 20, iat= 604, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 608, 609, 610, 612, 613, 614,
&end
#
# 0 AMB 20-2:508 0 AMB 20-1:508 2.80 (# 508:20 Double Ambig)
&rst
ixpk= 508, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=1229,1230, 878, 879, 606,
igr2= 608, 609, 610, 612, 613, 614, 883, 884, 885, 887,
888, 889,
&end
#
# 0 AMB 20-2:510 39 VAL MGX 4.50 (# 510:20 Single Ambig)
&rst
ixpk= 510, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.75, r4= 9.50,
igr1=1234,1235,1236,1238,1239,1240, 664, 665, 666,
igr2= 608, 609, 610, 612, 613, 614,
&end
#
# 43 LEU MDX 39 VAL MGX 4.50 (# 511:20 Unique 2.34, 6.14 A)
&rst
ixpk= 511, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 679, 680, 681, 683, 684, 685,
igr2= 608, 609, 610, 612, 613, 614,
&end
#
# 0 AMB 20-2:512 65 LEU MDX 3.50 (# 512:20 Single Ambig)
&rst
ixpk= 512, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1025, 857,
igr2=1032,1033,1034,1036,1037,1038,
&end
#
# 0 AMB 20-2:513 0 AMB 20-1:513 4.50 (# 513:20 Double Ambig)
&rst
ixpk= 513, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1027,1028, 729,
igr2=1032,1033,1034,1036,1037,1038,1554,1555,1556,1558,
1559,1560,
&end
#
# 65 LEU HG 65 LEU MDX 3.50 (# 514:20 Unique 2.32, 2.66 A)
&rst
ixpk= 514, nxpk= 20, iat=1030, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1032,1033,1034,1036,1037,1038,
&end
#
# 11 LEU MDY 65 LEU MDX 8.00 (# 515:20 Unique 2.30, 5.34 A)
&rst
ixpk= 515, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=14.54, r4=15.29,
igr1= 166, 167, 168, 170, 171, 172,
igr2=1032,1033,1034,1036,1037,1038,
&end
#
# 0 AMB 20-2:516 65 LEU MDX 4.50 (# 516:20 Single Ambig)
&rst
ixpk= 516, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 361, 362,1083,1084,1083,1084,
igr2=1032,1033,1034,1036,1037,1038,
&end
#
# 10 THR HB 0 AMB 20-1:518 4.50 (# 518:20 Single Ambig)
&rst
ixpk= 518, nxpk= 20, iat= 147, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr2= 97, 98, 99, 101, 102, 103, 97, 98, 99, 101,
102, 103,
&end
#
# 7 LEU HA 0 AMB 20-1:519 2.80 (# 519:20 Single Ambig)
&rst
ixpk= 519, nxpk= 20, iat= 90, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr2= 97, 98, 99, 101, 102, 103, 97, 98, 99, 101,
102, 103,
&end
#
# 0 AMB 20-2:520 0 AMB 20-1:520 8.00 (# 520:20 Double Ambig)
&rst
ixpk= 520, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=15.83, r4=16.58,
igr1= 958,1018,1019,1018,1019,
igr2= 97, 98, 99, 101, 102, 103, 97, 98, 99, 101,
102, 103,
&end
#
# 0 AMB 20-2:521 0 AMB 20-1:521 2.80 (# 521:20 Double Ambig)
&rst
ixpk= 521, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.41, r4= 7.16,
igr1= 960, 961, 960, 961, 960, 961, 941, 942, 92, 93,
92, 93,
igr2= 97, 98, 99, 101, 102, 103, 97, 98, 99, 101,
102, 103,
&end
#
# 11 LEU MDY 0 AMB 20-1:522 4.50 (# 522:20 Single Ambig)
&rst
ixpk= 522, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.18, r4= 9.93,
igr1= 166, 167, 168, 170, 171, 172,
igr2= 97, 98, 99, 101, 102, 103, 97, 98, 99, 101,
102, 103,
&end
#
# 0 AMB 20-2:523 0 AMB 20-1:523 6.00 (# 523:20 Double Ambig)
&rst
ixpk= 523, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=14.70, r4=15.45,
igr1= 166, 167, 168, 170, 171, 172,1032,1033,1034,1036,
1037,1038,1032,1033,1034,1036,1037,1038,
igr2= 97, 98, 99, 101, 102, 103, 97, 98, 99, 101,
102, 103,
&end
#
# 20 VAL HA 20 VAL MGY 2.80 (# 524:20 Unique 2.26, 3.32 A)
&rst
ixpk= 524, nxpk= 20, iat= 308, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 312, 313, 314, 316, 317, 318,
&end
#
# 0 AMB 20-2:525 20 VAL MGY 2.80 (# 525:20 Single Ambig)
&rst
ixpk= 525, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 783, 784, 310,
igr2= 312, 313, 314, 316, 317, 318,
&end
#
# 43 LEU MDX 20 VAL MGY 4.50 (# 526:20 Unique 2.15, 4.64 A)
&rst
ixpk= 526, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 679, 680, 681, 683, 684, 685,
igr2= 312, 313, 314, 316, 317, 318,
&end
#
# 50 PHE HB+ 20 VAL MGY 4.50 (# 527:20 Unique 2.27, 4.55 A)
&rst
ixpk= 527, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 783, 784,
igr2= 312, 313, 314, 316, 317, 318,
&end
#
# 48 ALA MB 20 VAL MGY 4.50 (# 528:20 Unique 2.30, 5.25 A)
&rst
ixpk= 528, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 759, 760, 761,
igr2= 312, 313, 314, 316, 317, 318,
&end
#
# 43 LEU MDY 20 VAL MGY 4.50 (# 529:20 Unique 2.15, 4.64 A)
&rst
ixpk= 529, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 679, 680, 681, 683, 684, 685,
igr2= 312, 313, 314, 316, 317, 318,
&end
#
# 0 AMB 20-2:530 46 LEU MDY 4.50 (# 530:20 Single Ambig)
&rst
ixpk= 530, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1552,1549,1550, 759, 760, 761,
igr2= 731, 732, 733, 735, 736, 737,
&end
#
# 42 ILE QG2 46 LEU MDY 6.00 (# 531:20 Unique 2.89, 5.98 A)
&rst
ixpk= 531, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.71, r4=10.46,
igr1= 657, 658, 659,
igr2= 731, 732, 733, 735, 736, 737,
&end
#
# 46 LEU HA 46 LEU MDY 2.80 (# 532:20 Unique 2.09, 3.86 A)
&rst
ixpk= 532, nxpk= 20, iat= 724, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 731, 732, 733, 735, 736, 737,
&end
#
# 0 AMB 20-2:533 46 LEU MDY 6.00 (# 533:20 Single Ambig)
&rst
ixpk= 533, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1566, 672,
igr2= 731, 732, 733, 735, 736, 737,
&end
#
# 100 GLN HG+ 46 LEU MDY 6.00 (# 534:20 Unique 2.23, 4.47 A)
&rst
ixpk= 534, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1571,1572,
igr2= 731, 732, 733, 735, 736, 737,
&end
#
# 100 GLN HG- 46 LEU MDY 4.50 (# 535:20 Unique 2.23, 4.47 A)
&rst
ixpk= 535, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1571,1572,
igr2= 731, 732, 733, 735, 736, 737,
&end
#
# 0 AMB 20-2:536 46 LEU MDY 2.80 (# 536:20 Single Ambig)
&rst
ixpk= 536, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1568,1569, 729,
igr2= 731, 732, 733, 735, 736, 737,
&end
#
# 46 LEU HB+ 46 LEU MDY 4.50 (# 537:20 Unique 2.34, 3.33 A)
&rst
ixpk= 537, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 726, 727,
igr2= 731, 732, 733, 735, 736, 737,
&end
#
# 46 LEU HB- 46 LEU MDY 4.50 (# 538:20 Unique 2.34, 3.33 A)
&rst
ixpk= 538, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 726, 727,
igr2= 731, 732, 733, 735, 736, 737,
&end
#
# 0 AMB 20-2:540 99 LEU MDY 4.50 (# 540:20 Single Ambig)
&rst
ixpk= 540, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1617,1600,1601,1600,1601,
igr2=1554,1555,1556,1558,1559,1560,
&end
#
# 90 THR MG2 99 LEU MDY 4.50 (# 541:20 Unique 2.25, 4.05 A)
&rst
ixpk= 541, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1420,1421,1422,
igr2=1554,1555,1556,1558,1559,1560,
&end
#
# 0 AMB 20-2:542 99 LEU MDY 2.80 (# 542:20 Single Ambig)
&rst
ixpk= 542, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1547, 672,
igr2=1554,1555,1556,1558,1559,1560,
&end
#
# 0 AMB 20-2:543 99 LEU MDY 3.50 (# 543:20 Single Ambig)
&rst
ixpk= 543, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1549,1550,1463,1464,1465,
igr2=1554,1555,1556,1558,1559,1560,
&end
#
# 0 AMB 20-2:544 99 LEU MDY 2.80 (# 544:20 Single Ambig)
&rst
ixpk= 544, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1552,1549,1550,
igr2=1554,1555,1556,1558,1559,1560,
&end
#
# 77 LEU MDX 99 LEU MDY 3.50 (# 546:20 Unique 2.35, 5.52 A)
&rst
ixpk= 546, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1234,1235,1236,1238,1239,1240,
igr2=1554,1555,1556,1558,1559,1560,
&end
#
# 21 VAL HA 21 VAL MGY 3.50 (# 547:20 Unique 2.41, 3.19 A)
&rst
ixpk= 547, nxpk= 20, iat= 324, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 328, 329, 330, 332, 333, 334,
&end
#
# 18 HIS HB- 21 VAL MGY 4.50 (# 548:20 Unique 2.42, 5.51 A)
&rst
ixpk= 548, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 271, 272,
igr2= 328, 329, 330, 332, 333, 334,
&end
#
# 11 LEU MDY 14 VAL MGX 6.00 (# 550:20 Unique 3.24, 6.85 A)
&rst
ixpk= 550, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.90, r4=11.65,
igr1= 166, 167, 168, 170, 171, 172,
igr2= 216, 217, 218, 220, 221, 222,
&end
#
# 18 HIS HB+ 21 VAL MGY 4.50 (# 551:20 Unique 2.42, 5.51 A)
&rst
ixpk= 551, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 271, 272,
igr2= 328, 329, 330, 332, 333, 334,
&end
#
# 21 VAL HB 21 VAL MGY 2.80 (# 552:20 Unique 2.41, 2.66 A)
&rst
ixpk= 552, nxpk= 20, iat= 326, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 328, 329, 330, 332, 333, 334,
&end
#
# 0 AMB 20-2:553 103 VAL MGY 4.50 (# 553:20 Single Ambig)
&rst
ixpk= 553, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 672,1547,1566,
igr2=1619,1620,1621,1623,1624,1625,
&end
#
# 103 VAL HA 103 VAL MGY 2.80 (# 554:20 Unique 2.41, 3.15 A)
&rst
ixpk= 554, nxpk= 20, iat=1615, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1619,1620,1621,1623,1624,1625,
&end
#
# 0 AMB 20-2:555 103 VAL MGY 2.80 (# 555:20 Single Ambig)
&rst
ixpk= 555, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=1617,1600,1601,1600,1601,
igr2=1619,1620,1621,1623,1624,1625,
&end
#
# 0 AMB 20-2:556 103 VAL MGY 2.80 (# 556:20 Single Ambig)
&rst
ixpk= 556, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 759, 760, 761,1552,
igr2=1619,1620,1621,1623,1624,1625,
&end
#
# 99 LEU MDY 103 VAL MGY 2.80 (# 557:20 Unique 2.21, 5.69 A)
&rst
ixpk= 557, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1554,1555,1556,1558,1559,1560,
igr2=1619,1620,1621,1623,1624,1625,
&end
#
# 79 ILE QD1 103 VAL MGY 3.50 (# 558:20 Unique 2.36, 5.30 A)
&rst
ixpk= 558, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1278,1279,1280,
igr2=1619,1620,1621,1623,1624,1625,
&end
#
# 0 AMB 20-2:559 11 LEU MDY 2.80 (# 559:20 Single Ambig)
&rst
ixpk= 559, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 159, 109,
igr2= 166, 167, 168, 170, 171, 172,
&end
#
# 11 LEU HG 11 LEU MDY 2.80 (# 560:20 Unique 2.39, 2.66 A)
&rst
ixpk= 560, nxpk= 20, iat= 164, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 166, 167, 168, 170, 171, 172,
&end
#
# 61 LEU MDY 11 LEU MDY 6.00 (# 561:20 Unique 2.49, 5.72 A)
&rst
ixpk= 561, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.90, r4=11.65,
igr1= 965, 966, 967, 969, 970, 971,
igr2= 166, 167, 168, 170, 171, 172,
&end
#
# 14 VAL HB 14 VAL MGX 2.80 (# 563:20 Unique 2.40, 2.65 A)
&rst
ixpk= 563, nxpk= 20, iat= 214, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 216, 217, 218, 220, 221, 222,
&end
#
# 14 VAL HA 14 VAL MGX 3.50 (# 564:20 Unique 2.35, 3.30 A)
&rst
ixpk= 564, nxpk= 20, iat= 212, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 216, 217, 218, 220, 221, 222,
&end
#
# 0 AMB 20-2:565 0 AMB 20-1:565 4.50 (# 565:20 Double Ambig)
&rst
ixpk= 565, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.75, r4= 9.50,
igr1= 806, 807, 661, 662, 195, 196,
igr2= 216, 217, 218, 220, 221, 222, 594, 595, 596,
&end
#
# 11 LEU HB+ 11 LEU MDY 3.50 (# 566:20 Unique 2.36, 3.37 A)
&rst
ixpk= 566, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 161, 162,
igr2= 166, 167, 168, 170, 171, 172,
&end
#
# 0 AMB 20-2:567 11 LEU MDY 3.50 (# 567:20 Single Ambig)
&rst
ixpk= 567, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.80, r4= 7.55,
igr1= 149, 150, 151, 232, 233, 234, 236, 237, 238,
igr2= 166, 167, 168, 170, 171, 172,
&end
#
# 0 AMB 20-2:568 0 AMB 20-1:568 2.80 (# 568:20 Double Ambig)
&rst
ixpk= 568, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 52, 54, 244,
igr2= 56, 57, 58, 248, 249, 250,
&end
#
# 0 AMB 20-2:569 0 AMB 20-1:569 6.00 (# 569:20 Double Ambig)
&rst
ixpk= 569, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.58, r4=11.33,
igr1= 65, 66, 65, 66, 190,
igr2= 56, 57, 58, 248, 249, 250,
&end
#
# 0 AMB 20-2:570 0 AMB 20-1:570 4.50 (# 570:20 Double Ambig)
&rst
ixpk= 570, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.75, r4= 9.50,
igr1= 806, 807, 661, 662, 195, 196,
igr2= 216, 217, 218, 220, 221, 222, 594, 595, 596,
&end
#
# 0 AMB 20-2:571 0 AMB 20-1:571 4.50 (# 571:20 Double Ambig)
&rst
ixpk= 571, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.69, r4=11.44,
igr1= 328, 329, 330, 332, 333, 334, 345, 608, 609, 610,
612, 613, 614, 342, 343,
igr2= 216, 217, 218, 220, 221, 222, 624, 625, 626, 628,
629, 630,
&end
#
# 38 THR HB 38 THR MG2 2.80 (# 572:20 Unique 2.43, 2.66 A)
&rst
ixpk= 572, nxpk= 20, iat= 592, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 594, 595, 596,
&end
#
# 0 AMB 20-2:573 0 AMB 20-1:573 2.80 (# 573:20 Double Ambig)
&rst
ixpk= 573, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.82, r4= 6.57,
igr1= 664, 665, 666, 232, 233, 234, 236, 237, 238,
igr2= 594, 595, 596, 216, 217, 218, 220, 221, 222,
&end
#
# 90 THR HA 90 THR MG2 2.80 (# 574:20 Unique 2.46, 3.11 A)
&rst
ixpk= 574, nxpk= 20, iat=1416, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1420,1421,1422,
&end
#
# 99 LEU MDX 90 THR MG2 2.80 (# 575:20 Unique 2.25, 4.05 A)
&rst
ixpk= 575, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1554,1555,1556,1558,1559,1560,
igr2=1420,1421,1422,
&end
#
# 55 ILE HA 55 ILE QG2 3.50 (# 576:20 Unique 2.26, 3.10 A)
&rst
ixpk= 576, nxpk= 20, iat= 857, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 861, 862, 863,
&end
#
# 0 AMB 20-2:577 55 ILE QG2 3.50 (# 577:20 Single Ambig)
&rst
ixpk= 577, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 859,1027,1028,
igr2= 861, 862, 863,
&end
#
# 16 THR HB 16 THR MG2 2.80 (# 578:20 Unique 2.43, 2.66 A)
&rst
ixpk= 578, nxpk= 20, iat= 246, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 248, 249, 250,
&end
#
# 16 THR HG1 16 THR MG2 6.00 (# 579:20 Unique 2.24, 2.78 A)
&rst
ixpk= 579, nxpk= 20, iat= 252, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 248, 249, 250,
&end
#
# 15 VAL MGX 16 THR MG2 3.50 (# 580:20 Unique 2.40, 5.77 A)
&rst
ixpk= 580, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 232, 233, 234, 236, 237, 238,
igr2= 248, 249, 250,
&end
#
# 9 THR HB 9 THR MG2 2.80 (# 581:20 Unique 2.40, 2.65 A)
&rst
ixpk= 581, nxpk= 20, iat= 133, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 135, 136, 137,
&end
#
# 9 THR HA 9 THR MG2 2.80 (# 582:20 Unique 2.36, 3.09 A)
&rst
ixpk= 582, nxpk= 20, iat= 131, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 135, 136, 137,
&end
#
# 13 LYS HE- 9 THR MG2 6.00 (# 583:20 Unique 2.44, 4.90 A)
&rst
ixpk= 583, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 201, 202,
igr2= 135, 136, 137,
&end
#
# 27 THR HA 27 THR MG2 3.50 (# 584:20 Unique 2.49, 3.32 A)
&rst
ixpk= 584, nxpk= 20, iat= 425, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 429, 430, 431,
&end
#
# 27 THR HB 27 THR MG2 2.80 (# 585:20 Unique 2.39, 2.65 A)
&rst
ixpk= 585, nxpk= 20, iat= 427, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 429, 430, 431,
&end
#
# 30 PHE HB- 27 THR MG2 6.00 (# 586:20 Unique 2.48, 5.36 A)
&rst
ixpk= 586, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 475, 476,
igr2= 429, 430, 431,
&end
#
# 0 AMB 20-2:587 27 THR MG2 6.00 (# 587:20 Single Ambig)
&rst
ixpk= 587, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.42, r4=10.17,
igr1= 441, 442, 388, 389, 390,
igr2= 429, 430, 431,
&end
#
# 40 VAL HA 40 VAL MGY 4.50 (# 588:20 Unique 2.39, 3.36 A)
&rst
ixpk= 588, nxpk= 20, iat= 620, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 624, 625, 626, 628, 629, 630,
&end
#
# 0 AMB 20-2:589 40 VAL MGY 4.50 (# 589:20 Single Ambig)
&rst
ixpk= 589, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 702, 703, 702, 703,
igr2= 624, 625, 626, 628, 629, 630,
&end
#
# 0 AMB 20-2:590 40 VAL MGY 4.50 (# 590:20 Single Ambig)
&rst
ixpk= 590, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 495, 496, 638, 639,
igr2= 624, 625, 626, 628, 629, 630,
&end
#
# 0 AMB 20-2:591 40 VAL MGY 3.50 (# 591:20 Single Ambig)
&rst
ixpk= 591, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1= 498, 499, 342, 343, 696, 697, 693, 694,
igr2= 624, 625, 626, 628, 629, 630,
&end
#
# 0 AMB 20-2:592 40 VAL MGY 2.80 (# 592:20 Single Ambig)
&rst
ixpk= 592, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.22, r4= 5.97,
igr1= 388, 389, 390, 699, 700, 699, 700,
igr2= 624, 625, 626, 628, 629, 630,
&end
#
# 39 VAL MGX 90 THR MG2 2.80 (# 593:20 Unique 2.21, 4.19 A)
&rst
ixpk= 593, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 608, 609, 610, 612, 613, 614,
igr2=1420,1421,1422,
&end
#
# 90 THR HB 90 THR MG2 2.80 (# 594:20 Unique 2.43, 2.67 A)
&rst
ixpk= 594, nxpk= 20, iat=1418, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1420,1421,1422,
&end
#
# 0 AMB 20-2:595 90 THR MG2 2.80 (# 595:20 Single Ambig)
&rst
ixpk= 595, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.85, r4= 5.60,
igr1=1234,1235,1236,1238,1239,1240, 664, 665, 666,
igr2=1420,1421,1422,
&end
#
# 42 ILE QG2 90 THR MG2 2.80 (# 596:20 Unique 2.34, 4.51 A)
&rst
ixpk= 596, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 657, 658, 659,
igr2=1420,1421,1422,
&end
#
# 21 VAL MGX 14 VAL MGY 6.00 (# 597:20 Unique 2.26, 5.49 A)
&rst
ixpk= 597, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.90, r4=11.65,
igr1= 328, 329, 330, 332, 333, 334,
igr2= 216, 217, 218, 220, 221, 222,
&end
#
# 14 VAL HA 14 VAL MGY 3.50 (# 598:20 Unique 2.35, 3.30 A)
&rst
ixpk= 598, nxpk= 20, iat= 212, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 216, 217, 218, 220, 221, 222,
&end
#
# 53 VAL MGX 14 VAL MGY 4.50 (# 599:20 Unique 2.32, 5.69 A)
&rst
ixpk= 599, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 831, 832, 833, 835, 836, 837,
igr2= 216, 217, 218, 220, 221, 222,
&end
#
# 56 LEU HA 56 LEU MDY 3.50 (# 600:20 Unique 2.15, 3.49 A)
&rst
ixpk= 600, nxpk= 20, iat= 876, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 883, 884, 885, 887, 888, 889,
&end
#
# 75 PRO HG- 56 LEU MDY 8.00 (# 601:20 Unique 6.20,10.86 A)
&rst
ixpk= 601, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=12.10, r4=12.85,
igr1=1198,1199,
igr2= 883, 884, 885, 887, 888, 889,
&end
#
# 56 LEU HB+ 56 LEU MDY 2.80 (# 602:20 Unique 2.38, 3.44 A)
&rst
ixpk= 602, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 878, 879,
igr2= 883, 884, 885, 887, 888, 889,
&end
#
# 55 ILE QD1 56 LEU MDY 4.50 (# 603:20 Unique 2.22, 5.41 A)
&rst
ixpk= 603, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 868, 869, 870,
igr2= 883, 884, 885, 887, 888, 889,
&end
#
# 23 PHE HB- 55 ILE QG2 6.00 (# 604:20 Unique 2.26, 3.87 A)
&rst
ixpk= 604, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 361, 362,
igr2= 861, 862, 863,
&end
#
# 15 VAL HA 14 VAL MGY 4.50 (# 605:20 Unique 3.10, 5.56 A)
&rst
ixpk= 605, nxpk= 20, iat= 228, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 216, 217, 218, 220, 221, 222,
&end
#
# 0 AMB 20-2:606 103 VAL MGX 4.50 (# 606:20 Single Ambig)
&rst
ixpk= 606, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1683,1684,1680,1681,
igr2=1619,1620,1621,1623,1624,1625,
&end
#
# 0 AMB 20-2:607 103 VAL MGX 2.80 (# 607:20 Single Ambig)
&rst
ixpk= 607, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 759, 760, 761,1552,
igr2=1619,1620,1621,1623,1624,1625,
&end
#
# 103 VAL HA 103 VAL MGX 2.80 (# 608:20 Unique 2.41, 3.15 A)
&rst
ixpk= 608, nxpk= 20, iat=1615, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1619,1620,1621,1623,1624,1625,
&end
#
# 0 AMB 20-2:609 0 AMB 20-1:609 2.80 (# 609:20 Double Ambig)
&rst
ixpk= 609, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=1617, 979, 980, 979, 980,
igr2=1619,1620,1621,1623,1624,1625, 883, 884, 885, 887,
888, 889,
&end
#
# 0 AMB 20-2:610 91 VAL MGX 3.50 (# 610:20 Single Ambig)
&rst
ixpk= 610, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1500,1501,1500,1501,
igr2=1434,1435,1436,1438,1439,1440,
&end
#
# 0 AMB 20-2:611 0 AMB 20-1:611 2.80 (# 611:20 Double Ambig)
&rst
ixpk= 611, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 214,1432,
igr2= 216, 217, 218, 220, 221, 222,1434,1435,1436,1438,
1439,1440,
&end
#
# 21 VAL HA 21 VAL MGX 4.50 (# 612:20 Unique 2.41, 3.19 A)
&rst
ixpk= 612, nxpk= 20, iat= 324, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 328, 329, 330, 332, 333, 334,
&end
#
# 21 VAL HB 21 VAL MGX 2.80 (# 613:20 Unique 2.41, 2.66 A)
&rst
ixpk= 613, nxpk= 20, iat= 326, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 328, 329, 330, 332, 333, 334,
&end
#
# 14 VAL MGY 21 VAL MGX 8.00 (# 614:20 Unique 2.26, 5.49 A)
&rst
ixpk= 614, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=14.54, r4=15.29,
igr1= 216, 217, 218, 220, 221, 222,
igr2= 328, 329, 330, 332, 333, 334,
&end
#
# 53 VAL MGX 21 VAL MGX 4.50 (# 616:20 Unique 2.33, 6.00 A)
&rst
ixpk= 616, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 831, 832, 833, 835, 836, 837,
igr2= 328, 329, 330, 332, 333, 334,
&end
#
# 0 AMB 20-2:617 91 VAL MGX 3.50 (# 617:20 Single Ambig)
&rst
ixpk= 617, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1430, 544, 545,
igr2=1434,1435,1436,1438,1439,1440,
&end
#
# 0 AMB 20-2:618 91 VAL MGX 4.50 (# 618:20 Single Ambig)
&rst
ixpk= 618, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1503,1504,1503,1504,
igr2=1434,1435,1436,1438,1439,1440,
&end
#
# 66 LYS HA 73 THR MG2 8.00 (# 619:20 Unique 7.69, 9.19 A)
&rst
ixpk= 619, nxpk= 20, iat=1044, -1, r1= 0.00, r2= 1.80, r3= 9.61, r4=10.36,
igr2=1166,1167,1168,
&end
#
# 73 THR HB 73 THR MG2 3.50 (# 620:20 Unique 2.40, 2.65 A)
&rst
ixpk= 620, nxpk= 20, iat=1164, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1166,1167,1168,
&end
#
# 0 AMB 20-2:621 73 THR MG2 8.00 (# 621:20 Single Ambig)
&rst
ixpk= 621, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=12.10, r4=12.85,
igr1=1360,1361,1215,1216,
igr2=1166,1167,1168,
&end
#
# 73 THR HA 73 THR MG2 3.50 (# 622:20 Unique 2.39, 3.11 A)
&rst
ixpk= 622, nxpk= 20, iat=1162, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1166,1167,1168,
&end
#
# 73 THR HG1 73 THR MG2 3.50 (# 623:20 Unique 2.23, 3.26 A)
&rst
ixpk= 623, nxpk= 20, iat=1170, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1166,1167,1168,
&end
#
# 72 PRO HG- 73 THR MG2 6.00 (# 624:20 Unique 2.49, 5.33 A)
&rst
ixpk= 624, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1150,1151,
igr2=1166,1167,1168,
&end
#
# 10 THR HB 10 THR MG2 2.80 (# 625:20 Unique 2.42, 2.67 A)
&rst
ixpk= 625, nxpk= 20, iat= 147, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 149, 150, 151,
&end
#
# 10 THR HA 10 THR MG2 2.80 (# 626:20 Unique 2.46, 3.13 A)
&rst
ixpk= 626, nxpk= 20, iat= 145, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 149, 150, 151,
&end
#
# 0 AMB 20-2:627 10 THR MG2 4.50 (# 627:20 Single Ambig)
&rst
ixpk= 627, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.75, r4= 9.50,
igr1= 97, 98, 99, 101, 102, 103, 97, 98, 99, 101,
102, 103, 831, 832, 833, 835, 836, 837,
igr2= 149, 150, 151,
&end
#
# 11 LEU MDY 10 THR MG2 4.50 (# 629:20 Unique 2.43, 6.53 A)
&rst
ixpk= 629, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 166, 167, 168, 170, 171, 172,
igr2= 149, 150, 151,
&end
#
# 0 AMB 20-2:630 10 THR MG2 4.50 (# 630:20 Single Ambig)
&rst
ixpk= 630, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 164, 195, 196,
igr2= 149, 150, 151,
&end
#
# 0 AMB 20-2:631 20 VAL MGX 2.80 (# 631:20 Single Ambig)
&rst
ixpk= 631, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 783, 784, 310,
igr2= 312, 313, 314, 316, 317, 318,
&end
#
# 0 AMB 20-2:632 20 VAL MGX 4.50 (# 632:20 Single Ambig)
&rst
ixpk= 632, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 769, 770, 288, 289,
igr2= 312, 313, 314, 316, 317, 318,
&end
#
# 20 VAL HA 20 VAL MGX 3.50 (# 633:20 Unique 2.26, 3.32 A)
&rst
ixpk= 633, nxpk= 20, iat= 308, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 312, 313, 314, 316, 317, 318,
&end
#
# 0 AMB 20-2:634 20 VAL MGX 4.50 (# 634:20 Single Ambig)
&rst
ixpk= 634, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 291, 292,1670,1671,1672,
igr2= 312, 313, 314, 316, 317, 318,
&end
#
# 15 VAL HA 15 VAL MGY 3.50 (# 636:20 Unique 2.36, 3.34 A)
&rst
ixpk= 636, nxpk= 20, iat= 228, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 232, 233, 234, 236, 237, 238,
&end
#
# 14 VAL MGY 15 VAL MGY 4.50 (# 638:20 Unique 2.58, 7.14 A)
&rst
ixpk= 638, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 216, 217, 218, 220, 221, 222,
igr2= 232, 233, 234, 236, 237, 238,
&end
#
# 15 VAL HB 15 VAL MGY 2.80 (# 639:20 Unique 2.37, 2.66 A)
&rst
ixpk= 639, nxpk= 20, iat= 230, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 232, 233, 234, 236, 237, 238,
&end
#
# 21 VAL MGY 15 VAL MGY 4.50 (# 640:20 Unique 2.23, 5.87 A)
&rst
ixpk= 640, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 328, 329, 330, 332, 333, 334,
igr2= 232, 233, 234, 236, 237, 238,
&end
#
# 21 VAL MGX 15 VAL MGY 4.50 (# 641:20 Unique 2.23, 5.87 A)
&rst
ixpk= 641, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 328, 329, 330, 332, 333, 334,
igr2= 232, 233, 234, 236, 237, 238,
&end
#
# 43 LEU HA 43 LEU MDY 2.80 (# 642:20 Unique 2.16, 3.90 A)
&rst
ixpk= 642, nxpk= 20, iat= 672, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 679, 680, 681, 683, 684, 685,
&end
#
# 43 LEU HG 43 LEU MDY 2.80 (# 643:20 Unique 2.36, 2.66 A)
&rst
ixpk= 643, nxpk= 20, iat= 677, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 679, 680, 681, 683, 684, 685,
&end
#
# 0 AMB 20-2:644 43 LEU MDY 2.80 (# 644:20 Single Ambig)
&rst
ixpk= 644, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 674, 675,1552,
igr2= 679, 680, 681, 683, 684, 685,
&end
#
# 0 AMB 20-2:645 43 LEU MDY 4.50 (# 645:20 Single Ambig)
&rst
ixpk= 645, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.18, r4= 9.93,
igr1= 312, 313, 314, 316, 317, 318, 608, 609, 610, 612,
613, 614,
igr2= 679, 680, 681, 683, 684, 685,
&end
#
# 0 AMB 20-2:646 43 LEU MDY 2.80 (# 646:20 Single Ambig)
&rst
ixpk= 646, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 312, 313, 314, 316, 317, 318,1619,1620,1621,1623,
1624,1625,1232, 731, 732, 733, 735, 736, 737,
igr2= 679, 680, 681, 683, 684, 685,
&end
#
# 77 LEU MDX 43 LEU MDY 4.50 (# 647:20 Unique 2.14, 4.42 A)
&rst
ixpk= 647, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1234,1235,1236,1238,1239,1240,
igr2= 679, 680, 681, 683, 684, 685,
&end
#
# 42 ILE QG2 43 LEU MDY 3.50 (# 648:20 Unique 2.80, 5.85 A)
&rst
ixpk= 648, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 657, 658, 659,
igr2= 679, 680, 681, 683, 684, 685,
&end
#
# 0 AMB 20-2:650 53 VAL MGY 3.50 (# 650:20 Single Ambig)
&rst
ixpk= 650, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1= 216, 217, 218, 220, 221, 222, 803, 804,
igr2= 831, 832, 833, 835, 836, 837,
&end
#
# 53 VAL HB 53 VAL MGY 2.80 (# 651:20 Unique 2.43, 2.67 A)
&rst
ixpk= 651, nxpk= 20, iat= 829, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 831, 832, 833, 835, 836, 837,
&end
#
# 79 ILE QD1 20 VAL MGX 6.00 (# 652:20 Unique 2.45, 5.86 A)
&rst
ixpk= 652, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.71, r4=10.46,
igr1=1278,1279,1280,
igr2= 312, 313, 314, 316, 317, 318,
&end
#
# 53 VAL HA 53 VAL MGY 3.50 (# 653:20 Unique 2.48, 3.16 A)
&rst
ixpk= 653, nxpk= 20, iat= 827, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 831, 832, 833, 835, 836, 837,
&end
#
# 71 TRP HA 72 PRO HD- 3.50 (# 655:20 Unique 2.14, 2.38 A)
&rst
ixpk= 655, nxpk= 20, iat=1124, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1147,1148,
&end
#
# 72 PRO HG+ 72 PRO HD- 4.50 (# 657:20 Unique 2.32, 2.61 A)
&rst
ixpk= 657, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1150,1151,
igr2=1147,1148,
&end
#
# 71 TRP HA 72 PRO HD+ 3.50 (# 658:20 Unique 2.14, 2.38 A)
&rst
ixpk= 658, nxpk= 20, iat=1124, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1147,1148,
&end
#
# 72 PRO HG+ 72 PRO HD+ 4.50 (# 660:20 Unique 2.32, 2.61 A)
&rst
ixpk= 660, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1150,1151,
igr2=1147,1148,
&end
#
# 72 PRO HG- 72 PRO HD+ 4.50 (# 661:20 Unique 2.32, 2.61 A)
&rst
ixpk= 661, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1150,1151,
igr2=1147,1148,
&end
#
# 2 ALA HA 2 ALA MB 2.80 (# 662:20 Unique 2.43, 2.67 A)
&rst
ixpk= 662, nxpk= 20, iat= 23, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 25, 26, 27,
&end
#
# 30 PHE HA 31 PRO HD+ 3.50 (# 663:20 Unique 2.12, 2.54 A)
&rst
ixpk= 663, nxpk= 20, iat= 473, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 492, 493,
&end
#
# 31 PRO HG- 31 PRO HD+ 4.50 (# 664:20 Unique 2.32, 2.61 A)
&rst
ixpk= 664, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 495, 496,
igr2= 492, 493,
&end
#
# 0 AMB 20-2:665 0 AMB 20-1:665 4.50 (# 665:20 Double Ambig)
&rst
ixpk= 665, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 495, 496, 498, 499,
igr2= 492, 493, 492, 493,
&end
#
# 30 PHE HA 31 PRO HD- 3.50 (# 666:20 Unique 2.12, 2.54 A)
&rst
ixpk= 666, nxpk= 20, iat= 473, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 492, 493,
&end
#
# 31 PRO HG- 31 PRO HD- 4.50 (# 667:20 Unique 2.32, 2.61 A)
&rst
ixpk= 667, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 495, 496,
igr2= 492, 493,
&end
#
# 0 AMB 20-2:668 31 PRO HD- 3.50 (# 668:20 Single Ambig)
&rst
ixpk= 668, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 495, 496, 498, 499,
igr2= 492, 493,
&end
#
# 53 VAL HA 53 VAL MGX 2.80 (# 669:20 Unique 2.48, 3.16 A)
&rst
ixpk= 669, nxpk= 20, iat= 827, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 831, 832, 833, 835, 836, 837,
&end
#
# 53 VAL HB 53 VAL MGX 2.80 (# 670:20 Unique 2.43, 2.67 A)
&rst
ixpk= 670, nxpk= 20, iat= 829, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 831, 832, 833, 835, 836, 837,
&end
#
# 0 AMB 20-2:671 53 VAL MGX 4.50 (# 671:20 Single Ambig)
&rst
ixpk= 671, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 806, 807, 963,
igr2= 831, 832, 833, 835, 836, 837,
&end
#
# 21 VAL MGX 53 VAL MGX 3.50 (# 673:20 Unique 2.33, 6.00 A)
&rst
ixpk= 673, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 328, 329, 330, 332, 333, 334,
igr2= 831, 832, 833, 835, 836, 837,
&end
#
# 89 ILE QG2 93 ALA MB 6.00 (# 674:20 Unique 3.30, 5.52 A)
&rst
ixpk= 674, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.65, r4= 9.40,
igr1=1401,1402,1403,
igr2=1463,1464,1465,
&end
#
# 99 LEU MDY 93 ALA MB 4.50 (# 675:20 Unique 3.47, 5.72 A)
&rst
ixpk= 675, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1554,1555,1556,1558,1559,1560,
igr2=1463,1464,1465,
&end
#
# 93 ALA HA 93 ALA MB 2.80 (# 676:20 Unique 2.44, 2.66 A)
&rst
ixpk= 676, nxpk= 20, iat=1461, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1463,1464,1465,
&end
#
# 90 THR HA 93 ALA MB 3.50 (# 677:20 Unique 2.24, 3.43 A)
&rst
ixpk= 677, nxpk= 20, iat=1416, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1463,1464,1465,
&end
#
# 0 AMB 20-2:678 93 ALA MB 2.80 (# 678:20 Single Ambig)
&rst
ixpk= 678, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1534,1535,1534,1535,
igr2=1463,1464,1465,
&end
#
# 0 AMB 20-2:679 93 ALA MB 3.50 (# 679:20 Single Ambig)
&rst
ixpk= 679, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1549,1550,1405,1406,
igr2=1463,1464,1465,
&end
#
# 48 ALA HA 48 ALA MB 2.80 (# 680:20 Unique 2.38, 2.66 A)
&rst
ixpk= 680, nxpk= 20, iat= 757, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 759, 760, 761,
&end
#
# 49 PRO HD+ 48 ALA MB 4.50 (# 681:20 Unique 2.25, 3.99 A)
&rst
ixpk= 681, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 766, 767,
igr2= 759, 760, 761,
&end
#
# 49 PRO HD- 48 ALA MB 4.50 (# 682:20 Unique 2.25, 3.99 A)
&rst
ixpk= 682, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 766, 767,
igr2= 759, 760, 761,
&end
#
# 46 LEU HB+ 48 ALA MB 6.00 (# 683:20 Unique 3.13, 5.17 A)
&rst
ixpk= 683, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 726, 727,
igr2= 759, 760, 761,
&end
#
# 0 AMB 20-2:684 48 ALA MB 4.50 (# 684:20 Single Ambig)
&rst
ixpk= 684, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 726, 727, 288, 289,
igr2= 759, 760, 761,
&end
#
# 0 AMB 20-2:686 48 ALA MB 2.80 (# 686:20 Single Ambig)
&rst
ixpk= 686, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 312, 313, 314, 316, 317, 318,1619,1620,1621,1623,
1624,1625,
igr2= 759, 760, 761,
&end
#
# 43 LEU MDY 48 ALA MB 4.50 (# 687:20 Unique 3.49, 5.94 A)
&rst
ixpk= 687, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 679, 680, 681, 683, 684, 685,
igr2= 759, 760, 761,
&end
#
# 12 ASP HA 15 VAL MGX 4.50 (# 688:20 Unique 2.11, 4.37 A)
&rst
ixpk= 688, nxpk= 20, iat= 178, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 232, 233, 234, 236, 237, 238,
&end
#
# 15 VAL HA 15 VAL MGX 4.50 (# 689:20 Unique 2.36, 3.34 A)
&rst
ixpk= 689, nxpk= 20, iat= 228, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 232, 233, 234, 236, 237, 238,
&end
#
# 81 GLY HA- 15 VAL MGX 6.00 (# 690:20 Unique 2.30, 4.93 A)
&rst
ixpk= 690, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1298,1299,
igr2= 232, 233, 234, 236, 237, 238,
&end
#
# 15 VAL HB 15 VAL MGX 2.80 (# 691:20 Unique 2.37, 2.66 A)
&rst
ixpk= 691, nxpk= 20, iat= 230, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 232, 233, 234, 236, 237, 238,
&end
#
# 16 THR MG2 15 VAL MGX 2.80 (# 692:20 Unique 2.40, 5.77 A)
&rst
ixpk= 692, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 248, 249, 250,
igr2= 232, 233, 234, 236, 237, 238,
&end
#
# 21 VAL MGY 15 VAL MGX 6.00 (# 694:20 Unique 2.23, 5.87 A)
&rst
ixpk= 694, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.90, r4=11.65,
igr1= 328, 329, 330, 332, 333, 334,
igr2= 232, 233, 234, 236, 237, 238,
&end
#
# 19 LYS HD+ 106 ALA MB 4.50 (# 695:20 Unique 2.41, 5.02 A)
&rst
ixpk= 695, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 294, 295,
igr2=1670,1671,1672,
&end
#
# 106 ALA HA 106 ALA MB 2.80 (# 696:20 Unique 2.44, 2.66 A)
&rst
ixpk= 696, nxpk= 20, iat=1668, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1670,1671,1672,
&end
#
# 103 VAL HA 106 ALA MB 3.50 (# 697:20 Unique 2.30, 3.33 A)
&rst
ixpk= 697, nxpk= 20, iat=1615, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1670,1671,1672,
&end
#
# 80 ASP HB- 106 ALA MB 3.50 (# 698:20 Unique 2.30, 3.93 A)
&rst
ixpk= 698, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1288,1289,
igr2=1670,1671,1672,
&end
#
# 19 LYS HB- 106 ALA MB 4.50 (# 699:20 Unique 2.48, 5.17 A)
&rst
ixpk= 699, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 288, 289,
igr2=1670,1671,1672,
&end
#
# 0 AMB 20-2:700 106 ALA MB 3.50 (# 700:20 Single Ambig)
&rst
ixpk= 700, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
igr1=1269, 288, 289, 291, 292,
igr2=1670,1671,1672,
&end
#
# 79 ILE QG2 106 ALA MB 2.80 (# 701:20 Unique 2.31, 3.54 A)
&rst
ixpk= 701, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1=1271,1272,1273,
igr2=1670,1671,1672,
&end
#
# 6 ALA HA 6 ALA MB 2.80 (# 703:20 Unique 2.41, 2.66 A)
&rst
ixpk= 703, nxpk= 20, iat= 80, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 82, 83, 84,
&end
#
# 31 PRO HA 24 MET ME 4.50 (# 704:20 Unique 2.12, 3.08 A)
&rst
ixpk= 704, nxpk= 20, iat= 501, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 388, 389, 390,
&end
#
# 0 AMB 20-2:705 24 MET ME 4.50 (# 705:20 Single Ambig)
&rst
ixpk= 705, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 342, 343, 345,
igr2= 388, 389, 390,
&end
#
# 52 SER HB+ 24 MET ME 3.50 (# 706:20 Unique 2.22, 4.31 A)
&rst
ixpk= 706, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 818, 819,
igr2= 388, 389, 390,
&end
#
# 28 LYS HA 24 MET ME 4.50 (# 707:20 Unique 3.74, 5.09 A)
&rst
ixpk= 707, nxpk= 20, iat= 439, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 388, 389, 390,
&end
#
# 0 AMB 20-2:708 24 MET ME 2.80 (# 708:20 Single Ambig)
&rst
ixpk= 708, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 512, 513, 512, 513,
igr2= 388, 389, 390,
&end
#
# 0 AMB 20-2:709 24 MET ME 2.80 (# 709:20 Single Ambig)
&rst
ixpk= 709, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 498, 499, 342, 343,
igr2= 388, 389, 390,
&end
#
# 24 MET HB- 24 MET ME 4.50 (# 710:20 Unique 2.37, 4.13 A)
&rst
ixpk= 710, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 381, 382,
igr2= 388, 389, 390,
&end
#
# 0 AMB 20-2:711 24 MET ME 2.80 (# 711:20 Single Ambig)
&rst
ixpk= 711, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.65, r4= 5.40,
igr1= 624, 625, 626, 628, 629, 630, 567,
igr2= 388, 389, 390,
&end
#
# 0 AMB 20-2:712 79 ILE QG2 2.80 (# 712:20 Single Ambig)
&rst
ixpk= 712, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 308,1267,
igr2=1271,1272,1273,
&end
#
# 103 VAL HA 79 ILE QG2 3.50 (# 713:20 Unique 2.60, 4.25 A)
&rst
ixpk= 713, nxpk= 20, iat=1615, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1271,1272,1273,
&end
#
# 80 ASP HB- 79 ILE QG2 4.50 (# 714:20 Unique 2.33, 4.51 A)
&rst
ixpk= 714, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1288,1289,
igr2=1271,1272,1273,
&end
#
# 0 AMB 20-2:715 79 ILE QG2 4.50 (# 715:20 Single Ambig)
&rst
ixpk= 715, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
igr1=1600,1601,1600,1601,1617,
igr2=1271,1272,1273,
&end
#
# 0 AMB 20-2:716 79 ILE QG2 2.80 (# 716:20 Single Ambig)
&rst
ixpk= 716, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
igr1=1269, 291, 292, 288, 289,
igr2=1271,1272,1273,
&end
#
# 106 ALA MB 79 ILE QG2 2.80 (# 717:20 Unique 2.31, 3.54 A)
&rst
ixpk= 717, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1=1670,1671,1672,
igr2=1271,1272,1273,
&end
#
# 79 ILE HG1- 79 ILE QG2 4.50 (# 718:20 Unique 2.51, 3.57 A)
&rst
ixpk= 718, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1275,1276,
igr2=1271,1272,1273,
&end
#
# 0 AMB 20-2:719 79 ILE QG2 4.50 (# 719:20 Single Ambig)
&rst
ixpk= 719, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.39, r4= 9.14,
igr1= 328, 329, 330, 332, 333, 334, 342, 343, 608, 609,
610, 612, 613, 614,
igr2=1271,1272,1273,
&end
#
# 79 ILE QD1 79 ILE QG2 3.50 (# 720:20 Unique 2.21, 3.70 A)
&rst
ixpk= 720, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1278,1279,1280,
igr2=1271,1272,1273,
&end
#
# 89 ILE HG1- 89 ILE QG2 4.50 (# 721:20 Unique 2.39, 3.55 A)
&rst
ixpk= 721, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1405,1406,
igr2=1401,1402,1403,
&end
#
# 89 ILE QD1 89 ILE QG2 2.80 (# 722:20 Unique 2.22, 3.76 A)
&rst
ixpk= 722, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1=1408,1409,1410,
igr2=1401,1402,1403,
&end
#
# 89 ILE HA 89 ILE QG2 3.50 (# 723:20 Unique 2.45, 3.44 A)
&rst
ixpk= 723, nxpk= 20, iat=1397, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1401,1402,1403,
&end
#
# 89 ILE HB 89 ILE QG2 3.50 (# 724:20 Unique 2.42, 2.66 A)
&rst
ixpk= 724, nxpk= 20, iat=1399, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1401,1402,1403,
&end
#
# 89 ILE HG1+ 89 ILE QG2 3.50 (# 725:20 Unique 2.39, 3.55 A)
&rst
ixpk= 725, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1405,1406,
igr2=1401,1402,1403,
&end
#
# 85 GLY HA+ 89 ILE QG2 4.50 (# 726:20 Unique 2.48, 4.74 A)
&rst
ixpk= 726, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1360,1361,
igr2=1401,1402,1403,
&end
#
# 85 GLY HA- 89 ILE QG2 6.00 (# 727:20 Unique 2.48, 4.74 A)
&rst
ixpk= 727, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1360,1361,
igr2=1401,1402,1403,
&end
#
# 43 LEU MDY 42 ILE QG2 4.50 (# 728:20 Unique 2.80, 5.85 A)
&rst
ixpk= 728, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 679, 680, 681, 683, 684, 685,
igr2= 657, 658, 659,
&end
#
# 0 AMB 20-2:729 42 ILE QG2 4.50 (# 729:20 Single Ambig)
&rst
ixpk= 729, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1473,1474, 604,
igr2= 657, 658, 659,
&end
#
# 0 AMB 20-2:730 42 ILE QG2 3.50 (# 730:20 Single Ambig)
&rst
ixpk= 730, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1473,1474, 653,
igr2= 657, 658, 659,
&end
#
# 42 ILE HB 42 ILE QG2 2.80 (# 731:20 Unique 2.41, 2.65 A)
&rst
ixpk= 731, nxpk= 20, iat= 655, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 657, 658, 659,
&end
#
# 0 AMB 20-2:732 42 ILE QG2 6.00 (# 732:20 Single Ambig)
&rst
ixpk= 732, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.39, r4=11.14,
igr1=1552, 608, 609, 610, 612, 613, 614,1549,1550,
igr2= 657, 658, 659,
&end
#
# 90 THR MG2 42 ILE QG2 3.50 (# 733:20 Unique 2.34, 4.51 A)
&rst
ixpk= 733, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1420,1421,1422,
igr2= 657, 658, 659,
&end
#
# 99 LEU MDX 42 ILE QG2 3.50 (# 734:20 Unique 2.39, 4.55 A)
&rst
ixpk= 734, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1554,1555,1556,1558,1559,1560,
igr2= 657, 658, 659,
&end
#
# 42 ILE QD1 42 ILE QG2 2.80 (# 735:20 Unique 2.20, 3.76 A)
&rst
ixpk= 735, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 664, 665, 666,
igr2= 657, 658, 659,
&end
#
# 22 LEU HA 22 LEU HB- 6.00 (# 738:20 Unique 2.48, 2.83 A)
&rst
ixpk= 738, nxpk= 20, iat= 340, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 342, 343,
&end
#
# 89 ILE QG2 85 GLY HA- 4.50 (# 741:20 Unique 2.48, 4.74 A)
&rst
ixpk= 741, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1401,1402,1403,
igr2=1360,1361,
&end
#
# 89 ILE QG2 85 GLY HA+ 3.50 (# 742:20 Unique 2.48, 4.74 A)
&rst
ixpk= 742, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1401,1402,1403,
igr2=1360,1361,
&end
#
# 91 VAL HA 42 ILE QD1 4.50 (# 743:20 Unique 2.44, 3.21 A)
&rst
ixpk= 743, nxpk= 20, iat=1430, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 664, 665, 666,
&end
#
# 0 AMB 20-2:744 42 ILE QD1 3.50 (# 744:20 Single Ambig)
&rst
ixpk= 744, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 604,1473,1474,
igr2= 664, 665, 666,
&end
#
# 94 TYR HB- 42 ILE QD1 4.50 (# 745:20 Unique 2.54, 4.08 A)
&rst
ixpk= 745, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1473,1474,
igr2= 664, 665, 666,
&end
#
# 0 AMB 20-2:746 42 ILE QD1 2.80 (# 746:20 Single Ambig)
&rst
ixpk= 746, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 661, 662, 655,
igr2= 664, 665, 666,
&end
#
# 0 AMB 20-2:747 42 ILE QD1 2.80 (# 747:20 Single Ambig)
&rst
ixpk= 747, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.85, r4= 5.60,
igr1=1434,1435,1436,1438,1439,1440, 594, 595, 596,
igr2= 664, 665, 666,
&end
#
# 99 LEU MDX 42 ILE QD1 4.50 (# 748:20 Unique 3.93, 7.03 A)
&rst
ixpk= 748, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1554,1555,1556,1558,1559,1560,
igr2= 664, 665, 666,
&end
#
# 0 AMB 20-2:749 42 ILE QD1 2.80 (# 749:20 Single Ambig)
&rst
ixpk= 749, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
igr1= 657, 658, 659, 661, 662,
igr2= 664, 665, 666,
&end
#
# 0 AMB 20-2:750 55 ILE QD1 4.50 (# 750:20 Single Ambig)
&rst
ixpk= 750, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 361, 362,1178,1179, 407, 408,
igr2= 868, 869, 870,
&end
#
# 0 AMB 20-2:751 55 ILE QD1 4.50 (# 751:20 Single Ambig)
&rst
ixpk= 751, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 859,1027,1028,
igr2= 868, 869, 870,
&end
#
# 56 LEU HB+ 55 ILE QD1 4.50 (# 752:20 Unique 3.10, 6.10 A)
&rst
ixpk= 752, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 878, 879,
igr2= 868, 869, 870,
&end
#
# 25 LYS HD- 55 ILE QD1 6.00 (# 753:20 Unique 3.56, 6.04 A)
&rst
ixpk= 753, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 404, 405,
igr2= 868, 869, 870,
&end
#
# 0 AMB 20-2:754 55 ILE QD1 2.80 (# 754:20 Single Ambig)
&rst
ixpk= 754, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.22, r4= 5.97,
igr1= 883, 884, 885, 887, 888, 889, 865, 866, 965, 966,
967, 969, 970, 971,
igr2= 868, 869, 870,
&end
#
# 77 LEU MDX 77 LEU HB- 4.50 (# 755:20 Unique 2.31, 3.32 A)
&rst
ixpk= 755, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1234,1235,1236,1238,1239,1240,
igr2=1229,1230,
&end
#
# 77 LEU HG 77 LEU HB- 4.50 (# 757:20 Unique 2.36, 2.77 A)
&rst
ixpk= 757, nxpk= 20, iat=1232, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1229,1230,
&end
#
# 77 LEU MDY 77 LEU HB+ 3.50 (# 758:20 Unique 2.31, 3.32 A)
&rst
ixpk= 758, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1234,1235,1236,1238,1239,1240,
igr2=1229,1230,
&end
#
# 77 LEU HG 77 LEU HB+ 6.00 (# 759:20 Unique 2.36, 2.77 A)
&rst
ixpk= 759, nxpk= 20, iat=1232, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1229,1230,
&end
#
# 77 LEU MDX 77 LEU HB+ 4.50 (# 761:20 Unique 2.31, 3.32 A)
&rst
ixpk= 761, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1234,1235,1236,1238,1239,1240,
igr2=1229,1230,
&end
#
# 0 AMB 20-2:763 0 AMB 20-1:763 4.50 (# 763:20 Double Ambig)
&rst
ixpk= 763, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1198,1199, 381, 382,
igr2= 407, 408, 407, 408,
&end
#
# 0 AMB 20-2:765 25 LYS HE- 4.50 (# 765:20 Single Ambig)
&rst
ixpk= 765, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1198,1199, 381, 382,
igr2= 407, 408,
&end
#
# 85 GLY HA+ 89 ILE QD1 6.00 (# 766:20 Unique 2.44, 4.88 A)
&rst
ixpk= 766, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1360,1361,
igr2=1408,1409,1410,
&end
#
# 0 AMB 20-2:767 79 ILE QD1 4.50 (# 767:20 Single Ambig)
&rst
ixpk= 767, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1603,1604,1342,1343,
igr2=1278,1279,1280,
&end
#
# 89 ILE HA 89 ILE QD1 6.00 (# 768:20 Unique 2.45, 4.55 A)
&rst
ixpk= 768, nxpk= 20, iat=1397, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2=1408,1409,1410,
&end
#
# 85 GLY HA- 89 ILE QD1 6.00 (# 769:20 Unique 2.44, 4.88 A)
&rst
ixpk= 769, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1360,1361,
igr2=1408,1409,1410,
&end
#
# 89 ILE HG1- 89 ILE QD1 3.50 (# 770:20 Unique 2.37, 2.66 A)
&rst
ixpk= 770, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1405,1406,
igr2=1408,1409,1410,
&end
#
# 89 ILE HB 89 ILE QD1 3.50 (# 771:20 Unique 2.46, 3.20 A)
&rst
ixpk= 771, nxpk= 20, iat=1399, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1408,1409,1410,
&end
#
# 89 ILE HG1+ 89 ILE QD1 2.80 (# 772:20 Unique 2.37, 2.66 A)
&rst
ixpk= 772, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1405,1406,
igr2=1408,1409,1410,
&end
#
# 89 ILE QG2 89 ILE QD1 2.80 (# 773:20 Unique 2.22, 3.76 A)
&rst
ixpk= 773, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1=1401,1402,1403,
igr2=1408,1409,1410,
&end
#
# 0 AMB 20-2:774 79 ILE QD1 3.50 (# 774:20 Single Ambig)
&rst
ixpk= 774, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1600,1601,1600,1601,1307,1308,
igr2=1278,1279,1280,
&end
#
# 79 ILE HB 79 ILE QD1 3.50 (# 775:20 Unique 2.43, 3.19 A)
&rst
ixpk= 775, nxpk= 20, iat=1269, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1278,1279,1280,
&end
#
# 79 ILE HG1- 79 ILE QD1 2.80 (# 776:20 Unique 2.35, 2.65 A)
&rst
ixpk= 776, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1275,1276,
igr2=1278,1279,1280,
&end
#
# 0 AMB 20-2:777 79 ILE QD1 2.80 (# 777:20 Single Ambig)
&rst
ixpk= 777, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
igr1=1271,1272,1273,1275,1276,1619,1620,1621,1623,1624,
1625, 312, 313, 314, 316, 317, 318,
igr2=1278,1279,1280,
&end
#
# 77 LEU MDX 79 ILE QD1 4.50 (# 778:20 Unique 2.30, 5.12 A)
&rst
ixpk= 778, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1234,1235,1236,1238,1239,1240,
igr2=1278,1279,1280,
&end
#
# 0 AMB 20-2:782 0 AMB 20-1:782 2.80 (# 782:20 Double Ambig)
&rst
ixpk= 782, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.03, r4= 7.78,
igr1= 40, 41, 42, 44, 45, 46, 40, 41, 42, 44,
45, 46, 946, 947, 948, 950, 951, 952, 946, 947,
948, 950, 951, 952, 38,
igr2= 35, 36, 35, 36, 35, 36, 35, 36, 35, 36,
&end
#
# 3 LEU HA 3 LEU HB- 4.50 (# 783:20 Unique 2.32, 2.73 A)
&rst
ixpk= 783, nxpk= 20, iat= 33, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 35, 36,
&end
#
# 0 AMB 20-2:784 3 LEU HB- 6.00 (# 784:20 Single Ambig)
&rst
ixpk= 784, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
igr1=1068,1069,1068,1069,
igr2= 35, 36,
&end
#
# 0 AMB 20-2:786 3 LEU HB- 2.80 (# 786:20 Single Ambig)
&rst
ixpk= 786, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.37, r4= 6.12,
igr1= 40, 41, 42, 44, 45, 46, 40, 41, 42, 44,
45, 46, 946, 947, 948, 950, 951, 952, 946, 947,
948, 950, 951, 952, 38,
igr2= 35, 36,
&end
#
# 8 LYS HD+ 8 LYS HE+ 2.80 (# 787:20 Unique 2.36, 2.77 A)
&rst
ixpk= 787, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 117, 118,
igr2= 120, 121,
&end
#
# 8 LYS HG- 8 LYS HE- 4.50 (# 789:20 Unique 2.43, 3.13 A)
&rst
ixpk= 789, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 114, 115,
igr2= 120, 121,
&end
#
# 8 LYS HB- 8 LYS HE- 4.50 (# 790:20 Unique 2.14, 3.60 A)
&rst
ixpk= 790, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 111, 112,
igr2= 120, 121,
&end
#
# 0 AMB 20-2:791 0 AMB 20-1:791 2.80 (# 791:20 Double Ambig)
&rst
ixpk= 791, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1= 288, 289, 288, 289, 291, 292, 291, 292,
igr2= 297, 298, 297, 298, 297, 298,
&end
#
# 0 AMB 20-2:792 0 AMB 20-1:792 2.80 (# 792:20 Double Ambig)
&rst
ixpk= 792, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 294, 295, 35, 36,
igr2= 297, 298, 297, 298, 120, 121,
&end
#
# 0 AMB 20-2:793 0 AMB 20-1:793 4.50 (# 793:20 Double Ambig)
&rst
ixpk= 793, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1651,1652,1497,1498,
igr2=1657,1658,1503,1504,
&end
#
# 91 VAL MGX 0 AMB 20-1:794 3.50 (# 794:20 Single Ambig)
&rst
ixpk= 794, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1434,1435,1436,1438,1439,1440,
igr2=1503,1504,1503,1504,
&end
#
# 0 AMB 20-2:795 0 AMB 20-1:795 2.80 (# 795:20 Double Ambig)
&rst
ixpk= 795, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.18, r4= 5.93,
igr1=1052,1053,1052,1053, 198, 199, 198, 199,1150,1151,
igr2=1055,1056, 201, 202,
&end
#
# 0 AMB 20-2:796 0 AMB 20-1:796 4.50 (# 796:20 Double Ambig)
&rst
ixpk= 796, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 195, 196,1049,1050,
igr2= 201, 202,1055,1056,
&end
#
# 0 AMB 20-2:797 0 AMB 20-1:797 6.00 (# 797:20 Double Ambig)
&rst
ixpk= 797, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.52, r4=10.27,
igr1= 195, 196,1049,1050,
igr2= 201, 202,1055,1056,
&end
#
# 65 LEU HG 65 LEU HB+ 6.00 (# 798:20 Unique 2.25, 2.66 A)
&rst
ixpk= 798, nxpk= 20, iat=1030, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1027,1028,
&end
#
# 46 LEU MDY 46 LEU HB+ 6.00 (# 800:20 Unique 2.34, 3.33 A)
&rst
ixpk= 800, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 731, 732, 733, 735, 736, 737,
igr2= 726, 727,
&end
#
# 46 LEU MDX 46 LEU HB+ 3.50 (# 801:20 Unique 2.34, 3.33 A)
&rst
ixpk= 801, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 731, 732, 733, 735, 736, 737,
igr2= 726, 727,
&end
#
# 46 LEU HA 46 LEU HB+ 4.50 (# 802:20 Unique 2.42, 2.77 A)
&rst
ixpk= 802, nxpk= 20, iat= 724, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 726, 727,
&end
#
# 65 LEU HA 65 LEU HB- 6.00 (# 803:20 Unique 2.40, 2.77 A)
&rst
ixpk= 803, nxpk= 20, iat=1025, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1027,1028,
&end
#
# 46 LEU HA 46 LEU HB- 3.50 (# 805:20 Unique 2.42, 2.77 A)
&rst
ixpk= 805, nxpk= 20, iat= 724, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 726, 727,
&end
#
# 61 LEU HA 0 AMB 20-1:806 2.80 (# 806:20 Single Ambig)
&rst
ixpk= 806, nxpk= 20, iat= 958, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2= 960, 961, 960, 961,
&end
#
# 0 AMB 20-2:807 0 AMB 20-1:807 2.80 (# 807:20 Double Ambig)
&rst
ixpk= 807, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.15, r4= 6.90,
igr1= 965, 966, 967, 969, 970, 971, 965, 966, 967, 969,
970, 971, 865, 866,
igr2= 960, 961, 960, 961, 960, 961, 960, 961,
&end
#
# 0 AMB 20-2:808 0 AMB 20-1:808 4.50 (# 808:20 Double Ambig)
&rst
ixpk= 808, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1648,1649,1648,1649,1494,1495,
igr2=1657,1658,1503,1504,
&end
#
# 9 THR MG2 13 LYS HE- 4.50 (# 809:20 Unique 2.44, 4.90 A)
&rst
ixpk= 809, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 135, 136, 137,
igr2= 201, 202,
&end
#
# 0 AMB 20-2:810 0 AMB 20-1:810 4.50 (# 810:20 Double Ambig)
&rst
ixpk= 810, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 232, 233, 234, 236, 237, 238, 149, 150, 151, 216,
217, 218, 220, 221, 222,
igr2=1248,1249, 201, 202,
&end
#
# 0 AMB 20-2:811 0 AMB 20-1:811 2.80 (# 811:20 Double Ambig)
&rst
ixpk= 811, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 699, 700, 699, 700, 699, 700,
igr2= 702, 703, 702, 703, 702, 703,
&end
#
# 40 VAL MGY 0 AMB 20-1:812 4.50 (# 812:20 Single Ambig)
&rst
ixpk= 812, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 624, 625, 626, 628, 629, 630,
igr2= 702, 703, 702, 703,
&end
#
# 0 AMB 20-2:813 0 AMB 20-1:813 4.50 (# 813:20 Double Ambig)
&rst
ixpk= 813, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 693, 694, 693, 694, 693, 694, 696, 697, 696, 697,
igr2= 702, 703, 702, 703, 702, 703, 702, 703,
&end
#
# 0 AMB 20-2:815 0 AMB 20-1:815 3.50 (# 815:20 Double Ambig)
&rst
ixpk= 815, 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, 166, 167, 168, 170, 171, 172,
igr2=1027,1028,1027,1028,1027,1028,
&end
#
# 48 ALA MB 46 LEU HB+ 6.00 (# 816:20 Unique 3.13, 5.17 A)
&rst
ixpk= 816, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 759, 760, 761,
igr2= 726, 727,
&end
#
# 0 AMB 20-2:818 65 LEU HB- 2.80 (# 818:20 Single Ambig)
&rst
ixpk= 818, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
1037,1038, 166, 167, 168, 170, 171, 172,
igr2=1027,1028,
&end
#
# 0 AMB 20-2:819 0 AMB 20-1:819 4.50 (# 819:20 Double Ambig)
&rst
ixpk= 819, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 912, 913, 912, 913,
igr2= 960, 961, 960, 961,
&end
#
# 0 AMB 20-2:820 0 AMB 20-1:820 6.00 (# 820:20 Double Ambig)
&rst
ixpk= 820, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=12.24, r4=12.99,
igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
1037,1038,
igr2= 960, 961, 960, 961, 960, 961,
&end
#
# 21 VAL HB 78 TYR HB+ 6.00 (# 821:20 Unique 2.23, 3.34 A)
&rst
ixpk= 821, nxpk= 20, iat= 326, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1248,1249,
&end
#
# 0 AMB 20-2:822 0 AMB 20-1:822 3.50 (# 822:20 Double Ambig)
&rst
ixpk= 822, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 781,1246,
igr2= 783, 784,1248,1249,
&end
#
# 20 VAL MGY 50 PHE HB+ 3.50 (# 823:20 Unique 2.27, 4.55 A)
&rst
ixpk= 823, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 312, 313, 314, 316, 317, 318,
igr2= 783, 784,
&end
#
# 0 AMB 20-2:824 0 AMB 20-1:824 3.50 (# 824:20 Double Ambig)
&rst
ixpk= 824, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 781,1246,
igr2= 783, 784,1342,1343,
&end
#
# 29 ASP HA 29 ASP HB+ 3.50 (# 826:20 Unique 2.35, 2.73 A)
&rst
ixpk= 826, nxpk= 20, iat= 461, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 463, 464,
&end
#
# 29 ASP HA 29 ASP HB- 3.50 (# 827:20 Unique 2.35, 2.73 A)
&rst
ixpk= 827, nxpk= 20, iat= 461, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 463, 464,
&end
#
# 0 AMB 20-2:829 7 LEU HB- 2.80 (# 829:20 Single Ambig)
&rst
ixpk= 829, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.82, r4= 5.57,
igr1= 40, 41, 42, 44, 45, 46, 40, 41, 42, 44,
45, 46, 95,
igr2= 92, 93,
&end
#
# 0 AMB 20-2:830 0 AMB 20-1:830 4.50 (# 830:20 Double Ambig)
&rst
ixpk= 830, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1030,1275,1276,
igr2=1027,1028,1269,
&end
#
# 0 AMB 20-2:831 0 AMB 20-1:831 2.80 (# 831:20 Double Ambig)
&rst
ixpk= 831, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 40, 41, 42, 44, 45, 46, 40, 41, 42, 44,
45, 46, 95,
igr2= 92, 93, 92, 93, 92, 93, 941, 942,
&end
#
# 84 PHE HA 84 PHE HB+ 4.50 (# 833:20 Unique 2.48, 2.80 A)
&rst
ixpk= 833, nxpk= 20, iat=1340, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1342,1343,
&end
#
# 0 AMB 20-2:836 0 AMB 20-1:836 4.50 (# 836:20 Double Ambig)
&rst
ixpk= 836, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1275,1276, 312, 313, 314, 316, 317, 318,1232,
igr2=1342,1343, 783, 784,
&end
#
# 60 LEU HA 60 LEU HB+ 3.50 (# 837:20 Unique 2.32, 2.73 A)
&rst
ixpk= 837, nxpk= 20, iat= 939, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 941, 942,
&end
#
# 0 AMB 20-2:839 0 AMB 20-1:839 3.50 (# 839:20 Double Ambig)
&rst
ixpk= 839, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.78, r4= 9.53,
igr1= 95, 40, 41, 42, 44, 45, 46, 40, 41, 42,
44, 45, 46, 946, 947, 948, 950, 951, 952, 946,
947, 948, 950, 951, 952,
igr2= 941, 942, 941, 942, 941, 942, 941, 942, 941, 942,
&end
#
# 79 ILE QG2 79 ILE HB 2.80 (# 840:20 Unique 2.38, 2.67 A)
&rst
ixpk= 840, nxpk= 20, iat= -1,1269, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1271,1272,1273,
&end
#
# 79 ILE QD1 79 ILE HB 3.50 (# 841:20 Unique 2.43, 3.19 A)
&rst
ixpk= 841, nxpk= 20, iat= -1,1269, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1278,1279,1280,
&end
#
# 0 AMB 20-2:843 0 AMB 20-1:843 2.80 (# 843:20 Double Ambig)
&rst
ixpk= 843, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 939, 90,
igr2= 941, 942, 92, 93,
&end
#
# 0 AMB 20-2:845 0 AMB 20-1:845 3.50 (# 845:20 Double Ambig)
&rst
ixpk= 845, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 447, 448, 447, 448, 444, 445,
igr2= 450, 451, 450, 451, 450, 451,
&end
#
# 0 AMB 20-2:846 28 LYS HE- 3.50 (# 846:20 Single Ambig)
&rst
ixpk= 846, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 447, 448, 447, 448, 444, 445,
igr2= 450, 451,
&end
#
# 99 LEU MDY 99 LEU HB+ 4.50 (# 850:20 Unique 2.42, 3.36 A)
&rst
ixpk= 850, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1554,1555,1556,1558,1559,1560,
igr2=1549,1550,
&end
#
# 94 TYR HA 99 LEU HB- 6.00 (# 852:20 Unique 2.18, 2.87 A)
&rst
ixpk= 852, nxpk= 20, iat=1471, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1549,1550,
&end
#
# 99 LEU MDY 99 LEU HB- 4.50 (# 854:20 Unique 2.42, 3.36 A)
&rst
ixpk= 854, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1554,1555,1556,1558,1559,1560,
igr2=1549,1550,
&end
#
# 0 AMB 20-2:855 0 AMB 20-1:855 6.00 (# 855:20 Double Ambig)
&rst
ixpk= 855, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=13.98, r4=14.73,
igr1= 40, 41, 42, 44, 45, 46, 40, 41, 42, 44,
45, 46, 401, 402, 401, 402,
igr2=1083,1084,1083,1084,1083,1084,1178,1179,1178,1179,
&end
#
# 0 AMB 20-2:856 0 AMB 20-1:856 2.80 (# 856:20 Double Ambig)
&rst
ixpk= 856, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1025,1081,
igr2=1083,1084,1083,1084,1083,1084,
&end
#
# 0 AMB 20-2:857 0 AMB 20-1:857 3.50 (# 857:20 Double Ambig)
&rst
ixpk= 857, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.01, r4= 8.76,
igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
1037,1038, 166, 167, 168, 170, 171, 172,
igr2=1083,1084,1083,1084,1083,1084,1083,1084,
&end
#
# 56 LEU HA 56 LEU HB- 6.00 (# 858:20 Unique 2.50, 2.85 A)
&rst
ixpk= 858, nxpk= 20, iat= 876, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 878, 879,
&end
#
# 56 LEU HG 56 LEU HB- 3.50 (# 859:20 Unique 2.34, 2.58 A)
&rst
ixpk= 859, nxpk= 20, iat= 881, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 878, 879,
&end
#
# 99 LEU HA 99 LEU HB+ 6.00 (# 860:20 Unique 2.45, 2.78 A)
&rst
ixpk= 860, nxpk= 20, iat=1547, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1549,1550,
&end
#
# 94 TYR HA 99 LEU HB+ 6.00 (# 861:20 Unique 2.18, 2.87 A)
&rst
ixpk= 861, nxpk= 20, iat=1471, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1549,1550,
&end
#
# 0 AMB 20-2:862 0 AMB 20-1:862 4.50 (# 862:20 Double Ambig)
&rst
ixpk= 862, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1547, 672,
igr2=1549,1550, 674, 675,
&end
#
# 43 LEU MDX 43 LEU HB+ 4.50 (# 864:20 Unique 2.30, 3.30 A)
&rst
ixpk= 864, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 679, 680, 681, 683, 684, 685,
igr2= 674, 675,
&end
#
# 43 LEU HG 43 LEU HB- 6.00 (# 865:20 Unique 2.50, 2.82 A)
&rst
ixpk= 865, nxpk= 20, iat= 677, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 674, 675,
&end
#
# 43 LEU HA 43 LEU HB- 4.50 (# 866:20 Unique 2.52, 2.81 A)
&rst
ixpk= 866, nxpk= 20, iat= 672, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 674, 675,
&end
#
# 43 LEU MDY 43 LEU HB- 4.50 (# 868:20 Unique 2.30, 3.30 A)
&rst
ixpk= 868, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 679, 680, 681, 683, 684, 685,
igr2= 674, 675,
&end
#
# 43 LEU MDX 43 LEU HB- 4.50 (# 869:20 Unique 2.30, 3.30 A)
&rst
ixpk= 869, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 679, 680, 681, 683, 684, 685,
igr2= 674, 675,
&end
#
# 79 ILE QG2 80 ASP HB+ 4.50 (# 870:20 Unique 2.33, 4.51 A)
&rst
ixpk= 870, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1271,1272,1273,
igr2=1288,1289,
&end
#
# 80 ASP HA 80 ASP HB+ 4.50 (# 871:20 Unique 2.41, 2.77 A)
&rst
ixpk= 871, nxpk= 20, iat=1286, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1288,1289,
&end
#
# 106 ALA MB 80 ASP HB+ 6.00 (# 873:20 Unique 2.30, 3.93 A)
&rst
ixpk= 873, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1670,1671,1672,
igr2=1288,1289,
&end
#
# 75 PRO HA 74 PHE HB+ 4.50 (# 874:20 Unique 2.10, 3.01 A)
&rst
ixpk= 874, nxpk= 20, iat=1204, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1178,1179,
&end
#
# 80 ASP HA 80 ASP HB- 4.50 (# 876:20 Unique 2.41, 2.77 A)
&rst
ixpk= 876, nxpk= 20, iat=1286, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1288,1289,
&end
#
# 106 ALA MB 80 ASP HB- 3.50 (# 878:20 Unique 2.30, 3.93 A)
&rst
ixpk= 878, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1670,1671,1672,
igr2=1288,1289,
&end
#
# 79 ILE QG2 80 ASP HB- 4.50 (# 879:20 Unique 2.33, 4.51 A)
&rst
ixpk= 879, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1271,1272,1273,
igr2=1288,1289,
&end
#
# 43 LEU HG 43 LEU HB+ 6.00 (# 880:20 Unique 2.50, 2.82 A)
&rst
ixpk= 880, nxpk= 20, iat= 677, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 674, 675,
&end
#
# 12 ASP HA 12 ASP HB+ 3.50 (# 882:20 Unique 2.42, 2.75 A)
&rst
ixpk= 882, nxpk= 20, iat= 178, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 180, 181,
&end
#
# 0 AMB 20-2:885 0 AMB 20-1:885 4.50 (# 885:20 Double Ambig)
&rst
ixpk= 885, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 109, 159,
igr2= 161, 162, 161, 162,
&end
#
# 11 LEU MDY 11 LEU HB- 4.50 (# 886:20 Unique 2.36, 3.37 A)
&rst
ixpk= 886, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 166, 167, 168, 170, 171, 172,
igr2= 161, 162,
&end
#
# 0 AMB 20-2:887 11 LEU HB- 4.50 (# 887:20 Single Ambig)
&rst
ixpk= 887, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 109, 159,
igr2= 161, 162,
&end
#
# 58 ASN HA 58 ASN HB+ 4.50 (# 889:20 Unique 2.43, 2.74 A)
&rst
ixpk= 889, nxpk= 20, iat= 910, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 912, 913,
&end
#
# 88 ASP HA 0 AMB 20-1:890 3.50 (# 890:20 Single Ambig)
&rst
ixpk= 890, nxpk= 20, iat=1385, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2=1387,1388,1387,1388,
&end
#
# 0 AMB 20-2:892 0 AMB 20-1:892 4.50 (# 892:20 Double Ambig)
&rst
ixpk= 892, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 960, 961, 960, 961, 941, 942,
igr2= 912, 913, 912, 913, 912, 913,
&end
#
# 0 AMB 20-2:893 0 AMB 20-1:893 4.50 (# 893:20 Double Ambig)
&rst
ixpk= 893, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1= 965, 966, 967, 969, 970, 971, 965, 966, 967, 969,
970, 971,
igr2= 912, 913, 912, 913,
&end
#
# 58 ASN HA 58 ASN HB- 4.50 (# 894:20 Unique 2.43, 2.74 A)
&rst
ixpk= 894, nxpk= 20, iat= 910, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 912, 913,
&end
#
# 55 ILE QG2 23 PHE HB+ 6.00 (# 896:20 Unique 2.26, 3.87 A)
&rst
ixpk= 896, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 861, 862, 863,
igr2= 361, 362,
&end
#
# 55 ILE QG2 23 PHE HB- 6.00 (# 897:20 Unique 2.26, 3.87 A)
&rst
ixpk= 897, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 861, 862, 863,
igr2= 361, 362,
&end
#
# 0 AMB 20-2:898 23 PHE HB- 6.00 (# 898:20 Single Ambig)
&rst
ixpk= 898, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.19, r4=10.94,
igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
1037,1038,
igr2= 361, 362,
&end
#
# 30 PHE HA 30 PHE HB- 4.50 (# 902:20 Unique 2.37, 2.73 A)
&rst
ixpk= 902, nxpk= 20, iat= 473, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 475, 476,
&end
#
# 30 PHE HA 30 PHE HB+ 4.50 (# 903:20 Unique 2.37, 2.73 A)
&rst
ixpk= 903, nxpk= 20, iat= 473, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 475, 476,
&end
#
# 0 AMB 20-2:907 35 PHE HB- 6.00 (# 907:20 Single Ambig)
&rst
ixpk= 907, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
igr1=1376,1377, 509, 510,
igr2= 544, 545,
&end
#
# 89 ILE HG1- 89 ILE HB 6.00 (# 908:20 Unique 2.41, 2.77 A)
&rst
ixpk= 908, nxpk= 20, iat= -1,1399, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1405,1406,
&end
#
# 89 ILE HG1+ 89 ILE HB 4.50 (# 909:20 Unique 2.41, 2.77 A)
&rst
ixpk= 909, nxpk= 20, iat= -1,1399, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1405,1406,
&end
#
# 91 VAL HA 94 TYR HB- 6.00 (# 910:20 Unique 2.47, 3.23 A)
&rst
ixpk= 910, nxpk= 20, iat=1430, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1473,1474,
&end
#
# 85 GLY HA+ 89 ILE HB 6.00 (# 911:20 Unique 2.69, 4.77 A)
&rst
ixpk= 911, nxpk= 20, iat= -1,1399, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1360,1361,
&end
#
# 89 ILE QD1 89 ILE HB 4.50 (# 912:20 Unique 2.46, 3.20 A)
&rst
ixpk= 912, nxpk= 20, iat= -1,1399, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1408,1409,1410,
&end
#
# 89 ILE QG2 89 ILE HB 3.50 (# 913:20 Unique 2.42, 2.66 A)
&rst
ixpk= 913, nxpk= 20, iat= -1,1399, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1401,1402,1403,
&end
#
# 94 TYR HA 94 TYR HB- 4.50 (# 915:20 Unique 2.41, 2.74 A)
&rst
ixpk= 915, nxpk= 20, iat=1471, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1473,1474,
&end
#
# 42 ILE QG2 94 TYR HB- 6.00 (# 916:20 Unique 2.41, 3.80 A)
&rst
ixpk= 916, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 657, 658, 659,
igr2=1473,1474,
&end
#
# 99 LEU MDX 94 TYR HB- 4.50 (# 918:20 Unique 2.22, 5.10 A)
&rst
ixpk= 918, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1554,1555,1556,1558,1559,1560,
igr2=1473,1474,
&end
#
# 54 ASN HA 54 ASN HB- 6.00 (# 921:20 Unique 2.29, 2.64 A)
&rst
ixpk= 921, nxpk= 20, iat= 843, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 845, 846,
&end
#
# 42 ILE QD1 39 VAL HA 4.50 (# 923:20 Unique 2.45, 3.71 A)
&rst
ixpk= 923, nxpk= 20, iat= -1, 604, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 664, 665, 666,
&end
#
# 40 VAL MGX 40 VAL HA 2.80 (# 924:20 Unique 2.39, 3.36 A)
&rst
ixpk= 924, nxpk= 20, iat= -1, 620, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 624, 625, 626, 628, 629, 630,
&end
#
# 0 AMB 20-2:925 40 VAL HA 4.50 (# 925:20 Single Ambig)
&rst
ixpk= 925, nxpk= 20, iat= -1, 620, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 608, 609, 610, 612, 613, 614, 345, 342, 343,
&end
#
# 43 LEU MDX 40 VAL HA 6.00 (# 926:20 Unique 2.37, 4.99 A)
&rst
ixpk= 926, nxpk= 20, iat= -1, 620, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 679, 680, 681, 683, 684, 685,
&end
#
# 42 ILE QG2 42 ILE HB 3.50 (# 927:20 Unique 2.41, 2.65 A)
&rst
ixpk= 927, nxpk= 20, iat= -1, 655, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 657, 658, 659,
&end
#
# 39 VAL HA 42 ILE HB 4.50 (# 928:20 Unique 2.11, 2.34 A)
&rst
ixpk= 928, nxpk= 20, iat= 604, 655, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 42 ILE QD1 42 ILE HB 4.50 (# 929:20 Unique 2.46, 3.13 A)
&rst
ixpk= 929, nxpk= 20, iat= -1, 655, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 664, 665, 666,
&end
#
# 42 ILE QD1 91 VAL HA 3.50 (# 930:20 Unique 2.44, 3.21 A)
&rst
ixpk= 930, nxpk= 20, iat= -1,1430, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 664, 665, 666,
&end
#
# 91 VAL HB 91 VAL HA 4.50 (# 931:20 Unique 3.03, 3.03 A)
&rst
ixpk= 931, nxpk= 20, iat=1432,1430, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 91 VAL MGY 91 VAL HA 2.80 (# 932:20 Unique 2.43, 3.16 A)
&rst
ixpk= 932, nxpk= 20, iat= -1,1430, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1434,1435,1436,1438,1439,1440,
&end
#
# 42 ILE HB 39 VAL HA 4.50 (# 933:20 Unique 2.11, 2.34 A)
&rst
ixpk= 933, nxpk= 20, iat= 655, 604, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 39 VAL MGY 39 VAL HA 2.80 (# 934:20 Unique 2.29, 3.17 A)
&rst
ixpk= 934, nxpk= 20, iat= -1, 604, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 608, 609, 610, 612, 613, 614,
&end
#
# 40 VAL HB 40 VAL HA 6.00 (# 935:20 Unique 2.31, 2.67 A)
&rst
ixpk= 935, nxpk= 20, iat= 622, 620, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 47 ASN HA 47 ASN HB+ 2.80 (# 937:20 Unique 2.39, 2.72 A)
&rst
ixpk= 937, nxpk= 20, iat= 743, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 745, 746,
&end
#
# 47 ASN HA 47 ASN HB- 2.80 (# 938:20 Unique 2.39, 2.72 A)
&rst
ixpk= 938, nxpk= 20, iat= 743, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 745, 746,
&end
#
# 55 ILE QD1 55 ILE HB 4.50 (# 940:20 Unique 2.38, 3.24 A)
&rst
ixpk= 940, nxpk= 20, iat= -1, 859, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 868, 869, 870,
&end
#
# 55 ILE HA 55 ILE HB 3.50 (# 941:20 Unique 2.27, 2.45 A)
&rst
ixpk= 941, nxpk= 20, iat= 857, 859, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:942 55 ILE HB 2.80 (# 942:20 Single Ambig)
&rst
ixpk= 942, nxpk= 20, iat= -1, 859, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 965, 966, 967, 969, 970, 971, 861, 862, 863,
&end
#
# 0 AMB 20-2:943 0 AMB 20-1:943 3.50 (# 943:20 Double Ambig)
&rst
ixpk= 943, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 606,1617,
igr2= 604,1615,
&end
#
# 103 VAL MGX 103 VAL HA 3.50 (# 944:20 Unique 2.41, 3.15 A)
&rst
ixpk= 944, nxpk= 20, iat= -1,1615, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1619,1620,1621,1623,1624,1625,
&end
#
# 106 ALA MB 103 VAL HA 4.50 (# 946:20 Unique 2.30, 3.33 A)
&rst
ixpk= 946, nxpk= 20, iat= -1,1615, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1670,1671,1672,
&end
#
# 0 AMB 20-2:947 103 VAL HA 2.80 (# 947:20 Single Ambig)
&rst
ixpk= 947, nxpk= 20, iat= -1,1615, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1=1619,1620,1621,1623,1624,1625,1271,1272,1273,
&end
#
# 24 MET HA 24 MET HB+ 6.00 (# 949:20 Unique 2.34, 2.53 A)
&rst
ixpk= 949, nxpk= 20, iat= 379, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 381, 382,
&end
#
# 24 MET HA 24 MET HB- 6.00 (# 950:20 Unique 2.34, 2.53 A)
&rst
ixpk= 950, nxpk= 20, iat= 379, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 381, 382,
&end
#
# 52 SER HA 52 SER HB- 4.50 (# 952:20 Unique 2.39, 2.67 A)
&rst
ixpk= 952, nxpk= 20, iat= 816, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 818, 819,
&end
#
# 0 AMB 20-2:956 75 PRO HB- 3.50 (# 956:20 Single Ambig)
&rst
ixpk= 956, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 347, 348, 349, 351, 352, 353, 347, 348, 349, 351,
352, 353,
igr2=1201,1202,
&end
#
# 0 AMB 20-2:957 98 GLU HG- 4.50 (# 957:20 Single Ambig)
&rst
ixpk= 957, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1516,1517,1532,
igr2=1537,1538,
&end
#
# 0 AMB 20-2:958 0 AMB 20-1:958 2.80 (# 958:20 Double Ambig)
&rst
ixpk= 958, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.99, r4= 5.74,
igr1= 979, 980, 979, 980,1534,1535,1534,1535,
igr2= 982, 983,1537,1538,
&end
#
# 96 SER HB- 98 GLU HG- 3.50 (# 959:20 Unique 2.35, 3.44 A)
&rst
ixpk= 959, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1516,1517,
igr2=1537,1538,
&end
#
# 0 AMB 20-2:961 0 AMB 20-1:961 4.50 (# 961:20 Double Ambig)
&rst
ixpk= 961, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1066, 562,
igr2=1071,1072,1201,1202,
&end
#
# 57 GLU HA 0 AMB 20-1:962 3.50 (# 962:20 Single Ambig)
&rst
ixpk= 962, nxpk= 20, iat= 895, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 900, 901, 900, 901,
&end
#
# 0 AMB 20-2:963 0 AMB 20-1:963 2.80 (# 963:20 Double Ambig)
&rst
ixpk= 963, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1583,1446,1598,
igr2=1588,1589,1451,1452,1588,1589,1636,1637,
&end
#
# 0 AMB 20-2:964 0 AMB 20-1:964 2.80 (# 964:20 Double Ambig)
&rst
ixpk= 964, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.41, r4= 7.16,
igr1=1633,1634,1633,1634,1585,1586,1585,1586,1448,1449,
1448,1449,
igr2=1636,1637,1636,1637,1588,1589,1588,1589,1451,1452,
1451,1452,
&end
#
# 57 GLU HB- 0 AMB 20-1:965 2.80 (# 965:20 Single Ambig)
&rst
ixpk= 965, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 897, 898,
igr2= 900, 901, 900, 901,
&end
#
# 0 AMB 20-2:966 0 AMB 20-1:966 3.50 (# 966:20 Double Ambig)
&rst
ixpk= 966, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1583,1446,
igr2=1588,1589,1451,1452,
&end
#
# 67 GLU HA 67 GLU HG- 4.50 (# 968:20 Unique 2.39, 3.09 A)
&rst
ixpk= 968, nxpk= 20, iat=1066, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1071,1072,
&end
#
# 59 GLU HA 59 GLU HG+ 3.50 (# 969:20 Unique 2.36, 3.04 A)
&rst
ixpk= 969, nxpk= 20, iat= 924, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 929, 930,
&end
#
# 0 AMB 20-2:970 0 AMB 20-1:970 2.80 (# 970:20 Double Ambig)
&rst
ixpk= 970, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1307,1308, 926, 927, 926, 927,
igr2=1310,1311, 929, 930, 929, 930,
&end
#
# 82 GLU HA 82 GLU HG- 4.50 (# 971:20 Unique 2.38, 3.05 A)
&rst
ixpk= 971, nxpk= 20, iat=1305, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1310,1311,
&end
#
# 0 AMB 20-2:972 42 ILE HA 2.80 (# 972:20 Single Ambig)
&rst
ixpk= 972, nxpk= 20, iat= -1, 653, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
igr1= 661, 662, 657, 658, 659,
&end
#
# 42 ILE HG1- 42 ILE HA 3.50 (# 973:20 Unique 2.39, 2.55 A)
&rst
ixpk= 973, nxpk= 20, iat= -1, 653, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 661, 662,
&end
#
# 78 TYR HB+ 21 VAL HB 4.50 (# 974:20 Unique 2.23, 3.34 A)
&rst
ixpk= 974, nxpk= 20, iat= -1, 326, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1248,1249,
&end
#
# 21 VAL MGX 21 VAL HB 2.80 (# 975:20 Unique 2.41, 2.66 A)
&rst
ixpk= 975, nxpk= 20, iat= -1, 326, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 328, 329, 330, 332, 333, 334,
&end
#
# 21 VAL MGY 21 VAL HB 2.80 (# 976:20 Unique 2.41, 2.66 A)
&rst
ixpk= 976, nxpk= 20, iat= -1, 326, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 328, 329, 330, 332, 333, 334,
&end
#
# 53 VAL MGX 53 VAL HB 2.80 (# 977:20 Unique 2.43, 2.67 A)
&rst
ixpk= 977, nxpk= 20, iat= -1, 829, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 831, 832, 833, 835, 836, 837,
&end
#
# 53 VAL MGY 53 VAL HB 2.80 (# 978:20 Unique 2.43, 2.67 A)
&rst
ixpk= 978, nxpk= 20, iat= -1, 829, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 831, 832, 833, 835, 836, 837,
&end
#
# 46 LEU MDY 100 GLN HG+ 4.50 (# 980:20 Unique 2.23, 4.47 A)
&rst
ixpk= 980, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 731, 732, 733, 735, 736, 737,
igr2=1571,1572,
&end
#
# 100 GLN HA 100 GLN HG- 3.50 (# 981:20 Unique 2.43, 2.97 A)
&rst
ixpk= 981, nxpk= 20, iat=1566, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1571,1572,
&end
#
# 46 LEU MDX 100 GLN HG- 6.00 (# 982:20 Unique 2.23, 4.47 A)
&rst
ixpk= 982, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 731, 732, 733, 735, 736, 737,
igr2=1571,1572,
&end
#
# 46 LEU MDY 100 GLN HG- 3.50 (# 983:20 Unique 2.23, 4.47 A)
&rst
ixpk= 983, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 731, 732, 733, 735, 736, 737,
igr2=1571,1572,
&end
#
# 32 GLN HB- 0 AMB 20-1:984 2.80 (# 984:20 Single Ambig)
&rst
ixpk= 984, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 509, 510,
igr2= 512, 513, 512, 513,
&end
#
# 26 GLY HA- 0 AMB 20-1:985 6.00 (# 985:20 Single Ambig)
&rst
ixpk= 985, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
igr1= 418, 419,
igr2= 512, 513, 512, 513,
&end
#
# 23 PHE HA 53 VAL HB 4.50 (# 986:20 Unique 2.48, 2.77 A)
&rst
ixpk= 986, nxpk= 20, iat= 359, 829, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 41 GLN HA 41 GLN HG- 4.50 (# 987:20 Unique 2.46, 3.00 A)
&rst
ixpk= 987, nxpk= 20, iat= 636, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 641, 642,
&end
#
# 41 GLN HB+ 41 GLN HG- 2.80 (# 988:20 Unique 2.38, 2.73 A)
&rst
ixpk= 988, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 638, 639,
igr2= 641, 642,
&end
#
# 0 AMB 20-2:989 0 AMB 20-1:989 2.80 (# 989:20 Double Ambig)
&rst
ixpk= 989, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1= 418, 419, 418, 419, 507,
igr2= 512, 513, 512, 513, 512, 513,
&end
#
# 51 GLU HB- 51 GLU HG+ 4.50 (# 991:20 Unique 2.33, 2.60 A)
&rst
ixpk= 991, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 803, 804,
igr2= 806, 807,
&end
#
# 53 VAL MGX 51 GLU HG+ 6.00 (# 992:20 Unique 2.35, 6.02 A)
&rst
ixpk= 992, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 831, 832, 833, 835, 836, 837,
igr2= 806, 807,
&end
#
# 51 GLU HB- 51 GLU HG- 4.50 (# 994:20 Unique 2.33, 2.60 A)
&rst
ixpk= 994, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 803, 804,
igr2= 806, 807,
&end
#
# 33 CYS HA 33 CYS HB- 4.50 (# 995:20 Unique 2.39, 2.64 A)
&rst
ixpk= 995, nxpk= 20, iat= 524, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 526, 527,
&end
#
# 21 VAL MGY 18 HIS HB+ 4.50 (# 998:20 Unique 2.42, 5.51 A)
&rst
ixpk= 998, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 328, 329, 330, 332, 333, 334,
igr2= 271, 272,
&end
#
# 21 VAL MGY 18 HIS HB- 4.50 (# 1001:20 Unique 2.42, 5.51 A)
&rst
ixpk= 1001, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 328, 329, 330, 332, 333, 334,
igr2= 271, 272,
&end
#
# 102 GLN HA 102 GLN HG- 4.50 (# 1002:20 Unique 2.39, 3.24 A)
&rst
ixpk= 1002, nxpk= 20, iat=1598, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1603,1604,
&end
#
# 69 SER HA 69 SER HB- 4.50 (# 1004:20 Unique 2.34, 2.53 A)
&rst
ixpk= 1004, nxpk= 20, iat=1102, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1104,1105,
&end
#
# 102 GLN HA 102 GLN HG+ 6.00 (# 1006:20 Unique 2.39, 3.24 A)
&rst
ixpk= 1006, nxpk= 20, iat=1598, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1603,1604,
&end
#
# 0 AMB 20-2:1007 0 AMB 20-1:1007 2.80 (# 1007:20 Double Ambig)
&rst
ixpk= 1007, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1600,1601,1600,1601,
igr2=1603,1604,1603,1604,
&end
#
# 50 PHE HB+ 20 VAL HB 6.00 (# 1008:20 Unique 2.41, 4.32 A)
&rst
ixpk= 1008, nxpk= 20, iat= -1, 310, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 783, 784,
&end
#
# 0 AMB 20-2:1009 20 VAL HB 2.80 (# 1009:20 Single Ambig)
&rst
ixpk= 1009, nxpk= 20, iat= -1, 310, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 312, 313, 314, 316, 317, 318,1275,1276,
&end
#
# 50 PHE HA 20 VAL HB 4.50 (# 1010:20 Unique 2.27, 3.32 A)
&rst
ixpk= 1010, nxpk= 20, iat= 781, 310, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 20 VAL MGX 20 VAL HB 2.80 (# 1011:20 Unique 2.38, 2.65 A)
&rst
ixpk= 1011, nxpk= 20, iat= -1, 310, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 312, 313, 314, 316, 317, 318,
&end
#
# 0 AMB 20-2:1012 0 AMB 20-1:1012 2.80 (# 1012:20 Double Ambig)
&rst
ixpk= 1012, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 495, 496, 575, 576,
igr2= 578, 579, 578, 579, 578, 579,
&end
#
# 0 AMB 20-2:1013 0 AMB 20-1:1013 4.50 (# 1013:20 Double Ambig)
&rst
ixpk= 1013, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1= 495, 496, 495, 496, 498, 499, 498, 499,
igr2= 578, 579, 578, 579, 578, 579,
&end
#
# 37 GLN HA 0 AMB 20-1:1014 2.80 (# 1014:20 Single Ambig)
&rst
ixpk= 1014, nxpk= 20, iat= 573, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2= 578, 579, 578, 579,
&end
#
# 0 AMB 20-2:1015 0 AMB 20-1:1015 2.80 (# 1015:20 Double Ambig)
&rst
ixpk= 1015, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1003,1004,1003,1004,1003,1004,
igr2=1006,1007,1006,1007,1006,1007,
&end
#
# 19 LYS HA 19 LYS HB+ 4.50 (# 1016:20 Unique 2.33, 2.74 A)
&rst
ixpk= 1016, nxpk= 20, iat= 286, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 288, 289,
&end
#
# 63 GLN HA 0 AMB 20-1:1017 4.50 (# 1017:20 Single Ambig)
&rst
ixpk= 1017, nxpk= 20, iat=1001, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2=1006,1007,1006,1007,
&end
#
# 19 LYS HA 19 LYS HB- 4.50 (# 1018:20 Unique 2.33, 2.74 A)
&rst
ixpk= 1018, nxpk= 20, iat= 286, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 288, 289,
&end
#
# 0 AMB 20-2:1020 19 LYS HB- 3.50 (# 1020:20 Single Ambig)
&rst
ixpk= 1020, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 294, 295, 291, 292,
igr2= 288, 289,
&end
#
# 82 GLU HG+ 82 GLU HB+ 2.80 (# 1021:20 Unique 2.29, 2.71 A)
&rst
ixpk= 1021, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1310,1311,
igr2=1307,1308,
&end
#
# 82 GLU HA 82 GLU HB+ 4.50 (# 1023:20 Unique 2.37, 2.76 A)
&rst
ixpk= 1023, nxpk= 20, iat=1305, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1307,1308,
&end
#
# 82 GLU HG- 82 GLU HB+ 2.80 (# 1024:20 Unique 2.29, 2.71 A)
&rst
ixpk= 1024, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1310,1311,
igr2=1307,1308,
&end
#
# 82 GLU HG- 82 GLU HB- 2.80 (# 1026:20 Unique 2.29, 2.71 A)
&rst
ixpk= 1026, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1310,1311,
igr2=1307,1308,
&end
#
# 82 GLU HA 82 GLU HB- 4.50 (# 1027:20 Unique 2.37, 2.76 A)
&rst
ixpk= 1027, nxpk= 20, iat=1305, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1307,1308,
&end
#
# 82 GLU HG+ 82 GLU HB- 2.80 (# 1028:20 Unique 2.29, 2.71 A)
&rst
ixpk= 1028, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1310,1311,
igr2=1307,1308,
&end
#
# 0 AMB 20-2:1029 0 AMB 20-1:1029 3.50 (# 1029:20 Double Ambig)
&rst
ixpk= 1029, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 447, 448, 447, 448, 444, 445,
igr2= 441, 442, 441, 442, 441, 442,
&end
#
# 28 LYS HG+ 28 LYS HB- 4.50 (# 1030:20 Unique 2.38, 2.76 A)
&rst
ixpk= 1030, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 444, 445,
igr2= 441, 442,
&end
#
# 0 AMB 20-2:1031 28 LYS HB- 2.80 (# 1031:20 Single Ambig)
&rst
ixpk= 1031, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 447, 448, 447, 448, 444, 445,
igr2= 441, 442,
&end
#
# 73 THR HG1 72 PRO HB- 4.50 (# 1033:20 Unique 2.86, 4.92 A)
&rst
ixpk= 1033, nxpk= 20, iat=1170, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1153,1154,
&end
#
# 0 AMB 20-2:1035 0 AMB 20-1:1035 4.50 (# 1035:20 Double Ambig)
&rst
ixpk= 1035, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 573,1492,
igr2= 498, 499,1494,1495,
&end
#
# 41 GLN HA 0 AMB 20-1:1036 4.50 (# 1036:20 Single Ambig)
&rst
ixpk= 1036, nxpk= 20, iat= 636, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 693, 694, 693, 694,
&end
#
# 0 AMB 20-2:1037 0 AMB 20-1:1037 2.80 (# 1037:20 Double Ambig)
&rst
ixpk= 1037, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.13, r4= 7.88,
igr1= 388, 389, 390, 699, 700, 699, 700, 699, 700,1500,
1501,1500,1501,1654,1655,1654,1655,
igr2= 498, 499, 693, 694, 693, 694, 693, 694,1494,1495,
1494,1495,1648,1649,1648,1649,
&end
#
# 44 LYS HA 0 AMB 20-1:1038 2.80 (# 1038:20 Single Ambig)
&rst
ixpk= 1038, nxpk= 20, iat= 691, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2= 693, 694, 693, 694,
&end
#
# 0 AMB 20-2:1039 0 AMB 20-1:1039 2.80 (# 1039:20 Double Ambig)
&rst
ixpk= 1039, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1598,1646,1446,
igr2=1648,1649,1648,1649,1648,1649,1494,1495,
&end
#
# 0 AMB 20-2:1040 0 AMB 20-1:1040 6.00 (# 1040:20 Double Ambig)
&rst
ixpk= 1040, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=12.40, r4=13.15,
igr1= 40, 41, 42, 44, 45, 46, 40, 41, 42, 44,
45, 46, 38,
igr2= 111, 112, 111, 112, 111, 112,
&end
#
# 66 LYS HA 66 LYS HB+ 4.50 (# 1042:20 Unique 2.40, 2.73 A)
&rst
ixpk= 1042, nxpk= 20, iat=1044, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1046,1047,
&end
#
# 40 VAL MGY 28 LYS HB+ 6.00 (# 1043:20 Unique 3.39, 7.54 A)
&rst
ixpk= 1043, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 624, 625, 626, 628, 629, 630,
igr2= 441, 442,
&end
#
# 0 AMB 20-2:1045 0 AMB 20-1:1045 4.50 (# 1045:20 Double Ambig)
&rst
ixpk= 1045, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 401, 402, 401, 402, 881,
igr2= 398, 399, 398, 399, 398, 399,
&end
#
# 107 MET HA 107 MET HG- 6.00 (# 1047:20 Unique 2.36, 3.03 A)
&rst
ixpk= 1047, nxpk= 20, iat=1678, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1683,1684,
&end
#
# 0 AMB 20-2:1048 107 MET HG- 2.80 (# 1048:20 Single Ambig)
&rst
ixpk= 1048, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1680,1681, 769, 770,
igr2=1683,1684,
&end
#
# 76 GLN HA 0 AMB 20-1:1050 6.00 (# 1050:20 Single Ambig)
&rst
ixpk= 1050, nxpk= 20, iat=1210, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr2=1212,1213,1212,1213,
&end
#
# 71 TRP HA 71 TRP HB- 6.00 (# 1051:20 Unique 2.31, 2.73 A)
&rst
ixpk= 1051, nxpk= 20, iat=1124, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1126,1127,
&end
#
# 107 MET HA 107 MET HB+ 3.50 (# 1053:20 Unique 2.50, 2.79 A)
&rst
ixpk= 1053, nxpk= 20, iat=1678, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1680,1681,
&end
#
# 72 PRO HA 72 PRO HB- 4.50 (# 1055:20 Unique 2.28, 2.52 A)
&rst
ixpk= 1055, nxpk= 20, iat=1156, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1153,1154,
&end
#
# 31 PRO HA 31 PRO HB+ 4.50 (# 1056:20 Unique 2.30, 2.54 A)
&rst
ixpk= 1056, nxpk= 20, iat= 501, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 498, 499,
&end
#
# 40 VAL MGY 31 PRO HB+ 4.50 (# 1057:20 Unique 2.44, 5.10 A)
&rst
ixpk= 1057, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 624, 625, 626, 628, 629, 630,
igr2= 498, 499,
&end
#
# 0 AMB 20-2:1058 0 AMB 20-1:1058 4.50 (# 1058:20 Double Ambig)
&rst
ixpk= 1058, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 573, 109,1170,
igr2= 498, 499, 111, 112,1153,1154,
&end
#
# 88 ASP HA 91 VAL HB 4.50 (# 1059:20 Unique 2.52, 2.72 A)
&rst
ixpk= 1059, nxpk= 20, iat=1385,1432, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 91 VAL MGX 91 VAL HB 2.80 (# 1060:20 Unique 2.42, 2.67 A)
&rst
ixpk= 1060, nxpk= 20, iat= -1,1432, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1434,1435,1436,1438,1439,1440,
&end
#
# 14 VAL HA 14 VAL HB 2.80 (# 1061:20 Unique 2.34, 2.70 A)
&rst
ixpk= 1061, nxpk= 20, iat= 212, 214, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 20-2:1062 0 AMB 20-1:1062 2.80 (# 1062:20 Double Ambig)
&rst
ixpk= 1062, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.18, r4= 5.93,
igr1= 190, 65, 66, 65, 66,
igr2= 192, 193, 192, 193, 71, 72, 71, 72,
&end
#
# 13 LYS HG- 0 AMB 20-1:1063 3.50 (# 1063:20 Single Ambig)
&rst
ixpk= 1063, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 195, 196,
igr2= 192, 193, 192, 193,
&end
#
# 31 PRO HA 31 PRO HB- 4.50 (# 1064:20 Unique 2.30, 2.54 A)
&rst
ixpk= 1064, nxpk= 20, iat= 501, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 498, 499,
&end
#
# 5 PRO HA 5 PRO HB- 2.80 (# 1065:20 Unique 2.29, 2.58 A)
&rst
ixpk= 1065, nxpk= 20, iat= 74, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 71, 72,
&end
#
# 0 AMB 20-2:1066 5 PRO HB- 4.50 (# 1066:20 Single Ambig)
&rst
ixpk= 1066, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 65, 66, 65, 66,
igr2= 71, 72,
&end
#
# 5 PRO HG+ 5 PRO HB- 4.50 (# 1067:20 Unique 2.38, 2.63 A)
&rst
ixpk= 1067, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 68, 69,
igr2= 71, 72,
&end
#
# 5 PRO HA 5 PRO HB+ 4.50 (# 1069:20 Unique 2.29, 2.58 A)
&rst
ixpk= 1069, nxpk= 20, iat= 74, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 71, 72,
&end
#
# 51 GLU HA 51 GLU HB- 4.50 (# 1071:20 Unique 2.42, 2.77 A)
&rst
ixpk= 1071, nxpk= 20, iat= 801, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 803, 804,
&end
#
# 0 AMB 20-2:1072 0 AMB 20-1:1072 2.80 (# 1072:20 Double Ambig)
&rst
ixpk= 1072, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 269, 775,
igr2= 772, 773, 772, 773,
&end
#
# 40 VAL HA 40 VAL HB 6.00 (# 1074:20 Unique 2.31, 2.67 A)
&rst
ixpk= 1074, nxpk= 20, iat= 620, 622, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 20-2:1075 0 AMB 20-1:1075 2.80 (# 1075:20 Double Ambig)
&rst
ixpk= 1075, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 624, 625, 626, 628, 629, 630, 232, 233, 234, 236,
237, 238,
igr2= 622, 230,
&end
#
# 15 VAL HA 15 VAL HB 2.80 (# 1076:20 Unique 2.38, 2.70 A)
&rst
ixpk= 1076, nxpk= 20, iat= 228, 230, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 15 VAL MGY 15 VAL HB 2.80 (# 1077:20 Unique 2.37, 2.66 A)
&rst
ixpk= 1077, nxpk= 20, iat= -1, 230, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 232, 233, 234, 236, 237, 238,
&end
#
# 103 VAL MGX 103 VAL HB 2.80 (# 1078:20 Unique 2.41, 2.68 A)
&rst
ixpk= 1078, nxpk= 20, iat= -1,1617, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1619,1620,1621,1623,1624,1625,
&end
#
# 100 GLN HA 103 VAL HB 4.50 (# 1079:20 Unique 2.37, 2.85 A)
&rst
ixpk= 1079, nxpk= 20, iat=1566,1617, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:1080 0 AMB 20-1:1080 4.50 (# 1080:20 Double Ambig)
&rst
ixpk= 1080, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 604,1615,
igr2= 606,1617,
&end
#
# 0 AMB 20-2:1081 49 PRO HB- 3.50 (# 1081:20 Single Ambig)
&rst
ixpk= 1081, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 269, 775,
igr2= 772, 773,
&end
#
# 49 PRO HD- 49 PRO HB- 4.50 (# 1082:20 Unique 2.82, 3.70 A)
&rst
ixpk= 1082, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 766, 767,
igr2= 772, 773,
&end
#
# 51 GLU HA 51 GLU HB+ 6.00 (# 1084:20 Unique 2.42, 2.77 A)
&rst
ixpk= 1084, nxpk= 20, iat= 801, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 803, 804,
&end
#
# 51 GLU HG+ 51 GLU HB+ 3.50 (# 1085:20 Unique 2.33, 2.60 A)
&rst
ixpk= 1085, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 806, 807,
igr2= 803, 804,
&end
#
# 21 VAL MGY 51 GLU HB+ 6.00 (# 1087:20 Unique 2.17, 4.53 A)
&rst
ixpk= 1087, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 328, 329, 330, 332, 333, 334,
igr2= 803, 804,
&end
#
# 51 GLU HG+ 51 GLU HB- 3.50 (# 1088:20 Unique 2.33, 2.60 A)
&rst
ixpk= 1088, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 806, 807,
igr2= 803, 804,
&end
#
# 0 AMB 20-2:1090 0 AMB 20-1:1090 2.80 (# 1090:20 Double Ambig)
&rst
ixpk= 1090, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.82, r4= 5.57,
igr1= 608, 609, 610, 612, 613, 614, 624, 625, 626, 628,
629, 630,1552,
igr2= 606,1617,
&end
#
# 0 AMB 20-2:1091 0 AMB 20-1:1091 4.50 (# 1091:20 Double Ambig)
&rst
ixpk= 1091, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 960, 961, 960, 961, 960, 961,
igr2= 979, 980, 979, 980, 979, 980,
&end
#
# 57 GLU HA 57 GLU HB+ 4.50 (# 1093:20 Unique 2.35, 2.76 A)
&rst
ixpk= 1093, nxpk= 20, iat= 895, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 897, 898,
&end
#
# 93 ALA HA 0 AMB 20-1:1094 4.50 (# 1094:20 Single Ambig)
&rst
ixpk= 1094, nxpk= 20, iat=1461, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2=1534,1535,1534,1535,
&end
#
# 98 GLU HA 0 AMB 20-1:1095 2.80 (# 1095:20 Single Ambig)
&rst
ixpk= 1095, nxpk= 20, iat=1532, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2=1534,1535,1534,1535,
&end
#
# 0 AMB 20-2:1096 0 AMB 20-1:1096 2.80 (# 1096:20 Double Ambig)
&rst
ixpk= 1096, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1537,1538,1537,1538,
igr2=1534,1535,1534,1535,
&end
#
# 98 GLU HG- 0 AMB 20-1:1097 2.80 (# 1097:20 Single Ambig)
&rst
ixpk= 1097, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1537,1538,
igr2=1534,1535,1534,1535,
&end
#
# 93 ALA MB 0 AMB 20-1:1098 2.80 (# 1098:20 Single Ambig)
&rst
ixpk= 1098, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1463,1464,1465,
igr2=1534,1535,1534,1535,
&end
#
# 57 GLU HA 57 GLU HB- 6.00 (# 1099:20 Unique 2.35, 2.76 A)
&rst
ixpk= 1099, nxpk= 20, iat= 895, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 897, 898,
&end
#
# 67 GLU HA 0 AMB 20-1:1101 2.80 (# 1101:20 Single Ambig)
&rst
ixpk= 1101, nxpk= 20, iat=1066, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2=1068,1069,1068,1069,
&end
#
# 0 AMB 20-2:1102 0 AMB 20-1:1102 2.80 (# 1102:20 Double Ambig)
&rst
ixpk= 1102, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1071,1072,1071,1072,
igr2=1068,1069,1068,1069,
&end
#
# 0 AMB 20-2:1103 0 AMB 20-1:1103 6.00 (# 1103:20 Double Ambig)
&rst
ixpk= 1103, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=12.24, r4=12.99,
igr1= 40, 41, 42, 44, 45, 46, 40, 41, 42, 44,
45, 46,
igr2=1068,1069,1068,1069,1068,1069,
&end
#
# 0 AMB 20-2:1107 0 AMB 20-1:1107 3.50 (# 1107:20 Double Ambig)
&rst
ixpk= 1107, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 507, 418, 419,
igr2= 509, 510, 509, 510,
&end
#
# 0 AMB 20-2:1108 0 AMB 20-1:1108 2.80 (# 1108:20 Double Ambig)
&rst
ixpk= 1108, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 512, 513, 512, 513,
igr2= 509, 510, 509, 510,
&end
#
# 0 AMB 20-2:1110 32 GLN HB- 4.50 (# 1110:20 Single Ambig)
&rst
ixpk= 1110, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 507, 418, 419,
igr2= 509, 510,
&end
#
# 0 AMB 20-2:1112 32 GLN HB- 3.50 (# 1112:20 Single Ambig)
&rst
ixpk= 1112, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 512, 513, 512, 513,
igr2= 509, 510,
&end
#
# 0 AMB 20-2:1113 0 AMB 20-1:1113 2.80 (# 1113:20 Double Ambig)
&rst
ixpk= 1113, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 929, 930, 929, 930,
igr2= 926, 927, 926, 927,
&end
#
# 0 AMB 20-2:1114 0 AMB 20-1:1114 2.80 (# 1114:20 Double Ambig)
&rst
ixpk= 1114, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.81, r4= 6.56,
igr1= 693, 694, 693, 694, 693, 694, 696, 697, 696, 697,
igr2= 699, 700, 699, 700, 699, 700, 699, 700,
&end
#
# 89 ILE HB 89 ILE HG1- 6.00 (# 1115:20 Unique 2.41, 2.77 A)
&rst
ixpk= 1115, nxpk= 20, iat=1399, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1405,1406,
&end
#
# 89 ILE QG2 89 ILE HG1- 6.00 (# 1116:20 Unique 2.39, 3.55 A)
&rst
ixpk= 1116, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1401,1402,1403,
igr2=1405,1406,
&end
#
# 95 LYS HA 0 AMB 20-1:1117 6.00 (# 1117:20 Single Ambig)
&rst
ixpk= 1117, nxpk= 20, iat=1492, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr2=1500,1501,1500,1501,
&end
#
# 89 ILE HA 89 ILE HG1- 4.50 (# 1118:20 Unique 2.34, 2.80 A)
&rst
ixpk= 1118, nxpk= 20, iat=1397, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1405,1406,
&end
#
# 89 ILE QD1 89 ILE HG1- 3.50 (# 1120:20 Unique 2.37, 2.66 A)
&rst
ixpk= 1120, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1408,1409,1410,
igr2=1405,1406,
&end
#
# 89 ILE HB 89 ILE HG1+ 3.50 (# 1121:20 Unique 2.41, 2.77 A)
&rst
ixpk= 1121, nxpk= 20, iat=1399, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1405,1406,
&end
#
# 89 ILE QG2 89 ILE HG1+ 4.50 (# 1122:20 Unique 2.39, 3.55 A)
&rst
ixpk= 1122, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1401,1402,1403,
igr2=1405,1406,
&end
#
# 89 ILE HA 89 ILE HG1+ 4.50 (# 1123:20 Unique 2.34, 2.80 A)
&rst
ixpk= 1123, nxpk= 20, iat=1397, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1405,1406,
&end
#
# 89 ILE QD1 89 ILE HG1+ 3.50 (# 1125:20 Unique 2.37, 2.66 A)
&rst
ixpk= 1125, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1408,1409,1410,
igr2=1405,1406,
&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= 4.61, r4= 5.36,
igr1= 924,1583,
igr2= 985, 986, 985, 986,1585,1586,1585,1586,1633,1634,
&end
#
# 91 VAL MGX 0 AMB 20-1:1127 4.50 (# 1127:20 Single Ambig)
&rst
ixpk= 1127, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1434,1435,1436,1438,1439,1440,
igr2=1500,1501,1500,1501,
&end
#
# 0 AMB 20-2:1128 0 AMB 20-1:1128 2.80 (# 1128:20 Double Ambig)
&rst
ixpk= 1128, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,
igr1=1657,1658,1657,1658,1503,1504,1503,1504,
igr2=1654,1655,1654,1655,1500,1501,1500,1501,
&end
#
# 0 AMB 20-2:1129 0 AMB 20-1:1129 2.80 (# 1129:20 Double Ambig)
&rst
ixpk= 1129, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 114, 115,1497,1498,1497,1498,
igr2= 117, 118,1500,1501,1500,1501,
&end
#
# 0 AMB 20-2:1130 0 AMB 20-1:1130 4.50 (# 1130:20 Double Ambig)
&rst
ixpk= 1130, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1646,1446,1598,
igr2=1654,1655,1654,1655,1500,1501,1500,1501,1654,1655,
&end
#
# 42 ILE HA 42 ILE HG1- 4.50 (# 1131:20 Unique 2.39, 2.55 A)
&rst
ixpk= 1131, nxpk= 20, iat= 653, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 661, 662,
&end
#
# 104 GLU HA 104 GLU HB- 2.80 (# 1132:20 Unique 2.46, 2.77 A)
&rst
ixpk= 1132, nxpk= 20, iat=1631, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1633,1634,
&end
#
# 8 LYS HE+ 8 LYS HD+ 2.80 (# 1133:20 Unique 2.36, 2.77 A)
&rst
ixpk= 1133, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 120, 121,
igr2= 117, 118,
&end
#
# 8 LYS HG+ 8 LYS HD+ 2.80 (# 1134:20 Unique 2.36, 2.66 A)
&rst
ixpk= 1134, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 114, 115,
igr2= 117, 118,
&end
#
# 13 LYS HA 0 AMB 20-1:1135 6.00 (# 1135:20 Single Ambig)
&rst
ixpk= 1135, nxpk= 20, iat= 190, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr2= 198, 199, 198, 199,
&end
#
# 0 AMB 20-2:1136 0 AMB 20-1:1136 2.80 (# 1136:20 Double Ambig)
&rst
ixpk= 1136, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.99, r4= 5.74,
igr1=1055,1056, 201, 202,
igr2=1052,1053,1052,1053, 198, 199, 198, 199,
&end
#
# 42 ILE QD1 42 ILE HG1- 3.50 (# 1137:20 Unique 2.38, 2.66 A)
&rst
ixpk= 1137, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 664, 665, 666,
igr2= 661, 662,
&end
#
# 42 ILE QD1 42 ILE HG1+ 4.50 (# 1139:20 Unique 2.38, 2.66 A)
&rst
ixpk= 1139, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 664, 665, 666,
igr2= 661, 662,
&end
#
# 42 ILE HA 42 ILE HG1+ 6.00 (# 1140:20 Unique 2.39, 2.55 A)
&rst
ixpk= 1140, nxpk= 20, iat= 653, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 661, 662,
&end
#
# 0 AMB 20-2:1142 0 AMB 20-1:1142 2.80 (# 1142:20 Double Ambig)
&rst
ixpk= 1142, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.99, r4= 5.74,
igr1= 195, 196,1049,1050,
igr2= 198, 199, 198, 199,1052,1053,1052,1053,
&end
#
# 19 LYS HA 19 LYS HD+ 4.50 (# 1143:20 Unique 2.18, 3.72 A)
&rst
ixpk= 1143, nxpk= 20, iat= 286, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 294, 295,
&end
#
# 0 AMB 20-2:1144 0 AMB 20-1:1144 3.50 (# 1144:20 Double Ambig)
&rst
ixpk= 1144, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 297, 298, 297, 298,
igr2= 294, 295, 294, 295,
&end
#
# 0 AMB 20-2:1145 0 AMB 20-1:1145 2.80 (# 1145:20 Double Ambig)
&rst
ixpk= 1145, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 288, 289, 291, 292,
igr2= 294, 295, 294, 295,
&end
#
# 19 LYS HA 19 LYS HD- 4.50 (# 1147:20 Unique 2.18, 3.72 A)
&rst
ixpk= 1147, nxpk= 20, iat= 286, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 294, 295,
&end
#
# 0 AMB 20-2:1148 19 LYS HD- 4.50 (# 1148:20 Single Ambig)
&rst
ixpk= 1148, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 297, 298, 297, 298,
igr2= 294, 295,
&end
#
# 34 GLY HA+ 37 GLN HB+ 4.50 (# 1150:20 Unique 2.28, 5.04 A)
&rst
ixpk= 1150, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 535, 536,
igr2= 575, 576,
&end
#
# 78 TYR HA 83 PHE HA 4.50 (# 1153:20 Unique 2.04, 2.24 A)
&rst
ixpk= 1153, nxpk= 20, iat=1246,1320, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 63 GLN HA 63 GLN HB+ 4.50 (# 1154:20 Unique 2.36, 2.76 A)
&rst
ixpk= 1154, nxpk= 20, iat=1001, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1003,1004,
&end
#
# 0 AMB 20-2:1155 0 AMB 20-1:1155 2.80 (# 1155:20 Double Ambig)
&rst
ixpk= 1155, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1006,1007,1006,1007,
igr2=1003,1004,1003,1004,
&end
#
# 0 AMB 20-2:1156 0 AMB 20-1:1156 4.50 (# 1156:20 Double Ambig)
&rst
ixpk= 1156, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1001, 74,
igr2=1003,1004, 68, 69,
&end
#
# 22 LEU HB+ 22 LEU HG 3.50 (# 1157:20 Unique 2.29, 2.40 A)
&rst
ixpk= 1157, nxpk= 20, iat= -1, 345, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 342, 343,
&end
#
# 40 VAL MGX 22 LEU HG 2.80 (# 1159:20 Unique 2.28, 4.51 A)
&rst
ixpk= 1159, nxpk= 20, iat= -1, 345, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 624, 625, 626, 628, 629, 630,
&end
#
# 43 LEU MDX 22 LEU HG 4.50 (# 1160:20 Unique 3.42, 6.48 A)
&rst
ixpk= 1160, nxpk= 20, iat= -1, 345, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 679, 680, 681, 683, 684, 685,
&end
#
# 94 TYR HA 99 LEU MDX 4.50 (# 1161:20 Unique 3.19, 5.14 A)
&rst
ixpk= 1161, nxpk= 20, iat=1471, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1554,1555,1556,1558,1559,1560,
&end
#
# 0 AMB 20-2:1162 99 LEU MDX 6.00 (# 1162:20 Single Ambig)
&rst
ixpk= 1162, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1547, 672,
igr2=1554,1555,1556,1558,1559,1560,
&end
#
# 94 TYR HB- 99 LEU MDX 4.50 (# 1163:20 Unique 2.22, 5.10 A)
&rst
ixpk= 1163, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1473,1474,
igr2=1554,1555,1556,1558,1559,1560,
&end
#
# 0 AMB 20-2:1164 99 LEU MDX 2.80 (# 1164:20 Single Ambig)
&rst
ixpk= 1164, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1552,1549,1550,
igr2=1554,1555,1556,1558,1559,1560,
&end
#
# 90 THR MG2 99 LEU MDX 2.80 (# 1165:20 Unique 2.25, 4.05 A)
&rst
ixpk= 1165, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1420,1421,1422,
igr2=1554,1555,1556,1558,1559,1560,
&end
#
# 77 LEU MDX 99 LEU MDX 3.50 (# 1166:20 Unique 2.35, 5.52 A)
&rst
ixpk= 1166, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1234,1235,1236,1238,1239,1240,
igr2=1554,1555,1556,1558,1559,1560,
&end
#
# 43 LEU MDY 99 LEU MDX 4.50 (# 1167:20 Unique 2.30, 5.34 A)
&rst
ixpk= 1167, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 679, 680, 681, 683, 684, 685,
igr2=1554,1555,1556,1558,1559,1560,
&end
#
# 108 CYS HA 0 AMB 20-1:1169 2.80 (# 1169:20 Single Ambig)
&rst
ixpk= 1169, nxpk= 20, iat=1695, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2=1697,1698,1697,1698,
&end
#
# 0 AMB 20-2:1170 0 AMB 20-1:1170 2.80 (# 1170:20 Double Ambig)
&rst
ixpk= 1170, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1= 636, 65, 66, 65, 66,
igr2= 638, 639, 68, 69, 68, 69,
&end
#
# 0 AMB 20-2:1171 0 AMB 20-1:1171 2.80 (# 1171:20 Double Ambig)
&rst
ixpk= 1171, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.61, r4= 5.36,
igr1= 636, 65, 66, 65, 66,
igr2= 638, 639, 68, 69,
&end
#
# 0 AMB 20-2:1172 63 GLN HB- 2.80 (# 1172:20 Single Ambig)
&rst
ixpk= 1172, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1006,1007,1006,1007,
igr2=1003,1004,
&end
#
# 109 SER HA 0 AMB 20-1:1173 8.00 (# 1173:20 Single Ambig)
&rst
ixpk= 1173, nxpk= 20, iat=1706, -1, r1= 0.00, r2= 1.80, r3=10.08, r4=10.83,
igr2=1600,1601,1600,1601,
&end
#
# 0 AMB 20-2:1174 0 AMB 20-1:1174 2.80 (# 1174:20 Double Ambig)
&rst
ixpk= 1174, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1603,1604,1603,1604,
igr2=1600,1601,1600,1601,
&end
#
# 102 GLN HA 0 AMB 20-1:1175 3.50 (# 1175:20 Single Ambig)
&rst
ixpk= 1175, nxpk= 20, iat=1598, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2=1600,1601,1600,1601,
&end
#
# 79 ILE QD1 0 AMB 20-1:1176 4.50 (# 1176:20 Single Ambig)
&rst
ixpk= 1176, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1278,1279,1280,
igr2=1600,1601,1600,1601,
&end
#
# 0 AMB 20-2:1177 0 AMB 20-1:1177 3.50 (# 1177:20 Double Ambig)
&rst
ixpk= 1177, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.38, r4= 8.13,
igr1=1619,1620,1621,1623,1624,1625,1271,1272,1273,1275,
1276,
igr2=1600,1601,1600,1601,1600,1601,1600,1601,
&end
#
# 102 GLN HA 0 AMB 20-1:1178 3.50 (# 1178:20 Single Ambig)
&rst
ixpk= 1178, nxpk= 20, iat=1598, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2=1600,1601,1600,1601,
&end
#
# 0 AMB 20-2:1179 0 AMB 20-1:1179 6.00 (# 1179:20 Double Ambig)
&rst
ixpk= 1179, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1027,1028,1307,1308,
igr2=1030,1275,1276,
&end
#
# 0 AMB 20-2:1180 65 LEU HG 2.80 (# 1180:20 Single Ambig)
&rst
ixpk= 1180, nxpk= 20, iat= -1,1030, 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
#
# 0 AMB 20-2:1181 0 AMB 20-1:1181 3.50 (# 1181:20 Double Ambig)
&rst
ixpk= 1181, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1027,1028,1269,
igr2=1030,1275,1276,
&end
#
# 0 AMB 20-2:1182 99 LEU MDX 3.50 (# 1182:20 Single Ambig)
&rst
ixpk= 1182, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1549,1550,1463,1464,1465,
igr2=1554,1555,1556,1558,1559,1560,
&end
#
# 0 AMB 20-2:1183 0 AMB 20-1:1183 6.00 (# 1183:20 Double Ambig)
&rst
ixpk= 1183, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
igr1= 54, 52,
igr2= 68, 69, 68, 69,
&end
#
# 31 PRO HD+ 31 PRO HG- 3.50 (# 1185:20 Unique 2.32, 2.61 A)
&rst
ixpk= 1185, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 492, 493,
igr2= 495, 496,
&end
#
# 102 GLN HG- 0 AMB 20-1:1186 2.80 (# 1186:20 Single Ambig)
&rst
ixpk= 1186, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1603,1604,
igr2=1600,1601,1600,1601,
&end
#
# 31 PRO HD+ 31 PRO HG+ 4.50 (# 1187:20 Unique 2.32, 2.61 A)
&rst
ixpk= 1187, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 492, 493,
igr2= 495, 496,
&end
#
# 79 ILE HA 79 ILE HG1+ 4.50 (# 1190:20 Unique 2.68, 3.25 A)
&rst
ixpk= 1190, nxpk= 20, iat=1267, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1275,1276,
&end
#
# 79 ILE QD1 79 ILE HG1+ 3.50 (# 1191:20 Unique 2.35, 2.65 A)
&rst
ixpk= 1191, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1278,1279,1280,
igr2=1275,1276,
&end
#
# 49 PRO HD- 49 PRO HG+ 3.50 (# 1192:20 Unique 2.30, 2.60 A)
&rst
ixpk= 1192, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 766, 767,
igr2= 769, 770,
&end
#
# 0 AMB 20-2:1193 0 AMB 20-1:1193 6.00 (# 1193:20 Double Ambig)
&rst
ixpk= 1193, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
igr1= 269, 775,
igr2= 769, 770, 769, 770,
&end
#
# 49 PRO HD+ 49 PRO HG- 3.50 (# 1194:20 Unique 2.30, 2.60 A)
&rst
ixpk= 1194, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 766, 767,
igr2= 769, 770,
&end
#
# 0 AMB 20-2:1195 0 AMB 20-1:1195 4.50 (# 1195:20 Double Ambig)
&rst
ixpk= 1195, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 269, 501, 775,
igr2= 769, 770, 495, 496,
&end
#
# 0 AMB 20-2:1196 0 AMB 20-1:1196 2.80 (# 1196:20 Double Ambig)
&rst
ixpk= 1196, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 766, 767,1566,
igr2= 769, 770,1568,1569,
&end
#
# 0 AMB 20-2:1197 0 AMB 20-1:1197 3.50 (# 1197:20 Double Ambig)
&rst
ixpk= 1197, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1566,1547,
igr2=1568,1569,1600,1601,1600,1601,
&end
#
# 0 AMB 20-2:1201 0 AMB 20-1:1201 2.80 (# 1201:20 Double Ambig)
&rst
ixpk= 1201, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 883, 884, 885, 887, 888, 889, 965, 966, 967, 969,
970, 971,
igr2= 404, 405, 963,
&end
#
# 90 THR MG2 77 LEU MDX 3.50 (# 1202:20 Unique 2.19, 4.80 A)
&rst
ixpk= 1202, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1420,1421,1422,
igr2=1234,1235,1236,1238,1239,1240,
&end
#
# 0 AMB 20-2:1203 77 LEU MDX 4.50 (# 1203:20 Single Ambig)
&rst
ixpk= 1203, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.42, r4=10.17,
igr1= 312, 313, 314, 316, 317, 318, 608, 609, 610, 612,
613, 614, 342, 343,
igr2=1234,1235,1236,1238,1239,1240,
&end
#
# 43 LEU MDY 77 LEU MDX 4.50 (# 1204:20 Unique 2.14, 4.42 A)
&rst
ixpk= 1204, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 679, 680, 681, 683, 684, 685,
igr2=1234,1235,1236,1238,1239,1240,
&end
#
# 79 ILE QD1 77 LEU MDX 3.50 (# 1205:20 Unique 2.30, 5.12 A)
&rst
ixpk= 1205, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1278,1279,1280,
igr2=1234,1235,1236,1238,1239,1240,
&end
#
# 0 AMB 20-2:1206 77 LEU MDX 4.50 (# 1206:20 Single Ambig)
&rst
ixpk= 1206, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1229,1230, 606,
igr2=1234,1235,1236,1238,1239,1240,
&end
#
# 0 AMB 20-2:1208 77 LEU MDX 2.80 (# 1208:20 Single Ambig)
&rst
ixpk= 1208, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
igr1= 312, 313, 314, 316, 317, 318,1271,1272,1273,1275,
1276,1232,
igr2=1234,1235,1236,1238,1239,1240,
&end
#
# 99 LEU MDY 77 LEU MDX 3.50 (# 1209:20 Unique 2.35, 5.52 A)
&rst
ixpk= 1209, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1554,1555,1556,1558,1559,1560,
igr2=1234,1235,1236,1238,1239,1240,
&end
#
# 0 AMB 20-2:1210 60 LEU HG 3.50 (# 1210:20 Single Ambig)
&rst
ixpk= 1210, nxpk= 20, iat= -1, 944, r1= 0.00, r2= 1.80, r3= 5.37, r4= 6.12,
igr1= 946, 947, 948, 950, 951, 952, 946, 947, 948, 950,
951, 952, 95,
&end
#
# 0 AMB 20-2:1211 60 LEU HG 6.00 (# 1211:20 Single Ambig)
&rst
ixpk= 1211, nxpk= 20, iat= -1, 944, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 939, 90,
&end
#
# 0 AMB 20-2:1212 61 LEU HG 6.00 (# 1212:20 Single Ambig)
&rst
ixpk= 1212, nxpk= 20, iat= -1, 963, r1= 0.00, r2= 1.80, r3= 7.85, r4= 8.60,
igr1= 829, 92, 93, 35, 36,
&end
#
# 0 AMB 20-2:1213 0 AMB 20-1:1213 2.80 (# 1213:20 Double Ambig)
&rst
ixpk= 1213, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.75, r4= 7.50,
igr1= 97, 98, 99, 101, 102, 103, 97, 98, 99, 101,
102, 103, 883, 884, 885, 887, 888, 889, 401, 402,
401, 402, 831, 832, 833, 835, 836, 837,
igr2= 963, 404, 405, 404, 405, 404, 405,
&end
#
# 0 AMB 20-2:1214 61 LEU HG 4.50 (# 1214:20 Single Ambig)
&rst
ixpk= 1214, nxpk= 20, iat= -1, 963, 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, 166, 167, 168, 170, 171, 172,
&end
#
# 56 LEU HB+ 25 LYS HD- 4.50 (# 1215:20 Unique 3.60, 5.69 A)
&rst
ixpk= 1215, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 878, 879,
igr2= 404, 405,
&end
#
# 0 AMB 20-2:1216 25 LYS HD- 6.00 (# 1216:20 Single Ambig)
&rst
ixpk= 1216, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
igr1= 381, 382,1198,1199,
igr2= 404, 405,
&end
#
# 0 AMB 20-2:1217 3 LEU HG 3.50 (# 1217:20 Single Ambig)
&rst
ixpk= 1217, nxpk= 20, iat= -1, 38, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1= 114, 115, 25, 26, 27,
&end
#
# 0 AMB 20-2:1220 57 GLU HA 2.80 (# 1220:20 Single Ambig)
&rst
ixpk= 1220, nxpk= 20, iat= -1, 895, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 897, 898, 900, 901, 900, 901,
&end
#
# 57 GLU HB- 57 GLU HA 4.50 (# 1221:20 Unique 2.35, 2.76 A)
&rst
ixpk= 1221, nxpk= 20, iat= -1, 895, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 897, 898,
&end
#
# 107 MET HG- 107 MET HA 4.50 (# 1222:20 Unique 2.36, 3.03 A)
&rst
ixpk= 1222, nxpk= 20, iat= -1,1678, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1683,1684,
&end
#
# 107 MET HB+ 107 MET HA 2.80 (# 1223:20 Unique 2.50, 2.79 A)
&rst
ixpk= 1223, nxpk= 20, iat= -1,1678, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1680,1681,
&end
#
# 56 LEU HB- 56 LEU HA 4.50 (# 1224:20 Unique 2.50, 2.85 A)
&rst
ixpk= 1224, nxpk= 20, iat= -1, 876, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 878, 879,
&end
#
# 0 AMB 20-2:1225 56 LEU HA 2.80 (# 1225:20 Single Ambig)
&rst
ixpk= 1225, nxpk= 20, iat= -1, 876, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 878, 879, 960, 961,
&end
#
# 56 LEU MDY 56 LEU HA 3.50 (# 1226:20 Unique 2.15, 3.49 A)
&rst
ixpk= 1226, nxpk= 20, iat= -1, 876, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 883, 884, 885, 887, 888, 889,
&end
#
# 32 GLN HB+ 32 GLN HA 2.80 (# 1227:20 Unique 2.30, 2.73 A)
&rst
ixpk= 1227, nxpk= 20, iat= -1, 507, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 509, 510,
&end
#
# 0 AMB 20-2:1228 32 GLN HA 3.50 (# 1228:20 Single Ambig)
&rst
ixpk= 1228, nxpk= 20, iat= -1, 507, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 512, 513, 512, 513,
&end
#
# 18 HIS HB+ 18 HIS HA 4.50 (# 1229:20 Unique 2.42, 2.76 A)
&rst
ixpk= 1229, nxpk= 20, iat= -1, 269, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 271, 272,
&end
#
# 32 GLN HB- 32 GLN HA 3.50 (# 1230:20 Unique 2.30, 2.73 A)
&rst
ixpk= 1230, nxpk= 20, iat= -1, 507, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 509, 510,
&end
#
# 3 LEU HB- 3 LEU HA 4.50 (# 1231:20 Unique 2.32, 2.73 A)
&rst
ixpk= 1231, nxpk= 20, iat= -1, 33, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 35, 36,
&end
#
# 0 AMB 20-2:1232 3 LEU HA 4.50 (# 1232:20 Single Ambig)
&rst
ixpk= 1232, nxpk= 20, iat= -1, 33, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 40, 41, 42, 44, 45, 46, 40, 41, 42, 44,
45, 46,
&end
#
# 29 ASP HB+ 29 ASP HA 2.80 (# 1233:20 Unique 2.35, 2.73 A)
&rst
ixpk= 1233, nxpk= 20, iat= -1, 461, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 463, 464,
&end
#
# 46 LEU HB- 46 LEU HA 3.50 (# 1234:20 Unique 2.42, 2.77 A)
&rst
ixpk= 1234, nxpk= 20, iat= -1, 724, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 726, 727,
&end
#
# 46 LEU MDY 46 LEU HA 2.80 (# 1235:20 Unique 2.09, 3.86 A)
&rst
ixpk= 1235, nxpk= 20, iat= -1, 724, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 731, 732, 733, 735, 736, 737,
&end
#
# 6 ALA MB 6 ALA HA 2.80 (# 1236:20 Unique 2.41, 2.66 A)
&rst
ixpk= 1236, nxpk= 20, iat= -1, 80, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 82, 83, 84,
&end
#
# 80 ASP HB+ 80 ASP HA 4.50 (# 1237:20 Unique 2.41, 2.77 A)
&rst
ixpk= 1237, nxpk= 20, iat= -1,1286, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1288,1289,
&end
#
# 0 AMB 20-2:1238 3 LEU HA 4.50 (# 1238:20 Single Ambig)
&rst
ixpk= 1238, nxpk= 20, iat= -1, 33, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 92, 93, 35, 36,
&end
#
# 46 LEU HG 46 LEU HA 6.00 (# 1239:20 Unique 2.65, 3.26 A)
&rst
ixpk= 1239, nxpk= 20, iat= 729, 724, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 46 LEU HB+ 46 LEU HA 4.50 (# 1240:20 Unique 2.42, 2.77 A)
&rst
ixpk= 1240, nxpk= 20, iat= -1, 724, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 726, 727,
&end
#
# 80 ASP HB- 80 ASP HA 4.50 (# 1241:20 Unique 2.41, 2.77 A)
&rst
ixpk= 1241, nxpk= 20, iat= -1,1286, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1288,1289,
&end
#
# 47 ASN HB+ 47 ASN HA 2.80 (# 1242:20 Unique 2.39, 2.72 A)
&rst
ixpk= 1242, nxpk= 20, iat= -1, 743, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 745, 746,
&end
#
# 47 ASN HB- 47 ASN HA 2.80 (# 1243:20 Unique 2.39, 2.72 A)
&rst
ixpk= 1243, nxpk= 20, iat= -1, 743, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 745, 746,
&end
#
# 106 ALA MB 106 ALA HA 2.80 (# 1244:20 Unique 2.44, 2.66 A)
&rst
ixpk= 1244, nxpk= 20, iat= -1,1668, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1670,1671,1672,
&end
#
# 93 ALA MB 93 ALA HA 3.50 (# 1246:20 Unique 2.44, 2.66 A)
&rst
ixpk= 1246, nxpk= 20, iat= -1,1461, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1463,1464,1465,
&end
#
# 51 GLU HB- 51 GLU HA 3.50 (# 1247:20 Unique 2.42, 2.77 A)
&rst
ixpk= 1247, nxpk= 20, iat= -1, 801, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 803, 804,
&end
#
# 51 GLU HB+ 51 GLU HA 3.50 (# 1248:20 Unique 2.42, 2.77 A)
&rst
ixpk= 1248, nxpk= 20, iat= -1, 801, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 803, 804,
&end
#
# 2 ALA MB 2 ALA HA 2.80 (# 1250:20 Unique 2.43, 2.67 A)
&rst
ixpk= 1250, nxpk= 20, iat= -1, 23, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 25, 26, 27,
&end
#
# 35 PHE HB- 75 PRO HD+ 6.00 (# 1251:20 Unique 2.92, 6.42 A)
&rst
ixpk= 1251, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 544, 545,
igr2=1195,1196,
&end
#
# 32 GLN HB+ 75 PRO HD+ 6.00 (# 1252:20 Unique 4.78, 6.80 A)
&rst
ixpk= 1252, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 509, 510,
igr2=1195,1196,
&end
#
# 48 ALA HA 49 PRO HD+ 2.80 (# 1254:20 Unique 2.19, 2.35 A)
&rst
ixpk= 1254, nxpk= 20, iat= 757, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 766, 767,
&end
#
# 0 AMB 20-2:1256 0 AMB 20-1:1256 3.50 (# 1256:20 Double Ambig)
&rst
ixpk= 1256, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 769, 770, 772, 773,
igr2= 766, 767, 766, 767,
&end
#
# 0 AMB 20-2:1257 0 AMB 20-1:1257 3.50 (# 1257:20 Double Ambig)
&rst
ixpk= 1257, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 769, 770, 288, 289,
igr2= 766, 767, 766, 767,
&end
#
# 48 ALA MB 49 PRO HD+ 4.50 (# 1258:20 Unique 2.25, 3.99 A)
&rst
ixpk= 1258, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 759, 760, 761,
igr2= 766, 767,
&end
#
# 0 AMB 20-2:1259 0 AMB 20-1:1259 3.50 (# 1259:20 Double Ambig)
&rst
ixpk= 1259, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 56, 57, 58, 82, 83, 84,
igr2= 65, 66, 65, 66,
&end
#
# 5 PRO HB- 0 AMB 20-1:1260 6.00 (# 1260:20 Single Ambig)
&rst
ixpk= 1260, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
igr1= 71, 72,
igr2= 65, 66, 65, 66,
&end
#
# 0 AMB 20-2:1261 0 AMB 20-1:1261 2.80 (# 1261:20 Double Ambig)
&rst
ixpk= 1261, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 52, 54,
igr2= 65, 66, 65, 66, 65, 66,
&end
#
# 5 PRO HA 0 AMB 20-1:1262 6.00 (# 1262:20 Single Ambig)
&rst
ixpk= 1262, nxpk= 20, iat= 74, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr2= 65, 66, 65, 66,
&end
#
# 0 AMB 20-2:1263 0 AMB 20-1:1263 2.80 (# 1263:20 Double Ambig)
&rst
ixpk= 1263, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 68, 69, 68, 69,
igr2= 65, 66, 65, 66,
&end
#
# 0 AMB 20-2:1264 0 AMB 20-1:1264 4.50 (# 1264:20 Double Ambig)
&rst
ixpk= 1264, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 71, 72, 71, 72,
igr2= 65, 66, 65, 66,
&end
#
# 35 PHE HA 34 GLY HA+ 4.50 (# 1265:20 Unique 4.21, 4.51 A)
&rst
ixpk= 1265, nxpk= 20, iat= 542, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 535, 536,
&end
#
# 0 AMB 20-2:1266 0 AMB 20-1:1266 4.50 (# 1266:20 Double Ambig)
&rst
ixpk= 1266, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 575, 576, 578, 579,
igr2= 535, 536, 535, 536,
&end
#
# 0 AMB 20-2:1268 0 AMB 20-1:1268 6.00 (# 1268:20 Double Ambig)
&rst
ixpk= 1268, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=13.17, r4=13.92,
igr1= 95, 40, 41, 42, 44, 45, 46, 40, 41, 42,
44, 45, 46, 38,
igr2=1018,1019,1018,1019,1018,1019,1018,1019,
&end
#
# 37 GLN HB- 34 GLY HA+ 4.50 (# 1269:20 Unique 2.28, 5.04 A)
&rst
ixpk= 1269, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 575, 576,
igr2= 535, 536,
&end
#
# 16 THR MG2 81 GLY HA+ 6.00 (# 1271:20 Unique 4.51, 6.74 A)
&rst
ixpk= 1271, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 248, 249, 250,
igr2=1298,1299,
&end
#
# 0 AMB 20-2:1275 0 AMB 20-1:1275 6.00 (# 1275:20 Double Ambig)
&rst
ixpk= 1275, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.52, r4=10.27,
igr1= 512, 513, 512, 513,
igr2= 418, 419, 418, 419,
&end
#
# 0 AMB 20-2:1276 26 GLY HA- 6.00 (# 1276:20 Single Ambig)
&rst
ixpk= 1276, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
igr1= 512, 513, 512, 513,
igr2= 418, 419,
&end
#
# 73 THR HA 73 THR HB 4.50 (# 1279:20 Unique 2.35, 2.65 A)
&rst
ixpk= 1279, nxpk= 20, iat=1162,1164, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 73 THR MG2 73 THR HB 3.50 (# 1280:20 Unique 2.40, 2.65 A)
&rst
ixpk= 1280, nxpk= 20, iat= -1,1164, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1166,1167,1168,
&end
#
# 0 AMB 20-2:1281 73 THR HB 8.00 (# 1281:20 Single Ambig)
&rst
ixpk= 1281, nxpk= 20, iat= -1,1164, r1= 0.00, r2= 1.80, r3=11.31, r4=12.06,
igr1=1212,1213,1212,1213,1215,1216,1215,1216,
&end
#
# 27 THR HA 27 THR HB 3.50 (# 1282:20 Unique 2.39, 2.45 A)
&rst
ixpk= 1282, nxpk= 20, iat= 425, 427, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 27 THR MG2 27 THR HB 2.80 (# 1283:20 Unique 2.39, 2.65 A)
&rst
ixpk= 1283, nxpk= 20, iat= -1, 427, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 429, 430, 431,
&end
#
# 16 THR HA 16 THR HB 2.80 (# 1284:20 Unique 2.45, 2.49 A)
&rst
ixpk= 1284, nxpk= 20, iat= 244, 246, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 16 THR MG2 16 THR HB 2.80 (# 1285:20 Unique 2.43, 2.66 A)
&rst
ixpk= 1285, nxpk= 20, iat= -1, 246, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 248, 249, 250,
&end
#
# 0 AMB 20-2:1286 38 THR HB 3.50 (# 1286:20 Single Ambig)
&rst
ixpk= 1286, nxpk= 20, iat= -1, 592, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 594, 595, 596,1434,1435,1436,1438,1439,1440,
&end
#
# 0 AMB 20-2:1287 4 THR HB 3.50 (# 1287:20 Single Ambig)
&rst
ixpk= 1287, nxpk= 20, iat= -1, 54, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 65, 66, 65, 66,
&end
#
# 0 AMB 20-2:1288 4 THR HB 2.80 (# 1288:20 Single Ambig)
&rst
ixpk= 1288, nxpk= 20, iat= -1, 54, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 56, 57, 58, 82, 83, 84,
&end
#
# 7 LEU HA 10 THR HB 3.50 (# 1289:20 Unique 2.52, 2.78 A)
&rst
ixpk= 1289, nxpk= 20, iat= 90, 147, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 10 THR MG2 10 THR HB 2.80 (# 1290:20 Unique 2.42, 2.67 A)
&rst
ixpk= 1290, nxpk= 20, iat= -1, 147, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 149, 150, 151,
&end
#
# 0 AMB 20-2:1291 10 THR HB 4.50 (# 1291:20 Single Ambig)
&rst
ixpk= 1291, nxpk= 20, iat= -1, 147, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 97, 98, 99, 101, 102, 103, 97, 98, 99, 101,
102, 103,
&end
#
# 6 ALA HA 9 THR HB 3.50 (# 1292:20 Unique 2.26, 2.73 A)
&rst
ixpk= 1292, nxpk= 20, iat= 80, 133, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 9 THR HA 9 THR HB 4.50 (# 1293:20 Unique 2.99, 2.99 A)
&rst
ixpk= 1293, nxpk= 20, iat= 131, 133, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 9 THR MG2 9 THR HB 2.80 (# 1294:20 Unique 2.40, 2.65 A)
&rst
ixpk= 1294, nxpk= 20, iat= -1, 133, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 135, 136, 137,
&end
#
# 0 AMB 20-2:1295 10 THR HA 4.50 (# 1295:20 Single Ambig)
&rst
ixpk= 1295, nxpk= 20, iat= -1, 145, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 192, 193, 192, 193,
&end
#
# 0 AMB 20-2:1296 90 THR HB 3.50 (# 1296:20 Single Ambig)
&rst
ixpk= 1296, nxpk= 20, iat= -1,1418, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1420,1421,1422,1434,1435,1436,1438,1439,1440,
&end
#
# 10 THR MG2 10 THR HA 2.80 (# 1297:20 Unique 2.46, 3.13 A)
&rst
ixpk= 1297, nxpk= 20, iat= -1, 145, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 149, 150, 151,
&end
#
# 38 THR HB 38 THR HA 6.00 (# 1298:20 Unique 3.04, 3.05 A)
&rst
ixpk= 1298, nxpk= 20, iat= 592, 590, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 12 ASP HB+ 9 THR HA 6.00 (# 1299:20 Unique 2.53, 3.31 A)
&rst
ixpk= 1299, nxpk= 20, iat= -1, 131, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 180, 181,
&end
#
# 9 THR HB 9 THR HA 2.80 (# 1300:20 Unique 2.99, 2.99 A)
&rst
ixpk= 1300, nxpk= 20, iat= 133, 131, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 20-2:1301 9 THR HA 4.50 (# 1301:20 Single Ambig)
&rst
ixpk= 1301, nxpk= 20, iat= -1, 131, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 180, 181, 201, 202,
&end
#
# 9 THR MG2 9 THR HA 2.80 (# 1302:20 Unique 2.36, 3.09 A)
&rst
ixpk= 1302, nxpk= 20, iat= -1, 131, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 135, 136, 137,
&end
#
# 52 SER HA 52 SER HB+ 3.50 (# 1303:20 Unique 2.39, 2.67 A)
&rst
ixpk= 1303, nxpk= 20, iat= 816, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 818, 819,
&end
#
# 0 AMB 20-2:1305 5 PRO HA 6.00 (# 1305:20 Single Ambig)
&rst
ixpk= 1305, nxpk= 20, iat= -1, 74, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 65, 66, 65, 66,
&end
#
# 5 PRO HB- 5 PRO HA 2.80 (# 1306:20 Unique 2.29, 2.58 A)
&rst
ixpk= 1306, nxpk= 20, iat= -1, 74, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 71, 72,
&end
#
# 0 AMB 20-2:1307 5 PRO HA 4.50 (# 1307:20 Single Ambig)
&rst
ixpk= 1307, nxpk= 20, iat= -1, 74, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 111, 112, 68, 69,
&end
#
# 5 PRO HB+ 5 PRO HA 3.50 (# 1308:20 Unique 2.29, 2.58 A)
&rst
ixpk= 1308, nxpk= 20, iat= -1, 74, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 71, 72,
&end
#
# 8 LYS HB+ 5 PRO HA 6.00 (# 1309:20 Unique 2.45, 4.64 A)
&rst
ixpk= 1309, nxpk= 20, iat= -1, 74, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 111, 112,
&end
#
# 15 VAL HB 15 VAL HA 3.50 (# 1310:20 Unique 2.38, 2.70 A)
&rst
ixpk= 1310, nxpk= 20, iat= 230, 228, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:1311 15 VAL HA 4.50 (# 1311:20 Single Ambig)
&rst
ixpk= 1311, nxpk= 20, iat= -1, 228, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 232, 233, 234, 236, 237, 238, 216, 217, 218, 220,
221, 222,
&end
#
# 14 VAL MGY 15 VAL HA 6.00 (# 1312:20 Unique 3.10, 5.56 A)
&rst
ixpk= 1312, nxpk= 20, iat= -1, 228, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 216, 217, 218, 220, 221, 222,
&end
#
# 21 VAL MGY 15 VAL HA 4.50 (# 1313:20 Unique 2.23, 4.13 A)
&rst
ixpk= 1313, nxpk= 20, iat= -1, 228, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 328, 329, 330, 332, 333, 334,
&end
#
# 15 VAL MGY 15 VAL HA 3.50 (# 1314:20 Unique 2.36, 3.34 A)
&rst
ixpk= 1314, nxpk= 20, iat= -1, 228, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 232, 233, 234, 236, 237, 238,
&end
#
# 39 VAL MGY 36 SER HA 4.50 (# 1315:20 Unique 2.06, 4.46 A)
&rst
ixpk= 1315, nxpk= 20, iat= -1, 562, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 608, 609, 610, 612, 613, 614,
&end
#
# 0 AMB 20-2:1316 0 AMB 20-1:1316 2.80 (# 1316:20 Double Ambig)
&rst
ixpk= 1316, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 606,1153,1154,
igr2= 562,1156,
&end
#
# 66 LYS HB+ 72 PRO HA 6.00 (# 1317:20 Unique 2.57, 4.59 A)
&rst
ixpk= 1317, nxpk= 20, iat= -1,1156, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1046,1047,
&end
#
# 0 AMB 20-2:1318 0 AMB 20-1:1318 2.80 (# 1318:20 Double Ambig)
&rst
ixpk= 1318, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
igr1= 564, 565, 564, 565,1514,
igr2= 562,1516,1517,
&end
#
# 96 SER HA 96 SER HB- 3.50 (# 1320:20 Unique 2.38, 2.68 A)
&rst
ixpk= 1320, nxpk= 20, iat=1514, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1516,1517,
&end
#
# 17 SER HA 17 SER HB+ 3.50 (# 1324:20 Unique 2.40, 2.64 A)
&rst
ixpk= 1324, nxpk= 20, iat= 258, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 260, 261,
&end
#
# 90 THR HB 87 CYS HA 4.50 (# 1325:20 Unique 2.25, 2.43 A)
&rst
ixpk= 1325, nxpk= 20, iat=1418,1374, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 39 VAL MGY 87 CYS HA 3.50 (# 1326:20 Unique 2.07, 3.81 A)
&rst
ixpk= 1326, nxpk= 20, iat= -1,1374, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 608, 609, 610, 612, 613, 614,
&end
#
# 0 AMB 20-2:1327 31 PRO HA 2.80 (# 1327:20 Single Ambig)
&rst
ixpk= 1327, nxpk= 20, iat= -1, 501, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 498, 499, 495, 496,
&end
#
# 24 MET ME 31 PRO HA 6.00 (# 1328:20 Unique 2.12, 3.08 A)
&rst
ixpk= 1328, nxpk= 20, iat= -1, 501, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1= 388, 389, 390,
&end
#
# 45 SER HA 45 SER HB+ 3.50 (# 1329:20 Unique 2.40, 2.68 A)
&rst
ixpk= 1329, nxpk= 20, iat= 713, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 715, 716,
&end
#
# 45 SER HA 45 SER HB- 3.50 (# 1330:20 Unique 2.40, 2.68 A)
&rst
ixpk= 1330, nxpk= 20, iat= 713, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 715, 716,
&end
#
# 0 AMB 20-2:1331 49 PRO HA 2.80 (# 1331:20 Single Ambig)
&rst
ixpk= 1331, nxpk= 20, iat= -1, 775, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 772, 773, 769, 770,
&end
#
# 49 PRO HG- 49 PRO HA 6.00 (# 1332:20 Unique 3.01, 3.96 A)
&rst
ixpk= 1332, nxpk= 20, iat= -1, 775, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 769, 770,
&end
#
# 49 PRO HB- 49 PRO HA 4.50 (# 1333:20 Unique 2.32, 2.53 A)
&rst
ixpk= 1333, nxpk= 20, iat= -1, 775, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 772, 773,
&end
#
# 16 THR MG2 16 THR HA 2.80 (# 1334:20 Unique 2.44, 3.03 A)
&rst
ixpk= 1334, nxpk= 20, iat= -1, 244, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 248, 249, 250,
&end
#
# 55 ILE HB 55 ILE HA 3.50 (# 1335:20 Unique 2.27, 2.45 A)
&rst
ixpk= 1335, nxpk= 20, iat= 859, 857, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:1336 55 ILE HA 3.50 (# 1336:20 Single Ambig)
&rst
ixpk= 1336, nxpk= 20, iat= -1, 857, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 861, 862, 863, 965, 966, 967, 969, 970, 971,
&end
#
# 0 AMB 20-2:1337 68 TYR HA 2.80 (# 1337:20 Single Ambig)
&rst
ixpk= 1337, nxpk= 20, iat= -1,1081, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1083,1084,1083,1084,
&end
#
# 0 AMB 20-2:1338 68 TYR HA 6.00 (# 1338:20 Single Ambig)
&rst
ixpk= 1338, nxpk= 20, iat= -1,1081, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 40, 41, 42, 44, 45, 46, 40, 41, 42, 44,
45, 46,
&end
#
# 53 VAL MGY 53 VAL HA 2.80 (# 1339:20 Unique 2.48, 3.16 A)
&rst
ixpk= 1339, nxpk= 20, iat= -1, 827, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 831, 832, 833, 835, 836, 837,
&end
#
# 53 VAL MGX 53 VAL HA 3.50 (# 1340:20 Unique 2.48, 3.16 A)
&rst
ixpk= 1340, nxpk= 20, iat= -1, 827, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 831, 832, 833, 835, 836, 837,
&end
#
# 17 SER HB- 17 SER HA 2.80 (# 1341:20 Unique 2.40, 2.64 A)
&rst
ixpk= 1341, nxpk= 20, iat= -1, 258, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 260, 261,
&end
#
# 0 AMB 20-2:1342 109 SER HA 2.80 (# 1342:20 Single Ambig)
&rst
ixpk= 1342, nxpk= 20, iat= -1,1706, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1708,1709,1708,1709,
&end
#
# 44 LYS HG- 44 LYS HA 3.50 (# 1343:20 Unique 2.37, 2.93 A)
&rst
ixpk= 1343, nxpk= 20, iat= -1, 691, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 696, 697,
&end
#
# 0 AMB 20-2:1344 44 LYS HA 2.80 (# 1344:20 Single Ambig)
&rst
ixpk= 1344, nxpk= 20, iat= -1, 691, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 696, 697, 693, 694, 693, 694,
&end
#
# 0 AMB 20-2:1345 0 AMB 20-1:1345 6.00 (# 1345:20 Double Ambig)
&rst
ixpk= 1345, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.31, r4=10.06,
igr1=1463,1464,1465,1549,1550,1549,1550,
igr2=1446,1340,
&end
#
# 0 AMB 20-2:1346 104 GLU HA 4.50 (# 1346:20 Single Ambig)
&rst
ixpk= 1346, nxpk= 20, iat= -1,1631, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1636,1637,1636,1637,
&end
#
# 107 MET HB+ 104 GLU HA 2.80 (# 1347:20 Unique 2.51, 3.56 A)
&rst
ixpk= 1347, nxpk= 20, iat= -1,1631, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1680,1681,
&end
#
# 104 GLU HB+ 104 GLU HA 2.80 (# 1348:20 Unique 2.46, 2.77 A)
&rst
ixpk= 1348, nxpk= 20, iat= -1,1631, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1633,1634,
&end
#
# 0 AMB 20-2:1349 4 THR HA 3.50 (# 1349:20 Single Ambig)
&rst
ixpk= 1349, nxpk= 20, iat= -1, 52, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 65, 66, 65, 66,
&end
#
# 4 THR MG2 4 THR HA 3.50 (# 1350:20 Unique 2.34, 3.16 A)
&rst
ixpk= 1350, nxpk= 20, iat= -1, 52, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 56, 57, 58,
&end
#
# 33 CYS HB+ 33 CYS HA 6.00 (# 1351:20 Unique 2.39, 2.64 A)
&rst
ixpk= 1351, nxpk= 20, iat= -1, 524, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 526, 527,
&end
#
# 99 LEU MDX 94 TYR HA 6.00 (# 1352:20 Unique 3.19, 5.14 A)
&rst
ixpk= 1352, nxpk= 20, iat= -1,1471, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1554,1555,1556,1558,1559,1560,
&end
#
# 73 THR MG2 73 THR HA 3.50 (# 1353:20 Unique 2.39, 3.11 A)
&rst
ixpk= 1353, nxpk= 20, iat= -1,1162, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1166,1167,1168,
&end
#
# 73 THR HG1 73 THR HA 3.50 (# 1354:20 Unique 2.25, 3.15 A)
&rst
ixpk= 1354, nxpk= 20, iat=1170,1162, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 84 PHE HB+ 84 PHE HA 4.50 (# 1355:20 Unique 2.48, 2.80 A)
&rst
ixpk= 1355, nxpk= 20, iat= -1,1340, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1342,1343,
&end
#
# 0 AMB 20-2:1356 0 AMB 20-1:1356 2.80 (# 1356:20 Double Ambig)
&rst
ixpk= 1356, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1451,1452,1342,1343,
igr2=1446,1340,
&end
#
# 94 TYR HB+ 94 TYR HA 4.50 (# 1357:20 Unique 2.41, 2.74 A)
&rst
ixpk= 1357, nxpk= 20, iat= -1,1471, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1473,1474,
&end
#
# 99 LEU HB- 94 TYR HA 4.50 (# 1358:20 Unique 2.18, 2.87 A)
&rst
ixpk= 1358, nxpk= 20, iat= -1,1471, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1549,1550,
&end
#
# 0 AMB 20-2:1359 108 CYS HA 3.50 (# 1359:20 Single Ambig)
&rst
ixpk= 1359, nxpk= 20, iat= -1,1695, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1697,1698,1697,1698,
&end
#
# 96 SER HB- 96 SER HA 3.50 (# 1360:20 Unique 2.38, 2.68 A)
&rst
ixpk= 1360, nxpk= 20, iat= -1,1514, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1516,1517,
&end
#
# 0 AMB 20-2:1361 59 GLU HA 2.80 (# 1361:20 Single Ambig)
&rst
ixpk= 1361, nxpk= 20, iat= -1, 924, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 979, 980, 979, 980, 926, 927, 926, 927,
&end
#
# 0 AMB 20-2:1362 13 LYS HA 2.80 (# 1362:20 Single Ambig)
&rst
ixpk= 1362, nxpk= 20, iat= -1, 190, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 192, 193, 192, 193,
&end
#
# 13 LYS HG+ 13 LYS HA 6.00 (# 1363:20 Unique 2.32, 3.01 A)
&rst
ixpk= 1363, nxpk= 20, iat= -1, 190, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 195, 196,
&end
#
# 41 GLN HB- 41 GLN HA 3.50 (# 1364:20 Unique 2.29, 2.76 A)
&rst
ixpk= 1364, nxpk= 20, iat= -1, 636, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 638, 639,
&end
#
# 0 AMB 20-2:1365 41 GLN HA 3.50 (# 1365:20 Single Ambig)
&rst
ixpk= 1365, nxpk= 20, iat= -1, 636, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 693, 694, 693, 694,
&end
#
# 0 AMB 20-2:1366 41 GLN HA 4.50 (# 1366:20 Single Ambig)
&rst
ixpk= 1366, nxpk= 20, iat= -1, 636, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 699, 700, 699, 700,
&end
#
# 66 LYS HB- 66 LYS HA 4.50 (# 1367:20 Unique 2.40, 2.73 A)
&rst
ixpk= 1367, nxpk= 20, iat= -1,1044, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1046,1047,
&end
#
# 66 LYS HB+ 66 LYS HA 4.50 (# 1368:20 Unique 2.40, 2.73 A)
&rst
ixpk= 1368, nxpk= 20, iat= -1,1044, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1046,1047,
&end
#
# 98 GLU HG+ 98 GLU HA 4.50 (# 1370:20 Unique 2.47, 3.06 A)
&rst
ixpk= 1370, nxpk= 20, iat= -1,1532, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1537,1538,
&end
#
# 0 AMB 20-2:1371 98 GLU HA 2.80 (# 1371:20 Single Ambig)
&rst
ixpk= 1371, nxpk= 20, iat= -1,1532, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1534,1535,1534,1535,
&end
#
# 0 AMB 20-2:1372 0 AMB 20-1:1372 2.80 (# 1372:20 Double Ambig)
&rst
ixpk= 1372, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1648,1649,1648,1649,1648,1649,
igr2=1598,1646,
&end
#
# 105 LYS HG- 0 AMB 20-1:1373 4.50 (# 1373:20 Single Ambig)
&rst
ixpk= 1373, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1651,1652,
igr2=1646,1598,
&end
#
# 13 LYS HG- 13 LYS HA 4.50 (# 1374:20 Unique 2.32, 3.01 A)
&rst
ixpk= 1374, nxpk= 20, iat= -1, 190, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 195, 196,
&end
#
# 41 GLN HG- 41 GLN HA 4.50 (# 1375:20 Unique 2.46, 3.00 A)
&rst
ixpk= 1375, nxpk= 20, iat= -1, 636, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 641, 642,
&end
#
# 40 VAL MGY 41 GLN HA 6.00 (# 1376:20 Unique 3.44, 5.68 A)
&rst
ixpk= 1376, nxpk= 20, iat= -1, 636, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 624, 625, 626, 628, 629, 630,
&end
#
# 0 AMB 20-2:1377 102 GLN HA 4.50 (# 1377:20 Single Ambig)
&rst
ixpk= 1377, nxpk= 20, iat= -1,1598, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1654,1655,1654,1655,
&end
#
# 102 GLN HG- 102 GLN HA 4.50 (# 1378:20 Unique 2.39, 3.24 A)
&rst
ixpk= 1378, nxpk= 20, iat= -1,1598, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1603,1604,
&end
#
# 0 AMB 20-2:1379 19 LYS HA 3.50 (# 1379:20 Single Ambig)
&rst
ixpk= 1379, nxpk= 20, iat= -1, 286, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 291, 292, 288, 289,
&end
#
# 0 AMB 20-2:1380 19 LYS HA 3.50 (# 1380:20 Single Ambig)
&rst
ixpk= 1380, nxpk= 20, iat= -1, 286, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 294, 295, 291, 292,
&end
#
# 19 LYS HD+ 19 LYS HA 4.50 (# 1381:20 Unique 2.18, 3.72 A)
&rst
ixpk= 1381, nxpk= 20, iat= -1, 286, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 294, 295,
&end
#
# 91 VAL HB 88 ASP HA 4.50 (# 1382:20 Unique 2.52, 2.72 A)
&rst
ixpk= 1382, nxpk= 20, iat=1432,1385, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 91 VAL MGY 88 ASP HA 4.50 (# 1383:20 Unique 3.45, 4.64 A)
&rst
ixpk= 1383, nxpk= 20, iat= -1,1385, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1434,1435,1436,1438,1439,1440,
&end
#
# 0 AMB 20-2:1384 88 ASP HA 2.80 (# 1384:20 Single Ambig)
&rst
ixpk= 1384, nxpk= 20, iat= -1,1385, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1387,1388,1387,1388,
&end
#
# 67 GLU HG+ 67 GLU HA 4.50 (# 1385:20 Unique 2.39, 3.09 A)
&rst
ixpk= 1385, nxpk= 20, iat= -1,1066, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1071,1072,
&end
#
# 0 AMB 20-2:1386 67 GLU HA 2.80 (# 1386:20 Single Ambig)
&rst
ixpk= 1386, nxpk= 20, iat= -1,1066, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1068,1069,1068,1069,
&end
#
# 60 LEU HB+ 60 LEU HA 3.50 (# 1387:20 Unique 2.32, 2.73 A)
&rst
ixpk= 1387, nxpk= 20, iat= -1, 939, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 941, 942,
&end
#
# 60 LEU HB- 60 LEU HA 2.80 (# 1388:20 Unique 2.32, 2.73 A)
&rst
ixpk= 1388, nxpk= 20, iat= -1, 939, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 941, 942,
&end
#
# 0 AMB 20-2:1389 65 LEU HA 3.50 (# 1389:20 Single Ambig)
&rst
ixpk= 1389, nxpk= 20, iat= -1,1025, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1083,1084,1083,1084,
&end
#
# 65 LEU HB- 65 LEU HA 6.00 (# 1390:20 Unique 2.40, 2.77 A)
&rst
ixpk= 1390, nxpk= 20, iat= -1,1025, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1027,1028,
&end
#
# 0 AMB 20-2:1391 61 LEU HA 3.50 (# 1391:20 Single Ambig)
&rst
ixpk= 1391, 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 20-2:1392 63 GLN HA 4.50 (# 1392:20 Single Ambig)
&rst
ixpk= 1392, nxpk= 20, iat= -1,1001, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1006,1007,1006,1007,
&end
#
# 63 GLN HB+ 63 GLN HA 2.80 (# 1393:20 Unique 2.36, 2.76 A)
&rst
ixpk= 1393, nxpk= 20, iat= -1,1001, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1003,1004,
&end
#
# 66 LYS HB+ 63 GLN HA 6.00 (# 1394:20 Unique 2.91, 4.92 A)
&rst
ixpk= 1394, nxpk= 20, iat= -1,1001, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1046,1047,
&end
#
# 12 ASP HB- 12 ASP HA 4.50 (# 1395:20 Unique 2.42, 2.75 A)
&rst
ixpk= 1395, nxpk= 20, iat= -1, 178, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 180, 181,
&end
#
# 0 AMB 20-2:1396 7 LEU HA 2.80 (# 1396:20 Single Ambig)
&rst
ixpk= 1396, nxpk= 20, iat= -1, 90, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 97, 98, 99, 101, 102, 103, 97, 98, 99, 101,
102, 103,
&end
#
# 12 ASP HB+ 12 ASP HA 3.50 (# 1397:20 Unique 2.42, 2.75 A)
&rst
ixpk= 1397, nxpk= 20, iat= -1, 178, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 180, 181,
&end
#
# 15 VAL MGX 12 ASP HA 4.50 (# 1398:20 Unique 2.11, 4.37 A)
&rst
ixpk= 1398, nxpk= 20, iat= -1, 178, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 232, 233, 234, 236, 237, 238,
&end
#
# 69 SER HB+ 69 SER HA 6.00 (# 1399:20 Unique 2.34, 2.53 A)
&rst
ixpk= 1399, nxpk= 20, iat= -1,1102, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1104,1105,
&end
#
# 69 SER HB- 69 SER HA 4.50 (# 1400:20 Unique 2.34, 2.53 A)
&rst
ixpk= 1400, nxpk= 20, iat= -1,1102, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1104,1105,
&end
#
# 0 AMB 20-2:1401 7 LEU HA 2.80 (# 1401:20 Single Ambig)
&rst
ixpk= 1401, nxpk= 20, iat= -1, 90, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 92, 93, 941, 942,
&end
#
# 25 LYS HD+ 25 LYS HA 4.50 (# 1402:20 Unique 4.03, 4.55 A)
&rst
ixpk= 1402, nxpk= 20, iat= -1, 396, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 404, 405,
&end
#
# 0 AMB 20-2:1403 25 LYS HA 6.00 (# 1403:20 Single Ambig)
&rst
ixpk= 1403, nxpk= 20, iat= -1, 396, r1= 0.00, r2= 1.80, r3= 7.85, r4= 8.60,
igr1= 401, 402, 401, 402, 881,
&end
#
# 0 AMB 20-2:1404 0 AMB 20-1:1404 2.80 (# 1404:20 Double Ambig)
&rst
ixpk= 1404, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.65, r4= 7.40,
igr1= 878, 879, 878, 879, 35, 36, 404, 405, 404, 405,
igr2= 401, 402, 401, 402, 40, 41, 42, 44, 45, 46,
40, 41, 42, 44, 45, 46, 401, 402,
&end
#
# 0 AMB 20-2:1405 0 AMB 20-1:1405 6.00 (# 1405:20 Double Ambig)
&rst
ixpk= 1405, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=16.50, r4=17.25,
igr1= 384, 385, 384, 385, 384, 385,1068,1069,1068,1069,
1068,1069,1003,1004,1003,1004,1003,1004,
igr2= 347, 348, 349, 351, 352, 353, 347, 348, 349, 351,
352, 353, 40, 41, 42, 44, 45, 46, 40, 41,
42, 44, 45, 46,
&end
#
# 0 AMB 20-2:1406 0 AMB 20-1:1406 4.50 (# 1406:20 Double Ambig)
&rst
ixpk= 1406, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.08, r4=10.83,
igr1= 398, 399, 878, 879,1229,1230, 606,
igr2= 401, 402, 401, 402, 401, 402, 347, 348, 349, 351,
352, 353, 347, 348, 349, 351, 352, 353,
&end
#
# 0 AMB 20-2:1407 0 AMB 20-1:1407 3.50 (# 1407:20 Double Ambig)
&rst
ixpk= 1407, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 381, 382, 941, 942,
igr2= 347, 348, 349, 351, 352, 353, 347, 348, 349, 351,
352, 353, 946, 947, 948, 950, 951, 952,
&end
#
# 0 AMB 20-2:1408 0 AMB 20-1:1408 2.80 (# 1408:20 Double Ambig)
&rst
ixpk= 1408, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.44, r4= 6.19,
igr1= 944, 117, 118,
igr2= 946, 947, 948, 950, 951, 952, 40, 41, 42, 44,
45, 46, 40, 41, 42, 44, 45, 46,
&end
#
# 0 AMB 20-2:1409 65 LEU MDX 4.50 (# 1409:20 Single Ambig)
&rst
ixpk= 1409, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 859,1027,1028,
igr2=1032,1033,1034,1036,1037,1038,
&end
#
# 7 LEU HB- 0 AMB 20-1:1410 4.50 (# 1410:20 Single Ambig)
&rst
ixpk= 1410, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 92, 93,
igr2= 97, 98, 99, 101, 102, 103, 97, 98, 99, 101,
102, 103,
&end
#
# 43 LEU HG 39 VAL MGX 4.50 (# 1411:20 Unique 2.77, 5.09 A)
&rst
ixpk= 1411, nxpk= 20, iat= 677, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 608, 609, 610, 612, 613, 614,
&end
#
# 0 AMB 20-2:1412 0 AMB 20-1:1412 2.80 (# 1412:20 Double Ambig)
&rst
ixpk= 1412, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.41, r4= 7.16,
igr1=1654,1655,1654,1655,1500,1501,1500,1501,1150,1151,
1150,1151,
igr2=1657,1658,1657,1658,1503,1504,1503,1504,1055,1056,
1055,1056,
&end
#
# 0 AMB 20-2:1413 0 AMB 20-1:1413 2.80 (# 1413:20 Double Ambig)
&rst
ixpk= 1413, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,
igr1= 979, 980, 979, 980,1534,1535,1534,1535,
igr2= 982, 983, 982, 983,1537,1538,1537,1538,
&end
#
# 55 ILE HA 62 ARG HG+ 6.00 (# 1414:20 Unique 4.11, 6.05 A)
&rst
ixpk= 1414, nxpk= 20, iat= 857, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 982, 983,
&end
#
# 98 GLU HA 98 GLU HG+ 4.50 (# 1415:20 Unique 2.47, 3.06 A)
&rst
ixpk= 1415, nxpk= 20, iat=1532, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1537,1538,
&end
#
# 24 MET HB+ 24 MET ME 3.50 (# 1418:20 Unique 2.37, 4.13 A)
&rst
ixpk= 1418, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 381, 382,
igr2= 388, 389, 390,
&end
#
# 0 AMB 20-2:1419 24 MET ME 6.00 (# 1419:20 Single Ambig)
&rst
ixpk= 1419, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 492, 493, 544, 545,
igr2= 388, 389, 390,
&end
#
# 27 THR HA 24 MET ME 6.00 (# 1420:20 Unique 2.31, 4.90 A)
&rst
ixpk= 1420, nxpk= 20, iat= 425, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 388, 389, 390,
&end
#
# 74 PHE HD 74 PHE HA 4.50 (# 1422:20 Unique 2.24, 3.60 A)
&rst
ixpk= 1422, nxpk= 20, iat= -1,1176, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1182,1190,
&end
#
# 74 PHE HA 74 PHE HB- 6.00 (# 1424:20 Unique 2.32, 2.73 A)
&rst
ixpk= 1424, nxpk= 20, iat=1176, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1178,1179,
&end
#
# 75 PRO HA 74 PHE HB- 6.00 (# 1425:20 Unique 2.10, 3.01 A)
&rst
ixpk= 1425, nxpk= 20, iat=1204, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1178,1179,
&end
#
# 14 VAL HN 0 AMB 20-1:1426 4.50 (# 1426:20 Single Ambig)
&rst
ixpk= 1426, nxpk= 20, iat= 210, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 192, 193, 192, 193,
&end
#
# 0 AMB 20-2:1427 0 AMB 20-1:1427 4.50 (# 1427:20 Double Ambig)
&rst
ixpk= 1427, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.75, r4= 9.50,
igr1= 216, 217, 218, 220, 221, 222, 149, 150, 151,
igr2= 192, 193, 192, 193, 192, 193,
&end
#
# 5 PRO HA 5 PRO HG+ 6.00 (# 1428:20 Unique 2.85, 3.74 A)
&rst
ixpk= 1428, nxpk= 20, iat= 74, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 68, 69,
&end
#
# 0 AMB 20-2:1429 0 AMB 20-1:1429 2.80 (# 1429:20 Double Ambig)
&rst
ixpk= 1429, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 71, 72, 641, 642,
igr2= 68, 69, 638, 639,
&end
#
# 9 THR HN 6 ALA HA 6.00 (# 1430:20 Unique 3.43, 3.88 A)
&rst
ixpk= 1430, nxpk= 20, iat= 129, 80, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 7 LEU HN 6 ALA HA 6.00 (# 1431:20 Unique 3.53, 3.61 A)
&rst
ixpk= 1431, nxpk= 20, iat= 88, 80, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 6 ALA HN 6 ALA MB 6.00 (# 1432:20 Unique 2.41, 2.92 A)
&rst
ixpk= 1432, nxpk= 20, iat= 78, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 82, 83, 84,
&end
#
# 7 LEU HB- 7 LEU HA 4.50 (# 1433:20 Unique 2.43, 2.77 A)
&rst
ixpk= 1433, nxpk= 20, iat= -1, 90, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 92, 93,
&end
#
# 11 LEU HN 7 LEU HA 6.00 (# 1434:20 Unique 3.78, 3.96 A)
&rst
ixpk= 1434, nxpk= 20, iat= 157, 90, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 8 LYS HN 7 LEU HB- 6.00 (# 1435:20 Unique 2.26, 3.12 A)
&rst
ixpk= 1435, nxpk= 20, iat= 107, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 92, 93,
&end
#
# 8 LYS HN 7 LEU HB+ 6.00 (# 1436:20 Unique 2.26, 3.12 A)
&rst
ixpk= 1436, nxpk= 20, iat= 107, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 92, 93,
&end
#
# 0 AMB 20-2:1437 7 LEU HG 8.00 (# 1437:20 Single Ambig)
&rst
ixpk= 1437, nxpk= 20, iat= -1, 95, r1= 0.00, r2= 1.80, r3=12.10, r4=12.85,
igr1= 166, 167, 168, 170, 171, 172,1032,1033,1034,1036,
1037,1038,
&end
#
# 0 AMB 20-2:1438 0 AMB 20-1:1438 6.00 (# 1438:20 Double Ambig)
&rst
ixpk= 1438, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.31, r4=10.06,
igr1= 33, 396,
igr2= 946, 947, 948, 950, 951, 952, 881,
&end
#
# 3 LEU HA 7 LEU HG 8.00 (# 1439:20 Unique 3.76, 5.25 A)
&rst
ixpk= 1439, nxpk= 20, iat= 33, 95, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 10 THR MG2 0 AMB 20-1:1440 6.00 (# 1440:20 Single Ambig)
&rst
ixpk= 1440, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.90, r4=11.65,
igr1= 149, 150, 151,
igr2= 97, 98, 99, 101, 102, 103, 97, 98, 99, 101,
102, 103,
&end
#
# 8 LYS HB- 8 LYS HA 4.50 (# 1441:20 Unique 2.46, 2.79 A)
&rst
ixpk= 1441, nxpk= 20, iat= -1, 109, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 111, 112,
&end
#
# 8 LYS HG+ 8 LYS HA 4.50 (# 1442:20 Unique 2.39, 2.76 A)
&rst
ixpk= 1442, nxpk= 20, iat= -1, 109, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 114, 115,
&end
#
# 8 LYS HB+ 8 LYS HA 4.50 (# 1443:20 Unique 2.46, 2.79 A)
&rst
ixpk= 1443, nxpk= 20, iat= -1, 109, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 111, 112,
&end
#
# 0 AMB 20-2:1444 8 LYS HA 6.00 (# 1444:20 Single Ambig)
&rst
ixpk= 1444, nxpk= 20, iat= -1, 109, r1= 0.00, r2= 1.80, r3= 9.20, r4= 9.95,
igr1= 40, 41, 42, 44, 45, 46, 40, 41, 42, 44,
45, 46, 95,
&end
#
# 8 LYS HN 8 LYS HA 6.00 (# 1445:20 Unique 2.83, 2.85 A)
&rst
ixpk= 1445, nxpk= 20, iat= 107, 109, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 20-2:1446 8 LYS HB- 6.00 (# 1446:20 Single Ambig)
&rst
ixpk= 1446, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.33, r4=11.08,
igr1= 40, 41, 42, 44, 45, 46, 40, 41, 42, 44,
45, 46, 38,
igr2= 111, 112,
&end
#
# 5 PRO HA 8 LYS HB- 6.00 (# 1447:20 Unique 2.45, 4.64 A)
&rst
ixpk= 1447, nxpk= 20, iat= 74, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 111, 112,
&end
#
# 9 THR HN 8 LYS HB- 6.00 (# 1448:20 Unique 2.58, 3.21 A)
&rst
ixpk= 1448, nxpk= 20, iat= 129, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 111, 112,
&end
#
# 0 AMB 20-2:1449 0 AMB 20-1:1449 6.00 (# 1449:20 Double Ambig)
&rst
ixpk= 1449, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.19, r4=10.94,
igr1= 288, 289, 111, 112,
igr2= 297, 298, 297, 298, 120, 121,
&end
#
# 10 THR HN 9 THR HA 6.00 (# 1450:20 Unique 3.57, 3.59 A)
&rst
ixpk= 1450, nxpk= 20, iat= 143, 131, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 12 ASP HN 9 THR HA 6.00 (# 1451:20 Unique 3.52, 3.77 A)
&rst
ixpk= 1451, nxpk= 20, iat= 176, 131, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 10 THR HB 10 THR HA 6.00 (# 1452:20 Unique 3.05, 3.05 A)
&rst
ixpk= 1452, nxpk= 20, iat= 147, 145, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 14 VAL MGY 14 VAL HA 6.00 (# 1453:20 Unique 2.35, 3.30 A)
&rst
ixpk= 1453, nxpk= 20, iat= -1, 212, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 216, 217, 218, 220, 221, 222,
&end
#
# 14 VAL MGX 14 VAL HA 3.50 (# 1454:20 Unique 2.35, 3.30 A)
&rst
ixpk= 1454, nxpk= 20, iat= -1, 212, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 216, 217, 218, 220, 221, 222,
&end
#
# 10 THR HA 10 THR HB 6.00 (# 1455:20 Unique 3.05, 3.05 A)
&rst
ixpk= 1455, nxpk= 20, iat= 145, 147, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 11 LEU MDY 11 LEU HA 3.50 (# 1456:20 Unique 2.15, 3.72 A)
&rst
ixpk= 1456, nxpk= 20, iat= -1, 159, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 166, 167, 168, 170, 171, 172,
&end
#
# 14 VAL HB 11 LEU MDY 6.00 (# 1457:20 Unique 2.97, 6.62 A)
&rst
ixpk= 1457, nxpk= 20, iat= 214, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 166, 167, 168, 170, 171, 172,
&end
#
# 14 VAL MGY 11 LEU MDY 4.50 (# 1458:20 Unique 3.24, 6.85 A)
&rst
ixpk= 1458, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 216, 217, 218, 220, 221, 222,
igr2= 166, 167, 168, 170, 171, 172,
&end
#
# 9 THR HA 12 ASP HB- 4.50 (# 1459:20 Unique 2.53, 3.31 A)
&rst
ixpk= 1459, nxpk= 20, iat= 131, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 180, 181,
&end
#
# 9 THR HA 12 ASP HB+ 6.00 (# 1460:20 Unique 2.53, 3.31 A)
&rst
ixpk= 1460, nxpk= 20, iat= 131, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 180, 181,
&end
#
# 0 AMB 20-2:1461 0 AMB 20-1:1461 3.50 (# 1461:20 Double Ambig)
&rst
ixpk= 1461, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 195, 196, 195, 196,
igr2= 192, 193, 192, 193,
&end
#
# 0 AMB 20-2:1462 0 AMB 20-1:1462 6.00 (# 1462:20 Double Ambig)
&rst
ixpk= 1462, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 188,1184,1188,
igr2= 195, 196,1049,1050,
&end
#
# 0 AMB 20-2:1464 0 AMB 20-1:1464 3.50 (# 1464:20 Double Ambig)
&rst
ixpk= 1464, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 192, 193, 192, 193, 192, 193,
igr2= 198, 199, 198, 199, 198, 199,
&end
#
# 14 VAL HB 14 VAL HA 4.50 (# 1465:20 Unique 2.34, 2.70 A)
&rst
ixpk= 1465, nxpk= 20, iat= 214, 212, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 15 VAL MGY 14 VAL HB 4.50 (# 1466:20 Unique 3.17, 6.16 A)
&rst
ixpk= 1466, nxpk= 20, iat= -1, 214, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 232, 233, 234, 236, 237, 238,
&end
#
# 11 LEU MDY 14 VAL HB 6.00 (# 1467:20 Unique 2.97, 6.62 A)
&rst
ixpk= 1467, nxpk= 20, iat= -1, 214, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 166, 167, 168, 170, 171, 172,
&end
#
# 14 VAL HB 14 VAL MGY 3.50 (# 1468:20 Unique 2.40, 2.65 A)
&rst
ixpk= 1468, nxpk= 20, iat= 214, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 216, 217, 218, 220, 221, 222,
&end
#
# 0 AMB 20-2:1469 0 AMB 20-1:1469 4.50 (# 1469:20 Double Ambig)
&rst
ixpk= 1469, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.82, r4=10.57,
igr1= 664, 665, 666, 232, 233, 234, 236, 237, 238,
igr2=1434,1435,1436,1438,1439,1440, 216, 217, 218, 220,
221, 222,
&end
#
# 0 AMB 20-2:1470 90 THR MG2 6.00 (# 1470:20 Single Ambig)
&rst
ixpk= 1470, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.42, r4=10.17,
igr1=1549,1550,1463,1464,1465,
igr2=1420,1421,1422,
&end
#
# 15 VAL HN 15 VAL HB 6.00 (# 1471:20 Unique 2.23, 2.69 A)
&rst
ixpk= 1471, nxpk= 20, iat= 226, 230, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 16 THR HB 16 THR HA 3.50 (# 1472:20 Unique 2.45, 2.49 A)
&rst
ixpk= 1472, nxpk= 20, iat= 246, 244, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:1473 0 AMB 20-1:1473 6.00 (# 1473:20 Double Ambig)
&rst
ixpk= 1473, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.19, r4=10.94,
igr1=1298,1299,1018,1019,
igr2= 248, 249, 250, 56, 57, 58,
&end
#
# 17 SER HA 17 SER HB- 4.50 (# 1474:20 Unique 2.40, 2.64 A)
&rst
ixpk= 1474, nxpk= 20, iat= 258, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 260, 261,
&end
#
# 18 HIS HB- 18 HIS HA 6.00 (# 1475:20 Unique 2.42, 2.76 A)
&rst
ixpk= 1475, nxpk= 20, iat= -1, 269, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 271, 272,
&end
#
# 19 LYS HN 18 HIS HA 6.00 (# 1476:20 Unique 2.19, 2.81 A)
&rst
ixpk= 1476, nxpk= 20, iat= 284, 269, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 102 GLN HE2+ 102 GLN HG- 4.50 (# 1477:20 Unique 2.20, 3.40 A)
&rst
ixpk= 1477, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1608,1609,
igr2=1603,1604,
&end
#
# 102 GLN HN 102 GLN HG- 4.50 (# 1478:20 Unique 2.37, 3.45 A)
&rst
ixpk= 1478, nxpk= 20, iat=1596, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1603,1604,
&end
#
# 19 LYS HD+ 19 LYS HG- 3.50 (# 1479:20 Unique 2.34, 2.73 A)
&rst
ixpk= 1479, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 294, 295,
igr2= 291, 292,
&end
#
# 21 VAL HN 20 VAL HA 3.50 (# 1480:20 Unique 2.12, 2.19 A)
&rst
ixpk= 1480, nxpk= 20, iat= 322, 308, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 50 PHE HD 20 VAL MGY 6.00 (# 1481:20 Unique 4.11, 6.71 A)
&rst
ixpk= 1481, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 787, 795,
igr2= 312, 313, 314, 316, 317, 318,
&end
#
# 21 VAL MGX 21 VAL HA 6.00 (# 1482:20 Unique 2.41, 3.19 A)
&rst
ixpk= 1482, nxpk= 20, iat= -1, 324, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 328, 329, 330, 332, 333, 334,
&end
#
# 21 VAL MGY 21 VAL HA 6.00 (# 1483:20 Unique 2.41, 3.19 A)
&rst
ixpk= 1483, nxpk= 20, iat= -1, 324, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 328, 329, 330, 332, 333, 334,
&end
#
# 22 LEU HN 21 VAL HA 6.00 (# 1484:20 Unique 2.09, 2.16 A)
&rst
ixpk= 1484, nxpk= 20, iat= 338, 324, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 15 VAL HA 21 VAL MGX 6.00 (# 1485:20 Unique 2.23, 4.13 A)
&rst
ixpk= 1485, nxpk= 20, iat= 228, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 328, 329, 330, 332, 333, 334,
&end
#
# 0 AMB 20-2:1486 21 VAL MGY 3.50 (# 1486:20 Single Ambig)
&rst
ixpk= 1486, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.32, r4= 8.07,
igr1= 803, 804, 232, 233, 234, 236, 237, 238, 216, 217,
218, 220, 221, 222,
igr2= 328, 329, 330, 332, 333, 334,
&end
#
# 51 GLU HB+ 21 VAL MGY 4.50 (# 1487:20 Unique 2.17, 4.53 A)
&rst
ixpk= 1487, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 803, 804,
igr2= 328, 329, 330, 332, 333, 334,
&end
#
# 15 VAL HA 21 VAL MGY 4.50 (# 1488:20 Unique 2.23, 4.13 A)
&rst
ixpk= 1488, nxpk= 20, iat= 228, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 328, 329, 330, 332, 333, 334,
&end
#
# 51 GLU HN 21 VAL MGY 6.00 (# 1489:20 Unique 3.42, 5.02 A)
&rst
ixpk= 1489, nxpk= 20, iat= 799, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 328, 329, 330, 332, 333, 334,
&end
#
# 0 AMB 20-2:1490 22 LEU HA 3.50 (# 1490:20 Single Ambig)
&rst
ixpk= 1490, nxpk= 20, iat= -1, 340, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 347, 348, 349, 351, 352, 353, 347, 348, 349, 351,
352, 353,
&end
#
# 22 LEU HB+ 22 LEU HA 6.00 (# 1491:20 Unique 2.48, 2.83 A)
&rst
ixpk= 1491, nxpk= 20, iat= -1, 340, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 342, 343,
&end
#
# 23 PHE HN 22 LEU HA 3.50 (# 1492:20 Unique 2.10, 2.15 A)
&rst
ixpk= 1492, nxpk= 20, iat= 357, 340, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 22 LEU HA 22 LEU HB+ 6.00 (# 1493:20 Unique 2.48, 2.83 A)
&rst
ixpk= 1493, nxpk= 20, iat= 340, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 342, 343,
&end
#
# 40 VAL HA 22 LEU HG 6.00 (# 1494:20 Unique 3.70, 4.44 A)
&rst
ixpk= 1494, nxpk= 20, iat= 620, 345, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 24 MET HB- 22 LEU HG 6.00 (# 1495:20 Unique 4.13, 5.77 A)
&rst
ixpk= 1495, nxpk= 20, iat= -1, 345, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 381, 382,
&end
#
# 0 AMB 20-2:1496 0 AMB 20-1:1496 8.00 (# 1496:20 Double Ambig)
&rst
ixpk= 1496, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=17.12, r4=17.87,
igr1=1081, 23,1195,1196,1195,1196,
igr2= 40, 41, 42, 44, 45, 46, 40, 41, 42, 44,
45, 46, 401, 402, 401, 402,
&end
#
# 0 AMB 20-2:1497 23 PHE HA 3.50 (# 1497:20 Single Ambig)
&rst
ixpk= 1497, nxpk= 20, iat= -1, 359, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 377, 357,
&end
#
# 23 PHE HD 23 PHE HA 4.50 (# 1498:20 Unique 2.27, 3.49 A)
&rst
ixpk= 1498, nxpk= 20, iat= -1, 359, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 365, 373,
&end
#
# 23 PHE HB+ 23 PHE HA 4.50 (# 1499:20 Unique 2.47, 2.77 A)
&rst
ixpk= 1499, nxpk= 20, iat= -1, 359, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 361, 362,
&end
#
# 23 PHE HA 23 PHE HB+ 6.00 (# 1500:20 Unique 2.47, 2.77 A)
&rst
ixpk= 1500, nxpk= 20, iat= 359, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 361, 362,
&end
#
# 0 AMB 20-2:1501 0 AMB 20-1:1501 6.00 (# 1501:20 Double Ambig)
&rst
ixpk= 1501, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
igr1= 357,1208,
igr2= 361, 362, 361, 362,
&end
#
# 0 AMB 20-2:1502 24 MET HA 6.00 (# 1502:20 Single Ambig)
&rst
ixpk= 1502, nxpk= 20, iat= -1, 379, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 377,1208,
&end
#
# 25 LYS HN 24 MET HA 4.50 (# 1503:20 Unique 2.28, 2.55 A)
&rst
ixpk= 1503, nxpk= 20, iat= 394, 379, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:1504 24 MET HA 4.50 (# 1504:20 Single Ambig)
&rst
ixpk= 1504, nxpk= 20, iat= -1, 379, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 381, 382,1198,1199,
&end
#
# 24 MET HB- 24 MET HA 4.50 (# 1505:20 Unique 2.34, 2.53 A)
&rst
ixpk= 1505, nxpk= 20, iat= -1, 379, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 381, 382,
&end
#
# 25 LYS HN 24 MET HB+ 6.00 (# 1506:20 Unique 2.11, 3.03 A)
&rst
ixpk= 1506, nxpk= 20, iat= 394, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 381, 382,
&end
#
# 84 PHE HE 99 LEU MDY 6.00 (# 1507:20 Unique 2.59, 5.17 A)
&rst
ixpk= 1507, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1348,1352,
igr2=1554,1555,1556,1558,1559,1560,
&end
#
# 65 LEU HN 65 LEU MDX 6.00 (# 1508:20 Unique 2.65, 4.95 A)
&rst
ixpk= 1508, nxpk= 20, iat=1023, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2=1032,1033,1034,1036,1037,1038,
&end
#
# 43 LEU MDX 0 AMB 20-1:1509 6.00 (# 1509:20 Single Ambig)
&rst
ixpk= 1509, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=12.24, r4=12.99,
igr1= 679, 680, 681, 683, 684, 685,
igr2= 347, 348, 349, 351, 352, 353, 347, 348, 349, 351,
352, 353,
&end
#
# 0 AMB 20-2:1511 27 THR MG2 6.00 (# 1511:20 Single Ambig)
&rst
ixpk= 1511, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 845, 846, 475, 476,
igr2= 429, 430, 431,
&end
#
# 28 LYS HE- 28 LYS HG- 6.00 (# 1512:20 Unique 2.35, 3.11 A)
&rst
ixpk= 1512, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 450, 451,
igr2= 444, 445,
&end
#
# 28 LYS HB- 28 LYS HG- 4.50 (# 1513:20 Unique 2.38, 2.76 A)
&rst
ixpk= 1513, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 441, 442,
igr2= 444, 445,
&end
#
# 0 AMB 20-2:1514 0 AMB 20-1:1514 6.00 (# 1514:20 Double Ambig)
&rst
ixpk= 1514, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 791, 789, 793,
igr2= 450, 451, 450, 451,
&end
#
# 27 THR HN 31 PRO HA 6.00 (# 1515:20 Unique 3.04, 3.66 A)
&rst
ixpk= 1515, nxpk= 20, iat= 423, 501, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 31 PRO HD+ 31 PRO HB+ 6.00 (# 1516:20 Unique 2.80, 3.68 A)
&rst
ixpk= 1516, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 492, 493,
igr2= 498, 499,
&end
#
# 31 PRO HA 31 PRO HG+ 6.00 (# 1517:20 Unique 2.95, 3.92 A)
&rst
ixpk= 1517, nxpk= 20, iat= 501, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 495, 496,
&end
#
# 0 AMB 20-2:1518 31 PRO HD- 6.00 (# 1518:20 Single Ambig)
&rst
ixpk= 1518, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 471, 481, 485,
igr2= 492, 493,
&end
#
# 32 GLN HN 32 GLN HB+ 6.00 (# 1519:20 Unique 2.35, 3.21 A)
&rst
ixpk= 1519, nxpk= 20, iat= 505, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 509, 510,
&end
#
# 0 AMB 20-2:1520 32 GLN HB- 8.00 (# 1520:20 Single Ambig)
&rst
ixpk= 1520, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=14.25, r4=15.00,
igr1= 401, 402, 401, 402, 347, 348, 349, 351, 352, 353,
347, 348, 349, 351, 352, 353,
igr2= 509, 510,
&end
#
# 94 TYR HB- 94 TYR HA 4.50 (# 1521:20 Unique 2.41, 2.74 A)
&rst
ixpk= 1521, nxpk= 20, iat= -1,1471, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1473,1474,
&end
#
# 0 AMB 20-2:1522 0 AMB 20-1:1522 4.50 (# 1522:20 Double Ambig)
&rst
ixpk= 1522, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1016, 533,
igr2=1018,1019, 535, 536,
&end
#
# 0 AMB 20-2:1524 64 GLY HA- 8.00 (# 1524:20 Single Ambig)
&rst
ixpk= 1524, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=13.94, r4=14.69,
igr1= 95, 40, 41, 42, 44, 45, 46, 40, 41, 42,
44, 45, 46, 38,
igr2=1018,1019,
&end
#
# 35 PHE HA 35 PHE HB- 6.00 (# 1525:20 Unique 2.43, 2.77 A)
&rst
ixpk= 1525, nxpk= 20, iat= 542, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 544, 545,
&end
#
# 35 PHE HD 35 PHE HB+ 6.00 (# 1526:20 Unique 2.28, 3.09 A)
&rst
ixpk= 1526, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 548, 556,
igr2= 544, 545,
&end
#
# 35 PHE HD 35 PHE HB- 6.00 (# 1527:20 Unique 2.28, 3.09 A)
&rst
ixpk= 1527, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 548, 556,
igr2= 544, 545,
&end
#
# 0 AMB 20-2:1528 0 AMB 20-1:1528 4.50 (# 1528:20 Double Ambig)
&rst
ixpk= 1528, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1494,1495, 498, 499, 342, 343,
igr2=1516,1517, 562,
&end
#
# 0 AMB 20-2:1529 0 AMB 20-1:1529 3.50 (# 1529:20 Double Ambig)
&rst
ixpk= 1529, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
igr1= 562,1516,1517,
igr2= 564, 565, 564, 565,1514,
&end
#
# 0 AMB 20-2:1530 37 GLN HA 4.50 (# 1530:20 Single Ambig)
&rst
ixpk= 1530, nxpk= 20, iat= -1, 573, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 575, 576, 578, 579, 578, 579,
&end
#
# 40 VAL HB 37 GLN HA 6.00 (# 1531:20 Unique 2.28, 3.95 A)
&rst
ixpk= 1531, nxpk= 20, iat= 622, 573, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 20-2:1532 37 GLN HA 4.50 (# 1532:20 Single Ambig)
&rst
ixpk= 1532, nxpk= 20, iat= -1, 573, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 575, 576, 495, 496,
&end
#
# 37 GLN HN 37 GLN HA 4.50 (# 1534:20 Unique 2.77, 2.84 A)
&rst
ixpk= 1534, nxpk= 20, iat= 571, 573, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:1535 37 GLN HA 3.50 (# 1535:20 Single Ambig)
&rst
ixpk= 1535, nxpk= 20, iat= -1, 573, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 618, 588,
&end
#
# 1 MET HA 0 AMB 20-1:1536 6.00 (# 1536:20 Single Ambig)
&rst
ixpk= 1536, nxpk= 20, iat= 6, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr2=1003,1004, 68, 69,
&end
#
# 37 GLN HN 0 AMB 20-1:1537 6.00 (# 1537:20 Single Ambig)
&rst
ixpk= 1537, nxpk= 20, iat= 571, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr2= 578, 579, 578, 579,
&end
#
# 0 AMB 20-2:1538 38 THR HB 6.00 (# 1538:20 Single Ambig)
&rst
ixpk= 1538, nxpk= 20, iat= -1, 592, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1= 590, 535, 536,
&end
#
# 0 AMB 20-2:1539 39 VAL HA 6.00 (# 1539:20 Single Ambig)
&rst
ixpk= 1539, nxpk= 20, iat= -1, 604, r1= 0.00, r2= 1.80, r3= 7.85, r4= 8.60,
igr1= 657, 658, 659, 661, 662,
&end
#
# 0 AMB 20-2:1540 0 AMB 20-1:1540 2.80 (# 1540:20 Double Ambig)
&rst
ixpk= 1540, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 608, 609, 610, 612, 613, 614, 312, 313, 314, 316,
317, 318,
igr2= 606, 772, 773,
&end
#
# 0 AMB 20-2:1541 40 VAL MGY 2.80 (# 1541:20 Single Ambig)
&rst
ixpk= 1541, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 622, 638, 639,
igr2= 624, 625, 626, 628, 629, 630,
&end
#
# 49 PRO HD+ 49 PRO HG+ 4.50 (# 1542:20 Unique 2.30, 2.60 A)
&rst
ixpk= 1542, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 766, 767,
igr2= 769, 770,
&end
#
# 0 AMB 20-2:1543 0 AMB 20-1:1543 6.00 (# 1543:20 Double Ambig)
&rst
ixpk= 1543, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.58, r4=11.33,
igr1= 636,1367,1368,1367,1368,
igr2= 641, 642,1215,1216,1215,1216,
&end
#
# 0 AMB 20-2:1544 0 AMB 20-1:1544 4.50 (# 1544:20 Double Ambig)
&rst
ixpk= 1544, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 982, 983,1603,1604,
igr2= 924,1598,
&end
#
# 0 AMB 20-2:1545 0 AMB 20-1:1545 2.80 (# 1545:20 Double Ambig)
&rst
ixpk= 1545, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 985, 986, 985, 986,1448,1449,1448,1449,1585,1586,
1585,1586,
igr2= 924,1446,1583,
&end
#
# 42 ILE QD1 42 ILE HA 6.00 (# 1546:20 Unique 4.45, 4.58 A)
&rst
ixpk= 1546, nxpk= 20, iat= -1, 653, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1= 664, 665, 666,
&end
#
# 42 ILE HA 42 ILE HB 6.00 (# 1547:20 Unique 3.00, 3.02 A)
&rst
ixpk= 1547, nxpk= 20, iat= 653, 655, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 43 LEU HN 42 ILE HB 6.00 (# 1548:20 Unique 2.67, 2.75 A)
&rst
ixpk= 1548, nxpk= 20, iat= 670, 655, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 42 ILE HN 42 ILE HG1+ 6.00 (# 1549:20 Unique 2.37, 3.18 A)
&rst
ixpk= 1549, nxpk= 20, iat= 651, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 661, 662,
&end
#
# 42 ILE HN 42 ILE QD1 6.00 (# 1550:20 Unique 3.64, 4.45 A)
&rst
ixpk= 1550, nxpk= 20, iat= 651, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 664, 665, 666,
&end
#
# 94 TYR HN 42 ILE QD1 6.00 (# 1551:20 Unique 4.37, 5.67 A)
&rst
ixpk= 1551, nxpk= 20, iat=1469, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 664, 665, 666,
&end
#
# 46 LEU HG 42 ILE QG2 6.00 (# 1552:20 Unique 2.97, 6.30 A)
&rst
ixpk= 1552, nxpk= 20, iat= 729, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 657, 658, 659,
&end
#
# 43 LEU HA 42 ILE QG2 6.00 (# 1553:20 Unique 3.13, 4.22 A)
&rst
ixpk= 1553, nxpk= 20, iat= 672, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 657, 658, 659,
&end
#
# 94 TYR HE 42 ILE QG2 6.00 (# 1554:20 Unique 3.08, 4.94 A)
&rst
ixpk= 1554, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1479,1484,
igr2= 657, 658, 659,
&end
#
# 43 LEU MDY 43 LEU HB+ 6.00 (# 1555:20 Unique 2.30, 3.30 A)
&rst
ixpk= 1555, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 679, 680, 681, 683, 684, 685,
igr2= 674, 675,
&end
#
# 0 AMB 20-2:1556 43 LEU HG 6.00 (# 1556:20 Single Ambig)
&rst
ixpk= 1556, nxpk= 20, iat= -1, 677, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
igr1= 674, 675, 608, 609, 610, 612, 613, 614,
&end
#
# 40 VAL HA 43 LEU MDX 6.00 (# 1557:20 Unique 2.37, 4.99 A)
&rst
ixpk= 1557, nxpk= 20, iat= 620, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 679, 680, 681, 683, 684, 685,
&end
#
# 0 AMB 20-2:1558 43 LEU MDX 4.50 (# 1558:20 Single Ambig)
&rst
ixpk= 1558, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 787, 795, 789, 793,
igr2= 679, 680, 681, 683, 684, 685,
&end
#
# 43 LEU HN 43 LEU MDX 6.00 (# 1559:20 Unique 3.29, 4.36 A)
&rst
ixpk= 1559, nxpk= 20, iat= 670, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 679, 680, 681, 683, 684, 685,
&end
#
# 0 AMB 20-2:1560 43 LEU MDY 6.00 (# 1560:20 Single Ambig)
&rst
ixpk= 1560, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.66, r4=12.41,
igr1= 624, 625, 626, 628, 629, 630,1420,1421,1422,
igr2= 679, 680, 681, 683, 684, 685,
&end
#
# 0 AMB 20-2:1561 0 AMB 20-1:1561 6.00 (# 1561:20 Double Ambig)
&rst
ixpk= 1561, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 699, 700, 699, 700,1654,1655,
igr2= 691,1706,
&end
#
# 44 LYS HG- 0 AMB 20-1:1562 2.80 (# 1562:20 Single Ambig)
&rst
ixpk= 1562, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 696, 697,
igr2= 693, 694, 693, 694,
&end
#
# 106 ALA HN 0 AMB 20-1:1563 3.50 (# 1563:20 Single Ambig)
&rst
ixpk= 1563, nxpk= 20, iat=1666, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2=1648,1649,1648,1649,
&end
#
# 0 AMB 20-2:1564 0 AMB 20-1:1564 6.00 (# 1564:20 Double Ambig)
&rst
ixpk= 1564, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.10, r4=11.85,
igr1= 789, 793, 787, 795, 791,
igr2= 699, 700, 699, 700, 699, 700, 699, 700,
&end
#
# 44 LYS HA 0 AMB 20-1:1565 6.00 (# 1565:20 Single Ambig)
&rst
ixpk= 1565, nxpk= 20, iat= 691, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr2= 699, 700, 699, 700,
&end
#
# 0 AMB 20-2:1566 0 AMB 20-1:1566 4.50 (# 1566:20 Double Ambig)
&rst
ixpk= 1566, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 783, 784, 783, 784,
igr2= 699, 700, 699, 700,
&end
#
# 40 VAL MGY 0 AMB 20-1:1567 4.50 (# 1567:20 Single Ambig)
&rst
ixpk= 1567, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 624, 625, 626, 628, 629, 630,
igr2= 699, 700, 699, 700,
&end
#
# 45 SER HB+ 45 SER HA 2.80 (# 1568:20 Unique 2.40, 2.68 A)
&rst
ixpk= 1568, nxpk= 20, iat= -1, 713, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 715, 716,
&end
#
# 42 ILE HA 45 SER HB+ 6.00 (# 1569:20 Unique 2.67, 3.96 A)
&rst
ixpk= 1569, nxpk= 20, iat= 653, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 715, 716,
&end
#
# 42 ILE HA 45 SER HB- 6.00 (# 1570:20 Unique 2.67, 3.96 A)
&rst
ixpk= 1570, nxpk= 20, iat= 653, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 715, 716,
&end
#
# 46 LEU HN 45 SER HB+ 6.00 (# 1571:20 Unique 2.72, 3.50 A)
&rst
ixpk= 1571, nxpk= 20, iat= 722, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 715, 716,
&end
#
# 46 LEU HN 45 SER HB- 6.00 (# 1572:20 Unique 2.72, 3.50 A)
&rst
ixpk= 1572, nxpk= 20, iat= 722, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 715, 716,
&end
#
# 0 AMB 20-2:1573 0 AMB 20-1:1573 2.80 (# 1573:20 Double Ambig)
&rst
ixpk= 1573, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1= 965, 966, 967, 969, 970, 971, 731, 732, 733, 735,
736, 737,
igr2=1027,1028, 726, 727,
&end
#
# 46 LEU MDY 46 LEU HB- 4.50 (# 1574:20 Unique 2.34, 3.33 A)
&rst
ixpk= 1574, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 731, 732, 733, 735, 736, 737,
igr2= 726, 727,
&end
#
# 46 LEU HG 46 LEU HB+ 4.50 (# 1575:20 Unique 2.37, 2.73 A)
&rst
ixpk= 1575, nxpk= 20, iat= 729, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 726, 727,
&end
#
# 43 LEU HA 46 LEU HB+ 6.00 (# 1576:20 Unique 2.39, 3.14 A)
&rst
ixpk= 1576, nxpk= 20, iat= 672, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 726, 727,
&end
#
# 46 LEU HN 46 LEU MDX 6.00 (# 1577:20 Unique 3.90, 5.03 A)
&rst
ixpk= 1577, nxpk= 20, iat= 722, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 731, 732, 733, 735, 736, 737,
&end
#
# 100 GLN HE2+ 46 LEU MDY 6.00 (# 1578:20 Unique 2.39, 5.68 A)
&rst
ixpk= 1578, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1576,1577,
igr2= 731, 732, 733, 735, 736, 737,
&end
#
# 47 ASN HD2+ 47 ASN HB+ 6.00 (# 1579:20 Unique 2.32, 3.22 A)
&rst
ixpk= 1579, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 750, 751,
igr2= 745, 746,
&end
#
# 49 PRO HD+ 49 PRO HB+ 6.00 (# 1580:20 Unique 2.82, 3.70 A)
&rst
ixpk= 1580, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 766, 767,
igr2= 772, 773,
&end
#
# 0 AMB 20-2:1581 0 AMB 20-1:1581 8.00 (# 1581:20 Double Ambig)
&rst
ixpk= 1581, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=12.10, r4=12.85,
igr1= 583, 584,1581,
igr2= 495, 496,1568,1569,
&end
#
# 48 ALA MB 49 PRO HD- 4.50 (# 1583:20 Unique 2.25, 3.99 A)
&rst
ixpk= 1583, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 759, 760, 761,
igr2= 766, 767,
&end
#
# 0 AMB 20-2:1584 49 PRO HD- 3.50 (# 1584:20 Single Ambig)
&rst
ixpk= 1584, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 769, 770, 772, 773,
igr2= 766, 767,
&end
#
# 48 ALA HA 49 PRO HD- 3.50 (# 1585:20 Unique 2.19, 2.35 A)
&rst
ixpk= 1585, nxpk= 20, iat= 757, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 766, 767,
&end
#
# 51 GLU HN 50 PHE HB+ 6.00 (# 1586:20 Unique 2.39, 3.37 A)
&rst
ixpk= 1586, nxpk= 20, iat= 799, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 783, 784,
&end
#
# 0 AMB 20-2:1587 50 PHE HA 4.50 (# 1587:20 Single Ambig)
&rst
ixpk= 1587, nxpk= 20, iat= -1, 781, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 783, 784, 310,
&end
#
# 51 GLU HN 50 PHE HA 3.50 (# 1588:20 Unique 2.22, 2.34 A)
&rst
ixpk= 1588, nxpk= 20, iat= 799, 781, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:1589 51 GLU HA 6.00 (# 1589:20 Single Ambig)
&rst
ixpk= 1589, nxpk= 20, iat= -1, 801, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 806, 807, 441, 442,
&end
#
# 51 GLU HN 51 GLU HA 6.00 (# 1590:20 Unique 2.93, 2.98 A)
&rst
ixpk= 1590, nxpk= 20, iat= 799, 801, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 21 VAL MGY 51 GLU HB- 6.00 (# 1591:20 Unique 2.17, 4.53 A)
&rst
ixpk= 1591, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 328, 329, 330, 332, 333, 334,
igr2= 803, 804,
&end
#
# 53 VAL MGX 51 GLU HG- 6.00 (# 1592:20 Unique 2.35, 6.02 A)
&rst
ixpk= 1592, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 831, 832, 833, 835, 836, 837,
igr2= 806, 807,
&end
#
# 51 GLU HA 51 GLU HG+ 6.00 (# 1593:20 Unique 2.67, 3.44 A)
&rst
ixpk= 1593, nxpk= 20, iat= 801, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 806, 807,
&end
#
# 51 GLU HA 51 GLU HG- 6.00 (# 1594:20 Unique 2.67, 3.44 A)
&rst
ixpk= 1594, nxpk= 20, iat= 801, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 806, 807,
&end
#
# 50 PHE HD 51 GLU HG+ 6.00 (# 1595:20 Unique 5.77, 7.88 A)
&rst
ixpk= 1595, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 787, 795,
igr2= 806, 807,
&end
#
# 0 AMB 20-2:1596 52 SER HB- 4.50 (# 1596:20 Single Ambig)
&rst
ixpk= 1596, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 789, 793, 787, 795,
igr2= 818, 819,
&end
#
# 0 AMB 20-2:1597 52 SER HB- 4.50 (# 1597:20 Single Ambig)
&rst
ixpk= 1597, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 814, 825,
igr2= 818, 819,
&end
#
# 52 SER HB- 52 SER HA 4.50 (# 1598:20 Unique 2.39, 2.67 A)
&rst
ixpk= 1598, nxpk= 20, iat= -1, 816, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 818, 819,
&end
#
# 52 SER HB+ 52 SER HA 4.50 (# 1599:20 Unique 2.39, 2.67 A)
&rst
ixpk= 1599, nxpk= 20, iat= -1, 816, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 818, 819,
&end
#
# 0 AMB 20-2:1600 52 SER HA 2.80 (# 1600:20 Single Ambig)
&rst
ixpk= 1600, nxpk= 20, iat= -1, 816, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 825, 814,
&end
#
# 53 VAL MGY 52 SER HA 6.00 (# 1601:20 Unique 3.55, 5.79 A)
&rst
ixpk= 1601, nxpk= 20, iat= -1, 816, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 831, 832, 833, 835, 836, 837,
&end
#
# 53 VAL HA 53 VAL HB 6.00 (# 1603:20 Unique 3.03, 3.04 A)
&rst
ixpk= 1603, nxpk= 20, iat= 827, 829, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 14 VAL MGY 53 VAL MGX 6.00 (# 1604:20 Unique 2.32, 5.69 A)
&rst
ixpk= 1604, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.90, r4=11.65,
igr1= 216, 217, 218, 220, 221, 222,
igr2= 831, 832, 833, 835, 836, 837,
&end
#
# 52 SER HA 53 VAL MGX 6.00 (# 1605:20 Unique 3.55, 5.79 A)
&rst
ixpk= 1605, nxpk= 20, iat= 816, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 831, 832, 833, 835, 836, 837,
&end
#
# 0 AMB 20-2:1606 58 ASN HB- 6.00 (# 1606:20 Single Ambig)
&rst
ixpk= 1606, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
igr1= 960, 961, 960, 961,
igr2= 912, 913,
&end
#
# 58 ASN HN 58 ASN HB+ 6.00 (# 1607:20 Unique 2.35, 3.01 A)
&rst
ixpk= 1607, nxpk= 20, iat= 908, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 912, 913,
&end
#
# 58 ASN HD2+ 58 ASN HB+ 6.00 (# 1608:20 Unique 2.22, 3.31 A)
&rst
ixpk= 1608, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 917, 918,
igr2= 912, 913,
&end
#
# 58 ASN HD2+ 58 ASN HB- 6.00 (# 1609:20 Unique 2.22, 3.31 A)
&rst
ixpk= 1609, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 917, 918,
igr2= 912, 913,
&end
#
# 105 LYS HG+ 105 LYS HA 6.00 (# 1610:20 Unique 2.39, 3.01 A)
&rst
ixpk= 1610, nxpk= 20, iat= -1,1646, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1651,1652,
&end
#
# 106 ALA HN 0 AMB 20-1:1611 4.50 (# 1611:20 Single Ambig)
&rst
ixpk= 1611, nxpk= 20, iat=1666, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1646,1598,
&end
#
# 82 GLU HB- 82 GLU HG- 2.80 (# 1612:20 Unique 2.29, 2.71 A)
&rst
ixpk= 1612, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1307,1308,
igr2=1310,1311,
&end
#
# 82 GLU HA 82 GLU HG+ 6.00 (# 1613:20 Unique 2.38, 3.05 A)
&rst
ixpk= 1613, nxpk= 20, iat=1305, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1310,1311,
&end
#
# 0 AMB 20-2:1614 0 AMB 20-1:1614 6.00 (# 1614:20 Double Ambig)
&rst
ixpk= 1614, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1011,1012,1303,
igr2= 929, 930,1310,1311,
&end
#
# 0 AMB 20-2:1615 60 LEU HA 8.00 (# 1615:20 Single Ambig)
&rst
ixpk= 1615, nxpk= 20, iat= -1, 939, r1= 0.00, r2= 1.80, r3=12.10, r4=12.85,
igr1= 40, 41, 42, 44, 45, 46, 40, 41, 42, 44,
45, 46,
&end
#
# 61 LEU HN 61 LEU HA 6.00 (# 1616:20 Unique 2.77, 2.89 A)
&rst
ixpk= 1616, nxpk= 20, iat= 956, 958, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 20-2:1617 61 LEU HA 6.00 (# 1617:20 Single Ambig)
&rst
ixpk= 1617, nxpk= 20, iat= -1, 958, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 97, 98, 99, 101, 102, 103, 97, 98, 99, 101,
102, 103,
&end
#
# 0 AMB 20-2:1618 61 LEU HA 3.50 (# 1618:20 Single Ambig)
&rst
ixpk= 1618, nxpk= 20, iat= -1, 958, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 965, 966, 967, 969, 970, 971, 965, 966, 967, 969,
970, 971,
&end
#
# 99 LEU HN 0 AMB 20-1:1619 4.50 (# 1619:20 Single Ambig)
&rst
ixpk= 1619, nxpk= 20, iat=1545, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2=1534,1535,1534,1535,
&end
#
# 64 GLY HN 63 GLN HB+ 6.00 (# 1620:20 Unique 2.33, 3.20 A)
&rst
ixpk= 1620, nxpk= 20, iat=1016, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1003,1004,
&end
#
# 65 LEU HN 64 GLY HA+ 6.00 (# 1621:20 Unique 2.81, 3.29 A)
&rst
ixpk= 1621, nxpk= 20, iat=1023, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1018,1019,
&end
#
# 65 LEU HN 64 GLY HA- 6.00 (# 1622:20 Unique 2.81, 3.29 A)
&rst
ixpk= 1622, nxpk= 20, iat=1023, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1018,1019,
&end
#
# 0 AMB 20-2:1623 65 LEU HA 3.50 (# 1623:20 Single Ambig)
&rst
ixpk= 1623, nxpk= 20, iat= -1,1025, 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, 166, 167, 168, 170, 171, 172,
&end
#
# 65 LEU HA 65 LEU HB+ 6.00 (# 1624:20 Unique 2.40, 2.77 A)
&rst
ixpk= 1624, nxpk= 20, iat=1025, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1027,1028,
&end
#
# 65 LEU HA 65 LEU HG 6.00 (# 1625:20 Unique 2.91, 3.32 A)
&rst
ixpk= 1625, nxpk= 20, iat=1025,1030, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 84 PHE HB+ 79 ILE QD1 6.00 (# 1626:20 Unique 2.52, 4.58 A)
&rst
ixpk= 1626, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1342,1343,
igr2=1278,1279,1280,
&end
#
# 80 ASP HN 79 ILE QG2 4.50 (# 1627:20 Unique 2.29, 3.61 A)
&rst
ixpk= 1627, nxpk= 20, iat=1284, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1271,1272,1273,
&end
#
# 0 AMB 20-2:1628 79 ILE QG2 6.00 (# 1628:20 Single Ambig)
&rst
ixpk= 1628, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1603,1604,1342,1343,
igr2=1271,1272,1273,
&end
#
# 72 PRO HA 66 LYS HB+ 8.00 (# 1629:20 Unique 2.57, 4.59 A)
&rst
ixpk= 1629, nxpk= 20, iat=1156, -1, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr2=1046,1047,
&end
#
# 68 TYR HN 67 GLU HA 6.00 (# 1631:20 Unique 3.58, 3.61 A)
&rst
ixpk= 1631, nxpk= 20, iat=1079,1066, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 70 SER HN 67 GLU HA 6.00 (# 1632:20 Unique 3.35, 3.79 A)
&rst
ixpk= 1632, nxpk= 20, iat=1111,1066, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 68 TYR HN 0 AMB 20-1:1633 6.00 (# 1633:20 Single Ambig)
&rst
ixpk= 1633, nxpk= 20, iat=1079, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr2=1068,1069,1068,1069,
&end
#
# 3 LEU HB- 0 AMB 20-1:1634 6.00 (# 1634:20 Single Ambig)
&rst
ixpk= 1634, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
igr1= 35, 36,
igr2=1068,1069,1068,1069,
&end
#
# 0 AMB 20-2:1635 0 AMB 20-1:1635 6.00 (# 1635:20 Double Ambig)
&rst
ixpk= 1635, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.52, r4=10.27,
igr1=1018,1019,1018,1019,
igr2=1068,1069,1068,1069,
&end
#
# 68 TYR HD 69 SER HA 6.00 (# 1637:20 Unique 3.14, 5.09 A)
&rst
ixpk= 1637, nxpk= 20, iat= -1,1102, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1087,1096,
&end
#
# 70 SER HN 69 SER HA 6.00 (# 1638:20 Unique 3.00, 3.47 A)
&rst
ixpk= 1638, nxpk= 20, iat=1111,1102, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 69 SER HA 69 SER HB+ 6.00 (# 1639:20 Unique 2.34, 2.53 A)
&rst
ixpk= 1639, nxpk= 20, iat=1102, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1104,1105,
&end
#
# 68 TYR HE 69 SER HB+ 6.00 (# 1640:20 Unique 4.18, 7.32 A)
&rst
ixpk= 1640, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1089,1094,
igr2=1104,1105,
&end
#
# 68 TYR HE 69 SER HB- 6.00 (# 1641:20 Unique 4.18, 7.32 A)
&rst
ixpk= 1641, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1089,1094,
igr2=1104,1105,
&end
#
# 69 SER HN 69 SER HB- 6.00 (# 1642:20 Unique 2.45, 3.10 A)
&rst
ixpk= 1642, nxpk= 20, iat=1100, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1104,1105,
&end
#
# 70 SER HB+ 70 SER HA 2.80 (# 1643:20 Unique 2.34, 2.67 A)
&rst
ixpk= 1643, nxpk= 20, iat= -1,1113, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1115,1116,
&end
#
# 70 SER HN 70 SER HB+ 6.00 (# 1644:20 Unique 3.11, 3.82 A)
&rst
ixpk= 1644, nxpk= 20, iat=1111, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1115,1116,
&end
#
# 55 ILE QD1 55 ILE HA 6.00 (# 1645:20 Unique 3.97, 4.93 A)
&rst
ixpk= 1645, nxpk= 20, iat= -1, 857, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1= 868, 869, 870,
&end
#
# 0 AMB 20-2:1646 71 TRP HA 3.50 (# 1646:20 Single Ambig)
&rst
ixpk= 1646, nxpk= 20, iat= -1,1124, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1147,1148,1126,1127,
&end
#
# 72 PRO HD- 71 TRP HA 4.50 (# 1647:20 Unique 2.14, 2.38 A)
&rst
ixpk= 1647, nxpk= 20, iat= -1,1124, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1147,1148,
&end
#
# 71 TRP HN 71 TRP HA 6.00 (# 1648:20 Unique 2.83, 2.89 A)
&rst
ixpk= 1648, nxpk= 20, iat=1122,1124, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 69 SER HB- 71 TRP HB+ 6.00 (# 1649:20 Unique 2.78, 4.88 A)
&rst
ixpk= 1649, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1104,1105,
igr2=1126,1127,
&end
#
# 0 AMB 20-2:1650 0 AMB 20-1:1650 6.00 (# 1650:20 Double Ambig)
&rst
ixpk= 1650, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.52, r4=10.27,
igr1=1068,1069,1068,1069,
igr2= 35, 36, 35, 36,
&end
#
# 3 LEU HA 3 LEU HB+ 6.00 (# 1651:20 Unique 2.32, 2.73 A)
&rst
ixpk= 1651, nxpk= 20, iat= 33, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 35, 36,
&end
#
# 72 PRO HB+ 72 PRO HG+ 6.00 (# 1652:20 Unique 2.38, 2.64 A)
&rst
ixpk= 1652, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1153,1154,
igr2=1150,1151,
&end
#
# 72 PRO HD+ 72 PRO HG- 6.00 (# 1653:20 Unique 2.32, 2.61 A)
&rst
ixpk= 1653, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1147,1148,
igr2=1150,1151,
&end
#
# 72 PRO HG- 72 PRO HD- 6.00 (# 1654:20 Unique 2.32, 2.61 A)
&rst
ixpk= 1654, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1150,1151,
igr2=1147,1148,
&end
#
# 74 PHE HA 75 PRO HA 4.50 (# 1655:20 Unique 2.34, 2.68 A)
&rst
ixpk= 1655, nxpk= 20, iat=1176,1204, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 74 PHE HB+ 75 PRO HA 6.00 (# 1656:20 Unique 2.10, 3.01 A)
&rst
ixpk= 1656, nxpk= 20, iat= -1,1204, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1178,1179,
&end
#
# 76 GLN HN 75 PRO HA 4.50 (# 1657:20 Unique 2.21, 2.36 A)
&rst
ixpk= 1657, nxpk= 20, iat=1208,1204, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 75 PRO HB+ 75 PRO HA 6.00 (# 1658:20 Unique 2.28, 2.60 A)
&rst
ixpk= 1658, nxpk= 20, iat= -1,1204, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1201,1202,
&end
#
# 75 PRO HA 75 PRO HB+ 6.00 (# 1660:20 Unique 2.28, 2.60 A)
&rst
ixpk= 1660, nxpk= 20, iat=1204, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1201,1202,
&end
#
# 76 GLN HN 75 PRO HB- 6.00 (# 1661:20 Unique 2.57, 3.18 A)
&rst
ixpk= 1661, nxpk= 20, iat=1208, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1201,1202,
&end
#
# 75 PRO HG- 75 PRO HB- 6.00 (# 1662:20 Unique 2.36, 2.63 A)
&rst
ixpk= 1662, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1198,1199,
igr2=1201,1202,
&end
#
# 101 GLU HN 98 GLU HA 6.00 (# 1663:20 Unique 3.16, 3.45 A)
&rst
ixpk= 1663, nxpk= 20, iat=1581,1532, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 20-2:1664 0 AMB 20-1:1664 6.00 (# 1664:20 Double Ambig)
&rst
ixpk= 1664, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1208, 357,
igr2=1212,1213,1212,1213,1212,1213,
&end
#
# 77 LEU MDY 77 LEU HB- 4.50 (# 1665:20 Unique 2.31, 3.32 A)
&rst
ixpk= 1665, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1234,1235,1236,1238,1239,1240,
igr2=1229,1230,
&end
#
# 77 LEU HA 77 LEU MDX 6.00 (# 1666:20 Unique 2.16, 4.04 A)
&rst
ixpk= 1666, nxpk= 20, iat=1227, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2=1234,1235,1236,1238,1239,1240,
&end
#
# 79 ILE HN 78 TYR HA 3.50 (# 1667:20 Unique 2.22, 2.28 A)
&rst
ixpk= 1667, nxpk= 20, iat=1265,1246, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 79 ILE HA 79 ILE HB 6.00 (# 1668:20 Unique 2.51, 2.93 A)
&rst
ixpk= 1668, nxpk= 20, iat=1267,1269, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 79 ILE QD1 79 ILE HG1- 4.50 (# 1669:20 Unique 2.35, 2.65 A)
&rst
ixpk= 1669, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1278,1279,1280,
igr2=1275,1276,
&end
#
# 79 ILE HB 79 ILE HG1+ 6.00 (# 1670:20 Unique 2.40, 2.75 A)
&rst
ixpk= 1670, nxpk= 20, iat=1269, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1275,1276,
&end
#
# 106 ALA MB 79 ILE QD1 6.00 (# 1671:20 Unique 2.40, 5.25 A)
&rst
ixpk= 1671, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.65, r4= 9.40,
igr1=1670,1671,1672,
igr2=1278,1279,1280,
&end
#
# 84 PHE HA 79 ILE QD1 6.00 (# 1672:20 Unique 4.43, 5.97 A)
&rst
ixpk= 1672, nxpk= 20, iat=1340, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2=1278,1279,1280,
&end
#
# 79 ILE HA 79 ILE QD1 6.00 (# 1673:20 Unique 4.46, 4.89 A)
&rst
ixpk= 1673, nxpk= 20, iat=1267, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2=1278,1279,1280,
&end
#
# 80 ASP HN 80 ASP HA 3.50 (# 1674:20 Unique 2.21, 2.31 A)
&rst
ixpk= 1674, nxpk= 20, iat=1284,1286, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 79 ILE HA 80 ASP HA 4.50 (# 1675:20 Unique 4.19, 4.31 A)
&rst
ixpk= 1675, nxpk= 20, iat=1267,1286, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:1676 0 AMB 20-1:1676 4.50 (# 1676:20 Double Ambig)
&rst
ixpk= 1676, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 286,1668,
igr2=1286, 269,
&end
#
# 0 AMB 20-2:1677 0 AMB 20-1:1677 6.00 (# 1677:20 Double Ambig)
&rst
ixpk= 1677, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.04, r4=10.79,
igr1=1271,1272,1273, 312, 313, 314, 316, 317, 318,1275,
1276,
igr2=1286, 269,
&end
#
# 80 ASP HN 80 ASP HB- 6.00 (# 1678:20 Unique 2.28, 3.14 A)
&rst
ixpk= 1678, nxpk= 20, iat=1284, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1288,1289,
&end
#
# 15 VAL MGX 81 GLY HA+ 6.00 (# 1680:20 Unique 2.30, 4.93 A)
&rst
ixpk= 1680, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 232, 233, 234, 236, 237, 238,
igr2=1298,1299,
&end
#
# 15 VAL MGX 81 GLY HA- 6.00 (# 1681:20 Unique 2.30, 4.93 A)
&rst
ixpk= 1681, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 232, 233, 234, 236, 237, 238,
igr2=1298,1299,
&end
#
# 82 GLU HN 81 GLY HA- 6.00 (# 1682:20 Unique 3.23, 3.37 A)
&rst
ixpk= 1682, nxpk= 20, iat=1303, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1298,1299,
&end
#
# 81 GLY HN 81 GLY HA- 4.50 (# 1683:20 Unique 2.30, 2.74 A)
&rst
ixpk= 1683, nxpk= 20, iat=1296, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1298,1299,
&end
#
# 54 ASN HD2+ 54 ASN HB- 6.00 (# 1685:20 Unique 2.24, 3.22 A)
&rst
ixpk= 1685, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 850, 851,
igr2= 845, 846,
&end
#
# 27 THR MG2 54 ASN HB- 6.00 (# 1686:20 Unique 2.34, 4.36 A)
&rst
ixpk= 1686, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 429, 430, 431,
igr2= 845, 846,
&end
#
# 84 PHE HN 84 PHE HA 6.00 (# 1687:20 Unique 2.94, 2.98 A)
&rst
ixpk= 1687, nxpk= 20, iat=1338,1340, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 84 PHE HN 84 PHE HB- 6.00 (# 1688:20 Unique 2.46, 2.68 A)
&rst
ixpk= 1688, nxpk= 20, iat=1338, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1342,1343,
&end
#
# 89 ILE QD1 85 GLY HA+ 6.00 (# 1689:20 Unique 2.44, 4.88 A)
&rst
ixpk= 1689, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1408,1409,1410,
igr2=1360,1361,
&end
#
# 89 ILE QD1 85 GLY HA- 6.00 (# 1690:20 Unique 2.44, 4.88 A)
&rst
ixpk= 1690, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1408,1409,1410,
igr2=1360,1361,
&end
#
# 89 ILE HB 85 GLY HA- 6.00 (# 1691:20 Unique 2.69, 4.77 A)
&rst
ixpk= 1691, nxpk= 20, iat=1399, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1360,1361,
&end
#
# 89 ILE HB 85 GLY HA+ 6.00 (# 1692:20 Unique 2.69, 4.77 A)
&rst
ixpk= 1692, nxpk= 20, iat=1399, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1360,1361,
&end
#
# 85 GLY HN 85 GLY HA+ 6.00 (# 1693:20 Unique 2.38, 2.75 A)
&rst
ixpk= 1693, nxpk= 20, iat=1358, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1360,1361,
&end
#
# 85 GLY HN 85 GLY HA- 6.00 (# 1694:20 Unique 2.38, 2.75 A)
&rst
ixpk= 1694, nxpk= 20, iat=1358, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1360,1361,
&end
#
# 0 AMB 20-2:1695 0 AMB 20-1:1695 6.00 (# 1695:20 Double Ambig)
&rst
ixpk= 1695, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
igr1=1365,1135,
igr2=1367,1368,1367,1368,
&end
#
# 87 CYS HB- 87 CYS HA 6.00 (# 1696:20 Unique 2.40, 2.70 A)
&rst
ixpk= 1696, nxpk= 20, iat= -1,1374, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1376,1377,
&end
#
# 87 CYS HA 87 CYS HB- 6.00 (# 1697:20 Unique 2.40, 2.70 A)
&rst
ixpk= 1697, nxpk= 20, iat=1374, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1376,1377,
&end
#
# 88 ASP HN 88 ASP HA 6.00 (# 1698:20 Unique 2.80, 2.84 A)
&rst
ixpk= 1698, nxpk= 20, iat=1383,1385, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 89 ILE QG2 89 ILE HA 4.50 (# 1699:20 Unique 2.45, 3.44 A)
&rst
ixpk= 1699, nxpk= 20, iat= -1,1397, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1401,1402,1403,
&end
#
# 89 ILE QD1 89 ILE HA 6.00 (# 1700:20 Unique 2.45, 4.55 A)
&rst
ixpk= 1700, nxpk= 20, iat= -1,1397, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1=1408,1409,1410,
&end
#
# 89 ILE HG1+ 89 ILE HA 4.50 (# 1701:20 Unique 2.34, 2.80 A)
&rst
ixpk= 1701, nxpk= 20, iat= -1,1397, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1405,1406,
&end
#
# 89 ILE HB 89 ILE HA 6.00 (# 1702:20 Unique 2.41, 2.86 A)
&rst
ixpk= 1702, nxpk= 20, iat=1399,1397, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 89 ILE HG1- 89 ILE HA 4.50 (# 1703:20 Unique 2.34, 2.80 A)
&rst
ixpk= 1703, nxpk= 20, iat= -1,1397, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1405,1406,
&end
#
# 0 AMB 20-2:1704 89 ILE HA 4.50 (# 1704:20 Single Ambig)
&rst
ixpk= 1704, nxpk= 20, iat= -1,1397, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1448,1449,1448,1449,
&end
#
# 89 ILE HN 89 ILE HA 4.50 (# 1705:20 Unique 2.85, 2.88 A)
&rst
ixpk= 1705, nxpk= 20, iat=1395,1397, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 92 GLU HN 89 ILE HA 6.00 (# 1706:20 Unique 3.17, 3.48 A)
&rst
ixpk= 1706, nxpk= 20, iat=1444,1397, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 86 GLY HN 89 ILE HB 6.00 (# 1707:20 Unique 2.53, 3.37 A)
&rst
ixpk= 1707, nxpk= 20, iat=1365,1399, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 89 ILE HN 89 ILE HG1+ 6.00 (# 1708:20 Unique 2.06, 3.35 A)
&rst
ixpk= 1708, nxpk= 20, iat=1395, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1405,1406,
&end
#
# 90 THR HN 89 ILE QG2 6.00 (# 1709:20 Unique 2.53, 3.99 A)
&rst
ixpk= 1709, nxpk= 20, iat=1414, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2=1401,1402,1403,
&end
#
# 93 ALA MB 89 ILE QG2 6.00 (# 1710:20 Unique 3.30, 5.52 A)
&rst
ixpk= 1710, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.65, r4= 9.40,
igr1=1463,1464,1465,
igr2=1401,1402,1403,
&end
#
# 90 THR HB 90 THR HA 4.50 (# 1711:20 Unique 3.03, 3.04 A)
&rst
ixpk= 1711, nxpk= 20, iat=1418,1416, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 93 ALA MB 90 THR HA 4.50 (# 1712:20 Unique 2.24, 3.43 A)
&rst
ixpk= 1712, nxpk= 20, iat= -1,1416, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1463,1464,1465,
&end
#
# 90 THR MG2 90 THR HA 3.50 (# 1713:20 Unique 2.46, 3.11 A)
&rst
ixpk= 1713, nxpk= 20, iat= -1,1416, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1420,1421,1422,
&end
#
# 0 AMB 20-2:1714 90 THR HA 6.00 (# 1714:20 Single Ambig)
&rst
ixpk= 1714, nxpk= 20, iat= -1,1416, r1= 0.00, r2= 1.80, r3= 8.65, r4= 9.40,
igr1=1401,1402,1403,1234,1235,1236,1238,1239,1240,
&end
#
# 87 CYS HA 90 THR HB 6.00 (# 1715:20 Unique 2.25, 2.43 A)
&rst
ixpk= 1715, nxpk= 20, iat=1374,1418, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 39 VAL HA 90 THR MG2 6.00 (# 1716:20 Unique 2.61, 4.24 A)
&rst
ixpk= 1716, nxpk= 20, iat= 604, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2=1420,1421,1422,
&end
#
# 90 THR HN 90 THR MG2 6.00 (# 1717:20 Unique 4.47, 4.58 A)
&rst
ixpk= 1717, nxpk= 20, iat=1414, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2=1420,1421,1422,
&end
#
# 91 VAL HN 91 VAL HA 4.50 (# 1718:20 Unique 2.84, 2.85 A)
&rst
ixpk= 1718, nxpk= 20, iat=1428,1430, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 94 TYR HD 91 VAL HA 6.00 (# 1719:20 Unique 3.27, 5.06 A)
&rst
ixpk= 1719, nxpk= 20, iat= -1,1430, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1477,1486,
&end
#
# 91 VAL HA 91 VAL HB 6.00 (# 1720:20 Unique 3.03, 3.03 A)
&rst
ixpk= 1720, nxpk= 20, iat=1430,1432, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 92 GLU HA 91 VAL MGX 6.00 (# 1721:20 Unique 3.33, 5.64 A)
&rst
ixpk= 1721, nxpk= 20, iat=1446, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2=1434,1435,1436,1438,1439,1440,
&end
#
# 92 GLU HN 92 GLU HA 3.50 (# 1722:20 Unique 2.88, 2.89 A)
&rst
ixpk= 1722, nxpk= 20, iat=1444,1446, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 91 VAL MGX 92 GLU HA 6.00 (# 1723:20 Unique 3.33, 5.64 A)
&rst
ixpk= 1723, nxpk= 20, iat= -1,1446, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1434,1435,1436,1438,1439,1440,
&end
#
# 91 VAL MGX 92 GLU HG+ 6.00 (# 1724:20 Unique 3.41, 6.29 A)
&rst
ixpk= 1724, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1434,1435,1436,1438,1439,1440,
igr2=1451,1452,
&end
#
# 0 AMB 20-2:1725 93 ALA HA 6.00 (# 1725:20 Single Ambig)
&rst
ixpk= 1725, nxpk= 20, iat= -1,1461, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1534,1535,1534,1535,
&end
#
# 93 ALA HN 93 ALA HA 6.00 (# 1726:20 Unique 2.84, 2.86 A)
&rst
ixpk= 1726, nxpk= 20, iat=1459,1461, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 99 LEU MDX 93 ALA MB 6.00 (# 1727:20 Unique 3.47, 5.72 A)
&rst
ixpk= 1727, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.71, r4=10.46,
igr1=1554,1555,1556,1558,1559,1560,
igr2=1463,1464,1465,
&end
#
# 94 TYR HN 94 TYR HA 6.00 (# 1728:20 Unique 2.85, 2.87 A)
&rst
ixpk= 1728, nxpk= 20, iat=1469,1471, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 20-2:1729 94 TYR HA 6.00 (# 1729:20 Single Ambig)
&rst
ixpk= 1729, nxpk= 20, iat= -1,1471, r1= 0.00, r2= 1.80, r3= 7.85, r4= 8.60,
igr1= 657, 658, 659, 661, 662,
&end
#
# 95 LYS HN 94 TYR HB+ 6.00 (# 1730:20 Unique 2.57, 3.30 A)
&rst
ixpk= 1730, nxpk= 20, iat=1490, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1473,1474,
&end
#
# 95 LYS HN 94 TYR HB- 6.00 (# 1731:20 Unique 2.57, 3.30 A)
&rst
ixpk= 1731, nxpk= 20, iat=1490, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1473,1474,
&end
#
# 94 TYR HA 94 TYR HB+ 6.00 (# 1732:20 Unique 2.41, 2.74 A)
&rst
ixpk= 1732, nxpk= 20, iat=1471, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1473,1474,
&end
#
# 42 ILE QG2 94 TYR HB+ 6.00 (# 1733:20 Unique 2.41, 3.80 A)
&rst
ixpk= 1733, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 657, 658, 659,
igr2=1473,1474,
&end
#
# 99 LEU MDX 94 TYR HB+ 6.00 (# 1734:20 Unique 2.22, 5.10 A)
&rst
ixpk= 1734, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1554,1555,1556,1558,1559,1560,
igr2=1473,1474,
&end
#
# 95 LYS HG+ 95 LYS HA 4.50 (# 1735:20 Unique 2.43, 2.75 A)
&rst
ixpk= 1735, nxpk= 20, iat= -1,1492, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1497,1498,
&end
#
# 95 LYS HG- 95 LYS HA 4.50 (# 1736:20 Unique 2.43, 2.75 A)
&rst
ixpk= 1736, nxpk= 20, iat= -1,1492, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1497,1498,
&end
#
# 95 LYS HB- 95 LYS HA 2.80 (# 1737:20 Unique 2.47, 2.79 A)
&rst
ixpk= 1737, nxpk= 20, iat= -1,1492, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1494,1495,
&end
#
# 0 AMB 20-2:1738 0 AMB 20-1:1738 6.00 (# 1738:20 Double Ambig)
&rst
ixpk= 1738, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=12.93, r4=13.68,
igr1=1657,1658,1657,1658,1657,1658,1503,1504,1503,1504,
igr2=1648,1649,1648,1649,1648,1649,1494,1495,1494,1495,
&end
#
# 0 AMB 20-2:1739 0 AMB 20-1:1739 4.50 (# 1739:20 Double Ambig)
&rst
ixpk= 1739, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 711,1490,
igr2= 693, 694, 693, 694,1494,1495,
&end
#
# 95 LYS HN 95 LYS HG+ 6.00 (# 1740:20 Unique 2.35, 3.14 A)
&rst
ixpk= 1740, nxpk= 20, iat=1490, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1497,1498,
&end
#
# 98 GLU HN 98 GLU HG+ 6.00 (# 1741:20 Unique 2.14, 2.83 A)
&rst
ixpk= 1741, nxpk= 20, iat=1530, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1537,1538,
&end
#
# 99 LEU HN 98 GLU HG- 6.00 (# 1742:20 Unique 4.14, 4.66 A)
&rst
ixpk= 1742, nxpk= 20, iat=1545, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1537,1538,
&end
#
# 100 GLN HN 99 LEU HB+ 6.00 (# 1743:20 Unique 2.50, 3.23 A)
&rst
ixpk= 1743, nxpk= 20, iat=1564, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1549,1550,
&end
#
# 46 LEU HG 99 LEU MDX 6.00 (# 1744:20 Unique 2.60, 6.76 A)
&rst
ixpk= 1744, nxpk= 20, iat= 729, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2=1554,1555,1556,1558,1559,1560,
&end
#
# 94 TYR HB+ 99 LEU MDX 6.00 (# 1745:20 Unique 2.22, 5.10 A)
&rst
ixpk= 1745, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1473,1474,
igr2=1554,1555,1556,1558,1559,1560,
&end
#
# 0 AMB 20-2:1746 99 LEU MDX 6.00 (# 1746:20 Single Ambig)
&rst
ixpk= 1746, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1545,1444,
igr2=1554,1555,1556,1558,1559,1560,
&end
#
# 103 VAL HN 102 GLN HA 6.00 (# 1747:20 Unique 3.56, 3.59 A)
&rst
ixpk= 1747, nxpk= 20, iat=1613,1598, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 20-2:1748 102 GLN HA 2.80 (# 1748:20 Single Ambig)
&rst
ixpk= 1748, nxpk= 20, iat= -1,1598, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1600,1601,1600,1601,
&end
#
# 0 AMB 20-2:1749 0 AMB 20-1:1749 6.00 (# 1749:20 Double Ambig)
&rst
ixpk= 1749, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=12.06, r4=12.81,
igr1=1271,1272,1273,1619,1620,1621,1623,1624,1625,1275,
1276,
igr2=1603,1604,1603,1604,1603,1604,
&end
#
# 0 AMB 20-2:1750 102 GLN HG- 2.80 (# 1750:20 Single Ambig)
&rst
ixpk= 1750, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1600,1601,1600,1601,
igr2=1603,1604,
&end
#
# 104 GLU HB- 104 GLU HA 3.50 (# 1751:20 Unique 2.46, 2.77 A)
&rst
ixpk= 1751, nxpk= 20, iat= -1,1631, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1633,1634,
&end
#
# 0 AMB 20-2:1752 104 GLU HB- 2.80 (# 1752:20 Single Ambig)
&rst
ixpk= 1752, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1636,1637,1636,1637,
igr2=1633,1634,
&end
#
# 0 AMB 20-2:1753 105 LYS HG- 4.50 (# 1753:20 Single Ambig)
&rst
ixpk= 1753, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1648,1649,1648,1649,
igr2=1651,1652,
&end
#
# 107 MET HN 106 ALA HA 6.00 (# 1754:20 Unique 3.54, 3.59 A)
&rst
ixpk= 1754, nxpk= 20, iat=1676,1668, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 107 MET HA 0 AMB 20-1:1755 6.00 (# 1755:20 Single Ambig)
&rst
ixpk= 1755, nxpk= 20, iat=1678, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr2=1683,1684,1680,1681,
&end
#
# 104 GLU HA 107 MET HB+ 6.00 (# 1756:20 Unique 2.51, 3.56 A)
&rst
ixpk= 1756, nxpk= 20, iat=1631, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1680,1681,
&end
#
# 109 SER HA 0 AMB 20-1:1757 2.80 (# 1757:20 Single Ambig)
&rst
ixpk= 1757, nxpk= 20, iat=1706, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2=1708,1709,1708,1709,
&end
#
# 11 LEU HN 12 ASP HA 6.00 (# 1758:20 Unique 5.45, 5.49 A)
&rst
ixpk= 1758, nxpk= 20, iat= 157, 178, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 15 VAL HN 14 VAL MGX 6.00 (# 1759:20 Unique 2.46, 4.33 A)
&rst
ixpk= 1759, nxpk= 20, iat= 226, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 216, 217, 218, 220, 221, 222,
&end
#
# 0 AMB 20-2:1760 14 VAL MGX 4.50 (# 1760:20 Single Ambig)
&rst
ixpk= 1760, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 192, 193, 192, 193,
igr2= 216, 217, 218, 220, 221, 222,
&end
#
# 0 AMB 20-2:1761 14 VAL MGY 6.00 (# 1761:20 Single Ambig)
&rst
ixpk= 1761, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.58, r4=11.33,
igr1=1252,1261, 267,1254,1259,
igr2= 216, 217, 218, 220, 221, 222,
&end
#
# 100 GLN HA 100 GLN HG+ 6.00 (# 1764:20 Unique 2.43, 2.97 A)
&rst
ixpk= 1764, nxpk= 20, iat=1566, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1571,1572,
&end
#
# 56 LEU HA 56 LEU MDX 8.00 (# 1765:20 Unique 2.15, 3.49 A)
&rst
ixpk= 1765, nxpk= 20, iat= 876, -1, r1= 0.00, r2= 1.80, r3=10.78, r4=11.53,
igr2= 883, 884, 885, 887, 888, 889,
&end
#
# 4 THR HN 4 THR HB 6.00 (# 1766:20 Unique 2.79, 3.58 A)
&rst
ixpk= 1766, nxpk= 20, iat= 50, 54, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 8 LYS HB+ 8 LYS HE- 4.50 (# 1767:20 Unique 2.14, 3.60 A)
&rst
ixpk= 1767, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 111, 112,
igr2= 120, 121,
&end
#
# 0 AMB 20-2:1768 40 VAL HA 4.50 (# 1768:20 Single Ambig)
&rst
ixpk= 1768, nxpk= 20, iat= -1, 620, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 624, 625, 626, 628, 629, 630, 608, 609, 610, 612,
613, 614,
&end
#
# 5 PRO HG+ 5 PRO HA 6.00 (# 1769:20 Unique 2.85, 3.74 A)
&rst
ixpk= 1769, nxpk= 20, iat= -1, 74, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 68, 69,
&end
#
# 41 GLN HB+ 41 GLN HA 4.50 (# 1770:20 Unique 2.29, 2.76 A)
&rst
ixpk= 1770, nxpk= 20, iat= -1, 636, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 638, 639,
&end
#
# 0 AMB 20-2:1771 56 LEU MDY 4.50 (# 1771:20 Single Ambig)
&rst
ixpk= 1771, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 398, 399, 878, 879,
igr2= 883, 884, 885, 887, 888, 889,
&end
#
# 8 LYS HG- 0 AMB 20-1:1772 3.50 (# 1772:20 Single Ambig)
&rst
ixpk= 1772, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 114, 115,
igr2= 97, 98, 99, 101, 102, 103, 97, 98, 99, 101,
102, 103,
&end
#
# 5 PRO HG- 0 AMB 20-1:1773 4.50 (# 1773:20 Single Ambig)
&rst
ixpk= 1773, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 68, 69,
igr2= 65, 66, 65, 66,
&end
#
# 39 VAL MGX 39 VAL HA 2.80 (# 1774:20 Unique 2.29, 3.17 A)
&rst
ixpk= 1774, nxpk= 20, iat= -1, 604, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 608, 609, 610, 612, 613, 614,
&end
#
# 33 CYS HB- 33 CYS HA 4.50 (# 1775:20 Unique 2.39, 2.64 A)
&rst
ixpk= 1775, nxpk= 20, iat= -1, 524, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 526, 527,
&end
#
# 33 CYS HA 33 CYS HB+ 6.00 (# 1776:20 Unique 2.39, 2.64 A)
&rst
ixpk= 1776, nxpk= 20, iat= 524, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 526, 527,
&end
#
# 0 AMB 20-2:1777 103 VAL HB 3.50 (# 1777:20 Single Ambig)
&rst
ixpk= 1777, nxpk= 20, iat= -1,1617, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1619,1620,1621,1623,1624,1625,1554,1555,1556,1558,
1559,1560,
&end
#
# 0 AMB 20-2:1778 43 LEU HB- 6.00 (# 1778:20 Single Ambig)
&rst
ixpk= 1778, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
igr1= 787, 795, 789, 793,
igr2= 674, 675,
&end
#
# 0 AMB 20-2:1779 0 AMB 20-1:1779 6.00 (# 1779:20 Double Ambig)
&rst
ixpk= 1779, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.52, r4=10.27,
igr1= 787, 795, 789, 793,
igr2= 674, 675, 674, 675,
&end
#
# 84 PHE HZ 99 LEU MDY 4.50 (# 1780:20 Unique 2.98, 4.79 A)
&rst
ixpk= 1780, nxpk= 20, iat=1350, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1554,1555,1556,1558,1559,1560,
&end
#
# 0 AMB 20-2:1781 56 LEU HB- 6.00 (# 1781:20 Single Ambig)
&rst
ixpk= 1781, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.52, r4=10.27,
igr1= 883, 884, 885, 887, 888, 889, 865, 866,
igr2= 878, 879,
&end
#
# 7 LEU HN 4 THR HB 8.00 (# 1782:20 Unique 3.31, 5.22 A)
&rst
ixpk= 1782, nxpk= 20, iat= 88, 54, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 75 PRO HG- 75 PRO HD+ 6.00 (# 1784:20 Unique 2.33, 2.61 A)
&rst
ixpk= 1784, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1198,1199,
igr2=1195,1196,
&end
#
# 75 PRO HG+ 75 PRO HD+ 6.00 (# 1785:20 Unique 2.33, 2.61 A)
&rst
ixpk= 1785, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1198,1199,
igr2=1195,1196,
&end
#
# 0 AMB 20-2:1786 77 LEU MDY 6.00 (# 1786:20 Single Ambig)
&rst
ixpk= 1786, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.71, r4=10.46,
igr1=1229,1230, 606,
igr2=1234,1235,1236,1238,1239,1240,
&end
#
# 24 MET HN 55 ILE QG2 6.00 (# 1787:20 Unique 2.34, 3.86 A)
&rst
ixpk= 1787, nxpk= 20, iat= 377, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 861, 862, 863,
&end
#
# 0 AMB 20-2:1788 0 AMB 20-1:1788 4.50 (# 1788:20 Double Ambig)
&rst
ixpk= 1788, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.69, r4=11.44,
igr1= 965, 966, 967, 969, 970, 971, 861, 862, 863, 731,
732, 733, 735, 736, 737,
igr2=1032,1033,1034,1036,1037,1038,1554,1555,1556,1558,
1559,1560,
&end
#
# 68 TYR HH 8 LYS HG+ 6.00 (# 1789:20 Unique 3.77, 6.16 A)
&rst
ixpk= 1789, nxpk= 20, iat=1092, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 114, 115,
&end
#
# 55 ILE HA 55 ILE QD1 6.00 (# 1791:20 Unique 3.97, 4.93 A)
&rst
ixpk= 1791, nxpk= 20, iat= 857, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 868, 869, 870,
&end
#
# 55 ILE HN 55 ILE QD1 4.50 (# 1792:20 Unique 2.19, 4.23 A)
&rst
ixpk= 1792, nxpk= 20, iat= 855, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 868, 869, 870,
&end
#
# 0 AMB 20-2:1793 55 ILE QD1 4.50 (# 1793:20 Single Ambig)
&rst
ixpk= 1793, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1182,1190, 365, 373,
igr2= 868, 869, 870,
&end
#
# 0 AMB 20-2:1794 55 ILE QG2 4.50 (# 1794:20 Single Ambig)
&rst
ixpk= 1794, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
1037,1038,
igr2= 861, 862, 863,
&end
#
# 55 ILE HG1+ 55 ILE QG2 4.50 (# 1795:20 Unique 2.35, 3.46 A)
&rst
ixpk= 1795, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 865, 866,
igr2= 861, 862, 863,
&end
#
# 55 ILE QD1 55 ILE QG2 4.50 (# 1796:20 Unique 2.24, 3.99 A)
&rst
ixpk= 1796, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 868, 869, 870,
igr2= 861, 862, 863,
&end
#
# 74 PHE HE 65 LEU HB- 6.00 (# 1797:20 Unique 2.61, 5.11 A)
&rst
ixpk= 1797, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1184,1188,
igr2=1027,1028,
&end
#
# 59 GLU HN 60 LEU MDY 6.00 (# 1798:20 Unique 3.81, 6.78 A)
&rst
ixpk= 1798, nxpk= 20, iat= 922, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 946, 947, 948, 950, 951, 952,
&end
#
# 94 TYR HE 46 LEU MDX 6.00 (# 1799:20 Unique 2.26, 6.03 A)
&rst
ixpk= 1799, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1479,1484,
igr2= 731, 732, 733, 735, 736, 737,
&end
#
# 94 TYR HD 46 LEU MDX 6.00 (# 1800:20 Unique 2.24, 6.29 A)
&rst
ixpk= 1800, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1477,1486,
igr2= 731, 732, 733, 735, 736, 737,
&end
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