NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
501267 |
2l18   |
cing | 1-original | 5 | AMBER | distance | NOE | ambi |
#
# 33 THR HN 33 THR HB 3.50 (# 0:25 Unique 2.75, 2.85 A
)
&rst
ixpk= 0, nxpk= 25, iat= 504, 508, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
&end
#
# 34 SER HN 33 THR HB 4.50 (# 1:25 Unique 4.08, 4.20 A
)
&rst
ixpk= 1, nxpk= 25, iat= 518, 508, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 5 MET ME 33 THR HB 3.50 (# 2:25 Unique 2.57, 3.64 A
)
&rst
ixpk= 2, nxpk= 25, iat= -1, 508, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 92, 93, 94,
&end
#
# 33 THR HA 33 THR HB 3.50 (# 5:25 Unique 3.03, 3.04 A
)
&rst
ixpk= 5, nxpk= 25, iat= 506, 508, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 33 THR MG2 33 THR HB 2.80 (# 6:25 Unique 2.25, 2.66 A
)
&rst
ixpk= 6, nxpk= 25, iat= -1, 508, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 510, 511, 512,
&end
#
# 0 AMB 25-2:7 0 AMB 25-1:7 2.80 (# 7:25 Double Ambig
)
&rst
ixpk= 7, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 913, 394,
igr2= 903, 384,
&end
#
# 61 THR HA 61 THR HB 2.80 (# 9:25 Unique 2.36, 2.46 A
)
&rst
ixpk= 9, nxpk= 25, iat= 901, 903, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 24 THR HN 24 THR HB 2.80 (# 10:25 Unique 2.44, 2.47 A
)
&rst
ixpk= 10, nxpk= 25, iat= 380, 384, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 24 THR MG2 24 THR HB 2.80 (# 11:25 Unique 2.39, 2.64 A
)
&rst
ixpk= 11, nxpk= 25, iat= -1, 384, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 386, 387, 388,
&end
#
# 55 ILE QD1 24 THR HB 3.50 (# 12:25 Unique 2.83, 3.69 A
)
&rst
ixpk= 12, nxpk= 25, iat= -1, 384, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 827, 828, 829,
&end
#
# 92 THR MG2 92 THR HB 2.80 (# 16:25 Unique 2.37, 2.65 A
)
&rst
ixpk= 16, nxpk= 25, iat= -1,1352, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1354,1355,1356,
&end
#
# 115 VAL HN 114 THR HB 3.50 (# 17:25 Unique 2.44, 2.54 A
)
&rst
ixpk= 17, nxpk= 25, iat=1716,1706, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 114 THR MG2 114 THR HB 2.80 (# 19:25 Unique 2.37, 2.64 A
)
&rst
ixpk= 19, nxpk= 25, iat= -1,1706, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1708,1709,1710,
&end
#
# 114 THR HN 114 THR HB 2.80 (# 20:25 Unique 2.32, 2.39 A
)
&rst
ixpk= 20, nxpk= 25, iat=1702,1706, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 114 THR HA 114 THR HB 3.50 (# 21:25 Unique 3.05, 3.06 A
)
&rst
ixpk= 21, nxpk= 25, iat=1704,1706, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 111 VAL HA 114 THR HB 3.50 (# 22:25 Unique 2.47, 2.65 A
)
&rst
ixpk= 22, nxpk= 25, iat=1644,1706, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:23 123 VAL HA 3.50 (# 23:25 Single Ambig
)
&rst
ixpk= 23, nxpk= 25, iat= -1,1859, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1857,1873,
&end
#
# 6 PHE HE 123 VAL HA 3.50 (# 24:25 Unique 3.01, 4.36 A
)
&rst
ixpk= 24, nxpk= 25, iat= -1,1859, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 108, 112,
&end
#
# 126 LEU HB+ 123 VAL HA 3.50 (# 25:25 Unique 2.99, 4.14 A
)
&rst
ixpk= 25, nxpk= 25, iat= -1,1859, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1906,1907,
&end
#
# 123 VAL HB 123 VAL HA 3.50 (# 26:25 Unique 3.04, 3.05 A
)
&rst
ixpk= 26, nxpk= 25, iat=1861,1859, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 126 LEU HB- 123 VAL HA 3.50 (# 27:25 Unique 2.99, 4.14 A
)
&rst
ixpk= 27, nxpk= 25, iat= -1,1859, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1906,1907,
&end
#
# 123 VAL MGY 123 VAL HA 2.80 (# 28:25 Unique 2.56, 3.17 A
)
&rst
ixpk= 28, nxpk= 25, iat= -1,1859, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1863,1864,1865,1867,1868,1869,
&end
#
# 123 VAL MGX 123 VAL HA 2.80 (# 29:25 Unique 2.56, 3.17 A
)
&rst
ixpk= 29, nxpk= 25, iat= -1,1859, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1863,1864,1865,1867,1868,1869,
&end
#
# 45 THR HN 45 THR HB 3.50 (# 30:25 Unique 2.46, 2.53 A
)
&rst
ixpk= 30, nxpk= 25, iat= 674, 678, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 45 THR MG2 45 THR HB 2.80 (# 32:25 Unique 2.38, 2.65 A
)
&rst
ixpk= 32, nxpk= 25, iat= -1, 678, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 680, 681, 682,
&end
#
# 12 SER HA 12 SER HB- 3.50 (# 33:25 Unique 2.26, 2.58 A
)
&rst
ixpk= 33, nxpk= 25, iat= 207, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 209, 210,
&end
#
# 12 SER HA 12 SER HB+ 3.50 (# 35:25 Unique 2.26, 2.58 A
)
&rst
ixpk= 35, nxpk= 25, iat= 207, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 209, 210,
&end
#
# 123 VAL HN 119 VAL HA 5.50 (# 38:25 Unique 3.89, 4.03 A
)
&rst
ixpk= 38, nxpk= 25, iat=1857,1782, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:39 119 VAL HA 3.50 (# 39:25 Single Ambig
)
&rst
ixpk= 39, nxpk= 25, iat= -1,1782, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1784,1767,1768,
&end
#
# 119 VAL MGY 119 VAL HA 2.80 (# 40:25 Unique 2.45, 3.16 A
)
&rst
ixpk= 40, nxpk= 25, iat= -1,1782, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1786,1787,1788,1790,1791,1792,
&end
#
# 122 ARG HB+ 119 VAL HA 3.50 (# 41:25 Unique 2.37, 3.53 A
)
&rst
ixpk= 41, nxpk= 25, iat= -1,1782, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1837,1838,
&end
#
# 114 THR HN 114 THR HA 3.50 (# 42:25 Unique 2.81, 2.82 A
)
&rst
ixpk= 42, nxpk= 25, iat=1702,1704, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 114 THR HB 114 THR HA 3.50 (# 43:25 Unique 3.05, 3.06 A
)
&rst
ixpk= 43, nxpk= 25, iat=1706,1704, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 114 THR MG2 114 THR HA 2.80 (# 44:25 Unique 2.48, 3.15 A
)
&rst
ixpk= 44, nxpk= 25, iat= -1,1704, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1708,1709,1710,
&end
#
# 115 VAL HN 115 VAL HA 3.50 (# 46:25 Unique 2.82, 2.85 A
)
&rst
ixpk= 46, nxpk= 25, iat=1716,1718, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:47 115 VAL HA 3.50 (# 47:25 Single Ambig
)
&rst
ixpk= 47, nxpk= 25, iat= -1,1718, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1763,1756,
&end
#
# 118 GLN HB+ 115 VAL HA 2.80 (# 49:25 Unique 2.40, 3.43 A
)
&rst
ixpk= 49, nxpk= 25, iat= -1,1718, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1767,1768,
&end
#
# 19 GLU HB+ 34 SER HB+ 2.80 (# 50:25 Unique 2.04, 3.32 A
)
&rst
ixpk= 50, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 310, 311,
igr2= 522, 523,
&end
#
# 0 AMB 25-2:51 115 VAL HA 2.80 (# 51:25 Single Ambig
)
&rst
ixpk= 51, nxpk= 25, iat= -1,1718, r1= 0.00, r2= 1.80, r3= 4.29, r4= 5.04,
igr1=1722,1723,1724,1726,1727,1728,1722,1723,1724,1726,
1727,1728,1508,
&end
#
# 114 THR HN 111 VAL HA 3.50 (# 53:25 Unique 3.37, 3.49 A
)
&rst
ixpk= 53, nxpk= 25, iat=1702,1644, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 111 VAL HN 111 VAL HA 3.50 (# 54:25 Unique 2.89, 2.90 A
)
&rst
ixpk= 54, nxpk= 25, iat=1642,1644, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 114 THR HB 111 VAL HA 2.80 (# 56:25 Unique 2.47, 2.65 A
)
&rst
ixpk= 56, nxpk= 25, iat=1706,1644, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 111 VAL HB 111 VAL HA 3.50 (# 57:25 Unique 3.02, 3.02 A
)
&rst
ixpk= 57, nxpk= 25, iat=1646,1644, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 111 VAL MGY 111 VAL HA 2.80 (# 58:25 Unique 2.47, 3.16 A
)
&rst
ixpk= 58, nxpk= 25, iat= -1,1644, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1648,1649,1650,1652,1653,1654,
&end
#
# 111 VAL MGX 111 VAL HA 2.80 (# 59:25 Unique 2.47, 3.16 A
)
&rst
ixpk= 59, nxpk= 25, iat= -1,1644, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1648,1649,1650,1652,1653,1654,
&end
#
# 45 THR HN 45 THR HA 3.50 (# 60:25 Unique 2.79, 2.80 A
)
&rst
ixpk= 60, nxpk= 25, iat= 674, 676, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 48 ALA HN 45 THR HA 3.50 (# 61:25 Unique 2.97, 3.08 A
)
&rst
ixpk= 61, nxpk= 25, iat= 717, 676, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 45 THR HB 45 THR HA 3.50 (# 62:25 Unique 2.95, 3.04 A
)
&rst
ixpk= 62, nxpk= 25, iat= 678, 676, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 48 ALA MB 45 THR HA 2.80 (# 63:25 Unique 2.59, 3.53 A
)
&rst
ixpk= 63, nxpk= 25, iat= -1, 676, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 721, 722, 723,
&end
#
# 45 THR MG2 45 THR HA 2.80 (# 64:25 Unique 2.52, 3.18 A
)
&rst
ixpk= 64, nxpk= 25, iat= -1, 676, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 680, 681, 682,
&end
#
# 25 LEU HN 24 THR HA 3.50 (# 66:25 Unique 3.52, 3.52 A
)
&rst
ixpk= 66, nxpk= 25, iat= 394, 382, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 24 THR HN 24 THR HA 2.80 (# 67:25 Unique 2.80, 2.81 A
)
&rst
ixpk= 67, nxpk= 25, iat= 380, 382, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 27 ALA MB 24 THR HA 3.50 (# 68:25 Unique 3.92, 4.75 A
)
&rst
ixpk= 68, nxpk= 25, iat= -1, 382, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 424, 425, 426,
&end
#
# 24 THR MG2 24 THR HA 2.80 (# 69:25 Unique 2.49, 3.17 A
)
&rst
ixpk= 69, nxpk= 25, iat= -1, 382, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 386, 387, 388,
&end
#
# 47 ILE HN 44 PRO HA 3.50 (# 70:25 Unique 3.51, 3.54 A
)
&rst
ixpk= 70, nxpk= 25, iat= 698, 670, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:72 0 AMB 25-1:72 4.50 (# 72:25 Double Ambig
)
&rst
ixpk= 72, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 365, 366, 692, 693, 694,
igr2= 382, 670,
&end
#
# 44 PRO HB+ 44 PRO HA 2.80 (# 73:25 Unique 2.28, 2.53 A
)
&rst
ixpk= 73, nxpk= 25, iat= -1, 670, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 667, 668,
&end
#
# 0 AMB 25-2:74 44 PRO HA 3.50 (# 74:25 Single Ambig
)
&rst
ixpk= 74, nxpk= 25, iat= -1, 670, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1= 702, 664, 665, 664, 665,
&end
#
# 47 ILE QD1 44 PRO HA 2.80 (# 75:25 Unique 2.08, 2.64 A
)
&rst
ixpk= 75, nxpk= 25, iat= -1, 670, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 711, 712, 713,
&end
#
# 131 SER HN 131 SER HB+ 3.50 (# 76:25 Unique 2.48, 3.06 A
)
&rst
ixpk= 76, nxpk= 25, iat=1991, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1995,1996,
&end
#
# 131 SER HA 131 SER HB- 2.80 (# 78:25 Unique 2.28, 2.77 A
)
&rst
ixpk= 78, nxpk= 25, iat=1993, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1995,1996,
&end
#
# 47 ILE HB 47 ILE HA 3.50 (# 80:25 Unique 3.03, 3.04 A
)
&rst
ixpk= 80, nxpk= 25, iat= 702, 700, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 46 ALA MB 47 ILE HA 3.50 (# 81:25 Unique 3.82, 4.65 A
)
&rst
ixpk= 81, nxpk= 25, iat= -1, 700, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 692, 693, 694,
&end
#
# 57 ILE HG1- 47 ILE HA 2.80 (# 82:25 Unique 1.94, 2.85 A
)
&rst
ixpk= 82, nxpk= 25, iat= -1, 700, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 855, 856,
&end
#
# 0 AMB 25-2:83 47 ILE HA 4.50 (# 83:25 Single Ambig
)
&rst
ixpk= 83, nxpk= 25, iat= -1, 700, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 711, 712, 713, 755, 756, 757,
&end
#
# 0 AMB 25-2:84 47 ILE HA 2.80 (# 84:25 Single Ambig
)
&rst
ixpk= 84, nxpk= 25, iat= -1, 700, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
igr1= 708, 709, 858, 859, 860,
&end
#
# 109 LEU HN 108 SER HB- 3.50 (# 86:25 Unique 2.75, 3.33 A
)
&rst
ixpk= 86, nxpk= 25, iat=1608, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1601,1602,
&end
#
# 108 SER HN 108 SER HB- 3.50 (# 87:25 Unique 2.31, 2.93 A
)
&rst
ixpk= 87, nxpk= 25, iat=1597, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1601,1602,
&end
#
# 108 SER HN 108 SER HB+ 3.50 (# 91:25 Unique 2.31, 2.93 A
)
&rst
ixpk= 91, nxpk= 25, iat=1597, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1601,1602,
&end
#
# 131 SER HN 131 SER HB- 4.50 (# 94:25 Unique 2.48, 3.06 A
)
&rst
ixpk= 94, nxpk= 25, iat=1991, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1995,1996,
&end
#
# 39 SER HA 39 SER HB+ 2.80 (# 96:25 Unique 2.30, 2.53 A
)
&rst
ixpk= 96, nxpk= 25, iat= 583, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 585, 586,
&end
#
# 40 SER HN 39 SER HB+ 3.50 (# 97:25 Unique 2.54, 3.28 A
)
&rst
ixpk= 97, nxpk= 25, iat= 592, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 585, 586,
&end
#
# 39 SER HA 39 SER HB- 2.80 (# 99:25 Unique 2.30, 2.53 A
)
&rst
ixpk= 99, nxpk= 25, iat= 583, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 585, 586,
&end
#
# 88 PRO HD+ 88 PRO HA 3.50 (# 102:25 Unique 3.30, 3.76 A
)
&rst
ixpk= 102, nxpk= 25, iat= -1,1289, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1280,1281,
&end
#
# 88 PRO HB+ 88 PRO HA 2.80 (# 103:25 Unique 2.31, 2.54 A
)
&rst
ixpk= 103, nxpk= 25, iat= -1,1289, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1286,1287,
&end
#
# 88 PRO HB- 88 PRO HA 2.80 (# 105:25 Unique 2.31, 2.54 A
)
&rst
ixpk= 105, nxpk= 25, iat= -1,1289, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1286,1287,
&end
#
# 96 PHE HE 78 SER HB- 2.80 (# 107:25 Unique 2.04, 3.77 A
)
&rst
ixpk= 107, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1423,1427,
igr2=1154,1155,
&end
#
# 127 ILE HN 127 ILE HA 3.50 (# 111:25 Unique 2.77, 2.79 A
)
&rst
ixpk= 111, nxpk= 25, iat=1921,1923, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:112 127 ILE HA 3.50 (# 112:25 Single Ambig
)
&rst
ixpk= 112, nxpk= 25, iat= -1,1923, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1972,1940,
&end
#
# 127 ILE HB 127 ILE HA 3.50 (# 113:25 Unique 3.02, 3.03 A
)
&rst
ixpk= 113, nxpk= 25, iat=1925,1923, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 127 ILE HG1- 127 ILE HA 3.50 (# 114:25 Unique 2.35, 2.68 A
)
&rst
ixpk= 114, nxpk= 25, iat= -1,1923, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1931,1932,
&end
#
# 130 ILE HG1- 127 ILE HA 2.80 (# 115:25 Unique 1.98, 2.34 A
)
&rst
ixpk= 115, nxpk= 25, iat= -1,1923, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1982,1983,
&end
#
# 130 ILE HG1+ 127 ILE HA 3.50 (# 116:25 Unique 1.98, 2.34 A
)
&rst
ixpk= 116, nxpk= 25, iat= -1,1923, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1982,1983,
&end
#
# 127 ILE HG1+ 127 ILE HA 2.80 (# 117:25 Unique 2.35, 2.68 A
)
&rst
ixpk= 117, nxpk= 25, iat= -1,1923, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1931,1932,
&end
#
# 0 AMB 25-2:118 127 ILE HA 2.80 (# 118:25 Single Ambig
)
&rst
ixpk= 118, nxpk= 25, iat= -1,1923, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1927,1928,1929, 465, 466, 467,
&end
#
# 0 AMB 25-2:119 127 ILE HA 3.50 (# 119:25 Single Ambig
)
&rst
ixpk= 119, nxpk= 25, iat= -1,1923, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 472, 473, 474,1934,1935,1936,
&end
#
# 65 ILE HN 65 ILE HA 3.50 (# 120:25 Unique 2.79, 2.84 A
)
&rst
ixpk= 120, nxpk= 25, iat= 950, 952, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 68 PHE HD 65 ILE HA 3.50 (# 121:25 Unique 2.70, 5.35 A
)
&rst
ixpk= 121, nxpk= 25, iat= -1, 952, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1006,1014,
&end
#
# 65 ILE HB 65 ILE HA 2.80 (# 122:25 Unique 2.42, 2.48 A
)
&rst
ixpk= 122, nxpk= 25, iat= 954, 952, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 65 ILE HG1- 65 ILE HA 2.80 (# 123:25 Unique 2.19, 2.58 A
)
&rst
ixpk= 123, nxpk= 25, iat= -1, 952, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 960, 961,
&end
#
# 65 ILE HG1+ 65 ILE HA 2.80 (# 124:25 Unique 2.19, 2.58 A
)
&rst
ixpk= 124, nxpk= 25, iat= -1, 952, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 960, 961,
&end
#
# 43 HIS HN 42 VAL HA 2.80 (# 126:25 Unique 2.16, 2.21 A
)
&rst
ixpk= 126, nxpk= 25, iat= 643, 629, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 12 SER HA 42 VAL HA 3.50 (# 127:25 Unique 2.09, 2.25 A
)
&rst
ixpk= 127, nxpk= 25, iat= 207, 629, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 42 VAL HB 42 VAL HA 3.50 (# 128:25 Unique 2.30, 2.85 A
)
&rst
ixpk= 128, nxpk= 25, iat= 631, 629, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:129 0 AMB 25-1:129 2.80 (# 129:25 Double Ambig
)
&rst
ixpk= 129, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 633, 634, 635, 637, 638, 639,1255,1256,1257,1259,
1260,1261,
igr2= 629,1154,1155,
&end
#
# 112 PHE HN 112 PHE HA 3.50 (# 134:25 Unique 2.79, 2.80 A
)
&rst
ixpk= 134, nxpk= 25, iat=1658,1660, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 112 PHE HB- 112 PHE HA 3.50 (# 135:25 Unique 2.65, 2.84 A
)
&rst
ixpk= 135, nxpk= 25, iat= -1,1660, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1662,1663,
&end
#
# 104 PRO HB+ 112 PHE HA 2.80 (# 136:25 Unique 2.56, 3.62 A
)
&rst
ixpk= 136, nxpk= 25, iat= -1,1660, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1554,1555,
&end
#
# 104 PRO HB- 112 PHE HA 3.50 (# 137:25 Unique 2.56, 3.62 A
)
&rst
ixpk= 137, nxpk= 25, iat= -1,1660, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1554,1555,
&end
#
# 0 AMB 25-2:138 0 AMB 25-1:138 3.50 (# 138:25 Double Ambig
)
&rst
ixpk= 138, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1678,1716, 205,
igr2=1660, 917, 918,
&end
#
# 0 AMB 25-2:139 0 AMB 25-1:139 3.50 (# 139:25 Double Ambig
)
&rst
ixpk= 139, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 631,1720,
igr2= 917, 918,1660,
&end
#
# 41 ARG HN 40 SER HB+ 3.50 (# 140:25 Unique 2.48, 3.29 A
)
&rst
ixpk= 140, nxpk= 25, iat= 603, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 596, 597,
&end
#
# 40 SER HA 40 SER HB+ 2.80 (# 141:25 Unique 2.48, 2.81 A
)
&rst
ixpk= 141, nxpk= 25, iat= 594, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 596, 597,
&end
#
# 0 AMB 25-2:143 0 AMB 25-1:143 4.50 (# 143:25 Double Ambig
)
&rst
ixpk= 143, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 583, 193,
igr2= 917, 918, 917, 918,
&end
#
# 0 AMB 25-2:145 62 SER HB- 4.50 (# 145:25 Single Ambig
)
&rst
ixpk= 145, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 583, 903,
igr2= 917, 918,
&end
#
# 47 ILE QG2 58 SER HB+ 3.50 (# 150:25 Unique 2.58, 5.01 A
)
&rst
ixpk= 150, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 704, 705, 706,
igr2= 868, 869,
&end
#
# 107 GLN HE2+ 104 PRO HA 3.50 (# 152:25 Unique 3.58, 4.38 A
)
&rst
ixpk= 152, nxpk= 25, iat= -1,1557, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1592,1593,
&end
#
# 107 GLN HG+ 104 PRO HA 2.80 (# 153:25 Unique 2.03, 2.27 A
)
&rst
ixpk= 153, nxpk= 25, iat= -1,1557, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1587,1588,
&end
#
# 0 AMB 25-2:154 104 PRO HA 2.80 (# 154:25 Single Ambig
)
&rst
ixpk= 154, nxpk= 25, iat= -1,1557, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1587,1588,1584,1585,
&end
#
# 104 PRO HB+ 104 PRO HA 2.80 (# 155:25 Unique 2.27, 2.64 A
)
&rst
ixpk= 155, nxpk= 25, iat= -1,1557, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1554,1555,
&end
#
# 111 VAL MGX 104 PRO HA 2.80 (# 156:25 Unique 2.89, 5.02 A
)
&rst
ixpk= 156, nxpk= 25, iat= -1,1557, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1648,1649,1650,1652,1653,1654,
&end
#
# 104 PRO HB- 104 PRO HA 3.50 (# 157:25 Unique 2.27, 2.64 A
)
&rst
ixpk= 157, nxpk= 25, iat= -1,1557, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1554,1555,
&end
#
# 21 PHE HN 21 PHE HA 3.50 (# 158:25 Unique 2.87, 2.89 A
)
&rst
ixpk= 158, nxpk= 25, iat= 328, 330, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 21 PHE HD 21 PHE HA 2.80 (# 159:25 Unique 2.11, 3.44 A
)
&rst
ixpk= 159, nxpk= 25, iat= -1, 330, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 336, 344,
&end
#
# 21 PHE HB+ 21 PHE HA 3.50 (# 160:25 Unique 2.41, 2.77 A
)
&rst
ixpk= 160, nxpk= 25, iat= -1, 330, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 332, 333,
&end
#
# 21 PHE HB- 21 PHE HA 3.50 (# 161:25 Unique 2.41, 2.77 A
)
&rst
ixpk= 161, nxpk= 25, iat= -1, 330, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 332, 333,
&end
#
# 0 AMB 25-2:162 21 PHE HA 3.50 (# 162:25 Single Ambig
)
&rst
ixpk= 162, nxpk= 25, iat= -1, 330, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 403, 404, 405, 407, 408, 409,1863,1864,1865,1867,
1868,1869,
&end
#
# 55 ILE QD1 21 PHE HA 3.50 (# 163:25 Unique 2.53, 3.41 A
)
&rst
ixpk= 163, nxpk= 25, iat= -1, 330, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 827, 828, 829,
&end
#
# 0 AMB 25-2:164 80 CYS HA 3.50 (# 164:25 Single Ambig
)
&rst
ixpk= 164, nxpk= 25, iat= -1,1182, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1184,1185, 158, 159,
&end
#
# 80 CYS HB- 80 CYS HA 3.50 (# 165:25 Unique 2.45, 2.76 A
)
&rst
ixpk= 165, nxpk= 25, iat= -1,1182, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1184,1185,
&end
#
# 0 AMB 25-2:166 14 ARG HA 3.50 (# 166:25 Single Ambig
)
&rst
ixpk= 166, nxpk= 25, iat= -1, 229, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1= 290, 291, 292, 283, 284,
&end
#
# 14 ARG HB- 14 ARG HA 2.80 (# 167:25 Unique 2.33, 2.79 A
)
&rst
ixpk= 167, nxpk= 25, iat= -1, 229, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 231, 232,
&end
#
# 0 AMB 25-2:168 14 ARG HA 5.50 (# 168:25 Single Ambig
)
&rst
ixpk= 168, nxpk= 25, iat= -1, 229, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 266, 267, 174, 175,
&end
#
# 37 LEU HN 9 LYS HA 3.50 (# 171:25 Unique 2.77, 2.97 A
)
&rst
ixpk= 171, nxpk= 25, iat= 547, 147, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:172 9 LYS HA 2.80 (# 172:25 Single Ambig
)
&rst
ixpk= 172, nxpk= 25, iat= -1, 147, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 551, 552, 149, 150,
&end
#
# 37 LEU HG 9 LYS HA 4.50 (# 173:25 Unique 2.86, 3.50 A
)
&rst
ixpk= 173, nxpk= 25, iat= 554, 147, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 9 LYS HG- 9 LYS HA 3.50 (# 174:25 Unique 2.34, 2.76 A
)
&rst
ixpk= 174, nxpk= 25, iat= -1, 147, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 152, 153,
&end
#
# 37 LEU MDX 9 LYS HA 3.50 (# 175:25 Unique 2.22, 4.43 A
)
&rst
ixpk= 175, nxpk= 25, iat= -1, 147, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 556, 557, 558, 560, 561, 562,
&end
#
# 58 SER HN 58 SER HA 3.50 (# 176:25 Unique 2.70, 2.77 A
)
&rst
ixpk= 176, nxpk= 25, iat= 864, 866, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 14 ARG HB+ 14 ARG HA 2.80 (# 180:25 Unique 2.33, 2.79 A
)
&rst
ixpk= 180, nxpk= 25, iat= -1, 229, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 231, 232,
&end
#
# 36 GLY HN 64 PRO HA 3.50 (# 181:25 Unique 2.31, 2.82 A
)
&rst
ixpk= 181, nxpk= 25, iat= 540, 946, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 65 ILE HN 64 PRO HA 2.80 (# 182:25 Unique 2.23, 2.32 A
)
&rst
ixpk= 182, nxpk= 25, iat= 950, 946, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 64 PRO HB+ 64 PRO HA 3.50 (# 183:25 Unique 2.29, 2.52 A
)
&rst
ixpk= 183, nxpk= 25, iat= -1, 946, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 943, 944,
&end
#
# 64 PRO HB- 64 PRO HA 2.80 (# 184:25 Unique 2.29, 2.52 A
)
&rst
ixpk= 184, nxpk= 25, iat= -1, 946, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 943, 944,
&end
#
# 84 VAL HB 84 VAL HA 3.50 (# 185:25 Unique 2.99, 3.00 A
)
&rst
ixpk= 185, nxpk= 25, iat=1220,1218, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 85 ASN HN 84 VAL HA 2.80 (# 187:25 Unique 1.93, 2.11 A
)
&rst
ixpk= 187, nxpk= 25, iat=1232,1218, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 84 VAL HN 84 VAL HA 3.50 (# 188:25 Unique 2.80, 2.90 A
)
&rst
ixpk= 188, nxpk= 25, iat=1216,1218, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 18 ALA MB 15 SER HA 2.80 (# 189:25 Unique 2.60, 3.46 A
)
&rst
ixpk= 189, nxpk= 25, iat= -1, 253, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 300, 301, 302,
&end
#
# 4 VAL HN 32 VAL HA 3.50 (# 190:25 Unique 2.84, 3.12 A
)
&rst
ixpk= 190, nxpk= 25, iat= 65, 490, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 33 THR HN 32 VAL HA 2.80 (# 191:25 Unique 2.15, 2.21 A
)
&rst
ixpk= 191, nxpk= 25, iat= 504, 490, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 32 VAL HB 32 VAL HA 3.50 (# 192:25 Unique 2.32, 2.36 A
)
&rst
ixpk= 192, nxpk= 25, iat= 492, 490, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 4 VAL HB 32 VAL HA 4.50 (# 193:25 Unique 2.89, 3.98 A
)
&rst
ixpk= 193, nxpk= 25, iat= 69, 490, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 32 VAL MGY 32 VAL HA 2.80 (# 194:25 Unique 2.37, 3.55 A
)
&rst
ixpk= 194, nxpk= 25, iat= -1, 490, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 494, 495, 496, 498, 499, 500,
&end
#
# 32 VAL MGX 32 VAL HA 3.50 (# 195:25 Unique 2.37, 3.55 A
)
&rst
ixpk= 195, nxpk= 25, iat= -1, 490, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 494, 495, 496, 498, 499, 500,
&end
#
# 130 ILE HN 130 ILE HA 2.80 (# 196:25 Unique 2.89, 2.90 A
)
&rst
ixpk= 196, nxpk= 25, iat=1972,1974, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 130 ILE HB 130 ILE HA 2.80 (# 197:25 Unique 2.46, 2.47 A
)
&rst
ixpk= 197, nxpk= 25, iat=1976,1974, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 25-2:198 130 ILE HA 3.50 (# 198:25 Single Ambig
)
&rst
ixpk= 198, nxpk= 25, iat= -1,1974, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 31, 32,1982,1983, 25, 26,
&end
#
# 130 ILE QG2 130 ILE HA 2.80 (# 199:25 Unique 2.24, 3.00 A
)
&rst
ixpk= 199, nxpk= 25, iat= -1,1974, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1978,1979,1980,
&end
#
# 0 AMB 25-2:200 130 ILE HA 4.50 (# 200:25 Single Ambig
)
&rst
ixpk= 200, nxpk= 25, iat= -1,1974, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1985,1986,1987,1105,1106,1107,1109,1110,1111,
&end
#
# 0 AMB 25-2:201 57 ILE HA 3.50 (# 201:25 Single Ambig
)
&rst
ixpk= 201, nxpk= 25, iat= -1, 847, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 889, 890, 886, 887,
&end
#
# 57 ILE QG2 57 ILE HA 2.80 (# 202:25 Unique 2.25, 2.80 A
)
&rst
ixpk= 202, nxpk= 25, iat= -1, 847, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 851, 852, 853,
&end
#
# 0 AMB 25-2:203 57 ILE HA 2.80 (# 203:25 Single Ambig
)
&rst
ixpk= 203, nxpk= 25, iat= -1, 847, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 889, 890, 849,
&end
#
# 116 ARG HB+ 113 ARG HA 2.80 (# 204:25 Unique 2.48, 3.07 A
)
&rst
ixpk= 204, nxpk= 25, iat= -1,1680, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1736,1737,
&end
#
# 113 ARG HN 113 ARG HA 2.80 (# 205:25 Unique 2.79, 2.82 A
)
&rst
ixpk= 205, nxpk= 25, iat=1678,1680, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 25-2:206 113 ARG HA 2.80 (# 206:25 Single Ambig
)
&rst
ixpk= 206, nxpk= 25, iat= -1,1680, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1736,1737,1682,1683,
&end
#
# 113 ARG HG+ 113 ARG HA 3.50 (# 207:25 Unique 2.28, 2.62 A
)
&rst
ixpk= 207, nxpk= 25, iat= -1,1680, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1685,1686,
&end
#
# 120 LYS HN 120 LYS HA 3.50 (# 208:25 Unique 2.83, 2.85 A
)
&rst
ixpk= 208, nxpk= 25, iat=1796,1798, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 123 VAL HB 120 LYS HA 2.80 (# 209:25 Unique 2.57, 2.70 A
)
&rst
ixpk= 209, nxpk= 25, iat=1861,1798, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 120 LYS HG+ 120 LYS HA 3.50 (# 210:25 Unique 2.57, 2.94 A
)
&rst
ixpk= 210, nxpk= 25, iat= -1,1798, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1803,1804,
&end
#
# 33 THR HN 33 THR HA 2.80 (# 215:25 Unique 2.88, 2.90 A
)
&rst
ixpk= 215, nxpk= 25, iat= 504, 506, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 25-2:217 33 THR HA 3.50 (# 217:25 Single Ambig
)
&rst
ixpk= 217, nxpk= 25, iat= -1, 506, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 508, 522, 523,
&end
#
# 32 VAL HB 33 THR HA 5.50 (# 218:25 Unique 5.53, 5.54 A
)
&rst
ixpk= 218, nxpk= 25, iat= 492, 506, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 57 ILE HG1- 57 ILE HA 3.50 (# 219:25 Unique 2.95, 3.27 A
)
&rst
ixpk= 219, nxpk= 25, iat= -1, 847, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 855, 856,
&end
#
# 94 GLU HN 94 GLU HA 3.50 (# 220:25 Unique 2.80, 2.82 A
)
&rst
ixpk= 220, nxpk= 25, iat=1379,1381, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:222 94 GLU HA 2.80 (# 222:25 Single Ambig
)
&rst
ixpk= 222, nxpk= 25, iat= -1,1381, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1386,1387,1383,1384,
&end
#
# 120 LYS HB+ 120 LYS HA 2.80 (# 223:25 Unique 2.45, 2.78 A
)
&rst
ixpk= 223, nxpk= 25, iat= -1,1798, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1800,1801,
&end
#
# 123 VAL MGX 120 LYS HA 3.50 (# 224:25 Unique 2.96, 4.30 A
)
&rst
ixpk= 224, nxpk= 25, iat= -1,1798, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1863,1864,1865,1867,1868,1869,
&end
#
# 120 LYS HB- 120 LYS HA 2.80 (# 225:25 Unique 2.45, 2.78 A
)
&rst
ixpk= 225, nxpk= 25, iat= -1,1798, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1800,1801,
&end
#
# 93 GLN HN 92 THR HA 3.50 (# 227:25 Unique 2.83, 2.91 A
)
&rst
ixpk= 227, nxpk= 25, iat=1362,1350, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 92 THR HN 92 THR HA 3.50 (# 228:25 Unique 2.86, 2.95 A
)
&rst
ixpk= 228, nxpk= 25, iat=1348,1350, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 92 THR MG2 92 THR HA 3.50 (# 229:25 Unique 2.34, 3.55 A
)
&rst
ixpk= 229, nxpk= 25, iat= -1,1350, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1354,1355,1356,
&end
#
# 131 SER HN 131 SER HA 2.80 (# 230:25 Unique 2.37, 2.71 A
)
&rst
ixpk= 230, nxpk= 25, iat=1991,1993, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 25-2:232 131 SER HA 3.50 (# 232:25 Single Ambig
)
&rst
ixpk= 232, nxpk= 25, iat= -1,1993, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1927,1928,1929, 465, 466, 467,
&end
#
# 55 ILE QG2 55 ILE HA 2.80 (# 233:25 Unique 2.42, 3.15 A
)
&rst
ixpk= 233, nxpk= 25, iat= -1, 816, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 820, 821, 822,
&end
#
# 127 ILE QD1 124 GLU HA 3.50 (# 234:25 Unique 2.67, 3.88 A
)
&rst
ixpk= 234, nxpk= 25, iat= -1,1875, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1934,1935,1936,
&end
#
# 124 GLU HN 124 GLU HA 2.80 (# 235:25 Unique 2.81, 2.82 A
)
&rst
ixpk= 235, nxpk= 25, iat=1873,1875, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 125 ASN HN 124 GLU HA 3.50 (# 236:25 Unique 3.51, 3.52 A
)
&rst
ixpk= 236, nxpk= 25, iat=1888,1875, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 124 GLU HG- 124 GLU HA 3.50 (# 237:25 Unique 2.43, 2.80 A
)
&rst
ixpk= 237, nxpk= 25, iat= -1,1875, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1880,1881,
&end
#
# 0 AMB 25-2:238 124 GLU HA 2.80 (# 238:25 Single Ambig
)
&rst
ixpk= 238, nxpk= 25, iat= -1,1875, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1880,1881,1877,1878,
&end
#
# 0 AMB 25-2:239 124 GLU HA 2.80 (# 239:25 Single Ambig
)
&rst
ixpk= 239, nxpk= 25, iat= -1,1875, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1925,1877,1878,
&end
#
# 0 AMB 25-2:240 124 GLU HA 2.80 (# 240:25 Single Ambig
)
&rst
ixpk= 240, nxpk= 25, iat= -1,1875, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 403, 404, 405, 407, 408, 409,1863,1864,1865,1867,
1868,1869,
&end
#
# 75 VAL HN 4 VAL HA 3.50 (# 241:25 Unique 2.91, 3.10 A
)
&rst
ixpk= 241, nxpk= 25, iat=1099, 67, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 4 VAL HB 4 VAL HA 3.50 (# 242:25 Unique 2.46, 2.72 A
)
&rst
ixpk= 242, nxpk= 25, iat= 69, 67, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 75 VAL MGX 4 VAL HA 3.50 (# 243:25 Unique 1.99, 3.62 A
)
&rst
ixpk= 243, nxpk= 25, iat= -1, 67, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1105,1106,1107,1109,1110,1111,
&end
#
# 5 MET HN 4 VAL HA 2.80 (# 244:25 Unique 2.12, 2.17 A
)
&rst
ixpk= 244, nxpk= 25, iat= 81, 67, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 25-2:245 4 VAL HA 2.80 (# 245:25 Single Ambig
)
&rst
ixpk= 245, nxpk= 25, iat= -1, 67, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1105,1106,1107,1109,1110,1111, 71, 72, 73, 75,
76, 77,
&end
#
# 4 VAL MGY 4 VAL HA 2.80 (# 246:25 Unique 2.44, 3.37 A
)
&rst
ixpk= 246, nxpk= 25, iat= -1, 67, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 71, 72, 73, 75, 76, 77,
&end
#
# 96 PHE HN 95 ILE HA 2.80 (# 248:25 Unique 2.19, 2.24 A
)
&rst
ixpk= 248, nxpk= 25, iat=1413,1396, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 95 ILE HB 95 ILE HA 3.50 (# 249:25 Unique 2.97, 2.99 A
)
&rst
ixpk= 249, nxpk= 25, iat=1398,1396, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 96 PHE HD 91 VAL HA 3.50 (# 250:25 Unique 2.40, 3.85 A
)
&rst
ixpk= 250, nxpk= 25, iat= -1,1334, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1421,1429,
&end
#
# 0 AMB 25-2:251 91 VAL HA 3.50 (# 251:25 Single Ambig
)
&rst
ixpk= 251, nxpk= 25, iat= -1,1334, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1332,1348,
&end
#
# 96 PHE HB+ 91 VAL HA 3.50 (# 252:25 Unique 3.08, 3.93 A
)
&rst
ixpk= 252, nxpk= 25, iat= -1,1334, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1417,1418,
&end
#
# 91 VAL HB 91 VAL HA 2.80 (# 253:25 Unique 2.40, 2.55 A
)
&rst
ixpk= 253, nxpk= 25, iat=1336,1334, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 91 VAL MGX 91 VAL HA 3.50 (# 254:25 Unique 2.25, 3.47 A
)
&rst
ixpk= 254, nxpk= 25, iat= -1,1334, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1338,1339,1340,1342,1343,1344,
&end
#
# 91 VAL MGY 91 VAL HA 2.80 (# 255:25 Unique 2.25, 3.47 A
)
&rst
ixpk= 255, nxpk= 25, iat= -1,1334, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1338,1339,1340,1342,1343,1344,
&end
#
# 56 ASP HN 55 ILE HA 2.80 (# 256:25 Unique 2.24, 2.55 A
)
&rst
ixpk= 256, nxpk= 25, iat= 833, 816, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 55 ILE HG1- 55 ILE HA 3.50 (# 257:25 Unique 2.77, 2.94 A
)
&rst
ixpk= 257, nxpk= 25, iat= -1, 816, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 824, 825,
&end
#
# 55 ILE HB 55 ILE HA 3.50 (# 258:25 Unique 3.02, 3.04 A
)
&rst
ixpk= 258, nxpk= 25, iat= 818, 816, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 55 ILE HG1+ 55 ILE HA 2.80 (# 259:25 Unique 2.77, 2.94 A
)
&rst
ixpk= 259, nxpk= 25, iat= -1, 816, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 824, 825,
&end
#
# 116 ARG HN 116 ARG HA 2.80 (# 260:25 Unique 2.80, 2.81 A
)
&rst
ixpk= 260, nxpk= 25, iat=1732,1734, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 25-2:261 116 ARG HA 2.80 (# 261:25 Single Ambig
)
&rst
ixpk= 261, nxpk= 25, iat= -1,1734, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1739,1740,1736,1737,
&end
#
# 0 AMB 25-2:262 116 ARG HA 2.80 (# 262:25 Single Ambig
)
&rst
ixpk= 262, nxpk= 25, iat= -1,1734, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1736,1737,1784,
&end
#
# 0 AMB 25-2:263 116 ARG HA 4.50 (# 263:25 Single Ambig
)
&rst
ixpk= 263, nxpk= 25, iat= -1,1734, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1786,1787,1788,1790,1791,1792,1551,1552,
&end
#
# 76 VAL HN 75 VAL HA 2.80 (# 264:25 Unique 2.17, 2.22 A
)
&rst
ixpk= 264, nxpk= 25, iat=1115,1101, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 95 ILE HN 75 VAL HA 3.50 (# 265:25 Unique 2.35, 2.49 A
)
&rst
ixpk= 265, nxpk= 25, iat=1394,1101, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 75 VAL HB 75 VAL HA 3.50 (# 266:25 Unique 2.19, 2.33 A
)
&rst
ixpk= 266, nxpk= 25, iat=1103,1101, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 95 ILE HB 75 VAL HA 2.80 (# 267:25 Unique 2.28, 2.59 A
)
&rst
ixpk= 267, nxpk= 25, iat=1398,1101, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 75 VAL MGX 75 VAL HA 3.50 (# 268:25 Unique 2.34, 3.60 A
)
&rst
ixpk= 268, nxpk= 25, iat= -1,1101, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1105,1106,1107,1109,1110,1111,
&end
#
# 75 VAL MGY 75 VAL HA 2.80 (# 269:25 Unique 2.34, 3.60 A
)
&rst
ixpk= 269, nxpk= 25, iat= -1,1101, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1105,1106,1107,1109,1110,1111,
&end
#
# 95 ILE HG1- 95 ILE HA 3.50 (# 270:25 Unique 2.27, 2.74 A
)
&rst
ixpk= 270, nxpk= 25, iat= -1,1396, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1404,1405,
&end
#
# 95 ILE HN 95 ILE HA 3.50 (# 271:25 Unique 2.98, 3.00 A
)
&rst
ixpk= 271, nxpk= 25, iat=1394,1396, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 95 ILE QG2 95 ILE HA 2.80 (# 272:25 Unique 2.59, 3.21 A
)
&rst
ixpk= 272, nxpk= 25, iat= -1,1396, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1400,1401,1402,
&end
#
# 110 GLU HG+ 110 GLU HA 2.80 (# 273:25 Unique 2.31, 2.92 A
)
&rst
ixpk= 273, nxpk= 25, iat= -1,1629, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1634,1635,
&end
#
# 17 MET HN 17 MET HA 3.50 (# 274:25 Unique 2.84, 2.86 A
)
&rst
ixpk= 274, nxpk= 25, iat= 279, 281, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 17 MET HG+ 17 MET HA 3.50 (# 275:25 Unique 2.19, 2.68 A
)
&rst
ixpk= 275, nxpk= 25, iat= -1, 281, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 286, 287,
&end
#
# 17 MET HG- 17 MET HA 2.80 (# 276:25 Unique 2.19, 2.68 A
)
&rst
ixpk= 276, nxpk= 25, iat= -1, 281, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 286, 287,
&end
#
# 17 MET HB- 17 MET HA 2.80 (# 277:25 Unique 2.50, 2.80 A
)
&rst
ixpk= 277, nxpk= 25, iat= -1, 281, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 283, 284,
&end
#
# 50 MET ME 17 MET HA 3.50 (# 278:25 Unique 3.37, 4.27 A
)
&rst
ixpk= 278, nxpk= 25, iat= -1, 281, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 755, 756, 757,
&end
#
# 62 SER HN 61 THR HA 2.80 (# 279:25 Unique 2.17, 2.44 A
)
&rst
ixpk= 279, nxpk= 25, iat= 913, 901, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 61 THR MG2 61 THR HA 2.80 (# 280:25 Unique 2.27, 3.04 A
)
&rst
ixpk= 280, nxpk= 25, iat= -1, 901, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 905, 906, 907,
&end
#
# 90 TRP HN 90 TRP HA 2.80 (# 281:25 Unique 2.80, 2.82 A
)
&rst
ixpk= 281, nxpk= 25, iat=1308,1310, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 90 TRP HB- 90 TRP HA 3.50 (# 282:25 Unique 2.37, 2.75 A
)
&rst
ixpk= 282, nxpk= 25, iat= -1,1310, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1312,1313,
&end
#
# 76 VAL MGX 90 TRP HA 3.50 (# 283:25 Unique 2.50, 4.16 A
)
&rst
ixpk= 283, nxpk= 25, iat= -1,1310, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1121,1122,1123,1125,1126,1127,
&end
#
# 110 GLU HN 110 GLU HA 2.80 (# 284:25 Unique 2.77, 2.83 A
)
&rst
ixpk= 284, nxpk= 25, iat=1627,1629, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 51 GLU HN 51 GLU HA 3.50 (# 286:25 Unique 2.76, 2.82 A
)
&rst
ixpk= 286, nxpk= 25, iat= 761, 763, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 55 ILE HN 51 GLU HA 2.80 (# 287:25 Unique 2.62, 2.77 A
)
&rst
ixpk= 287, nxpk= 25, iat= 814, 763, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 51 GLU HG+ 51 GLU HA 3.50 (# 289:25 Unique 2.31, 2.72 A
)
&rst
ixpk= 289, nxpk= 25, iat= -1, 763, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 768, 769,
&end
#
# 0 AMB 25-2:290 51 GLU HA 2.80 (# 290:25 Single Ambig
)
&rst
ixpk= 290, nxpk= 25, iat= -1, 763, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 768, 769, 765, 766,
&end
#
# 35 CYS HN 7 VAL HA 3.50 (# 291:25 Unique 2.55, 2.74 A
)
&rst
ixpk= 291, nxpk= 25, iat= 529, 120, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 8 CYS HN 7 VAL HA 2.80 (# 292:25 Unique 2.19, 2.26 A
)
&rst
ixpk= 292, nxpk= 25, iat= 134, 120, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 25-2:293 7 VAL HA 3.50 (# 293:25 Single Ambig
)
&rst
ixpk= 293, nxpk= 25, iat= -1, 120, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 122, 88, 89,
&end
#
# 7 VAL MGY 7 VAL HA 2.80 (# 294:25 Unique 2.38, 3.20 A
)
&rst
ixpk= 294, nxpk= 25, iat= -1, 120, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 124, 125, 126, 128, 129, 130,
&end
#
# 7 VAL MGX 7 VAL HA 3.50 (# 295:25 Unique 2.38, 3.20 A
)
&rst
ixpk= 295, nxpk= 25, iat= -1, 120, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 124, 125, 126, 128, 129, 130,
&end
#
# 83 GLY HN 82 CYS HA 3.50 (# 296:25 Unique 2.24, 2.75 A
)
&rst
ixpk= 296, nxpk= 25, iat=1209,1200, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 82 CYS HB+ 82 CYS HA 2.80 (# 298:25 Unique 2.34, 2.74 A
)
&rst
ixpk= 298, nxpk= 25, iat= -1,1200, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1202,1203,
&end
#
# 90 TRP HB+ 90 TRP HA 2.80 (# 299:25 Unique 2.37, 2.75 A
)
&rst
ixpk= 299, nxpk= 25, iat= -1,1310, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1312,1313,
&end
#
# 70 ALA MB 90 TRP HA 2.80 (# 300:25 Unique 2.28, 2.69 A
)
&rst
ixpk= 300, nxpk= 25, iat= -1,1310, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1036,1037,1038,
&end
#
# 73 TYR HN 73 TYR HA 2.80 (# 301:25 Unique 2.90, 2.91 A
)
&rst
ixpk= 301, nxpk= 25, iat=1066,1068, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 25-2:302 0 AMB 25-1:302 2.80 (# 302:25 Double Ambig
)
&rst
ixpk= 302, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1074,1083,1332,1348,
igr2=1068,1310,
&end
#
# 19 GLU HN 19 GLU HA 3.50 (# 303:25 Unique 2.83, 2.86 A
)
&rst
ixpk= 303, nxpk= 25, iat= 306, 308, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 6 PHE HE 19 GLU HA 3.50 (# 304:25 Unique 2.89, 4.79 A
)
&rst
ixpk= 304, nxpk= 25, iat= -1, 308, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 108, 112,
&end
#
# 6 PHE HD 19 GLU HA 3.50 (# 305:25 Unique 3.23, 4.93 A
)
&rst
ixpk= 305, nxpk= 25, iat= -1, 308, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 106, 114,
&end
#
# 32 VAL HB 19 GLU HA 4.50 (# 306:25 Unique 4.15, 4.26 A
)
&rst
ixpk= 306, nxpk= 25, iat= 492, 308, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 22 ALA MB 19 GLU HA 3.50 (# 307:25 Unique 2.38, 3.47 A
)
&rst
ixpk= 307, nxpk= 25, iat= -1, 308, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 352, 353, 354,
&end
#
# 32 VAL MGY 19 GLU HA 2.80 (# 308:25 Unique 1.94, 3.50 A
)
&rst
ixpk= 308, nxpk= 25, iat= -1, 308, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 494, 495, 496, 498, 499, 500,
&end
#
# 32 VAL MGX 19 GLU HA 4.50 (# 309:25 Unique 1.94, 3.50 A
)
&rst
ixpk= 309, nxpk= 25, iat= -1, 308, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 494, 495, 496, 498, 499, 500,
&end
#
# 8 CYS HB+ 8 CYS HA 3.50 (# 312:25 Unique 2.28, 2.62 A
)
&rst
ixpk= 312, nxpk= 25, iat= -1, 136, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 138, 139,
&end
#
# 8 CYS HB- 8 CYS HA 3.50 (# 313:25 Unique 2.28, 2.62 A
)
&rst
ixpk= 313, nxpk= 25, iat= -1, 136, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 138, 139,
&end
#
# 12 SER HB- 12 SER HA 3.50 (# 315:25 Unique 2.26, 2.58 A
)
&rst
ixpk= 315, nxpk= 25, iat= -1, 207, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 209, 210,
&end
#
# 12 SER HB+ 12 SER HA 3.50 (# 316:25 Unique 2.26, 2.58 A
)
&rst
ixpk= 316, nxpk= 25, iat= -1, 207, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 209, 210,
&end
#
# 42 VAL HA 12 SER HA 3.50 (# 317:25 Unique 2.09, 2.25 A
)
&rst
ixpk= 317, nxpk= 25, iat= 629, 207, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 74 ASP HN 73 TYR HA 2.80 (# 320:25 Unique 2.12, 2.19 A
)
&rst
ixpk= 320, nxpk= 25, iat=1087,1068, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 73 TYR HB+ 73 TYR HA 2.80 (# 321:25 Unique 2.48, 2.75 A
)
&rst
ixpk= 321, nxpk= 25, iat= -1,1068, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1070,1071,
&end
#
# 0 AMB 25-2:322 73 TYR HA 3.50 (# 322:25 Single Ambig
)
&rst
ixpk= 322, nxpk= 25, iat= -1,1068, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 53, 54, 50, 51,
&end
#
# 89 GLU HG- 89 GLU HA 3.50 (# 324:25 Unique 2.46, 3.15 A
)
&rst
ixpk= 324, nxpk= 25, iat= -1,1295, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1300,1301,
&end
#
# 31 ALA HN 30 ILE HA 2.80 (# 325:25 Unique 2.31, 2.43 A
)
&rst
ixpk= 325, nxpk= 25, iat= 478, 461, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 1 MET HG+ 30 ILE HA 3.50 (# 326:25 Unique 2.06, 2.54 A
)
&rst
ixpk= 326, nxpk= 25, iat= -1, 461, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 11, 12,
&end
#
# 66 GLU HN 66 GLU HA 2.80 (# 329:25 Unique 2.72, 2.79 A
)
&rst
ixpk= 329, nxpk= 25, iat= 969, 971, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 66 GLU HG- 66 GLU HA 2.80 (# 330:25 Unique 2.61, 3.11 A
)
&rst
ixpk= 330, nxpk= 25, iat= -1, 971, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 976, 977,
&end
#
# 52 GLU HN 52 GLU HA 2.80 (# 331:25 Unique 2.83, 2.84 A
)
&rst
ixpk= 331, nxpk= 25, iat= 776, 778, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 52 GLU HG- 52 GLU HA 2.80 (# 332:25 Unique 2.37, 2.96 A
)
&rst
ixpk= 332, nxpk= 25, iat= -1, 778, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 783, 784,
&end
#
# 52 GLU HB- 52 GLU HA 2.80 (# 333:25 Unique 2.42, 2.74 A
)
&rst
ixpk= 333, nxpk= 25, iat= -1, 778, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 780, 781,
&end
#
# 53 VAL HN 52 GLU HA 3.50 (# 334:25 Unique 3.51, 3.52 A
)
&rst
ixpk= 334, nxpk= 25, iat= 791, 778, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 52 GLU HG+ 52 GLU HA 3.50 (# 335:25 Unique 2.37, 2.96 A
)
&rst
ixpk= 335, nxpk= 25, iat= -1, 778, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 783, 784,
&end
#
# 89 GLU HN 89 GLU HA 3.50 (# 336:25 Unique 2.76, 2.84 A
)
&rst
ixpk= 336, nxpk= 25, iat=1293,1295, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 89 GLU HB+ 89 GLU HA 2.80 (# 337:25 Unique 2.30, 2.72 A
)
&rst
ixpk= 337, nxpk= 25, iat= -1,1295, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1297,1298,
&end
#
# 89 GLU HB- 89 GLU HA 2.80 (# 338:25 Unique 2.30, 2.72 A
)
&rst
ixpk= 338, nxpk= 25, iat= -1,1295, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1297,1298,
&end
#
# 0 AMB 25-2:339 30 ILE HA 4.50 (# 339:25 Single Ambig
)
&rst
ixpk= 339, nxpk= 25, iat= -1, 461, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 482, 483, 484,1982,1983,
&end
#
# 2 LYS HN 30 ILE HA 4.50 (# 340:25 Unique 2.37, 2.99 A
)
&rst
ixpk= 340, nxpk= 25, iat= 21, 461, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 30 ILE HN 30 ILE HA 3.50 (# 341:25 Unique 2.91, 2.94 A
)
&rst
ixpk= 341, nxpk= 25, iat= 459, 461, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 30 ILE HB 30 ILE HA 2.80 (# 342:25 Unique 2.22, 2.38 A
)
&rst
ixpk= 342, nxpk= 25, iat= 463, 461, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 30 ILE QG2 30 ILE HA 2.80 (# 343:25 Unique 2.31, 3.12 A
)
&rst
ixpk= 343, nxpk= 25, iat= -1, 461, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 465, 466, 467,
&end
#
# 66 GLU HB+ 66 GLU HA 2.80 (# 345:25 Unique 2.40, 2.74 A
)
&rst
ixpk= 345, nxpk= 25, iat= -1, 971, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 973, 974,
&end
#
# 65 ILE QG2 66 GLU HA 3.50 (# 346:25 Unique 3.05, 4.18 A
)
&rst
ixpk= 346, nxpk= 25, iat= -1, 971, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 956, 957, 958,
&end
#
# 23 LYS HN 23 LYS HA 2.80 (# 347:25 Unique 2.86, 2.87 A
)
&rst
ixpk= 347, nxpk= 25, iat= 358, 360, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 23 LYS HB+ 23 LYS HA 2.80 (# 348:25 Unique 2.31, 2.40 A
)
&rst
ixpk= 348, nxpk= 25, iat= -1, 360, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 362, 363,
&end
#
# 23 LYS HB- 23 LYS HA 2.80 (# 349:25 Unique 2.31, 2.40 A
)
&rst
ixpk= 349, nxpk= 25, iat= -1, 360, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 362, 363,
&end
#
# 32 VAL MGX 23 LYS HA 2.80 (# 350:25 Unique 2.78, 4.74 A
)
&rst
ixpk= 350, nxpk= 25, iat= -1, 360, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 494, 495, 496, 498, 499, 500,
&end
#
# 0 AMB 25-2:351 121 GLU HA 4.50 (# 351:25 Single Ambig
)
&rst
ixpk= 351, nxpk= 25, iat= -1,1820, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1873,1857,
&end
#
# 121 GLU HN 121 GLU HA 2.80 (# 352:25 Unique 2.78, 2.81 A
)
&rst
ixpk= 352, nxpk= 25, iat=1818,1820, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 124 GLU HB+ 121 GLU HA 4.50 (# 353:25 Unique 2.58, 3.61 A
)
&rst
ixpk= 353, nxpk= 25, iat= -1,1820, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1877,1878,
&end
#
# 121 GLU HB+ 121 GLU HA 2.80 (# 354:25 Unique 2.26, 2.64 A
)
&rst
ixpk= 354, nxpk= 25, iat= -1,1820, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1822,1823,
&end
#
# 125 ASN HN 122 ARG HA 3.50 (# 355:25 Unique 2.98, 3.18 A
)
&rst
ixpk= 355, nxpk= 25, iat=1888,1835, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 122 ARG HN 122 ARG HA 3.50 (# 356:25 Unique 2.85, 2.87 A
)
&rst
ixpk= 356, nxpk= 25, iat=1833,1835, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 125 ASN HB+ 122 ARG HA 2.80 (# 357:25 Unique 2.21, 2.67 A
)
&rst
ixpk= 357, nxpk= 25, iat= -1,1835, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1892,1893,
&end
#
# 122 ARG HG+ 122 ARG HA 3.50 (# 358:25 Unique 2.49, 2.79 A
)
&rst
ixpk= 358, nxpk= 25, iat= -1,1835, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1840,1841,
&end
#
# 122 ARG HG- 122 ARG HA 3.50 (# 359:25 Unique 2.49, 2.79 A
)
&rst
ixpk= 359, nxpk= 25, iat= -1,1835, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1840,1841,
&end
#
# 122 ARG HB+ 122 ARG HA 3.50 (# 360:25 Unique 2.37, 2.76 A
)
&rst
ixpk= 360, nxpk= 25, iat= -1,1835, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1837,1838,
&end
#
# 122 ARG HB- 122 ARG HA 2.80 (# 361:25 Unique 2.37, 2.76 A
)
&rst
ixpk= 361, nxpk= 25, iat= -1,1835, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1837,1838,
&end
#
# 112 PHE HD 109 LEU HA 3.50 (# 363:25 Unique 2.56, 4.18 A
)
&rst
ixpk= 363, nxpk= 25, iat= -1,1610, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1666,1674,
&end
#
# 112 PHE HB+ 109 LEU HA 3.50 (# 364:25 Unique 2.10, 2.89 A
)
&rst
ixpk= 364, nxpk= 25, iat= -1,1610, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1662,1663,
&end
#
# 112 PHE HB- 109 LEU HA 3.50 (# 365:25 Unique 2.10, 2.89 A
)
&rst
ixpk= 365, nxpk= 25, iat= -1,1610, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1662,1663,
&end
#
# 109 LEU HB- 109 LEU HA 2.80 (# 366:25 Unique 2.50, 2.78 A
)
&rst
ixpk= 366, nxpk= 25, iat= -1,1610, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1612,1613,
&end
#
# 109 LEU MDY 109 LEU HA 2.80 (# 367:25 Unique 2.14, 3.81 A
)
&rst
ixpk= 367, nxpk= 25, iat= -1,1610, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1617,1618,1619,1621,1622,1623,
&end
#
# 118 GLN HN 118 GLN HA 2.80 (# 368:25 Unique 2.80, 2.82 A
)
&rst
ixpk= 368, nxpk= 25, iat=1763,1765, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 121 GLU HN 118 GLN HA 4.50 (# 369:25 Unique 3.40, 3.65 A
)
&rst
ixpk= 369, nxpk= 25, iat=1818,1765, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 118 GLN HG+ 118 GLN HA 2.80 (# 370:25 Unique 2.27, 2.94 A
)
&rst
ixpk= 370, nxpk= 25, iat= -1,1765, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1770,1771,
&end
#
# 118 GLN HG- 118 GLN HA 2.80 (# 371:25 Unique 2.27, 2.94 A
)
&rst
ixpk= 371, nxpk= 25, iat= -1,1765, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1770,1771,
&end
#
# 0 AMB 25-2:372 118 GLN HA 2.80 (# 372:25 Single Ambig
)
&rst
ixpk= 372, nxpk= 25, iat= -1,1765, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1822,1823,1767,1768,
&end
#
# 129 LYS HB+ 129 LYS HA 2.80 (# 373:25 Unique 2.47, 2.76 A
)
&rst
ixpk= 373, nxpk= 25, iat= -1,1952, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1954,1955,
&end
#
# 129 LYS HG+ 129 LYS HA 2.80 (# 374:25 Unique 2.55, 2.78 A
)
&rst
ixpk= 374, nxpk= 25, iat= -1,1952, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1957,1958,
&end
#
# 126 LEU HN 126 LEU HA 3.50 (# 375:25 Unique 2.83, 2.85 A
)
&rst
ixpk= 375, nxpk= 25, iat=1902,1904, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 126 LEU HB+ 126 LEU HA 3.50 (# 376:25 Unique 2.16, 2.42 A
)
&rst
ixpk= 376, nxpk= 25, iat= -1,1904, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1906,1907,
&end
#
# 0 AMB 25-2:377 126 LEU HA 2.80 (# 377:25 Single Ambig
)
&rst
ixpk= 377, nxpk= 25, iat= -1,1904, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1906,1907,1954,1955,
&end
#
# 0 AMB 25-2:378 126 LEU HA 4.50 (# 378:25 Single Ambig
)
&rst
ixpk= 378, nxpk= 25, iat= -1,1904, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1960,1961,1960,1961,
&end
#
# 0 AMB 25-2:379 126 LEU HA 4.50 (# 379:25 Single Ambig
)
&rst
ixpk= 379, nxpk= 25, iat= -1,1904, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1957,1958,1909,
&end
#
# 0 AMB 25-2:380 126 LEU HA 3.50 (# 380:25 Single Ambig
)
&rst
ixpk= 380, nxpk= 25, iat= -1,1904, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1911,1912,1913,1915,1916,1917,1911,1912,1913,1915,
1916,1917,
&end
#
# 40 SER HN 39 SER HA 2.80 (# 384:25 Unique 2.06, 2.25 A
)
&rst
ixpk= 384, nxpk= 25, iat= 592, 583, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 39 SER HN 39 SER HA 3.50 (# 385:25 Unique 2.90, 2.95 A
)
&rst
ixpk= 385, nxpk= 25, iat= 581, 583, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 39 SER HB+ 39 SER HA 2.80 (# 386:25 Unique 2.30, 2.53 A
)
&rst
ixpk= 386, nxpk= 25, iat= -1, 583, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 585, 586,
&end
#
# 39 SER HB- 39 SER HA 2.80 (# 387:25 Unique 2.30, 2.53 A
)
&rst
ixpk= 387, nxpk= 25, iat= -1, 583, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 585, 586,
&end
#
# 0 AMB 25-2:388 0 AMB 25-1:388 2.80 (# 388:25 Double Ambig
)
&rst
ixpk= 388, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.11, r4= 4.86,
igr1= 554, 551, 552, 269, 270,
igr2= 549, 264,
&end
#
# 65 ILE QG2 37 LEU HA 2.80 (# 389:25 Unique 2.14, 3.09 A
)
&rst
ixpk= 389, nxpk= 25, iat= -1, 549, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 956, 957, 958,
&end
#
# 37 LEU MDY 37 LEU HA 2.80 (# 390:25 Unique 2.14, 3.87 A
)
&rst
ixpk= 390, nxpk= 25, iat= -1, 549, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 556, 557, 558, 560, 561, 562,
&end
#
# 35 CYS HN 34 SER HA 2.80 (# 391:25 Unique 2.26, 2.35 A
)
&rst
ixpk= 391, nxpk= 25, iat= 529, 520, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 34 SER HN 34 SER HA 3.50 (# 392:25 Unique 2.93, 2.95 A
)
&rst
ixpk= 392, nxpk= 25, iat= 518, 520, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 6 PHE HN 34 SER HA 3.50 (# 393:25 Unique 2.05, 2.39 A
)
&rst
ixpk= 393, nxpk= 25, iat= 98, 520, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 34 SER HB+ 34 SER HA 3.50 (# 394:25 Unique 2.31, 2.47 A
)
&rst
ixpk= 394, nxpk= 25, iat= -1, 520, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 522, 523,
&end
#
# 34 SER HB- 34 SER HA 3.50 (# 395:25 Unique 2.31, 2.47 A
)
&rst
ixpk= 395, nxpk= 25, iat= -1, 520, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 522, 523,
&end
#
# 41 ARG HN 40 SER HA 3.50 (# 396:25 Unique 2.25, 2.49 A
)
&rst
ixpk= 396, nxpk= 25, iat= 603, 594, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 40 SER HN 40 SER HA 3.50 (# 397:25 Unique 2.84, 2.89 A
)
&rst
ixpk= 397, nxpk= 25, iat= 592, 594, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 40 SER HB+ 40 SER HA 2.80 (# 398:25 Unique 2.48, 2.81 A
)
&rst
ixpk= 398, nxpk= 25, iat= -1, 594, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 596, 597,
&end
#
# 60 GLN HE2- 16 GLN HA 3.50 (# 399:25 Unique 3.12, 3.51 A
)
&rst
ixpk= 399, nxpk= 25, iat= -1, 264, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 894, 895,
&end
#
# 16 GLN HG+ 16 GLN HA 3.50 (# 400:25 Unique 2.55, 3.18 A
)
&rst
ixpk= 400, nxpk= 25, iat= -1, 264, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 269, 270,
&end
#
# 0 AMB 25-2:401 0 AMB 25-1:401 2.80 (# 401:25 Double Ambig
)
&rst
ixpk= 401, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 551, 552, 266, 267,
igr2= 549, 264,
&end
#
# 69 ASN HN 68 PHE HA 2.80 (# 402:25 Unique 2.48, 2.53 A
)
&rst
ixpk= 402, nxpk= 25, iat=1018,1000, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 68 PHE HD 68 PHE HA 3.50 (# 403:25 Unique 2.72, 3.56 A
)
&rst
ixpk= 403, nxpk= 25, iat= -1,1000, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1006,1014,
&end
#
# 68 PHE HB+ 68 PHE HA 3.50 (# 404:25 Unique 2.39, 2.73 A
)
&rst
ixpk= 404, nxpk= 25, iat= -1,1000, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1002,1003,
&end
#
# 29 LYS HN 29 LYS HA 3.50 (# 405:25 Unique 2.96, 2.96 A
)
&rst
ixpk= 405, nxpk= 25, iat= 437, 439, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 30 ILE HN 29 LYS HA 4.50 (# 406:25 Unique 3.44, 3.47 A
)
&rst
ixpk= 406, nxpk= 25, iat= 459, 439, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:407 29 LYS HA 2.80 (# 407:25 Single Ambig
)
&rst
ixpk= 407, nxpk= 25, iat= -1, 439, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
igr1= 441, 442, 15, 16, 17,
&end
#
# 29 LYS HB- 29 LYS HA 2.80 (# 408:25 Unique 2.29, 2.39 A
)
&rst
ixpk= 408, nxpk= 25, iat= -1, 439, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 441, 442,
&end
#
# 29 LYS HG+ 29 LYS HA 3.50 (# 409:25 Unique 3.64, 3.97 A
)
&rst
ixpk= 409, nxpk= 25, iat= -1, 439, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 444, 445,
&end
#
# 68 PHE HB- 68 PHE HA 3.50 (# 411:25 Unique 2.39, 2.73 A
)
&rst
ixpk= 411, nxpk= 25, iat= -1,1000, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1002,1003,
&end
#
# 25 LEU HN 25 LEU HA 2.80 (# 412:25 Unique 2.86, 2.86 A
)
&rst
ixpk= 412, nxpk= 25, iat= 394, 396, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 25 LEU MDY 25 LEU HA 2.80 (# 413:25 Unique 2.22, 3.88 A
)
&rst
ixpk= 413, nxpk= 25, iat= -1, 396, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 403, 404, 405, 407, 408, 409,
&end
#
# 105 ASP HN 105 ASP HA 3.50 (# 414:25 Unique 2.81, 2.83 A
)
&rst
ixpk= 414, nxpk= 25, iat=1561,1563, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 106 GLY HN 105 ASP HA 2.80 (# 415:25 Unique 2.13, 2.21 A
)
&rst
ixpk= 415, nxpk= 25, iat=1573,1563, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 105 ASP HB+ 105 ASP HA 3.50 (# 417:25 Unique 2.36, 2.74 A
)
&rst
ixpk= 417, nxpk= 25, iat= -1,1563, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1565,1566,
&end
#
# 105 ASP HB- 105 ASP HA 3.50 (# 418:25 Unique 2.36, 2.74 A
)
&rst
ixpk= 418, nxpk= 25, iat= -1,1563, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1565,1566,
&end
#
# 97 GLU HN 96 PHE HA 2.80 (# 420:25 Unique 2.16, 2.22 A
)
&rst
ixpk= 420, nxpk= 25, iat=1433,1415, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 96 PHE HD 96 PHE HA 3.50 (# 421:25 Unique 2.65, 3.55 A
)
&rst
ixpk= 421, nxpk= 25, iat= -1,1415, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1421,1429,
&end
#
# 96 PHE HB+ 96 PHE HA 3.50 (# 423:25 Unique 2.42, 2.75 A
)
&rst
ixpk= 423, nxpk= 25, iat= -1,1415, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1417,1418,
&end
#
# 77 ILE HN 6 PHE HA 3.50 (# 424:25 Unique 2.77, 3.06 A
)
&rst
ixpk= 424, nxpk= 25, iat=1131, 100, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 6 PHE HD 6 PHE HA 3.50 (# 425:25 Unique 2.81, 3.51 A
)
&rst
ixpk= 425, nxpk= 25, iat= -1, 100, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 106, 114,
&end
#
# 6 PHE HB- 6 PHE HA 2.80 (# 426:25 Unique 2.39, 2.71 A
)
&rst
ixpk= 426, nxpk= 25, iat= -1, 100, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 102, 103,
&end
#
# 0 AMB 25-2:427 0 AMB 25-1:427 2.80 (# 427:25 Double Ambig
)
&rst
ixpk= 427, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 398, 399, 610, 611,
igr2= 396, 645,
&end
#
# 0 AMB 25-2:428 0 AMB 25-1:428 2.80 (# 428:25 Double Ambig
)
&rst
ixpk= 428, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.11, r4= 4.86,
igr1= 401, 664, 665, 664, 665,
igr2= 396, 645,
&end
#
# 0 AMB 25-2:429 0 AMB 25-1:429 3.50 (# 429:25 Double Ambig
)
&rst
ixpk= 429, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
igr1= 610, 611, 386, 387, 388,
igr2= 645, 396,
&end
#
# 36 GLY HN 35 CYS HA 3.50 (# 430:25 Unique 2.41, 2.62 A
)
&rst
ixpk= 430, nxpk= 25, iat= 540, 531, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 63 ASP HB- 35 CYS HA 3.50 (# 431:25 Unique 2.97, 4.20 A
)
&rst
ixpk= 431, nxpk= 25, iat= -1, 531, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 928, 929,
&end
#
# 35 CYS HB+ 35 CYS HA 2.80 (# 432:25 Unique 2.38, 2.63 A
)
&rst
ixpk= 432, nxpk= 25, iat= -1, 531, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 533, 534,
&end
#
# 35 CYS HB- 35 CYS HA 2.80 (# 433:25 Unique 2.38, 2.63 A
)
&rst
ixpk= 433, nxpk= 25, iat= -1, 531, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 533, 534,
&end
#
# 49 MET HN 49 MET HA 3.50 (# 434:25 Unique 2.81, 2.83 A
)
&rst
ixpk= 434, nxpk= 25, iat= 727, 729, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 52 GLU HN 49 MET HA 4.50 (# 435:25 Unique 3.34, 3.55 A
)
&rst
ixpk= 435, nxpk= 25, iat= 776, 729, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 49 MET HG+ 49 MET HA 3.50 (# 436:25 Unique 2.85, 3.47 A
)
&rst
ixpk= 436, nxpk= 25, iat= -1, 729, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 734, 735,
&end
#
# 0 AMB 25-2:437 49 MET HA 3.50 (# 437:25 Single Ambig
)
&rst
ixpk= 437, nxpk= 25, iat= -1, 729, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 783, 784, 731, 732,
&end
#
# 0 AMB 25-2:438 49 MET HA 4.50 (# 438:25 Single Ambig
)
&rst
ixpk= 438, nxpk= 25, iat= -1, 729, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 780, 781, 765, 766, 751, 752,
&end
#
# 49 MET ME 49 MET HA 2.80 (# 439:25 Unique 2.07, 3.26 A
)
&rst
ixpk= 439, nxpk= 25, iat= -1, 729, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 738, 739, 740,
&end
#
# 49 MET HB+ 49 MET HA 3.50 (# 440:25 Unique 2.30, 2.78 A
)
&rst
ixpk= 440, nxpk= 25, iat= -1, 729, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 731, 732,
&end
#
# 52 GLU HG+ 49 MET HA 3.50 (# 441:25 Unique 2.11, 3.05 A
)
&rst
ixpk= 441, nxpk= 25, iat= -1, 729, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 783, 784,
&end
#
# 44 PRO HD- 43 HIS HA 2.80 (# 442:25 Unique 2.24, 2.56 A
)
&rst
ixpk= 442, nxpk= 25, iat= -1, 645, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 661, 662,
&end
#
# 0 AMB 25-2:443 43 HIS HA 2.80 (# 443:25 Single Ambig
)
&rst
ixpk= 443, nxpk= 25, iat= -1, 645, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 661, 662, 647, 648,
&end
#
# 102 GLU HN 102 GLU HA 2.80 (# 444:25 Unique 2.83, 2.85 A
)
&rst
ixpk= 444, nxpk= 25, iat=1520,1522, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 103 ASP HN 102 GLU HA 2.80 (# 445:25 Unique 2.13, 2.21 A
)
&rst
ixpk= 445, nxpk= 25, iat=1535,1522, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 25-2:446 0 AMB 25-1:446 3.50 (# 446:25 Double Ambig
)
&rst
ixpk= 446, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 286, 287,1539,1540,
igr2= 690,1522,
&end
#
# 102 GLU HG+ 102 GLU HA 2.80 (# 447:25 Unique 2.42, 2.85 A
)
&rst
ixpk= 447, nxpk= 25, iat= -1,1522, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1527,1528,
&end
#
# 4 VAL HN 3 LYS HA 2.80 (# 448:25 Unique 2.04, 2.10 A
)
&rst
ixpk= 448, nxpk= 25, iat= 65, 45, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 31 ALA HN 3 LYS HA 2.80 (# 449:25 Unique 2.44, 2.53 A
)
&rst
ixpk= 449, nxpk= 25, iat= 478, 45, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 3 LYS HG- 3 LYS HA 2.80 (# 450:25 Unique 2.31, 2.40 A
)
&rst
ixpk= 450, nxpk= 25, iat= -1, 45, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 50, 51,
&end
#
# 31 ALA MB 3 LYS HA 3.50 (# 451:25 Unique 2.93, 4.06 A
)
&rst
ixpk= 451, nxpk= 25, iat= -1, 45, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 482, 483, 484,
&end
#
# 125 ASN HN 125 ASN HA 2.80 (# 454:25 Unique 2.81, 2.82 A
)
&rst
ixpk= 454, nxpk= 25, iat=1888,1890, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 128 ALA HN 125 ASN HA 3.50 (# 455:25 Unique 3.29, 3.46 A
)
&rst
ixpk= 455, nxpk= 25, iat=1940,1890, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 60 GLN HN 60 GLN HA 3.50 (# 456:25 Unique 2.90, 2.92 A
)
&rst
ixpk= 456, nxpk= 25, iat= 882, 884, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 125 ASN HB- 125 ASN HA 2.80 (# 457:25 Unique 2.54, 2.84 A
)
&rst
ixpk= 457, nxpk= 25, iat= -1,1890, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1892,1893,
&end
#
# 0 AMB 25-2:458 60 GLN HA 2.80 (# 458:25 Single Ambig
)
&rst
ixpk= 458, nxpk= 25, iat= -1, 884, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 886, 887, 889, 890,
&end
#
# 60 GLN HG- 60 GLN HA 3.50 (# 459:25 Unique 2.41, 3.71 A
)
&rst
ixpk= 459, nxpk= 25, iat= -1, 884, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 889, 890,
&end
#
# 0 AMB 25-2:460 0 AMB 25-1:460 2.80 (# 460:25 Double Ambig
)
&rst
ixpk= 460, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.35, r4= 5.10,
igr1= 31, 32, 25, 26,1944,1945,1946,
igr2= 23,1890,
&end
#
# 3 LYS HN 2 LYS HA 2.80 (# 461:25 Unique 2.21, 2.29 A
)
&rst
ixpk= 461, nxpk= 25, iat= 43, 23, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 49 MET HN 46 ALA HA 3.50 (# 462:25 Unique 3.37, 3.47 A
)
&rst
ixpk= 462, nxpk= 25, iat= 727, 690, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 46 ALA HN 46 ALA HA 3.50 (# 463:25 Unique 2.82, 2.86 A
)
&rst
ixpk= 463, nxpk= 25, iat= 688, 690, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 22 ALA MB 22 ALA HA 2.80 (# 465:25 Unique 2.41, 2.66 A
)
&rst
ixpk= 465, nxpk= 25, iat= -1, 350, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 352, 353, 354,
&end
#
# 49 MET HB- 46 ALA HA 3.50 (# 466:25 Unique 2.32, 3.59 A
)
&rst
ixpk= 466, nxpk= 25, iat= -1, 690, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 731, 732,
&end
#
# 3 LYS HN 3 LYS HA 3.50 (# 468:25 Unique 2.84, 2.94 A
)
&rst
ixpk= 468, nxpk= 25, iat= 43, 45, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:469 3 LYS HA 2.80 (# 469:25 Single Ambig
)
&rst
ixpk= 469, nxpk= 25, iat= -1, 45, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 47, 48, 25, 26,
&end
#
# 74 ASP HB+ 74 ASP HA 2.80 (# 470:25 Unique 2.44, 2.76 A
)
&rst
ixpk= 470, nxpk= 25, iat= -1,1089, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1091,1092,
&end
#
# 0 AMB 25-2:471 74 ASP HA 2.80 (# 471:25 Single Ambig
)
&rst
ixpk= 471, nxpk= 25, iat= -1,1089, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1091,1092,1366,1367,
&end
#
# 126 LEU HN 125 ASN HA 3.50 (# 474:25 Unique 3.56, 3.58 A
)
&rst
ixpk= 474, nxpk= 25, iat=1902,1890, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:475 0 AMB 25-1:475 2.80 (# 475:25 Double Ambig
)
&rst
ixpk= 475, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 21, 899,
igr2= 6, 884,
&end
#
# 1 MET HB- 1 MET HA 2.80 (# 476:25 Unique 2.35, 2.74 A
)
&rst
ixpk= 476, nxpk= 25, iat= -1, 6, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 8, 9,
&end
#
# 0 AMB 25-2:477 0 AMB 25-1:477 4.50 (# 477:25 Double Ambig
)
&rst
ixpk= 477, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 465, 466, 467,1400,1401,1402,
igr2= 6,1133,
&end
#
# 97 GLU HN 77 ILE HA 3.50 (# 478:25 Unique 2.54, 2.68 A
)
&rst
ixpk= 478, nxpk= 25, iat=1433,1133, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 101 LEU HN 100 GLN HA 2.80 (# 479:25 Unique 2.14, 2.20 A
)
&rst
ixpk= 479, nxpk= 25, iat=1501,1486, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 100 GLN HB+ 100 GLN HA 2.80 (# 480:25 Unique 2.40, 2.75 A
)
&rst
ixpk= 480, nxpk= 25, iat= -1,1486, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1488,1489,
&end
#
# 22 ALA HN 22 ALA HA 3.50 (# 481:25 Unique 2.75, 2.78 A
)
&rst
ixpk= 481, nxpk= 25, iat= 348, 350, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:482 0 AMB 25-1:482 3.50 (# 482:25 Double Ambig
)
&rst
ixpk= 482, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1668,1672, 413,
igr2= 690, 350,
&end
#
# 0 AMB 25-2:483 22 ALA HA 2.80 (# 483:25 Single Ambig
)
&rst
ixpk= 483, nxpk= 25, iat= -1, 350, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1863,1864,1865,1867,1868,1869, 403, 404, 405, 407,
408, 409,
&end
#
# 127 ILE QD1 22 ALA HA 2.80 (# 484:25 Unique 2.30, 3.23 A
)
&rst
ixpk= 484, nxpk= 25, iat= -1, 350, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1934,1935,1936,
&end
#
# 18 ALA HN 18 ALA HA 3.50 (# 485:25 Unique 2.78, 2.81 A
)
&rst
ixpk= 485, nxpk= 25, iat= 296, 298, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 21 PHE HD 18 ALA HA 3.50 (# 486:25 Unique 2.16, 4.32 A
)
&rst
ixpk= 486, nxpk= 25, iat= -1, 298, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 336, 344,
&end
#
# 123 VAL MGY 18 ALA HA 2.80 (# 487:25 Unique 2.22, 4.08 A
)
&rst
ixpk= 487, nxpk= 25, iat= -1, 298, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1863,1864,1865,1867,1868,1869,
&end
#
# 119 VAL MGX 18 ALA HA 2.80 (# 488:25 Unique 2.36, 4.45 A
)
&rst
ixpk= 488, nxpk= 25, iat= -1, 298, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1786,1787,1788,1790,1791,1792,
&end
#
# 18 ALA MB 18 ALA HA 2.80 (# 489:25 Unique 2.29, 2.64 A
)
&rst
ixpk= 489, nxpk= 25, iat= -1, 298, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 300, 301, 302,
&end
#
# 79 LEU HN 78 SER HA 2.80 (# 492:25 Unique 2.14, 2.22 A
)
&rst
ixpk= 492, nxpk= 25, iat=1161,1152, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 78 SER HB- 78 SER HA 3.50 (# 493:25 Unique 2.37, 2.73 A
)
&rst
ixpk= 493, nxpk= 25, iat= -1,1152, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1154,1155,
&end
#
# 63 ASP HN 62 SER HA 2.80 (# 494:25 Unique 2.30, 2.40 A
)
&rst
ixpk= 494, nxpk= 25, iat= 924, 915, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 62 SER HB- 62 SER HA 3.50 (# 495:25 Unique 2.27, 2.47 A
)
&rst
ixpk= 495, nxpk= 25, iat= -1, 915, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 917, 918,
&end
#
# 77 ILE QD1 77 ILE HA 2.80 (# 497:25 Unique 2.12, 2.90 A
)
&rst
ixpk= 497, nxpk= 25, iat= -1,1133, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1144,1145,1146,
&end
#
# 77 ILE QG2 77 ILE HA 2.80 (# 498:25 Unique 2.45, 3.27 A
)
&rst
ixpk= 498, nxpk= 25, iat= -1,1133, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1137,1138,1139,
&end
#
# 7 VAL HB 78 SER HA 2.80 (# 499:25 Unique 2.10, 2.36 A
)
&rst
ixpk= 499, nxpk= 25, iat= 122,1152, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 25-2:500 10 ARG HA 2.80 (# 500:25 Single Ambig
)
&rst
ixpk= 500, nxpk= 25, iat= -1, 169, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 171, 172, 570, 571,
&end
#
# 10 ARG HG+ 10 ARG HA 3.50 (# 501:25 Unique 3.46, 3.84 A
)
&rst
ixpk= 501, nxpk= 25, iat= -1, 169, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 174, 175,
&end
#
# 48 ALA HN 48 ALA HA 2.80 (# 502:25 Unique 2.75, 2.79 A
)
&rst
ixpk= 502, nxpk= 25, iat= 717, 719, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 25-2:503 48 ALA HA 2.80 (# 503:25 Single Ambig
)
&rst
ixpk= 503, nxpk= 25, iat= -1, 719, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 765, 766, 765, 766, 768, 769,
&end
#
# 48 ALA MB 48 ALA HA 2.80 (# 504:25 Unique 2.45, 2.66 A
)
&rst
ixpk= 504, nxpk= 25, iat= -1, 719, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 721, 722, 723,
&end
#
# 47 ILE QG2 48 ALA HA 3.50 (# 505:25 Unique 3.48, 4.67 A
)
&rst
ixpk= 505, nxpk= 25, iat= -1, 719, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 704, 705, 706,
&end
#
# 72 ASP HB+ 72 ASP HA 2.80 (# 506:25 Unique 2.46, 2.76 A
)
&rst
ixpk= 506, nxpk= 25, iat= -1,1056, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1058,1059,
&end
#
# 72 ASP HB- 72 ASP HA 2.80 (# 507:25 Unique 2.46, 2.76 A
)
&rst
ixpk= 507, nxpk= 25, iat= -1,1056, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1058,1059,
&end
#
# 0 AMB 25-2:509 50 MET HA 3.50 (# 509:25 Single Ambig
)
&rst
ixpk= 509, nxpk= 25, iat= -1, 746, r1= 0.00, r2= 1.80, r3= 4.84, r4= 5.59,
igr1= 797, 798, 799, 801, 802, 803, 818,
&end
#
# 0 AMB 25-2:510 71 ASP HA 3.50 (# 510:25 Single Ambig
)
&rst
ixpk= 510, nxpk= 25, iat= -1,1044, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1054,1066,
&end
#
# 71 ASP HN 71 ASP HA 2.80 (# 511:25 Unique 2.81, 2.82 A
)
&rst
ixpk= 511, nxpk= 25, iat=1042,1044, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 93 GLN HE2+ 71 ASP HA 3.50 (# 512:25 Unique 2.75, 4.18 A
)
&rst
ixpk= 512, nxpk= 25, iat= -1,1044, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1374,1375,
&end
#
# 71 ASP HB+ 71 ASP HA 2.80 (# 513:25 Unique 2.45, 2.75 A
)
&rst
ixpk= 513, nxpk= 25, iat= -1,1044, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1046,1047,
&end
#
# 71 ASP HB- 71 ASP HA 2.80 (# 514:25 Unique 2.45, 2.75 A
)
&rst
ixpk= 514, nxpk= 25, iat= -1,1044, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1046,1047,
&end
#
# 79 LEU HB+ 79 LEU HA 3.50 (# 515:25 Unique 2.34, 2.72 A
)
&rst
ixpk= 515, nxpk= 25, iat= -1,1163, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1165,1166,
&end
#
# 14 ARG HB- 79 LEU HA 5.50 (# 516:25 Unique 4.50, 4.91 A
)
&rst
ixpk= 516, nxpk= 25, iat= -1,1163, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 231, 232,
&end
#
# 79 LEU HG 79 LEU HA 3.50 (# 517:25 Unique 2.53, 2.72 A
)
&rst
ixpk= 517, nxpk= 25, iat=1168,1163, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 98 ASP HN 97 GLU HA 2.80 (# 518:25 Unique 2.25, 2.33 A
)
&rst
ixpk= 518, nxpk= 25, iat=1448,1435, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 97 GLU HG- 97 GLU HA 2.80 (# 519:25 Unique 2.30, 2.74 A
)
&rst
ixpk= 519, nxpk= 25, iat= -1,1435, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1440,1441,
&end
#
# 0 AMB 25-2:520 97 GLU HA 2.80 (# 520:25 Single Ambig
)
&rst
ixpk= 520, nxpk= 25, iat= -1,1435, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1440,1441,1437,1438,
&end
#
# 97 GLU HB- 97 GLU HA 2.80 (# 521:25 Unique 2.57, 2.83 A
)
&rst
ixpk= 521, nxpk= 25, iat= -1,1435, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1437,1438,
&end
#
# 0 AMB 25-2:522 128 ALA HA 2.80 (# 522:25 Single Ambig
)
&rst
ixpk= 522, nxpk= 25, iat= -1,1942, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1940,1972,
&end
#
# 70 ALA HN 70 ALA HA 3.50 (# 523:25 Unique 2.77, 2.82 A
)
&rst
ixpk= 523, nxpk= 25, iat=1032,1034, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:524 70 ALA HA 5.50 (# 524:25 Single Ambig
)
&rst
ixpk= 524, nxpk= 25, iat= -1,1034, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1066,1054,
&end
#
# 0 AMB 25-2:525 70 ALA HA 3.50 (# 525:25 Single Ambig
)
&rst
ixpk= 525, nxpk= 25, iat= -1,1034, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1042,1321,
&end
#
# 69 ASN HD2+ 70 ALA HA 4.50 (# 526:25 Unique 4.36, 5.37 A
)
&rst
ixpk= 526, nxpk= 25, iat= -1,1034, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1027,1028,
&end
#
# 70 ALA MB 70 ALA HA 2.80 (# 527:25 Unique 2.38, 2.64 A
)
&rst
ixpk= 527, nxpk= 25, iat= -1,1034, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1036,1037,1038,
&end
#
# 39 SER HN 38 GLU HA 3.50 (# 529:25 Unique 2.31, 2.39 A
)
&rst
ixpk= 529, nxpk= 25, iat= 581, 568, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 66 GLU HG- 38 GLU HA 4.50 (# 530:25 Unique 4.69, 5.27 A
)
&rst
ixpk= 530, nxpk= 25, iat= -1, 568, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 976, 977,
&end
#
# 0 AMB 25-2:531 38 GLU HA 2.80 (# 531:25 Single Ambig
)
&rst
ixpk= 531, nxpk= 25, iat= -1, 568, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 573, 574, 570, 571,
&end
#
# 38 GLU HB- 38 GLU HA 2.80 (# 532:25 Unique 2.49, 2.80 A
)
&rst
ixpk= 532, nxpk= 25, iat= -1, 568, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 570, 571,
&end
#
# 128 ALA MB 128 ALA HA 2.80 (# 533:25 Unique 2.41, 2.66 A
)
&rst
ixpk= 533, nxpk= 25, iat= -1,1942, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1944,1945,1946,
&end
#
# 127 ILE QG2 128 ALA HA 3.50 (# 534:25 Unique 3.44, 4.52 A
)
&rst
ixpk= 534, nxpk= 25, iat= -1,1942, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1927,1928,1929,
&end
#
# 94 GLU HN 93 GLN HA 2.80 (# 544:25 Unique 2.62, 2.76 A
)
&rst
ixpk= 544, nxpk= 25, iat=1379,1364, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 93 GLN HN 93 GLN HA 3.50 (# 545:25 Unique 2.91, 2.96 A
)
&rst
ixpk= 545, nxpk= 25, iat=1362,1364, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 93 GLN HB+ 93 GLN HA 2.80 (# 546:25 Unique 2.41, 2.76 A
)
&rst
ixpk= 546, nxpk= 25, iat= -1,1364, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1366,1367,
&end
#
# 93 GLN HG- 93 GLN HA 3.50 (# 547:25 Unique 2.45, 3.44 A
)
&rst
ixpk= 547, nxpk= 25, iat= -1,1364, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1369,1370,
&end
#
# 28 GLY HN 27 ALA HA 3.50 (# 548:25 Unique 2.07, 2.12 A
)
&rst
ixpk= 548, nxpk= 25, iat= 430, 422, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 27 ALA HN 27 ALA HA 2.80 (# 549:25 Unique 2.79, 2.81 A
)
&rst
ixpk= 549, nxpk= 25, iat= 420, 422, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 27 ALA MB 27 ALA HA 2.80 (# 551:25 Unique 2.44, 2.68 A
)
&rst
ixpk= 551, nxpk= 25, iat= -1, 422, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 424, 425, 426,
&end
#
# 100 GLN HN 99 TRP HA 3.50 (# 553:25 Unique 2.06, 2.19 A
)
&rst
ixpk= 553, nxpk= 25, iat=1484,1462, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 99 TRP HD1 99 TRP HA 4.50 (# 554:25 Unique 2.39, 2.68 A
)
&rst
ixpk= 554, nxpk= 25, iat=1468,1462, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 99 TRP HB+ 99 TRP HA 3.50 (# 555:25 Unique 2.37, 2.74 A
)
&rst
ixpk= 555, nxpk= 25, iat= -1,1462, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1464,1465,
&end
#
# 99 TRP HB- 99 TRP HA 2.80 (# 556:25 Unique 2.37, 2.74 A
)
&rst
ixpk= 556, nxpk= 25, iat= -1,1462, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1464,1465,
&end
#
# 93 GLN HG+ 93 GLN HA 3.50 (# 557:25 Unique 2.45, 3.44 A
)
&rst
ixpk= 557, nxpk= 25, iat= -1,1364, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1369,1370,
&end
#
# 93 GLN HB- 93 GLN HA 2.80 (# 558:25 Unique 2.41, 2.76 A
)
&rst
ixpk= 558, nxpk= 25, iat= -1,1364, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1366,1367,
&end
#
# 102 GLU HN 101 LEU HA 2.80 (# 560:25 Unique 2.23, 2.33 A
)
&rst
ixpk= 560, nxpk= 25, iat=1520,1503, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 101 LEU HN 101 LEU HA 3.50 (# 561:25 Unique 2.94, 2.96 A
)
&rst
ixpk= 561, nxpk= 25, iat=1501,1503, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 101 LEU HB+ 101 LEU HA 2.80 (# 562:25 Unique 2.58, 2.85 A
)
&rst
ixpk= 562, nxpk= 25, iat= -1,1503, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1505,1506,
&end
#
# 101 LEU MDX 101 LEU HA 2.80 (# 563:25 Unique 2.13, 3.43 A
)
&rst
ixpk= 563, nxpk= 25, iat= -1,1503, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1510,1511,1512,1514,1515,1516,
&end
#
# 67 ASN HN 67 ASN HA 3.50 (# 564:25 Unique 2.89, 2.92 A
)
&rst
ixpk= 564, nxpk= 25, iat= 984, 986, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:565 67 ASN HA 2.80 (# 565:25 Single Ambig
)
&rst
ixpk= 565, nxpk= 25, iat= -1, 986, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 988, 989, 988, 989,
&end
#
# 86 LEU HN 86 LEU HA 3.50 (# 566:25 Unique 2.67, 2.77 A
)
&rst
ixpk= 566, nxpk= 25, iat=1246,1248, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 88 PRO HD+ 86 LEU HA 2.80 (# 567:25 Unique 2.85, 3.63 A
)
&rst
ixpk= 567, nxpk= 25, iat= -1,1248, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1280,1281,
&end
#
# 88 PRO HD- 86 LEU HA 2.80 (# 568:25 Unique 2.85, 3.63 A
)
&rst
ixpk= 568, nxpk= 25, iat= -1,1248, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1280,1281,
&end
#
# 86 LEU HB+ 86 LEU HA 3.50 (# 569:25 Unique 2.36, 2.74 A
)
&rst
ixpk= 569, nxpk= 25, iat= -1,1248, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1250,1251,
&end
#
# 86 LEU HB- 86 LEU HA 2.80 (# 570:25 Unique 2.36, 2.74 A
)
&rst
ixpk= 570, nxpk= 25, iat= -1,1248, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1250,1251,
&end
#
# 86 LEU MDX 86 LEU HA 3.50 (# 571:25 Unique 2.12, 3.81 A
)
&rst
ixpk= 571, nxpk= 25, iat= -1,1248, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1255,1256,1257,1259,1260,1261,
&end
#
# 98 ASP HB+ 98 ASP HA 3.50 (# 572:25 Unique 2.38, 2.72 A
)
&rst
ixpk= 572, nxpk= 25, iat= -1,1450, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1452,1453,
&end
#
# 98 ASP HB- 98 ASP HA 3.50 (# 573:25 Unique 2.38, 2.72 A
)
&rst
ixpk= 573, nxpk= 25, iat= -1,1450, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1452,1453,
&end
#
# 99 TRP HN 98 ASP HA 2.80 (# 574:25 Unique 2.12, 2.18 A
)
&rst
ixpk= 574, nxpk= 25, iat=1460,1450, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 98 ASP HN 98 ASP HA 2.80 (# 575:25 Unique 2.95, 2.95 A
)
&rst
ixpk= 575, nxpk= 25, iat=1448,1450, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 25-2:576 5 MET HA 2.80 (# 576:25 Single Ambig
)
&rst
ixpk= 576, nxpk= 25, iat= -1, 83, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 504, 81,
&end
#
# 6 PHE HN 5 MET HA 2.80 (# 577:25 Unique 2.19, 2.24 A
)
&rst
ixpk= 577, nxpk= 25, iat= 98, 83, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 25-2:578 5 MET HA 2.80 (# 578:25 Single Ambig
)
&rst
ixpk= 578, nxpk= 25, iat= -1, 83, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 85, 86, 88, 89,
&end
#
# 64 PRO HD+ 63 ASP HA 2.80 (# 581:25 Unique 2.28, 2.45 A
)
&rst
ixpk= 581, nxpk= 25, iat= -1, 926, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 937, 938,
&end
#
# 63 ASP HB+ 63 ASP HA 3.50 (# 582:25 Unique 2.62, 2.87 A
)
&rst
ixpk= 582, nxpk= 25, iat= -1, 926, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 928, 929,
&end
#
# 85 ASN HB- 85 ASN HA 2.80 (# 583:25 Unique 2.35, 2.77 A
)
&rst
ixpk= 583, nxpk= 25, iat= -1,1234, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1236,1237,
&end
#
# 85 ASN HB+ 85 ASN HA 2.80 (# 584:25 Unique 2.35, 2.77 A
)
&rst
ixpk= 584, nxpk= 25, iat= -1,1234, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1236,1237,
&end
#
# 5 MET HB- 5 MET HA 3.50 (# 585:25 Unique 2.31, 2.71 A
)
&rst
ixpk= 585, nxpk= 25, iat= -1, 83, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 85, 86,
&end
#
# 69 ASN HN 69 ASN HA 3.50 (# 587:25 Unique 2.90, 2.93 A
)
&rst
ixpk= 587, nxpk= 25, iat=1018,1020, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 70 ALA HN 69 ASN HA 2.80 (# 588:25 Unique 2.14, 2.21 A
)
&rst
ixpk= 588, nxpk= 25, iat=1032,1020, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 69 ASN HB+ 69 ASN HA 2.80 (# 589:25 Unique 2.29, 2.46 A
)
&rst
ixpk= 589, nxpk= 25, iat= -1,1020, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1022,1023,
&end
#
# 69 ASN HB- 69 ASN HA 2.80 (# 590:25 Unique 2.29, 2.46 A
)
&rst
ixpk= 590, nxpk= 25, iat= -1,1020, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1022,1023,
&end
#
# 70 ALA MB 69 ASN HA 4.50 (# 591:25 Unique 4.29, 5.03 A
)
&rst
ixpk= 591, nxpk= 25, iat= -1,1020, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1036,1037,1038,
&end
#
# 32 VAL HN 31 ALA HA 2.80 (# 592:25 Unique 2.14, 2.23 A
)
&rst
ixpk= 592, nxpk= 25, iat= 488, 480, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 31 ALA MB 31 ALA HA 2.80 (# 593:25 Unique 2.41, 2.67 A
)
&rst
ixpk= 593, nxpk= 25, iat= -1, 480, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 482, 483, 484,
&end
#
# 32 VAL MGX 31 ALA HA 4.50 (# 594:25 Unique 3.38, 5.46 A
)
&rst
ixpk= 594, nxpk= 25, iat= -1, 480, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 494, 495, 496, 498, 499, 500,
&end
#
# 0 AMB 25-2:596 44 PRO HD- 2.80 (# 596:25 Single Ambig
)
&rst
ixpk= 596, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 664, 665, 667, 668,
igr2= 661, 662,
&end
#
# 0 AMB 25-2:598 0 AMB 25-1:598 2.80 (# 598:25 Double Ambig
)
&rst
ixpk= 598, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 664, 665, 667, 668,
igr2= 661, 662, 661, 662,
&end
#
# 0 AMB 25-2:600 0 AMB 25-1:600 3.50 (# 600:25 Double Ambig
)
&rst
ixpk= 600, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 943, 944, 988, 989, 988, 989,
igr2= 937, 938, 937, 938, 937, 938,
&end
#
# 0 AMB 25-2:603 0 AMB 25-1:603 2.80 (# 603:25 Double Ambig
)
&rst
ixpk= 603, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1283,1284,1283,1284,
igr2=1280,1281,1280,1281,
&end
#
# 103 ASP HN 103 ASP HA 3.50 (# 604:25 Unique 2.41, 2.53 A
)
&rst
ixpk= 604, nxpk= 25, iat=1535,1537, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 104 PRO HD+ 103 ASP HA 2.80 (# 607:25 Unique 2.10, 2.37 A
)
&rst
ixpk= 607, nxpk= 25, iat= -1,1537, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1548,1549,
&end
#
# 103 ASP HB+ 103 ASP HA 3.50 (# 608:25 Unique 2.33, 2.73 A
)
&rst
ixpk= 608, nxpk= 25, iat= -1,1537, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1539,1540,
&end
#
# 103 ASP HB- 103 ASP HA 3.50 (# 609:25 Unique 2.33, 2.73 A
)
&rst
ixpk= 609, nxpk= 25, iat= -1,1537, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1539,1540,
&end
#
# 63 ASP HA 64 PRO HD+ 2.80 (# 610:25 Unique 2.28, 2.45 A
)
&rst
ixpk= 610, nxpk= 25, iat= 926, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 937, 938,
&end
#
# 0 AMB 25-2:611 0 AMB 25-1:611 2.80 (# 611:25 Double Ambig
)
&rst
ixpk= 611, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 940, 941, 943, 944,
igr2= 937, 938, 937, 938,
&end
#
# 88 PRO HB+ 88 PRO HD+ 2.80 (# 612:25 Unique 2.49, 3.55 A
)
&rst
ixpk= 612, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1286,1287,
igr2=1280,1281,
&end
#
# 86 LEU HA 88 PRO HD+ 2.80 (# 613:25 Unique 2.85, 3.63 A
)
&rst
ixpk= 613, nxpk= 25, iat=1248, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1280,1281,
&end
#
# 86 LEU MDX 88 PRO HD+ 4.50 (# 615:25 Unique 2.62, 5.37 A
)
&rst
ixpk= 615, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1255,1256,1257,1259,1260,1261,
igr2=1280,1281,
&end
#
# 86 LEU HA 88 PRO HD- 2.80 (# 616:25 Unique 2.85, 3.63 A
)
&rst
ixpk= 616, nxpk= 25, iat=1248, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1280,1281,
&end
#
# 88 PRO HB+ 88 PRO HD- 2.80 (# 618:25 Unique 2.49, 3.55 A
)
&rst
ixpk= 618, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1286,1287,
igr2=1280,1281,
&end
#
# 86 LEU HB- 88 PRO HD- 3.50 (# 619:25 Unique 2.01, 3.69 A
)
&rst
ixpk= 619, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1250,1251,
igr2=1280,1281,
&end
#
# 103 ASP HA 104 PRO HD+ 2.80 (# 621:25 Unique 2.10, 2.37 A
)
&rst
ixpk= 621, nxpk= 25, iat=1537, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1548,1549,
&end
#
# 104 PRO HG+ 104 PRO HD+ 3.50 (# 622:25 Unique 2.30, 2.60 A
)
&rst
ixpk= 622, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1551,1552,
igr2=1548,1549,
&end
#
# 104 PRO HG- 104 PRO HD+ 3.50 (# 623:25 Unique 2.30, 2.60 A
)
&rst
ixpk= 623, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1551,1552,
igr2=1548,1549,
&end
#
# 0 AMB 25-2:624 0 AMB 25-1:624 2.80 (# 624:25 Double Ambig
)
&rst
ixpk= 624, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.86, r4= 6.61,
igr1=1722,1723,1724,1726,1727,1728,1722,1723,1724,1726,
1727,1728,1554,1555,
igr2=1548,1549,1548,1549,1548,1549,
&end
#
# 20 GLY HN 20 GLY HA+ 3.50 (# 625:25 Unique 2.27, 2.56 A
)
&rst
ixpk= 625, nxpk= 25, iat= 321, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 323, 324,
&end
#
# 57 ILE QG2 20 GLY HA+ 3.50 (# 627:25 Unique 3.66, 5.22 A
)
&rst
ixpk= 627, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 851, 852, 853,
igr2= 323, 324,
&end
#
# 20 GLY HN 20 GLY HA- 3.50 (# 628:25 Unique 2.27, 2.56 A
)
&rst
ixpk= 628, nxpk= 25, iat= 321, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 323, 324,
&end
#
# 57 ILE QG2 20 GLY HA- 3.50 (# 630:25 Unique 3.66, 5.22 A
)
&rst
ixpk= 630, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 851, 852, 853,
igr2= 323, 324,
&end
#
# 0 AMB 25-2:631 0 AMB 25-1:631 2.80 (# 631:25 Double Ambig
)
&rst
ixpk= 631, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1756,1763,
igr2=1758,1759,1758,1759,
&end
#
# 0 AMB 25-2:633 117 GLY HA- 3.50 (# 633:25 Single Ambig
)
&rst
ixpk= 633, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1800,1801,1806,1807,
igr2=1758,1759,
&end
#
# 0 AMB 25-2:635 117 GLY HA- 2.80 (# 635:25 Single Ambig
)
&rst
ixpk= 635, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1756,1763,
igr2=1758,1759,
&end
#
# 54 GLY HN 54 GLY HA+ 2.80 (# 636:25 Unique 2.36, 2.70 A
)
&rst
ixpk= 636, nxpk= 25, iat= 807, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 809, 810,
&end
#
# 54 GLY HN 54 GLY HA- 2.80 (# 637:25 Unique 2.36, 2.70 A
)
&rst
ixpk= 637, nxpk= 25, iat= 807, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 809, 810,
&end
#
# 68 PHE HE 63 ASP HB+ 3.50 (# 639:25 Unique 2.27, 4.98 A
)
&rst
ixpk= 639, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1008,1012,
igr2= 928, 929,
&end
#
# 63 ASP HA 63 ASP HB+ 3.50 (# 640:25 Unique 2.62, 2.87 A
)
&rst
ixpk= 640, nxpk= 25, iat= 926, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 928, 929,
&end
#
# 68 PHE HE 63 ASP HB- 3.50 (# 643:25 Unique 2.27, 4.98 A
)
&rst
ixpk= 643, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1008,1012,
igr2= 928, 929,
&end
#
# 106 GLY HN 106 GLY HA- 3.50 (# 648:25 Unique 2.29, 2.66 A
)
&rst
ixpk= 648, nxpk= 25, iat=1573, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1575,1576,
&end
#
# 106 GLY HN 106 GLY HA+ 3.50 (# 650:25 Unique 2.29, 2.66 A
)
&rst
ixpk= 650, nxpk= 25, iat=1573, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1575,1576,
&end
#
# 29 LYS HD+ 26 GLY HA+ 3.50 (# 652:25 Unique 2.19, 3.08 A
)
&rst
ixpk= 652, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 447, 448,
igr2= 415, 416,
&end
#
# 26 GLY HN 26 GLY HA+ 2.80 (# 653:25 Unique 2.29, 2.68 A
)
&rst
ixpk= 653, nxpk= 25, iat= 413, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 415, 416,
&end
#
# 30 ILE HG1+ 26 GLY HA+ 3.50 (# 654:25 Unique 2.08, 3.18 A
)
&rst
ixpk= 654, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 469, 470,
igr2= 415, 416,
&end
#
# 0 AMB 25-2:655 0 AMB 25-1:655 2.80 (# 655:25 Double Ambig
)
&rst
ixpk= 655, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1934,1935,1936, 472, 473, 474,
igr2= 415, 416, 415, 416,
&end
#
# 26 GLY HN 26 GLY HA- 2.80 (# 656:25 Unique 2.29, 2.68 A
)
&rst
ixpk= 656, nxpk= 25, iat= 413, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 415, 416,
&end
#
# 30 ILE HG1+ 26 GLY HA- 3.50 (# 657:25 Unique 2.08, 3.18 A
)
&rst
ixpk= 657, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 469, 470,
igr2= 415, 416,
&end
#
# 0 AMB 25-2:658 26 GLY HA- 2.80 (# 658:25 Single Ambig
)
&rst
ixpk= 658, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1934,1935,1936, 472, 473, 474,
igr2= 415, 416,
&end
#
# 102 GLU HN 101 LEU HB+ 3.50 (# 659:25 Unique 2.44, 3.35 A
)
&rst
ixpk= 659, nxpk= 25, iat=1520, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1505,1506,
&end
#
# 101 LEU HN 101 LEU HB+ 3.50 (# 660:25 Unique 2.51, 3.11 A
)
&rst
ixpk= 660, nxpk= 25, iat=1501, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1505,1506,
&end
#
# 101 LEU HA 101 LEU HB+ 2.80 (# 661:25 Unique 2.58, 2.85 A
)
&rst
ixpk= 661, nxpk= 25, iat=1503, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1505,1506,
&end
#
# 0 AMB 25-2:662 0 AMB 25-1:662 2.80 (# 662:25 Double Ambig
)
&rst
ixpk= 662, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.79, r4= 6.54,
igr1=1722,1723,1724,1726,1727,1728,1722,1723,1724,1726,
1727,1728,1508,
igr2=1505,1506,1505,1506,1505,1506,
&end
#
# 74 ASP HN 74 ASP HB+ 3.50 (# 663:25 Unique 2.43, 2.58 A
)
&rst
ixpk= 663, nxpk= 25, iat=1087, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1091,1092,
&end
#
# 74 ASP HA 74 ASP HB+ 2.80 (# 664:25 Unique 2.44, 2.76 A
)
&rst
ixpk= 664, nxpk= 25, iat=1089, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1091,1092,
&end
#
# 0 AMB 25-2:666 0 AMB 25-1:666 3.50 (# 666:25 Double Ambig
)
&rst
ixpk= 666, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 25, 26, 31, 32,
igr2=1091,1092,1091,1092,
&end
#
# 75 VAL MGX 74 ASP HB+ 3.50 (# 667:25 Unique 2.15, 5.46 A
)
&rst
ixpk= 667, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1105,1106,1107,1109,1110,1111,
igr2=1091,1092,
&end
#
# 3 LYS HN 74 ASP HB- 3.50 (# 668:25 Unique 2.12, 2.65 A
)
&rst
ixpk= 668, nxpk= 25, iat= 43, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1091,1092,
&end
#
# 74 ASP HN 74 ASP HB- 3.50 (# 669:25 Unique 2.43, 2.58 A
)
&rst
ixpk= 669, nxpk= 25, iat=1087, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1091,1092,
&end
#
# 74 ASP HA 74 ASP HB- 3.50 (# 670:25 Unique 2.44, 2.76 A
)
&rst
ixpk= 670, nxpk= 25, iat=1089, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1091,1092,
&end
#
# 0 AMB 25-2:672 74 ASP HB- 3.50 (# 672:25 Single Ambig
)
&rst
ixpk= 672, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 25, 26, 31, 32,
igr2=1091,1092,
&end
#
# 75 VAL MGX 74 ASP HB- 3.50 (# 673:25 Unique 2.15, 5.46 A
)
&rst
ixpk= 673, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1105,1106,1107,1109,1110,1111,
igr2=1091,1092,
&end
#
# 59 GLY HN 59 GLY HA+ 3.50 (# 674:25 Unique 2.25, 2.56 A
)
&rst
ixpk= 674, nxpk= 25, iat= 875, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 877, 878,
&end
#
# 59 GLY HN 59 GLY HA- 3.50 (# 677:25 Unique 2.25, 2.56 A
)
&rst
ixpk= 677, nxpk= 25, iat= 875, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 877, 878,
&end
#
# 0 AMB 25-2:680 0 AMB 25-1:680 3.50 (# 680:25 Double Ambig
)
&rst
ixpk= 680, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1739,1740,1736,1737,
igr2=1742,1743,1742,1743,
&end
#
# 116 ARG HG+ 116 ARG HD+ 3.50 (# 681:25 Unique 2.17, 2.54 A
)
&rst
ixpk= 681, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1739,1740,
igr2=1742,1743,
&end
#
# 53 VAL MGX 116 ARG HD+ 3.50 (# 682:25 Unique 2.30, 4.71 A
)
&rst
ixpk= 682, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 797, 798, 799, 801, 802, 803,
igr2=1742,1743,
&end
#
# 81 GLY HN 81 GLY HA+ 3.50 (# 684:25 Unique 2.25, 2.64 A
)
&rst
ixpk= 684, nxpk= 25, iat=1191, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1193,1194,
&end
#
# 81 GLY HN 81 GLY HA- 3.50 (# 685:25 Unique 2.25, 2.64 A
)
&rst
ixpk= 685, nxpk= 25, iat=1191, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1193,1194,
&end
#
# 37 LEU HN 36 GLY HA+ 3.50 (# 688:25 Unique 2.24, 2.54 A
)
&rst
ixpk= 688, nxpk= 25, iat= 547, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 542, 543,
&end
#
# 10 ARG HB- 10 ARG HD- 2.80 (# 691:25 Unique 2.28, 3.19 A
)
&rst
ixpk= 691, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 171, 172,
igr2= 177, 178,
&end
#
# 10 ARG HG+ 10 ARG HD- 2.80 (# 692:25 Unique 2.24, 2.64 A
)
&rst
ixpk= 692, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 174, 175,
igr2= 177, 178,
&end
#
# 49 MET ME 113 ARG HD- 2.80 (# 695:25 Unique 3.01, 4.36 A
)
&rst
ixpk= 695, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 738, 739, 740,
igr2=1688,1689,
&end
#
# 41 ARG HB+ 41 ARG HD+ 2.80 (# 697:25 Unique 2.34, 3.15 A
)
&rst
ixpk= 697, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 607, 608,
igr2= 613, 614,
&end
#
# 41 ARG HB- 41 ARG HD+ 2.80 (# 698:25 Unique 2.34, 3.15 A
)
&rst
ixpk= 698, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 607, 608,
igr2= 613, 614,
&end
#
# 41 ARG HG- 41 ARG HD+ 2.80 (# 699:25 Unique 2.27, 2.67 A
)
&rst
ixpk= 699, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 610, 611,
igr2= 613, 614,
&end
#
# 41 ARG HG+ 41 ARG HD+ 2.80 (# 700:25 Unique 2.27, 2.67 A
)
&rst
ixpk= 700, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 610, 611,
igr2= 613, 614,
&end
#
# 98 ASP HN 98 ASP HB+ 3.50 (# 705:25 Unique 2.51, 2.99 A
)
&rst
ixpk= 705, nxpk= 25, iat=1448, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1452,1453,
&end
#
# 98 ASP HN 98 ASP HB- 3.50 (# 707:25 Unique 2.51, 2.99 A
)
&rst
ixpk= 707, nxpk= 25, iat=1448, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1452,1453,
&end
#
# 96 PHE HE 98 ASP HB- 2.80 (# 708:25 Unique 2.60, 4.41 A
)
&rst
ixpk= 708, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1423,1427,
igr2=1452,1453,
&end
#
# 98 ASP HA 98 ASP HB- 3.50 (# 709:25 Unique 2.38, 2.72 A
)
&rst
ixpk= 709, nxpk= 25, iat=1450, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1452,1453,
&end
#
# 69 ASN HN 68 PHE HB+ 3.50 (# 711:25 Unique 1.90, 2.53 A
)
&rst
ixpk= 711, nxpk= 25, iat=1018, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1002,1003,
&end
#
# 0 AMB 25-2:712 0 AMB 25-1:712 3.50 (# 712:25 Double Ambig
)
&rst
ixpk= 712, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1321,1006,1014,
igr2=1002,1003,1002,1003,
&end
#
# 68 PHE HA 68 PHE HB+ 3.50 (# 713:25 Unique 2.39, 2.73 A
)
&rst
ixpk= 713, nxpk= 25, iat=1000, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1002,1003,
&end
#
# 0 AMB 25-2:714 68 PHE HB- 2.80 (# 714:25 Single Ambig
)
&rst
ixpk= 714, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1321,1006,1014,
igr2=1002,1003,
&end
#
# 98 ASP HA 98 ASP HB+ 3.50 (# 715:25 Unique 2.38, 2.72 A
)
&rst
ixpk= 715, nxpk= 25, iat=1450, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1452,1453,
&end
#
# 79 LEU HA 79 LEU HB+ 3.50 (# 716:25 Unique 2.34, 2.72 A
)
&rst
ixpk= 716, nxpk= 25, iat=1163, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1165,1166,
&end
#
# 14 ARG HB- 79 LEU HB+ 3.50 (# 717:25 Unique 2.17, 2.78 A
)
&rst
ixpk= 717, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 231, 232,
igr2=1165,1166,
&end
#
# 79 LEU HG 79 LEU HB+ 3.50 (# 719:25 Unique 2.49, 2.81 A
)
&rst
ixpk= 719, nxpk= 25, iat=1168, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1165,1166,
&end
#
# 14 ARG HB- 79 LEU HB- 3.50 (# 721:25 Unique 2.17, 2.78 A
)
&rst
ixpk= 721, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 231, 232,
igr2=1165,1166,
&end
#
# 122 ARG HG- 122 ARG HD- 3.50 (# 725:25 Unique 2.32, 2.76 A
)
&rst
ixpk= 725, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1840,1841,
igr2=1843,1844,
&end
#
# 96 PHE HD 96 PHE HB+ 2.80 (# 727:25 Unique 2.42, 3.09 A
)
&rst
ixpk= 727, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1421,1429,
igr2=1417,1418,
&end
#
# 96 PHE HA 96 PHE HB+ 3.50 (# 728:25 Unique 2.42, 2.75 A
)
&rst
ixpk= 728, nxpk= 25, iat=1415, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1417,1418,
&end
#
# 96 PHE HN 96 PHE HB- 3.50 (# 732:25 Unique 2.85, 3.19 A
)
&rst
ixpk= 732, nxpk= 25, iat=1413, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1417,1418,
&end
#
# 96 PHE HD 96 PHE HB- 2.80 (# 733:25 Unique 2.42, 3.09 A
)
&rst
ixpk= 733, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1421,1429,
igr2=1417,1418,
&end
#
# 127 ILE HN 126 LEU HB+ 3.50 (# 735:25 Unique 3.45, 3.93 A
)
&rst
ixpk= 735, nxpk= 25, iat=1921, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1906,1907,
&end
#
# 126 LEU HN 126 LEU HB+ 2.80 (# 736:25 Unique 2.08, 2.90 A
)
&rst
ixpk= 736, nxpk= 25, iat=1902, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1906,1907,
&end
#
# 126 LEU HA 126 LEU HB+ 3.50 (# 737:25 Unique 2.16, 2.42 A
)
&rst
ixpk= 737, nxpk= 25, iat=1904, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1906,1907,
&end
#
# 123 VAL HA 126 LEU HB+ 3.50 (# 738:25 Unique 2.99, 4.14 A
)
&rst
ixpk= 738, nxpk= 25, iat=1859, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1906,1907,
&end
#
# 126 LEU HG 126 LEU HB+ 3.50 (# 740:25 Unique 2.54, 2.83 A
)
&rst
ixpk= 740, nxpk= 25, iat=1909, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1906,1907,
&end
#
# 0 AMB 25-2:741 0 AMB 25-1:741 2.80 (# 741:25 Double Ambig
)
&rst
ixpk= 741, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1=1911,1912,1913,1915,1916,1917,1911,1912,1913,1915,
1916,1917,
igr2=1906,1907,1906,1907,
&end
#
# 122 ARG HG+ 122 ARG HD- 3.50 (# 742:25 Unique 2.32, 2.76 A
)
&rst
ixpk= 742, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1840,1841,
igr2=1843,1844,
&end
#
# 122 ARG HB+ 122 ARG HD- 3.50 (# 745:25 Unique 2.26, 2.91 A
)
&rst
ixpk= 745, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1837,1838,
igr2=1843,1844,
&end
#
# 122 ARG HG+ 122 ARG HD+ 3.50 (# 747:25 Unique 2.32, 2.76 A
)
&rst
ixpk= 747, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1840,1841,
igr2=1843,1844,
&end
#
# 122 ARG HB+ 122 ARG HD+ 3.50 (# 748:25 Unique 2.26, 2.91 A
)
&rst
ixpk= 748, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1837,1838,
igr2=1843,1844,
&end
#
# 126 LEU HN 126 LEU HB- 3.50 (# 749:25 Unique 2.08, 2.90 A
)
&rst
ixpk= 749, nxpk= 25, iat=1902, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1906,1907,
&end
#
# 0 AMB 25-2:750 0 AMB 25-1:750 3.50 (# 750:25 Double Ambig
)
&rst
ixpk= 750, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1473,1833,
igr2=1906,1907,1843,1844,
&end
#
# 126 LEU HA 126 LEU HB- 3.50 (# 751:25 Unique 2.16, 2.42 A
)
&rst
ixpk= 751, nxpk= 25, iat=1904, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1906,1907,
&end
#
# 0 AMB 25-2:753 0 AMB 25-1:753 2.80 (# 753:25 Double Ambig
)
&rst
ixpk= 753, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.48, r4= 6.23,
igr1=1911,1912,1913,1915,1916,1917,1911,1912,1913,1915,
1916,1917,1840,1841,
igr2=1906,1907,1843,1844,
&end
#
# 31 ALA HN 30 ILE HB 2.80 (# 754:25 Unique 2.14, 2.24 A
)
&rst
ixpk= 754, nxpk= 25, iat= 478, 463, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 30 ILE HA 30 ILE HB 2.80 (# 755:25 Unique 2.22, 2.38 A
)
&rst
ixpk= 755, nxpk= 25, iat= 461, 463, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 30 ILE HG1- 30 ILE HB 2.80 (# 756:25 Unique 2.42, 2.81 A
)
&rst
ixpk= 756, nxpk= 25, iat= -1, 463, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 469, 470,
&end
#
# 30 ILE HG1+ 30 ILE HB 3.50 (# 757:25 Unique 2.42, 2.81 A
)
&rst
ixpk= 757, nxpk= 25, iat= -1, 463, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 469, 470,
&end
#
# 25 LEU HN 25 LEU HB+ 3.50 (# 758:25 Unique 2.31, 2.94 A
)
&rst
ixpk= 758, nxpk= 25, iat= 394, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 398, 399,
&end
#
# 25 LEU HG 25 LEU HB+ 2.80 (# 759:25 Unique 2.56, 2.82 A
)
&rst
ixpk= 759, nxpk= 25, iat= 401, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 398, 399,
&end
#
# 127 ILE QD1 25 LEU HB+ 3.50 (# 760:25 Unique 2.46, 2.95 A
)
&rst
ixpk= 760, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1934,1935,1936,
igr2= 398, 399,
&end
#
# 25 LEU HA 25 LEU HB+ 3.50 (# 761:25 Unique 2.50, 2.77 A
)
&rst
ixpk= 761, nxpk= 25, iat= 396, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 398, 399,
&end
#
# 0 AMB 25-2:763 0 AMB 25-1:763 2.80 (# 763:25 Double Ambig
)
&rst
ixpk= 763, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1= 403, 404, 405, 407, 408, 409,1863,1864,1865,1867,
1868,1869,
igr2= 398, 399, 398, 399,
&end
#
# 25 LEU HA 25 LEU HB- 2.80 (# 764:25 Unique 2.50, 2.77 A
)
&rst
ixpk= 764, nxpk= 25, iat= 396, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 398, 399,
&end
#
# 25 LEU HG 25 LEU HB- 3.50 (# 765:25 Unique 2.56, 2.82 A
)
&rst
ixpk= 765, nxpk= 25, iat= 401, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 398, 399,
&end
#
# 0 AMB 25-2:766 25 LEU HB- 2.80 (# 766:25 Single Ambig
)
&rst
ixpk= 766, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 403, 404, 405, 407, 408, 409,1863,1864,1865,1867,
1868,1869,
igr2= 398, 399,
&end
#
# 0 AMB 25-2:768 0 AMB 25-1:768 2.80 (# 768:25 Double Ambig
)
&rst
ixpk= 768, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,
igr1= 441, 442, 365, 366, 368, 369, 447, 448,
igr2= 450, 451, 371, 372, 371, 372, 450, 451,
&end
#
# 29 LYS HG+ 29 LYS HE+ 2.80 (# 769:25 Unique 2.18, 3.64 A
)
&rst
ixpk= 769, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 444, 445,
igr2= 450, 451,
&end
#
# 27 ALA MB 23 LYS HE+ 4.50 (# 771:25 Unique 5.06, 6.50 A
)
&rst
ixpk= 771, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 424, 425, 426,
igr2= 371, 372,
&end
#
# 0 AMB 25-2:772 0 AMB 25-1:772 3.50 (# 772:25 Double Ambig
)
&rst
ixpk= 772, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 465, 466, 467,1927,1928,1929,
igr2= 450, 451, 450, 451,
&end
#
# 120 LYS HD- 120 LYS HE+ 2.80 (# 777:25 Unique 2.35, 2.63 A
)
&rst
ixpk= 777, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1806,1807,
igr2=1809,1810,
&end
#
# 120 LYS HG+ 120 LYS HE+ 3.50 (# 778:25 Unique 2.49, 3.51 A
)
&rst
ixpk= 778, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1803,1804,
igr2=1809,1810,
&end
#
# 0 AMB 25-2:780 0 AMB 25-1:780 2.80 (# 780:25 Double Ambig
)
&rst
ixpk= 780, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.61, r4= 5.36,
igr1=1806,1807, 482, 483, 484,
igr2=1809,1810, 56, 57,
&end
#
# 120 LYS HG+ 120 LYS HE- 4.50 (# 781:25 Unique 2.49, 3.51 A
)
&rst
ixpk= 781, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1803,1804,
igr2=1809,1810,
&end
#
# 120 LYS HG- 120 LYS HE- 3.50 (# 782:25 Unique 2.49, 3.51 A
)
&rst
ixpk= 782, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1803,1804,
igr2=1809,1810,
&end
#
# 25 LEU HN 25 LEU HB- 3.50 (# 785:25 Unique 2.31, 2.94 A
)
&rst
ixpk= 785, nxpk= 25, iat= 394, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 398, 399,
&end
#
# 127 ILE QD1 25 LEU HB- 3.50 (# 786:25 Unique 2.46, 2.95 A
)
&rst
ixpk= 786, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1934,1935,1936,
igr2= 398, 399,
&end
#
# 3 LYS HB- 3 LYS HE+ 3.50 (# 789:25 Unique 2.26, 4.44 A
)
&rst
ixpk= 789, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 47, 48,
igr2= 56, 57,
&end
#
# 3 LYS HD+ 3 LYS HE+ 2.80 (# 790:25 Unique 2.45, 2.76 A
)
&rst
ixpk= 790, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 53, 54,
igr2= 56, 57,
&end
#
# 105 ASP HN 105 ASP HB+ 4.50 (# 791:25 Unique 2.24, 2.49 A
)
&rst
ixpk= 791, nxpk= 25, iat=1561, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1565,1566,
&end
#
# 105 ASP HA 105 ASP HB+ 3.50 (# 792:25 Unique 2.36, 2.74 A
)
&rst
ixpk= 792, nxpk= 25, iat=1563, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1565,1566,
&end
#
# 105 ASP HN 105 ASP HB- 2.80 (# 793:25 Unique 2.24, 2.49 A
)
&rst
ixpk= 793, nxpk= 25, iat=1561, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1565,1566,
&end
#
# 103 ASP HN 103 ASP HB+ 2.80 (# 794:25 Unique 2.24, 2.61 A
)
&rst
ixpk= 794, nxpk= 25, iat=1535, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1539,1540,
&end
#
# 103 ASP HN 103 ASP HB- 3.50 (# 795:25 Unique 2.24, 2.61 A
)
&rst
ixpk= 795, nxpk= 25, iat=1535, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1539,1540,
&end
#
# 103 ASP HA 103 ASP HB- 3.50 (# 796:25 Unique 2.33, 2.73 A
)
&rst
ixpk= 796, nxpk= 25, iat=1537, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1539,1540,
&end
#
# 105 ASP HA 105 ASP HB- 3.50 (# 797:25 Unique 2.36, 2.74 A
)
&rst
ixpk= 797, nxpk= 25, iat=1563, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1565,1566,
&end
#
# 6 PHE HD 6 PHE HB- 3.50 (# 798:25 Unique 2.36, 3.08 A
)
&rst
ixpk= 798, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 106, 114,
igr2= 102, 103,
&end
#
# 95 ILE HN 95 ILE HB 3.50 (# 799:25 Unique 2.53, 2.59 A
)
&rst
ixpk= 799, nxpk= 25, iat=1394,1398, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 75 VAL HA 95 ILE HB 2.80 (# 800:25 Unique 2.28, 2.59 A
)
&rst
ixpk= 800, nxpk= 25, iat=1101,1398, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 25-2:801 95 ILE HB 3.50 (# 801:25 Single Ambig
)
&rst
ixpk= 801, nxpk= 25, iat= -1,1398, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1105,1106,1107,1109,1110,1111,1400,1401,1402,1407,
1408,1409,
&end
#
# 109 LEU HN 109 LEU HB+ 3.50 (# 804:25 Unique 2.45, 3.05 A
)
&rst
ixpk= 804, nxpk= 25, iat=1608, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1612,1613,
&end
#
# 109 LEU HA 109 LEU HB+ 3.50 (# 805:25 Unique 2.50, 2.78 A
)
&rst
ixpk= 805, nxpk= 25, iat=1610, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1612,1613,
&end
#
# 109 LEU MDX 109 LEU HB+ 2.80 (# 807:25 Unique 2.43, 3.33 A
)
&rst
ixpk= 807, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1617,1618,1619,1621,1622,1623,
igr2=1612,1613,
&end
#
# 109 LEU MDY 109 LEU HB+ 3.50 (# 808:25 Unique 2.43, 3.33 A
)
&rst
ixpk= 808, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1617,1618,1619,1621,1622,1623,
igr2=1612,1613,
&end
#
# 109 LEU HA 109 LEU HB- 3.50 (# 809:25 Unique 2.50, 2.78 A
)
&rst
ixpk= 809, nxpk= 25, iat=1610, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1612,1613,
&end
#
# 109 LEU MDX 109 LEU HB- 2.80 (# 811:25 Unique 2.43, 3.33 A
)
&rst
ixpk= 811, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1617,1618,1619,1621,1622,1623,
igr2=1612,1613,
&end
#
# 0 AMB 25-2:812 0 AMB 25-1:812 3.50 (# 812:25 Double Ambig
)
&rst
ixpk= 812, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 833, 864,
igr2= 837, 838, 837, 838,
&end
#
# 0 AMB 25-2:814 56 ASP HB- 3.50 (# 814:25 Single Ambig
)
&rst
ixpk= 814, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 833, 864,
igr2= 837, 838,
&end
#
# 109 LEU MDY 109 LEU HB- 2.80 (# 815:25 Unique 2.43, 3.33 A
)
&rst
ixpk= 815, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1617,1618,1619,1621,1622,1623,
igr2=1612,1613,
&end
#
# 55 ILE HG1- 55 ILE HB 2.80 (# 816:25 Unique 2.63, 2.84 A
)
&rst
ixpk= 816, nxpk= 25, iat= -1, 818, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 824, 825,
&end
#
# 50 MET ME 55 ILE HB 3.50 (# 817:25 Unique 2.23, 3.06 A
)
&rst
ixpk= 817, nxpk= 25, iat= -1, 818, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 755, 756, 757,
&end
#
# 55 ILE HN 55 ILE HB 3.50 (# 818:25 Unique 2.43, 2.57 A
)
&rst
ixpk= 818, nxpk= 25, iat= 814, 818, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 50 MET HB- 55 ILE HB 3.50 (# 819:25 Unique 2.21, 3.12 A
)
&rst
ixpk= 819, nxpk= 25, iat= -1, 818, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 748, 749,
&end
#
# 55 ILE HG1+ 55 ILE HB 3.50 (# 820:25 Unique 2.63, 2.84 A
)
&rst
ixpk= 820, nxpk= 25, iat= -1, 818, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 824, 825,
&end
#
# 55 ILE QD1 55 ILE HB 2.80 (# 821:25 Unique 2.34, 2.96 A
)
&rst
ixpk= 821, nxpk= 25, iat= -1, 818, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 827, 828, 829,
&end
#
# 55 ILE QG2 55 ILE HB 2.80 (# 822:25 Unique 2.40, 2.68 A
)
&rst
ixpk= 822, nxpk= 25, iat= -1, 818, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 820, 821, 822,
&end
#
# 37 LEU HA 37 LEU HB+ 3.50 (# 824:25 Unique 2.52, 2.79 A
)
&rst
ixpk= 824, nxpk= 25, iat= 549, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 551, 552,
&end
#
# 37 LEU HA 37 LEU HB- 2.80 (# 826:25 Unique 2.52, 2.79 A
)
&rst
ixpk= 826, nxpk= 25, iat= 549, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 551, 552,
&end
#
# 37 LEU MDX 37 LEU HB- 2.80 (# 828:25 Unique 2.38, 3.33 A
)
&rst
ixpk= 828, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 556, 557, 558, 560, 561, 562,
igr2= 551, 552,
&end
#
# 37 LEU MDY 37 LEU HB- 3.50 (# 829:25 Unique 2.38, 3.33 A
)
&rst
ixpk= 829, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 556, 557, 558, 560, 561, 562,
igr2= 551, 552,
&end
#
# 86 LEU HN 86 LEU HB+ 3.50 (# 830:25 Unique 2.18, 3.06 A
)
&rst
ixpk= 830, nxpk= 25, iat=1246, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1250,1251,
&end
#
# 91 VAL MGY 86 LEU HB+ 3.50 (# 833:25 Unique 2.16, 4.77 A
)
&rst
ixpk= 833, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1338,1339,1340,1342,1343,1344,
igr2=1250,1251,
&end
#
# 86 LEU HA 86 LEU HB- 3.50 (# 834:25 Unique 2.36, 2.74 A
)
&rst
ixpk= 834, nxpk= 25, iat=1248, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1250,1251,
&end
#
# 0 AMB 25-2:835 86 LEU HB- 3.50 (# 835:25 Single Ambig
)
&rst
ixpk= 835, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1280,1281,1312,1313,
igr2=1250,1251,
&end
#
# 86 LEU HG 86 LEU HB- 3.50 (# 836:25 Unique 2.37, 2.76 A
)
&rst
ixpk= 836, nxpk= 25, iat=1253, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1250,1251,
&end
#
# 86 LEU MDY 86 LEU HB- 3.50 (# 839:25 Unique 2.31, 3.33 A
)
&rst
ixpk= 839, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1255,1256,1257,1259,1260,1261,
igr2=1250,1251,
&end
#
# 86 LEU MDX 86 LEU HB- 3.50 (# 840:25 Unique 2.31, 3.33 A
)
&rst
ixpk= 840, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1255,1256,1257,1259,1260,1261,
igr2=1250,1251,
&end
#
# 71 ASP HN 71 ASP HB+ 3.50 (# 841:25 Unique 2.44, 2.46 A
)
&rst
ixpk= 841, nxpk= 25, iat=1042, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1046,1047,
&end
#
# 71 ASP HA 71 ASP HB+ 2.80 (# 842:25 Unique 2.45, 2.75 A
)
&rst
ixpk= 842, nxpk= 25, iat=1044, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1046,1047,
&end
#
# 71 ASP HN 71 ASP HB- 2.80 (# 843:25 Unique 2.44, 2.46 A
)
&rst
ixpk= 843, nxpk= 25, iat=1042, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1046,1047,
&end
#
# 71 ASP HA 71 ASP HB- 2.80 (# 844:25 Unique 2.45, 2.75 A
)
&rst
ixpk= 844, nxpk= 25, iat=1044, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1046,1047,
&end
#
# 0 AMB 25-2:845 72 ASP HB- 3.50 (# 845:25 Single Ambig
)
&rst
ixpk= 845, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1054,1066,
igr2=1058,1059,
&end
#
# 72 ASP HA 72 ASP HB- 2.80 (# 846:25 Unique 2.46, 2.76 A
)
&rst
ixpk= 846, nxpk= 25, iat=1056, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1058,1059,
&end
#
# 37 LEU MDX 37 LEU HB+ 2.80 (# 847:25 Unique 2.38, 3.33 A
)
&rst
ixpk= 847, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 556, 557, 558, 560, 561, 562,
igr2= 551, 552,
&end
#
# 85 ASN HA 85 ASN HB- 3.50 (# 848:25 Unique 2.35, 2.77 A
)
&rst
ixpk= 848, nxpk= 25, iat=1234, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1236,1237,
&end
#
# 0 AMB 25-2:849 0 AMB 25-1:849 2.80 (# 849:25 Double Ambig
)
&rst
ixpk= 849, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1066,1054,
igr2=1070,1071,1058,1059,
&end
#
# 72 ASP HA 72 ASP HB+ 2.80 (# 850:25 Unique 2.46, 2.76 A
)
&rst
ixpk= 850, nxpk= 25, iat=1056, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1058,1059,
&end
#
# 85 ASN HA 85 ASN HB+ 3.50 (# 852:25 Unique 2.35, 2.77 A
)
&rst
ixpk= 852, nxpk= 25, iat=1234, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1236,1237,
&end
#
# 112 PHE HN 112 PHE HB+ 3.50 (# 854:25 Unique 2.13, 2.83 A
)
&rst
ixpk= 854, nxpk= 25, iat=1658, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1662,1663,
&end
#
# 112 PHE HD 112 PHE HB+ 3.50 (# 855:25 Unique 2.37, 3.07 A
)
&rst
ixpk= 855, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1666,1674,
igr2=1662,1663,
&end
#
# 109 LEU HA 112 PHE HB+ 3.50 (# 856:25 Unique 2.10, 2.89 A
)
&rst
ixpk= 856, nxpk= 25, iat=1610, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1662,1663,
&end
#
# 112 PHE HA 112 PHE HB+ 3.50 (# 857:25 Unique 2.65, 2.84 A
)
&rst
ixpk= 857, nxpk= 25, iat=1660, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1662,1663,
&end
#
# 73 TYR HN 73 TYR HB+ 3.50 (# 860:25 Unique 2.30, 3.02 A
)
&rst
ixpk= 860, nxpk= 25, iat=1066, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1070,1071,
&end
#
# 73 TYR HD 73 TYR HB+ 3.50 (# 861:25 Unique 2.38, 3.09 A
)
&rst
ixpk= 861, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1074,1083,
igr2=1070,1071,
&end
#
# 73 TYR HA 73 TYR HB+ 3.50 (# 862:25 Unique 2.48, 2.75 A
)
&rst
ixpk= 862, nxpk= 25, iat=1068, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1070,1071,
&end
#
# 112 PHE HN 112 PHE HB- 3.50 (# 863:25 Unique 2.13, 2.83 A
)
&rst
ixpk= 863, nxpk= 25, iat=1658, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1662,1663,
&end
#
# 112 PHE HD 112 PHE HB- 2.80 (# 864:25 Unique 2.37, 3.07 A
)
&rst
ixpk= 864, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1666,1674,
igr2=1662,1663,
&end
#
# 112 PHE HA 112 PHE HB- 3.50 (# 865:25 Unique 2.65, 2.84 A
)
&rst
ixpk= 865, nxpk= 25, iat=1660, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1662,1663,
&end
#
# 69 ASN HD2+ 69 ASN HB- 2.80 (# 867:25 Unique 2.88, 3.65 A
)
&rst
ixpk= 867, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1027,1028,
igr2=1022,1023,
&end
#
# 69 ASN HN 69 ASN HB+ 3.50 (# 868:25 Unique 3.52, 3.68 A
)
&rst
ixpk= 868, nxpk= 25, iat=1018, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1022,1023,
&end
#
# 69 ASN HA 69 ASN HB+ 3.50 (# 869:25 Unique 2.29, 2.46 A
)
&rst
ixpk= 869, nxpk= 25, iat=1020, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1022,1023,
&end
#
# 69 ASN HN 69 ASN HB- 3.50 (# 871:25 Unique 3.52, 3.68 A
)
&rst
ixpk= 871, nxpk= 25, iat=1018, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1022,1023,
&end
#
# 69 ASN HA 69 ASN HB- 2.80 (# 872:25 Unique 2.29, 2.46 A
)
&rst
ixpk= 872, nxpk= 25, iat=1020, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1022,1023,
&end
#
# 21 PHE HA 21 PHE HB+ 3.50 (# 874:25 Unique 2.41, 2.77 A
)
&rst
ixpk= 874, nxpk= 25, iat= 330, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 332, 333,
&end
#
# 21 PHE HD 21 PHE HB+ 3.50 (# 875:25 Unique 2.32, 3.11 A
)
&rst
ixpk= 875, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 336, 344,
igr2= 332, 333,
&end
#
# 0 AMB 25-2:877 0 AMB 25-1:877 2.80 (# 877:25 Double Ambig
)
&rst
ixpk= 877, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1= 403, 404, 405, 407, 408, 409,1863,1864,1865,1867,
1868,1869,
igr2= 332, 333, 332, 333,
&end
#
# 0 AMB 25-2:879 21 PHE HB- 2.80 (# 879:25 Single Ambig
)
&rst
ixpk= 879, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 403, 404, 405, 407, 408, 409,1863,1864,1865,1867,
1868,1869,
igr2= 332, 333,
&end
#
# 21 PHE HN 21 PHE HB- 3.50 (# 880:25 Unique 2.44, 3.07 A
)
&rst
ixpk= 880, nxpk= 25, iat= 328, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 332, 333,
&end
#
# 21 PHE HD 21 PHE HB- 2.80 (# 881:25 Unique 2.32, 3.11 A
)
&rst
ixpk= 881, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 336, 344,
igr2= 332, 333,
&end
#
# 0 AMB 25-2:882 0 AMB 25-1:882 3.50 (# 882:25 Double Ambig
)
&rst
ixpk= 882, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 583, 193,
igr2= 195, 196, 195, 196,
&end
#
# 65 ILE HN 65 ILE HB 2.80 (# 884:25 Unique 2.26, 2.31 A
)
&rst
ixpk= 884, nxpk= 25, iat= 950, 954, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 65 ILE HA 65 ILE HB 2.80 (# 885:25 Unique 2.42, 2.48 A
)
&rst
ixpk= 885, nxpk= 25, iat= 952, 954, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 65 ILE QG2 65 ILE HB 2.80 (# 886:25 Unique 2.41, 2.67 A
)
&rst
ixpk= 886, nxpk= 25, iat= -1, 954, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 956, 957, 958,
&end
#
# 65 ILE QD1 65 ILE HB 2.80 (# 887:25 Unique 2.27, 3.05 A
)
&rst
ixpk= 887, nxpk= 25, iat= -1, 954, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 963, 964, 965,
&end
#
# 130 ILE HN 130 ILE HB 3.50 (# 891:25 Unique 3.50, 3.53 A
)
&rst
ixpk= 891, nxpk= 25, iat=1972,1976, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 130 ILE HA 130 ILE HB 2.80 (# 892:25 Unique 2.46, 2.47 A
)
&rst
ixpk= 892, nxpk= 25, iat=1974,1976, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 25-2:893 130 ILE HB 2.80 (# 893:25 Single Ambig
)
&rst
ixpk= 893, nxpk= 25, iat= -1,1976, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 25, 26, 31, 32,
&end
#
# 130 ILE HG1+ 130 ILE HB 2.80 (# 894:25 Unique 2.36, 2.66 A
)
&rst
ixpk= 894, nxpk= 25, iat= -1,1976, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1982,1983,
&end
#
# 0 AMB 25-2:895 130 ILE HB 2.80 (# 895:25 Single Ambig
)
&rst
ixpk= 895, nxpk= 25, iat= -1,1976, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1=1985,1986,1987,1105,1106,1107,1109,1110,1111,
&end
#
# 130 ILE QG2 130 ILE HB 2.80 (# 896:25 Unique 2.40, 2.70 A
)
&rst
ixpk= 896, nxpk= 25, iat= -1,1976, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1978,1979,1980,
&end
#
# 126 LEU HN 125 ASN HB+ 3.50 (# 899:25 Unique 2.50, 3.12 A
)
&rst
ixpk= 899, nxpk= 25, iat=1902, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1892,1893,
&end
#
# 125 ASN HN 125 ASN HB+ 2.80 (# 900:25 Unique 2.15, 2.63 A
)
&rst
ixpk= 900, nxpk= 25, iat=1888, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1892,1893,
&end
#
# 125 ASN HA 125 ASN HB+ 2.80 (# 901:25 Unique 2.54, 2.84 A
)
&rst
ixpk= 901, nxpk= 25, iat=1890, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1892,1893,
&end
#
# 122 ARG HA 125 ASN HB+ 3.50 (# 902:25 Unique 2.21, 2.67 A
)
&rst
ixpk= 902, nxpk= 25, iat=1835, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1892,1893,
&end
#
# 126 LEU HN 125 ASN HB- 3.50 (# 903:25 Unique 2.50, 3.12 A
)
&rst
ixpk= 903, nxpk= 25, iat=1902, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1892,1893,
&end
#
# 125 ASN HN 125 ASN HB- 2.80 (# 904:25 Unique 2.15, 2.63 A
)
&rst
ixpk= 904, nxpk= 25, iat=1888, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1892,1893,
&end
#
# 125 ASN HA 125 ASN HB- 2.80 (# 905:25 Unique 2.54, 2.84 A
)
&rst
ixpk= 905, nxpk= 25, iat=1890, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1892,1893,
&end
#
# 122 ARG HA 125 ASN HB- 3.50 (# 906:25 Unique 2.21, 2.67 A
)
&rst
ixpk= 906, nxpk= 25, iat=1835, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1892,1893,
&end
#
# 57 ILE HA 57 ILE HB 2.80 (# 907:25 Unique 2.91, 2.93 A
)
&rst
ixpk= 907, nxpk= 25, iat= 847, 849, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 57 ILE HG1- 57 ILE HB 3.50 (# 908:25 Unique 2.39, 2.73 A
)
&rst
ixpk= 908, nxpk= 25, iat= -1, 849, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 855, 856,
&end
#
# 57 ILE QG2 57 ILE HB 2.80 (# 909:25 Unique 2.39, 2.66 A
)
&rst
ixpk= 909, nxpk= 25, iat= -1, 849, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 851, 852, 853,
&end
#
# 0 AMB 25-2:910 57 ILE HB 2.80 (# 910:25 Single Ambig
)
&rst
ixpk= 910, nxpk= 25, iat= -1, 849, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
igr1= 708, 709, 858, 859, 860,
&end
#
# 48 ALA HN 47 ILE HB 2.80 (# 911:25 Unique 2.29, 2.57 A
)
&rst
ixpk= 911, nxpk= 25, iat= 717, 702, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 25-2:912 47 ILE HB 3.50 (# 912:25 Single Ambig
)
&rst
ixpk= 912, nxpk= 25, iat= -1, 702, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 670, 719,
&end
#
# 47 ILE HG1- 47 ILE HB 3.50 (# 913:25 Unique 2.60, 2.85 A
)
&rst
ixpk= 913, nxpk= 25, iat= -1, 702, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 708, 709,
&end
#
# 124 GLU HN 124 GLU HG- 2.80 (# 914:25 Unique 2.23, 2.92 A
)
&rst
ixpk= 914, nxpk= 25, iat=1873, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1880,1881,
&end
#
# 124 GLU HA 124 GLU HG- 3.50 (# 915:25 Unique 2.43, 2.80 A
)
&rst
ixpk= 915, nxpk= 25, iat=1875, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1880,1881,
&end
#
# 25 LEU MDX 124 GLU HG- 2.80 (# 916:25 Unique 2.27, 3.43 A
)
&rst
ixpk= 916, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 403, 404, 405, 407, 408, 409,
igr2=1880,1881,
&end
#
# 124 GLU HN 124 GLU HG+ 3.50 (# 917:25 Unique 2.23, 2.92 A
)
&rst
ixpk= 917, nxpk= 25, iat=1873, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1880,1881,
&end
#
# 124 GLU HA 124 GLU HG+ 3.50 (# 918:25 Unique 2.43, 2.80 A
)
&rst
ixpk= 918, nxpk= 25, iat=1875, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1880,1881,
&end
#
# 25 LEU MDX 124 GLU HG+ 2.80 (# 919:25 Unique 2.27, 3.43 A
)
&rst
ixpk= 919, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 403, 404, 405, 407, 408, 409,
igr2=1880,1881,
&end
#
# 77 ILE HN 77 ILE HB 3.50 (# 920:25 Unique 2.17, 2.22 A
)
&rst
ixpk= 920, nxpk= 25, iat=1131,1135, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 6 PHE HD 77 ILE HB 3.50 (# 921:25 Unique 2.48, 4.08 A
)
&rst
ixpk= 921, nxpk= 25, iat= -1,1135, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 106, 114,
&end
#
# 77 ILE HG1- 77 ILE HB 2.80 (# 922:25 Unique 2.31, 2.43 A
)
&rst
ixpk= 922, nxpk= 25, iat= -1,1135, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1141,1142,
&end
#
# 77 ILE HG1+ 77 ILE HB 3.50 (# 923:25 Unique 2.31, 2.43 A
)
&rst
ixpk= 923, nxpk= 25, iat= -1,1135, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1141,1142,
&end
#
# 77 ILE QG2 77 ILE HB 2.80 (# 924:25 Unique 2.35, 2.62 A
)
&rst
ixpk= 924, nxpk= 25, iat= -1,1135, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1137,1138,1139,
&end
#
# 127 ILE HN 127 ILE HB 2.80 (# 927:25 Unique 2.32, 2.38 A
)
&rst
ixpk= 927, nxpk= 25, iat=1921,1925, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 128 ALA HN 127 ILE HB 2.80 (# 928:25 Unique 2.85, 2.86 A
)
&rst
ixpk= 928, nxpk= 25, iat=1940,1925, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 124 GLU HA 127 ILE HB 3.50 (# 929:25 Unique 2.40, 2.52 A
)
&rst
ixpk= 929, nxpk= 25, iat=1875,1925, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 127 ILE HA 127 ILE HB 3.50 (# 930:25 Unique 3.02, 3.03 A
)
&rst
ixpk= 930, nxpk= 25, iat=1923,1925, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 127 ILE HG1+ 127 ILE HB 3.50 (# 931:25 Unique 2.49, 2.81 A
)
&rst
ixpk= 931, nxpk= 25, iat= -1,1925, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1931,1932,
&end
#
# 127 ILE QG2 127 ILE HB 2.80 (# 932:25 Unique 2.42, 2.67 A
)
&rst
ixpk= 932, nxpk= 25, iat= -1,1925, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1927,1928,1929,
&end
#
# 6 PHE HA 77 ILE HB 3.50 (# 933:25 Unique 2.27, 2.54 A
)
&rst
ixpk= 933, nxpk= 25, iat= 100,1135, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 52 GLU HN 52 GLU HG+ 3.50 (# 935:25 Unique 2.10, 2.67 A
)
&rst
ixpk= 935, nxpk= 25, iat= 776, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 783, 784,
&end
#
# 52 GLU HA 52 GLU HG+ 3.50 (# 936:25 Unique 2.37, 2.96 A
)
&rst
ixpk= 936, nxpk= 25, iat= 778, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 783, 784,
&end
#
# 67 ASN HN 67 ASN HB- 3.50 (# 938:25 Unique 2.42, 2.57 A
)
&rst
ixpk= 938, nxpk= 25, iat= 984, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 988, 989,
&end
#
# 67 ASN HA 67 ASN HB- 3.50 (# 939:25 Unique 2.21, 2.73 A
)
&rst
ixpk= 939, nxpk= 25, iat= 986, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 988, 989,
&end
#
# 67 ASN HN 67 ASN HB+ 3.50 (# 940:25 Unique 2.42, 2.57 A
)
&rst
ixpk= 940, nxpk= 25, iat= 984, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 988, 989,
&end
#
# 0 AMB 25-2:941 0 AMB 25-1:941 2.80 (# 941:25 Double Ambig
)
&rst
ixpk= 941, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 776, 993, 994,
igr2= 783, 784, 988, 989,
&end
#
# 67 ASN HA 67 ASN HB+ 2.80 (# 942:25 Unique 2.21, 2.73 A
)
&rst
ixpk= 942, nxpk= 25, iat= 986, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 988, 989,
&end
#
# 52 GLU HA 52 GLU HG- 2.80 (# 945:25 Unique 2.37, 2.96 A
)
&rst
ixpk= 945, nxpk= 25, iat= 778, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 783, 784,
&end
#
# 60 GLN HA 60 GLN HG- 3.50 (# 946:25 Unique 2.41, 3.71 A
)
&rst
ixpk= 946, nxpk= 25, iat= 884, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 889, 890,
&end
#
# 0 AMB 25-2:947 0 AMB 25-1:947 2.80 (# 947:25 Double Ambig
)
&rst
ixpk= 947, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 884, 971,
igr2= 889, 890, 976, 977,
&end
#
# 66 GLU HA 66 GLU HG- 2.80 (# 948:25 Unique 2.61, 3.11 A
)
&rst
ixpk= 948, nxpk= 25, iat= 971, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 976, 977,
&end
#
# 0 AMB 25-2:950 0 AMB 25-1:950 2.80 (# 950:25 Double Ambig
)
&rst
ixpk= 950, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 763,1381,
igr2= 768, 769,1386,1387,
&end
#
# 51 GLU HN 51 GLU HG+ 3.50 (# 951:25 Unique 2.63, 3.38 A
)
&rst
ixpk= 951, nxpk= 25, iat= 761, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 768, 769,
&end
#
# 0 AMB 25-2:952 0 AMB 25-1:952 2.80 (# 952:25 Double Ambig
)
&rst
ixpk= 952, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 763,1381,
igr2= 768, 769,1386,1387,
&end
#
# 51 GLU HN 51 GLU HG- 3.50 (# 953:25 Unique 2.63, 3.38 A
)
&rst
ixpk= 953, nxpk= 25, iat= 761, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 768, 769,
&end
#
# 70 ALA MB 89 GLU HG- 3.50 (# 954:25 Unique 2.31, 6.46 A
)
&rst
ixpk= 954, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1036,1037,1038,
igr2=1300,1301,
&end
#
# 121 GLU HN 121 GLU HG+ 3.50 (# 956:25 Unique 2.45, 3.98 A
)
&rst
ixpk= 956, nxpk= 25, iat=1818, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1825,1826,
&end
#
# 97 GLU HA 97 GLU HG- 3.50 (# 957:25 Unique 2.30, 2.74 A
)
&rst
ixpk= 957, nxpk= 25, iat=1435, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1440,1441,
&end
#
# 89 GLU HN 89 GLU HG- 4.50 (# 959:25 Unique 1.78, 2.94 A
)
&rst
ixpk= 959, nxpk= 25, iat=1293, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1300,1301,
&end
#
# 70 ALA MB 0 AMB 25-1:960 3.50 (# 960:25 Single Ambig
)
&rst
ixpk= 960, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1036,1037,1038,
igr2=1300,1301,1300,1301,
&end
#
# 0 AMB 25-2:961 0 AMB 25-1:961 2.80 (# 961:25 Double Ambig
)
&rst
ixpk= 961, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1522,1295,
igr2=1527,1528,1300,1301,
&end
#
# 115 VAL MGY 102 GLU HG+ 4.50 (# 962:25 Unique 3.99, 6.47 A
)
&rst
ixpk= 962, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1722,1723,1724,1726,1727,1728,
igr2=1527,1528,
&end
#
# 102 GLU HN 102 GLU HG+ 3.50 (# 963:25 Unique 2.38, 3.11 A
)
&rst
ixpk= 963, nxpk= 25, iat=1520, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1527,1528,
&end
#
# 103 ASP HN 102 GLU HG+ 4.50 (# 964:25 Unique 4.53, 4.95 A
)
&rst
ixpk= 964, nxpk= 25, iat=1535, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1527,1528,
&end
#
# 97 GLU HA 97 GLU HG+ 3.50 (# 965:25 Unique 2.30, 2.74 A
)
&rst
ixpk= 965, nxpk= 25, iat=1435, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1440,1441,
&end
#
# 96 PHE HD 76 VAL HB 4.50 (# 966:25 Unique 2.81, 5.54 A
)
&rst
ixpk= 966, nxpk= 25, iat= -1,1119, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1421,1429,
&end
#
# 76 VAL HN 76 VAL HB 3.50 (# 967:25 Unique 2.76, 3.04 A
)
&rst
ixpk= 967, nxpk= 25, iat=1115,1119, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:969 75 VAL HB 2.80 (# 969:25 Single Ambig
)
&rst
ixpk= 969, nxpk= 25, iat= -1,1103, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1=1105,1106,1107,1109,1110,1111,1407,1408,1409,
&end
#
# 0 AMB 25-2:970 0 AMB 25-1:970 3.50 (# 970:25 Double Ambig
)
&rst
ixpk= 970, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 437,1115,
igr2= 441, 442,1103,
&end
#
# 75 VAL HN 75 VAL HB 4.50 (# 971:25 Unique 2.60, 3.33 A
)
&rst
ixpk= 971, nxpk= 25, iat=1099,1103, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 4 VAL HA 75 VAL HB 4.50 (# 972:25 Unique 2.01, 4.29 A
)
&rst
ixpk= 972, nxpk= 25, iat= 67,1103, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:973 0 AMB 25-1:973 2.80 (# 973:25 Double Ambig
)
&rst
ixpk= 973, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1101, 439,
igr2=1103, 441, 442,
&end
#
# 4 VAL MGY 75 VAL HB 5.50 (# 974:25 Unique 2.44, 6.17 A
)
&rst
ixpk= 974, nxpk= 25, iat= -1,1103, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 71, 72, 73, 75, 76, 77,
&end
#
# 0 AMB 25-2:975 75 VAL HB 2.80 (# 975:25 Single Ambig
)
&rst
ixpk= 975, nxpk= 25, iat= -1,1103, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1105,1106,1107,1109,1110,1111, 71, 72, 73, 75,
76, 77,
&end
#
# 29 LYS HA 29 LYS HB- 3.50 (# 977:25 Unique 2.29, 2.39 A
)
&rst
ixpk= 977, nxpk= 25, iat= 439, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 441, 442,
&end
#
# 32 VAL HN 32 VAL HB 2.80 (# 979:25 Unique 2.83, 2.88 A
)
&rst
ixpk= 979, nxpk= 25, iat= 488, 492, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 32 VAL HA 32 VAL HB 3.50 (# 980:25 Unique 2.32, 2.36 A
)
&rst
ixpk= 980, nxpk= 25, iat= 490, 492, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 32 VAL MGY 32 VAL HB 2.80 (# 981:25 Unique 2.32, 2.64 A
)
&rst
ixpk= 981, nxpk= 25, iat= -1, 492, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 494, 495, 496, 498, 499, 500,
&end
#
# 32 VAL MGX 32 VAL HB 2.80 (# 982:25 Unique 2.32, 2.64 A
)
&rst
ixpk= 982, nxpk= 25, iat= -1, 492, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 494, 495, 496, 498, 499, 500,
&end
#
# 19 GLU HA 32 VAL HB 4.50 (# 983:25 Unique 4.15, 4.26 A
)
&rst
ixpk= 983, nxpk= 25, iat= 308, 492, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 97 GLU HA 97 GLU HB+ 3.50 (# 984:25 Unique 2.57, 2.83 A
)
&rst
ixpk= 984, nxpk= 25, iat=1435, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1437,1438,
&end
#
# 49 MET HG+ 49 MET HB+ 2.80 (# 985:25 Unique 2.21, 2.51 A
)
&rst
ixpk= 985, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 734, 735,
igr2= 731, 732,
&end
#
# 7 VAL HN 7 VAL HB 3.50 (# 988:25 Unique 2.37, 2.70 A
)
&rst
ixpk= 988, nxpk= 25, iat= 118, 122, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 78 SER HA 7 VAL HB 2.80 (# 989:25 Unique 2.10, 2.36 A
)
&rst
ixpk= 989, nxpk= 25, iat=1152, 122, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 7 VAL MGY 7 VAL HB 2.80 (# 990:25 Unique 2.35, 2.65 A
)
&rst
ixpk= 990, nxpk= 25, iat= -1, 122, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 124, 125, 126, 128, 129, 130,
&end
#
# 7 VAL MGX 7 VAL HB 2.80 (# 991:25 Unique 2.35, 2.65 A
)
&rst
ixpk= 991, nxpk= 25, iat= -1, 122, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 124, 125, 126, 128, 129, 130,
&end
#
# 97 GLU HG- 97 GLU HB+ 2.80 (# 994:25 Unique 2.32, 2.73 A
)
&rst
ixpk= 994, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1440,1441,
igr2=1437,1438,
&end
#
# 99 TRP HE1 97 GLU HB+ 3.50 (# 995:25 Unique 2.37, 2.81 A
)
&rst
ixpk= 995, nxpk= 25, iat=1470, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1437,1438,
&end
#
# 0 AMB 25-2:996 4 VAL HB 4.50 (# 996:25 Single Ambig
)
&rst
ixpk= 996, nxpk= 25, iat= -1, 69, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 494, 495, 496, 498, 499, 500,1931,1932,
&end
#
# 77 ILE QD1 97 GLU HB- 2.80 (# 998:25 Unique 2.13, 3.71 A
)
&rst
ixpk= 998, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1144,1145,1146,
igr2=1437,1438,
&end
#
# 111 VAL MGX 107 GLN HG- 4.50 (# 999:25 Unique 2.30, 4.68 A
)
&rst
ixpk= 999, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1648,1649,1650,1652,1653,1654,
igr2=1587,1588,
&end
#
# 4 VAL HN 4 VAL HB 2.80 (# 1000:25 Unique 2.39, 2.68 A
)
&rst
ixpk= 1000, nxpk= 25, iat= 65, 69, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 32 VAL HA 4 VAL HB 4.50 (# 1001:25 Unique 2.89, 3.98 A
)
&rst
ixpk= 1001, nxpk= 25, iat= 490, 69, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:1002 4 VAL HB 2.80 (# 1002:25 Single Ambig
)
&rst
ixpk= 1002, nxpk= 25, iat= -1, 69, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 71, 72, 73, 75, 76, 77,1105,1106,1107,1109,
1110,1111,
&end
#
# 4 VAL MGY 4 VAL HB 2.80 (# 1003:25 Unique 2.39, 2.65 A
)
&rst
ixpk= 1003, nxpk= 25, iat= -1, 69, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 71, 72, 73, 75, 76, 77,
&end
#
# 118 GLN HB- 118 GLN HG+ 2.80 (# 1004:25 Unique 2.23, 2.73 A
)
&rst
ixpk= 1004, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1767,1768,
igr2=1770,1771,
&end
#
# 49 MET HN 49 MET HG+ 3.50 (# 1005:25 Unique 2.14, 3.17 A
)
&rst
ixpk= 1005, nxpk= 25, iat= 727, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 734, 735,
&end
#
# 49 MET ME 49 MET HG+ 3.50 (# 1006:25 Unique 2.29, 3.60 A
)
&rst
ixpk= 1006, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 738, 739, 740,
igr2= 734, 735,
&end
#
# 49 MET HB+ 49 MET HG+ 3.50 (# 1007:25 Unique 2.21, 2.51 A
)
&rst
ixpk= 1007, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 731, 732,
igr2= 734, 735,
&end
#
# 118 GLN HN 118 GLN HG- 3.50 (# 1008:25 Unique 2.12, 2.87 A
)
&rst
ixpk= 1008, nxpk= 25, iat=1763, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1770,1771,
&end
#
# 107 GLN HN 107 GLN HG+ 3.50 (# 1009:25 Unique 2.16, 2.96 A
)
&rst
ixpk= 1009, nxpk= 25, iat=1580, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1587,1588,
&end
#
# 107 GLN HE2+ 107 GLN HG+ 3.50 (# 1010:25 Unique 2.42, 3.08 A
)
&rst
ixpk= 1010, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1592,1593,
igr2=1587,1588,
&end
#
# 104 PRO HA 107 GLN HG+ 3.50 (# 1012:25 Unique 2.03, 2.27 A
)
&rst
ixpk= 1012, nxpk= 25, iat=1557, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1587,1588,
&end
#
# 111 VAL MGX 107 GLN HG+ 3.50 (# 1014:25 Unique 2.30, 4.68 A
)
&rst
ixpk= 1014, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1648,1649,1650,1652,1653,1654,
igr2=1587,1588,
&end
#
# 107 GLN HE2+ 107 GLN HG- 3.50 (# 1015:25 Unique 2.42, 3.08 A
)
&rst
ixpk= 1015, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1592,1593,
igr2=1587,1588,
&end
#
# 107 GLN HN 107 GLN HG- 3.50 (# 1017:25 Unique 2.16, 2.96 A
)
&rst
ixpk= 1017, nxpk= 25, iat=1580, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1587,1588,
&end
#
# 108 SER HN 107 GLN HG- 4.50 (# 1018:25 Unique 4.40, 4.60 A
)
&rst
ixpk= 1018, nxpk= 25, iat=1597, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1587,1588,
&end
#
# 118 GLN HN 118 GLN HG+ 3.50 (# 1021:25 Unique 2.12, 2.87 A
)
&rst
ixpk= 1021, nxpk= 25, iat=1763, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1770,1771,
&end
#
# 118 GLN HA 118 GLN HG+ 3.50 (# 1022:25 Unique 2.27, 2.94 A
)
&rst
ixpk= 1022, nxpk= 25, iat=1765, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1770,1771,
&end
#
# 45 THR MG2 49 MET HG+ 3.50 (# 1023:25 Unique 2.97, 4.75 A
)
&rst
ixpk= 1023, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 680, 681, 682,
igr2= 734, 735,
&end
#
# 118 GLN HA 118 GLN HG- 3.50 (# 1024:25 Unique 2.27, 2.94 A
)
&rst
ixpk= 1024, nxpk= 25, iat=1765, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1770,1771,
&end
#
# 1 MET HA 1 MET HB+ 2.80 (# 1026:25 Unique 2.35, 2.74 A
)
&rst
ixpk= 1026, nxpk= 25, iat= 6, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 8, 9,
&end
#
# 2 LYS HN 2 LYS HB+ 3.50 (# 1027:25 Unique 2.29, 3.04 A
)
&rst
ixpk= 1027, nxpk= 25, iat= 21, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 25, 26,
&end
#
# 2 LYS HA 2 LYS HB+ 3.50 (# 1028:25 Unique 2.42, 2.80 A
)
&rst
ixpk= 1028, nxpk= 25, iat= 23, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 25, 26,
&end
#
# 3 LYS HN 0 AMB 25-1:1030 3.50 (# 1030:25 Single Ambig
)
&rst
ixpk= 1030, nxpk= 25, iat= 43, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 47, 48, 25, 26,
&end
#
# 73 TYR HA 3 LYS HB+ 3.50 (# 1031:25 Unique 2.09, 2.20 A
)
&rst
ixpk= 1031, nxpk= 25, iat=1068, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 47, 48,
&end
#
# 3 LYS HG+ 3 LYS HB+ 3.50 (# 1032:25 Unique 2.29, 2.77 A
)
&rst
ixpk= 1032, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 50, 51,
igr2= 47, 48,
&end
#
# 1 MET HA 1 MET HB- 3.50 (# 1033:25 Unique 2.35, 2.74 A
)
&rst
ixpk= 1033, nxpk= 25, iat= 6, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 8, 9,
&end
#
# 0 AMB 25-2:1034 0 AMB 25-1:1034 3.50 (# 1034:25 Double Ambig
)
&rst
ixpk= 1034, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 50, 51, 50, 51,
igr2= 47, 48, 8, 9,
&end
#
# 3 LYS HN 3 LYS HB- 3.50 (# 1035:25 Unique 2.15, 2.98 A
)
&rst
ixpk= 1035, nxpk= 25, iat= 43, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 47, 48,
&end
#
# 3 LYS HA 3 LYS HB- 3.50 (# 1036:25 Unique 2.67, 2.86 A
)
&rst
ixpk= 1036, nxpk= 25, iat= 45, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 47, 48,
&end
#
# 1 MET HG- 1 MET HB- 2.80 (# 1037:25 Unique 2.31, 2.75 A
)
&rst
ixpk= 1037, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 11, 12,
igr2= 8, 9,
&end
#
# 73 TYR HA 3 LYS HB- 3.50 (# 1038:25 Unique 2.09, 2.20 A
)
&rst
ixpk= 1038, nxpk= 25, iat=1068, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 47, 48,
&end
#
# 2 LYS HA 2 LYS HB- 3.50 (# 1039:25 Unique 2.42, 2.80 A
)
&rst
ixpk= 1039, nxpk= 25, iat= 23, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 25, 26,
&end
#
# 30 ILE QG2 2 LYS HB- 3.50 (# 1040:25 Unique 2.07, 3.37 A
)
&rst
ixpk= 1040, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 465, 466, 467,
igr2= 25, 26,
&end
#
# 43 HIS HN 43 HIS HB- 3.50 (# 1042:25 Unique 2.19, 2.45 A
)
&rst
ixpk= 1042, nxpk= 25, iat= 643, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 647, 648,
&end
#
# 43 HIS HN 43 HIS HB+ 3.50 (# 1045:25 Unique 2.19, 2.45 A
)
&rst
ixpk= 1045, nxpk= 25, iat= 643, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 647, 648,
&end
#
# 46 ALA MB 43 HIS HB+ 3.50 (# 1047:25 Unique 2.46, 4.34 A
)
&rst
ixpk= 1047, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 692, 693, 694,
igr2= 647, 648,
&end
#
# 49 MET HG+ 50 MET HG+ 4.50 (# 1050:25 Unique 4.86, 5.93 A
)
&rst
ixpk= 1050, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 734, 735,
igr2= 751, 752,
&end
#
# 0 AMB 25-2:1051 0 AMB 25-1:1051 5.50 (# 1051:25 Double Ambig
)
&rst
ixpk= 1051, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 837, 838, 783, 784,
igr2= 751, 752, 751, 752,
&end
#
# 50 MET ME 50 MET HG+ 3.50 (# 1052:25 Unique 2.41, 3.67 A
)
&rst
ixpk= 1052, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 755, 756, 757,
igr2= 751, 752,
&end
#
# 1 MET HG- 1 MET HB+ 2.80 (# 1053:25 Unique 2.31, 2.75 A
)
&rst
ixpk= 1053, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 11, 12,
igr2= 8, 9,
&end
#
# 17 MET HG+ 17 MET HB+ 3.50 (# 1055:25 Unique 2.35, 2.76 A
)
&rst
ixpk= 1055, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 286, 287,
igr2= 283, 284,
&end
#
# 100 GLN HA 100 GLN HG+ 3.50 (# 1056:25 Unique 2.40, 2.85 A
)
&rst
ixpk= 1056, nxpk= 25, iat=1486, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1491,1492,
&end
#
# 17 MET HB- 17 MET HG- 2.80 (# 1057:25 Unique 2.35, 2.76 A
)
&rst
ixpk= 1057, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 283, 284,
igr2= 286, 287,
&end
#
# 100 GLN HA 100 GLN HG- 3.50 (# 1058:25 Unique 2.40, 2.85 A
)
&rst
ixpk= 1058, nxpk= 25, iat=1486, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1491,1492,
&end
#
# 17 MET HG+ 17 MET HB- 2.80 (# 1059:25 Unique 2.35, 2.76 A
)
&rst
ixpk= 1059, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 286, 287,
igr2= 283, 284,
&end
#
# 93 GLN HE2- 93 GLN HG- 3.50 (# 1060:25 Unique 2.21, 3.24 A
)
&rst
ixpk= 1060, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1374,1375,
igr2=1369,1370,
&end
#
# 0 AMB 25-2:1061 93 GLN HG- 2.80 (# 1061:25 Single Ambig
)
&rst
ixpk= 1061, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1366,1367,1070,1071,
igr2=1369,1370,
&end
#
# 0 AMB 25-2:1063 0 AMB 25-1:1063 3.50 (# 1063:25 Double Ambig
)
&rst
ixpk= 1063, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1978,1979,1980,1407,1408,1409,
igr2=1954,1955,1954,1955,
&end
#
# 129 LYS HA 129 LYS HB+ 2.80 (# 1064:25 Unique 2.47, 2.76 A
)
&rst
ixpk= 1064, nxpk= 25, iat=1952, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1954,1955,
&end
#
# 129 LYS HN 129 LYS HB+ 2.80 (# 1065:25 Unique 2.28, 2.93 A
)
&rst
ixpk= 1065, nxpk= 25, iat=1950, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1954,1955,
&end
#
# 0 AMB 25-2:1070 0 AMB 25-1:1070 3.50 (# 1070:25 Double Ambig
)
&rst
ixpk= 1070, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
igr1= 283, 284, 290, 291, 292,
igr2= 286, 287, 286, 287,
&end
#
# 93 GLN HE2- 93 GLN HG+ 3.50 (# 1071:25 Unique 2.21, 3.24 A
)
&rst
ixpk= 1071, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1374,1375,
igr2=1369,1370,
&end
#
# 93 GLN HB- 93 GLN HG+ 3.50 (# 1073:25 Unique 2.37, 2.60 A
)
&rst
ixpk= 1073, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1366,1367,
igr2=1369,1370,
&end
#
# 76 VAL MGX 93 GLN HG+ 3.50 (# 1074:25 Unique 2.39, 4.60 A
)
&rst
ixpk= 1074, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1121,1122,1123,1125,1126,1127,
igr2=1369,1370,
&end
#
# 93 GLN HN 93 GLN HG- 3.50 (# 1076:25 Unique 2.46, 3.28 A
)
&rst
ixpk= 1076, nxpk= 25, iat=1362, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1369,1370,
&end
#
# 38 GLU HA 38 GLU HB+ 2.80 (# 1077:25 Unique 2.49, 2.80 A
)
&rst
ixpk= 1077, nxpk= 25, iat= 568, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 570, 571,
&end
#
# 0 AMB 25-2:1078 0 AMB 25-1:1078 2.80 (# 1078:25 Double Ambig
)
&rst
ixpk= 1078, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.03, r4= 6.78,
igr1=1960,1961,1960,1961,1366,1367, 155, 156, 152, 153,
igr2=1954,1955,1954,1955,1369,1370, 149, 150, 149, 150,
&end
#
# 0 AMB 25-2:1079 0 AMB 25-1:1079 2.80 (# 1079:25 Double Ambig
)
&rst
ixpk= 1079, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1957,1958, 174, 175,
igr2=1954,1955, 149, 150,
&end
#
# 38 GLU HA 38 GLU HB- 2.80 (# 1080:25 Unique 2.49, 2.80 A
)
&rst
ixpk= 1080, nxpk= 25, iat= 568, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 570, 571,
&end
#
# 84 VAL HN 84 VAL HB 2.80 (# 1081:25 Unique 2.24, 2.49 A
)
&rst
ixpk= 1081, nxpk= 25, iat=1216,1220, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 84 VAL HA 84 VAL HB 2.80 (# 1082:25 Unique 2.99, 3.00 A
)
&rst
ixpk= 1082, nxpk= 25, iat=1218,1220, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 80 CYS HB- 84 VAL HB 2.80 (# 1083:25 Unique 2.11, 2.81 A
)
&rst
ixpk= 1083, nxpk= 25, iat= -1,1220, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1184,1185,
&end
#
# 9 LYS HA 9 LYS HB+ 3.50 (# 1086:25 Unique 2.40, 2.79 A
)
&rst
ixpk= 1086, nxpk= 25, iat= 147, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 149, 150,
&end
#
# 9 LYS HA 9 LYS HB- 3.50 (# 1087:25 Unique 2.40, 2.79 A
)
&rst
ixpk= 1087, nxpk= 25, iat= 147, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 149, 150,
&end
#
# 44 PRO HA 44 PRO HB+ 2.80 (# 1089:25 Unique 2.28, 2.53 A
)
&rst
ixpk= 1089, nxpk= 25, iat= 670, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 667, 668,
&end
#
# 44 PRO HA 44 PRO HB- 2.80 (# 1090:25 Unique 2.28, 2.53 A
)
&rst
ixpk= 1090, nxpk= 25, iat= 670, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 667, 668,
&end
#
# 5 MET HB- 5 MET HG+ 2.80 (# 1093:25 Unique 2.33, 2.68 A
)
&rst
ixpk= 1093, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 85, 86,
igr2= 88, 89,
&end
#
# 0 AMB 25-2:1094 0 AMB 25-1:1094 3.50 (# 1094:25 Double Ambig
)
&rst
ixpk= 1094, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 124, 125, 126, 128, 129, 130, 92, 93, 94,
igr2= 88, 89, 88, 89,
&end
#
# 7 VAL MGX 5 MET HG+ 4.50 (# 1095:25 Unique 2.15, 4.56 A
)
&rst
ixpk= 1095, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 124, 125, 126, 128, 129, 130,
igr2= 88, 89,
&end
#
# 64 PRO HA 64 PRO HB+ 3.50 (# 1096:25 Unique 2.29, 2.52 A
)
&rst
ixpk= 1096, nxpk= 25, iat= 946, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 943, 944,
&end
#
# 88 PRO HA 88 PRO HB+ 2.80 (# 1098:25 Unique 2.31, 2.54 A
)
&rst
ixpk= 1098, nxpk= 25, iat=1289, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1286,1287,
&end
#
# 88 PRO HD+ 88 PRO HB+ 3.50 (# 1099:25 Unique 2.49, 3.55 A
)
&rst
ixpk= 1099, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1280,1281,
igr2=1286,1287,
&end
#
# 0 AMB 25-2:1100 0 AMB 25-1:1100 2.80 (# 1100:25 Double Ambig
)
&rst
ixpk= 1100, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1283,1284,1300,1301,1300,1301,
igr2=1286,1287,1286,1287,1286,1287,
&end
#
# 23 LYS HN 23 LYS HB+ 3.50 (# 1102:25 Unique 2.52, 3.17 A
)
&rst
ixpk= 1102, nxpk= 25, iat= 358, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 362, 363,
&end
#
# 41 ARG HD+ 41 ARG HB+ 2.80 (# 1104:25 Unique 2.34, 3.15 A
)
&rst
ixpk= 1104, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 613, 614,
igr2= 607, 608,
&end
#
# 88 PRO HA 88 PRO HB- 2.80 (# 1106:25 Unique 2.31, 2.54 A
)
&rst
ixpk= 1106, nxpk= 25, iat=1289, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1286,1287,
&end
#
# 23 LYS HN 23 LYS HB- 2.80 (# 1108:25 Unique 2.52, 3.17 A
)
&rst
ixpk= 1108, nxpk= 25, iat= 358, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 362, 363,
&end
#
# 23 LYS HA 23 LYS HB- 2.80 (# 1109:25 Unique 2.31, 2.40 A
)
&rst
ixpk= 1109, nxpk= 25, iat= 360, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 362, 363,
&end
#
# 23 LYS HG- 23 LYS HB- 2.80 (# 1110:25 Unique 2.37, 2.75 A
)
&rst
ixpk= 1110, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 365, 366,
igr2= 362, 363,
&end
#
# 42 VAL HN 41 ARG HB- 3.50 (# 1111:25 Unique 2.48, 3.40 A
)
&rst
ixpk= 1111, nxpk= 25, iat= 627, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 607, 608,
&end
#
# 41 ARG HD+ 41 ARG HB- 3.50 (# 1115:25 Unique 2.34, 3.15 A
)
&rst
ixpk= 1115, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 613, 614,
igr2= 607, 608,
&end
#
# 120 LYS HA 120 LYS HB- 3.50 (# 1116:25 Unique 2.45, 2.78 A
)
&rst
ixpk= 1116, nxpk= 25, iat=1798, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1800,1801,
&end
#
# 115 VAL HN 115 VAL HB 2.80 (# 1118:25 Unique 2.21, 2.34 A
)
&rst
ixpk= 1118, nxpk= 25, iat=1716,1720, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 115 VAL HA 115 VAL HB 2.80 (# 1119:25 Unique 2.99, 3.00 A
)
&rst
ixpk= 1119, nxpk= 25, iat=1718,1720, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 112 PHE HA 115 VAL HB 3.50 (# 1120:25 Unique 2.99, 3.12 A
)
&rst
ixpk= 1120, nxpk= 25, iat=1660,1720, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:1121 115 VAL HB 2.80 (# 1121:25 Single Ambig
)
&rst
ixpk= 1121, nxpk= 25, iat= -1,1720, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1722,1723,1724,1726,1727,1728,1722,1723,1724,1726,
1727,1728,
&end
#
# 120 LYS HN 120 LYS HB+ 3.50 (# 1122:25 Unique 2.31, 2.51 A
)
&rst
ixpk= 1122, nxpk= 25, iat=1796, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1800,1801,
&end
#
# 0 AMB 25-2:1123 0 AMB 25-1:1123 3.50 (# 1123:25 Double Ambig
)
&rst
ixpk= 1123, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1818, 338, 342,
igr2=1800,1801,1800,1801,
&end
#
# 120 LYS HG+ 120 LYS HB- 3.50 (# 1125:25 Unique 2.46, 2.77 A
)
&rst
ixpk= 1125, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1803,1804,
igr2=1800,1801,
&end
#
# 119 VAL HN 119 VAL HB 2.80 (# 1126:25 Unique 2.36, 2.39 A
)
&rst
ixpk= 1126, nxpk= 25, iat=1780,1784, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 35 CYS HA 35 CYS HB+ 3.50 (# 1127:25 Unique 2.38, 2.63 A
)
&rst
ixpk= 1127, nxpk= 25, iat= 531, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 533, 534,
&end
#
# 119 VAL HA 119 VAL HB 3.50 (# 1128:25 Unique 3.04, 3.05 A
)
&rst
ixpk= 1128, nxpk= 25, iat=1782,1784, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 1 MET HA 1 MET HG+ 3.50 (# 1129:25 Unique 2.40, 2.90 A
)
&rst
ixpk= 1129, nxpk= 25, iat= 6, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 11, 12,
&end
#
# 1 MET HA 1 MET HG- 3.50 (# 1130:25 Unique 2.40, 2.90 A
)
&rst
ixpk= 1130, nxpk= 25, iat= 6, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 11, 12,
&end
#
# 10 ARG HA 10 ARG HB- 3.50 (# 1131:25 Unique 2.28, 2.47 A
)
&rst
ixpk= 1131, nxpk= 25, iat= 169, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 171, 172,
&end
#
# 10 ARG HD- 10 ARG HB- 2.80 (# 1133:25 Unique 2.28, 3.19 A
)
&rst
ixpk= 1133, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 177, 178,
igr2= 171, 172,
&end
#
# 0 AMB 25-2:1135 0 AMB 25-1:1135 3.50 (# 1135:25 Double Ambig
)
&rst
ixpk= 1135, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1736,1737,1739,1740,
igr2=1685,1686,1685,1686,
&end
#
# 120 LYS HN 119 VAL HB 3.50 (# 1141:25 Unique 2.61, 2.76 A
)
&rst
ixpk= 1141, nxpk= 25, iat=1796,1784, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 116 ARG HA 0 AMB 25-1:1142 2.80 (# 1142:25 Single Ambig
)
&rst
ixpk= 1142, nxpk= 25, iat=1734, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1736,1737,1784,
&end
#
# 0 AMB 25-2:1143 0 AMB 25-1:1143 2.80 (# 1143:25 Double Ambig
)
&rst
ixpk= 1143, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.61, r4= 5.36,
igr1= 510, 511, 512, 960, 961,
igr2= 533, 534, 533, 534,
&end
#
# 1 MET HB- 1 MET HG+ 3.50 (# 1144:25 Unique 2.31, 2.75 A
)
&rst
ixpk= 1144, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 8, 9,
igr2= 11, 12,
&end
#
# 0 AMB 25-2:1145 123 VAL HB 2.80 (# 1145:25 Single Ambig
)
&rst
ixpk= 1145, nxpk= 25, iat= -1,1861, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1857,1873,
&end
#
# 112 PHE HN 111 VAL HB 3.50 (# 1153:25 Unique 2.43, 2.49 A
)
&rst
ixpk= 1153, nxpk= 25, iat=1658,1646, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 111 VAL HN 111 VAL HB 2.80 (# 1154:25 Unique 2.35, 2.39 A
)
&rst
ixpk= 1154, nxpk= 25, iat=1642,1646, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 111 VAL HA 111 VAL HB 3.50 (# 1155:25 Unique 3.02, 3.02 A
)
&rst
ixpk= 1155, nxpk= 25, iat=1644,1646, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 111 VAL MGY 111 VAL HB 2.80 (# 1156:25 Unique 2.38, 2.67 A
)
&rst
ixpk= 1156, nxpk= 25, iat= -1,1646, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1648,1649,1650,1652,1653,1654,
&end
#
# 111 VAL MGX 111 VAL HB 2.80 (# 1157:25 Unique 2.38, 2.67 A
)
&rst
ixpk= 1157, nxpk= 25, iat= -1,1646, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1648,1649,1650,1652,1653,1654,
&end
#
# 0 AMB 25-2:1158 0 AMB 25-1:1158 3.50 (# 1158:25 Double Ambig
)
&rst
ixpk= 1158, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 629,1859,
igr2= 269, 270,1861,
&end
#
# 120 LYS HA 123 VAL HB 3.50 (# 1159:25 Unique 2.57, 2.70 A
)
&rst
ixpk= 1159, nxpk= 25, iat=1798,1861, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 123 VAL MGY 123 VAL HB 2.80 (# 1160:25 Unique 2.32, 2.64 A
)
&rst
ixpk= 1160, nxpk= 25, iat= -1,1861, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1863,1864,1865,1867,1868,1869,
&end
#
# 123 VAL MGX 123 VAL HB 2.80 (# 1161:25 Unique 2.32, 2.64 A
)
&rst
ixpk= 1161, nxpk= 25, iat= -1,1861, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1863,1864,1865,1867,1868,1869,
&end
#
# 42 VAL HN 42 VAL HB 2.80 (# 1162:25 Unique 2.76, 2.80 A
)
&rst
ixpk= 1162, nxpk= 25, iat= 627, 631, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 42 VAL MGY 42 VAL HB 2.80 (# 1163:25 Unique 2.29, 2.63 A
)
&rst
ixpk= 1163, nxpk= 25, iat= -1, 631, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 633, 634, 635, 637, 638, 639,
&end
#
# 91 VAL HA 91 VAL HB 2.80 (# 1164:25 Unique 2.40, 2.55 A
)
&rst
ixpk= 1164, nxpk= 25, iat=1334,1336, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 91 VAL MGX 91 VAL HB 2.80 (# 1165:25 Unique 2.32, 2.63 A
)
&rst
ixpk= 1165, nxpk= 25, iat= -1,1336, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1338,1339,1340,1342,1343,1344,
&end
#
# 91 VAL MGY 91 VAL HB 2.80 (# 1166:25 Unique 2.32, 2.63 A
)
&rst
ixpk= 1166, nxpk= 25, iat= -1,1336, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1338,1339,1340,1342,1343,1344,
&end
#
# 104 PRO HA 104 PRO HB+ 3.50 (# 1172:25 Unique 2.27, 2.64 A
)
&rst
ixpk= 1172, nxpk= 25, iat=1557, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1554,1555,
&end
#
# 104 PRO HG- 104 PRO HB+ 3.50 (# 1174:25 Unique 2.32, 2.61 A
)
&rst
ixpk= 1174, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1551,1552,
igr2=1554,1555,
&end
#
# 104 PRO HA 104 PRO HB- 3.50 (# 1176:25 Unique 2.27, 2.64 A
)
&rst
ixpk= 1176, nxpk= 25, iat=1557, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1554,1555,
&end
#
# 104 PRO HG+ 104 PRO HB- 3.50 (# 1177:25 Unique 2.32, 2.61 A
)
&rst
ixpk= 1177, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1551,1552,
igr2=1554,1555,
&end
#
# 104 PRO HG- 104 PRO HB- 3.50 (# 1178:25 Unique 2.32, 2.61 A
)
&rst
ixpk= 1178, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1551,1552,
igr2=1554,1555,
&end
#
# 53 VAL MGY 53 VAL HB 2.80 (# 1185:25 Unique 2.39, 2.67 A
)
&rst
ixpk= 1185, nxpk= 25, iat= -1, 795, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 797, 798, 799, 801, 802, 803,
&end
#
# 52 GLU HN 52 GLU HB+ 3.50 (# 1186:25 Unique 2.53, 3.14 A
)
&rst
ixpk= 1186, nxpk= 25, iat= 776, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 780, 781,
&end
#
# 52 GLU HA 52 GLU HB+ 3.50 (# 1187:25 Unique 2.42, 2.74 A
)
&rst
ixpk= 1187, nxpk= 25, iat= 778, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 780, 781,
&end
#
# 52 GLU HG+ 52 GLU HB+ 2.80 (# 1188:25 Unique 2.31, 2.77 A
)
&rst
ixpk= 1188, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 783, 784,
igr2= 780, 781,
&end
#
# 52 GLU HN 52 GLU HB- 3.50 (# 1189:25 Unique 2.53, 3.14 A
)
&rst
ixpk= 1189, nxpk= 25, iat= 776, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 780, 781,
&end
#
# 52 GLU HA 52 GLU HB- 2.80 (# 1190:25 Unique 2.42, 2.74 A
)
&rst
ixpk= 1190, nxpk= 25, iat= 778, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 780, 781,
&end
#
# 52 GLU HG+ 52 GLU HB- 2.80 (# 1191:25 Unique 2.31, 2.77 A
)
&rst
ixpk= 1191, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 783, 784,
igr2= 780, 781,
&end
#
# 90 TRP HA 90 TRP HB+ 3.50 (# 1192:25 Unique 2.37, 2.75 A
)
&rst
ixpk= 1192, nxpk= 25, iat=1310, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1312,1313,
&end
#
# 76 VAL MGY 90 TRP HB+ 3.50 (# 1193:25 Unique 2.08, 4.33 A
)
&rst
ixpk= 1193, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1121,1122,1123,1125,1126,1127,
igr2=1312,1313,
&end
#
# 90 TRP HN 90 TRP HB- 3.50 (# 1194:25 Unique 2.29, 2.98 A
)
&rst
ixpk= 1194, nxpk= 25, iat=1308, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1312,1313,
&end
#
# 127 ILE HN 127 ILE HG1- 2.80 (# 1197:25 Unique 2.13, 2.80 A
)
&rst
ixpk= 1197, nxpk= 25, iat=1921, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1931,1932,
&end
#
# 127 ILE HA 127 ILE HG1- 3.50 (# 1198:25 Unique 2.35, 2.68 A
)
&rst
ixpk= 1198, nxpk= 25, iat=1923, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1931,1932,
&end
#
# 0 AMB 25-2:1200 0 AMB 25-1:1200 2.80 (# 1200:25 Double Ambig
)
&rst
ixpk= 1200, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.11, r4= 6.86,
igr1=1722,1723,1724,1726,1727,1728,1722,1723,1724,1726,
1727,1728,1863,1864,1865,1867,1868,1869,
igr2=1524,1525,1524,1525,1931,1932,
&end
#
# 0 AMB 25-2:1201 127 ILE HG1- 2.80 (# 1201:25 Single Ambig
)
&rst
ixpk= 1201, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 472, 473, 474,1934,1935,1936,
igr2=1931,1932,
&end
#
# 102 GLU HN 102 GLU HB+ 2.80 (# 1202:25 Unique 2.28, 2.95 A
)
&rst
ixpk= 1202, nxpk= 25, iat=1520, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1524,1525,
&end
#
# 102 GLU HA 102 GLU HB+ 2.80 (# 1203:25 Unique 2.46, 2.79 A
)
&rst
ixpk= 1203, nxpk= 25, iat=1522, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1524,1525,
&end
#
# 102 GLU HN 102 GLU HB- 3.50 (# 1204:25 Unique 2.28, 2.95 A
)
&rst
ixpk= 1204, nxpk= 25, iat=1520, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1524,1525,
&end
#
# 102 GLU HA 102 GLU HB- 2.80 (# 1205:25 Unique 2.46, 2.79 A
)
&rst
ixpk= 1205, nxpk= 25, iat=1522, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1524,1525,
&end
#
# 102 GLU HG+ 102 GLU HB- 2.80 (# 1206:25 Unique 2.25, 2.72 A
)
&rst
ixpk= 1206, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1527,1528,
igr2=1524,1525,
&end
#
# 0 AMB 25-2:1207 102 GLU HB- 3.50 (# 1207:25 Single Ambig
)
&rst
ixpk= 1207, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1722,1723,1724,1726,1727,1728,1722,1723,1724,1726,
1727,1728,
igr2=1524,1525,
&end
#
# 127 ILE HN 127 ILE HG1+ 3.50 (# 1208:25 Unique 2.13, 2.80 A
)
&rst
ixpk= 1208, nxpk= 25, iat=1921, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1931,1932,
&end
#
# 127 ILE HA 127 ILE HG1+ 3.50 (# 1209:25 Unique 2.35, 2.68 A
)
&rst
ixpk= 1209, nxpk= 25, iat=1923, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1931,1932,
&end
#
# 0 AMB 25-2:1211 0 AMB 25-1:1211 2.80 (# 1211:25 Double Ambig
)
&rst
ixpk= 1211, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 472, 473, 474,1934,1935,1936,
igr2=1931,1932,1931,1932,
&end
#
# 108 SER HN 107 GLN HB+ 3.50 (# 1218:25 Unique 1.98, 2.57 A
)
&rst
ixpk= 1218, nxpk= 25, iat=1597, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1584,1585,
&end
#
# 108 SER HN 107 GLN HB- 3.50 (# 1221:25 Unique 1.98, 2.57 A
)
&rst
ixpk= 1221, nxpk= 25, iat=1597, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1584,1585,
&end
#
# 121 GLU HN 121 GLU HB+ 2.80 (# 1222:25 Unique 1.95, 2.53 A
)
&rst
ixpk= 1222, nxpk= 25, iat=1818, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1822,1823,
&end
#
# 121 GLU HA 121 GLU HB+ 2.80 (# 1223:25 Unique 2.26, 2.64 A
)
&rst
ixpk= 1223, nxpk= 25, iat=1820, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1822,1823,
&end
#
# 124 GLU HN 124 GLU HB- 2.80 (# 1224:25 Unique 2.44, 3.05 A
)
&rst
ixpk= 1224, nxpk= 25, iat=1873, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1877,1878,
&end
#
# 121 GLU HN 121 GLU HB- 2.80 (# 1225:25 Unique 1.95, 2.53 A
)
&rst
ixpk= 1225, nxpk= 25, iat=1818, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1822,1823,
&end
#
# 121 GLU HA 0 AMB 25-1:1226 2.80 (# 1226:25 Single Ambig
)
&rst
ixpk= 1226, nxpk= 25, iat=1820, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2=1822,1823,1877,1878,
&end
#
# 0 AMB 25-2:1229 0 AMB 25-1:1229 2.80 (# 1229:25 Double Ambig
)
&rst
ixpk= 1229, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=1222,1223,1224,1226,1227,1228,1222,1223,1224,1226,
1227,1228,1400,1401,1402,
igr2= 155, 156,1960,1961,
&end
#
# 126 LEU HA 0 AMB 25-1:1231 3.50 (# 1231:25 Single Ambig
)
&rst
ixpk= 1231, nxpk= 25, iat=1904, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2=1960,1961,1960,1961,
&end
#
# 0 AMB 25-2:1232 0 AMB 25-1:1232 2.80 (# 1232:25 Double Ambig
)
&rst
ixpk= 1232, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1963,1964,1963,1964,1184,1185,
igr2=1960,1961,1960,1961, 155, 156,
&end
#
# 46 ALA MB 47 ILE HG1- 3.50 (# 1234:25 Unique 3.00, 5.02 A
)
&rst
ixpk= 1234, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 692, 693, 694,
igr2= 708, 709,
&end
#
# 47 ILE QD1 47 ILE HG1- 2.80 (# 1235:25 Unique 2.37, 2.65 A
)
&rst
ixpk= 1235, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 711, 712, 713,
igr2= 708, 709,
&end
#
# 94 GLU HN 94 GLU HB+ 3.50 (# 1236:25 Unique 2.26, 2.67 A
)
&rst
ixpk= 1236, nxpk= 25, iat=1379, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1383,1384,
&end
#
# 94 GLU HA 94 GLU HB+ 3.50 (# 1237:25 Unique 2.42, 2.79 A
)
&rst
ixpk= 1237, nxpk= 25, iat=1381, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1383,1384,
&end
#
# 124 GLU HN 124 GLU HB+ 3.50 (# 1241:25 Unique 2.44, 3.05 A
)
&rst
ixpk= 1241, nxpk= 25, iat=1873, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1877,1878,
&end
#
# 124 GLU HA 124 GLU HB+ 3.50 (# 1242:25 Unique 2.51, 2.80 A
)
&rst
ixpk= 1242, nxpk= 25, iat=1875, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1877,1878,
&end
#
# 125 ASN HN 124 GLU HB+ 3.50 (# 1244:25 Unique 2.58, 3.10 A
)
&rst
ixpk= 1244, nxpk= 25, iat=1888, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1877,1878,
&end
#
# 0 AMB 25-2:1245 0 AMB 25-1:1245 2.80 (# 1245:25 Double Ambig
)
&rst
ixpk= 1245, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1820, 763,
igr2=1877,1878, 765, 766,
&end
#
# 111 VAL MGY 0 AMB 25-1:1246 3.50 (# 1246:25 Single Ambig
)
&rst
ixpk= 1246, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1648,1649,1650,1652,1653,1654,
igr2=1584,1585,1631,1632,
&end
#
# 111 VAL MGX 107 GLN HB- 3.50 (# 1248:25 Unique 2.56, 3.84 A
)
&rst
ixpk= 1248, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1648,1649,1650,1652,1653,1654,
igr2=1584,1585,
&end
#
# 124 GLU HA 124 GLU HB- 2.80 (# 1249:25 Unique 2.51, 2.80 A
)
&rst
ixpk= 1249, nxpk= 25, iat=1875, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1877,1878,
&end
#
# 9 LYS HE+ 9 LYS HD+ 3.50 (# 1251:25 Unique 2.36, 2.75 A
)
&rst
ixpk= 1251, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 158, 159,
igr2= 155, 156,
&end
#
# 9 LYS HG- 9 LYS HD+ 3.50 (# 1252:25 Unique 2.32, 2.75 A
)
&rst
ixpk= 1252, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 152, 153,
igr2= 155, 156,
&end
#
# 29 LYS HG+ 29 LYS HD+ 2.80 (# 1253:25 Unique 2.39, 2.62 A
)
&rst
ixpk= 1253, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 444, 445,
igr2= 447, 448,
&end
#
# 29 LYS HE+ 29 LYS HD- 3.50 (# 1254:25 Unique 2.42, 2.64 A
)
&rst
ixpk= 1254, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 450, 451,
igr2= 447, 448,
&end
#
# 120 LYS HE- 120 LYS HD- 3.50 (# 1257:25 Unique 2.35, 2.63 A
)
&rst
ixpk= 1257, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1809,1810,
igr2=1806,1807,
&end
#
# 120 LYS HG- 120 LYS HD- 2.80 (# 1258:25 Unique 2.35, 2.68 A
)
&rst
ixpk= 1258, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1803,1804,
igr2=1806,1807,
&end
#
# 120 LYS HG+ 120 LYS HD- 3.50 (# 1259:25 Unique 2.35, 2.68 A
)
&rst
ixpk= 1259, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1803,1804,
igr2=1806,1807,
&end
#
# 120 LYS HE+ 120 LYS HD+ 3.50 (# 1260:25 Unique 2.35, 2.63 A
)
&rst
ixpk= 1260, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1809,1810,
igr2=1806,1807,
&end
#
# 120 LYS HE- 120 LYS HD+ 3.50 (# 1261:25 Unique 2.35, 2.63 A
)
&rst
ixpk= 1261, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1809,1810,
igr2=1806,1807,
&end
#
# 120 LYS HG- 120 LYS HD+ 2.80 (# 1262:25 Unique 2.35, 2.68 A
)
&rst
ixpk= 1262, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1803,1804,
igr2=1806,1807,
&end
#
# 120 LYS HG+ 120 LYS HD+ 3.50 (# 1263:25 Unique 2.35, 2.68 A
)
&rst
ixpk= 1263, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1803,1804,
igr2=1806,1807,
&end
#
# 51 GLU HN 51 GLU HB- 3.50 (# 1271:25 Unique 2.02, 2.78 A
)
&rst
ixpk= 1271, nxpk= 25, iat= 761, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 765, 766,
&end
#
# 48 ALA HA 51 GLU HB- 3.50 (# 1273:25 Unique 2.25, 2.98 A
)
&rst
ixpk= 1273, nxpk= 25, iat= 719, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 765, 766,
&end
#
# 51 GLU HN 51 GLU HB+ 3.50 (# 1274:25 Unique 2.02, 2.78 A
)
&rst
ixpk= 1274, nxpk= 25, iat= 761, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 765, 766,
&end
#
# 48 ALA HA 51 GLU HB+ 3.50 (# 1275:25 Unique 2.25, 2.98 A
)
&rst
ixpk= 1275, nxpk= 25, iat= 719, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 765, 766,
&end
#
# 110 GLU HN 110 GLU HB- 2.80 (# 1276:25 Unique 2.08, 2.92 A
)
&rst
ixpk= 1276, nxpk= 25, iat=1627, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1631,1632,
&end
#
# 0 AMB 25-2:1278 110 GLU HB- 2.80 (# 1278:25 Single Ambig
)
&rst
ixpk= 1278, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1629,1601,1602,
igr2=1631,1632,
&end
#
# 110 GLU HN 110 GLU HB+ 3.50 (# 1279:25 Unique 2.08, 2.92 A
)
&rst
ixpk= 1279, nxpk= 25, iat=1627, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1631,1632,
&end
#
# 0 AMB 25-2:1281 0 AMB 25-1:1281 2.80 (# 1281:25 Double Ambig
)
&rst
ixpk= 1281, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1629,1601,1602,
igr2=1631,1632,1631,1632,
&end
#
# 0 AMB 25-2:1284 0 AMB 25-1:1284 3.50 (# 1284:25 Double Ambig
)
&rst
ixpk= 1284, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1763,1888,
igr2=1767,1768,1877,1878,
&end
#
# 0 AMB 25-2:1286 0 AMB 25-1:1286 4.50 (# 1286:25 Double Ambig
)
&rst
ixpk= 1286, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 768, 769,1784,
igr2= 748, 749,1767,1768,
&end
#
# 55 ILE HB 50 MET HB- 3.50 (# 1287:25 Unique 2.21, 3.12 A
)
&rst
ixpk= 1287, nxpk= 25, iat= 818, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 748, 749,
&end
#
# 101 LEU MDX 118 GLN HB- 2.80 (# 1288:25 Unique 2.23, 3.83 A
)
&rst
ixpk= 1288, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1510,1511,1512,1514,1515,1516,
igr2=1767,1768,
&end
#
# 2 LYS HA 2 LYS HD+ 3.50 (# 1289:25 Unique 2.08, 2.76 A
)
&rst
ixpk= 1289, nxpk= 25, iat= 23, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 31, 32,
&end
#
# 0 AMB 25-2:1291 0 AMB 25-1:1291 3.50 (# 1291:25 Double Ambig
)
&rst
ixpk= 1291, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1978,1979,1980,1407,1408,1409,
igr2= 31, 32, 31, 32,
&end
#
# 65 ILE HA 65 ILE HG1- 3.50 (# 1293:25 Unique 2.19, 2.58 A
)
&rst
ixpk= 1293, nxpk= 25, iat= 952, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 960, 961,
&end
#
# 65 ILE QD1 65 ILE HG1- 3.50 (# 1295:25 Unique 2.31, 2.66 A
)
&rst
ixpk= 1295, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 963, 964, 965,
igr2= 960, 961,
&end
#
# 65 ILE QD1 65 ILE HG1+ 3.50 (# 1297:25 Unique 2.31, 2.66 A
)
&rst
ixpk= 1297, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 963, 964, 965,
igr2= 960, 961,
&end
#
# 42 VAL MGY 60 GLN HB- 4.50 (# 1301:25 Unique 2.89, 7.07 A
)
&rst
ixpk= 1301, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 633, 634, 635, 637, 638, 639,
igr2= 886, 887,
&end
#
# 3 LYS HE+ 3 LYS HD+ 2.80 (# 1302:25 Unique 2.45, 2.76 A
)
&rst
ixpk= 1302, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 56, 57,
igr2= 53, 54,
&end
#
# 66 GLU HN 66 GLU HB+ 2.80 (# 1306:25 Unique 2.42, 3.05 A
)
&rst
ixpk= 1306, nxpk= 25, iat= 969, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 973, 974,
&end
#
# 6 PHE HD 79 LEU HG 4.50 (# 1314:25 Unique 3.19, 5.86 A
)
&rst
ixpk= 1314, nxpk= 25, iat= -1,1168, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 106, 114,
&end
#
# 14 ARG HB- 79 LEU HG 4.50 (# 1317:25 Unique 3.97, 4.61 A
)
&rst
ixpk= 1317, nxpk= 25, iat= -1,1168, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 231, 232,
&end
#
# 79 LEU MDX 79 LEU HG 2.80 (# 1319:25 Unique 2.30, 2.64 A
)
&rst
ixpk= 1319, nxpk= 25, iat= -1,1168, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1170,1171,1172,1174,1175,1176,
&end
#
# 95 ILE HA 95 ILE HG1- 3.50 (# 1322:25 Unique 2.27, 2.74 A
)
&rst
ixpk= 1322, nxpk= 25, iat=1396, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1404,1405,
&end
#
# 0 AMB 25-2:1323 95 ILE HG1- 2.80 (# 1323:25 Single Ambig
)
&rst
ixpk= 1323, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1386,1387,1383,1384,
igr2=1404,1405,
&end
#
# 95 ILE HA 95 ILE HG1+ 3.50 (# 1325:25 Unique 2.27, 2.74 A
)
&rst
ixpk= 1325, nxpk= 25, iat=1396, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1404,1405,
&end
#
# 95 ILE HB 95 ILE HG1+ 3.50 (# 1326:25 Unique 2.35, 2.70 A
)
&rst
ixpk= 1326, nxpk= 25, iat=1398, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1404,1405,
&end
#
# 0 AMB 25-2:1328 0 AMB 25-1:1328 2.80 (# 1328:25 Double Ambig
)
&rst
ixpk= 1328, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
igr1=1407,1408,1409,1400,1401,1402,1105,1106,1107,1109,
1110,1111,
igr2=1404,1405,1404,1405,1404,1405,
&end
#
# 47 ILE HA 57 ILE HG1- 3.50 (# 1329:25 Unique 1.94, 2.85 A
)
&rst
ixpk= 1329, nxpk= 25, iat= 700, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 855, 856,
&end
#
# 57 ILE QD1 57 ILE HG1- 3.50 (# 1330:25 Unique 2.24, 2.64 A
)
&rst
ixpk= 1330, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 858, 859, 860,
igr2= 855, 856,
&end
#
# 25 LEU HN 25 LEU HG 2.80 (# 1335:25 Unique 2.24, 2.26 A
)
&rst
ixpk= 1335, nxpk= 25, iat= 394, 401, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 25 LEU HB+ 25 LEU HG 2.80 (# 1336:25 Unique 2.56, 2.82 A
)
&rst
ixpk= 1336, nxpk= 25, iat= -1, 401, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 398, 399,
&end
#
# 0 AMB 25-2:1337 25 LEU HG 4.50 (# 1337:25 Single Ambig
)
&rst
ixpk= 1337, nxpk= 25, iat= -1, 401, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1863,1864,1865,1867,1868,1869, 797, 798, 799, 801,
802, 803,
&end
#
# 70 ALA MB 89 GLU HB+ 3.50 (# 1338:25 Unique 2.30, 4.71 A
)
&rst
ixpk= 1338, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1036,1037,1038,
igr2=1297,1298,
&end
#
# 89 GLU HN 89 GLU HB+ 3.50 (# 1339:25 Unique 2.42, 3.07 A
)
&rst
ixpk= 1339, nxpk= 25, iat=1293, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1297,1298,
&end
#
# 89 GLU HA 89 GLU HB+ 2.80 (# 1340:25 Unique 2.30, 2.72 A
)
&rst
ixpk= 1340, nxpk= 25, iat=1295, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1297,1298,
&end
#
# 0 AMB 25-2:1341 0 AMB 25-1:1341 2.80 (# 1341:25 Double Ambig
)
&rst
ixpk= 1341, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1300,1301,1300,1301,
igr2=1297,1298,1297,1298,
&end
#
# 89 GLU HA 89 GLU HB- 2.80 (# 1343:25 Unique 2.30, 2.72 A
)
&rst
ixpk= 1343, nxpk= 25, iat=1295, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1297,1298,
&end
#
# 0 AMB 25-2:1344 0 AMB 25-1:1344 2.80 (# 1344:25 Double Ambig
)
&rst
ixpk= 1344, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1300,1301,1300,1301, 149, 150,
igr2=1297,1298, 174, 175,
&end
#
# 10 ARG HD- 10 ARG HG+ 2.80 (# 1346:25 Unique 2.24, 2.64 A
)
&rst
ixpk= 1346, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 177, 178,
igr2= 174, 175,
&end
#
# 95 ILE QD1 95 ILE HG1- 2.80 (# 1347:25 Unique 2.36, 2.63 A
)
&rst
ixpk= 1347, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1407,1408,1409,
igr2=1404,1405,
&end
#
# 47 ILE HA 57 ILE HG1+ 3.50 (# 1348:25 Unique 1.94, 2.85 A
)
&rst
ixpk= 1348, nxpk= 25, iat= 700, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 855, 856,
&end
#
# 0 AMB 25-2:1349 0 AMB 25-1:1349 4.50 (# 1349:25 Double Ambig
)
&rst
ixpk= 1349, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1767,1768, 889, 890,
igr2=1508, 855, 856,
&end
#
# 0 AMB 25-2:1350 0 AMB 25-1:1350 3.50 (# 1350:25 Double Ambig
)
&rst
ixpk= 1350, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 751, 752, 849,
igr2= 855, 856, 855, 856,
&end
#
# 82 CYS HN 82 CYS HB+ 3.50 (# 1354:25 Unique 2.43, 3.25 A
)
&rst
ixpk= 1354, nxpk= 25, iat=1198, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1202,1203,
&end
#
# 82 CYS HA 82 CYS HB+ 2.80 (# 1356:25 Unique 2.34, 2.74 A
)
&rst
ixpk= 1356, nxpk= 25, iat=1200, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1202,1203,
&end
#
# 88 PRO HD+ 88 PRO HG- 2.80 (# 1357:25 Unique 2.29, 2.60 A
)
&rst
ixpk= 1357, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1280,1281,
igr2=1283,1284,
&end
#
# 88 PRO HD+ 88 PRO HG+ 2.80 (# 1358:25 Unique 2.29, 2.60 A
)
&rst
ixpk= 1358, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1280,1281,
igr2=1283,1284,
&end
#
# 44 PRO HD+ 44 PRO HG+ 2.80 (# 1359:25 Unique 2.26, 2.60 A
)
&rst
ixpk= 1359, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 661, 662,
igr2= 664, 665,
&end
#
# 24 THR HB 25 LEU HG 2.80 (# 1360:25 Unique 2.88, 2.92 A
)
&rst
ixpk= 1360, nxpk= 25, iat= 384, 401, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 44 PRO HD- 44 PRO HG- 3.50 (# 1361:25 Unique 2.26, 2.60 A
)
&rst
ixpk= 1361, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 661, 662,
igr2= 664, 665,
&end
#
# 44 PRO HD+ 44 PRO HG- 3.50 (# 1362:25 Unique 2.26, 2.60 A
)
&rst
ixpk= 1362, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 661, 662,
igr2= 664, 665,
&end
#
# 37 LEU HB+ 37 LEU HG 2.80 (# 1363:25 Unique 2.47, 2.80 A
)
&rst
ixpk= 1363, nxpk= 25, iat= -1, 554, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 551, 552,
&end
#
# 10 ARG HA 10 ARG HG+ 3.50 (# 1364:25 Unique 3.46, 3.84 A
)
&rst
ixpk= 1364, nxpk= 25, iat= 169, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 174, 175,
&end
#
# 10 ARG HB- 10 ARG HG+ 2.80 (# 1365:25 Unique 2.29, 2.76 A
)
&rst
ixpk= 1365, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 171, 172,
igr2= 174, 175,
&end
#
# 126 LEU HB+ 126 LEU HG 2.80 (# 1366:25 Unique 2.54, 2.83 A
)
&rst
ixpk= 1366, nxpk= 25, iat= -1,1909, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1906,1907,
&end
#
# 0 AMB 25-2:1367 126 LEU HG 2.80 (# 1367:25 Single Ambig
)
&rst
ixpk= 1367, nxpk= 25, iat= -1,1909, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1911,1912,1913,1915,1916,1917,1911,1912,1913,1915,
1916,1917,
&end
#
# 130 ILE QD1 126 LEU HG 3.50 (# 1368:25 Unique 3.94, 4.60 A
)
&rst
ixpk= 1368, nxpk= 25, iat= -1,1909, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1985,1986,1987,
&end
#
# 122 ARG HD+ 122 ARG HG+ 3.50 (# 1369:25 Unique 2.32, 2.76 A
)
&rst
ixpk= 1369, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1843,1844,
igr2=1840,1841,
&end
#
# 122 ARG HA 122 ARG HG- 3.50 (# 1371:25 Unique 2.49, 2.79 A
)
&rst
ixpk= 1371, nxpk= 25, iat=1835, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1840,1841,
&end
#
# 101 LEU HB+ 101 LEU HG 2.80 (# 1372:25 Unique 2.27, 2.45 A
)
&rst
ixpk= 1372, nxpk= 25, iat= -1,1508, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1505,1506,
&end
#
# 6 PHE HD 79 LEU MDX 3.50 (# 1373:25 Unique 2.08, 5.17 A
)
&rst
ixpk= 1373, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 106, 114,
igr2=1170,1171,1172,1174,1175,1176,
&end
#
# 15 SER HA 79 LEU MDX 3.50 (# 1374:25 Unique 2.13, 3.53 A
)
&rst
ixpk= 1374, nxpk= 25, iat= 253, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1170,1171,1172,1174,1175,1176,
&end
#
# 6 PHE HB- 79 LEU MDX 3.50 (# 1375:25 Unique 2.18, 4.28 A
)
&rst
ixpk= 1375, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 102, 103,
igr2=1170,1171,1172,1174,1175,1176,
&end
#
# 79 LEU HB+ 79 LEU MDX 4.50 (# 1376:25 Unique 2.32, 3.32 A
)
&rst
ixpk= 1376, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1165,1166,
igr2=1170,1171,1172,1174,1175,1176,
&end
#
# 14 ARG HB- 79 LEU MDX 3.50 (# 1377:25 Unique 2.12, 4.14 A
)
&rst
ixpk= 1377, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 231, 232,
igr2=1170,1171,1172,1174,1175,1176,
&end
#
# 79 LEU HB- 79 LEU MDX 3.50 (# 1378:25 Unique 2.32, 3.32 A
)
&rst
ixpk= 1378, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1165,1166,
igr2=1170,1171,1172,1174,1175,1176,
&end
#
# 18 ALA MB 79 LEU MDX 3.50 (# 1379:25 Unique 2.78, 4.67 A
)
&rst
ixpk= 1379, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 300, 301, 302,
igr2=1170,1171,1172,1174,1175,1176,
&end
#
# 77 ILE QG2 79 LEU MDX 3.50 (# 1380:25 Unique 2.31, 4.45 A
)
&rst
ixpk= 1380, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1137,1138,1139,
igr2=1170,1171,1172,1174,1175,1176,
&end
#
# 86 LEU HN 86 LEU HG 3.50 (# 1383:25 Unique 1.90, 2.15 A
)
&rst
ixpk= 1383, nxpk= 25, iat=1246,1253, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 86 LEU HB- 86 LEU HG 3.50 (# 1384:25 Unique 2.37, 2.76 A
)
&rst
ixpk= 1384, nxpk= 25, iat= -1,1253, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1250,1251,
&end
#
# 37 LEU HN 37 LEU HG 4.50 (# 1385:25 Unique 2.18, 2.46 A
)
&rst
ixpk= 1385, nxpk= 25, iat= 547, 554, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 37 LEU HA 37 LEU HG 3.50 (# 1386:25 Unique 2.34, 2.81 A
)
&rst
ixpk= 1386, nxpk= 25, iat= 549, 554, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 55 ILE HA 55 ILE HG1- 3.50 (# 1387:25 Unique 2.77, 2.94 A
)
&rst
ixpk= 1387, nxpk= 25, iat= 816, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 824, 825,
&end
#
# 0 AMB 25-2:1388 55 ILE HG1- 3.50 (# 1388:25 Single Ambig
)
&rst
ixpk= 1388, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.43, r4= 6.18,
igr1= 818, 797, 798, 799, 801, 802, 803,
igr2= 824, 825,
&end
#
# 55 ILE QD1 55 ILE HG1- 2.80 (# 1390:25 Unique 2.37, 2.65 A
)
&rst
ixpk= 1390, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 827, 828, 829,
igr2= 824, 825,
&end
#
# 55 ILE HA 55 ILE HG1+ 3.50 (# 1391:25 Unique 2.77, 2.94 A
)
&rst
ixpk= 1391, nxpk= 25, iat= 816, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 824, 825,
&end
#
# 55 ILE QG2 55 ILE HG1+ 3.50 (# 1392:25 Unique 2.48, 3.43 A
)
&rst
ixpk= 1392, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 820, 821, 822,
igr2= 824, 825,
&end
#
# 55 ILE QD1 55 ILE HG1+ 3.50 (# 1394:25 Unique 2.37, 2.65 A
)
&rst
ixpk= 1394, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 827, 828, 829,
igr2= 824, 825,
&end
#
# 64 PRO HD+ 64 PRO HG+ 2.80 (# 1397:25 Unique 2.30, 2.60 A
)
&rst
ixpk= 1397, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 937, 938,
igr2= 940, 941,
&end
#
# 0 AMB 25-2:1398 0 AMB 25-1:1398 2.80 (# 1398:25 Double Ambig
)
&rst
ixpk= 1398, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 988, 989, 943, 944,
igr2= 940, 941, 940, 941,
&end
#
# 109 LEU HB- 109 LEU HG 3.50 (# 1399:25 Unique 2.51, 2.78 A
)
&rst
ixpk= 1399, nxpk= 25, iat= -1,1615, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1612,1613,
&end
#
# 109 LEU MDX 109 LEU HG 2.80 (# 1400:25 Unique 2.45, 2.67 A
)
&rst
ixpk= 1400, nxpk= 25, iat= -1,1615, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1617,1618,1619,1621,1622,1623,
&end
#
# 109 LEU HN 109 LEU HG 3.50 (# 1401:25 Unique 2.20, 2.34 A
)
&rst
ixpk= 1401, nxpk= 25, iat=1608,1615, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 109 LEU MDY 109 LEU HG 2.80 (# 1402:25 Unique 2.45, 2.67 A
)
&rst
ixpk= 1402, nxpk= 25, iat= -1,1615, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1617,1618,1619,1621,1622,1623,
&end
#
# 0 AMB 25-2:1403 0 AMB 25-1:1403 3.50 (# 1403:25 Double Ambig
)
&rst
ixpk= 1403, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.32, r4= 8.07,
igr1=1554,1555,1722,1723,1724,1726,1727,1728,1722,1723,
1724,1726,1727,1728,
igr2=1551,1552,1551,1552,1551,1552,
&end
#
# 104 PRO HD+ 104 PRO HG+ 3.50 (# 1407:25 Unique 2.30, 2.60 A
)
&rst
ixpk= 1407, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1548,1549,
igr2=1551,1552,
&end
#
# 104 PRO HD+ 104 PRO HG- 3.50 (# 1409:25 Unique 2.30, 2.60 A
)
&rst
ixpk= 1409, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1548,1549,
igr2=1551,1552,
&end
#
# 94 GLU HN 93 GLN HB+ 3.50 (# 1413:25 Unique 1.99, 2.62 A
)
&rst
ixpk= 1413, nxpk= 25, iat=1379, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1366,1367,
&end
#
# 93 GLN HA 93 GLN HB+ 3.50 (# 1414:25 Unique 2.41, 2.76 A
)
&rst
ixpk= 1414, nxpk= 25, iat=1364, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1366,1367,
&end
#
# 93 GLN HG+ 93 GLN HB+ 3.50 (# 1416:25 Unique 2.37, 2.60 A
)
&rst
ixpk= 1416, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1369,1370,
igr2=1366,1367,
&end
#
# 93 GLN HG+ 93 GLN HB- 3.50 (# 1419:25 Unique 2.37, 2.60 A
)
&rst
ixpk= 1419, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1369,1370,
igr2=1366,1367,
&end
#
# 0 AMB 25-2:1420 0 AMB 25-1:1420 2.80 (# 1420:25 Double Ambig
)
&rst
ixpk= 1420, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1369,1370, 149, 150,
igr2=1366,1367, 152, 153,
&end
#
# 94 GLU HN 93 GLN HB- 3.50 (# 1421:25 Unique 1.99, 2.62 A
)
&rst
ixpk= 1421, nxpk= 25, iat=1379, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1366,1367,
&end
#
# 99 TRP HZ2 126 LEU MDX 4.50 (# 1423:25 Unique 2.25, 4.43 A
)
&rst
ixpk= 1423, nxpk= 25, iat=1473, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1911,1912,1913,1915,1916,1917,
&end
#
# 126 LEU HB+ 126 LEU MDX 3.50 (# 1425:25 Unique 2.21, 3.27 A
)
&rst
ixpk= 1425, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1906,1907,
igr2=1911,1912,1913,1915,1916,1917,
&end
#
# 126 LEU HB- 126 LEU MDX 2.80 (# 1426:25 Unique 2.21, 3.27 A
)
&rst
ixpk= 1426, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1906,1907,
igr2=1911,1912,1913,1915,1916,1917,
&end
#
# 0 AMB 25-2:1427 126 LEU MDX 3.50 (# 1427:25 Single Ambig
)
&rst
ixpk= 1427, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1960,1961,1960,1961,1398,
igr2=1911,1912,1913,1915,1916,1917,
&end
#
# 126 LEU HG 126 LEU MDX 2.80 (# 1428:25 Unique 2.15, 2.65 A
)
&rst
ixpk= 1428, nxpk= 25, iat=1909, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1911,1912,1913,1915,1916,1917,
&end
#
# 0 AMB 25-2:1429 126 LEU MDX 3.50 (# 1429:25 Single Ambig
)
&rst
ixpk= 1429, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.80, r4= 7.55,
igr1=1863,1864,1865,1867,1868,1869,1982,1983,1135,
igr2=1911,1912,1913,1915,1916,1917,
&end
#
# 0 AMB 25-2:1430 126 LEU MDX 2.80 (# 1430:25 Single Ambig
)
&rst
ixpk= 1430, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=1985,1986,1987, 71, 72, 73, 75, 76, 77,1105,
1106,1107,1109,1110,1111,
igr2=1911,1912,1913,1915,1916,1917,
&end
#
# 77 ILE HG1+ 126 LEU MDX 4.50 (# 1431:25 Unique 2.08, 3.82 A
)
&rst
ixpk= 1431, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1141,1142,
igr2=1911,1912,1913,1915,1916,1917,
&end
#
# 77 ILE QD1 126 LEU MDX 3.50 (# 1432:25 Unique 2.26, 5.03 A
)
&rst
ixpk= 1432, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1144,1145,1146,
igr2=1911,1912,1913,1915,1916,1917,
&end
#
# 4 VAL MGY 126 LEU MDX 3.50 (# 1433:25 Unique 2.16, 4.40 A
)
&rst
ixpk= 1433, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 71, 72, 73, 75, 76, 77,
igr2=1911,1912,1913,1915,1916,1917,
&end
#
# 9 LYS HB- 9 LYS HG- 2.80 (# 1435:25 Unique 2.39, 2.77 A
)
&rst
ixpk= 1435, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 149, 150,
igr2= 152, 153,
&end
#
# 23 LYS HB+ 23 LYS HG- 2.80 (# 1438:25 Unique 2.37, 2.75 A
)
&rst
ixpk= 1438, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 362, 363,
igr2= 365, 366,
&end
#
# 0 AMB 25-2:1439 2 LYS HG- 3.50 (# 1439:25 Single Ambig
)
&rst
ixpk= 1439, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 23, 6,
igr2= 28, 29,
&end
#
# 0 AMB 25-2:1440 37 LEU MDX 3.50 (# 1440:25 Single Ambig
)
&rst
ixpk= 1440, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 549, 147,
igr2= 556, 557, 558, 560, 561, 562,
&end
#
# 0 AMB 25-2:1441 37 LEU MDX 2.80 (# 1441:25 Single Ambig
)
&rst
ixpk= 1441, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 551, 552, 149, 150,
igr2= 556, 557, 558, 560, 561, 562,
&end
#
# 0 AMB 25-2:1442 37 LEU MDX 2.80 (# 1442:25 Single Ambig
)
&rst
ixpk= 1442, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 551, 552, 554,
igr2= 556, 557, 558, 560, 561, 562,
&end
#
# 0 AMB 25-2:1443 86 LEU MDY 3.50 (# 1443:25 Single Ambig
)
&rst
ixpk= 1443, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1312,1313,1280,1281,
igr2=1255,1256,1257,1259,1260,1261,
&end
#
# 86 LEU HB+ 86 LEU MDY 3.50 (# 1444:25 Unique 2.31, 3.33 A
)
&rst
ixpk= 1444, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1250,1251,
igr2=1255,1256,1257,1259,1260,1261,
&end
#
# 96 PHE HE 86 LEU MDY 3.50 (# 1445:25 Unique 2.27, 5.93 A
)
&rst
ixpk= 1445, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1423,1427,
igr2=1255,1256,1257,1259,1260,1261,
&end
#
# 0 AMB 25-2:1446 86 LEU MDY 3.50 (# 1446:25 Single Ambig
)
&rst
ixpk= 1446, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1154,1155,1280,1281,
igr2=1255,1256,1257,1259,1260,1261,
&end
#
# 0 AMB 25-2:1447 86 LEU MDY 2.80 (# 1447:25 Single Ambig
)
&rst
ixpk= 1447, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1253, 554,
igr2=1255,1256,1257,1259,1260,1261,
&end
#
# 86 LEU HB- 86 LEU MDY 3.50 (# 1448:25 Unique 2.31, 3.33 A
)
&rst
ixpk= 1448, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1250,1251,
igr2=1255,1256,1257,1259,1260,1261,
&end
#
# 76 VAL MGY 86 LEU MDY 3.50 (# 1449:25 Unique 2.64, 6.70 A
)
&rst
ixpk= 1449, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1121,1122,1123,1125,1126,1127,
igr2=1255,1256,1257,1259,1260,1261,
&end
#
# 91 VAL MGY 86 LEU MDY 4.50 (# 1450:25 Unique 2.28, 6.94 A
)
&rst
ixpk= 1450, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1338,1339,1340,1342,1343,1344,
igr2=1255,1256,1257,1259,1260,1261,
&end
#
# 23 LYS HE+ 23 LYS HG- 2.80 (# 1452:25 Unique 2.28, 2.90 A
)
&rst
ixpk= 1452, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 371, 372,
igr2= 365, 366,
&end
#
# 21 PHE HB- 25 LEU MDX 3.50 (# 1453:25 Unique 2.37, 4.70 A
)
&rst
ixpk= 1453, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 332, 333,
igr2= 403, 404, 405, 407, 408, 409,
&end
#
# 130 ILE HN 130 ILE HG1- 3.50 (# 1457:25 Unique 1.86, 2.43 A
)
&rst
ixpk= 1457, nxpk= 25, iat=1972, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1982,1983,
&end
#
# 127 ILE HA 130 ILE HG1- 3.50 (# 1458:25 Unique 1.98, 2.34 A
)
&rst
ixpk= 1458, nxpk= 25, iat=1923, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1982,1983,
&end
#
# 0 AMB 25-2:1459 0 AMB 25-1:1459 2.80 (# 1459:25 Double Ambig
)
&rst
ixpk= 1459, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1972, 459,
igr2=1982,1983, 469, 470,
&end
#
# 25 LEU HA 25 LEU MDX 4.50 (# 1460:25 Unique 2.22, 3.88 A
)
&rst
ixpk= 1460, nxpk= 25, iat= 396, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 403, 404, 405, 407, 408, 409,
&end
#
# 124 GLU HA 25 LEU MDX 3.50 (# 1461:25 Unique 2.91, 4.72 A
)
&rst
ixpk= 1461, nxpk= 25, iat=1875, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 403, 404, 405, 407, 408, 409,
&end
#
# 21 PHE HB+ 25 LEU MDX 3.50 (# 1462:25 Unique 2.37, 4.70 A
)
&rst
ixpk= 1462, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 332, 333,
igr2= 403, 404, 405, 407, 408, 409,
&end
#
# 124 GLU HG- 25 LEU MDX 3.50 (# 1463:25 Unique 2.27, 3.43 A
)
&rst
ixpk= 1463, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1880,1881,
igr2= 403, 404, 405, 407, 408, 409,
&end
#
# 25 LEU HB+ 25 LEU MDX 2.80 (# 1464:25 Unique 2.35, 3.27 A
)
&rst
ixpk= 1464, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 398, 399,
igr2= 403, 404, 405, 407, 408, 409,
&end
#
# 124 GLU HG+ 25 LEU MDX 2.80 (# 1466:25 Unique 2.27, 3.43 A
)
&rst
ixpk= 1466, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1880,1881,
igr2= 403, 404, 405, 407, 408, 409,
&end
#
# 0 AMB 25-2:1467 0 AMB 25-1:1467 2.80 (# 1467:25 Double Ambig
)
&rst
ixpk= 1467, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1= 401, 738, 739, 740,
igr2= 403, 404, 405, 407, 408, 409,1617,1618,1619,1621,
1622,1623,
&end
#
# 0 AMB 25-2:1468 109 LEU MDX 2.80 (# 1468:25 Single Ambig
)
&rst
ixpk= 1468, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1612,1613,1615,
igr2=1617,1618,1619,1621,1622,1623,
&end
#
# 109 LEU HB- 109 LEU MDX 2.80 (# 1469:25 Unique 2.43, 3.33 A
)
&rst
ixpk= 1469, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1612,1613,
igr2=1617,1618,1619,1621,1622,1623,
&end
#
# 41 ARG HB+ 41 ARG HG+ 2.80 (# 1475:25 Unique 2.32, 2.75 A
)
&rst
ixpk= 1475, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 607, 608,
igr2= 610, 611,
&end
#
# 29 LYS HA 29 LYS HG+ 3.50 (# 1476:25 Unique 3.64, 3.97 A
)
&rst
ixpk= 1476, nxpk= 25, iat= 439, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 444, 445,
&end
#
# 0 AMB 25-2:1478 0 AMB 25-1:1478 4.50 (# 1478:25 Double Ambig
)
&rst
ixpk= 1478, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 492, 401,1906,1907,
igr2= 469, 470,1863,1864,1865,1867,1868,1869,1982,1983,
&end
#
# 0 AMB 25-2:1480 30 ILE HG1- 2.80 (# 1480:25 Single Ambig
)
&rst
ixpk= 1480, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 472, 473, 474,1934,1935,1936,
igr2= 469, 470,
&end
#
# 3 LYS HA 3 LYS HG+ 3.50 (# 1481:25 Unique 2.31, 2.40 A
)
&rst
ixpk= 1481, nxpk= 25, iat= 45, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 50, 51,
&end
#
# 30 ILE HN 30 ILE HG1+ 3.50 (# 1482:25 Unique 2.66, 2.95 A
)
&rst
ixpk= 1482, nxpk= 25, iat= 459, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 469, 470,
&end
#
# 0 AMB 25-2:1483 0 AMB 25-1:1483 3.50 (# 1483:25 Double Ambig
)
&rst
ixpk= 1483, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 447, 448, 463,
igr2= 469, 470, 469, 470,
&end
#
# 30 ILE QD1 30 ILE HG1+ 2.80 (# 1485:25 Unique 2.37, 2.66 A
)
&rst
ixpk= 1485, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 472, 473, 474,
igr2= 469, 470,
&end
#
# 77 ILE QD1 77 ILE HG1- 2.80 (# 1487:25 Unique 2.35, 2.66 A
)
&rst
ixpk= 1487, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1144,1145,1146,
igr2=1141,1142,
&end
#
# 77 ILE QD1 77 ILE HG1+ 2.80 (# 1489:25 Unique 2.35, 2.66 A
)
&rst
ixpk= 1489, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1144,1145,1146,
igr2=1141,1142,
&end
#
# 123 VAL HN 123 VAL MGY 2.80 (# 1490:25 Unique 2.13, 3.79 A
)
&rst
ixpk= 1490, nxpk= 25, iat=1857, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1863,1864,1865,1867,1868,1869,
&end
#
# 6 PHE HZ 123 VAL MGY 2.80 (# 1492:25 Unique 2.30, 3.48 A
)
&rst
ixpk= 1492, nxpk= 25, iat= 110, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1863,1864,1865,1867,1868,1869,
&end
#
# 123 VAL HA 123 VAL MGY 2.80 (# 1493:25 Unique 2.56, 3.17 A
)
&rst
ixpk= 1493, nxpk= 25, iat=1859, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1863,1864,1865,1867,1868,1869,
&end
#
# 18 ALA HA 123 VAL MGY 2.80 (# 1494:25 Unique 2.22, 4.08 A
)
&rst
ixpk= 1494, nxpk= 25, iat= 298, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1863,1864,1865,1867,1868,1869,
&end
#
# 21 PHE HB- 123 VAL MGY 3.50 (# 1495:25 Unique 2.43, 4.14 A
)
&rst
ixpk= 1495, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 332, 333,
igr2=1863,1864,1865,1867,1868,1869,
&end
#
# 123 VAL HB 123 VAL MGY 2.80 (# 1496:25 Unique 2.32, 2.64 A
)
&rst
ixpk= 1496, nxpk= 25, iat=1861, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1863,1864,1865,1867,1868,1869,
&end
#
# 18 ALA MB 123 VAL MGY 3.50 (# 1498:25 Unique 2.23, 4.77 A
)
&rst
ixpk= 1498, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 300, 301, 302,
igr2=1863,1864,1865,1867,1868,1869,
&end
#
# 0 AMB 25-2:1499 120 LYS HG- 2.80 (# 1499:25 Single Ambig
)
&rst
ixpk= 1499, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1806,1807,1800,1801,
igr2=1803,1804,
&end
#
# 120 LYS HA 120 LYS HG+ 3.50 (# 1504:25 Unique 2.57, 2.94 A
)
&rst
ixpk= 1504, nxpk= 25, iat=1798, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1803,1804,
&end
#
# 0 AMB 25-2:1505 0 AMB 25-1:1505 2.80 (# 1505:25 Double Ambig
)
&rst
ixpk= 1505, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1806,1807,1800,1801,
igr2=1803,1804,1803,1804,
&end
#
# 119 VAL HN 119 VAL MGY 3.50 (# 1507:25 Unique 2.33, 3.91 A
)
&rst
ixpk= 1507, nxpk= 25, iat=1780, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1786,1787,1788,1790,1791,1792,
&end
#
# 0 AMB 25-2:1508 119 VAL MGY 4.50 (# 1508:25 Single Ambig
)
&rst
ixpk= 1508, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1734,1765,
igr2=1786,1787,1788,1790,1791,1792,
&end
#
# 119 VAL HA 119 VAL MGY 3.50 (# 1509:25 Unique 2.45, 3.16 A
)
&rst
ixpk= 1509, nxpk= 25, iat=1782, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1786,1787,1788,1790,1791,1792,
&end
#
# 0 AMB 25-2:1510 119 VAL MGY 2.80 (# 1510:25 Single Ambig
)
&rst
ixpk= 1510, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1784, 283, 284,
igr2=1786,1787,1788,1790,1791,1792,
&end
#
# 0 AMB 25-2:1511 119 VAL MGY 3.50 (# 1511:25 Single Ambig
)
&rst
ixpk= 1511, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 283, 284, 290, 291, 292,
igr2=1786,1787,1788,1790,1791,1792,
&end
#
# 0 AMB 25-2:1512 119 VAL MGY 4.50 (# 1512:25 Single Ambig
)
&rst
ixpk= 1512, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1739,1740,1736,1737,
igr2=1786,1787,1788,1790,1791,1792,
&end
#
# 101 LEU HB+ 119 VAL MGY 3.50 (# 1513:25 Unique 3.61, 5.75 A
)
&rst
ixpk= 1513, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1505,1506,
igr2=1786,1787,1788,1790,1791,1792,
&end
#
# 0 AMB 25-2:1514 119 VAL MGY 2.80 (# 1514:25 Single Ambig
)
&rst
ixpk= 1514, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.22, r4= 5.97,
igr1=1722,1723,1724,1726,1727,1728,1508,
igr2=1786,1787,1788,1790,1791,1792,
&end
#
# 76 VAL MGY 86 LEU MDX 4.50 (# 1515:25 Unique 2.64, 6.70 A
)
&rst
ixpk= 1515, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1121,1122,1123,1125,1126,1127,
igr2=1255,1256,1257,1259,1260,1261,
&end
#
# 86 LEU HA 86 LEU MDX 3.50 (# 1516:25 Unique 2.12, 3.81 A
)
&rst
ixpk= 1516, nxpk= 25, iat=1248, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1255,1256,1257,1259,1260,1261,
&end
#
# 0 AMB 25-2:1517 86 LEU MDX 4.50 (# 1517:25 Single Ambig
)
&rst
ixpk= 1517, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1154,1155,1280,1281,
igr2=1255,1256,1257,1259,1260,1261,
&end
#
# 0 AMB 25-2:1518 86 LEU MDX 4.50 (# 1518:25 Single Ambig
)
&rst
ixpk= 1518, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1312,1313,1280,1281,
igr2=1255,1256,1257,1259,1260,1261,
&end
#
# 0 AMB 25-2:1519 86 LEU MDX 2.80 (# 1519:25 Single Ambig
)
&rst
ixpk= 1519, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1253, 554,
igr2=1255,1256,1257,1259,1260,1261,
&end
#
# 86 LEU HB- 86 LEU MDX 3.50 (# 1521:25 Unique 2.31, 3.33 A
)
&rst
ixpk= 1521, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1250,1251,
igr2=1255,1256,1257,1259,1260,1261,
&end
#
# 65 ILE QD1 86 LEU MDX 4.50 (# 1522:25 Unique 2.54, 4.73 A
)
&rst
ixpk= 1522, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 963, 964, 965,
igr2=1255,1256,1257,1259,1260,1261,
&end
#
# 111 VAL HA 115 VAL MGY 4.50 (# 1524:25 Unique 3.60, 6.02 A
)
&rst
ixpk= 1524, nxpk= 25, iat=1644, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1722,1723,1724,1726,1727,1728,
&end
#
# 115 VAL HN 115 VAL MGY 2.80 (# 1525:25 Unique 2.22, 3.83 A
)
&rst
ixpk= 1525, nxpk= 25, iat=1716, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1722,1723,1724,1726,1727,1728,
&end
#
# 104 PRO HD+ 115 VAL MGY 4.50 (# 1526:25 Unique 2.24, 4.36 A
)
&rst
ixpk= 1526, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1548,1549,
igr2=1722,1723,1724,1726,1727,1728,
&end
#
# 115 VAL HA 115 VAL MGY 2.80 (# 1527:25 Unique 2.39, 3.14 A
)
&rst
ixpk= 1527, nxpk= 25, iat=1718, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1722,1723,1724,1726,1727,1728,
&end
#
# 17 MET ME 115 VAL MGY 4.50 (# 1528:25 Unique 2.46, 5.20 A
)
&rst
ixpk= 1528, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 290, 291, 292,
igr2=1722,1723,1724,1726,1727,1728,
&end
#
# 115 VAL HB 115 VAL MGY 2.80 (# 1529:25 Unique 2.39, 2.67 A
)
&rst
ixpk= 1529, nxpk= 25, iat=1720, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1722,1723,1724,1726,1727,1728,
&end
#
# 102 GLU HB- 115 VAL MGY 2.80 (# 1530:25 Unique 2.42, 5.13 A
)
&rst
ixpk= 1530, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1524,1525,
igr2=1722,1723,1724,1726,1727,1728,
&end
#
# 104 PRO HG+ 115 VAL MGY 4.50 (# 1531:25 Unique 2.39, 3.82 A
)
&rst
ixpk= 1531, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1551,1552,
igr2=1722,1723,1724,1726,1727,1728,
&end
#
# 111 VAL MGX 115 VAL MGY 3.50 (# 1532:25 Unique 2.79, 6.56 A
)
&rst
ixpk= 1532, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1648,1649,1650,1652,1653,1654,
igr2=1722,1723,1724,1726,1727,1728,
&end
#
# 0 AMB 25-2:1533 101 LEU MDX 4.50 (# 1533:25 Single Ambig
)
&rst
ixpk= 1533, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1520,1780,
igr2=1510,1511,1512,1514,1515,1516,
&end
#
# 101 LEU HA 101 LEU MDX 2.80 (# 1534:25 Unique 2.13, 3.43 A
)
&rst
ixpk= 1534, nxpk= 25, iat=1503, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1510,1511,1512,1514,1515,1516,
&end
#
# 118 GLN HB+ 101 LEU MDX 3.50 (# 1535:25 Unique 2.23, 3.83 A
)
&rst
ixpk= 1535, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1767,1768,
igr2=1510,1511,1512,1514,1515,1516,
&end
#
# 122 ARG HD- 101 LEU MDX 4.50 (# 1536:25 Unique 2.44, 4.77 A
)
&rst
ixpk= 1536, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1843,1844,
igr2=1510,1511,1512,1514,1515,1516,
&end
#
# 122 ARG HD+ 101 LEU MDX 4.50 (# 1537:25 Unique 2.44, 4.77 A
)
&rst
ixpk= 1537, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1843,1844,
igr2=1510,1511,1512,1514,1515,1516,
&end
#
# 118 GLN HB- 101 LEU MDX 3.50 (# 1538:25 Unique 2.23, 3.83 A
)
&rst
ixpk= 1538, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1767,1768,
igr2=1510,1511,1512,1514,1515,1516,
&end
#
# 101 LEU HB+ 101 LEU MDX 2.80 (# 1539:25 Unique 2.29, 3.54 A
)
&rst
ixpk= 1539, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1505,1506,
igr2=1510,1511,1512,1514,1515,1516,
&end
#
# 6 PHE HD 32 VAL MGY 3.50 (# 1541:25 Unique 2.14, 6.17 A
)
&rst
ixpk= 1541, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 106, 114,
igr2= 494, 495, 496, 498, 499, 500,
&end
#
# 0 AMB 25-2:1542 126 LEU MDY 2.80 (# 1542:25 Single Ambig
)
&rst
ixpk= 1542, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.44, r4= 6.19,
igr1=1985,1986,1987,1105,1106,1107,1109,1110,1111,
igr2=1911,1912,1913,1915,1916,1917,
&end
#
# 77 ILE QD1 126 LEU MDY 3.50 (# 1543:25 Unique 2.26, 5.03 A
)
&rst
ixpk= 1543, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1144,1145,1146,
igr2=1911,1912,1913,1915,1916,1917,
&end
#
# 109 LEU HA 109 LEU MDY 2.80 (# 1544:25 Unique 2.14, 3.81 A
)
&rst
ixpk= 1544, nxpk= 25, iat=1610, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1617,1618,1619,1621,1622,1623,
&end
#
# 109 LEU HB- 109 LEU MDY 3.50 (# 1545:25 Unique 2.43, 3.33 A
)
&rst
ixpk= 1545, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1612,1613,
igr2=1617,1618,1619,1621,1622,1623,
&end
#
# 49 MET ME 109 LEU MDY 2.80 (# 1546:25 Unique 2.69, 5.25 A
)
&rst
ixpk= 1546, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 738, 739, 740,
igr2=1617,1618,1619,1621,1622,1623,
&end
#
# 0 AMB 25-2:1547 109 LEU MDY 2.80 (# 1547:25 Single Ambig
)
&rst
ixpk= 1547, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1612,1613,1615,
igr2=1617,1618,1619,1621,1622,1623,
&end
#
# 45 THR MG2 109 LEU MDY 2.80 (# 1548:25 Unique 2.51, 4.85 A
)
&rst
ixpk= 1548, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 680, 681, 682,
igr2=1617,1618,1619,1621,1622,1623,
&end
#
# 0 AMB 25-2:1549 32 VAL MGY 3.50 (# 1549:25 Single Ambig
)
&rst
ixpk= 1549, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 504, 358,
igr2= 494, 495, 496, 498, 499, 500,
&end
#
# 6 PHE HE 32 VAL MGY 3.50 (# 1550:25 Unique 2.10, 5.78 A
)
&rst
ixpk= 1550, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 108, 112,
igr2= 494, 495, 496, 498, 499, 500,
&end
#
# 32 VAL HA 32 VAL MGY 3.50 (# 1551:25 Unique 2.37, 3.55 A
)
&rst
ixpk= 1551, nxpk= 25, iat= 490, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 494, 495, 496, 498, 499, 500,
&end
#
# 19 GLU HA 32 VAL MGY 3.50 (# 1552:25 Unique 1.94, 3.50 A
)
&rst
ixpk= 1552, nxpk= 25, iat= 308, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 494, 495, 496, 498, 499, 500,
&end
#
# 32 VAL HB 32 VAL MGY 2.80 (# 1553:25 Unique 2.32, 2.64 A
)
&rst
ixpk= 1553, nxpk= 25, iat= 492, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 494, 495, 496, 498, 499, 500,
&end
#
# 22 ALA MB 32 VAL MGY 2.80 (# 1554:25 Unique 2.08, 4.17 A
)
&rst
ixpk= 1554, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 352, 353, 354,
igr2= 494, 495, 496, 498, 499, 500,
&end
#
# 23 LYS HG- 32 VAL MGY 3.50 (# 1555:25 Unique 3.42, 5.98 A
)
&rst
ixpk= 1555, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 365, 366,
igr2= 494, 495, 496, 498, 499, 500,
&end
#
# 21 PHE HD 119 VAL MGX 2.80 (# 1556:25 Unique 2.43, 7.00 A
)
&rst
ixpk= 1556, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 336, 344,
igr2=1786,1787,1788,1790,1791,1792,
&end
#
# 6 PHE HZ 126 LEU MDY 3.50 (# 1557:25 Unique 2.11, 4.08 A
)
&rst
ixpk= 1557, nxpk= 25, iat= 110, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1911,1912,1913,1915,1916,1917,
&end
#
# 18 ALA HA 119 VAL MGX 2.80 (# 1558:25 Unique 2.36, 4.45 A
)
&rst
ixpk= 1558, nxpk= 25, iat= 298, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1786,1787,1788,1790,1791,1792,
&end
#
# 119 VAL HA 119 VAL MGX 3.50 (# 1559:25 Unique 2.45, 3.16 A
)
&rst
ixpk= 1559, nxpk= 25, iat=1782, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1786,1787,1788,1790,1791,1792,
&end
#
# 99 TRP HZ2 126 LEU MDY 3.50 (# 1561:25 Unique 2.25, 4.43 A
)
&rst
ixpk= 1561, nxpk= 25, iat=1473, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1911,1912,1913,1915,1916,1917,
&end
#
# 0 AMB 25-2:1562 0 AMB 25-1:1562 3.50 (# 1562:25 Double Ambig
)
&rst
ixpk= 1562, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1859,1875,
igr2=1911,1912,1913,1915,1916,1917, 403, 404, 405, 407,
408, 409,
&end
#
# 0 AMB 25-2:1563 0 AMB 25-1:1563 2.80 (# 1563:25 Double Ambig
)
&rst
ixpk= 1563, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=1906,1907,1784, 283, 284,
igr2=1911,1912,1913,1915,1916,1917,1786,1787,1788,1790,
1791,1792,
&end
#
# 0 AMB 25-2:1564 0 AMB 25-1:1564 2.80 (# 1564:25 Double Ambig
)
&rst
ixpk= 1564, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.65, r4= 7.40,
igr1=1863,1864,1865,1867,1868,1869,1982,1983,1806,1807,
igr2= 403, 404, 405, 407, 408, 409,1911,1912,1913,1915,
1916,1917,1786,1787,1788,1790,1791,1792,
&end
#
# 0 AMB 25-2:1565 0 AMB 25-1:1565 3.50 (# 1565:25 Double Ambig
)
&rst
ixpk= 1565, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 394, 81,
igr2= 403, 404, 405, 407, 408, 409,1911,1912,1913,1915,
1916,1917,
&end
#
# 25 LEU HA 25 LEU MDY 2.80 (# 1566:25 Unique 2.22, 3.88 A
)
&rst
ixpk= 1566, nxpk= 25, iat= 396, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 403, 404, 405, 407, 408, 409,
&end
#
# 0 AMB 25-2:1567 0 AMB 25-1:1567 2.80 (# 1567:25 Double Ambig
)
&rst
ixpk= 1567, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1906,1907, 401,
igr2=1911,1912,1913,1915,1916,1917, 403, 404, 405, 407,
408, 409,
&end
#
# 0 AMB 25-2:1568 0 AMB 25-1:1568 2.80 (# 1568:25 Double Ambig
)
&rst
ixpk= 1568, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1909, 398, 399,
igr2=1911,1912,1913,1915,1916,1917, 403, 404, 405, 407,
408, 409,
&end
#
# 34 SER HN 33 THR MG2 2.80 (# 1570:25 Unique 2.94, 3.70 A
)
&rst
ixpk= 1570, nxpk= 25, iat= 518, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 510, 511, 512,
&end
#
# 68 PHE HE 33 THR MG2 3.50 (# 1571:25 Unique 2.75, 3.97 A
)
&rst
ixpk= 1571, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1008,1012,
igr2= 510, 511, 512,
&end
#
# 102 GLU HB+ 111 VAL MGY 4.50 (# 1574:25 Unique 2.17, 4.02 A
)
&rst
ixpk= 1574, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1524,1525,
igr2=1648,1649,1650,1652,1653,1654,
&end
#
# 111 VAL HN 111 VAL MGY 2.80 (# 1577:25 Unique 2.27, 3.87 A
)
&rst
ixpk= 1577, nxpk= 25, iat=1642, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1648,1649,1650,1652,1653,1654,
&end
#
# 111 VAL HA 111 VAL MGY 2.80 (# 1578:25 Unique 2.47, 3.16 A
)
&rst
ixpk= 1578, nxpk= 25, iat=1644, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1648,1649,1650,1652,1653,1654,
&end
#
# 0 AMB 25-2:1580 111 VAL MGY 2.80 (# 1580:25 Single Ambig
)
&rst
ixpk= 1580, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1587,1588,1584,1585,1631,1632,
igr2=1648,1649,1650,1652,1653,1654,
&end
#
# 112 PHE HZ 45 THR MG2 3.50 (# 1581:25 Unique 3.88, 4.50 A
)
&rst
ixpk= 1581, nxpk= 25, iat=1670, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 680, 681, 682,
&end
#
# 45 THR HA 45 THR MG2 3.50 (# 1583:25 Unique 2.52, 3.18 A
)
&rst
ixpk= 1583, nxpk= 25, iat= 676, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 680, 681, 682,
&end
#
# 0 AMB 25-2:1584 45 THR MG2 2.80 (# 1584:25 Single Ambig
)
&rst
ixpk= 1584, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 678,1662,1663,
igr2= 680, 681, 682,
&end
#
# 49 MET HG+ 45 THR MG2 3.50 (# 1585:25 Unique 2.97, 4.75 A
)
&rst
ixpk= 1585, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 734, 735,
igr2= 680, 681, 682,
&end
#
# 0 AMB 25-2:1586 45 THR MG2 3.50 (# 1586:25 Single Ambig
)
&rst
ixpk= 1586, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
igr1= 738, 739, 740, 664, 665,
igr2= 680, 681, 682,
&end
#
# 48 ALA MB 45 THR MG2 4.50 (# 1587:25 Unique 3.13, 4.78 A
)
&rst
ixpk= 1587, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 721, 722, 723,
igr2= 680, 681, 682,
&end
#
# 109 LEU MDY 45 THR MG2 2.80 (# 1588:25 Unique 2.51, 4.85 A
)
&rst
ixpk= 1588, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1617,1618,1619,1621,1622,1623,
igr2= 680, 681, 682,
&end
#
# 6 PHE HZ 123 VAL MGX 3.50 (# 1591:25 Unique 2.30, 3.48 A
)
&rst
ixpk= 1591, nxpk= 25, iat= 110, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1863,1864,1865,1867,1868,1869,
&end
#
# 0 AMB 25-2:1592 0 AMB 25-1:1592 3.50 (# 1592:25 Double Ambig
)
&rst
ixpk= 1592, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1= 371, 372, 332, 333,
igr2= 494, 495, 496, 498, 499, 500,1863,1864,1865,1867,
1868,1869,
&end
#
# 21 PHE HB- 123 VAL MGX 3.50 (# 1593:25 Unique 2.43, 4.14 A
)
&rst
ixpk= 1593, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 332, 333,
igr2=1863,1864,1865,1867,1868,1869,
&end
#
# 123 VAL HB 123 VAL MGX 2.80 (# 1594:25 Unique 2.32, 2.64 A
)
&rst
ixpk= 1594, nxpk= 25, iat=1861, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1863,1864,1865,1867,1868,1869,
&end
#
# 22 ALA MB 0 AMB 25-1:1595 2.80 (# 1595:25 Single Ambig
)
&rst
ixpk= 1595, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 352, 353, 354,
igr2= 494, 495, 496, 498, 499, 500,1863,1864,1865,1867,
1868,1869,
&end
#
# 32 VAL HA 32 VAL MGX 3.50 (# 1597:25 Unique 2.37, 3.55 A
)
&rst
ixpk= 1597, nxpk= 25, iat= 490, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 494, 495, 496, 498, 499, 500,
&end
#
# 23 LYS HA 32 VAL MGX 3.50 (# 1598:25 Unique 2.78, 4.74 A
)
&rst
ixpk= 1598, nxpk= 25, iat= 360, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 494, 495, 496, 498, 499, 500,
&end
#
# 37 LEU HN 37 LEU MDY 3.50 (# 1600:25 Unique 2.16, 4.35 A
)
&rst
ixpk= 1600, nxpk= 25, iat= 547, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 556, 557, 558, 560, 561, 562,
&end
#
# 37 LEU HA 37 LEU MDY 2.80 (# 1601:25 Unique 2.14, 3.87 A
)
&rst
ixpk= 1601, nxpk= 25, iat= 549, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 556, 557, 558, 560, 561, 562,
&end
#
# 65 ILE QD1 37 LEU MDY 3.50 (# 1603:25 Unique 2.40, 5.57 A
)
&rst
ixpk= 1603, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 963, 964, 965,
igr2= 556, 557, 558, 560, 561, 562,
&end
#
# 61 THR HN 61 THR MG2 3.50 (# 1605:25 Unique 2.93, 3.66 A
)
&rst
ixpk= 1605, nxpk= 25, iat= 899, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 905, 906, 907,
&end
#
# 61 THR HA 61 THR MG2 2.80 (# 1606:25 Unique 2.27, 3.04 A
)
&rst
ixpk= 1606, nxpk= 25, iat= 901, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 905, 906, 907,
&end
#
# 61 THR HB 61 THR MG2 2.80 (# 1607:25 Unique 2.40, 2.64 A
)
&rst
ixpk= 1607, nxpk= 25, iat= 903, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 905, 906, 907,
&end
#
# 22 ALA HN 123 VAL MGX 4.50 (# 1609:25 Unique 2.63, 3.95 A
)
&rst
ixpk= 1609, nxpk= 25, iat= 348, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1863,1864,1865,1867,1868,1869,
&end
#
# 0 AMB 25-2:1610 32 VAL MGX 4.50 (# 1610:25 Single Ambig
)
&rst
ixpk= 1610, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 504, 358,
igr2= 494, 495, 496, 498, 499, 500,
&end
#
# 6 PHE HE 0 AMB 25-1:1611 3.50 (# 1611:25 Single Ambig
)
&rst
ixpk= 1611, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 108, 112,
igr2= 494, 495, 496, 498, 499, 500,1863,1864,1865,1867,
1868,1869,
&end
#
# 0 AMB 25-2:1612 32 VAL MGX 4.50 (# 1612:25 Single Ambig
)
&rst
ixpk= 1612, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 480, 83,
igr2= 494, 495, 496, 498, 499, 500,
&end
#
# 22 ALA HA 123 VAL MGX 2.80 (# 1613:25 Unique 2.19, 3.82 A
)
&rst
ixpk= 1613, nxpk= 25, iat= 350, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1863,1864,1865,1867,1868,1869,
&end
#
# 32 VAL HB 32 VAL MGX 2.80 (# 1614:25 Unique 2.32, 2.64 A
)
&rst
ixpk= 1614, nxpk= 25, iat= 492, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 494, 495, 496, 498, 499, 500,
&end
#
# 0 AMB 25-2:1615 0 AMB 25-1:1615 3.50 (# 1615:25 Double Ambig
)
&rst
ixpk= 1615, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 901,1248,
igr2= 633, 634, 635, 637, 638, 639, 556, 557, 558, 560,
561, 562,
&end
#
# 0 AMB 25-2:1617 42 VAL MGY 4.50 (# 1617:25 Single Ambig
)
&rst
ixpk= 1617, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 886, 887, 889, 890,
igr2= 633, 634, 635, 637, 638, 639,
&end
#
# 0 AMB 25-2:1621 115 VAL MGX 3.50 (# 1621:25 Single Ambig
)
&rst
ixpk= 1621, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1784,1767,1768, 283, 284,
igr2=1722,1723,1724,1726,1727,1728,
&end
#
# 115 VAL HN 115 VAL MGX 4.50 (# 1622:25 Unique 2.22, 3.83 A
)
&rst
ixpk= 1622, nxpk= 25, iat=1716, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1722,1723,1724,1726,1727,1728,
&end
#
# 104 PRO HD+ 115 VAL MGX 3.50 (# 1623:25 Unique 2.24, 4.36 A
)
&rst
ixpk= 1623, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1548,1549,
igr2=1722,1723,1724,1726,1727,1728,
&end
#
# 115 VAL HA 115 VAL MGX 2.80 (# 1624:25 Unique 2.39, 3.14 A
)
&rst
ixpk= 1624, nxpk= 25, iat=1718, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1722,1723,1724,1726,1727,1728,
&end
#
# 115 VAL HB 115 VAL MGX 2.80 (# 1625:25 Unique 2.39, 2.67 A
)
&rst
ixpk= 1625, nxpk= 25, iat=1720, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1722,1723,1724,1726,1727,1728,
&end
#
# 84 VAL HA 84 VAL MGY 3.50 (# 1627:25 Unique 2.42, 3.17 A
)
&rst
ixpk= 1627, nxpk= 25, iat=1218, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1222,1223,1224,1226,1227,1228,
&end
#
# 80 CYS HB- 84 VAL MGY 3.50 (# 1628:25 Unique 2.24, 4.10 A
)
&rst
ixpk= 1628, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1184,1185,
igr2=1222,1223,1224,1226,1227,1228,
&end
#
# 84 VAL HB 84 VAL MGY 2.80 (# 1629:25 Unique 2.38, 2.66 A
)
&rst
ixpk= 1629, nxpk= 25, iat=1220, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1222,1223,1224,1226,1227,1228,
&end
#
# 0 AMB 25-2:1630 42 VAL MGY 3.50 (# 1630:25 Single Ambig
)
&rst
ixpk= 1630, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 627, 643,
igr2= 633, 634, 635, 637, 638, 639,
&end
#
# 0 AMB 25-2:1631 42 VAL MGY 2.80 (# 1631:25 Single Ambig
)
&rst
ixpk= 1631, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 629, 866,
igr2= 633, 634, 635, 637, 638, 639,
&end
#
# 0 AMB 25-2:1632 42 VAL MGY 2.80 (# 1632:25 Single Ambig
)
&rst
ixpk= 1632, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 849, 269, 270,
igr2= 633, 634, 635, 637, 638, 639,
&end
#
# 42 VAL HB 42 VAL MGY 2.80 (# 1633:25 Unique 2.29, 2.63 A
)
&rst
ixpk= 1633, nxpk= 25, iat= 631, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 633, 634, 635, 637, 638, 639,
&end
#
# 57 ILE QD1 42 VAL MGY 2.80 (# 1634:25 Unique 2.29, 5.44 A
)
&rst
ixpk= 1634, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 858, 859, 860,
igr2= 633, 634, 635, 637, 638, 639,
&end
#
# 16 GLN HE2+ 42 VAL MGY 4.50 (# 1635:25 Unique 2.99, 5.50 A
)
&rst
ixpk= 1635, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 274, 275,
igr2= 633, 634, 635, 637, 638, 639,
&end
#
# 0 AMB 25-2:1636 49 MET ME 3.50 (# 1636:25 Single Ambig
)
&rst
ixpk= 1636, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 727,1732,
igr2= 738, 739, 740,
&end
#
# 49 MET HA 49 MET ME 2.80 (# 1638:25 Unique 2.07, 3.26 A
)
&rst
ixpk= 1638, nxpk= 25, iat= 729, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 738, 739, 740,
&end
#
# 112 PHE HB- 49 MET ME 4.50 (# 1639:25 Unique 2.19, 3.45 A
)
&rst
ixpk= 1639, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1662,1663,
igr2= 738, 739, 740,
&end
#
# 49 MET HG+ 49 MET ME 2.80 (# 1640:25 Unique 2.29, 3.60 A
)
&rst
ixpk= 1640, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 734, 735,
igr2= 738, 739, 740,
&end
#
# 0 AMB 25-2:1641 49 MET ME 3.50 (# 1641:25 Single Ambig
)
&rst
ixpk= 1641, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 731, 732, 783, 784,
igr2= 738, 739, 740,
&end
#
# 0 AMB 25-2:1642 49 MET ME 2.80 (# 1642:25 Single Ambig
)
&rst
ixpk= 1642, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1685,1686,1612,1613,
igr2= 738, 739, 740,
&end
#
# 109 LEU MDX 49 MET ME 3.50 (# 1643:25 Unique 2.69, 5.25 A
)
&rst
ixpk= 1643, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1617,1618,1619,1621,1622,1623,
igr2= 738, 739, 740,
&end
#
# 109 LEU MDY 49 MET ME 2.80 (# 1644:25 Unique 2.69, 5.25 A
)
&rst
ixpk= 1644, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1617,1618,1619,1621,1622,1623,
igr2= 738, 739, 740,
&end
#
# 45 THR MG2 49 MET ME 3.50 (# 1645:25 Unique 3.69, 5.16 A
)
&rst
ixpk= 1645, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 680, 681, 682,
igr2= 738, 739, 740,
&end
#
# 109 LEU HA 49 MET ME 4.50 (# 1646:25 Unique 2.74, 4.32 A
)
&rst
ixpk= 1646, nxpk= 25, iat=1610, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 738, 739, 740,
&end
#
# 112 PHE HB+ 49 MET ME 4.50 (# 1647:25 Unique 2.19, 3.45 A
)
&rst
ixpk= 1647, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1662,1663,
igr2= 738, 739, 740,
&end
#
# 118 GLN HE2+ 114 THR MG2 4.50 (# 1648:25 Unique 2.28, 3.90 A
)
&rst
ixpk= 1648, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1775,1776,
igr2=1708,1709,1710,
&end
#
# 118 GLN HE2- 114 THR MG2 4.50 (# 1649:25 Unique 2.28, 3.90 A
)
&rst
ixpk= 1649, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1775,1776,
igr2=1708,1709,1710,
&end
#
# 114 THR HB 114 THR MG2 2.80 (# 1650:25 Unique 2.37, 2.64 A
)
&rst
ixpk= 1650, nxpk= 25, iat=1706, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1708,1709,1710,
&end
#
# 114 THR HA 114 THR MG2 2.80 (# 1651:25 Unique 2.48, 3.15 A
)
&rst
ixpk= 1651, nxpk= 25, iat=1704, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1708,1709,1710,
&end
#
# 0 AMB 25-2:1653 92 THR MG2 3.50 (# 1653:25 Single Ambig
)
&rst
ixpk= 1653, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1348,1332,
igr2=1354,1355,1356,
&end
#
# 0 AMB 25-2:1654 92 THR MG2 3.50 (# 1654:25 Single Ambig
)
&rst
ixpk= 1654, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1350,1352,
igr2=1354,1355,1356,
&end
#
# 91 VAL MGX 92 THR MG2 2.80 (# 1655:25 Unique 2.19, 5.36 A
)
&rst
ixpk= 1655, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1338,1339,1340,1342,1343,1344,
igr2=1354,1355,1356,
&end
#
# 0 AMB 25-2:1657 76 VAL MGY 3.50 (# 1657:25 Single Ambig
)
&rst
ixpk= 1657, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1131,1115,
igr2=1121,1122,1123,1125,1126,1127,
&end
#
# 0 AMB 25-2:1658 76 VAL MGY 3.50 (# 1658:25 Single Ambig
)
&rst
ixpk= 1658, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1421,1429,1423,1427,
igr2=1121,1122,1123,1125,1126,1127,
&end
#
# 90 TRP HB+ 76 VAL MGY 3.50 (# 1659:25 Unique 2.08, 4.33 A
)
&rst
ixpk= 1659, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1312,1313,
igr2=1121,1122,1123,1125,1126,1127,
&end
#
# 101 LEU HB+ 115 VAL MGX 2.80 (# 1660:25 Unique 2.21, 3.87 A
)
&rst
ixpk= 1660, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1505,1506,
igr2=1722,1723,1724,1726,1727,1728,
&end
#
# 76 VAL HN 75 VAL MGY 3.50 (# 1661:25 Unique 2.42, 4.34 A
)
&rst
ixpk= 1661, nxpk= 25, iat=1115, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1105,1106,1107,1109,1110,1111,
&end
#
# 75 VAL HN 75 VAL MGY 3.50 (# 1662:25 Unique 2.19, 3.83 A
)
&rst
ixpk= 1662, nxpk= 25, iat=1099, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1105,1106,1107,1109,1110,1111,
&end
#
# 75 VAL HA 75 VAL MGY 3.50 (# 1663:25 Unique 2.34, 3.60 A
)
&rst
ixpk= 1663, nxpk= 25, iat=1101, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1105,1106,1107,1109,1110,1111,
&end
#
# 75 VAL HB 0 AMB 25-1:1664 2.80 (# 1664:25 Single Ambig
)
&rst
ixpk= 1664, nxpk= 25, iat=1103, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr2=1105,1106,1107,1109,1110,1111, 71, 72, 73, 75,
76, 77,
&end
#
# 77 ILE QD1 75 VAL MGY 2.80 (# 1665:25 Unique 2.44, 5.63 A
)
&rst
ixpk= 1665, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1144,1145,1146,
igr2=1105,1106,1107,1109,1110,1111,
&end
#
# 25 LEU HN 24 THR MG2 3.50 (# 1667:25 Unique 3.79, 4.45 A
)
&rst
ixpk= 1667, nxpk= 25, iat= 394, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 386, 387, 388,
&end
#
# 24 THR HN 24 THR MG2 4.50 (# 1668:25 Unique 4.30, 4.41 A
)
&rst
ixpk= 1668, nxpk= 25, iat= 380, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 386, 387, 388,
&end
#
# 0 AMB 25-2:1670 24 THR MG2 2.80 (# 1670:25 Single Ambig
)
&rst
ixpk= 1670, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 384, 382,
igr2= 386, 387, 388,
&end
#
# 55 ILE QD1 24 THR MG2 3.50 (# 1671:25 Unique 2.38, 4.23 A
)
&rst
ixpk= 1671, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 827, 828, 829,
igr2= 386, 387, 388,
&end
#
# 5 MET HG+ 76 VAL MGY 3.50 (# 1672:25 Unique 2.02, 4.57 A
)
&rst
ixpk= 1672, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 88, 89,
igr2=1121,1122,1123,1125,1126,1127,
&end
#
# 76 VAL HB 76 VAL MGY 2.80 (# 1674:25 Unique 2.21, 2.62 A
)
&rst
ixpk= 1674, nxpk= 25, iat=1119, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1121,1122,1123,1125,1126,1127,
&end
#
# 7 VAL MGX 76 VAL MGY 4.50 (# 1675:25 Unique 2.23, 5.92 A
)
&rst
ixpk= 1675, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 124, 125, 126, 128, 129, 130,
igr2=1121,1122,1123,1125,1126,1127,
&end
#
# 53 VAL HN 53 VAL MGY 3.50 (# 1676:25 Unique 2.16, 3.79 A
)
&rst
ixpk= 1676, nxpk= 25, iat= 791, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 797, 798, 799, 801, 802, 803,
&end
#
# 0 AMB 25-2:1678 53 VAL MGY 2.80 (# 1678:25 Single Ambig
)
&rst
ixpk= 1678, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=1742,1743, 795,1809,1810,
igr2= 797, 798, 799, 801, 802, 803,
&end
#
# 0 AMB 25-2:1679 53 VAL MGY 5.50 (# 1679:25 Single Ambig
)
&rst
ixpk= 1679, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 751, 752,1739,1740,
igr2= 797, 798, 799, 801, 802, 803,
&end
#
# 4 VAL HN 4 VAL MGX 3.50 (# 1680:25 Unique 2.08, 3.87 A
)
&rst
ixpk= 1680, nxpk= 25, iat= 65, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 71, 72, 73, 75, 76, 77,
&end
#
# 0 AMB 25-2:1681 0 AMB 25-1:1681 3.50 (# 1681:25 Double Ambig
)
&rst
ixpk= 1681, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 81, 504,
igr2= 71, 72, 73, 75, 76, 77,1105,1106,1107,1109,
1110,1111,
&end
#
# 0 AMB 25-2:1682 4 VAL MGX 4.50 (# 1682:25 Single Ambig
)
&rst
ixpk= 1682, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 45, 100,
igr2= 71, 72, 73, 75, 76, 77,
&end
#
# 4 VAL HA 0 AMB 25-1:1683 3.50 (# 1683:25 Single Ambig
)
&rst
ixpk= 1683, nxpk= 25, iat= 67, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr2=1105,1106,1107,1109,1110,1111, 71, 72, 73, 75,
76, 77,
&end
#
# 0 AMB 25-2:1684 0 AMB 25-1:1684 2.80 (# 1684:25 Double Ambig
)
&rst
ixpk= 1684, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1398, 69, 463,
igr2=1105,1106,1107,1109,1110,1111, 71, 72, 73, 75,
76, 77,
&end
#
# 0 AMB 25-2:1685 0 AMB 25-1:1685 4.50 (# 1685:25 Double Ambig
)
&rst
ixpk= 1685, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.42, r4=10.17,
igr1=1404,1405, 31, 32, 25, 26,1909,
igr2=1105,1106,1107,1109,1110,1111, 71, 72, 73, 75,
76, 77,
&end
#
# 0 AMB 25-2:1687 7 VAL MGY 4.50 (# 1687:25 Single Ambig
)
&rst
ixpk= 1687, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 134,1131,
igr2= 124, 125, 126, 128, 129, 130,
&end
#
# 0 AMB 25-2:1688 7 VAL MGY 2.80 (# 1688:25 Single Ambig
)
&rst
ixpk= 1688, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 88, 89, 122,
igr2= 124, 125, 126, 128, 129, 130,
&end
#
# 65 ILE QD1 7 VAL MGY 3.50 (# 1689:25 Unique 2.23, 4.14 A
)
&rst
ixpk= 1689, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 963, 964, 965,
igr2= 124, 125, 126, 128, 129, 130,
&end
#
# 96 PHE HE 91 VAL MGY 3.50 (# 1690:25 Unique 2.75, 5.76 A
)
&rst
ixpk= 1690, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1423,1427,
igr2=1338,1339,1340,1342,1343,1344,
&end
#
# 91 VAL HN 91 VAL MGY 4.50 (# 1691:25 Unique 1.97, 3.80 A
)
&rst
ixpk= 1691, nxpk= 25, iat=1332, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1338,1339,1340,1342,1343,1344,
&end
#
# 91 VAL HA 91 VAL MGY 3.50 (# 1692:25 Unique 2.25, 3.47 A
)
&rst
ixpk= 1692, nxpk= 25, iat=1334, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1338,1339,1340,1342,1343,1344,
&end
#
# 31 ALA HN 31 ALA MB 2.80 (# 1695:25 Unique 2.52, 3.22 A
)
&rst
ixpk= 1695, nxpk= 25, iat= 478, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 482, 483, 484,
&end
#
# 3 LYS HA 31 ALA MB 3.50 (# 1696:25 Unique 2.93, 4.06 A
)
&rst
ixpk= 1696, nxpk= 25, iat= 45, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 482, 483, 484,
&end
#
# 31 ALA HA 31 ALA MB 2.80 (# 1697:25 Unique 2.41, 2.67 A
)
&rst
ixpk= 1697, nxpk= 25, iat= 480, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 482, 483, 484,
&end
#
# 84 VAL HN 84 VAL MGX 3.50 (# 1698:25 Unique 2.02, 3.91 A
)
&rst
ixpk= 1698, nxpk= 25, iat=1216, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1222,1223,1224,1226,1227,1228,
&end
#
# 84 VAL HA 84 VAL MGX 3.50 (# 1699:25 Unique 2.42, 3.17 A
)
&rst
ixpk= 1699, nxpk= 25, iat=1218, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1222,1223,1224,1226,1227,1228,
&end
#
# 84 VAL HB 84 VAL MGX 2.80 (# 1700:25 Unique 2.38, 2.66 A
)
&rst
ixpk= 1700, nxpk= 25, iat=1220, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1222,1223,1224,1226,1227,1228,
&end
#
# 7 VAL HA 7 VAL MGY 3.50 (# 1701:25 Unique 2.38, 3.20 A
)
&rst
ixpk= 1701, nxpk= 25, iat= 120, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 124, 125, 126, 128, 129, 130,
&end
#
# 7 VAL HN 7 VAL MGX 4.50 (# 1702:25 Unique 2.11, 4.04 A
)
&rst
ixpk= 1702, nxpk= 25, iat= 118, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 124, 125, 126, 128, 129, 130,
&end
#
# 7 VAL HA 7 VAL MGX 3.50 (# 1703:25 Unique 2.38, 3.20 A
)
&rst
ixpk= 1703, nxpk= 25, iat= 120, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 124, 125, 126, 128, 129, 130,
&end
#
# 0 AMB 25-2:1705 7 VAL MGX 4.50 (# 1705:25 Single Ambig
)
&rst
ixpk= 1705, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 88, 89, 122,
igr2= 124, 125, 126, 128, 129, 130,
&end
#
# 76 VAL MGY 7 VAL MGX 4.50 (# 1706:25 Unique 2.23, 5.92 A
)
&rst
ixpk= 1706, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1121,1122,1123,1125,1126,1127,
igr2= 124, 125, 126, 128, 129, 130,
&end
#
# 0 AMB 25-2:1707 7 VAL MGX 3.50 (# 1707:25 Single Ambig
)
&rst
ixpk= 1707, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1255,1256,1257,1259,1260,1261, 556, 557, 558, 560,
561, 562,
igr2= 124, 125, 126, 128, 129, 130,
&end
#
# 65 ILE QD1 7 VAL MGX 3.50 (# 1709:25 Unique 2.23, 4.14 A
)
&rst
ixpk= 1709, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 963, 964, 965,
igr2= 124, 125, 126, 128, 129, 130,
&end
#
# 0 AMB 25-2:1711 4 VAL MGY 3.50 (# 1711:25 Single Ambig
)
&rst
ixpk= 1711, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 81, 504,
igr2= 71, 72, 73, 75, 76, 77,
&end
#
# 6 PHE HZ 4 VAL MGY 3.50 (# 1712:25 Unique 2.47, 4.02 A
)
&rst
ixpk= 1712, nxpk= 25, iat= 110, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 71, 72, 73, 75, 76, 77,
&end
#
# 0 AMB 25-2:1713 4 VAL MGY 3.50 (# 1713:25 Single Ambig
)
&rst
ixpk= 1713, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 67, 83,
igr2= 71, 72, 73, 75, 76, 77,
&end
#
# 75 VAL HB 4 VAL MGY 5.50 (# 1714:25 Unique 2.44, 6.17 A
)
&rst
ixpk= 1714, nxpk= 25, iat=1103, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 71, 72, 73, 75, 76, 77,
&end
#
# 0 AMB 25-2:1715 4 VAL MGY 2.80 (# 1715:25 Single Ambig
)
&rst
ixpk= 1715, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 69,1931,1932,
igr2= 71, 72, 73, 75, 76, 77,
&end
#
# 0 AMB 25-2:1716 4 VAL MGY 2.80 (# 1716:25 Single Ambig
)
&rst
ixpk= 1716, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
igr1=1911,1912,1913,1915,1916,1917,1911,1912,1913,1915,
1916,1917,
igr2= 71, 72, 73, 75, 76, 77,
&end
#
# 0 AMB 25-2:1718 76 VAL MGX 3.50 (# 1718:25 Single Ambig
)
&rst
ixpk= 1718, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1366,1367,1070,1071,
igr2=1121,1122,1123,1125,1126,1127,
&end
#
# 9 LYS HE+ 84 VAL MGX 3.50 (# 1719:25 Unique 2.41, 4.92 A
)
&rst
ixpk= 1719, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 158, 159,
igr2=1222,1223,1224,1226,1227,1228,
&end
#
# 80 CYS HB- 84 VAL MGX 4.50 (# 1720:25 Unique 2.24, 4.10 A
)
&rst
ixpk= 1720, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1184,1185,
igr2=1222,1223,1224,1226,1227,1228,
&end
#
# 76 VAL HN 76 VAL MGX 3.50 (# 1722:25 Unique 2.45, 4.23 A
)
&rst
ixpk= 1722, nxpk= 25, iat=1115, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1121,1122,1123,1125,1126,1127,
&end
#
# 73 TYR HN 76 VAL MGX 5.50 (# 1723:25 Unique 5.06, 6.90 A
)
&rst
ixpk= 1723, nxpk= 25, iat=1066, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1121,1122,1123,1125,1126,1127,
&end
#
# 93 GLN HG+ 76 VAL MGX 4.50 (# 1725:25 Unique 2.39, 4.60 A
)
&rst
ixpk= 1725, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1369,1370,
igr2=1121,1122,1123,1125,1126,1127,
&end
#
# 76 VAL HB 76 VAL MGX 2.80 (# 1726:25 Unique 2.21, 2.62 A
)
&rst
ixpk= 1726, nxpk= 25, iat=1119, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1121,1122,1123,1125,1126,1127,
&end
#
# 5 MET HB+ 76 VAL MGX 3.50 (# 1727:25 Unique 2.15, 4.19 A
)
&rst
ixpk= 1727, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 85, 86,
igr2=1121,1122,1123,1125,1126,1127,
&end
#
# 104 PRO HA 111 VAL MGX 3.50 (# 1728:25 Unique 2.89, 5.02 A
)
&rst
ixpk= 1728, nxpk= 25, iat=1557, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1648,1649,1650,1652,1653,1654,
&end
#
# 111 VAL HA 111 VAL MGX 2.80 (# 1729:25 Unique 2.47, 3.16 A
)
&rst
ixpk= 1729, nxpk= 25, iat=1644, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1648,1649,1650,1652,1653,1654,
&end
#
# 0 AMB 25-2:1730 111 VAL MGX 2.80 (# 1730:25 Single Ambig
)
&rst
ixpk= 1730, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1587,1588,1646,
igr2=1648,1649,1650,1652,1653,1654,
&end
#
# 0 AMB 25-2:1731 111 VAL MGX 2.80 (# 1731:25 Single Ambig
)
&rst
ixpk= 1731, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1587,1588,1584,1585,1631,1632,
igr2=1648,1649,1650,1652,1653,1654,
&end
#
# 75 VAL HN 75 VAL MGX 3.50 (# 1732:25 Unique 2.19, 3.83 A
)
&rst
ixpk= 1732, nxpk= 25, iat=1099, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1105,1106,1107,1109,1110,1111,
&end
#
# 4 VAL HA 75 VAL MGX 4.50 (# 1733:25 Unique 1.99, 3.62 A
)
&rst
ixpk= 1733, nxpk= 25, iat= 67, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1105,1106,1107,1109,1110,1111,
&end
#
# 75 VAL HA 75 VAL MGX 3.50 (# 1734:25 Unique 2.34, 3.60 A
)
&rst
ixpk= 1734, nxpk= 25, iat=1101, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1105,1106,1107,1109,1110,1111,
&end
#
# 74 ASP HB+ 75 VAL MGX 3.50 (# 1735:25 Unique 2.15, 5.46 A
)
&rst
ixpk= 1735, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1091,1092,
igr2=1105,1106,1107,1109,1110,1111,
&end
#
# 74 ASP HB- 75 VAL MGX 3.50 (# 1736:25 Unique 2.15, 5.46 A
)
&rst
ixpk= 1736, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1091,1092,
igr2=1105,1106,1107,1109,1110,1111,
&end
#
# 75 VAL HB 75 VAL MGX 2.80 (# 1737:25 Unique 2.24, 2.62 A
)
&rst
ixpk= 1737, nxpk= 25, iat=1103, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1105,1106,1107,1109,1110,1111,
&end
#
# 95 ILE HB 75 VAL MGX 3.50 (# 1738:25 Unique 2.15, 3.71 A
)
&rst
ixpk= 1738, nxpk= 25, iat=1398, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1105,1106,1107,1109,1110,1111,
&end
#
# 0 AMB 25-2:1739 75 VAL MGX 2.80 (# 1739:25 Single Ambig
)
&rst
ixpk= 1739, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1404,1405, 31, 32, 25, 26,
igr2=1105,1106,1107,1109,1110,1111,
&end
#
# 95 ILE HG1+ 75 VAL MGX 4.50 (# 1740:25 Unique 2.85, 5.70 A
)
&rst
ixpk= 1740, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1404,1405,
igr2=1105,1106,1107,1109,1110,1111,
&end
#
# 55 ILE HN 53 VAL MGX 4.50 (# 1741:25 Unique 2.89, 5.43 A
)
&rst
ixpk= 1741, nxpk= 25, iat= 814, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 797, 798, 799, 801, 802, 803,
&end
#
# 21 PHE HE 53 VAL MGX 3.50 (# 1742:25 Unique 2.24, 5.21 A
)
&rst
ixpk= 1742, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 338, 342,
igr2= 797, 798, 799, 801, 802, 803,
&end
#
# 53 VAL HN 53 VAL MGX 2.80 (# 1743:25 Unique 2.16, 3.79 A
)
&rst
ixpk= 1743, nxpk= 25, iat= 791, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 797, 798, 799, 801, 802, 803,
&end
#
# 116 ARG HD+ 53 VAL MGX 3.50 (# 1745:25 Unique 2.30, 4.71 A
)
&rst
ixpk= 1745, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1742,1743,
igr2= 797, 798, 799, 801, 802, 803,
&end
#
# 0 AMB 25-2:1746 53 VAL MGX 2.80 (# 1746:25 Single Ambig
)
&rst
ixpk= 1746, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=1742,1743, 795,1809,1810,
igr2= 797, 798, 799, 801, 802, 803,
&end
#
# 0 AMB 25-2:1747 53 VAL MGX 4.50 (# 1747:25 Single Ambig
)
&rst
ixpk= 1747, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 748, 749,1739,1740,
igr2= 797, 798, 799, 801, 802, 803,
&end
#
# 0 AMB 25-2:1748 53 VAL MGX 3.50 (# 1748:25 Single Ambig
)
&rst
ixpk= 1748, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 755, 756, 757,1800,1801,
igr2= 797, 798, 799, 801, 802, 803,
&end
#
# 55 ILE QD1 53 VAL MGX 3.50 (# 1749:25 Unique 2.24, 4.78 A
)
&rst
ixpk= 1749, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 827, 828, 829,
igr2= 797, 798, 799, 801, 802, 803,
&end
#
# 22 ALA HN 22 ALA MB 2.80 (# 1751:25 Unique 2.40, 2.88 A
)
&rst
ixpk= 1751, nxpk= 25, iat= 348, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 352, 353, 354,
&end
#
# 23 LYS HN 22 ALA MB 3.50 (# 1752:25 Unique 2.67, 3.55 A
)
&rst
ixpk= 1752, nxpk= 25, iat= 358, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 352, 353, 354,
&end
#
# 6 PHE HE 22 ALA MB 2.80 (# 1753:25 Unique 2.47, 4.05 A
)
&rst
ixpk= 1753, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 108, 112,
igr2= 352, 353, 354,
&end
#
# 22 ALA HA 22 ALA MB 2.80 (# 1754:25 Unique 2.41, 2.66 A
)
&rst
ixpk= 1754, nxpk= 25, iat= 350, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 352, 353, 354,
&end
#
# 19 GLU HA 22 ALA MB 3.50 (# 1755:25 Unique 2.38, 3.47 A
)
&rst
ixpk= 1755, nxpk= 25, iat= 308, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 352, 353, 354,
&end
#
# 0 AMB 25-2:1756 22 ALA MB 2.80 (# 1756:25 Single Ambig
)
&rst
ixpk= 1756, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 494, 495, 496, 498, 499, 500,1863,1864,1865,1867,
1868,1869,
igr2= 352, 353, 354,
&end
#
# 0 AMB 25-2:1757 22 ALA MB 2.80 (# 1757:25 Single Ambig
)
&rst
ixpk= 1757, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 472, 473, 474,1934,1935,1936,
igr2= 352, 353, 354,
&end
#
# 32 VAL MGY 22 ALA MB 2.80 (# 1758:25 Unique 2.08, 4.17 A
)
&rst
ixpk= 1758, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 494, 495, 496, 498, 499, 500,
igr2= 352, 353, 354,
&end
#
# 91 VAL HN 91 VAL MGX 2.80 (# 1760:25 Unique 1.97, 3.80 A
)
&rst
ixpk= 1760, nxpk= 25, iat=1332, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1338,1339,1340,1342,1343,1344,
&end
#
# 91 VAL HA 91 VAL MGX 3.50 (# 1761:25 Unique 2.25, 3.47 A
)
&rst
ixpk= 1761, nxpk= 25, iat=1334, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1338,1339,1340,1342,1343,1344,
&end
#
# 91 VAL HB 91 VAL MGX 2.80 (# 1762:25 Unique 2.32, 2.63 A
)
&rst
ixpk= 1762, nxpk= 25, iat=1336, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1338,1339,1340,1342,1343,1344,
&end
#
# 92 THR MG2 91 VAL MGX 2.80 (# 1763:25 Unique 2.19, 5.36 A
)
&rst
ixpk= 1763, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1354,1355,1356,
igr2=1338,1339,1340,1342,1343,1344,
&end
#
# 30 ILE HN 30 ILE QG2 4.50 (# 1766:25 Unique 2.70, 3.98 A
)
&rst
ixpk= 1766, nxpk= 25, iat= 459, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 465, 466, 467,
&end
#
# 30 ILE HA 30 ILE QG2 3.50 (# 1767:25 Unique 2.31, 3.12 A
)
&rst
ixpk= 1767, nxpk= 25, iat= 461, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 465, 466, 467,
&end
#
# 0 AMB 25-2:1768 30 ILE QG2 2.80 (# 1768:25 Single Ambig
)
&rst
ixpk= 1768, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 463,1931,1932,
igr2= 465, 466, 467,
&end
#
# 0 AMB 25-2:1769 30 ILE QG2 3.50 (# 1769:25 Single Ambig
)
&rst
ixpk= 1769, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 469, 470,1982,1983,
igr2= 465, 466, 467,
&end
#
# 30 ILE HG1+ 30 ILE QG2 2.80 (# 1770:25 Unique 2.21, 3.48 A
)
&rst
ixpk= 1770, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 469, 470,
igr2= 465, 466, 467,
&end
#
# 31 ALA HN 30 ILE QG2 4.50 (# 1771:25 Unique 3.83, 4.51 A
)
&rst
ixpk= 1771, nxpk= 25, iat= 478, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 465, 466, 467,
&end
#
# 2 LYS HB- 30 ILE QG2 2.80 (# 1772:25 Unique 2.07, 3.37 A
)
&rst
ixpk= 1772, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 25, 26,
igr2= 465, 466, 467,
&end
#
# 0 AMB 25-2:1776 46 ALA MB 3.50 (# 1776:25 Single Ambig
)
&rst
ixpk= 1776, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 698,1668,1672,
igr2= 692, 693, 694,
&end
#
# 46 ALA HN 46 ALA MB 3.50 (# 1777:25 Unique 2.22, 2.80 A
)
&rst
ixpk= 1777, nxpk= 25, iat= 688, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 692, 693, 694,
&end
#
# 46 ALA HA 46 ALA MB 2.80 (# 1779:25 Unique 2.37, 2.68 A
)
&rst
ixpk= 1779, nxpk= 25, iat= 690, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 692, 693, 694,
&end
#
# 0 AMB 25-2:1780 46 ALA MB 3.50 (# 1780:25 Single Ambig
)
&rst
ixpk= 1780, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 286, 287, 647, 648,
igr2= 692, 693, 694,
&end
#
# 0 AMB 25-2:1781 46 ALA MB 3.50 (# 1781:25 Single Ambig
)
&rst
ixpk= 1781, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
igr1= 858, 859, 860, 708, 709,
igr2= 692, 693, 694,
&end
#
# 27 ALA HA 27 ALA MB 2.80 (# 1782:25 Unique 2.44, 2.68 A
)
&rst
ixpk= 1782, nxpk= 25, iat= 422, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 424, 425, 426,
&end
#
# 128 ALA HN 128 ALA MB 2.80 (# 1783:25 Unique 2.47, 2.93 A
)
&rst
ixpk= 1783, nxpk= 25, iat=1940, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1944,1945,1946,
&end
#
# 125 ASN HA 128 ALA MB 2.80 (# 1784:25 Unique 2.76, 3.48 A
)
&rst
ixpk= 1784, nxpk= 25, iat=1890, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1944,1945,1946,
&end
#
# 49 MET HN 48 ALA MB 3.50 (# 1786:25 Unique 2.58, 3.46 A
)
&rst
ixpk= 1786, nxpk= 25, iat= 727, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 721, 722, 723,
&end
#
# 48 ALA HN 48 ALA MB 2.80 (# 1787:25 Unique 2.45, 2.87 A
)
&rst
ixpk= 1787, nxpk= 25, iat= 717, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 721, 722, 723,
&end
#
# 48 ALA HA 48 ALA MB 2.80 (# 1788:25 Unique 2.45, 2.66 A
)
&rst
ixpk= 1788, nxpk= 25, iat= 719, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 721, 722, 723,
&end
#
# 45 THR HA 48 ALA MB 3.50 (# 1789:25 Unique 2.59, 3.53 A
)
&rst
ixpk= 1789, nxpk= 25, iat= 676, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 721, 722, 723,
&end
#
# 57 ILE HA 57 ILE QG2 3.50 (# 1790:25 Unique 2.25, 2.80 A
)
&rst
ixpk= 1790, nxpk= 25, iat= 847, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 851, 852, 853,
&end
#
# 0 AMB 25-2:1791 57 ILE QG2 3.50 (# 1791:25 Single Ambig
)
&rst
ixpk= 1791, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 323, 324, 866,
igr2= 851, 852, 853,
&end
#
# 20 GLY HA- 57 ILE QG2 3.50 (# 1792:25 Unique 3.66, 5.22 A
)
&rst
ixpk= 1792, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 323, 324,
igr2= 851, 852, 853,
&end
#
# 0 AMB 25-2:1793 57 ILE QG2 2.80 (# 1793:25 Single Ambig
)
&rst
ixpk= 1793, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 889, 890, 849,
igr2= 851, 852, 853,
&end
#
# 42 VAL HB 57 ILE QG2 5.50 (# 1794:25 Unique 3.90, 4.67 A
)
&rst
ixpk= 1794, nxpk= 25, iat= 631, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 851, 852, 853,
&end
#
# 57 ILE HG1+ 57 ILE QG2 3.50 (# 1795:25 Unique 2.45, 3.53 A
)
&rst
ixpk= 1795, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 855, 856,
igr2= 851, 852, 853,
&end
#
# 70 ALA HA 70 ALA MB 2.80 (# 1797:25 Unique 2.38, 2.64 A
)
&rst
ixpk= 1797, nxpk= 25, iat=1034, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1036,1037,1038,
&end
#
# 70 ALA HN 70 ALA MB 3.50 (# 1798:25 Unique 2.29, 2.91 A
)
&rst
ixpk= 1798, nxpk= 25, iat=1032, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1036,1037,1038,
&end
#
# 0 AMB 25-2:1799 70 ALA MB 3.50 (# 1799:25 Single Ambig
)
&rst
ixpk= 1799, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1042,1321,
igr2=1036,1037,1038,
&end
#
# 90 TRP HA 70 ALA MB 3.50 (# 1800:25 Unique 2.28, 2.69 A
)
&rst
ixpk= 1800, nxpk= 25, iat=1310, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1036,1037,1038,
&end
#
# 89 GLU HB+ 70 ALA MB 4.50 (# 1801:25 Unique 2.30, 4.71 A
)
&rst
ixpk= 1801, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1297,1298,
igr2=1036,1037,1038,
&end
#
# 89 GLU HB- 70 ALA MB 3.50 (# 1802:25 Unique 2.30, 4.71 A
)
&rst
ixpk= 1802, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1297,1298,
igr2=1036,1037,1038,
&end
#
# 0 AMB 25-2:1803 46 ALA MB 3.50 (# 1803:25 Single Ambig
)
&rst
ixpk= 1803, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.06, r4= 6.81,
igr1= 633, 634, 635, 637, 638, 639, 711, 712, 713,
igr2= 692, 693, 694,
&end
#
# 27 ALA HN 27 ALA MB 2.80 (# 1804:25 Unique 2.57, 2.95 A
)
&rst
ixpk= 1804, nxpk= 25, iat= 420, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 424, 425, 426,
&end
#
# 0 AMB 25-2:1805 5 MET ME 3.50 (# 1805:25 Single Ambig
)
&rst
ixpk= 1805, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1006,1014,1321,
igr2= 92, 93, 94,
&end
#
# 73 TYR HD 5 MET ME 3.50 (# 1806:25 Unique 3.41, 4.85 A
)
&rst
ixpk= 1806, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1074,1083,
igr2= 92, 93, 94,
&end
#
# 95 ILE HA 95 ILE QG2 3.50 (# 1808:25 Unique 2.59, 3.21 A
)
&rst
ixpk= 1808, nxpk= 25, iat=1396, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1400,1401,1402,
&end
#
# 97 GLU HG- 95 ILE QG2 3.50 (# 1809:25 Unique 3.44, 5.22 A
)
&rst
ixpk= 1809, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1440,1441,
igr2=1400,1401,1402,
&end
#
# 0 AMB 25-2:1810 95 ILE QG2 3.50 (# 1810:25 Single Ambig
)
&rst
ixpk= 1810, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1437,1438,1440,1441,
igr2=1400,1401,1402,
&end
#
# 73 TYR HE 5 MET ME 3.50 (# 1811:25 Unique 2.86, 4.23 A
)
&rst
ixpk= 1811, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1076,1081,
igr2= 92, 93, 94,
&end
#
# 68 PHE HB+ 5 MET ME 4.50 (# 1814:25 Unique 2.20, 3.53 A
)
&rst
ixpk= 1814, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1002,1003,
igr2= 92, 93, 94,
&end
#
# 5 MET HG+ 5 MET ME 2.80 (# 1816:25 Unique 2.41, 3.59 A
)
&rst
ixpk= 1816, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 88, 89,
igr2= 92, 93, 94,
&end
#
# 0 AMB 25-2:1817 5 MET ME 2.80 (# 1817:25 Single Ambig
)
&rst
ixpk= 1817, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
igr1= 510, 511, 512, 960, 961,
igr2= 92, 93, 94,
&end
#
# 33 THR HB 5 MET ME 3.50 (# 1818:25 Unique 2.57, 3.64 A
)
&rst
ixpk= 1818, nxpk= 25, iat= 508, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 92, 93, 94,
&end
#
# 48 ALA HN 47 ILE QG2 3.50 (# 1819:25 Unique 3.62, 4.39 A
)
&rst
ixpk= 1819, nxpk= 25, iat= 717, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 704, 705, 706,
&end
#
# 131 SER HB+ 127 ILE QG2 3.50 (# 1821:25 Unique 3.86, 5.03 A
)
&rst
ixpk= 1821, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1995,1996,
igr2=1927,1928,1929,
&end
#
# 47 ILE HA 47 ILE QG2 3.50 (# 1823:25 Unique 2.35, 3.06 A
)
&rst
ixpk= 1823, nxpk= 25, iat= 700, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 704, 705, 706,
&end
#
# 127 ILE HN 0 AMB 25-1:1826 4.50 (# 1826:25 Single Ambig
)
&rst
ixpk= 1826, nxpk= 25, iat=1921, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1927,1928,1929,1978,1979,1980,
&end
#
# 0 AMB 25-2:1827 0 AMB 25-1:1827 2.80 (# 1827:25 Double Ambig
)
&rst
ixpk= 1827, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1972,1940,
igr2=1978,1979,1980,1927,1928,1929,
&end
#
# 130 ILE HA 130 ILE QG2 2.80 (# 1829:25 Unique 2.24, 3.00 A
)
&rst
ixpk= 1829, nxpk= 25, iat=1974, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1978,1979,1980,
&end
#
# 127 ILE HA 127 ILE QG2 2.80 (# 1831:25 Unique 2.57, 3.22 A
)
&rst
ixpk= 1831, nxpk= 25, iat=1923, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1927,1928,1929,
&end
#
# 29 LYS HE+ 127 ILE QG2 3.50 (# 1832:25 Unique 2.19, 4.18 A
)
&rst
ixpk= 1832, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 450, 451,
igr2=1927,1928,1929,
&end
#
# 130 ILE HB 130 ILE QG2 2.80 (# 1833:25 Unique 2.40, 2.70 A
)
&rst
ixpk= 1833, nxpk= 25, iat=1976, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1978,1979,1980,
&end
#
# 0 AMB 25-2:1834 0 AMB 25-1:1834 2.80 (# 1834:25 Double Ambig
)
&rst
ixpk= 1834, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=1960,1961, 447, 448,1398,
igr2=1978,1979,1980,1927,1928,1929,
&end
#
# 0 AMB 25-2:1835 130 ILE QG2 2.80 (# 1835:25 Single Ambig
)
&rst
ixpk= 1835, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 31, 32, 25, 26,1404,1405,
igr2=1978,1979,1980,
&end
#
# 0 AMB 25-2:1836 0 AMB 25-1:1836 2.80 (# 1836:25 Double Ambig
)
&rst
ixpk= 1836, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1982,1983,1982,1983,
igr2=1978,1979,1980,1927,1928,1929,
&end
#
# 127 ILE HG1+ 127 ILE QG2 2.80 (# 1837:25 Unique 2.54, 3.55 A
)
&rst
ixpk= 1837, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1931,1932,
igr2=1927,1928,1929,
&end
#
# 96 PHE HN 95 ILE QG2 3.50 (# 1838:25 Unique 2.80, 3.36 A
)
&rst
ixpk= 1838, nxpk= 25, iat=1413, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1400,1401,1402,
&end
#
# 0 AMB 25-2:1839 95 ILE QG2 2.80 (# 1839:25 Single Ambig
)
&rst
ixpk= 1839, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1=1398,1960,1961,
igr2=1400,1401,1402,
&end
#
# 0 AMB 25-2:1841 17 MET ME 4.50 (# 1841:25 Single Ambig
)
&rst
ixpk= 1841, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1662,1663,1742,1743,
igr2= 290, 291, 292,
&end
#
# 116 ARG HN 17 MET ME 4.50 (# 1842:25 Unique 3.05, 4.28 A
)
&rst
ixpk= 1842, nxpk= 25, iat=1732, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 290, 291, 292,
&end
#
# 112 PHE HD 17 MET ME 3.50 (# 1843:25 Unique 2.83, 5.75 A
)
&rst
ixpk= 1843, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1666,1674,
igr2= 290, 291, 292,
&end
#
# 116 ARG HA 17 MET ME 3.50 (# 1844:25 Unique 2.53, 3.68 A
)
&rst
ixpk= 1844, nxpk= 25, iat=1734, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 290, 291, 292,
&end
#
# 46 ALA HA 17 MET ME 3.50 (# 1845:25 Unique 3.73, 4.50 A
)
&rst
ixpk= 1845, nxpk= 25, iat= 690, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 290, 291, 292,
&end
#
# 14 ARG HA 17 MET ME 3.50 (# 1846:25 Unique 2.95, 4.24 A
)
&rst
ixpk= 1846, nxpk= 25, iat= 229, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 290, 291, 292,
&end
#
# 17 MET HG+ 17 MET ME 3.50 (# 1847:25 Unique 2.53, 3.63 A
)
&rst
ixpk= 1847, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 286, 287,
igr2= 290, 291, 292,
&end
#
# 0 AMB 25-2:1848 17 MET ME 3.50 (# 1848:25 Single Ambig
)
&rst
ixpk= 1848, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1551,1552,1786,1787,1788,1790,1791,1792,
igr2= 290, 291, 292,
&end
#
# 0 AMB 25-2:1849 17 MET ME 2.80 (# 1849:25 Single Ambig
)
&rst
ixpk= 1849, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.22, r4= 5.97,
igr1=1722,1723,1724,1726,1727,1728,1722,1723,1724,1726,
1727,1728,1554,1555,
igr2= 290, 291, 292,
&end
#
# 27 ALA HA 1 MET ME 5.50 (# 1850:25 Unique 4.39, 5.60 A
)
&rst
ixpk= 1850, nxpk= 25, iat= 422, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 15, 16, 17,
&end
#
# 56 ASP HN 55 ILE QG2 3.50 (# 1851:25 Unique 1.76, 2.70 A
)
&rst
ixpk= 1851, nxpk= 25, iat= 833, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 820, 821, 822,
&end
#
# 55 ILE HA 55 ILE QG2 3.50 (# 1853:25 Unique 2.42, 3.15 A
)
&rst
ixpk= 1853, nxpk= 25, iat= 816, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 820, 821, 822,
&end
#
# 20 GLY HA- 55 ILE QG2 4.50 (# 1854:25 Unique 3.02, 3.99 A
)
&rst
ixpk= 1854, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 323, 324,
igr2= 820, 821, 822,
&end
#
# 50 MET HB- 55 ILE QG2 3.50 (# 1855:25 Unique 2.65, 4.67 A
)
&rst
ixpk= 1855, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 748, 749,
igr2= 820, 821, 822,
&end
#
# 123 VAL MGY 18 ALA MB 2.80 (# 1856:25 Unique 2.23, 4.77 A
)
&rst
ixpk= 1856, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1863,1864,1865,1867,1868,1869,
igr2= 300, 301, 302,
&end
#
# 0 AMB 25-2:1857 0 AMB 25-1:1857 2.80 (# 1857:25 Double Ambig
)
&rst
ixpk= 1857, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.22, r4= 5.97,
igr1=1786,1787,1788,1790,1791,1792, 818,
igr2= 300, 301, 302, 820, 821, 822,
&end
#
# 50 MET ME 55 ILE QG2 2.80 (# 1858:25 Unique 2.28, 3.69 A
)
&rst
ixpk= 1858, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 755, 756, 757,
igr2= 820, 821, 822,
&end
#
# 18 ALA HN 18 ALA MB 2.80 (# 1859:25 Unique 2.28, 2.90 A
)
&rst
ixpk= 1859, nxpk= 25, iat= 296, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 300, 301, 302,
&end
#
# 19 GLU HN 18 ALA MB 3.50 (# 1860:25 Unique 2.71, 3.59 A
)
&rst
ixpk= 1860, nxpk= 25, iat= 306, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 300, 301, 302,
&end
#
# 0 AMB 25-2:1861 18 ALA MB 3.50 (# 1861:25 Single Ambig
)
&rst
ixpk= 1861, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 106, 114, 110,
igr2= 300, 301, 302,
&end
#
# 0 AMB 25-2:1862 0 AMB 25-1:1862 2.80 (# 1862:25 Double Ambig
)
&rst
ixpk= 1862, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 253, 323, 324,
igr2= 300, 301, 302, 820, 821, 822,
&end
#
# 18 ALA HA 18 ALA MB 2.80 (# 1863:25 Unique 2.29, 2.64 A
)
&rst
ixpk= 1863, nxpk= 25, iat= 298, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 300, 301, 302,
&end
#
# 65 ILE HN 65 ILE QG2 2.80 (# 1864:25 Unique 2.20, 3.15 A
)
&rst
ixpk= 1864, nxpk= 25, iat= 950, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 956, 957, 958,
&end
#
# 37 LEU HA 65 ILE QG2 3.50 (# 1865:25 Unique 2.14, 3.09 A
)
&rst
ixpk= 1865, nxpk= 25, iat= 549, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 956, 957, 958,
&end
#
# 65 ILE HB 65 ILE QG2 2.80 (# 1866:25 Unique 2.41, 2.67 A
)
&rst
ixpk= 1866, nxpk= 25, iat= 954, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 956, 957, 958,
&end
#
# 65 ILE QD1 65 ILE QG2 2.80 (# 1867:25 Unique 2.25, 3.68 A
)
&rst
ixpk= 1867, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 963, 964, 965,
igr2= 956, 957, 958,
&end
#
# 21 PHE HN 50 MET ME 3.50 (# 1869:25 Unique 2.36, 3.36 A
)
&rst
ixpk= 1869, nxpk= 25, iat= 328, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 755, 756, 757,
&end
#
# 0 AMB 25-2:1870 50 MET ME 4.50 (# 1870:25 Single Ambig
)
&rst
ixpk= 1870, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 321, 814,
igr2= 755, 756, 757,
&end
#
# 21 PHE HD 50 MET ME 4.50 (# 1871:25 Unique 2.61, 4.19 A
)
&rst
ixpk= 1871, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 336, 344,
igr2= 755, 756, 757,
&end
#
# 17 MET HA 50 MET ME 3.50 (# 1873:25 Unique 3.37, 4.27 A
)
&rst
ixpk= 1873, nxpk= 25, iat= 281, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 755, 756, 757,
&end
#
# 20 GLY HA- 50 MET ME 4.50 (# 1874:25 Unique 2.14, 3.73 A
)
&rst
ixpk= 1874, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 323, 324,
igr2= 755, 756, 757,
&end
#
# 50 MET HG+ 50 MET ME 3.50 (# 1876:25 Unique 2.41, 3.67 A
)
&rst
ixpk= 1876, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 751, 752,
igr2= 755, 756, 757,
&end
#
# 50 MET HB- 50 MET ME 3.50 (# 1877:25 Unique 2.12, 3.66 A
)
&rst
ixpk= 1877, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 748, 749,
igr2= 755, 756, 757,
&end
#
# 0 AMB 25-2:1878 50 MET ME 4.50 (# 1878:25 Single Ambig
)
&rst
ixpk= 1878, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 824, 825,1806,1807,
igr2= 755, 756, 757,
&end
#
# 0 AMB 25-2:1879 50 MET ME 2.80 (# 1879:25 Single Ambig
)
&rst
ixpk= 1879, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 818, 855, 856,
igr2= 755, 756, 757,
&end
#
# 55 ILE QD1 50 MET ME 3.50 (# 1880:25 Unique 2.47, 3.90 A
)
&rst
ixpk= 1880, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 827, 828, 829,
igr2= 755, 756, 757,
&end
#
# 55 ILE QG2 50 MET ME 3.50 (# 1881:25 Unique 2.28, 3.69 A
)
&rst
ixpk= 1881, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 820, 821, 822,
igr2= 755, 756, 757,
&end
#
# 130 ILE HB 130 ILE QD1 3.50 (# 1885:25 Unique 2.54, 3.18 A
)
&rst
ixpk= 1885, nxpk= 25, iat=1976, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1985,1986,1987,
&end
#
# 0 AMB 25-2:1886 130 ILE QD1 3.50 (# 1886:25 Single Ambig
)
&rst
ixpk= 1886, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1931,1932, 69, 463,
igr2=1985,1986,1987,
&end
#
# 0 AMB 25-2:1887 130 ILE QD1 3.50 (# 1887:25 Single Ambig
)
&rst
ixpk= 1887, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 25, 26,1982,1983,
igr2=1985,1986,1987,
&end
#
# 130 ILE HG1+ 130 ILE QD1 2.80 (# 1888:25 Unique 2.37, 2.65 A
)
&rst
ixpk= 1888, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1982,1983,
igr2=1985,1986,1987,
&end
#
# 0 AMB 25-2:1889 130 ILE QD1 2.80 (# 1889:25 Single Ambig
)
&rst
ixpk= 1889, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1911,1912,1913,1915,1916,1917,1911,1912,1913,1915,
1916,1917,
igr2=1985,1986,1987,
&end
#
# 0 AMB 25-2:1890 130 ILE QD1 2.80 (# 1890:25 Single Ambig
)
&rst
ixpk= 1890, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1978,1979,1980, 465, 466, 467,
igr2=1985,1986,1987,
&end
#
# 21 PHE HD 55 ILE QD1 3.50 (# 1891:25 Unique 2.30, 4.73 A
)
&rst
ixpk= 1891, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 336, 344,
igr2= 827, 828, 829,
&end
#
# 21 PHE HA 55 ILE QD1 3.50 (# 1892:25 Unique 2.53, 3.41 A
)
&rst
ixpk= 1892, nxpk= 25, iat= 330, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 827, 828, 829,
&end
#
# 24 THR HB 55 ILE QD1 4.50 (# 1893:25 Unique 2.83, 3.69 A
)
&rst
ixpk= 1893, nxpk= 25, iat= 384, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 827, 828, 829,
&end
#
# 55 ILE HG1- 55 ILE QD1 2.80 (# 1894:25 Unique 2.37, 2.65 A
)
&rst
ixpk= 1894, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 824, 825,
igr2= 827, 828, 829,
&end
#
# 0 AMB 25-2:1895 55 ILE QD1 3.50 (# 1895:25 Single Ambig
)
&rst
ixpk= 1895, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.81, r4= 6.56,
igr1= 797, 798, 799, 801, 802, 803, 818,
igr2= 827, 828, 829,
&end
#
# 55 ILE HG1+ 55 ILE QD1 2.80 (# 1896:25 Unique 2.37, 2.65 A
)
&rst
ixpk= 1896, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 824, 825,
igr2= 827, 828, 829,
&end
#
# 55 ILE QG2 55 ILE QD1 2.80 (# 1897:25 Unique 2.19, 3.88 A
)
&rst
ixpk= 1897, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 820, 821, 822,
igr2= 827, 828, 829,
&end
#
# 57 ILE HG1+ 57 ILE QD1 2.80 (# 1898:25 Unique 2.24, 2.64 A
)
&rst
ixpk= 1898, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 855, 856,
igr2= 858, 859, 860,
&end
#
# 47 ILE HA 57 ILE QD1 4.50 (# 1899:25 Unique 3.08, 3.99 A
)
&rst
ixpk= 1899, nxpk= 25, iat= 700, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 858, 859, 860,
&end
#
# 0 AMB 25-2:1900 57 ILE QD1 2.80 (# 1900:25 Single Ambig
)
&rst
ixpk= 1900, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 751, 752, 849,
igr2= 858, 859, 860,
&end
#
# 16 GLN HB+ 57 ILE QD1 3.50 (# 1901:25 Unique 2.81, 4.11 A
)
&rst
ixpk= 1901, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 266, 267,
igr2= 858, 859, 860,
&end
#
# 46 ALA MB 57 ILE QD1 3.50 (# 1902:25 Unique 2.19, 3.33 A
)
&rst
ixpk= 1902, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 692, 693, 694,
igr2= 858, 859, 860,
&end
#
# 57 ILE HG1- 57 ILE QD1 3.50 (# 1903:25 Unique 2.24, 2.64 A
)
&rst
ixpk= 1903, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 855, 856,
igr2= 858, 859, 860,
&end
#
# 42 VAL MGY 57 ILE QD1 2.80 (# 1904:25 Unique 2.29, 5.44 A
)
&rst
ixpk= 1904, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 633, 634, 635, 637, 638, 639,
igr2= 858, 859, 860,
&end
#
# 127 ILE HA 0 AMB 25-1:1906 3.50 (# 1906:25 Single Ambig
)
&rst
ixpk= 1906, nxpk= 25, iat=1923, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 472, 473, 474,1934,1935,1936,
&end
#
# 0 AMB 25-2:1907 0 AMB 25-1:1907 2.80 (# 1907:25 Double Ambig
)
&rst
ixpk= 1907, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1= 398, 399, 352, 353, 354,
igr2=1934,1935,1936, 472, 473, 474,
&end
#
# 0 AMB 25-2:1908 0 AMB 25-1:1908 2.80 (# 1908:25 Double Ambig
)
&rst
ixpk= 1908, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1931,1932, 469, 470,1931,1932,
igr2= 472, 473, 474,1934,1935,1936,
&end
#
# 26 GLY HN 0 AMB 25-1:1909 4.50 (# 1909:25 Single Ambig
)
&rst
ixpk= 1909, nxpk= 25, iat= 413, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1934,1935,1936, 472, 473, 474,
&end
#
# 0 AMB 25-2:1910 0 AMB 25-1:1910 3.50 (# 1910:25 Double Ambig
)
&rst
ixpk= 1910, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 415, 416, 415, 416,
igr2=1934,1935,1936, 472, 473, 474,
&end
#
# 22 ALA HA 127 ILE QD1 3.50 (# 1911:25 Unique 2.30, 3.23 A
)
&rst
ixpk= 1911, nxpk= 25, iat= 350, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1934,1935,1936,
&end
#
# 26 GLY HA- 0 AMB 25-1:1912 2.80 (# 1912:25 Single Ambig
)
&rst
ixpk= 1912, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 415, 416,
igr2=1934,1935,1936, 472, 473, 474,
&end
#
# 6 PHE HE 77 ILE QG2 3.50 (# 1913:25 Unique 2.69, 6.01 A
)
&rst
ixpk= 1913, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 108, 112,
igr2=1137,1138,1139,
&end
#
# 6 PHE HD 77 ILE QG2 3.50 (# 1914:25 Unique 2.47, 5.30 A
)
&rst
ixpk= 1914, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 106, 114,
igr2=1137,1138,1139,
&end
#
# 77 ILE HA 77 ILE QG2 3.50 (# 1915:25 Unique 2.45, 3.27 A
)
&rst
ixpk= 1915, nxpk= 25, iat=1133, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1137,1138,1139,
&end
#
# 77 ILE HB 77 ILE QG2 3.50 (# 1916:25 Unique 2.35, 2.62 A
)
&rst
ixpk= 1916, nxpk= 25, iat=1135, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1137,1138,1139,
&end
#
# 77 ILE HG1+ 77 ILE QG2 3.50 (# 1917:25 Unique 2.29, 3.45 A
)
&rst
ixpk= 1917, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1141,1142,
igr2=1137,1138,1139,
&end
#
# 77 ILE QD1 77 ILE QG2 3.50 (# 1918:25 Unique 2.29, 3.89 A
)
&rst
ixpk= 1918, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1144,1145,1146,
igr2=1137,1138,1139,
&end
#
# 0 AMB 25-2:1921 0 AMB 25-1:1921 2.80 (# 1921:25 Double Ambig
)
&rst
ixpk= 1921, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1931,1932, 463,
igr2= 472, 473, 474,1934,1935,1936,
&end
#
# 0 AMB 25-2:1922 0 AMB 25-1:1922 2.80 (# 1922:25 Double Ambig
)
&rst
ixpk= 1922, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1=1863,1864,1865,1867,1868,1869, 469, 470,
igr2=1934,1935,1936, 472, 473, 474,
&end
#
# 127 ILE HB 127 ILE QD1 2.80 (# 1923:25 Unique 2.56, 3.24 A
)
&rst
ixpk= 1923, nxpk= 25, iat=1925, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1934,1935,1936,
&end
#
# 44 PRO HA 47 ILE QD1 2.80 (# 1924:25 Unique 2.08, 2.64 A
)
&rst
ixpk= 1924, nxpk= 25, iat= 670, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 711, 712, 713,
&end
#
# 58 SER HA 47 ILE QD1 3.50 (# 1925:25 Unique 3.06, 4.21 A
)
&rst
ixpk= 1925, nxpk= 25, iat= 866, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 711, 712, 713,
&end
#
# 47 ILE HB 47 ILE QD1 2.80 (# 1926:25 Unique 2.34, 2.97 A
)
&rst
ixpk= 1926, nxpk= 25, iat= 702, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 711, 712, 713,
&end
#
# 47 ILE HG1- 47 ILE QD1 3.50 (# 1927:25 Unique 2.37, 2.65 A
)
&rst
ixpk= 1927, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 708, 709,
igr2= 711, 712, 713,
&end
#
# 45 THR HA 47 ILE QD1 4.50 (# 1928:25 Unique 4.86, 5.84 A
)
&rst
ixpk= 1928, nxpk= 25, iat= 676, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 711, 712, 713,
&end
#
# 65 ILE HB 65 ILE QD1 3.50 (# 1929:25 Unique 2.27, 3.05 A
)
&rst
ixpk= 1929, nxpk= 25, iat= 954, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 963, 964, 965,
&end
#
# 65 ILE QG2 65 ILE QD1 2.80 (# 1930:25 Unique 2.25, 3.68 A
)
&rst
ixpk= 1930, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 956, 957, 958,
igr2= 963, 964, 965,
&end
#
# 86 LEU MDY 65 ILE QD1 2.80 (# 1931:25 Unique 2.54, 4.73 A
)
&rst
ixpk= 1931, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1255,1256,1257,1259,1260,1261,
igr2= 963, 964, 965,
&end
#
# 7 VAL MGY 65 ILE QD1 3.50 (# 1932:25 Unique 2.23, 4.14 A
)
&rst
ixpk= 1932, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 124, 125, 126, 128, 129, 130,
igr2= 963, 964, 965,
&end
#
# 0 AMB 25-2:1934 95 ILE QD1 3.50 (# 1934:25 Single Ambig
)
&rst
ixpk= 1934, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1960,1961,1398,
igr2=1407,1408,1409,
&end
#
# 95 ILE HG1- 95 ILE QD1 2.80 (# 1935:25 Unique 2.36, 2.63 A
)
&rst
ixpk= 1935, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1404,1405,
igr2=1407,1408,1409,
&end
#
# 95 ILE HG1+ 95 ILE QD1 2.80 (# 1936:25 Unique 2.36, 2.63 A
)
&rst
ixpk= 1936, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1404,1405,
igr2=1407,1408,1409,
&end
#
# 97 GLU HN 77 ILE QD1 3.50 (# 1937:25 Unique 2.73, 3.72 A
)
&rst
ixpk= 1937, nxpk= 25, iat=1433, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1144,1145,1146,
&end
#
# 77 ILE HA 77 ILE QD1 3.50 (# 1938:25 Unique 2.12, 2.90 A
)
&rst
ixpk= 1938, nxpk= 25, iat=1133, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1144,1145,1146,
&end
#
# 97 GLU HB+ 77 ILE QD1 3.50 (# 1939:25 Unique 2.13, 3.71 A
)
&rst
ixpk= 1939, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1437,1438,
igr2=1144,1145,1146,
&end
#
# 97 GLU HB- 77 ILE QD1 3.50 (# 1940:25 Unique 2.13, 3.71 A
)
&rst
ixpk= 1940, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1437,1438,
igr2=1144,1145,1146,
&end
#
# 0 AMB 25-2:1941 77 ILE QD1 2.80 (# 1941:25 Single Ambig
)
&rst
ixpk= 1941, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1911,1912,1913,1915,1916,1917,1911,1912,1913,1915,
1916,1917,
igr2=1144,1145,1146,
&end
#
# 0 AMB 25-2:1942 77 ILE QD1 2.80 (# 1942:25 Single Ambig
)
&rst
ixpk= 1942, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1141,1142,1105,1106,1107,1109,1110,1111,
igr2=1144,1145,1146,
&end
#
# 77 ILE QG2 77 ILE QD1 3.50 (# 1943:25 Unique 2.29, 3.89 A
)
&rst
ixpk= 1943, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1137,1138,1139,
igr2=1144,1145,1146,
&end
#
# 0 AMB 25-2:1944 77 ILE QD1 3.50 (# 1944:25 Single Ambig
)
&rst
ixpk= 1944, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.06, r4= 6.81,
igr1=1400,1401,1402,1105,1106,1107,1109,1110,1111,
igr2=1144,1145,1146,
&end
#
# 78 SER HN 77 ILE HA 2.80 (# 1945:25 Unique 2.12, 2.18 A
)
&rst
ixpk= 1945, nxpk= 25, iat=1150,1133, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 25-2:1946 4 VAL HB 4.50 (# 1946:25 Single Ambig
)
&rst
ixpk= 1946, nxpk= 25, iat= -1, 69, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 81, 504, 478,
&end
#
# 74 ASP HN 3 LYS HB- 4.50 (# 1947:25 Unique 2.15, 2.76 A
)
&rst
ixpk= 1947, nxpk= 25, iat=1087, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 47, 48,
&end
#
# 74 ASP HN 3 LYS HB+ 4.50 (# 1948:25 Unique 2.15, 2.76 A
)
&rst
ixpk= 1948, nxpk= 25, iat=1087, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 47, 48,
&end
#
# 2 LYS HN 0 AMB 25-1:1949 3.50 (# 1949:25 Single Ambig
)
&rst
ixpk= 1949, nxpk= 25, iat= 21, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 8, 9, 47, 48,
&end
#
# 39 SER HN 38 GLU HB- 3.50 (# 1950:25 Unique 2.63, 3.63 A
)
&rst
ixpk= 1950, nxpk= 25, iat= 581, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 570, 571,
&end
#
# 0 AMB 25-2:1951 0 AMB 25-1:1951 4.50 (# 1951:25 Double Ambig
)
&rst
ixpk= 1951, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 461, 45,
igr2= 8, 9, 8, 9,
&end
#
# 0 AMB 25-2:1954 0 AMB 25-1:1954 3.50 (# 1954:25 Double Ambig
)
&rst
ixpk= 1954, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 45, 461,
igr2= 47, 48, 25, 26,
&end
#
# 43 HIS HA 44 PRO HD+ 2.80 (# 1955:25 Unique 2.24, 2.56 A
)
&rst
ixpk= 1955, nxpk= 25, iat= 645, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 661, 662,
&end
#
# 1 MET HB- 1 MET HG- 2.80 (# 1956:25 Unique 2.31, 2.75 A
)
&rst
ixpk= 1956, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 8, 9,
igr2= 11, 12,
&end
#
# 29 LYS HA 1 MET HG+ 5.50 (# 1957:25 Unique 3.86, 5.02 A
)
&rst
ixpk= 1957, nxpk= 25, iat= 439, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 11, 12,
&end
#
# 29 LYS HA 1 MET HG- 5.50 (# 1958:25 Unique 3.86, 5.02 A
)
&rst
ixpk= 1958, nxpk= 25, iat= 439, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 11, 12,
&end
#
# 30 ILE HA 1 MET HG+ 4.50 (# 1961:25 Unique 2.06, 2.54 A
)
&rst
ixpk= 1961, nxpk= 25, iat= 461, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 11, 12,
&end
#
# 30 ILE HA 1 MET HG- 3.50 (# 1962:25 Unique 2.06, 2.54 A
)
&rst
ixpk= 1962, nxpk= 25, iat= 461, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 11, 12,
&end
#
# 2 LYS HN 1 MET HG+ 4.50 (# 1963:25 Unique 2.46, 2.76 A
)
&rst
ixpk= 1963, nxpk= 25, iat= 21, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 11, 12,
&end
#
# 2 LYS HN 1 MET HG- 4.50 (# 1964:25 Unique 2.46, 2.76 A
)
&rst
ixpk= 1964, nxpk= 25, iat= 21, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 11, 12,
&end
#
# 61 THR MG2 60 GLN HA 3.50 (# 1965:25 Unique 3.36, 4.70 A
)
&rst
ixpk= 1965, nxpk= 25, iat= -1, 884, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 905, 906, 907,
&end
#
# 74 ASP HB- 2 LYS HB- 4.50 (# 1967:25 Unique 2.52, 4.46 A
)
&rst
ixpk= 1967, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1091,1092,
igr2= 25, 26,
&end
#
# 2 LYS HN 2 LYS HB- 3.50 (# 1968:25 Unique 2.29, 3.04 A
)
&rst
ixpk= 1968, nxpk= 25, iat= 21, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 25, 26,
&end
#
# 3 LYS HN 2 LYS HB- 4.50 (# 1969:25 Unique 2.73, 3.81 A
)
&rst
ixpk= 1969, nxpk= 25, iat= 43, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 25, 26,
&end
#
# 99 TRP HE1 97 GLU HB- 3.50 (# 1970:25 Unique 2.37, 2.81 A
)
&rst
ixpk= 1970, nxpk= 25, iat=1470, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1437,1438,
&end
#
# 2 LYS HA 2 LYS HD- 3.50 (# 1971:25 Unique 2.08, 2.76 A
)
&rst
ixpk= 1971, nxpk= 25, iat= 23, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 31, 32,
&end
#
# 0 AMB 25-2:1974 0 AMB 25-1:1974 4.50 (# 1974:25 Double Ambig
)
&rst
ixpk= 1974, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 45, 461,
igr2= 53, 54, 31, 32,
&end
#
# 2 LYS HN 2 LYS HD+ 5.50 (# 1975:25 Unique 3.96, 4.69 A
)
&rst
ixpk= 1975, nxpk= 25, iat= 21, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 31, 32,
&end
#
# 2 LYS HN 2 LYS HD- 5.50 (# 1976:25 Unique 3.96, 4.69 A
)
&rst
ixpk= 1976, nxpk= 25, iat= 21, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 31, 32,
&end
#
# 0 AMB 25-2:1977 2 LYS HD- 3.50 (# 1977:25 Single Ambig
)
&rst
ixpk= 1977, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1978,1979,1980,1407,1408,1409,
igr2= 31, 32,
&end
#
# 0 AMB 25-2:1978 2 LYS HD- 4.50 (# 1978:25 Single Ambig
)
&rst
ixpk= 1978, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1105,1106,1107,1109,1110,1111,1985,1986,1987,
igr2= 31, 32,
&end
#
# 130 ILE QD1 2 LYS HD+ 4.50 (# 1979:25 Unique 3.49, 5.56 A
)
&rst
ixpk= 1979, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1985,1986,1987,
igr2= 31, 32,
&end
#
# 6 PHE HN 6 PHE HA 4.50 (# 1980:25 Unique 3.00, 3.02 A
)
&rst
ixpk= 1980, nxpk= 25, iat= 98, 100, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:1981 3 LYS HA 4.50 (# 1981:25 Single Ambig
)
&rst
ixpk= 1981, nxpk= 25, iat= -1, 45, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 71, 72, 73, 75, 76, 77,1105,1106,1107,1109,
1110,1111,
&end
#
# 3 LYS HN 3 LYS HG- 4.50 (# 1982:25 Unique 2.99, 3.92 A
)
&rst
ixpk= 1982, nxpk= 25, iat= 43, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 50, 51,
&end
#
# 3 LYS HN 3 LYS HG+ 5.50 (# 1983:25 Unique 2.99, 3.92 A
)
&rst
ixpk= 1983, nxpk= 25, iat= 43, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 50, 51,
&end
#
# 29 LYS HN 29 LYS HG+ 3.50 (# 1984:25 Unique 2.26, 3.19 A
)
&rst
ixpk= 1984, nxpk= 25, iat= 437, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 444, 445,
&end
#
# 2 LYS HN 2 LYS HG+ 4.50 (# 1985:25 Unique 2.53, 3.32 A
)
&rst
ixpk= 1985, nxpk= 25, iat= 21, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 28, 29,
&end
#
# 3 LYS HA 3 LYS HG- 3.50 (# 1986:25 Unique 2.31, 2.40 A
)
&rst
ixpk= 1986, nxpk= 25, iat= 45, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 50, 51,
&end
#
# 130 ILE HA 130 ILE HG1+ 4.50 (# 1989:25 Unique 3.71, 3.77 A
)
&rst
ixpk= 1989, nxpk= 25, iat=1974, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1982,1983,
&end
#
# 26 GLY HA+ 30 ILE HG1- 3.50 (# 1990:25 Unique 2.08, 3.18 A
)
&rst
ixpk= 1990, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 415, 416,
igr2= 469, 470,
&end
#
# 127 ILE HA 130 ILE HG1+ 2.80 (# 1991:25 Unique 1.98, 2.34 A
)
&rst
ixpk= 1991, nxpk= 25, iat=1923, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1982,1983,
&end
#
# 130 ILE QD1 130 ILE HG1- 2.80 (# 1992:25 Unique 2.37, 2.65 A
)
&rst
ixpk= 1992, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1985,1986,1987,
igr2=1982,1983,
&end
#
# 0 AMB 25-2:1993 130 ILE HG1- 2.80 (# 1993:25 Single Ambig
)
&rst
ixpk= 1993, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1978,1979,1980, 465, 466, 467,
igr2=1982,1983,
&end
#
# 3 LYS HN 0 AMB 25-1:1994 4.50 (# 1994:25 Single Ambig
)
&rst
ixpk= 1994, nxpk= 25, iat= 43, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 31, 32, 53, 54,
&end
#
# 6 PHE HA 6 PHE HB+ 4.50 (# 1995:25 Unique 2.39, 2.71 A
)
&rst
ixpk= 1995, nxpk= 25, iat= 100, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 102, 103,
&end
#
# 6 PHE HA 6 PHE HB- 3.50 (# 1996:25 Unique 2.39, 2.71 A
)
&rst
ixpk= 1996, nxpk= 25, iat= 100, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 102, 103,
&end
#
# 34 SER HA 6 PHE HB+ 5.50 (# 1997:25 Unique 2.33, 3.27 A
)
&rst
ixpk= 1997, nxpk= 25, iat= 520, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 102, 103,
&end
#
# 34 SER HA 6 PHE HB- 5.50 (# 1998:25 Unique 2.33, 3.27 A
)
&rst
ixpk= 1998, nxpk= 25, iat= 520, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 102, 103,
&end
#
# 6 PHE HD 6 PHE HB+ 3.50 (# 1999:25 Unique 2.36, 3.08 A
)
&rst
ixpk= 1999, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 106, 114,
igr2= 102, 103,
&end
#
# 6 PHE HN 6 PHE HB+ 5.50 (# 2000:25 Unique 2.51, 3.24 A
)
&rst
ixpk= 2000, nxpk= 25, iat= 98, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 102, 103,
&end
#
# 6 PHE HN 6 PHE HB- 4.50 (# 2001:25 Unique 2.51, 3.24 A
)
&rst
ixpk= 2001, nxpk= 25, iat= 98, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 102, 103,
&end
#
# 7 VAL HN 6 PHE HB+ 5.50 (# 2002:25 Unique 2.98, 3.90 A
)
&rst
ixpk= 2002, nxpk= 25, iat= 118, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 102, 103,
&end
#
# 7 VAL HN 6 PHE HB- 5.50 (# 2003:25 Unique 2.98, 3.90 A
)
&rst
ixpk= 2003, nxpk= 25, iat= 118, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 102, 103,
&end
#
# 34 SER HB+ 6 PHE HB+ 3.50 (# 2004:25 Unique 2.42, 3.75 A
)
&rst
ixpk= 2004, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 522, 523,
igr2= 102, 103,
&end
#
# 15 SER HA 6 PHE HB- 3.50 (# 2005:25 Unique 2.25, 2.75 A
)
&rst
ixpk= 2005, nxpk= 25, iat= 253, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 102, 103,
&end
#
# 0 AMB 25-2:2006 4 VAL HA 4.50 (# 2006:25 Single Ambig
)
&rst
ixpk= 2006, nxpk= 25, iat= -1, 67, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 85, 86, 50, 51,
&end
#
# 75 VAL HB 4 VAL HA 4.50 (# 2007:25 Unique 2.01, 4.29 A
)
&rst
ixpk= 2007, nxpk= 25, iat=1103, 67, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 76 VAL HN 4 VAL HA 5.50 (# 2009:25 Unique 4.97, 5.17 A
)
&rst
ixpk= 2009, nxpk= 25, iat=1115, 67, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 4 VAL HN 4 VAL HA 3.50 (# 2010:25 Unique 2.93, 2.95 A
)
&rst
ixpk= 2010, nxpk= 25, iat= 65, 67, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 4 VAL HA 4 VAL HB 3.50 (# 2011:25 Unique 2.46, 2.72 A
)
&rst
ixpk= 2011, nxpk= 25, iat= 67, 69, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 32 VAL HA 4 VAL MGX 4.50 (# 2013:25 Unique 2.17, 4.46 A
)
&rst
ixpk= 2013, nxpk= 25, iat= 490, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 71, 72, 73, 75, 76, 77,
&end
#
# 0 AMB 25-2:2014 75 VAL MGY 4.50 (# 2014:25 Single Ambig
)
&rst
ixpk= 2014, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 23,1133,
igr2=1105,1106,1107,1109,1110,1111,
&end
#
# 4 VAL HN 4 VAL MGY 4.50 (# 2016:25 Unique 2.08, 3.87 A
)
&rst
ixpk= 2016, nxpk= 25, iat= 65, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 71, 72, 73, 75, 76, 77,
&end
#
# 32 VAL HA 4 VAL MGY 5.50 (# 2017:25 Unique 2.17, 4.46 A
)
&rst
ixpk= 2017, nxpk= 25, iat= 490, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 71, 72, 73, 75, 76, 77,
&end
#
# 34 SER HA 5 MET HA 4.50 (# 2018:25 Unique 3.76, 4.21 A
)
&rst
ixpk= 2018, nxpk= 25, iat= 520, 83, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 33 THR HB 5 MET HA 4.50 (# 2019:25 Unique 2.92, 3.33 A
)
&rst
ixpk= 2019, nxpk= 25, iat= 508, 83, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 6 PHE HB+ 5 MET HA 4.50 (# 2020:25 Unique 4.57, 5.23 A
)
&rst
ixpk= 2020, nxpk= 25, iat= -1, 83, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 102, 103,
&end
#
# 32 VAL MGY 5 MET HA 5.50 (# 2021:25 Unique 3.39, 6.01 A
)
&rst
ixpk= 2021, nxpk= 25, iat= -1, 83, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 494, 495, 496, 498, 499, 500,
&end
#
# 0 AMB 25-2:2022 5 MET HA 4.50 (# 2022:25 Single Ambig
)
&rst
ixpk= 2022, nxpk= 25, iat= -1, 83, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 92, 93, 94, 124, 125, 126, 128, 129, 130,
&end
#
# 0 AMB 25-2:2023 5 MET HB- 3.50 (# 2023:25 Single Ambig
)
&rst
ixpk= 2023, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 92, 93, 94, 124, 125, 126, 128, 129, 130,
igr2= 85, 86,
&end
#
# 0 AMB 25-2:2024 0 AMB 25-1:2024 3.50 (# 2024:25 Double Ambig
)
&rst
ixpk= 2024, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 92, 93, 94, 124, 125, 126, 128, 129, 130,
igr2= 85, 86, 85, 86,
&end
#
# 5 MET HA 5 MET HB+ 3.50 (# 2025:25 Unique 2.31, 2.71 A
)
&rst
ixpk= 2025, nxpk= 25, iat= 83, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 85, 86,
&end
#
# 5 MET HA 5 MET HB- 3.50 (# 2028:25 Unique 2.31, 2.71 A
)
&rst
ixpk= 2028, nxpk= 25, iat= 83, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 85, 86,
&end
#
# 5 MET HN 5 MET HB+ 3.50 (# 2030:25 Unique 2.25, 2.92 A
)
&rst
ixpk= 2030, nxpk= 25, iat= 81, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 85, 86,
&end
#
# 5 MET HN 5 MET HB- 4.50 (# 2031:25 Unique 2.25, 2.92 A
)
&rst
ixpk= 2031, nxpk= 25, iat= 81, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 85, 86,
&end
#
# 5 MET HA 5 MET HG+ 4.50 (# 2032:25 Unique 2.36, 3.19 A
)
&rst
ixpk= 2032, nxpk= 25, iat= 83, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 88, 89,
&end
#
# 76 VAL HB 5 MET HG+ 4.50 (# 2033:25 Unique 4.02, 5.28 A
)
&rst
ixpk= 2033, nxpk= 25, iat=1119, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 88, 89,
&end
#
# 79 LEU MDX 6 PHE HA 3.50 (# 2034:25 Unique 2.48, 4.51 A
)
&rst
ixpk= 2034, nxpk= 25, iat= -1, 100, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1170,1171,1172,1174,1175,1176,
&end
#
# 0 AMB 25-2:2035 6 PHE HA 5.50 (# 2035:25 Single Ambig
)
&rst
ixpk= 2035, nxpk= 25, iat= -1, 100, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=1141,1142, 300, 301, 302,
&end
#
# 7 VAL MGX 6 PHE HA 5.50 (# 2036:25 Unique 3.38, 5.64 A
)
&rst
ixpk= 2036, nxpk= 25, iat= -1, 100, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 124, 125, 126, 128, 129, 130,
&end
#
# 0 AMB 25-2:2037 6 PHE HA 4.50 (# 2037:25 Single Ambig
)
&rst
ixpk= 2037, nxpk= 25, iat= -1, 100, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1=1168,1121,1122,1123,1125,1126,1127,
&end
#
# 0 AMB 25-2:2038 6 PHE HA 4.50 (# 2038:25 Single Ambig
)
&rst
ixpk= 2038, nxpk= 25, iat= -1, 100, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 253,1154,1155,
&end
#
# 6 PHE HE 6 PHE HA 4.50 (# 2039:25 Unique 4.89, 5.32 A
)
&rst
ixpk= 2039, nxpk= 25, iat= -1, 100, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 108, 112,
&end
#
# 79 LEU MDX 6 PHE HB+ 4.50 (# 2042:25 Unique 2.18, 4.28 A
)
&rst
ixpk= 2042, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1170,1171,1172,1174,1175,1176,
igr2= 102, 103,
&end
#
# 79 LEU MDX 6 PHE HB- 3.50 (# 2043:25 Unique 2.18, 4.28 A
)
&rst
ixpk= 2043, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1170,1171,1172,1174,1175,1176,
igr2= 102, 103,
&end
#
# 18 ALA MB 6 PHE HB+ 5.50 (# 2044:25 Unique 3.00, 4.22 A
)
&rst
ixpk= 2044, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 300, 301, 302,
igr2= 102, 103,
&end
#
# 18 ALA MB 6 PHE HB- 4.50 (# 2045:25 Unique 3.00, 4.22 A
)
&rst
ixpk= 2045, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 300, 301, 302,
igr2= 102, 103,
&end
#
# 77 ILE QG2 6 PHE HA 4.50 (# 2046:25 Unique 3.51, 4.32 A
)
&rst
ixpk= 2046, nxpk= 25, iat= -1, 100, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1137,1138,1139,
&end
#
# 63 ASP HN 35 CYS HA 4.50 (# 2047:25 Unique 3.40, 3.71 A
)
&rst
ixpk= 2047, nxpk= 25, iat= 924, 531, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 6 PHE HN 6 PHE HB+ 5.50 (# 2048:25 Unique 2.51, 3.24 A
)
&rst
ixpk= 2048, nxpk= 25, iat= 98, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 102, 103,
&end
#
# 34 SER HA 7 VAL HA 5.50 (# 2053:25 Unique 4.24, 4.42 A
)
&rst
ixpk= 2053, nxpk= 25, iat= 520, 120, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 7 VAL HN 7 VAL HA 4.50 (# 2054:25 Unique 2.94, 2.98 A
)
&rst
ixpk= 2054, nxpk= 25, iat= 118, 120, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 78 SER HB- 7 VAL HB 5.50 (# 2055:25 Unique 2.68, 4.24 A
)
&rst
ixpk= 2055, nxpk= 25, iat= -1, 122, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1154,1155,
&end
#
# 86 LEU MDY 7 VAL HB 2.80 (# 2056:25 Unique 2.22, 3.91 A
)
&rst
ixpk= 2056, nxpk= 25, iat= -1, 122, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1255,1256,1257,1259,1260,1261,
&end
#
# 0 AMB 25-2:2058 7 VAL MGY 3.50 (# 2058:25 Single Ambig
)
&rst
ixpk= 2058, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1=1121,1122,1123,1125,1126,1127, 960, 961,
igr2= 124, 125, 126, 128, 129, 130,
&end
#
# 0 AMB 25-2:2062 7 VAL MGY 5.50 (# 2062:25 Single Ambig
)
&rst
ixpk= 2062, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 542, 543, 136,
igr2= 124, 125, 126, 128, 129, 130,
&end
#
# 37 LEU HN 7 VAL MGY 5.50 (# 2063:25 Unique 3.27, 5.67 A
)
&rst
ixpk= 2063, nxpk= 25, iat= 547, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 124, 125, 126, 128, 129, 130,
&end
#
# 0 AMB 25-2:2065 7 VAL MGX 4.50 (# 2065:25 Single Ambig
)
&rst
ixpk= 2065, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 134,1131,
igr2= 124, 125, 126, 128, 129, 130,
&end
#
# 7 VAL HN 7 VAL MGY 4.50 (# 2066:25 Unique 2.11, 4.04 A
)
&rst
ixpk= 2066, nxpk= 25, iat= 118, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 124, 125, 126, 128, 129, 130,
&end
#
# 37 LEU HN 8 CYS HA 4.50 (# 2067:25 Unique 4.53, 4.67 A
)
&rst
ixpk= 2067, nxpk= 25, iat= 547, 136, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 80 CYS HN 8 CYS HA 5.50 (# 2068:25 Unique 3.56, 4.06 A
)
&rst
ixpk= 2068, nxpk= 25, iat=1180, 136, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 8 CYS HN 8 CYS HA 4.50 (# 2069:25 Unique 2.96, 2.99 A
)
&rst
ixpk= 2069, nxpk= 25, iat= 134, 136, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 79 LEU HN 8 CYS HA 5.50 (# 2070:25 Unique 2.85, 3.00 A
)
&rst
ixpk= 2070, nxpk= 25, iat=1161, 136, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 80 CYS HA 8 CYS HA 4.50 (# 2071:25 Unique 2.33, 3.26 A
)
&rst
ixpk= 2071, nxpk= 25, iat=1182, 136, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 79 LEU HB- 8 CYS HA 4.50 (# 2072:25 Unique 2.40, 4.15 A
)
&rst
ixpk= 2072, nxpk= 25, iat= -1, 136, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1165,1166,
&end
#
# 0 AMB 25-2:2073 8 CYS HA 5.50 (# 2073:25 Single Ambig
)
&rst
ixpk= 2073, nxpk= 25, iat= -1, 136, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1255,1256,1257,1259,1260,1261,1170,1171,1172,1174,
1175,1176,
&end
#
# 7 VAL MGY 8 CYS HA 5.50 (# 2074:25 Unique 3.38, 5.67 A
)
&rst
ixpk= 2074, nxpk= 25, iat= -1, 136, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 124, 125, 126, 128, 129, 130,
&end
#
# 8 CYS HA 8 CYS HB+ 3.50 (# 2075:25 Unique 2.28, 2.62 A
)
&rst
ixpk= 2075, nxpk= 25, iat= 136, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 138, 139,
&end
#
# 8 CYS HA 8 CYS HB- 3.50 (# 2076:25 Unique 2.28, 2.62 A
)
&rst
ixpk= 2076, nxpk= 25, iat= 136, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 138, 139,
&end
#
# 90 TRP HN 90 TRP HB+ 3.50 (# 2079:25 Unique 2.29, 2.98 A
)
&rst
ixpk= 2079, nxpk= 25, iat=1308, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1312,1313,
&end
#
# 91 VAL HN 90 TRP HB+ 4.50 (# 2080:25 Unique 2.69, 3.54 A
)
&rst
ixpk= 2080, nxpk= 25, iat=1332, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1312,1313,
&end
#
# 91 VAL HN 90 TRP HB- 3.50 (# 2081:25 Unique 2.69, 3.54 A
)
&rst
ixpk= 2081, nxpk= 25, iat=1332, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1312,1313,
&end
#
# 90 TRP HA 90 TRP HB- 3.50 (# 2082:25 Unique 2.37, 2.75 A
)
&rst
ixpk= 2082, nxpk= 25, iat=1310, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1312,1313,
&end
#
# 86 LEU HB- 90 TRP HB+ 3.50 (# 2083:25 Unique 2.50, 3.78 A
)
&rst
ixpk= 2083, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1250,1251,
igr2=1312,1313,
&end
#
# 86 LEU HB- 90 TRP HB- 3.50 (# 2084:25 Unique 2.50, 3.78 A
)
&rst
ixpk= 2084, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1250,1251,
igr2=1312,1313,
&end
#
# 76 VAL MGY 90 TRP HB- 3.50 (# 2085:25 Unique 2.08, 4.33 A
)
&rst
ixpk= 2085, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1121,1122,1123,1125,1126,1127,
igr2=1312,1313,
&end
#
# 79 LEU HB- 8 CYS HB+ 3.50 (# 2086:25 Unique 2.07, 3.71 A
)
&rst
ixpk= 2086, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1165,1166,
igr2= 138, 139,
&end
#
# 86 LEU MDY 90 TRP HB- 3.50 (# 2087:25 Unique 2.24, 4.38 A
)
&rst
ixpk= 2087, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1255,1256,1257,1259,1260,1261,
igr2=1312,1313,
&end
#
# 86 LEU MDY 90 TRP HB+ 3.50 (# 2088:25 Unique 2.24, 4.38 A
)
&rst
ixpk= 2088, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1255,1256,1257,1259,1260,1261,
igr2=1312,1313,
&end
#
# 91 VAL MGY 90 TRP HB+ 5.50 (# 2089:25 Unique 3.60, 6.38 A
)
&rst
ixpk= 2089, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1338,1339,1340,1342,1343,1344,
igr2=1312,1313,
&end
#
# 91 VAL MGY 90 TRP HB- 5.50 (# 2090:25 Unique 3.60, 6.38 A
)
&rst
ixpk= 2090, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1338,1339,1340,1342,1343,1344,
igr2=1312,1313,
&end
#
# 0 AMB 25-2:2092 9 LYS HA 5.50 (# 2092:25 Single Ambig
)
&rst
ixpk= 2092, nxpk= 25, iat= -1, 147, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 136, 542, 543,
&end
#
# 38 GLU HN 9 LYS HA 4.50 (# 2093:25 Unique 3.63, 4.00 A
)
&rst
ixpk= 2093, nxpk= 25, iat= 566, 147, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 9 LYS HG- 9 LYS HB+ 3.50 (# 2096:25 Unique 2.39, 2.77 A
)
&rst
ixpk= 2096, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 152, 153,
igr2= 149, 150,
&end
#
# 9 LYS HA 9 LYS HG- 3.50 (# 2097:25 Unique 2.34, 2.76 A
)
&rst
ixpk= 2097, nxpk= 25, iat= 147, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 152, 153,
&end
#
# 9 LYS HA 9 LYS HG+ 3.50 (# 2098:25 Unique 2.34, 2.76 A
)
&rst
ixpk= 2098, nxpk= 25, iat= 147, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 152, 153,
&end
#
# 93 GLN HA 93 GLN HB- 3.50 (# 2100:25 Unique 2.41, 2.76 A
)
&rst
ixpk= 2100, nxpk= 25, iat=1364, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1366,1367,
&end
#
# 9 LYS HE+ 9 LYS HG+ 3.50 (# 2101:25 Unique 2.38, 2.91 A
)
&rst
ixpk= 2101, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 158, 159,
igr2= 152, 153,
&end
#
# 9 LYS HE+ 9 LYS HG- 3.50 (# 2102:25 Unique 2.38, 2.91 A
)
&rst
ixpk= 2102, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 158, 159,
igr2= 152, 153,
&end
#
# 93 GLN HN 93 GLN HB- 3.50 (# 2103:25 Unique 2.23, 3.06 A
)
&rst
ixpk= 2103, nxpk= 25, iat=1362, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1366,1367,
&end
#
# 0 AMB 25-2:2106 23 LYS HG- 4.50 (# 2106:25 Single Ambig
)
&rst
ixpk= 2106, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 382, 360,
igr2= 365, 366,
&end
#
# 20 GLY HA+ 23 LYS HE+ 2.80 (# 2107:25 Unique 2.84, 4.49 A
)
&rst
ixpk= 2107, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 323, 324,
igr2= 371, 372,
&end
#
# 0 AMB 25-2:2111 10 ARG HA 4.50 (# 2111:25 Single Ambig
)
&rst
ixpk= 2111, nxpk= 25, iat= -1, 169, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 573, 574, 195, 196,
&end
#
# 10 ARG HD- 10 ARG HA 4.50 (# 2112:25 Unique 3.19, 4.95 A
)
&rst
ixpk= 2112, nxpk= 25, iat= -1, 169, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 177, 178,
&end
#
# 38 GLU HN 10 ARG HA 4.50 (# 2114:25 Unique 3.18, 3.46 A
)
&rst
ixpk= 2114, nxpk= 25, iat= 566, 169, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 10 ARG HN 10 ARG HB- 3.50 (# 2115:25 Unique 2.65, 3.52 A
)
&rst
ixpk= 2115, nxpk= 25, iat= 167, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 171, 172,
&end
#
# 117 GLY HN 116 ARG HB- 4.50 (# 2116:25 Unique 2.49, 3.26 A
)
&rst
ixpk= 2116, nxpk= 25, iat=1756, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1736,1737,
&end
#
# 104 PRO HG- 115 VAL HB 3.50 (# 2117:25 Unique 2.43, 2.97 A
)
&rst
ixpk= 2117, nxpk= 25, iat= -1,1720, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1551,1552,
&end
#
# 125 ASN HB- 126 LEU HG 5.50 (# 2118:25 Unique 5.53, 6.19 A
)
&rst
ixpk= 2118, nxpk= 25, iat= -1,1909, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1892,1893,
&end
#
# 10 ARG HN 10 ARG HG+ 3.50 (# 2119:25 Unique 2.13, 2.82 A
)
&rst
ixpk= 2119, nxpk= 25, iat= 167, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 174, 175,
&end
#
# 55 ILE HN 55 ILE HG1- 4.50 (# 2120:25 Unique 2.68, 3.44 A
)
&rst
ixpk= 2120, nxpk= 25, iat= 814, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 824, 825,
&end
#
# 89 GLU HN 89 GLU HB- 4.50 (# 2121:25 Unique 2.42, 3.07 A
)
&rst
ixpk= 2121, nxpk= 25, iat=1293, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1297,1298,
&end
#
# 10 ARG HA 10 ARG HD- 4.50 (# 2122:25 Unique 3.19, 4.95 A
)
&rst
ixpk= 2122, nxpk= 25, iat= 169, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 177, 178,
&end
#
# 37 LEU HN 36 GLY HA- 3.50 (# 2123:25 Unique 2.24, 2.54 A
)
&rst
ixpk= 2123, nxpk= 25, iat= 547, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 542, 543,
&end
#
# 11 ASN HB+ 11 ASN HA 5.50 (# 2124:25 Unique 2.44, 2.77 A
)
&rst
ixpk= 2124, nxpk= 25, iat= -1, 193, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 195, 196,
&end
#
# 35 CYS HN 11 ASN HA 4.50 (# 2125:25 Unique 4.17, 4.47 A
)
&rst
ixpk= 2125, nxpk= 25, iat= 529, 193, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 11 ASN HN 11 ASN HB+ 4.50 (# 2126:25 Unique 2.23, 3.20 A
)
&rst
ixpk= 2126, nxpk= 25, iat= 191, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 195, 196,
&end
#
# 11 ASN HN 11 ASN HB- 4.50 (# 2127:25 Unique 2.23, 3.20 A
)
&rst
ixpk= 2127, nxpk= 25, iat= 191, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 195, 196,
&end
#
# 11 ASN HD2- 11 ASN HB- 5.50 (# 2128:25 Unique 2.30, 3.19 A
)
&rst
ixpk= 2128, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 200, 201,
igr2= 195, 196,
&end
#
# 36 GLY HA+ 11 ASN HB+ 5.50 (# 2130:25 Unique 2.15, 3.82 A
)
&rst
ixpk= 2130, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 542, 543,
igr2= 195, 196,
&end
#
# 0 AMB 25-2:2131 0 AMB 25-1:2131 5.50 (# 2131:25 Double Ambig
)
&rst
ixpk= 2131, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 531, 169,
igr2= 195, 196, 195, 196,
&end
#
# 0 AMB 25-2:2132 0 AMB 25-1:2132 5.50 (# 2132:25 Double Ambig
)
&rst
ixpk= 2132, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 946, 915,
igr2= 195, 196, 195, 196,
&end
#
# 0 AMB 25-2:2135 11 ASN HB- 3.50 (# 2135:25 Single Ambig
)
&rst
ixpk= 2135, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 583, 193,
igr2= 195, 196,
&end
#
# 36 GLY HA- 11 ASN HB+ 3.50 (# 2136:25 Unique 2.15, 3.82 A
)
&rst
ixpk= 2136, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 542, 543,
igr2= 195, 196,
&end
#
# 36 GLY HA- 11 ASN HB- 3.50 (# 2137:25 Unique 2.15, 3.82 A
)
&rst
ixpk= 2137, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 542, 543,
igr2= 195, 196,
&end
#
# 43 HIS HN 12 SER HA 4.50 (# 2138:25 Unique 2.97, 3.25 A
)
&rst
ixpk= 2138, nxpk= 25, iat= 643, 207, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 16 GLN HE2- 12 SER HA 5.50 (# 2140:25 Unique 4.06, 5.40 A
)
&rst
ixpk= 2140, nxpk= 25, iat= -1, 207, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 274, 275,
&end
#
# 62 SER HB- 12 SER HA 4.50 (# 2141:25 Unique 3.11, 3.98 A
)
&rst
ixpk= 2141, nxpk= 25, iat= -1, 207, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 917, 918,
&end
#
# 43 HIS HB+ 12 SER HA 4.50 (# 2142:25 Unique 3.89, 4.87 A
)
&rst
ixpk= 2142, nxpk= 25, iat= -1, 207, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 647, 648,
&end
#
# 16 GLN HG+ 12 SER HA 4.50 (# 2143:25 Unique 2.21, 3.04 A
)
&rst
ixpk= 2143, nxpk= 25, iat= -1, 207, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 269, 270,
&end
#
# 10 ARG HB- 12 SER HA 5.50 (# 2144:25 Unique 4.79, 6.18 A
)
&rst
ixpk= 2144, nxpk= 25, iat= -1, 207, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 171, 172,
&end
#
# 16 GLN HG- 12 SER HA 4.50 (# 2145:25 Unique 2.21, 3.04 A
)
&rst
ixpk= 2145, nxpk= 25, iat= -1, 207, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 269, 270,
&end
#
# 42 VAL MGY 12 SER HA 4.50 (# 2146:25 Unique 2.81, 4.75 A
)
&rst
ixpk= 2146, nxpk= 25, iat= -1, 207, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 633, 634, 635, 637, 638, 639,
&end
#
# 10 ARG HG+ 12 SER HB- 5.50 (# 2147:25 Unique 2.39, 4.83 A
)
&rst
ixpk= 2147, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 174, 175,
igr2= 209, 210,
&end
#
# 10 ARG HG+ 12 SER HB+ 5.50 (# 2148:25 Unique 2.39, 4.83 A
)
&rst
ixpk= 2148, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 174, 175,
igr2= 209, 210,
&end
#
# 10 ARG HB- 12 SER HB- 4.50 (# 2149:25 Unique 2.65, 4.93 A
)
&rst
ixpk= 2149, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 171, 172,
igr2= 209, 210,
&end
#
# 10 ARG HB- 12 SER HB+ 4.50 (# 2150:25 Unique 2.65, 4.93 A
)
&rst
ixpk= 2150, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 171, 172,
igr2= 209, 210,
&end
#
# 43 HIS HB- 12 SER HB- 4.50 (# 2151:25 Unique 2.19, 4.00 A
)
&rst
ixpk= 2151, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 647, 648,
igr2= 209, 210,
&end
#
# 43 HIS HB- 12 SER HB+ 4.50 (# 2152:25 Unique 2.19, 4.00 A
)
&rst
ixpk= 2152, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 647, 648,
igr2= 209, 210,
&end
#
# 43 HIS HN 12 SER HB- 5.50 (# 2156:25 Unique 2.35, 3.48 A
)
&rst
ixpk= 2156, nxpk= 25, iat= 643, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 209, 210,
&end
#
# 43 HIS HN 12 SER HB+ 5.50 (# 2157:25 Unique 2.35, 3.48 A
)
&rst
ixpk= 2157, nxpk= 25, iat= 643, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 209, 210,
&end
#
# 80 CYS HN 80 CYS HB+ 4.50 (# 2161:25 Unique 2.39, 3.04 A
)
&rst
ixpk= 2161, nxpk= 25, iat=1180, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1184,1185,
&end
#
# 15 SER HN 15 SER HA 4.50 (# 2162:25 Unique 2.78, 2.84 A
)
&rst
ixpk= 2162, nxpk= 25, iat= 251, 253, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:2164 14 ARG HA 4.50 (# 2164:25 Single Ambig
)
&rst
ixpk= 2164, nxpk= 25, iat= -1, 229, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 286, 287,1539,1540,
&end
#
# 113 ARG HA 116 ARG HB+ 3.50 (# 2165:25 Unique 2.48, 3.07 A
)
&rst
ixpk= 2165, nxpk= 25, iat=1680, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1736,1737,
&end
#
# 14 ARG HA 14 ARG HB- 3.50 (# 2166:25 Unique 2.33, 2.79 A
)
&rst
ixpk= 2166, nxpk= 25, iat= 229, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 231, 232,
&end
#
# 117 GLY HN 116 ARG HB+ 3.50 (# 2167:25 Unique 2.49, 3.26 A
)
&rst
ixpk= 2167, nxpk= 25, iat=1756, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1736,1737,
&end
#
# 116 ARG HN 116 ARG HB+ 3.50 (# 2168:25 Unique 2.33, 2.49 A
)
&rst
ixpk= 2168, nxpk= 25, iat=1732, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1736,1737,
&end
#
# 47 ILE QG2 58 SER HB- 3.50 (# 2169:25 Unique 2.58, 5.01 A
)
&rst
ixpk= 2169, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 704, 705, 706,
igr2= 868, 869,
&end
#
# 58 SER HN 58 SER HB+ 4.50 (# 2170:25 Unique 2.42, 3.12 A
)
&rst
ixpk= 2170, nxpk= 25, iat= 864, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 868, 869,
&end
#
# 58 SER HN 58 SER HB- 4.50 (# 2171:25 Unique 2.42, 3.12 A
)
&rst
ixpk= 2171, nxpk= 25, iat= 864, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 868, 869,
&end
#
# 58 SER HA 58 SER HB+ 3.50 (# 2172:25 Unique 2.24, 2.60 A
)
&rst
ixpk= 2172, nxpk= 25, iat= 866, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 868, 869,
&end
#
# 60 GLN HE2+ 16 GLN HA 3.50 (# 2173:25 Unique 3.12, 3.51 A
)
&rst
ixpk= 2173, nxpk= 25, iat= -1, 264, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 894, 895,
&end
#
# 38 GLU HN 37 LEU HA 3.50 (# 2174:25 Unique 3.47, 3.50 A
)
&rst
ixpk= 2174, nxpk= 25, iat= 566, 549, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 16 GLN HN 16 GLN HA 3.50 (# 2176:25 Unique 2.80, 2.82 A
)
&rst
ixpk= 2176, nxpk= 25, iat= 262, 264, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:2178 0 AMB 25-1:2178 4.50 (# 2178:25 Double Ambig
)
&rst
ixpk= 2178, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 976, 977, 889, 890, 533, 534, 283, 284, 943, 944,
886, 887,
igr2= 549, 264,
&end
#
# 57 ILE QD1 16 GLN HA 4.50 (# 2179:25 Unique 4.46, 5.60 A
)
&rst
ixpk= 2179, nxpk= 25, iat= -1, 264, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 858, 859, 860,
&end
#
# 57 ILE QD1 16 GLN HB+ 3.50 (# 2180:25 Unique 2.81, 4.11 A
)
&rst
ixpk= 2180, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 858, 859, 860,
igr2= 266, 267,
&end
#
# 42 VAL MGY 16 GLN HB+ 3.50 (# 2181:25 Unique 2.38, 4.47 A
)
&rst
ixpk= 2181, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 633, 634, 635, 637, 638, 639,
igr2= 266, 267,
&end
#
# 116 ARG HD- 116 ARG HG+ 3.50 (# 2182:25 Unique 2.17, 2.54 A
)
&rst
ixpk= 2182, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1742,1743,
igr2=1739,1740,
&end
#
# 116 ARG HD+ 116 ARG HG+ 4.50 (# 2183:25 Unique 2.17, 2.54 A
)
&rst
ixpk= 2183, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1742,1743,
igr2=1739,1740,
&end
#
# 116 ARG HA 116 ARG HG+ 4.50 (# 2184:25 Unique 2.36, 2.99 A
)
&rst
ixpk= 2184, nxpk= 25, iat=1734, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1739,1740,
&end
#
# 16 GLN HA 16 GLN HB+ 4.50 (# 2185:25 Unique 2.64, 2.86 A
)
&rst
ixpk= 2185, nxpk= 25, iat= 264, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 266, 267,
&end
#
# 16 GLN HA 16 GLN HB- 3.50 (# 2186:25 Unique 2.64, 2.86 A
)
&rst
ixpk= 2186, nxpk= 25, iat= 264, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 266, 267,
&end
#
# 16 GLN HN 16 GLN HB+ 4.50 (# 2188:25 Unique 2.15, 2.87 A
)
&rst
ixpk= 2188, nxpk= 25, iat= 262, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 266, 267,
&end
#
# 16 GLN HN 16 GLN HB- 4.50 (# 2189:25 Unique 2.15, 2.87 A
)
&rst
ixpk= 2189, nxpk= 25, iat= 262, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 266, 267,
&end
#
# 21 PHE HD 116 ARG HG+ 4.50 (# 2190:25 Unique 4.44, 6.03 A
)
&rst
ixpk= 2190, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 336, 344,
igr2=1739,1740,
&end
#
# 21 PHE HE 116 ARG HG+ 3.50 (# 2191:25 Unique 2.26, 3.98 A
)
&rst
ixpk= 2191, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 338, 342,
igr2=1739,1740,
&end
#
# 21 PHE HE 116 ARG HG- 4.50 (# 2193:25 Unique 2.26, 3.98 A
)
&rst
ixpk= 2193, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 338, 342,
igr2=1739,1740,
&end
#
# 16 GLN HE2- 16 GLN HG+ 3.50 (# 2194:25 Unique 2.13, 3.20 A
)
&rst
ixpk= 2194, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 274, 275,
igr2= 269, 270,
&end
#
# 42 VAL MGY 16 GLN HG- 3.50 (# 2196:25 Unique 2.18, 4.42 A
)
&rst
ixpk= 2196, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 633, 634, 635, 637, 638, 639,
igr2= 269, 270,
&end
#
# 42 VAL MGY 16 GLN HG+ 2.80 (# 2197:25 Unique 2.18, 4.42 A
)
&rst
ixpk= 2197, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 633, 634, 635, 637, 638, 639,
igr2= 269, 270,
&end
#
# 57 ILE QD1 17 MET HA 3.50 (# 2198:25 Unique 2.20, 3.09 A
)
&rst
ixpk= 2198, nxpk= 25, iat= -1, 281, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 858, 859, 860,
&end
#
# 57 ILE HG1- 17 MET HA 4.50 (# 2199:25 Unique 3.39, 4.25 A
)
&rst
ixpk= 2199, nxpk= 25, iat= -1, 281, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 855, 856,
&end
#
# 20 GLY HN 17 MET HA 3.50 (# 2202:25 Unique 3.29, 3.42 A
)
&rst
ixpk= 2202, nxpk= 25, iat= 321, 281, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 50 MET HN 50 MET HG+ 4.50 (# 2203:25 Unique 2.05, 2.80 A
)
&rst
ixpk= 2203, nxpk= 25, iat= 744, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 751, 752,
&end
#
# 100 GLN HE2- 100 GLN HG- 3.50 (# 2204:25 Unique 2.29, 3.46 A
)
&rst
ixpk= 2204, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1496,1497,
igr2=1491,1492,
&end
#
# 100 GLN HE2- 100 GLN HG+ 3.50 (# 2205:25 Unique 2.29, 3.46 A
)
&rst
ixpk= 2205, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1496,1497,
igr2=1491,1492,
&end
#
# 93 GLN HN 93 GLN HG+ 3.50 (# 2206:25 Unique 2.46, 3.28 A
)
&rst
ixpk= 2206, nxpk= 25, iat=1362, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1369,1370,
&end
#
# 17 MET HN 17 MET HG- 4.50 (# 2207:25 Unique 2.25, 3.05 A
)
&rst
ixpk= 2207, nxpk= 25, iat= 279, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 286, 287,
&end
#
# 17 MET HN 17 MET HB+ 4.50 (# 2208:25 Unique 2.30, 2.96 A
)
&rst
ixpk= 2208, nxpk= 25, iat= 279, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 283, 284,
&end
#
# 17 MET HA 17 MET HB+ 3.50 (# 2209:25 Unique 2.50, 2.80 A
)
&rst
ixpk= 2209, nxpk= 25, iat= 281, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 283, 284,
&end
#
# 119 VAL MGX 17 MET HB+ 4.50 (# 2210:25 Unique 2.55, 4.58 A
)
&rst
ixpk= 2210, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1786,1787,1788,1790,1791,1792,
igr2= 283, 284,
&end
#
# 76 VAL MGX 93 GLN HG- 4.50 (# 2211:25 Unique 2.39, 4.60 A
)
&rst
ixpk= 2211, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1121,1122,1123,1125,1126,1127,
igr2=1369,1370,
&end
#
# 57 ILE QD1 50 MET HG+ 3.50 (# 2216:25 Unique 2.10, 3.81 A
)
&rst
ixpk= 2216, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 858, 859, 860,
igr2= 751, 752,
&end
#
# 57 ILE HG1- 50 MET HG+ 5.50 (# 2217:25 Unique 1.99, 3.71 A
)
&rst
ixpk= 2217, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 855, 856,
igr2= 751, 752,
&end
#
# 17 MET HA 17 MET HG+ 3.50 (# 2218:25 Unique 2.19, 2.68 A
)
&rst
ixpk= 2218, nxpk= 25, iat= 281, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 286, 287,
&end
#
# 17 MET HA 17 MET HG- 3.50 (# 2219:25 Unique 2.19, 2.68 A
)
&rst
ixpk= 2219, nxpk= 25, iat= 281, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 286, 287,
&end
#
# 43 HIS HA 43 HIS HB+ 4.50 (# 2220:25 Unique 2.55, 2.82 A
)
&rst
ixpk= 2220, nxpk= 25, iat= 645, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 647, 648,
&end
#
# 12 SER HB- 43 HIS HB+ 5.50 (# 2221:25 Unique 2.19, 4.00 A
)
&rst
ixpk= 2221, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 209, 210,
igr2= 647, 648,
&end
#
# 93 GLN HA 93 GLN HG+ 4.50 (# 2223:25 Unique 2.45, 3.44 A
)
&rst
ixpk= 2223, nxpk= 25, iat=1364, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1369,1370,
&end
#
# 90 TRP HA 93 GLN HG+ 5.50 (# 2224:25 Unique 2.37, 3.12 A
)
&rst
ixpk= 2224, nxpk= 25, iat=1310, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1369,1370,
&end
#
# 43 HIS HD2 43 HIS HB- 5.50 (# 2227:25 Unique 2.70, 3.34 A
)
&rst
ixpk= 2227, nxpk= 25, iat= 656, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 647, 648,
&end
#
# 46 ALA HN 43 HIS HB- 4.50 (# 2228:25 Unique 3.01, 4.14 A
)
&rst
ixpk= 2228, nxpk= 25, iat= 688, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 647, 648,
&end
#
# 46 ALA HN 43 HIS HB+ 4.50 (# 2229:25 Unique 3.01, 4.14 A
)
&rst
ixpk= 2229, nxpk= 25, iat= 688, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 647, 648,
&end
#
# 118 GLN HE2+ 118 GLN HG+ 3.50 (# 2230:25 Unique 2.20, 3.28 A
)
&rst
ixpk= 2230, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1775,1776,
igr2=1770,1771,
&end
#
# 118 GLN HE2+ 118 GLN HG- 3.50 (# 2231:25 Unique 2.20, 3.28 A
)
&rst
ixpk= 2231, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1775,1776,
igr2=1770,1771,
&end
#
# 17 MET HN 17 MET HG+ 3.50 (# 2232:25 Unique 2.25, 3.05 A
)
&rst
ixpk= 2232, nxpk= 25, iat= 279, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 286, 287,
&end
#
# 21 PHE HN 18 ALA HA 4.50 (# 2233:25 Unique 3.35, 3.54 A
)
&rst
ixpk= 2233, nxpk= 25, iat= 328, 298, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 22 ALA HN 18 ALA HA 5.50 (# 2234:25 Unique 3.58, 3.83 A
)
&rst
ixpk= 2234, nxpk= 25, iat= 348, 298, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 19 GLU HN 18 ALA HA 4.50 (# 2235:25 Unique 3.53, 3.57 A
)
&rst
ixpk= 2235, nxpk= 25, iat= 306, 298, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 21 PHE HE 18 ALA HA 5.50 (# 2236:25 Unique 3.68, 5.81 A
)
&rst
ixpk= 2236, nxpk= 25, iat= -1, 298, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 338, 342,
&end
#
# 6 PHE HZ 18 ALA HA 5.50 (# 2237:25 Unique 5.15, 5.32 A
)
&rst
ixpk= 2237, nxpk= 25, iat= 110, 298, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 21 PHE HB+ 18 ALA HA 4.50 (# 2238:25 Unique 2.60, 3.72 A
)
&rst
ixpk= 2238, nxpk= 25, iat= -1, 298, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 332, 333,
&end
#
# 21 PHE HB- 18 ALA HA 3.50 (# 2239:25 Unique 2.60, 3.72 A
)
&rst
ixpk= 2239, nxpk= 25, iat= -1, 298, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 332, 333,
&end
#
# 0 AMB 25-2:2240 18 ALA HA 4.50 (# 2240:25 Single Ambig
)
&rst
ixpk= 2240, nxpk= 25, iat= -1, 298, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 283, 284,1784,
&end
#
# 22 ALA MB 18 ALA HA 4.50 (# 2241:25 Unique 4.41, 5.52 A
)
&rst
ixpk= 2241, nxpk= 25, iat= -1, 298, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 352, 353, 354,
&end
#
# 0 AMB 25-2:2242 0 AMB 25-1:2242 3.50 (# 2242:25 Double Ambig
)
&rst
ixpk= 2242, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 837, 838, 332, 333,
igr2= 820, 821, 822, 300, 301, 302,
&end
#
# 21 PHE HD 0 AMB 25-1:2244 5.50 (# 2244:25 Single Ambig
)
&rst
ixpk= 2244, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 336, 344,
igr2= 820, 821, 822, 300, 301, 302,
&end
#
# 21 PHE HN 0 AMB 25-1:2245 5.50 (# 2245:25 Single Ambig
)
&rst
ixpk= 2245, nxpk= 25, iat= 328, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 820, 821, 822, 300, 301, 302,
&end
#
# 22 ALA HN 19 GLU HA 4.50 (# 2246:25 Unique 3.16, 3.33 A
)
&rst
ixpk= 2246, nxpk= 25, iat= 348, 308, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:2247 19 GLU HA 4.50 (# 2247:25 Single Ambig
)
&rst
ixpk= 2247, nxpk= 25, iat= -1, 308, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 358, 504,
&end
#
# 18 ALA MB 19 GLU HA 4.50 (# 2248:25 Unique 4.06, 4.88 A
)
&rst
ixpk= 2248, nxpk= 25, iat= -1, 308, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 300, 301, 302,
&end
#
# 0 AMB 25-2:2251 0 AMB 25-1:2251 4.50 (# 2251:25 Double Ambig
)
&rst
ixpk= 2251, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 328, 894, 895,
igr2= 323, 324, 323, 324,
&end
#
# 23 LYS HN 20 GLY HA+ 5.50 (# 2252:25 Unique 3.77, 4.55 A
)
&rst
ixpk= 2252, nxpk= 25, iat= 358, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 323, 324,
&end
#
# 0 AMB 25-2:2253 20 GLY HA- 5.50 (# 2253:25 Single Ambig
)
&rst
ixpk= 2253, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 358, 833,
igr2= 323, 324,
&end
#
# 0 AMB 25-2:2254 20 GLY HA- 4.50 (# 2254:25 Single Ambig
)
&rst
ixpk= 2254, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 328, 894, 895,
igr2= 323, 324,
&end
#
# 0 AMB 25-2:2258 0 AMB 25-1:2258 3.50 (# 2258:25 Double Ambig
)
&rst
ixpk= 2258, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 365, 366, 368, 369,
igr2= 323, 324, 323, 324,
&end
#
# 0 AMB 25-2:2259 0 AMB 25-1:2259 3.50 (# 2259:25 Double Ambig
)
&rst
ixpk= 2259, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 313, 314, 362, 363, 748, 749,
igr2= 323, 324, 323, 324, 323, 324,
&end
#
# 0 AMB 25-2:2260 20 GLY HA- 4.50 (# 2260:25 Single Ambig
)
&rst
ixpk= 2260, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 365, 366, 368, 369,
igr2= 323, 324,
&end
#
# 0 AMB 25-2:2261 20 GLY HA- 4.50 (# 2261:25 Single Ambig
)
&rst
ixpk= 2261, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 313, 314, 362, 363, 748, 749,
igr2= 323, 324,
&end
#
# 55 ILE QG2 20 GLY HA+ 3.50 (# 2262:25 Unique 3.02, 3.99 A
)
&rst
ixpk= 2262, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 820, 821, 822,
igr2= 323, 324,
&end
#
# 55 ILE QG2 20 GLY HA- 3.50 (# 2263:25 Unique 3.02, 3.99 A
)
&rst
ixpk= 2263, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 820, 821, 822,
igr2= 323, 324,
&end
#
# 55 ILE QG2 21 PHE HA 5.50 (# 2264:25 Unique 3.42, 4.91 A
)
&rst
ixpk= 2264, nxpk= 25, iat= -1, 330, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 820, 821, 822,
&end
#
# 50 MET ME 21 PHE HA 4.50 (# 2265:25 Unique 3.06, 3.83 A
)
&rst
ixpk= 2265, nxpk= 25, iat= -1, 330, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 755, 756, 757,
&end
#
# 0 AMB 25-2:2266 21 PHE HA 4.50 (# 2266:25 Single Ambig
)
&rst
ixpk= 2266, nxpk= 25, iat= -1, 330, r1= 0.00, r2= 1.80, r3= 6.71, r4= 7.46,
igr1= 386, 387, 388,1863,1864,1865,1867,1868,1869,1806,
1807,
&end
#
# 0 AMB 25-2:2267 21 PHE HA 4.50 (# 2267:25 Single Ambig
)
&rst
ixpk= 2267, nxpk= 25, iat= -1, 330, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 398, 399, 352, 353, 354,
&end
#
# 25 LEU HG 21 PHE HA 4.50 (# 2268:25 Unique 3.42, 3.49 A
)
&rst
ixpk= 2268, nxpk= 25, iat= 401, 330, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 21 PHE HE 21 PHE HA 4.50 (# 2270:25 Unique 4.37, 5.22 A
)
&rst
ixpk= 2270, nxpk= 25, iat= -1, 330, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 338, 342,
&end
#
# 0 AMB 25-2:2271 21 PHE HA 4.50 (# 2271:25 Single Ambig
)
&rst
ixpk= 2271, nxpk= 25, iat= -1, 330, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 394, 358,
&end
#
# 22 ALA HN 21 PHE HA 5.50 (# 2272:25 Unique 3.62, 3.63 A
)
&rst
ixpk= 2272, nxpk= 25, iat= 348, 330, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 21 PHE HN 21 PHE HB+ 4.50 (# 2273:25 Unique 2.44, 3.07 A
)
&rst
ixpk= 2273, nxpk= 25, iat= 328, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 332, 333,
&end
#
# 22 ALA HN 21 PHE HB+ 4.50 (# 2274:25 Unique 2.44, 3.05 A
)
&rst
ixpk= 2274, nxpk= 25, iat= 348, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 332, 333,
&end
#
# 22 ALA HN 21 PHE HB- 4.50 (# 2275:25 Unique 2.44, 3.05 A
)
&rst
ixpk= 2275, nxpk= 25, iat= 348, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 332, 333,
&end
#
# 21 PHE HA 21 PHE HB- 4.50 (# 2276:25 Unique 2.41, 2.77 A
)
&rst
ixpk= 2276, nxpk= 25, iat= 330, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 332, 333,
&end
#
# 18 ALA HA 21 PHE HB+ 4.50 (# 2277:25 Unique 2.60, 3.72 A
)
&rst
ixpk= 2277, nxpk= 25, iat= 298, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 332, 333,
&end
#
# 18 ALA HA 21 PHE HB- 5.50 (# 2278:25 Unique 2.60, 3.72 A
)
&rst
ixpk= 2278, nxpk= 25, iat= 298, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 332, 333,
&end
#
# 123 VAL MGY 21 PHE HB+ 3.50 (# 2279:25 Unique 2.43, 4.14 A
)
&rst
ixpk= 2279, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1863,1864,1865,1867,1868,1869,
igr2= 332, 333,
&end
#
# 123 VAL MGY 21 PHE HB- 3.50 (# 2280:25 Unique 2.43, 4.14 A
)
&rst
ixpk= 2280, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1863,1864,1865,1867,1868,1869,
igr2= 332, 333,
&end
#
# 0 AMB 25-2:2281 0 AMB 25-1:2281 5.50 (# 2281:25 Double Ambig
)
&rst
ixpk= 2281, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.06, r4= 9.81,
igr1= 755, 756, 757,1800,1801,
igr2= 332, 333, 332, 333,
&end
#
# 0 AMB 25-2:2282 21 PHE HB- 5.50 (# 2282:25 Single Ambig
)
&rst
ixpk= 2282, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
igr1= 755, 756, 757,1800,1801,
igr2= 332, 333,
&end
#
# 76 VAL MGX 73 TYR HB+ 4.50 (# 2283:25 Unique 2.46, 4.79 A
)
&rst
ixpk= 2283, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1121,1122,1123,1125,1126,1127,
igr2=1070,1071,
&end
#
# 123 VAL HB 21 PHE HB+ 4.50 (# 2285:25 Unique 3.44, 3.63 A
)
&rst
ixpk= 2285, nxpk= 25, iat=1861, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 332, 333,
&end
#
# 112 PHE HD 46 ALA HA 3.50 (# 2286:25 Unique 2.88, 4.98 A
)
&rst
ixpk= 2286, nxpk= 25, iat= -1, 690, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1666,1674,
&end
#
# 21 PHE HN 22 ALA MB 5.50 (# 2287:25 Unique 4.88, 5.47 A
)
&rst
ixpk= 2287, nxpk= 25, iat= 328, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 352, 353, 354,
&end
#
# 26 GLY HN 22 ALA MB 5.50 (# 2288:25 Unique 4.58, 5.23 A
)
&rst
ixpk= 2288, nxpk= 25, iat= 413, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 352, 353, 354,
&end
#
# 0 AMB 25-2:2289 22 ALA MB 5.50 (# 2289:25 Single Ambig
)
&rst
ixpk= 2289, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 360, 415, 416,
igr2= 352, 353, 354,
&end
#
# 21 PHE HB+ 22 ALA MB 5.50 (# 2290:25 Unique 4.08, 5.39 A
)
&rst
ixpk= 2290, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 332, 333,
igr2= 352, 353, 354,
&end
#
# 21 PHE HB- 22 ALA MB 5.50 (# 2291:25 Unique 4.08, 5.39 A
)
&rst
ixpk= 2291, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 332, 333,
igr2= 352, 353, 354,
&end
#
# 123 VAL MGY 22 ALA MB 3.50 (# 2292:25 Unique 2.32, 4.16 A
)
&rst
ixpk= 2292, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1863,1864,1865,1867,1868,1869,
igr2= 352, 353, 354,
&end
#
# 45 THR MG2 109 LEU HA 4.50 (# 2293:25 Unique 3.90, 4.47 A
)
&rst
ixpk= 2293, nxpk= 25, iat= -1,1610, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 680, 681, 682,
&end
#
# 32 VAL MGY 23 LYS HA 4.50 (# 2294:25 Unique 2.78, 4.74 A
)
&rst
ixpk= 2294, nxpk= 25, iat= -1, 360, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 494, 495, 496, 498, 499, 500,
&end
#
# 24 THR HN 23 LYS HA 4.50 (# 2296:25 Unique 3.66, 3.67 A
)
&rst
ixpk= 2296, nxpk= 25, iat= 380, 360, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 112 PHE HN 109 LEU HA 3.50 (# 2297:25 Unique 3.18, 3.26 A
)
&rst
ixpk= 2297, nxpk= 25, iat=1658,1610, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 45 THR HN 44 PRO HB- 4.50 (# 2298:25 Unique 3.25, 3.74 A
)
&rst
ixpk= 2298, nxpk= 25, iat= 674, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 667, 668,
&end
#
# 42 VAL HN 41 ARG HB+ 3.50 (# 2299:25 Unique 2.48, 3.40 A
)
&rst
ixpk= 2299, nxpk= 25, iat= 627, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 607, 608,
&end
#
# 41 ARG HN 41 ARG HB+ 5.50 (# 2300:25 Unique 2.27, 3.05 A
)
&rst
ixpk= 2300, nxpk= 25, iat= 603, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 607, 608,
&end
#
# 24 THR HN 23 LYS HB+ 4.50 (# 2301:25 Unique 3.89, 4.09 A
)
&rst
ixpk= 2301, nxpk= 25, iat= 380, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 362, 363,
&end
#
# 24 THR HN 23 LYS HB- 4.50 (# 2302:25 Unique 3.89, 4.09 A
)
&rst
ixpk= 2302, nxpk= 25, iat= 380, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 362, 363,
&end
#
# 23 LYS HG- 23 LYS HB+ 3.50 (# 2303:25 Unique 2.37, 2.75 A
)
&rst
ixpk= 2303, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 365, 366,
igr2= 362, 363,
&end
#
# 23 LYS HN 23 LYS HG+ 4.50 (# 2304:25 Unique 2.13, 2.96 A
)
&rst
ixpk= 2304, nxpk= 25, iat= 358, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 365, 366,
&end
#
# 23 LYS HN 23 LYS HG- 4.50 (# 2305:25 Unique 2.13, 2.96 A
)
&rst
ixpk= 2305, nxpk= 25, iat= 358, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 365, 366,
&end
#
# 0 AMB 25-2:2306 0 AMB 25-1:2306 4.50 (# 2306:25 Double Ambig
)
&rst
ixpk= 2306, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 382, 360,
igr2= 365, 366, 365, 366,
&end
#
# 20 GLY HA+ 23 LYS HG+ 5.50 (# 2307:25 Unique 2.46, 4.15 A
)
&rst
ixpk= 2307, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 323, 324,
igr2= 365, 366,
&end
#
# 0 AMB 25-2:2310 0 AMB 25-1:2310 2.80 (# 2310:25 Double Ambig
)
&rst
ixpk= 2310, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 371, 372, 158, 159, 450, 451,
igr2= 368, 369, 155, 156, 447, 448,
&end
#
# 45 THR HN 44 PRO HA 5.50 (# 2312:25 Unique 3.57, 3.62 A
)
&rst
ixpk= 2312, nxpk= 25, iat= 674, 670, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:2313 44 PRO HA 4.50 (# 2313:25 Single Ambig
)
&rst
ixpk= 2313, nxpk= 25, iat= -1, 670, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 661, 662, 647, 648,
&end
#
# 47 ILE HG1- 44 PRO HA 4.50 (# 2314:25 Unique 2.69, 3.99 A
)
&rst
ixpk= 2314, nxpk= 25, iat= -1, 670, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 708, 709,
&end
#
# 61 THR MG2 61 THR HB 2.80 (# 2315:25 Unique 2.40, 2.64 A
)
&rst
ixpk= 2315, nxpk= 25, iat= -1, 903, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 905, 906, 907,
&end
#
# 0 AMB 25-2:2316 24 THR HB 4.50 (# 2316:25 Single Ambig
)
&rst
ixpk= 2316, nxpk= 25, iat= -1, 384, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 824, 825, 403, 404, 405, 407, 408, 409,
&end
#
# 25 LEU HG 24 THR HB 4.50 (# 2317:25 Unique 2.88, 2.92 A
)
&rst
ixpk= 2317, nxpk= 25, iat= 401, 384, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 25 LEU HB- 24 THR HB 4.50 (# 2318:25 Unique 4.58, 5.09 A
)
&rst
ixpk= 2318, nxpk= 25, iat= -1, 384, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 398, 399,
&end
#
# 0 AMB 25-2:2320 24 THR HB 5.50 (# 2320:25 Single Ambig
)
&rst
ixpk= 2320, nxpk= 25, iat= -1, 384, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 413, 321,
&end
#
# 61 THR HN 61 THR HB 5.50 (# 2321:25 Unique 3.63, 3.84 A
)
&rst
ixpk= 2321, nxpk= 25, iat= 899, 903, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:2322 0 AMB 25-1:2322 3.50 (# 2322:25 Double Ambig
)
&rst
ixpk= 2322, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 633, 634, 635, 637, 638, 639,1934,1935,1936, 711,
712, 713,
igr2= 645, 396,
&end
#
# 27 ALA HN 25 LEU HA 5.50 (# 2323:25 Unique 5.07, 5.13 A
)
&rst
ixpk= 2323, nxpk= 25, iat= 420, 396, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 26 GLY HN 25 LEU HA 3.50 (# 2324:25 Unique 3.54, 3.55 A
)
&rst
ixpk= 2324, nxpk= 25, iat= 413, 396, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 26 GLY HN 25 LEU HB+ 4.50 (# 2325:25 Unique 2.39, 2.98 A
)
&rst
ixpk= 2325, nxpk= 25, iat= 413, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 398, 399,
&end
#
# 26 GLY HN 25 LEU HB- 4.50 (# 2326:25 Unique 2.39, 2.98 A
)
&rst
ixpk= 2326, nxpk= 25, iat= 413, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 398, 399,
&end
#
# 22 ALA HA 25 LEU HB+ 4.50 (# 2327:25 Unique 2.44, 3.31 A
)
&rst
ixpk= 2327, nxpk= 25, iat= 350, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 398, 399,
&end
#
# 22 ALA HA 25 LEU HB- 4.50 (# 2328:25 Unique 2.44, 3.31 A
)
&rst
ixpk= 2328, nxpk= 25, iat= 350, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 398, 399,
&end
#
# 0 AMB 25-2:2329 25 LEU HG 4.50 (# 2329:25 Single Ambig
)
&rst
ixpk= 2329, nxpk= 25, iat= -1, 401, r1= 0.00, r2= 1.80, r3= 6.71, r4= 7.46,
igr1= 386, 387, 388,1863,1864,1865,1867,1868,1869,1806,
1807,
&end
#
# 29 LYS HN 26 GLY HA- 5.50 (# 2331:25 Unique 3.84, 4.26 A
)
&rst
ixpk= 2331, nxpk= 25, iat= 437, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 415, 416,
&end
#
# 0 AMB 25-2:2332 26 GLY HA- 5.50 (# 2332:25 Single Ambig
)
&rst
ixpk= 2332, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 394, 358,
igr2= 415, 416,
&end
#
# 30 ILE HN 26 GLY HA+ 5.50 (# 2333:25 Unique 3.86, 4.05 A
)
&rst
ixpk= 2333, nxpk= 25, iat= 459, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 415, 416,
&end
#
# 30 ILE HN 26 GLY HA- 5.50 (# 2334:25 Unique 3.86, 4.05 A
)
&rst
ixpk= 2334, nxpk= 25, iat= 459, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 415, 416,
&end
#
# 27 ALA HN 26 GLY HA+ 3.50 (# 2335:25 Unique 3.12, 3.40 A
)
&rst
ixpk= 2335, nxpk= 25, iat= 420, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 415, 416,
&end
#
# 27 ALA HN 26 GLY HA- 4.50 (# 2336:25 Unique 3.12, 3.40 A
)
&rst
ixpk= 2336, nxpk= 25, iat= 420, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 415, 416,
&end
#
# 0 AMB 25-2:2337 0 AMB 25-1:2337 5.50 (# 2337:25 Double Ambig
)
&rst
ixpk= 2337, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 441, 442,1925,
igr2= 415, 416, 415, 416,
&end
#
# 0 AMB 25-2:2338 26 GLY HA- 5.50 (# 2338:25 Single Ambig
)
&rst
ixpk= 2338, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 441, 442,1925, 401,
igr2= 415, 416,
&end
#
# 29 LYS HD+ 26 GLY HA- 3.50 (# 2339:25 Unique 2.19, 3.08 A
)
&rst
ixpk= 2339, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 447, 448,
igr2= 415, 416,
&end
#
# 30 ILE HG1- 26 GLY HA- 3.50 (# 2340:25 Unique 2.08, 3.18 A
)
&rst
ixpk= 2340, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 469, 470,
igr2= 415, 416,
&end
#
# 30 ILE HG1- 26 GLY HA+ 3.50 (# 2341:25 Unique 2.08, 3.18 A
)
&rst
ixpk= 2341, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 469, 470,
igr2= 415, 416,
&end
#
# 29 LYS HN 27 ALA HA 3.50 (# 2342:25 Unique 3.52, 3.56 A
)
&rst
ixpk= 2342, nxpk= 25, iat= 437, 422, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 26 GLY HN 27 ALA HA 5.50 (# 2343:25 Unique 4.90, 4.94 A
)
&rst
ixpk= 2343, nxpk= 25, iat= 413, 422, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 28 GLY HN 28 GLY HA+ 4.50 (# 2344:25 Unique 2.49, 2.76 A
)
&rst
ixpk= 2344, nxpk= 25, iat= 430, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 432, 433,
&end
#
# 28 GLY HN 28 GLY HA- 3.50 (# 2345:25 Unique 2.49, 2.76 A
)
&rst
ixpk= 2345, nxpk= 25, iat= 430, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 432, 433,
&end
#
# 29 LYS HN 28 GLY HA+ 3.50 (# 2346:25 Unique 2.83, 3.29 A
)
&rst
ixpk= 2346, nxpk= 25, iat= 437, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 432, 433,
&end
#
# 29 LYS HN 28 GLY HA- 4.50 (# 2347:25 Unique 2.83, 3.29 A
)
&rst
ixpk= 2347, nxpk= 25, iat= 437, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 432, 433,
&end
#
# 107 GLN HN 106 GLY HA+ 4.50 (# 2348:25 Unique 2.91, 3.34 A
)
&rst
ixpk= 2348, nxpk= 25, iat=1580, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1575,1576,
&end
#
# 0 AMB 25-2:2350 28 GLY HA- 5.50 (# 2350:25 Single Ambig
)
&rst
ixpk= 2350, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
igr1= 15, 16, 17, 441, 442,
igr2= 432, 433,
&end
#
# 27 ALA MB 28 GLY HA+ 4.50 (# 2351:25 Unique 4.68, 5.41 A
)
&rst
ixpk= 2351, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 424, 425, 426,
igr2= 432, 433,
&end
#
# 27 ALA MB 28 GLY HA- 5.50 (# 2352:25 Unique 4.68, 5.41 A
)
&rst
ixpk= 2352, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 424, 425, 426,
igr2= 432, 433,
&end
#
# 30 ILE QG2 29 LYS HA 4.50 (# 2353:25 Unique 4.73, 5.51 A
)
&rst
ixpk= 2353, nxpk= 25, iat= -1, 439, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 465, 466, 467,
&end
#
# 1 MET HG- 29 LYS HA 4.50 (# 2354:25 Unique 3.86, 5.02 A
)
&rst
ixpk= 2354, nxpk= 25, iat= -1, 439, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 11, 12,
&end
#
# 30 ILE HN 29 LYS HB+ 4.50 (# 2355:25 Unique 4.05, 4.25 A
)
&rst
ixpk= 2355, nxpk= 25, iat= 459, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 441, 442,
&end
#
# 30 ILE HN 29 LYS HB- 4.50 (# 2356:25 Unique 4.05, 4.25 A
)
&rst
ixpk= 2356, nxpk= 25, iat= 459, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 441, 442,
&end
#
# 26 GLY HA+ 29 LYS HB- 5.50 (# 2357:25 Unique 5.23, 6.01 A
)
&rst
ixpk= 2357, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 415, 416,
igr2= 441, 442,
&end
#
# 29 LYS HG+ 29 LYS HB+ 2.80 (# 2358:25 Unique 2.26, 2.61 A
)
&rst
ixpk= 2358, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 444, 445,
igr2= 441, 442,
&end
#
# 29 LYS HG+ 29 LYS HB- 2.80 (# 2359:25 Unique 2.26, 2.61 A
)
&rst
ixpk= 2359, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 444, 445,
igr2= 441, 442,
&end
#
# 30 ILE QG2 29 LYS HB- 3.50 (# 2360:25 Unique 3.83, 5.37 A
)
&rst
ixpk= 2360, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 465, 466, 467,
igr2= 441, 442,
&end
#
# 77 ILE QD1 97 GLU HB+ 3.50 (# 2361:25 Unique 2.13, 3.71 A
)
&rst
ixpk= 2361, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1144,1145,1146,
igr2=1437,1438,
&end
#
# 29 LYS HE+ 29 LYS HG+ 3.50 (# 2362:25 Unique 2.18, 3.64 A
)
&rst
ixpk= 2362, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 450, 451,
igr2= 444, 445,
&end
#
# 29 LYS HB+ 29 LYS HG+ 2.80 (# 2363:25 Unique 2.26, 2.61 A
)
&rst
ixpk= 2363, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 441, 442,
igr2= 444, 445,
&end
#
# 29 LYS HA 29 LYS HD+ 4.50 (# 2365:25 Unique 4.14, 4.73 A
)
&rst
ixpk= 2365, nxpk= 25, iat= 439, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 447, 448,
&end
#
# 29 LYS HA 29 LYS HD- 4.50 (# 2366:25 Unique 4.14, 4.73 A
)
&rst
ixpk= 2366, nxpk= 25, iat= 439, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 447, 448,
&end
#
# 0 AMB 25-2:2367 30 ILE HA 4.50 (# 2367:25 Single Ambig
)
&rst
ixpk= 2367, nxpk= 25, iat= -1, 461, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 50, 51, 31, 32,
&end
#
# 30 ILE HG1+ 30 ILE HA 4.50 (# 2368:25 Unique 3.61, 3.83 A
)
&rst
ixpk= 2368, nxpk= 25, iat= -1, 461, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 469, 470,
&end
#
# 0 AMB 25-2:2369 30 ILE HA 4.50 (# 2369:25 Single Ambig
)
&rst
ixpk= 2369, nxpk= 25, iat= -1, 461, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 71, 72, 73, 75, 76, 77,1985,1986,1987,
&end
#
# 30 ILE HN 30 ILE HB 4.50 (# 2370:25 Unique 3.84, 3.89 A
)
&rst
ixpk= 2370, nxpk= 25, iat= 459, 463, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 4 VAL HN 30 ILE HB 5.50 (# 2371:25 Unique 3.34, 3.51 A
)
&rst
ixpk= 2371, nxpk= 25, iat= 65, 463, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 122 ARG HN 122 ARG HD- 4.50 (# 2372:25 Unique 2.42, 3.99 A
)
&rst
ixpk= 2372, nxpk= 25, iat=1833, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1843,1844,
&end
#
# 26 GLY HA+ 30 ILE HG1+ 5.50 (# 2373:25 Unique 2.08, 3.18 A
)
&rst
ixpk= 2373, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 415, 416,
igr2= 469, 470,
&end
#
# 26 GLY HA- 30 ILE HG1+ 3.50 (# 2374:25 Unique 2.08, 3.18 A
)
&rst
ixpk= 2374, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 415, 416,
igr2= 469, 470,
&end
#
# 0 AMB 25-2:2375 0 AMB 25-1:2375 2.80 (# 2375:25 Double Ambig
)
&rst
ixpk= 2375, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.22, r4= 5.97,
igr1= 447, 448, 47, 48, 607, 608, 463,
igr2= 469, 470, 50, 51, 610, 611,
&end
#
# 0 AMB 25-2:2376 0 AMB 25-1:2376 4.50 (# 2376:25 Double Ambig
)
&rst
ixpk= 2376, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 394, 358, 504,
igr2=1934,1935,1936, 472, 473, 474,
&end
#
# 127 ILE HN 30 ILE QD1 4.50 (# 2377:25 Unique 5.17, 5.77 A
)
&rst
ixpk= 2377, nxpk= 25, iat=1921, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 472, 473, 474,
&end
#
# 0 AMB 25-2:2378 0 AMB 25-1:2378 4.50 (# 2378:25 Double Ambig
)
&rst
ixpk= 2378, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 459,1972,
igr2= 472, 473, 474,1934,1935,1936,
&end
#
# 6 PHE HE 0 AMB 25-1:2379 5.50 (# 2379:25 Single Ambig
)
&rst
ixpk= 2379, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 108, 112,
igr2= 472, 473, 474,1934,1935,1936,
&end
#
# 2 LYS HN 30 ILE QG2 4.50 (# 2381:25 Unique 2.46, 3.95 A
)
&rst
ixpk= 2381, nxpk= 25, iat= 21, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 465, 466, 467,
&end
#
# 29 LYS HA 30 ILE QG2 5.50 (# 2382:25 Unique 4.73, 5.51 A
)
&rst
ixpk= 2382, nxpk= 25, iat= 439, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 465, 466, 467,
&end
#
# 0 AMB 25-2:2383 31 ALA HA 5.50 (# 2383:25 Single Ambig
)
&rst
ixpk= 2383, nxpk= 25, iat= -1, 480, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 494, 495, 496, 498, 499, 500, 469, 470,
&end
#
# 0 AMB 25-2:2384 31 ALA HA 4.50 (# 2384:25 Single Ambig
)
&rst
ixpk= 2384, nxpk= 25, iat= -1, 480, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 463, 69, 47, 48, 8, 9,
&end
#
# 32 VAL HB 31 ALA HA 4.50 (# 2385:25 Unique 4.30, 4.43 A
)
&rst
ixpk= 2385, nxpk= 25, iat= 492, 480, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 32 VAL HA 31 ALA HA 4.50 (# 2386:25 Unique 4.46, 4.48 A
)
&rst
ixpk= 2386, nxpk= 25, iat= 490, 480, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 3 LYS HE+ 31 ALA MB 4.50 (# 2387:25 Unique 2.84, 3.83 A
)
&rst
ixpk= 2387, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 56, 57,
igr2= 482, 483, 484,
&end
#
# 1 MET HG- 31 ALA MB 4.50 (# 2388:25 Unique 3.20, 4.66 A
)
&rst
ixpk= 2388, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 11, 12,
igr2= 482, 483, 484,
&end
#
# 1 MET ME 31 ALA MB 3.50 (# 2389:25 Unique 3.24, 5.40 A
)
&rst
ixpk= 2389, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 15, 16, 17,
igr2= 482, 483, 484,
&end
#
# 0 AMB 25-2:2390 31 ALA MB 3.50 (# 2390:25 Single Ambig
)
&rst
ixpk= 2390, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
igr1= 47, 48, 8, 9, 463,
igr2= 482, 483, 484,
&end
#
# 4 VAL MGY 32 VAL HA 4.50 (# 2391:25 Unique 2.17, 4.46 A
)
&rst
ixpk= 2391, nxpk= 25, iat= -1, 490, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 71, 72, 73, 75, 76, 77,
&end
#
# 4 VAL MGX 32 VAL HA 4.50 (# 2392:25 Unique 2.17, 4.46 A
)
&rst
ixpk= 2392, nxpk= 25, iat= -1, 490, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 71, 72, 73, 75, 76, 77,
&end
#
# 31 ALA MB 32 VAL HA 4.50 (# 2393:25 Unique 4.58, 5.23 A
)
&rst
ixpk= 2393, nxpk= 25, iat= -1, 490, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 482, 483, 484,
&end
#
# 0 AMB 25-2:2394 32 VAL HA 5.50 (# 2394:25 Single Ambig
)
&rst
ixpk= 2394, nxpk= 25, iat= -1, 490, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 50, 51, 85, 86,
&end
#
# 0 AMB 25-2:2395 32 VAL HA 4.50 (# 2395:25 Single Ambig
)
&rst
ixpk= 2395, nxpk= 25, iat= -1, 490, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 83, 480, 67,
&end
#
# 22 ALA HA 32 VAL MGY 5.50 (# 2396:25 Unique 4.76, 5.98 A
)
&rst
ixpk= 2396, nxpk= 25, iat= 350, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 494, 495, 496, 498, 499, 500,
&end
#
# 0 AMB 25-2:2397 57 ILE HA 4.50 (# 2397:25 Single Ambig
)
&rst
ixpk= 2397, nxpk= 25, iat= -1, 847, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 708, 709, 858, 859, 860,
&end
#
# 47 ILE QG2 57 ILE HA 5.50 (# 2398:25 Unique 4.80, 5.88 A
)
&rst
ixpk= 2398, nxpk= 25, iat= -1, 847, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 704, 705, 706,
&end
#
# 32 VAL HA 33 THR HA 4.50 (# 2399:25 Unique 4.34, 4.38 A
)
&rst
ixpk= 2399, nxpk= 25, iat= 490, 506, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 6 PHE HN 33 THR HB 5.50 (# 2400:25 Unique 4.07, 4.42 A
)
&rst
ixpk= 2400, nxpk= 25, iat= 98, 508, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 32 VAL HA 33 THR HB 5.50 (# 2402:25 Unique 4.55, 4.65 A
)
&rst
ixpk= 2402, nxpk= 25, iat= 490, 508, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 5 MET HA 33 THR HB 4.50 (# 2403:25 Unique 2.92, 3.33 A
)
&rst
ixpk= 2403, nxpk= 25, iat= 83, 508, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:2404 33 THR HB 5.50 (# 2404:25 Single Ambig
)
&rst
ixpk= 2404, nxpk= 25, iat= -1, 508, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 88, 89, 85, 86,
&end
#
# 0 AMB 25-2:2405 0 AMB 25-1:2405 5.50 (# 2405:25 Double Ambig
)
&rst
ixpk= 2405, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 952,1610,
igr2= 510, 511, 512,1648,1649,1650,1652,1653,1654,
&end
#
# 112 PHE HN 111 VAL MGY 4.50 (# 2406:25 Unique 3.41, 4.47 A
)
&rst
ixpk= 2406, nxpk= 25, iat=1658, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1648,1649,1650,1652,1653,1654,
&end
#
# 33 THR HN 33 THR MG2 4.50 (# 2407:25 Unique 4.42, 4.76 A
)
&rst
ixpk= 2407, nxpk= 25, iat= 504, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 510, 511, 512,
&end
#
# 33 THR MG2 34 SER HA 4.50 (# 2408:25 Unique 3.95, 5.06 A
)
&rst
ixpk= 2408, nxpk= 25, iat= -1, 520, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 510, 511, 512,
&end
#
# 5 MET HG+ 34 SER HA 4.50 (# 2409:25 Unique 3.47, 4.66 A
)
&rst
ixpk= 2409, nxpk= 25, iat= -1, 520, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 88, 89,
&end
#
# 19 GLU HB+ 34 SER HA 5.50 (# 2410:25 Unique 3.65, 4.77 A
)
&rst
ixpk= 2410, nxpk= 25, iat= -1, 520, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 310, 311,
&end
#
# 6 PHE HB+ 34 SER HA 3.50 (# 2412:25 Unique 2.33, 3.27 A
)
&rst
ixpk= 2412, nxpk= 25, iat= -1, 520, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 102, 103,
&end
#
# 33 THR HA 34 SER HA 5.50 (# 2413:25 Unique 4.39, 4.45 A
)
&rst
ixpk= 2413, nxpk= 25, iat= 506, 520, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 5 MET HA 34 SER HA 4.50 (# 2415:25 Unique 3.76, 4.21 A
)
&rst
ixpk= 2415, nxpk= 25, iat= 83, 520, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 35 CYS HA 34 SER HA 4.50 (# 2416:25 Unique 4.46, 4.52 A
)
&rst
ixpk= 2416, nxpk= 25, iat= 531, 520, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 6 PHE HD 34 SER HA 4.50 (# 2417:25 Unique 3.45, 4.86 A
)
&rst
ixpk= 2417, nxpk= 25, iat= -1, 520, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 106, 114,
&end
#
# 11 ASN HD2+ 34 SER HA 5.50 (# 2418:25 Unique 4.19, 5.08 A
)
&rst
ixpk= 2418, nxpk= 25, iat= -1, 520, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 200, 201,
&end
#
# 0 AMB 25-2:2419 0 AMB 25-1:2419 4.50 (# 2419:25 Double Ambig
)
&rst
ixpk= 2419, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 529,1780,
igr2= 522, 523,1718,
&end
#
# 115 VAL HN 111 VAL HA 4.50 (# 2420:25 Unique 3.75, 3.89 A
)
&rst
ixpk= 2420, nxpk= 25, iat=1716,1644, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 35 CYS HN 34 SER HB- 4.50 (# 2421:25 Unique 2.38, 3.49 A
)
&rst
ixpk= 2421, nxpk= 25, iat= 529, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 522, 523,
&end
#
# 11 ASN HD2+ 34 SER HB- 4.50 (# 2422:25 Unique 2.60, 4.65 A
)
&rst
ixpk= 2422, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 200, 201,
igr2= 522, 523,
&end
#
# 6 PHE HD 34 SER HB- 5.50 (# 2423:25 Unique 2.92, 5.38 A
)
&rst
ixpk= 2423, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 106, 114,
igr2= 522, 523,
&end
#
# 34 SER HA 34 SER HB+ 3.50 (# 2424:25 Unique 2.31, 2.47 A
)
&rst
ixpk= 2424, nxpk= 25, iat= 520, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 522, 523,
&end
#
# 34 SER HA 34 SER HB- 3.50 (# 2425:25 Unique 2.31, 2.47 A
)
&rst
ixpk= 2425, nxpk= 25, iat= 520, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 522, 523,
&end
#
# 11 ASN HD2+ 34 SER HB+ 5.50 (# 2426:25 Unique 2.60, 4.65 A
)
&rst
ixpk= 2426, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 200, 201,
igr2= 522, 523,
&end
#
# 6 PHE HB+ 34 SER HB- 4.50 (# 2429:25 Unique 2.42, 3.75 A
)
&rst
ixpk= 2429, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 102, 103,
igr2= 522, 523,
&end
#
# 19 GLU HB+ 34 SER HB- 4.50 (# 2430:25 Unique 2.04, 3.32 A
)
&rst
ixpk= 2430, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 310, 311,
igr2= 522, 523,
&end
#
# 63 ASP HB+ 35 CYS HA 4.50 (# 2431:25 Unique 2.97, 4.20 A
)
&rst
ixpk= 2431, nxpk= 25, iat= -1, 531, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 928, 929,
&end
#
# 36 GLY HA- 35 CYS HA 4.50 (# 2432:25 Unique 4.42, 4.53 A
)
&rst
ixpk= 2432, nxpk= 25, iat= -1, 531, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 542, 543,
&end
#
# 68 PHE HE 35 CYS HB+ 5.50 (# 2435:25 Unique 3.02, 6.39 A
)
&rst
ixpk= 2435, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1008,1012,
igr2= 533, 534,
&end
#
# 35 CYS HA 35 CYS HB- 4.50 (# 2436:25 Unique 2.38, 2.63 A
)
&rst
ixpk= 2436, nxpk= 25, iat= 531, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 533, 534,
&end
#
# 0 AMB 25-2:2437 0 AMB 25-1:2437 4.50 (# 2437:25 Double Ambig
)
&rst
ixpk= 2437, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 124, 125, 126, 128, 129, 130, 92, 93, 94,
igr2= 533, 534, 533, 534,
&end
#
# 36 GLY HN 36 GLY HA+ 3.50 (# 2438:25 Unique 2.54, 2.81 A
)
&rst
ixpk= 2438, nxpk= 25, iat= 540, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 542, 543,
&end
#
# 8 CYS HN 36 GLY HA+ 3.50 (# 2439:25 Unique 2.01, 2.74 A
)
&rst
ixpk= 2439, nxpk= 25, iat= 134, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 542, 543,
&end
#
# 38 GLU HN 36 GLY HA+ 4.50 (# 2440:25 Unique 2.94, 3.65 A
)
&rst
ixpk= 2440, nxpk= 25, iat= 566, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 542, 543,
&end
#
# 0 AMB 25-2:2441 0 AMB 25-1:2441 3.50 (# 2441:25 Double Ambig
)
&rst
ixpk= 2441, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 120, 169,
igr2= 542, 543, 542, 543,
&end
#
# 0 AMB 25-2:2442 0 AMB 25-1:2442 5.50 (# 2442:25 Double Ambig
)
&rst
ixpk= 2442, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 549, 147,
igr2= 542, 543, 542, 543,
&end
#
# 11 ASN HB+ 36 GLY HA+ 5.50 (# 2443:25 Unique 2.15, 3.82 A
)
&rst
ixpk= 2443, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 195, 196,
igr2= 542, 543,
&end
#
# 11 ASN HB- 36 GLY HA+ 4.50 (# 2444:25 Unique 2.15, 3.82 A
)
&rst
ixpk= 2444, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 195, 196,
igr2= 542, 543,
&end
#
# 37 LEU HG 36 GLY HA+ 5.50 (# 2445:25 Unique 3.76, 4.65 A
)
&rst
ixpk= 2445, nxpk= 25, iat= 554, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 542, 543,
&end
#
# 7 VAL MGY 36 GLY HA+ 5.50 (# 2446:25 Unique 2.48, 5.45 A
)
&rst
ixpk= 2446, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 124, 125, 126, 128, 129, 130,
igr2= 542, 543,
&end
#
# 7 VAL MGY 36 GLY HA- 5.50 (# 2447:25 Unique 2.48, 5.45 A
)
&rst
ixpk= 2447, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 124, 125, 126, 128, 129, 130,
igr2= 542, 543,
&end
#
# 38 GLU HN 36 GLY HA- 4.50 (# 2448:25 Unique 2.94, 3.65 A
)
&rst
ixpk= 2448, nxpk= 25, iat= 566, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 542, 543,
&end
#
# 8 CYS HN 36 GLY HA- 4.50 (# 2449:25 Unique 2.01, 2.74 A
)
&rst
ixpk= 2449, nxpk= 25, iat= 134, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 542, 543,
&end
#
# 36 GLY HN 36 GLY HA- 3.50 (# 2450:25 Unique 2.54, 2.81 A
)
&rst
ixpk= 2450, nxpk= 25, iat= 540, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 542, 543,
&end
#
# 35 CYS HN 36 GLY HA- 4.50 (# 2451:25 Unique 4.37, 4.75 A
)
&rst
ixpk= 2451, nxpk= 25, iat= 529, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 542, 543,
&end
#
# 36 GLY HA+ 37 LEU HA 5.50 (# 2453:25 Unique 4.12, 4.54 A
)
&rst
ixpk= 2453, nxpk= 25, iat= -1, 549, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 542, 543,
&end
#
# 65 ILE HB 37 LEU HA 4.50 (# 2454:25 Unique 2.75, 3.47 A
)
&rst
ixpk= 2454, nxpk= 25, iat= 954, 549, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 65 ILE QD1 37 LEU HA 5.50 (# 2455:25 Unique 2.93, 4.29 A
)
&rst
ixpk= 2455, nxpk= 25, iat= -1, 549, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 963, 964, 965,
&end
#
# 37 LEU MDY 37 LEU HB+ 3.50 (# 2456:25 Unique 2.38, 3.33 A
)
&rst
ixpk= 2456, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 556, 557, 558, 560, 561, 562,
igr2= 551, 552,
&end
#
# 37 LEU HN 37 LEU HB+ 3.50 (# 2457:25 Unique 2.38, 3.04 A
)
&rst
ixpk= 2457, nxpk= 25, iat= 547, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 551, 552,
&end
#
# 37 LEU HN 37 LEU HB- 3.50 (# 2458:25 Unique 2.38, 3.04 A
)
&rst
ixpk= 2458, nxpk= 25, iat= 547, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 551, 552,
&end
#
# 38 GLU HN 37 LEU HB+ 4.50 (# 2459:25 Unique 2.88, 3.37 A
)
&rst
ixpk= 2459, nxpk= 25, iat= 566, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 551, 552,
&end
#
# 38 GLU HN 37 LEU HB- 5.50 (# 2460:25 Unique 2.88, 3.37 A
)
&rst
ixpk= 2460, nxpk= 25, iat= 566, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 551, 552,
&end
#
# 78 SER HB- 86 LEU HG 3.50 (# 2461:25 Unique 2.25, 3.65 A
)
&rst
ixpk= 2461, nxpk= 25, iat= -1,1253, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1154,1155,
&end
#
# 37 LEU MDX 37 LEU HG 2.80 (# 2462:25 Unique 2.41, 2.66 A
)
&rst
ixpk= 2462, nxpk= 25, iat= -1, 554, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 556, 557, 558, 560, 561, 562,
&end
#
# 0 AMB 25-2:2463 0 AMB 25-1:2463 2.80 (# 2463:25 Double Ambig
)
&rst
ixpk= 2463, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1255,1256,1257,1259,1260,1261, 556, 557, 558, 560,
561, 562,1222,1223,1224,1226,1227,1228,
igr2=1253, 554,
&end
#
# 37 LEU HN 37 LEU MDX 4.50 (# 2464:25 Unique 2.16, 4.35 A
)
&rst
ixpk= 2464, nxpk= 25, iat= 547, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 556, 557, 558, 560, 561, 562,
&end
#
# 38 GLU HN 37 LEU MDX 5.50 (# 2465:25 Unique 4.66, 5.88 A
)
&rst
ixpk= 2465, nxpk= 25, iat= 566, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 556, 557, 558, 560, 561, 562,
&end
#
# 0 AMB 25-2:2466 38 GLU HA 5.50 (# 2466:25 Single Ambig
)
&rst
ixpk= 2466, nxpk= 25, iat= -1, 568, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 551, 552, 554,
&end
#
# 70 ALA MB 93 GLN HG+ 5.50 (# 2467:25 Unique 2.17, 3.60 A
)
&rst
ixpk= 2467, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1036,1037,1038,
igr2=1369,1370,
&end
#
# 70 ALA MB 93 GLN HG- 5.50 (# 2468:25 Unique 2.17, 3.60 A
)
&rst
ixpk= 2468, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1036,1037,1038,
igr2=1369,1370,
&end
#
# 93 GLN HE2+ 93 GLN HG- 3.50 (# 2469:25 Unique 2.21, 3.24 A
)
&rst
ixpk= 2469, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1374,1375,
igr2=1369,1370,
&end
#
# 11 ASN HB+ 39 SER HA 4.50 (# 2472:25 Unique 2.24, 3.34 A
)
&rst
ixpk= 2472, nxpk= 25, iat= -1, 583, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 195, 196,
&end
#
# 0 AMB 25-2:2473 39 SER HA 4.50 (# 2473:25 Single Ambig
)
&rst
ixpk= 2473, nxpk= 25, iat= -1, 583, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 596, 597, 937, 938,
&end
#
# 64 PRO HA 39 SER HA 4.50 (# 2474:25 Unique 3.32, 3.98 A
)
&rst
ixpk= 2474, nxpk= 25, iat= 946, 583, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 10 ARG HA 39 SER HA 4.50 (# 2475:25 Unique 3.25, 4.04 A
)
&rst
ixpk= 2475, nxpk= 25, iat= 169, 583, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 40 SER HN 39 SER HB- 4.50 (# 2476:25 Unique 2.54, 3.28 A
)
&rst
ixpk= 2476, nxpk= 25, iat= 592, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 585, 586,
&end
#
# 39 SER HN 39 SER HB- 4.50 (# 2477:25 Unique 2.63, 3.29 A
)
&rst
ixpk= 2477, nxpk= 25, iat= 581, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 585, 586,
&end
#
# 39 SER HN 39 SER HB+ 4.50 (# 2478:25 Unique 2.63, 3.29 A
)
&rst
ixpk= 2478, nxpk= 25, iat= 581, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 585, 586,
&end
#
# 63 ASP HA 39 SER HB- 5.50 (# 2479:25 Unique 3.53, 4.11 A
)
&rst
ixpk= 2479, nxpk= 25, iat= 926, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 585, 586,
&end
#
# 64 PRO HA 39 SER HB+ 5.50 (# 2480:25 Unique 2.27, 3.57 A
)
&rst
ixpk= 2480, nxpk= 25, iat= 946, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 585, 586,
&end
#
# 64 PRO HB- 39 SER HB+ 4.50 (# 2482:25 Unique 2.23, 4.26 A
)
&rst
ixpk= 2482, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 943, 944,
igr2= 585, 586,
&end
#
# 64 PRO HB- 39 SER HB- 4.50 (# 2483:25 Unique 2.23, 4.26 A
)
&rst
ixpk= 2483, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 943, 944,
igr2= 585, 586,
&end
#
# 40 SER HN 40 SER HB+ 4.50 (# 2485:25 Unique 2.66, 3.35 A
)
&rst
ixpk= 2485, nxpk= 25, iat= 592, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 596, 597,
&end
#
# 0 AMB 25-2:2486 0 AMB 25-1:2486 5.50 (# 2486:25 Double Ambig
)
&rst
ixpk= 2486, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 177, 178, 917, 918, 585, 586,
igr2= 596, 597, 596, 597, 596, 597,
&end
#
# 10 ARG HB- 40 SER HB+ 3.50 (# 2487:25 Unique 2.48, 4.48 A
)
&rst
ixpk= 2487, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 171, 172,
igr2= 596, 597,
&end
#
# 0 AMB 25-2:2488 0 AMB 25-1:2488 4.50 (# 2488:25 Double Ambig
)
&rst
ixpk= 2488, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 610, 611, 174, 175,
igr2= 596, 597, 596, 597,
&end
#
# 41 ARG HN 41 ARG HB- 5.50 (# 2494:25 Unique 2.27, 3.05 A
)
&rst
ixpk= 2494, nxpk= 25, iat= 603, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 607, 608,
&end
#
# 41 ARG HN 41 ARG HG- 5.50 (# 2495:25 Unique 2.25, 3.02 A
)
&rst
ixpk= 2495, nxpk= 25, iat= 603, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 610, 611,
&end
#
# 3 LYS HE+ 3 LYS HG+ 4.50 (# 2496:25 Unique 2.36, 2.84 A
)
&rst
ixpk= 2496, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 56, 57,
igr2= 50, 51,
&end
#
# 16 GLN HG+ 42 VAL HA 4.50 (# 2498:25 Unique 2.55, 3.71 A
)
&rst
ixpk= 2498, nxpk= 25, iat= -1, 629, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 269, 270,
&end
#
# 86 LEU HG 78 SER HB- 4.50 (# 2499:25 Unique 2.25, 3.65 A
)
&rst
ixpk= 2499, nxpk= 25, iat=1253, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1154,1155,
&end
#
# 62 SER HA 42 VAL MGY 5.50 (# 2500:25 Unique 3.50, 5.76 A
)
&rst
ixpk= 2500, nxpk= 25, iat= 915, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 633, 634, 635, 637, 638, 639,
&end
#
# 12 SER HA 42 VAL MGY 4.50 (# 2501:25 Unique 2.81, 4.75 A
)
&rst
ixpk= 2501, nxpk= 25, iat= 207, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 633, 634, 635, 637, 638, 639,
&end
#
# 60 GLN HN 42 VAL MGY 5.50 (# 2502:25 Unique 3.86, 6.00 A
)
&rst
ixpk= 2502, nxpk= 25, iat= 882, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 633, 634, 635, 637, 638, 639,
&end
#
# 43 HIS HN 43 HIS HA 3.50 (# 2503:25 Unique 2.82, 2.85 A
)
&rst
ixpk= 2503, nxpk= 25, iat= 643, 645, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 46 ALA MB 43 HIS HB- 4.50 (# 2504:25 Unique 2.46, 4.34 A
)
&rst
ixpk= 2504, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 692, 693, 694,
igr2= 647, 648,
&end
#
# 43 HIS HA 43 HIS HB- 4.50 (# 2505:25 Unique 2.55, 2.82 A
)
&rst
ixpk= 2505, nxpk= 25, iat= 645, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 647, 648,
&end
#
# 43 HIS HD2 43 HIS HB+ 5.50 (# 2508:25 Unique 2.70, 3.34 A
)
&rst
ixpk= 2508, nxpk= 25, iat= 656, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 647, 648,
&end
#
# 27 ALA HN 24 THR HA 4.50 (# 2509:25 Unique 4.26, 4.31 A
)
&rst
ixpk= 2509, nxpk= 25, iat= 420, 382, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 44 PRO HD+ 44 PRO HB+ 3.50 (# 2510:25 Unique 3.00, 3.75 A
)
&rst
ixpk= 2510, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 661, 662,
igr2= 667, 668,
&end
#
# 44 PRO HD- 44 PRO HB+ 3.50 (# 2511:25 Unique 3.00, 3.75 A
)
&rst
ixpk= 2511, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 661, 662,
igr2= 667, 668,
&end
#
# 44 PRO HD- 44 PRO HB- 3.50 (# 2512:25 Unique 3.00, 3.75 A
)
&rst
ixpk= 2512, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 661, 662,
igr2= 667, 668,
&end
#
# 64 PRO HA 64 PRO HB- 3.50 (# 2513:25 Unique 2.29, 2.52 A
)
&rst
ixpk= 2513, nxpk= 25, iat= 946, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 943, 944,
&end
#
# 66 GLU HN 64 PRO HB+ 3.50 (# 2514:25 Unique 2.14, 3.16 A
)
&rst
ixpk= 2514, nxpk= 25, iat= 969, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 943, 944,
&end
#
# 67 ASN HN 64 PRO HB+ 5.50 (# 2515:25 Unique 3.53, 4.54 A
)
&rst
ixpk= 2515, nxpk= 25, iat= 984, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 943, 944,
&end
#
# 64 PRO HD+ 64 PRO HB+ 3.50 (# 2516:25 Unique 2.86, 3.70 A
)
&rst
ixpk= 2516, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 937, 938,
igr2= 943, 944,
&end
#
# 45 THR HN 44 PRO HB+ 5.50 (# 2517:25 Unique 3.25, 3.74 A
)
&rst
ixpk= 2517, nxpk= 25, iat= 674, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 667, 668,
&end
#
# 45 THR HN 44 PRO HG+ 5.50 (# 2518:25 Unique 2.23, 3.09 A
)
&rst
ixpk= 2518, nxpk= 25, iat= 674, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 664, 665,
&end
#
# 45 THR HN 44 PRO HG- 5.50 (# 2519:25 Unique 2.23, 3.09 A
)
&rst
ixpk= 2519, nxpk= 25, iat= 674, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 664, 665,
&end
#
# 89 GLU HN 88 PRO HG- 4.50 (# 2520:25 Unique 3.44, 4.36 A
)
&rst
ixpk= 2520, nxpk= 25, iat=1293, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1283,1284,
&end
#
# 89 GLU HN 88 PRO HG+ 4.50 (# 2521:25 Unique 3.44, 4.36 A
)
&rst
ixpk= 2521, nxpk= 25, iat=1293, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1283,1284,
&end
#
# 49 MET HN 45 THR HA 5.50 (# 2522:25 Unique 4.06, 4.37 A
)
&rst
ixpk= 2522, nxpk= 25, iat= 727, 676, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 46 ALA HN 45 THR HA 4.50 (# 2523:25 Unique 3.43, 3.48 A
)
&rst
ixpk= 2523, nxpk= 25, iat= 688, 676, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:2525 45 THR HA 4.50 (# 2525:25 Single Ambig
)
&rst
ixpk= 2525, nxpk= 25, iat= -1, 676, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 664, 665, 702, 738, 739, 740,
&end
#
# 0 AMB 25-2:2526 45 THR HA 5.50 (# 2526:25 Single Ambig
)
&rst
ixpk= 2526, nxpk= 25, iat= -1, 676, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 711, 712, 713,1617,1618,1619,1621,1622,1623,
&end
#
# 45 THR HA 45 THR HB 3.50 (# 2527:25 Unique 2.95, 3.04 A
)
&rst
ixpk= 2527, nxpk= 25, iat= 676, 678, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 112 PHE HZ 45 THR HB 4.50 (# 2528:25 Unique 2.40, 2.53 A
)
&rst
ixpk= 2528, nxpk= 25, iat=1670, 678, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 46 ALA HN 45 THR HB 4.50 (# 2529:25 Unique 3.06, 3.23 A
)
&rst
ixpk= 2529, nxpk= 25, iat= 688, 678, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 112 PHE HE 45 THR HB 3.50 (# 2530:25 Unique 2.94, 3.25 A
)
&rst
ixpk= 2530, nxpk= 25, iat= -1, 678, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1668,1672,
&end
#
# 45 THR HN 45 THR MG2 5.50 (# 2531:25 Unique 3.93, 4.44 A
)
&rst
ixpk= 2531, nxpk= 25, iat= 674, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 680, 681, 682,
&end
#
# 49 MET HN 45 THR MG2 5.50 (# 2532:25 Unique 4.16, 5.06 A
)
&rst
ixpk= 2532, nxpk= 25, iat= 727, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 680, 681, 682,
&end
#
# 109 LEU HA 45 THR MG2 5.50 (# 2533:25 Unique 3.90, 4.47 A
)
&rst
ixpk= 2533, nxpk= 25, iat=1610, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 680, 681, 682,
&end
#
# 112 PHE HB- 45 THR MG2 4.50 (# 2535:25 Unique 3.42, 4.44 A
)
&rst
ixpk= 2535, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1662,1663,
igr2= 680, 681, 682,
&end
#
# 0 AMB 25-2:2536 45 THR MG2 5.50 (# 2536:25 Single Ambig
)
&rst
ixpk= 2536, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 731, 732,1584,1585,
igr2= 680, 681, 682,
&end
#
# 0 AMB 25-2:2537 45 THR MG2 4.50 (# 2537:25 Single Ambig
)
&rst
ixpk= 2537, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1615, 692, 693, 694,
igr2= 680, 681, 682,
&end
#
# 0 AMB 25-2:2539 0 AMB 25-1:2539 4.50 (# 2539:25 Double Ambig
)
&rst
ixpk= 2539, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1931,1932, 494, 495, 496, 498, 499, 500,1551,1552,
igr2= 350, 690,
&end
#
# 123 VAL MGY 22 ALA HA 4.50 (# 2540:25 Unique 2.19, 3.82 A
)
&rst
ixpk= 2540, nxpk= 25, iat= -1, 350, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1863,1864,1865,1867,1868,1869,
&end
#
# 21 PHE HB- 22 ALA HA 4.50 (# 2541:25 Unique 4.03, 4.24 A
)
&rst
ixpk= 2541, nxpk= 25, iat= -1, 350, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 332, 333,
&end
#
# 43 HIS HN 46 ALA MB 4.50 (# 2542:25 Unique 3.48, 4.27 A
)
&rst
ixpk= 2542, nxpk= 25, iat= 643, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 692, 693, 694,
&end
#
# 49 MET HN 46 ALA MB 5.50 (# 2543:25 Unique 5.31, 5.52 A
)
&rst
ixpk= 2543, nxpk= 25, iat= 727, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 692, 693, 694,
&end
#
# 17 MET HN 46 ALA MB 5.50 (# 2544:25 Unique 4.30, 5.29 A
)
&rst
ixpk= 2544, nxpk= 25, iat= 279, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 692, 693, 694,
&end
#
# 112 PHE HZ 46 ALA MB 4.50 (# 2545:25 Unique 4.82, 5.86 A
)
&rst
ixpk= 2545, nxpk= 25, iat=1670, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 692, 693, 694,
&end
#
# 44 PRO HA 46 ALA MB 5.50 (# 2547:25 Unique 4.43, 5.41 A
)
&rst
ixpk= 2547, nxpk= 25, iat= 670, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 692, 693, 694,
&end
#
# 45 THR HB 46 ALA MB 4.50 (# 2548:25 Unique 4.56, 5.52 A
)
&rst
ixpk= 2548, nxpk= 25, iat= 678, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 692, 693, 694,
&end
#
# 17 MET HG- 46 ALA MB 3.50 (# 2549:25 Unique 2.29, 3.69 A
)
&rst
ixpk= 2549, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 286, 287,
igr2= 692, 693, 694,
&end
#
# 0 AMB 25-2:2550 47 ILE HA 2.80 (# 2550:25 Single Ambig
)
&rst
ixpk= 2550, nxpk= 25, iat= -1, 700, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
igr1= 855, 856, 704, 705, 706,
&end
#
# 0 AMB 25-2:2551 47 ILE HA 3.50 (# 2551:25 Single Ambig
)
&rst
ixpk= 2551, nxpk= 25, iat= -1, 700, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 849, 765, 766,
&end
#
# 0 AMB 25-2:2552 47 ILE HA 4.50 (# 2552:25 Single Ambig
)
&rst
ixpk= 2552, nxpk= 25, iat= -1, 700, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 719, 670,
&end
#
# 47 ILE HN 47 ILE HA 3.50 (# 2553:25 Unique 2.76, 2.78 A
)
&rst
ixpk= 2553, nxpk= 25, iat= 698, 700, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 57 ILE HN 47 ILE HA 4.50 (# 2554:25 Unique 2.64, 3.16 A
)
&rst
ixpk= 2554, nxpk= 25, iat= 845, 700, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 45 THR HA 47 ILE HB 5.50 (# 2555:25 Unique 4.28, 4.53 A
)
&rst
ixpk= 2555, nxpk= 25, iat= 676, 702, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 47 ILE HA 47 ILE HB 3.50 (# 2556:25 Unique 3.03, 3.04 A
)
&rst
ixpk= 2556, nxpk= 25, iat= 700, 702, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 46 ALA MB 47 ILE HB 4.50 (# 2557:25 Unique 4.75, 5.75 A
)
&rst
ixpk= 2557, nxpk= 25, iat= -1, 702, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 692, 693, 694,
&end
#
# 48 ALA MB 47 ILE HB 4.50 (# 2558:25 Unique 3.91, 4.90 A
)
&rst
ixpk= 2558, nxpk= 25, iat= -1, 702, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 721, 722, 723,
&end
#
# 47 ILE QG2 47 ILE HB 2.80 (# 2559:25 Unique 2.40, 2.66 A
)
&rst
ixpk= 2559, nxpk= 25, iat= -1, 702, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 704, 705, 706,
&end
#
# 57 ILE HG1- 47 ILE HG1- 3.50 (# 2560:25 Unique 2.31, 4.19 A
)
&rst
ixpk= 2560, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 855, 856,
igr2= 708, 709,
&end
#
# 47 ILE HB 47 ILE HG1- 3.50 (# 2561:25 Unique 2.60, 2.85 A
)
&rst
ixpk= 2561, nxpk= 25, iat= 702, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 708, 709,
&end
#
# 47 ILE HA 47 ILE HG1- 4.50 (# 2562:25 Unique 2.27, 2.95 A
)
&rst
ixpk= 2562, nxpk= 25, iat= 700, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 708, 709,
&end
#
# 58 SER HA 47 ILE HG1- 5.50 (# 2563:25 Unique 3.20, 4.01 A
)
&rst
ixpk= 2563, nxpk= 25, iat= 866, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 708, 709,
&end
#
# 47 ILE HN 47 ILE HG1- 4.50 (# 2564:25 Unique 1.88, 2.98 A
)
&rst
ixpk= 2564, nxpk= 25, iat= 698, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 708, 709,
&end
#
# 47 ILE HA 47 ILE QD1 4.50 (# 2565:25 Unique 3.65, 4.54 A
)
&rst
ixpk= 2565, nxpk= 25, iat= 700, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 711, 712, 713,
&end
#
# 47 ILE HN 47 ILE QD1 4.50 (# 2566:25 Unique 1.74, 3.39 A
)
&rst
ixpk= 2566, nxpk= 25, iat= 698, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 711, 712, 713,
&end
#
# 44 PRO HB+ 47 ILE QD1 4.50 (# 2567:25 Unique 3.33, 4.45 A
)
&rst
ixpk= 2567, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 667, 668,
igr2= 711, 712, 713,
&end
#
# 49 MET HN 48 ALA HA 3.50 (# 2568:25 Unique 3.51, 3.54 A
)
&rst
ixpk= 2568, nxpk= 25, iat= 727, 719, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 70 ALA MB 71 ASP HA 4.50 (# 2570:25 Unique 4.18, 5.06 A
)
&rst
ixpk= 2570, nxpk= 25, iat= -1,1044, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1036,1037,1038,
&end
#
# 45 THR MG2 48 ALA MB 4.50 (# 2571:25 Unique 3.13, 4.78 A
)
&rst
ixpk= 2571, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 680, 681, 682,
igr2= 721, 722, 723,
&end
#
# 0 AMB 25-2:2572 48 ALA MB 5.50 (# 2572:25 Single Ambig
)
&rst
ixpk= 2572, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 678,1662,1663, 700,
igr2= 721, 722, 723,
&end
#
# 50 MET HN 49 MET HA 4.50 (# 2574:25 Unique 3.53, 3.58 A
)
&rst
ixpk= 2574, nxpk= 25, iat= 744, 729, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:2575 49 MET HA 5.50 (# 2575:25 Single Ambig
)
&rst
ixpk= 2575, nxpk= 25, iat= -1, 729, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=1685,1686, 721, 722, 723,
&end
#
# 116 ARG HD- 49 MET HB+ 3.50 (# 2576:25 Unique 2.17, 4.65 A
)
&rst
ixpk= 2576, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1742,1743,
igr2= 731, 732,
&end
#
# 116 ARG HD+ 49 MET HB+ 5.50 (# 2577:25 Unique 2.17, 4.65 A
)
&rst
ixpk= 2577, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1742,1743,
igr2= 731, 732,
&end
#
# 46 ALA HA 49 MET HB- 3.50 (# 2578:25 Unique 2.32, 3.59 A
)
&rst
ixpk= 2578, nxpk= 25, iat= 690, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 731, 732,
&end
#
# 46 ALA HA 49 MET HB+ 5.50 (# 2579:25 Unique 2.32, 3.59 A
)
&rst
ixpk= 2579, nxpk= 25, iat= 690, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 731, 732,
&end
#
# 97 GLU HA 97 GLU HB- 3.50 (# 2580:25 Unique 2.57, 2.83 A
)
&rst
ixpk= 2580, nxpk= 25, iat=1435, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1437,1438,
&end
#
# 49 MET HA 49 MET HB+ 3.50 (# 2581:25 Unique 2.30, 2.78 A
)
&rst
ixpk= 2581, nxpk= 25, iat= 729, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 731, 732,
&end
#
# 49 MET HA 49 MET HB- 4.50 (# 2582:25 Unique 2.30, 2.78 A
)
&rst
ixpk= 2582, nxpk= 25, iat= 729, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 731, 732,
&end
#
# 50 MET HN 49 MET HB+ 5.50 (# 2583:25 Unique 2.60, 3.11 A
)
&rst
ixpk= 2583, nxpk= 25, iat= 744, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 731, 732,
&end
#
# 49 MET HN 49 MET HB- 3.50 (# 2584:25 Unique 2.06, 2.96 A
)
&rst
ixpk= 2584, nxpk= 25, iat= 727, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 731, 732,
&end
#
# 49 MET HN 49 MET HB+ 4.50 (# 2585:25 Unique 2.06, 2.96 A
)
&rst
ixpk= 2585, nxpk= 25, iat= 727, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 731, 732,
&end
#
# 112 PHE HD 49 MET HG+ 5.50 (# 2586:25 Unique 2.14, 3.99 A
)
&rst
ixpk= 2586, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1666,1674,
igr2= 734, 735,
&end
#
# 49 MET HA 49 MET HG+ 4.50 (# 2587:25 Unique 2.85, 3.47 A
)
&rst
ixpk= 2587, nxpk= 25, iat= 729, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 734, 735,
&end
#
# 112 PHE HB+ 49 MET HG+ 4.50 (# 2588:25 Unique 2.03, 3.33 A
)
&rst
ixpk= 2588, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1662,1663,
igr2= 734, 735,
&end
#
# 0 AMB 25-2:2589 0 AMB 25-1:2589 5.50 (# 2589:25 Double Ambig
)
&rst
ixpk= 2589, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.06, r4= 9.81,
igr1= 721, 722, 723,1685,1686,
igr2= 734, 735, 734, 735,
&end
#
# 0 AMB 25-2:2590 0 AMB 25-1:2590 4.50 (# 2590:25 Double Ambig
)
&rst
ixpk= 2590, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 744, 814,
igr2= 748, 749, 748, 749,
&end
#
# 118 GLN HA 118 GLN HB- 2.80 (# 2591:25 Unique 2.48, 2.79 A
)
&rst
ixpk= 2591, nxpk= 25, iat=1765, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1767,1768,
&end
#
# 57 ILE QD1 50 MET HB+ 4.50 (# 2592:25 Unique 3.36, 4.96 A
)
&rst
ixpk= 2592, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 858, 859, 860,
igr2= 748, 749,
&end
#
# 55 ILE QG2 50 MET HB- 4.50 (# 2593:25 Unique 2.65, 4.67 A
)
&rst
ixpk= 2593, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 820, 821, 822,
igr2= 748, 749,
&end
#
# 17 MET HA 50 MET HG+ 3.50 (# 2594:25 Unique 3.53, 3.79 A
)
&rst
ixpk= 2594, nxpk= 25, iat= 281, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 751, 752,
&end
#
# 52 GLU HN 51 GLU HA 4.50 (# 2596:25 Unique 3.50, 3.52 A
)
&rst
ixpk= 2596, nxpk= 25, iat= 776, 763, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 53 VAL HN 51 GLU HA 4.50 (# 2597:25 Unique 3.78, 3.87 A
)
&rst
ixpk= 2597, nxpk= 25, iat= 791, 763, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:2598 51 GLU HA 5.50 (# 2598:25 Single Ambig
)
&rst
ixpk= 2598, nxpk= 25, iat= -1, 763, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
igr1= 818, 797, 798, 799, 801, 802, 803,
&end
#
# 52 GLU HN 51 GLU HB- 4.50 (# 2601:25 Unique 3.05, 3.42 A
)
&rst
ixpk= 2601, nxpk= 25, iat= 776, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 765, 766,
&end
#
# 52 GLU HN 51 GLU HB+ 3.50 (# 2602:25 Unique 3.05, 3.42 A
)
&rst
ixpk= 2602, nxpk= 25, iat= 776, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 765, 766,
&end
#
# 47 ILE QG2 51 GLU HG+ 3.50 (# 2604:25 Unique 2.51, 4.31 A
)
&rst
ixpk= 2604, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 704, 705, 706,
igr2= 768, 769,
&end
#
# 95 ILE HG1- 94 GLU HG- 4.50 (# 2605:25 Unique 2.64, 4.44 A
)
&rst
ixpk= 2605, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1404,1405,
igr2=1386,1387,
&end
#
# 95 ILE HG1- 94 GLU HG+ 4.50 (# 2606:25 Unique 2.64, 4.44 A
)
&rst
ixpk= 2606, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1404,1405,
igr2=1386,1387,
&end
#
# 0 AMB 25-2:2608 0 AMB 25-1:2608 4.50 (# 2608:25 Double Ambig
)
&rst
ixpk= 2608, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1394, 807,
igr2=1386,1387, 768, 769,
&end
#
# 66 GLU HN 66 GLU HG+ 3.50 (# 2609:25 Unique 1.92, 2.46 A
)
&rst
ixpk= 2609, nxpk= 25, iat= 969, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 976, 977,
&end
#
# 66 GLU HN 66 GLU HG- 3.50 (# 2610:25 Unique 1.92, 2.46 A
)
&rst
ixpk= 2610, nxpk= 25, iat= 969, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 976, 977,
&end
#
# 54 GLY HN 52 GLU HA 4.50 (# 2611:25 Unique 4.20, 4.33 A
)
&rst
ixpk= 2611, nxpk= 25, iat= 807, 778, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 49 MET HA 52 GLU HB+ 4.50 (# 2612:25 Unique 3.65, 4.49 A
)
&rst
ixpk= 2612, nxpk= 25, iat= 729, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 780, 781,
&end
#
# 49 MET HA 52 GLU HB- 4.50 (# 2613:25 Unique 3.65, 4.49 A
)
&rst
ixpk= 2613, nxpk= 25, iat= 729, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 780, 781,
&end
#
# 53 VAL HN 52 GLU HB+ 4.50 (# 2616:25 Unique 2.63, 3.37 A
)
&rst
ixpk= 2616, nxpk= 25, iat= 791, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 780, 781,
&end
#
# 53 VAL HN 52 GLU HB- 4.50 (# 2617:25 Unique 2.63, 3.37 A
)
&rst
ixpk= 2617, nxpk= 25, iat= 791, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 780, 781,
&end
#
# 49 MET HA 52 GLU HG+ 4.50 (# 2618:25 Unique 2.11, 3.05 A
)
&rst
ixpk= 2618, nxpk= 25, iat= 729, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 783, 784,
&end
#
# 52 GLU HB+ 52 GLU HG+ 2.80 (# 2619:25 Unique 2.31, 2.77 A
)
&rst
ixpk= 2619, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 780, 781,
igr2= 783, 784,
&end
#
# 53 VAL HN 53 VAL HB 4.50 (# 2620:25 Unique 2.45, 2.74 A
)
&rst
ixpk= 2620, nxpk= 25, iat= 791, 795, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 52 GLU HB- 53 VAL MGX 3.50 (# 2622:25 Unique 2.63, 5.42 A
)
&rst
ixpk= 2622, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 780, 781,
igr2= 797, 798, 799, 801, 802, 803,
&end
#
# 116 ARG HD+ 53 VAL MGY 4.50 (# 2623:25 Unique 2.30, 4.71 A
)
&rst
ixpk= 2623, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1742,1743,
igr2= 797, 798, 799, 801, 802, 803,
&end
#
# 84 VAL HN 83 GLY HA+ 3.50 (# 2626:25 Unique 2.64, 3.25 A
)
&rst
ixpk= 2626, nxpk= 25, iat=1216, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1211,1212,
&end
#
# 53 VAL HN 54 GLY HA- 5.50 (# 2627:25 Unique 4.42, 4.72 A
)
&rst
ixpk= 2627, nxpk= 25, iat= 791, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 809, 810,
&end
#
# 55 ILE HG1- 54 GLY HA+ 5.50 (# 2628:25 Unique 3.58, 4.90 A
)
&rst
ixpk= 2628, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 824, 825,
igr2= 809, 810,
&end
#
# 0 AMB 25-2:2629 0 AMB 25-1:2629 5.50 (# 2629:25 Double Ambig
)
&rst
ixpk= 2629, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.58, r4=10.33,
igr1= 797, 798, 799, 801, 802, 803, 818,
igr2= 809, 810, 809, 810,
&end
#
# 55 ILE QD1 55 ILE HA 4.50 (# 2630:25 Unique 4.60, 4.80 A
)
&rst
ixpk= 2630, nxpk= 25, iat= -1, 816, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 827, 828, 829,
&end
#
# 56 ASP HB+ 55 ILE HA 4.50 (# 2631:25 Unique 4.03, 4.45 A
)
&rst
ixpk= 2631, nxpk= 25, iat= -1, 816, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 837, 838,
&end
#
# 55 ILE HN 55 ILE HA 3.50 (# 2632:25 Unique 2.98, 2.99 A
)
&rst
ixpk= 2632, nxpk= 25, iat= 814, 816, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 55 ILE HA 55 ILE HB 4.50 (# 2634:25 Unique 3.02, 3.04 A
)
&rst
ixpk= 2634, nxpk= 25, iat= 816, 818, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 50 MET HB+ 55 ILE HB 4.50 (# 2635:25 Unique 2.21, 3.12 A
)
&rst
ixpk= 2635, nxpk= 25, iat= -1, 818, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 748, 749,
&end
#
# 55 ILE QG2 55 ILE HG1- 3.50 (# 2636:25 Unique 2.48, 3.43 A
)
&rst
ixpk= 2636, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 820, 821, 822,
igr2= 824, 825,
&end
#
# 17 MET HG+ 57 ILE QD1 5.50 (# 2638:25 Unique 2.11, 3.12 A
)
&rst
ixpk= 2638, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 286, 287,
igr2= 858, 859, 860,
&end
#
# 17 MET HA 57 ILE QD1 4.50 (# 2640:25 Unique 2.20, 3.09 A
)
&rst
ixpk= 2640, nxpk= 25, iat= 281, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 858, 859, 860,
&end
#
# 21 PHE HE 55 ILE QD1 4.50 (# 2642:25 Unique 2.31, 5.11 A
)
&rst
ixpk= 2642, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 338, 342,
igr2= 827, 828, 829,
&end
#
# 55 ILE HN 55 ILE QD1 4.50 (# 2643:25 Unique 3.76, 4.49 A
)
&rst
ixpk= 2643, nxpk= 25, iat= 814, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 827, 828, 829,
&end
#
# 0 AMB 25-2:2644 55 ILE QD1 5.50 (# 2644:25 Single Ambig
)
&rst
ixpk= 2644, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 833, 394, 358,
igr2= 827, 828, 829,
&end
#
# 55 ILE HA 56 ASP HB+ 4.50 (# 2648:25 Unique 4.03, 4.45 A
)
&rst
ixpk= 2648, nxpk= 25, iat= 816, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 837, 838,
&end
#
# 60 GLN HE2- 57 ILE HA 5.50 (# 2649:25 Unique 3.64, 4.41 A
)
&rst
ixpk= 2649, nxpk= 25, iat= -1, 847, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 894, 895,
&end
#
# 57 ILE HN 57 ILE HA 3.50 (# 2650:25 Unique 2.89, 2.91 A
)
&rst
ixpk= 2650, nxpk= 25, iat= 845, 847, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 60 GLN HE2+ 57 ILE HB 4.50 (# 2651:25 Unique 4.67, 5.29 A
)
&rst
ixpk= 2651, nxpk= 25, iat= -1, 849, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 894, 895,
&end
#
# 60 GLN HE2- 57 ILE HB 4.50 (# 2652:25 Unique 4.67, 5.29 A
)
&rst
ixpk= 2652, nxpk= 25, iat= -1, 849, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 894, 895,
&end
#
# 57 ILE HG1+ 57 ILE HB 3.50 (# 2653:25 Unique 2.39, 2.73 A
)
&rst
ixpk= 2653, nxpk= 25, iat= -1, 849, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 855, 856,
&end
#
# 57 ILE HN 57 ILE HG1- 4.50 (# 2654:25 Unique 2.64, 3.28 A
)
&rst
ixpk= 2654, nxpk= 25, iat= 845, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 855, 856,
&end
#
# 57 ILE HN 57 ILE HG1+ 4.50 (# 2655:25 Unique 2.64, 3.28 A
)
&rst
ixpk= 2655, nxpk= 25, iat= 845, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 855, 856,
&end
#
# 77 ILE QG2 79 LEU HG 4.50 (# 2658:25 Unique 2.36, 3.29 A
)
&rst
ixpk= 2658, nxpk= 25, iat= -1,1168, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1137,1138,1139,
&end
#
# 0 AMB 25-2:2659 57 ILE QD1 4.50 (# 2659:25 Single Ambig
)
&rst
ixpk= 2659, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 698, 321,
igr2= 858, 859, 860,
&end
#
# 0 AMB 25-2:2660 57 ILE QD1 5.50 (# 2660:25 Single Ambig
)
&rst
ixpk= 2660, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 845, 727,
igr2= 858, 859, 860,
&end
#
# 0 AMB 25-2:2661 57 ILE QD1 5.50 (# 2661:25 Single Ambig
)
&rst
ixpk= 2661, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 894, 895, 328,
igr2= 858, 859, 860,
&end
#
# 60 GLN HE2- 57 ILE QD1 5.50 (# 2662:25 Unique 4.49, 5.60 A
)
&rst
ixpk= 2662, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 894, 895,
igr2= 858, 859, 860,
&end
#
# 57 ILE HA 57 ILE QD1 5.50 (# 2664:25 Unique 4.51, 4.81 A
)
&rst
ixpk= 2664, nxpk= 25, iat= 847, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 858, 859, 860,
&end
#
# 0 AMB 25-2:2665 57 ILE QD1 5.50 (# 2665:25 Single Ambig
)
&rst
ixpk= 2665, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 323, 324, 647, 648,
igr2= 858, 859, 860,
&end
#
# 60 GLN HG+ 57 ILE QD1 4.50 (# 2666:25 Unique 5.71, 6.51 A
)
&rst
ixpk= 2666, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 889, 890,
igr2= 858, 859, 860,
&end
#
# 16 GLN HB- 57 ILE QD1 4.50 (# 2667:25 Unique 2.81, 4.11 A
)
&rst
ixpk= 2667, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 266, 267,
igr2= 858, 859, 860,
&end
#
# 57 ILE HG1- 57 ILE QG2 2.80 (# 2668:25 Unique 2.45, 3.53 A
)
&rst
ixpk= 2668, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 855, 856,
igr2= 851, 852, 853,
&end
#
# 23 LYS HD+ 57 ILE QG2 5.50 (# 2669:25 Unique 5.87, 7.95 A
)
&rst
ixpk= 2669, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 368, 369,
igr2= 851, 852, 853,
&end
#
# 0 AMB 25-2:2670 57 ILE QG2 4.50 (# 2670:25 Single Ambig
)
&rst
ixpk= 2670, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 886, 887, 889, 890,
igr2= 851, 852, 853,
&end
#
# 56 ASP HB- 57 ILE QG2 5.50 (# 2671:25 Unique 6.58, 7.64 A
)
&rst
ixpk= 2671, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 837, 838,
igr2= 851, 852, 853,
&end
#
# 47 ILE HA 57 ILE QG2 5.50 (# 2672:25 Unique 5.45, 5.71 A
)
&rst
ixpk= 2672, nxpk= 25, iat= 700, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 851, 852, 853,
&end
#
# 60 GLN HE2- 57 ILE QG2 4.50 (# 2674:25 Unique 2.22, 3.05 A
)
&rst
ixpk= 2674, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 894, 895,
igr2= 851, 852, 853,
&end
#
# 20 GLY HN 57 ILE QG2 4.50 (# 2675:25 Unique 3.80, 4.88 A
)
&rst
ixpk= 2675, nxpk= 25, iat= 321, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 851, 852, 853,
&end
#
# 60 GLN HE2+ 57 ILE QG2 4.50 (# 2676:25 Unique 2.22, 3.05 A
)
&rst
ixpk= 2676, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 894, 895,
igr2= 851, 852, 853,
&end
#
# 57 ILE HN 57 ILE QG2 4.50 (# 2677:25 Unique 4.59, 4.88 A
)
&rst
ixpk= 2677, nxpk= 25, iat= 845, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 851, 852, 853,
&end
#
# 59 GLY HN 58 SER HA 4.50 (# 2678:25 Unique 3.55, 3.58 A
)
&rst
ixpk= 2678, nxpk= 25, iat= 875, 866, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 60 GLN HN 58 SER HA 5.50 (# 2679:25 Unique 3.67, 4.04 A
)
&rst
ixpk= 2679, nxpk= 25, iat= 882, 866, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:2680 0 AMB 25-1:2680 2.80 (# 2680:25 Double Ambig
)
&rst
ixpk= 2680, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 868, 869, 255, 256,
igr2= 866, 253,
&end
#
# 60 GLN HN 59 GLY HA- 4.50 (# 2683:25 Unique 3.00, 3.35 A
)
&rst
ixpk= 2683, nxpk= 25, iat= 882, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 877, 878,
&end
#
# 60 GLN HN 59 GLY HA+ 4.50 (# 2684:25 Unique 3.00, 3.35 A
)
&rst
ixpk= 2684, nxpk= 25, iat= 882, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 877, 878,
&end
#
# 60 GLN HA 60 GLN HB+ 3.50 (# 2685:25 Unique 2.36, 2.47 A
)
&rst
ixpk= 2685, nxpk= 25, iat= 884, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 886, 887,
&end
#
# 60 GLN HN 60 GLN HB+ 4.50 (# 2686:25 Unique 2.49, 3.33 A
)
&rst
ixpk= 2686, nxpk= 25, iat= 882, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 886, 887,
&end
#
# 60 GLN HN 60 GLN HB- 3.50 (# 2687:25 Unique 2.49, 3.33 A
)
&rst
ixpk= 2687, nxpk= 25, iat= 882, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 886, 887,
&end
#
# 61 THR HN 60 GLN HB+ 3.50 (# 2688:25 Unique 2.28, 3.50 A
)
&rst
ixpk= 2688, nxpk= 25, iat= 899, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 886, 887,
&end
#
# 60 GLN HE2+ 60 GLN HB+ 3.50 (# 2689:25 Unique 2.18, 4.25 A
)
&rst
ixpk= 2689, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 894, 895,
igr2= 886, 887,
&end
#
# 60 GLN HE2+ 60 GLN HB- 3.50 (# 2690:25 Unique 2.18, 4.25 A
)
&rst
ixpk= 2690, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 894, 895,
igr2= 886, 887,
&end
#
# 60 GLN HE2- 60 GLN HB+ 4.50 (# 2691:25 Unique 2.18, 4.25 A
)
&rst
ixpk= 2691, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 894, 895,
igr2= 886, 887,
&end
#
# 60 GLN HE2- 60 GLN HB- 5.50 (# 2692:25 Unique 2.18, 4.25 A
)
&rst
ixpk= 2692, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 894, 895,
igr2= 886, 887,
&end
#
# 66 GLU HA 66 GLU HB+ 2.80 (# 2693:25 Unique 2.40, 2.74 A
)
&rst
ixpk= 2693, nxpk= 25, iat= 971, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 973, 974,
&end
#
# 60 GLN HN 60 GLN HG+ 3.50 (# 2694:25 Unique 2.09, 2.73 A
)
&rst
ixpk= 2694, nxpk= 25, iat= 882, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 889, 890,
&end
#
# 60 GLN HN 60 GLN HG- 4.50 (# 2695:25 Unique 2.09, 2.73 A
)
&rst
ixpk= 2695, nxpk= 25, iat= 882, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 889, 890,
&end
#
# 67 ASN HD2- 67 ASN HB- 4.50 (# 2696:25 Unique 2.24, 3.16 A
)
&rst
ixpk= 2696, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 993, 994,
igr2= 988, 989,
&end
#
# 61 THR HB 61 THR HA 3.50 (# 2697:25 Unique 2.36, 2.46 A
)
&rst
ixpk= 2697, nxpk= 25, iat= 903, 901, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 62 SER HN 61 THR MG2 3.50 (# 2699:25 Unique 3.77, 4.41 A
)
&rst
ixpk= 2699, nxpk= 25, iat= 913, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 905, 906, 907,
&end
#
# 62 SER HN 62 SER HA 4.50 (# 2700:25 Unique 2.90, 2.95 A
)
&rst
ixpk= 2700, nxpk= 25, iat= 913, 915, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 74 ASP HN 74 ASP HA 3.50 (# 2701:25 Unique 2.87, 2.92 A
)
&rst
ixpk= 2701, nxpk= 25, iat=1087,1089, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 94 GLU HN 74 ASP HA 4.50 (# 2702:25 Unique 3.55, 3.79 A
)
&rst
ixpk= 2702, nxpk= 25, iat=1379,1089, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 75 VAL HN 74 ASP HA 4.50 (# 2703:25 Unique 3.53, 3.55 A
)
&rst
ixpk= 2703, nxpk= 25, iat=1099,1089, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 16 GLN HE2+ 62 SER HA 3.50 (# 2704:25 Unique 2.03, 2.54 A
)
&rst
ixpk= 2704, nxpk= 25, iat= -1, 915, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 274, 275,
&end
#
# 62 SER HB+ 62 SER HA 4.50 (# 2706:25 Unique 2.27, 2.47 A
)
&rst
ixpk= 2706, nxpk= 25, iat= -1, 915, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 917, 918,
&end
#
# 0 AMB 25-2:2707 74 ASP HA 3.50 (# 2707:25 Single Ambig
)
&rst
ixpk= 2707, nxpk= 25, iat= -1,1089, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1383,1384,1369,1370,
&end
#
# 0 AMB 25-2:2708 74 ASP HA 3.50 (# 2708:25 Single Ambig
)
&rst
ixpk= 2708, nxpk= 25, iat= -1,1089, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1386,1387,1383,1384,
&end
#
# 75 VAL MGX 74 ASP HA 5.50 (# 2709:25 Unique 4.50, 6.46 A
)
&rst
ixpk= 2709, nxpk= 25, iat= -1,1089, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1105,1106,1107,1109,1110,1111,
&end
#
# 42 VAL MGY 62 SER HB+ 4.50 (# 2710:25 Unique 5.75, 7.68 A
)
&rst
ixpk= 2710, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 633, 634, 635, 637, 638, 639,
igr2= 917, 918,
&end
#
# 104 PRO HG- 112 PHE HA 4.50 (# 2711:25 Unique 3.09, 3.63 A
)
&rst
ixpk= 2711, nxpk= 25, iat= -1,1660, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1551,1552,
&end
#
# 104 PRO HG+ 112 PHE HA 5.50 (# 2712:25 Unique 3.09, 3.63 A
)
&rst
ixpk= 2712, nxpk= 25, iat= -1,1660, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1551,1552,
&end
#
# 107 GLN HG+ 112 PHE HA 5.50 (# 2713:25 Unique 5.33, 5.86 A
)
&rst
ixpk= 2713, nxpk= 25, iat= -1,1660, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1587,1588,
&end
#
# 112 PHE HB+ 112 PHE HA 2.80 (# 2714:25 Unique 2.65, 2.84 A
)
&rst
ixpk= 2714, nxpk= 25, iat= -1,1660, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1662,1663,
&end
#
# 0 AMB 25-2:2715 0 AMB 25-1:2715 4.50 (# 2715:25 Double Ambig
)
&rst
ixpk= 2715, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 901, 594,
igr2= 917, 918, 917, 918,
&end
#
# 0 AMB 25-2:2716 62 SER HB- 5.50 (# 2716:25 Single Ambig
)
&rst
ixpk= 2716, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 901, 594,
igr2= 917, 918,
&end
#
# 62 SER HA 62 SER HB+ 4.50 (# 2719:25 Unique 2.27, 2.47 A
)
&rst
ixpk= 2719, nxpk= 25, iat= 915, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 917, 918,
&end
#
# 62 SER HA 62 SER HB- 3.50 (# 2720:25 Unique 2.27, 2.47 A
)
&rst
ixpk= 2720, nxpk= 25, iat= 915, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 917, 918,
&end
#
# 112 PHE HD 112 PHE HA 3.50 (# 2721:25 Unique 2.74, 3.41 A
)
&rst
ixpk= 2721, nxpk= 25, iat= -1,1660, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1666,1674,
&end
#
# 40 SER HN 62 SER HB- 5.50 (# 2722:25 Unique 2.81, 3.79 A
)
&rst
ixpk= 2722, nxpk= 25, iat= 592, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 917, 918,
&end
#
# 62 SER HN 62 SER HB+ 3.50 (# 2723:25 Unique 2.75, 3.27 A
)
&rst
ixpk= 2723, nxpk= 25, iat= 913, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 917, 918,
&end
#
# 62 SER HN 62 SER HB- 3.50 (# 2724:25 Unique 2.75, 3.27 A
)
&rst
ixpk= 2724, nxpk= 25, iat= 913, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 917, 918,
&end
#
# 63 ASP HN 63 ASP HA 4.50 (# 2725:25 Unique 2.91, 2.94 A
)
&rst
ixpk= 2725, nxpk= 25, iat= 924, 926, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:2728 63 ASP HA 4.50 (# 2728:25 Single Ambig
)
&rst
ixpk= 2728, nxpk= 25, iat= -1, 926, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 585, 586, 917, 918,
&end
#
# 63 ASP HB- 63 ASP HA 3.50 (# 2729:25 Unique 2.62, 2.87 A
)
&rst
ixpk= 2729, nxpk= 25, iat= -1, 926, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 928, 929,
&end
#
# 0 AMB 25-2:2730 63 ASP HA 5.50 (# 2730:25 Single Ambig
)
&rst
ixpk= 2730, nxpk= 25, iat= -1, 926, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 943, 944, 988, 989, 988, 989,
&end
#
# 64 PRO HG+ 63 ASP HA 4.50 (# 2731:25 Unique 4.50, 4.63 A
)
&rst
ixpk= 2731, nxpk= 25, iat= -1, 926, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 940, 941,
&end
#
# 35 CYS HB- 63 ASP HB+ 4.50 (# 2732:25 Unique 4.24, 5.80 A
)
&rst
ixpk= 2732, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 533, 534,
igr2= 928, 929,
&end
#
# 35 CYS HB- 63 ASP HB- 5.50 (# 2733:25 Unique 4.24, 5.80 A
)
&rst
ixpk= 2733, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 533, 534,
igr2= 928, 929,
&end
#
# 0 AMB 25-2:2734 0 AMB 25-1:2734 4.50 (# 2734:25 Double Ambig
)
&rst
ixpk= 2734, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 533, 534, 988, 989,
igr2= 928, 929, 928, 929,
&end
#
# 0 AMB 25-2:2735 63 ASP HB- 4.50 (# 2735:25 Single Ambig
)
&rst
ixpk= 2735, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 533, 534, 988, 989,
igr2= 928, 929,
&end
#
# 64 PRO HD+ 63 ASP HB+ 3.50 (# 2736:25 Unique 3.53, 4.44 A
)
&rst
ixpk= 2736, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 937, 938,
igr2= 928, 929,
&end
#
# 64 PRO HD+ 63 ASP HB- 4.50 (# 2737:25 Unique 3.53, 4.44 A
)
&rst
ixpk= 2737, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 937, 938,
igr2= 928, 929,
&end
#
# 35 CYS HA 63 ASP HB+ 5.50 (# 2738:25 Unique 2.97, 4.20 A
)
&rst
ixpk= 2738, nxpk= 25, iat= 531, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 928, 929,
&end
#
# 35 CYS HA 63 ASP HB- 4.50 (# 2739:25 Unique 2.97, 4.20 A
)
&rst
ixpk= 2739, nxpk= 25, iat= 531, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 928, 929,
&end
#
# 63 ASP HA 63 ASP HB- 4.50 (# 2740:25 Unique 2.62, 2.87 A
)
&rst
ixpk= 2740, nxpk= 25, iat= 926, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 928, 929,
&end
#
# 63 ASP HN 63 ASP HB+ 5.50 (# 2741:25 Unique 2.79, 3.03 A
)
&rst
ixpk= 2741, nxpk= 25, iat= 924, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 928, 929,
&end
#
# 63 ASP HN 63 ASP HB- 4.50 (# 2742:25 Unique 2.79, 3.03 A
)
&rst
ixpk= 2742, nxpk= 25, iat= 924, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 928, 929,
&end
#
# 65 ILE HA 64 PRO HA 4.50 (# 2743:25 Unique 4.42, 4.46 A
)
&rst
ixpk= 2743, nxpk= 25, iat= 952, 946, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 64 PRO HD+ 64 PRO HA 5.50 (# 2744:25 Unique 3.52, 3.86 A
)
&rst
ixpk= 2744, nxpk= 25, iat= -1, 946, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 937, 938,
&end
#
# 39 SER HB- 64 PRO HA 4.50 (# 2745:25 Unique 2.27, 3.57 A
)
&rst
ixpk= 2745, nxpk= 25, iat= -1, 946, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 585, 586,
&end
#
# 65 ILE HB 64 PRO HA 4.50 (# 2746:25 Unique 4.33, 4.43 A
)
&rst
ixpk= 2746, nxpk= 25, iat= 954, 946, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 65 ILE QG2 64 PRO HA 4.50 (# 2747:25 Unique 4.11, 5.30 A
)
&rst
ixpk= 2747, nxpk= 25, iat= -1, 946, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 956, 957, 958,
&end
#
# 64 PRO HD+ 64 PRO HB- 3.50 (# 2749:25 Unique 2.86, 3.70 A
)
&rst
ixpk= 2749, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 937, 938,
igr2= 943, 944,
&end
#
# 0 AMB 25-2:2750 0 AMB 25-1:2750 5.50 (# 2750:25 Double Ambig
)
&rst
ixpk= 2750, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 969,1732,
igr2= 940, 941,1739,1740,
&end
#
# 67 ASN HD2- 64 PRO HG+ 5.50 (# 2751:25 Unique 2.57, 5.65 A
)
&rst
ixpk= 2751, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 993, 994,
igr2= 940, 941,
&end
#
# 63 ASP HA 64 PRO HG+ 5.50 (# 2752:25 Unique 4.50, 4.63 A
)
&rst
ixpk= 2752, nxpk= 25, iat= 926, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 940, 941,
&end
#
# 64 PRO HA 64 PRO HG+ 5.50 (# 2753:25 Unique 3.83, 3.98 A
)
&rst
ixpk= 2753, nxpk= 25, iat= 946, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 940, 941,
&end
#
# 65 ILE QD1 88 PRO HD+ 4.50 (# 2754:25 Unique 3.37, 5.21 A
)
&rst
ixpk= 2754, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 963, 964, 965,
igr2=1280,1281,
&end
#
# 86 LEU HB- 88 PRO HD+ 3.50 (# 2755:25 Unique 2.01, 3.69 A
)
&rst
ixpk= 2755, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1250,1251,
igr2=1280,1281,
&end
#
# 86 LEU HB+ 88 PRO HD+ 4.50 (# 2756:25 Unique 2.01, 3.69 A
)
&rst
ixpk= 2756, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1250,1251,
igr2=1280,1281,
&end
#
# 63 ASP HB- 64 PRO HD+ 4.50 (# 2757:25 Unique 3.53, 4.44 A
)
&rst
ixpk= 2757, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 928, 929,
igr2= 937, 938,
&end
#
# 63 ASP HB+ 64 PRO HD+ 3.50 (# 2758:25 Unique 3.53, 4.44 A
)
&rst
ixpk= 2758, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 928, 929,
igr2= 937, 938,
&end
#
# 39 SER HB- 64 PRO HD+ 3.50 (# 2759:25 Unique 2.42, 4.14 A
)
&rst
ixpk= 2759, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 585, 586,
igr2= 937, 938,
&end
#
# 67 ASN HD2- 64 PRO HD+ 4.50 (# 2760:25 Unique 3.04, 5.05 A
)
&rst
ixpk= 2760, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 993, 994,
igr2= 937, 938,
&end
#
# 67 ASN HD2+ 64 PRO HD+ 3.50 (# 2761:25 Unique 3.04, 5.05 A
)
&rst
ixpk= 2761, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 993, 994,
igr2= 937, 938,
&end
#
# 68 PHE HN 65 ILE HA 5.50 (# 2762:25 Unique 3.79, 4.09 A
)
&rst
ixpk= 2762, nxpk= 25, iat= 998, 952, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 67 ASN HN 65 ILE HA 5.50 (# 2763:25 Unique 3.65, 3.83 A
)
&rst
ixpk= 2763, nxpk= 25, iat= 984, 952, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:2765 65 ILE HA 4.50 (# 2765:25 Single Ambig
)
&rst
ixpk= 2765, nxpk= 25, iat= -1, 952, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 946,1000,
&end
#
# 68 PHE HB+ 65 ILE HA 5.50 (# 2766:25 Unique 3.83, 5.15 A
)
&rst
ixpk= 2766, nxpk= 25, iat= -1, 952, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1002,1003,
&end
#
# 68 PHE HB- 65 ILE HA 5.50 (# 2767:25 Unique 3.83, 5.15 A
)
&rst
ixpk= 2767, nxpk= 25, iat= -1, 952, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1002,1003,
&end
#
# 65 ILE HG1+ 65 ILE HB 3.50 (# 2770:25 Unique 2.38, 2.72 A
)
&rst
ixpk= 2770, nxpk= 25, iat= -1, 954, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 960, 961,
&end
#
# 35 CYS HB- 65 ILE HB 4.50 (# 2771:25 Unique 2.46, 3.57 A
)
&rst
ixpk= 2771, nxpk= 25, iat= -1, 954, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 533, 534,
&end
#
# 64 PRO HA 65 ILE HB 4.50 (# 2772:25 Unique 4.33, 4.43 A
)
&rst
ixpk= 2772, nxpk= 25, iat= 946, 954, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:2773 65 ILE HB 5.50 (# 2773:25 Single Ambig
)
&rst
ixpk= 2773, nxpk= 25, iat= -1, 954, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1006,1014,1321,
&end
#
# 90 TRP HE1 65 ILE HG1- 5.50 (# 2774:25 Unique 1.69, 2.54 A
)
&rst
ixpk= 2774, nxpk= 25, iat=1318, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 960, 961,
&end
#
# 90 TRP HE1 65 ILE HG1+ 4.50 (# 2775:25 Unique 1.69, 2.54 A
)
&rst
ixpk= 2775, nxpk= 25, iat=1318, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 960, 961,
&end
#
# 0 AMB 25-2:2776 0 AMB 25-1:2776 5.50 (# 2776:25 Double Ambig
)
&rst
ixpk= 2776, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1321,1006,1014,
igr2= 960, 961, 960, 961,
&end
#
# 0 AMB 25-2:2777 65 ILE HG1- 5.50 (# 2777:25 Single Ambig
)
&rst
ixpk= 2777, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1321,1006,1014,
igr2= 960, 961,
&end
#
# 65 ILE HA 65 ILE HG1+ 4.50 (# 2778:25 Unique 2.19, 2.58 A
)
&rst
ixpk= 2778, nxpk= 25, iat= 952, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 960, 961,
&end
#
# 65 ILE HB 65 ILE HG1+ 3.50 (# 2779:25 Unique 2.38, 2.72 A
)
&rst
ixpk= 2779, nxpk= 25, iat= 954, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 960, 961,
&end
#
# 7 VAL MGX 65 ILE QD1 3.50 (# 2780:25 Unique 2.23, 4.14 A
)
&rst
ixpk= 2780, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 124, 125, 126, 128, 129, 130,
igr2= 963, 964, 965,
&end
#
# 88 PRO HB+ 65 ILE QD1 4.50 (# 2781:25 Unique 4.17, 5.76 A
)
&rst
ixpk= 2781, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1286,1287,
igr2= 963, 964, 965,
&end
#
# 0 AMB 25-2:2782 65 ILE QD1 4.50 (# 2782:25 Single Ambig
)
&rst
ixpk= 2782, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1312,1313,1280,1281,
igr2= 963, 964, 965,
&end
#
# 88 PRO HD+ 65 ILE QD1 5.50 (# 2783:25 Unique 3.37, 5.21 A
)
&rst
ixpk= 2783, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1280,1281,
igr2= 963, 964, 965,
&end
#
# 0 AMB 25-2:2784 65 ILE QD1 4.50 (# 2784:25 Single Ambig
)
&rst
ixpk= 2784, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 952,1310,
igr2= 963, 964, 965,
&end
#
# 86 LEU HA 65 ILE QD1 5.50 (# 2785:25 Unique 4.70, 6.12 A
)
&rst
ixpk= 2785, nxpk= 25, iat=1248, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 963, 964, 965,
&end
#
# 90 TRP HD1 65 ILE QD1 5.50 (# 2786:25 Unique 2.11, 3.44 A
)
&rst
ixpk= 2786, nxpk= 25, iat=1316, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 963, 964, 965,
&end
#
# 65 ILE HN 65 ILE QD1 5.50 (# 2787:25 Unique 4.49, 5.21 A
)
&rst
ixpk= 2787, nxpk= 25, iat= 950, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 963, 964, 965,
&end
#
# 90 TRP HE1 65 ILE QD1 4.50 (# 2788:25 Unique 2.32, 3.65 A
)
&rst
ixpk= 2788, nxpk= 25, iat=1318, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 963, 964, 965,
&end
#
# 64 PRO HA 65 ILE QG2 5.50 (# 2789:25 Unique 4.11, 5.30 A
)
&rst
ixpk= 2789, nxpk= 25, iat= 946, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 956, 957, 958,
&end
#
# 66 GLU HA 65 ILE QG2 4.50 (# 2790:25 Unique 3.05, 4.18 A
)
&rst
ixpk= 2790, nxpk= 25, iat= 971, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 956, 957, 958,
&end
#
# 66 GLU HG- 65 ILE QG2 3.50 (# 2791:25 Unique 2.56, 3.65 A
)
&rst
ixpk= 2791, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 976, 977,
igr2= 956, 957, 958,
&end
#
# 0 AMB 25-2:2792 65 ILE QG2 3.50 (# 2792:25 Single Ambig
)
&rst
ixpk= 2792, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 943, 944, 973, 974,
igr2= 956, 957, 958,
&end
#
# 0 AMB 25-2:2793 65 ILE QG2 4.50 (# 2793:25 Single Ambig
)
&rst
ixpk= 2793, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 554, 551, 552,
igr2= 956, 957, 958,
&end
#
# 68 PHE HN 66 GLU HA 4.50 (# 2794:25 Unique 3.98, 4.14 A
)
&rst
ixpk= 2794, nxpk= 25, iat= 998, 971, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 67 ASN HN 66 GLU HB+ 5.50 (# 2795:25 Unique 2.99, 3.66 A
)
&rst
ixpk= 2795, nxpk= 25, iat= 984, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 973, 974,
&end
#
# 0 AMB 25-2:2796 0 AMB 25-1:2796 2.80 (# 2796:25 Double Ambig
)
&rst
ixpk= 2796, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 976, 977, 943, 944,
igr2= 973, 974, 973, 974,
&end
#
# 65 ILE QG2 66 GLU HB+ 4.50 (# 2797:25 Unique 4.61, 5.49 A
)
&rst
ixpk= 2797, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 956, 957, 958,
igr2= 973, 974,
&end
#
# 66 GLU HB+ 67 ASN HA 4.50 (# 2798:25 Unique 4.08, 4.44 A
)
&rst
ixpk= 2798, nxpk= 25, iat= -1, 986, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 973, 974,
&end
#
# 67 ASN HD2- 67 ASN HA 5.50 (# 2799:25 Unique 4.19, 4.63 A
)
&rst
ixpk= 2799, nxpk= 25, iat= -1, 986, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 993, 994,
&end
#
# 67 ASN HD2+ 67 ASN HA 4.50 (# 2800:25 Unique 4.19, 4.63 A
)
&rst
ixpk= 2800, nxpk= 25, iat= -1, 986, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 993, 994,
&end
#
# 68 PHE HN 67 ASN HA 4.50 (# 2801:25 Unique 3.35, 3.50 A
)
&rst
ixpk= 2801, nxpk= 25, iat= 998, 986, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 67 ASN HD2- 67 ASN HB+ 4.50 (# 2802:25 Unique 2.24, 3.16 A
)
&rst
ixpk= 2802, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 993, 994,
igr2= 988, 989,
&end
#
# 68 PHE HN 68 PHE HA 4.50 (# 2803:25 Unique 2.93, 2.98 A
)
&rst
ixpk= 2803, nxpk= 25, iat= 998,1000, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 69 ASN HN 68 PHE HB- 4.50 (# 2804:25 Unique 1.90, 2.53 A
)
&rst
ixpk= 2804, nxpk= 25, iat=1018, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1002,1003,
&end
#
# 68 PHE HN 68 PHE HB+ 4.50 (# 2805:25 Unique 2.44, 3.12 A
)
&rst
ixpk= 2805, nxpk= 25, iat= 998, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1002,1003,
&end
#
# 68 PHE HN 68 PHE HB- 3.50 (# 2806:25 Unique 2.44, 3.12 A
)
&rst
ixpk= 2806, nxpk= 25, iat= 998, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1002,1003,
&end
#
# 69 ASN HD2+ 68 PHE HB+ 3.50 (# 2807:25 Unique 3.78, 5.02 A
)
&rst
ixpk= 2807, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1027,1028,
igr2=1002,1003,
&end
#
# 73 TYR HE 68 PHE HB+ 3.50 (# 2808:25 Unique 2.09, 4.60 A
)
&rst
ixpk= 2808, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1076,1081,
igr2=1002,1003,
&end
#
# 73 TYR HE 68 PHE HB- 3.50 (# 2809:25 Unique 2.09, 4.60 A
)
&rst
ixpk= 2809, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1076,1081,
igr2=1002,1003,
&end
#
# 68 PHE HA 68 PHE HB- 3.50 (# 2810:25 Unique 2.39, 2.73 A
)
&rst
ixpk= 2810, nxpk= 25, iat=1000, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1002,1003,
&end
#
# 5 MET ME 68 PHE HB+ 4.50 (# 2812:25 Unique 2.20, 3.53 A
)
&rst
ixpk= 2812, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 92, 93, 94,
igr2=1002,1003,
&end
#
# 5 MET ME 68 PHE HB- 4.50 (# 2813:25 Unique 2.20, 3.53 A
)
&rst
ixpk= 2813, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 92, 93, 94,
igr2=1002,1003,
&end
#
# 70 ALA HA 69 ASN HA 5.50 (# 2814:25 Unique 4.33, 4.39 A
)
&rst
ixpk= 2814, nxpk= 25, iat=1034,1020, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:2815 69 ASN HA 3.50 (# 2815:25 Single Ambig
)
&rst
ixpk= 2815, nxpk= 25, iat= -1,1020, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1321,1042,
&end
#
# 70 ALA HN 69 ASN HB+ 5.50 (# 2816:25 Unique 2.86, 3.78 A
)
&rst
ixpk= 2816, nxpk= 25, iat=1032, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1022,1023,
&end
#
# 70 ALA HN 69 ASN HB- 4.50 (# 2817:25 Unique 2.86, 3.78 A
)
&rst
ixpk= 2817, nxpk= 25, iat=1032, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1022,1023,
&end
#
# 5 MET ME 70 ALA HA 5.50 (# 2818:25 Unique 3.96, 4.99 A
)
&rst
ixpk= 2818, nxpk= 25, iat= -1,1034, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 92, 93, 94,
&end
#
# 76 VAL MGX 70 ALA HA 5.50 (# 2819:25 Unique 3.74, 5.50 A
)
&rst
ixpk= 2819, nxpk= 25, iat= -1,1034, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1121,1122,1123,1125,1126,1127,
&end
#
# 73 TYR HB- 70 ALA HA 4.50 (# 2820:25 Unique 2.26, 3.45 A
)
&rst
ixpk= 2820, nxpk= 25, iat= -1,1034, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1070,1071,
&end
#
# 73 TYR HB+ 70 ALA HA 5.50 (# 2821:25 Unique 2.26, 3.45 A
)
&rst
ixpk= 2821, nxpk= 25, iat= -1,1034, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1070,1071,
&end
#
# 69 ASN HA 70 ALA HA 4.50 (# 2823:25 Unique 4.33, 4.39 A
)
&rst
ixpk= 2823, nxpk= 25, iat=1020,1034, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 73 TYR HE 70 ALA HA 4.50 (# 2825:25 Unique 3.95, 5.53 A
)
&rst
ixpk= 2825, nxpk= 25, iat= -1,1034, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1076,1081,
&end
#
# 90 TRP HE1 70 ALA MB 5.50 (# 2826:25 Unique 3.79, 5.48 A
)
&rst
ixpk= 2826, nxpk= 25, iat=1318, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1036,1037,1038,
&end
#
# 90 TRP HN 70 ALA MB 5.50 (# 2827:25 Unique 3.12, 4.16 A
)
&rst
ixpk= 2827, nxpk= 25, iat=1308, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1036,1037,1038,
&end
#
# 0 AMB 25-2:2828 70 ALA MB 4.50 (# 2828:25 Single Ambig
)
&rst
ixpk= 2828, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1066,1054,
igr2=1036,1037,1038,
&end
#
# 93 GLN HE2- 70 ALA MB 4.50 (# 2829:25 Unique 2.64, 4.00 A
)
&rst
ixpk= 2829, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1374,1375,
igr2=1036,1037,1038,
&end
#
# 73 TYR HD 70 ALA MB 5.50 (# 2830:25 Unique 4.22, 6.25 A
)
&rst
ixpk= 2830, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1074,1083,
igr2=1036,1037,1038,
&end
#
# 93 GLN HE2+ 70 ALA MB 4.50 (# 2831:25 Unique 2.64, 4.00 A
)
&rst
ixpk= 2831, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1374,1375,
igr2=1036,1037,1038,
&end
#
# 69 ASN HA 70 ALA MB 5.50 (# 2832:25 Unique 4.29, 5.03 A
)
&rst
ixpk= 2832, nxpk= 25, iat=1020, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1036,1037,1038,
&end
#
# 90 TRP HB+ 70 ALA MB 5.50 (# 2833:25 Unique 2.98, 4.56 A
)
&rst
ixpk= 2833, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1312,1313,
igr2=1036,1037,1038,
&end
#
# 0 AMB 25-2:2834 70 ALA MB 5.50 (# 2834:25 Single Ambig
)
&rst
ixpk= 2834, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1070,1071,1366,1367,
igr2=1036,1037,1038,
&end
#
# 93 GLN HG+ 70 ALA MB 4.50 (# 2835:25 Unique 2.17, 3.60 A
)
&rst
ixpk= 2835, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1369,1370,
igr2=1036,1037,1038,
&end
#
# 0 AMB 25-2:2836 70 ALA MB 5.50 (# 2836:25 Single Ambig
)
&rst
ixpk= 2836, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.64, r4= 9.39,
igr1=1119,1286,1287,1046,1047,
igr2=1036,1037,1038,
&end
#
# 72 ASP HN 71 ASP HB+ 4.50 (# 2837:25 Unique 3.21, 3.83 A
)
&rst
ixpk= 2837, nxpk= 25, iat=1054, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1046,1047,
&end
#
# 72 ASP HN 71 ASP HB- 4.50 (# 2838:25 Unique 3.21, 3.83 A
)
&rst
ixpk= 2838, nxpk= 25, iat=1054, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1046,1047,
&end
#
# 69 ASN HD2+ 71 ASP HB- 4.50 (# 2839:25 Unique 3.58, 5.02 A
)
&rst
ixpk= 2839, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1027,1028,
igr2=1046,1047,
&end
#
# 69 ASN HD2+ 71 ASP HB+ 4.50 (# 2840:25 Unique 3.58, 5.02 A
)
&rst
ixpk= 2840, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1027,1028,
igr2=1046,1047,
&end
#
# 70 ALA MB 71 ASP HB- 5.50 (# 2841:25 Unique 4.51, 6.04 A
)
&rst
ixpk= 2841, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1036,1037,1038,
igr2=1046,1047,
&end
#
# 0 AMB 25-2:2842 72 ASP HB- 3.50 (# 2842:25 Single Ambig
)
&rst
ixpk= 2842, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1027,1028,1074,1083,
igr2=1058,1059,
&end
#
# 0 AMB 25-2:2843 0 AMB 25-1:2843 5.50 (# 2843:25 Double Ambig
)
&rst
ixpk= 2843, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 53, 54, 88, 89, 53, 54,
igr2=1058,1059,1070,1071,
&end
#
# 3 LYS HD+ 72 ASP HB- 5.50 (# 2844:25 Unique 3.91, 4.99 A
)
&rst
ixpk= 2844, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 53, 54,
igr2=1058,1059,
&end
#
# 76 VAL MGX 73 TYR HB- 4.50 (# 2845:25 Unique 2.46, 4.79 A
)
&rst
ixpk= 2845, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1121,1122,1123,1125,1126,1127,
igr2=1070,1071,
&end
#
# 70 ALA MB 89 GLU HA 5.50 (# 2846:25 Unique 4.64, 5.95 A
)
&rst
ixpk= 2846, nxpk= 25, iat= -1,1295, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1036,1037,1038,
&end
#
# 73 TYR HB- 73 TYR HA 2.80 (# 2847:25 Unique 2.48, 2.75 A
)
&rst
ixpk= 2847, nxpk= 25, iat= -1,1068, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1070,1071,
&end
#
# 74 ASP HA 73 TYR HA 4.50 (# 2848:25 Unique 4.39, 4.43 A
)
&rst
ixpk= 2848, nxpk= 25, iat=1089,1068, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 3 LYS HN 73 TYR HA 5.50 (# 2849:25 Unique 3.87, 4.05 A
)
&rst
ixpk= 2849, nxpk= 25, iat= 43,1068, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 75 VAL HN 73 TYR HB+ 4.50 (# 2850:25 Unique 3.01, 3.96 A
)
&rst
ixpk= 2850, nxpk= 25, iat=1099, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1070,1071,
&end
#
# 75 VAL HN 73 TYR HB- 5.50 (# 2851:25 Unique 3.01, 3.96 A
)
&rst
ixpk= 2851, nxpk= 25, iat=1099, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1070,1071,
&end
#
# 74 ASP HN 73 TYR HB- 5.50 (# 2852:25 Unique 2.89, 3.86 A
)
&rst
ixpk= 2852, nxpk= 25, iat=1087, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1070,1071,
&end
#
# 0 AMB 25-2:2853 74 ASP HA 4.50 (# 2853:25 Single Ambig
)
&rst
ixpk= 2853, nxpk= 25, iat= -1,1089, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 31, 32, 53, 54, 28, 29,
&end
#
# 0 AMB 25-2:2854 74 ASP HA 4.50 (# 2854:25 Single Ambig
)
&rst
ixpk= 2854, nxpk= 25, iat= -1,1089, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 47, 48,1398,
&end
#
# 0 AMB 25-2:2855 0 AMB 25-1:2855 4.50 (# 2855:25 Double Ambig
)
&rst
ixpk= 2855, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 47, 48, 47, 48,
igr2=1091,1092,1091,1092,
&end
#
# 0 AMB 25-2:2856 74 ASP HB- 3.50 (# 2856:25 Single Ambig
)
&rst
ixpk= 2856, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 25, 26, 47, 48,
igr2=1091,1092,
&end
#
# 0 AMB 25-2:2857 116 ARG HD- 3.50 (# 2857:25 Single Ambig
)
&rst
ixpk= 2857, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1739,1740,1736,1737,
igr2=1742,1743,
&end
#
# 49 MET HB+ 116 ARG HD- 4.50 (# 2858:25 Unique 2.17, 4.65 A
)
&rst
ixpk= 2858, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 731, 732,
igr2=1742,1743,
&end
#
# 1 MET HG- 74 ASP HB+ 5.50 (# 2859:25 Unique 6.26, 7.07 A
)
&rst
ixpk= 2859, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 11, 12,
igr2=1091,1092,
&end
#
# 0 AMB 25-2:2860 74 ASP HB- 5.50 (# 2860:25 Single Ambig
)
&rst
ixpk= 2860, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1383,1384, 11, 12,
igr2=1091,1092,
&end
#
# 94 GLU HB+ 74 ASP HB+ 4.50 (# 2861:25 Unique 4.55, 5.30 A
)
&rst
ixpk= 2861, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1383,1384,
igr2=1091,1092,
&end
#
# 2 LYS HA 74 ASP HB+ 4.50 (# 2862:25 Unique 2.24, 2.88 A
)
&rst
ixpk= 2862, nxpk= 25, iat= 23, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1091,1092,
&end
#
# 2 LYS HA 74 ASP HB- 4.50 (# 2863:25 Unique 2.24, 2.88 A
)
&rst
ixpk= 2863, nxpk= 25, iat= 23, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1091,1092,
&end
#
# 75 VAL HN 74 ASP HB+ 4.50 (# 2864:25 Unique 2.43, 3.26 A
)
&rst
ixpk= 2864, nxpk= 25, iat=1099, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1091,1092,
&end
#
# 75 VAL HN 74 ASP HB- 3.50 (# 2865:25 Unique 2.43, 3.26 A
)
&rst
ixpk= 2865, nxpk= 25, iat=1099, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1091,1092,
&end
#
# 3 LYS HN 74 ASP HB+ 4.50 (# 2866:25 Unique 2.12, 2.65 A
)
&rst
ixpk= 2866, nxpk= 25, iat= 43, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1091,1092,
&end
#
# 0 AMB 25-2:2867 75 VAL HA 5.50 (# 2867:25 Single Ambig
)
&rst
ixpk= 2867, nxpk= 25, iat= -1,1101, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1366,1367,1091,1092,
&end
#
# 76 VAL HB 75 VAL HA 5.50 (# 2868:25 Unique 4.46, 4.63 A
)
&rst
ixpk= 2868, nxpk= 25, iat=1119,1101, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:2869 75 VAL HA 4.50 (# 2869:25 Single Ambig
)
&rst
ixpk= 2869, nxpk= 25, iat= -1,1101, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1404,1405, 31, 32,
&end
#
# 0 AMB 25-2:2870 75 VAL HA 5.50 (# 2870:25 Single Ambig
)
&rst
ixpk= 2870, nxpk= 25, iat= -1,1101, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1121,1122,1123,1125,1126,1127,1404,1405,
&end
#
# 0 AMB 25-2:2871 75 VAL HA 5.50 (# 2871:25 Single Ambig
)
&rst
ixpk= 2871, nxpk= 25, iat= -1,1101, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1911,1912,1913,1915,1916,1917,1911,1912,1913,1915,
1916,1917,
&end
#
# 76 VAL MGY 76 VAL HB 2.80 (# 2873:25 Unique 2.21, 2.62 A
)
&rst
ixpk= 2873, nxpk= 25, iat= -1,1119, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1121,1122,1123,1125,1126,1127,
&end
#
# 76 VAL MGX 76 VAL HB 2.80 (# 2874:25 Unique 2.21, 2.62 A
)
&rst
ixpk= 2874, nxpk= 25, iat= -1,1119, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1121,1122,1123,1125,1126,1127,
&end
#
# 96 PHE HA 76 VAL HB 5.50 (# 2875:25 Unique 3.98, 4.59 A
)
&rst
ixpk= 2875, nxpk= 25, iat=1415,1119, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 5 MET HN 76 VAL MGX 5.50 (# 2876:25 Unique 3.80, 5.13 A
)
&rst
ixpk= 2876, nxpk= 25, iat= 81, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1121,1122,1123,1125,1126,1127,
&end
#
# 0 AMB 25-2:2877 76 VAL MGX 5.50 (# 2877:25 Single Ambig
)
&rst
ixpk= 2877, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1362,1099,
igr2=1121,1122,1123,1125,1126,1127,
&end
#
# 96 PHE HD 76 VAL MGX 4.50 (# 2878:25 Unique 2.15, 6.67 A
)
&rst
ixpk= 2878, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1421,1429,
igr2=1121,1122,1123,1125,1126,1127,
&end
#
# 0 AMB 25-2:2879 76 VAL MGX 5.50 (# 2879:25 Single Ambig
)
&rst
ixpk= 2879, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1074,1083,1348,1332,
igr2=1121,1122,1123,1125,1126,1127,
&end
#
# 0 AMB 25-2:2881 76 VAL MGX 5.50 (# 2881:25 Single Ambig
)
&rst
ixpk= 2881, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 83, 67,1089,
igr2=1121,1122,1123,1125,1126,1127,
&end
#
# 90 TRP HA 76 VAL MGX 4.50 (# 2882:25 Unique 2.50, 4.16 A
)
&rst
ixpk= 2882, nxpk= 25, iat=1310, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1121,1122,1123,1125,1126,1127,
&end
#
# 90 TRP HB+ 76 VAL MGX 5.50 (# 2883:25 Unique 2.08, 4.33 A
)
&rst
ixpk= 2883, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1312,1313,
igr2=1121,1122,1123,1125,1126,1127,
&end
#
# 90 TRP HB- 76 VAL MGX 5.50 (# 2884:25 Unique 2.08, 4.33 A
)
&rst
ixpk= 2884, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1312,1313,
igr2=1121,1122,1123,1125,1126,1127,
&end
#
# 73 TYR HB+ 76 VAL MGX 4.50 (# 2885:25 Unique 2.46, 4.79 A
)
&rst
ixpk= 2885, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1070,1071,
igr2=1121,1122,1123,1125,1126,1127,
&end
#
# 93 GLN HG- 76 VAL MGX 3.50 (# 2886:25 Unique 2.39, 4.60 A
)
&rst
ixpk= 2886, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1369,1370,
igr2=1121,1122,1123,1125,1126,1127,
&end
#
# 90 TRP HB- 76 VAL MGY 4.50 (# 2887:25 Unique 2.08, 4.33 A
)
&rst
ixpk= 2887, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1312,1313,
igr2=1121,1122,1123,1125,1126,1127,
&end
#
# 77 ILE HG1+ 77 ILE HA 4.50 (# 2889:25 Unique 3.12, 3.49 A
)
&rst
ixpk= 2889, nxpk= 25, iat= -1,1133, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1141,1142,
&end
#
# 0 AMB 25-2:2890 77 ILE HA 3.50 (# 2890:25 Single Ambig
)
&rst
ixpk= 2890, nxpk= 25, iat= -1,1133, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1141,1142,1105,1106,1107,1109,1110,1111,
&end
#
# 7 VAL HN 77 ILE HB 5.50 (# 2891:25 Unique 3.66, 4.02 A
)
&rst
ixpk= 2891, nxpk= 25, iat= 118,1135, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 77 ILE HA 77 ILE HB 4.50 (# 2893:25 Unique 3.05, 3.06 A
)
&rst
ixpk= 2893, nxpk= 25, iat=1133,1135, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:2894 77 ILE HB 3.50 (# 2894:25 Single Ambig
)
&rst
ixpk= 2894, nxpk= 25, iat= -1,1135, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1144,1145,1146, 124, 125, 126, 128, 129, 130,
&end
#
# 0 AMB 25-2:2895 77 ILE HB 4.50 (# 2895:25 Single Ambig
)
&rst
ixpk= 2895, nxpk= 25, iat= -1,1135, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1170,1171,1172,1174,1175,1176,1105,1106,1107,1109,
1110,1111,
&end
#
# 0 AMB 25-2:2896 77 ILE HG1- 3.50 (# 2896:25 Single Ambig
)
&rst
ixpk= 2896, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1911,1912,1913,1915,1916,1917,1911,1912,1913,1915,
1916,1917,
igr2=1141,1142,
&end
#
# 0 AMB 25-2:2897 0 AMB 25-1:2897 3.50 (# 2897:25 Double Ambig
)
&rst
ixpk= 2897, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1=1911,1912,1913,1915,1916,1917,1911,1912,1913,1915,
1916,1917,
igr2=1141,1142,1141,1142,
&end
#
# 77 ILE HB 77 ILE HG1+ 4.50 (# 2898:25 Unique 2.31, 2.43 A
)
&rst
ixpk= 2898, nxpk= 25, iat=1135, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1141,1142,
&end
#
# 77 ILE HN 77 ILE HG1- 4.50 (# 2899:25 Unique 2.47, 3.29 A
)
&rst
ixpk= 2899, nxpk= 25, iat=1131, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1141,1142,
&end
#
# 77 ILE HN 77 ILE HG1+ 5.50 (# 2900:25 Unique 2.47, 3.29 A
)
&rst
ixpk= 2900, nxpk= 25, iat=1131, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1141,1142,
&end
#
# 6 PHE HE 77 ILE HG1- 4.50 (# 2901:25 Unique 2.77, 5.08 A
)
&rst
ixpk= 2901, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 108, 112,
igr2=1141,1142,
&end
#
# 6 PHE HE 77 ILE HG1+ 5.50 (# 2902:25 Unique 2.77, 5.08 A
)
&rst
ixpk= 2902, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 108, 112,
igr2=1141,1142,
&end
#
# 99 TRP HE1 77 ILE QD1 4.50 (# 2903:25 Unique 2.16, 3.70 A
)
&rst
ixpk= 2903, nxpk= 25, iat=1470, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1144,1145,1146,
&end
#
# 78 SER HN 77 ILE QD1 5.50 (# 2904:25 Unique 3.88, 4.72 A
)
&rst
ixpk= 2904, nxpk= 25, iat=1150, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1144,1145,1146,
&end
#
# 0 AMB 25-2:2905 77 ILE QD1 4.50 (# 2905:25 Single Ambig
)
&rst
ixpk= 2905, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1131,1115,
igr2=1144,1145,1146,
&end
#
# 6 PHE HE 77 ILE QD1 5.50 (# 2906:25 Unique 4.92, 7.17 A
)
&rst
ixpk= 2906, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 108, 112,
igr2=1144,1145,1146,
&end
#
# 97 GLU HG- 77 ILE QD1 4.50 (# 2907:25 Unique 3.45, 4.85 A
)
&rst
ixpk= 2907, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1440,1441,
igr2=1144,1145,1146,
&end
#
# 77 ILE HB 77 ILE QD1 4.50 (# 2908:25 Unique 3.76, 3.97 A
)
&rst
ixpk= 2908, nxpk= 25, iat=1135, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1144,1145,1146,
&end
#
# 77 ILE HG1- 77 ILE QG2 4.50 (# 2909:25 Unique 2.29, 3.45 A
)
&rst
ixpk= 2909, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1141,1142,
igr2=1137,1138,1139,
&end
#
# 79 LEU MDX 77 ILE QG2 4.50 (# 2910:25 Unique 2.31, 4.45 A
)
&rst
ixpk= 2910, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1170,1171,1172,1174,1175,1176,
igr2=1137,1138,1139,
&end
#
# 79 LEU HG 77 ILE QG2 3.50 (# 2911:25 Unique 2.36, 3.29 A
)
&rst
ixpk= 2911, nxpk= 25, iat=1168, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1137,1138,1139,
&end
#
# 97 GLU HB- 77 ILE QG2 4.50 (# 2912:25 Unique 2.75, 4.78 A
)
&rst
ixpk= 2912, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1437,1438,
igr2=1137,1138,1139,
&end
#
# 14 ARG HB- 77 ILE QG2 5.50 (# 2913:25 Unique 6.24, 7.61 A
)
&rst
ixpk= 2913, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 231, 232,
igr2=1137,1138,1139,
&end
#
# 97 GLU HB+ 77 ILE QG2 5.50 (# 2914:25 Unique 2.75, 4.78 A
)
&rst
ixpk= 2914, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1437,1438,
igr2=1137,1138,1139,
&end
#
# 6 PHE HA 77 ILE QG2 5.50 (# 2915:25 Unique 3.51, 4.32 A
)
&rst
ixpk= 2915, nxpk= 25, iat= 100, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1137,1138,1139,
&end
#
# 77 ILE HN 77 ILE QG2 5.50 (# 2917:25 Unique 4.07, 4.38 A
)
&rst
ixpk= 2917, nxpk= 25, iat=1131, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1137,1138,1139,
&end
#
# 78 SER HN 77 ILE QG2 4.50 (# 2918:25 Unique 2.78, 3.74 A
)
&rst
ixpk= 2918, nxpk= 25, iat=1150, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1137,1138,1139,
&end
#
# 7 VAL HN 78 SER HA 4.50 (# 2919:25 Unique 2.29, 2.78 A
)
&rst
ixpk= 2919, nxpk= 25, iat= 118,1152, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 78 SER HN 78 SER HA 4.50 (# 2920:25 Unique 2.93, 2.97 A
)
&rst
ixpk= 2920, nxpk= 25, iat=1150,1152, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 96 PHE HE 78 SER HA 5.50 (# 2921:25 Unique 3.79, 5.56 A
)
&rst
ixpk= 2921, nxpk= 25, iat= -1,1152, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1423,1427,
&end
#
# 78 SER HB+ 78 SER HA 3.50 (# 2922:25 Unique 2.37, 2.73 A
)
&rst
ixpk= 2922, nxpk= 25, iat= -1,1152, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1154,1155,
&end
#
# 0 AMB 25-2:2923 78 SER HA 4.50 (# 2923:25 Single Ambig
)
&rst
ixpk= 2923, nxpk= 25, iat= -1,1152, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1170,1171,1172,1174,1175,1176,1255,1256,1257,1259,
1260,1261,
&end
#
# 7 VAL MGY 78 SER HA 4.50 (# 2924:25 Unique 2.70, 4.57 A
)
&rst
ixpk= 2924, nxpk= 25, iat= -1,1152, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 124, 125, 126, 128, 129, 130,
&end
#
# 7 VAL MGX 78 SER HA 4.50 (# 2925:25 Unique 2.70, 4.57 A
)
&rst
ixpk= 2925, nxpk= 25, iat= -1,1152, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 124, 125, 126, 128, 129, 130,
&end
#
# 77 ILE QG2 78 SER HA 5.50 (# 2926:25 Unique 3.58, 4.92 A
)
&rst
ixpk= 2926, nxpk= 25, iat= -1,1152, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1137,1138,1139,
&end
#
# 98 ASP HA 78 SER HB+ 4.50 (# 2927:25 Unique 2.15, 3.11 A
)
&rst
ixpk= 2927, nxpk= 25, iat=1450, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1154,1155,
&end
#
# 98 ASP HA 78 SER HB- 4.50 (# 2928:25 Unique 2.15, 3.11 A
)
&rst
ixpk= 2928, nxpk= 25, iat=1450, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1154,1155,
&end
#
# 78 SER HA 78 SER HB+ 4.50 (# 2929:25 Unique 2.37, 2.73 A
)
&rst
ixpk= 2929, nxpk= 25, iat=1152, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1154,1155,
&end
#
# 78 SER HA 78 SER HB- 3.50 (# 2930:25 Unique 2.37, 2.73 A
)
&rst
ixpk= 2930, nxpk= 25, iat=1152, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1154,1155,
&end
#
# 78 SER HN 78 SER HB+ 4.50 (# 2933:25 Unique 2.29, 2.79 A
)
&rst
ixpk= 2933, nxpk= 25, iat=1150, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1154,1155,
&end
#
# 0 AMB 25-2:2934 78 SER HB- 3.50 (# 2934:25 Single Ambig
)
&rst
ixpk= 2934, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1150,1246,
igr2=1154,1155,
&end
#
# 99 TRP HB+ 79 LEU HA 4.50 (# 2935:25 Unique 2.24, 3.50 A
)
&rst
ixpk= 2935, nxpk= 25, iat= -1,1163, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1464,1465,
&end
#
# 80 CYS HN 79 LEU HA 3.50 (# 2936:25 Unique 2.44, 2.82 A
)
&rst
ixpk= 2936, nxpk= 25, iat=1180,1163, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 99 TRP HN 79 LEU HA 4.50 (# 2937:25 Unique 2.38, 2.75 A
)
&rst
ixpk= 2937, nxpk= 25, iat=1460,1163, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 79 LEU HN 79 LEU HA 3.50 (# 2938:25 Unique 2.93, 2.95 A
)
&rst
ixpk= 2938, nxpk= 25, iat=1161,1163, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 99 TRP HB- 79 LEU HA 4.50 (# 2939:25 Unique 2.24, 3.50 A
)
&rst
ixpk= 2939, nxpk= 25, iat= -1,1163, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1464,1465,
&end
#
# 79 LEU HB- 79 LEU HA 3.50 (# 2940:25 Unique 2.34, 2.72 A
)
&rst
ixpk= 2940, nxpk= 25, iat= -1,1163, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1165,1166,
&end
#
# 79 LEU MDX 79 LEU HA 4.50 (# 2941:25 Unique 2.32, 4.41 A
)
&rst
ixpk= 2941, nxpk= 25, iat= -1,1163, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1170,1171,1172,1174,1175,1176,
&end
#
# 79 LEU MDX 79 LEU HB+ 4.50 (# 2942:25 Unique 2.32, 3.32 A
)
&rst
ixpk= 2942, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1170,1171,1172,1174,1175,1176,
igr2=1165,1166,
&end
#
# 79 LEU MDX 79 LEU HB- 3.50 (# 2943:25 Unique 2.32, 3.32 A
)
&rst
ixpk= 2943, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1170,1171,1172,1174,1175,1176,
igr2=1165,1166,
&end
#
# 79 LEU HG 79 LEU HB- 3.50 (# 2944:25 Unique 2.49, 2.81 A
)
&rst
ixpk= 2944, nxpk= 25, iat=1168, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1165,1166,
&end
#
# 8 CYS HB+ 79 LEU HB+ 5.50 (# 2946:25 Unique 2.07, 3.71 A
)
&rst
ixpk= 2946, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 138, 139,
igr2=1165,1166,
&end
#
# 8 CYS HB+ 79 LEU HB- 4.50 (# 2947:25 Unique 2.07, 3.71 A
)
&rst
ixpk= 2947, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 138, 139,
igr2=1165,1166,
&end
#
# 0 AMB 25-2:2948 79 LEU HB- 5.50 (# 2948:25 Single Ambig
)
&rst
ixpk= 2948, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 253, 229,1154,1155,
igr2=1165,1166,
&end
#
# 0 AMB 25-2:2949 79 LEU HB+ 5.50 (# 2949:25 Double Ambig
)
&rst
ixpk= 2949, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 253, 229,1193,1194,1154,1155,
igr2=1165,1166,
&end
#
# 79 LEU HA 79 LEU HB- 3.50 (# 2952:25 Unique 2.34, 2.72 A
)
&rst
ixpk= 2952, nxpk= 25, iat=1163, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1165,1166,
&end
#
# 79 LEU HN 79 LEU HB+ 5.50 (# 2953:25 Unique 2.69, 3.37 A
)
&rst
ixpk= 2953, nxpk= 25, iat=1161, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1165,1166,
&end
#
# 79 LEU HN 79 LEU HB- 4.50 (# 2954:25 Unique 2.69, 3.37 A
)
&rst
ixpk= 2954, nxpk= 25, iat=1161, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1165,1166,
&end
#
# 79 LEU HN 79 LEU HG 5.50 (# 2956:25 Unique 3.22, 3.73 A
)
&rst
ixpk= 2956, nxpk= 25, iat=1161,1168, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 99 TRP HB- 79 LEU HG 4.50 (# 2958:25 Unique 2.27, 3.42 A
)
&rst
ixpk= 2958, nxpk= 25, iat= -1,1168, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1464,1465,
&end
#
# 8 CYS HB+ 80 CYS HA 5.50 (# 2962:25 Unique 2.67, 4.77 A
)
&rst
ixpk= 2962, nxpk= 25, iat= -1,1182, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 138, 139,
&end
#
# 8 CYS HA 80 CYS HA 4.50 (# 2963:25 Unique 2.33, 3.26 A
)
&rst
ixpk= 2963, nxpk= 25, iat= 136,1182, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 80 CYS HN 80 CYS HA 4.50 (# 2965:25 Unique 2.74, 2.92 A
)
&rst
ixpk= 2965, nxpk= 25, iat=1180,1182, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 81 GLY HN 80 CYS HA 5.50 (# 2966:25 Unique 3.52, 3.58 A
)
&rst
ixpk= 2966, nxpk= 25, iat=1191,1182, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 80 CYS HN 80 CYS HB- 5.50 (# 2967:25 Unique 2.39, 3.04 A
)
&rst
ixpk= 2967, nxpk= 25, iat=1180, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1184,1185,
&end
#
# 80 CYS HA 80 CYS HB+ 3.50 (# 2968:25 Unique 2.45, 2.76 A
)
&rst
ixpk= 2968, nxpk= 25, iat=1182, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1184,1185,
&end
#
# 80 CYS HA 80 CYS HB- 3.50 (# 2969:25 Unique 2.45, 2.76 A
)
&rst
ixpk= 2969, nxpk= 25, iat=1182, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1184,1185,
&end
#
# 84 VAL HB 80 CYS HB+ 5.50 (# 2970:25 Unique 2.11, 2.81 A
)
&rst
ixpk= 2970, nxpk= 25, iat=1220, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1184,1185,
&end
#
# 84 VAL HB 80 CYS HB- 3.50 (# 2971:25 Unique 2.11, 2.81 A
)
&rst
ixpk= 2971, nxpk= 25, iat=1220, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1184,1185,
&end
#
# 82 CYS HN 81 GLY HA+ 3.50 (# 2973:25 Unique 2.42, 3.09 A
)
&rst
ixpk= 2973, nxpk= 25, iat=1198, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1193,1194,
&end
#
# 82 CYS HN 81 GLY HA- 3.50 (# 2974:25 Unique 2.42, 3.09 A
)
&rst
ixpk= 2974, nxpk= 25, iat=1198, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1193,1194,
&end
#
# 101 LEU HN 81 GLY HA+ 5.50 (# 2975:25 Unique 2.40, 3.69 A
)
&rst
ixpk= 2975, nxpk= 25, iat=1501, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1193,1194,
&end
#
# 101 LEU HN 81 GLY HA- 5.50 (# 2976:25 Unique 2.40, 3.69 A
)
&rst
ixpk= 2976, nxpk= 25, iat=1501, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1193,1194,
&end
#
# 83 GLY HA- 82 CYS HA 5.50 (# 2979:25 Unique 4.26, 4.61 A
)
&rst
ixpk= 2979, nxpk= 25, iat= -1,1200, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1211,1212,
&end
#
# 84 VAL HN 82 CYS HA 4.50 (# 2980:25 Unique 3.11, 4.37 A
)
&rst
ixpk= 2980, nxpk= 25, iat=1216,1200, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 100 GLN HE2+ 82 CYS HA 5.50 (# 2981:25 Unique 2.09, 3.63 A
)
&rst
ixpk= 2981, nxpk= 25, iat= -1,1200, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1496,1497,
&end
#
# 100 GLN HE2- 82 CYS HA 5.50 (# 2982:25 Unique 2.09, 3.63 A
)
&rst
ixpk= 2982, nxpk= 25, iat= -1,1200, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1496,1497,
&end
#
# 82 CYS HN 82 CYS HA 3.50 (# 2983:25 Unique 2.25, 2.81 A
)
&rst
ixpk= 2983, nxpk= 25, iat=1198,1200, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 83 GLY HN 82 CYS HB+ 5.50 (# 2984:25 Unique 2.33, 4.00 A
)
&rst
ixpk= 2984, nxpk= 25, iat=1209, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1202,1203,
&end
#
# 83 GLY HA- 82 CYS HB+ 4.50 (# 2986:25 Unique 4.11, 5.40 A
)
&rst
ixpk= 2986, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1211,1212,
igr2=1202,1203,
&end
#
# 84 VAL HN 83 GLY HA- 4.50 (# 2988:25 Unique 2.64, 3.25 A
)
&rst
ixpk= 2988, nxpk= 25, iat=1216, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1211,1212,
&end
#
# 83 GLY HN 83 GLY HA+ 4.50 (# 2989:25 Unique 2.27, 2.59 A
)
&rst
ixpk= 2989, nxpk= 25, iat=1209, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1211,1212,
&end
#
# 83 GLY HN 83 GLY HA- 4.50 (# 2990:25 Unique 2.27, 2.59 A
)
&rst
ixpk= 2990, nxpk= 25, iat=1209, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1211,1212,
&end
#
# 85 ASN HA 84 VAL HA 4.50 (# 2991:25 Unique 4.29, 4.40 A
)
&rst
ixpk= 2991, nxpk= 25, iat=1234,1218, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 85 ASN HA 84 VAL MGY 5.50 (# 2993:25 Unique 3.62, 5.87 A
)
&rst
ixpk= 2993, nxpk= 25, iat=1234, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1222,1223,1224,1226,1227,1228,
&end
#
# 84 VAL HN 84 VAL MGY 4.50 (# 2994:25 Unique 2.02, 3.91 A
)
&rst
ixpk= 2994, nxpk= 25, iat=1216, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1222,1223,1224,1226,1227,1228,
&end
#
# 0 AMB 25-2:2995 84 VAL MGY 4.50 (# 2995:25 Single Ambig
)
&rst
ixpk= 2995, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1198,1232,
igr2=1222,1223,1224,1226,1227,1228,
&end
#
# 86 LEU HN 85 ASN HA 2.80 (# 2996:25 Unique 2.12, 2.20 A
)
&rst
ixpk= 2996, nxpk= 25, iat=1246,1234, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 78 SER HB+ 98 ASP HA 3.50 (# 2998:25 Unique 2.15, 3.11 A
)
&rst
ixpk= 2998, nxpk= 25, iat= -1,1450, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1154,1155,
&end
#
# 78 SER HB- 98 ASP HA 3.50 (# 2999:25 Unique 2.15, 3.11 A
)
&rst
ixpk= 2999, nxpk= 25, iat= -1,1450, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1154,1155,
&end
#
# 99 TRP HB+ 98 ASP HA 5.50 (# 3000:25 Unique 4.46, 5.15 A
)
&rst
ixpk= 3000, nxpk= 25, iat= -1,1450, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1464,1465,
&end
#
# 86 LEU HB+ 85 ASN HA 4.50 (# 3002:25 Unique 4.22, 5.11 A
)
&rst
ixpk= 3002, nxpk= 25, iat= -1,1234, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1250,1251,
&end
#
# 91 VAL MGY 85 ASN HA 5.50 (# 3004:25 Unique 2.18, 4.84 A
)
&rst
ixpk= 3004, nxpk= 25, iat= -1,1234, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1338,1339,1340,1342,1343,1344,
&end
#
# 77 ILE QG2 98 ASP HA 5.50 (# 3005:25 Unique 3.87, 4.97 A
)
&rst
ixpk= 3005, nxpk= 25, iat= -1,1450, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1137,1138,1139,
&end
#
# 84 VAL MGY 85 ASN HB- 5.50 (# 3006:25 Unique 4.59, 6.58 A
)
&rst
ixpk= 3006, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1222,1223,1224,1226,1227,1228,
igr2=1236,1237,
&end
#
# 0 AMB 25-2:3007 0 AMB 25-1:3007 4.50 (# 3007:25 Double Ambig
)
&rst
ixpk= 3007, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1=1222,1223,1224,1226,1227,1228,1222,1223,1224,1226,
1227,1228,
igr2=1236,1237,1236,1237,
&end
#
# 85 ASN HD2- 85 ASN HB- 4.50 (# 3008:25 Unique 2.37, 3.44 A
)
&rst
ixpk= 3008, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1241,1242,
igr2=1236,1237,
&end
#
# 85 ASN HD2- 85 ASN HB+ 4.50 (# 3009:25 Unique 2.37, 3.44 A
)
&rst
ixpk= 3009, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1241,1242,
igr2=1236,1237,
&end
#
# 85 ASN HN 85 ASN HB- 4.50 (# 3010:25 Unique 2.31, 2.88 A
)
&rst
ixpk= 3010, nxpk= 25, iat=1232, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1236,1237,
&end
#
# 85 ASN HN 85 ASN HB+ 3.50 (# 3011:25 Unique 2.31, 2.88 A
)
&rst
ixpk= 3011, nxpk= 25, iat=1232, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1236,1237,
&end
#
# 86 LEU HN 85 ASN HB- 4.50 (# 3012:25 Unique 2.77, 4.42 A
)
&rst
ixpk= 3012, nxpk= 25, iat=1246, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1236,1237,
&end
#
# 86 LEU HG 86 LEU HA 3.50 (# 3016:25 Unique 2.51, 3.12 A
)
&rst
ixpk= 3016, nxpk= 25, iat=1253,1248, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:3018 86 LEU HA 3.50 (# 3018:25 Single Ambig
)
&rst
ixpk= 3018, nxpk= 25, iat= -1,1248, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1255,1256,1257,1259,1260,1261,1222,1223,1224,1226,
1227,1228, 556, 557, 558, 560, 561, 562,
&end
#
# 65 ILE QD1 86 LEU HA 5.50 (# 3019:25 Unique 4.70, 6.12 A
)
&rst
ixpk= 3019, nxpk= 25, iat= -1,1248, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 963, 964, 965,
&end
#
# 91 VAL MGY 86 LEU HB- 4.50 (# 3020:25 Unique 2.16, 4.77 A
)
&rst
ixpk= 3020, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1338,1339,1340,1342,1343,1344,
igr2=1250,1251,
&end
#
# 90 TRP HB- 86 LEU HB+ 4.50 (# 3021:25 Unique 2.50, 3.78 A
)
&rst
ixpk= 3021, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1312,1313,
igr2=1250,1251,
&end
#
# 90 TRP HB- 86 LEU HB- 3.50 (# 3022:25 Unique 2.50, 3.78 A
)
&rst
ixpk= 3022, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1312,1313,
igr2=1250,1251,
&end
#
# 88 PRO HD- 86 LEU HB+ 3.50 (# 3023:25 Unique 2.01, 3.69 A
)
&rst
ixpk= 3023, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1280,1281,
igr2=1250,1251,
&end
#
# 88 PRO HD+ 86 LEU HB+ 4.50 (# 3024:25 Unique 2.01, 3.69 A
)
&rst
ixpk= 3024, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1280,1281,
igr2=1250,1251,
&end
#
# 88 PRO HD+ 86 LEU HB- 4.50 (# 3025:25 Unique 2.01, 3.69 A
)
&rst
ixpk= 3025, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1280,1281,
igr2=1250,1251,
&end
#
# 86 LEU HA 86 LEU HB+ 3.50 (# 3026:25 Unique 2.36, 2.74 A
)
&rst
ixpk= 3026, nxpk= 25, iat=1248, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1250,1251,
&end
#
# 86 LEU HN 86 LEU HB- 3.50 (# 3027:25 Unique 2.18, 3.06 A
)
&rst
ixpk= 3027, nxpk= 25, iat=1246, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1250,1251,
&end
#
# 36 GLY HA+ 37 LEU HG 5.50 (# 3029:25 Unique 3.76, 4.65 A
)
&rst
ixpk= 3029, nxpk= 25, iat= -1, 554, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 542, 543,
&end
#
# 86 LEU HA 86 LEU HG 3.50 (# 3030:25 Unique 2.51, 3.12 A
)
&rst
ixpk= 3030, nxpk= 25, iat=1248,1253, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 86 LEU HB+ 86 LEU HG 2.80 (# 3031:25 Unique 2.37, 2.76 A
)
&rst
ixpk= 3031, nxpk= 25, iat= -1,1253, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1250,1251,
&end
#
# 91 VAL MGY 86 LEU HG 5.50 (# 3032:25 Unique 2.58, 5.58 A
)
&rst
ixpk= 3032, nxpk= 25, iat= -1,1253, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1338,1339,1340,1342,1343,1344,
&end
#
# 70 ALA MB 89 GLU HB- 3.50 (# 3033:25 Unique 2.30, 4.71 A
)
&rst
ixpk= 3033, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1036,1037,1038,
igr2=1297,1298,
&end
#
# 90 TRP HB- 86 LEU MDX 4.50 (# 3036:25 Unique 2.24, 4.38 A
)
&rst
ixpk= 3036, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1312,1313,
igr2=1255,1256,1257,1259,1260,1261,
&end
#
# 0 AMB 25-2:3037 86 LEU MDX 5.50 (# 3037:25 Single Ambig
)
&rst
ixpk= 3037, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1310,1182,
igr2=1255,1256,1257,1259,1260,1261,
&end
#
# 96 PHE HE 86 LEU MDX 4.50 (# 3039:25 Unique 2.27, 5.93 A
)
&rst
ixpk= 3039, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1423,1427,
igr2=1255,1256,1257,1259,1260,1261,
&end
#
# 86 LEU HN 86 LEU MDX 5.50 (# 3040:25 Unique 3.10, 4.22 A
)
&rst
ixpk= 3040, nxpk= 25, iat=1246, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1255,1256,1257,1259,1260,1261,
&end
#
# 78 SER HA 86 LEU MDY 5.50 (# 3041:25 Unique 2.90, 4.95 A
)
&rst
ixpk= 3041, nxpk= 25, iat=1152, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1255,1256,1257,1259,1260,1261,
&end
#
# 86 LEU HA 86 LEU MDY 4.50 (# 3043:25 Unique 2.12, 3.81 A
)
&rst
ixpk= 3043, nxpk= 25, iat=1248, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1255,1256,1257,1259,1260,1261,
&end
#
# 78 SER HB+ 86 LEU MDY 4.50 (# 3044:25 Unique 2.37, 4.84 A
)
&rst
ixpk= 3044, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1154,1155,
igr2=1255,1256,1257,1259,1260,1261,
&end
#
# 90 TRP HB- 86 LEU MDY 4.50 (# 3045:25 Unique 2.24, 4.38 A
)
&rst
ixpk= 3045, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1312,1313,
igr2=1255,1256,1257,1259,1260,1261,
&end
#
# 7 VAL MGX 86 LEU MDY 4.50 (# 3046:25 Unique 2.23, 4.43 A
)
&rst
ixpk= 3046, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 124, 125, 126, 128, 129, 130,
igr2=1255,1256,1257,1259,1260,1261,
&end
#
# 90 TRP HN 88 PRO HA 4.50 (# 3047:25 Unique 3.95, 4.12 A
)
&rst
ixpk= 3047, nxpk= 25, iat=1308,1289, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 89 GLU HN 88 PRO HA 4.50 (# 3048:25 Unique 2.28, 2.42 A
)
&rst
ixpk= 3048, nxpk= 25, iat=1293,1289, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 89 GLU HN 88 PRO HB+ 4.50 (# 3049:25 Unique 1.93, 2.79 A
)
&rst
ixpk= 3049, nxpk= 25, iat=1293, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1286,1287,
&end
#
# 89 GLU HN 88 PRO HB- 3.50 (# 3050:25 Unique 1.93, 2.79 A
)
&rst
ixpk= 3050, nxpk= 25, iat=1293, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1286,1287,
&end
#
# 88 PRO HA 88 PRO HG- 4.50 (# 3053:25 Unique 2.83, 3.92 A
)
&rst
ixpk= 3053, nxpk= 25, iat=1289, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1283,1284,
&end
#
# 90 TRP HD1 88 PRO HD+ 4.50 (# 3054:25 Unique 3.58, 4.83 A
)
&rst
ixpk= 3054, nxpk= 25, iat=1316, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1280,1281,
&end
#
# 89 GLU HN 88 PRO HD+ 5.50 (# 3055:25 Unique 5.02, 5.29 A
)
&rst
ixpk= 3055, nxpk= 25, iat=1293, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1280,1281,
&end
#
# 65 ILE QD1 88 PRO HD- 4.50 (# 3056:25 Unique 3.37, 5.21 A
)
&rst
ixpk= 3056, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 963, 964, 965,
igr2=1280,1281,
&end
#
# 86 LEU MDX 88 PRO HD- 4.50 (# 3057:25 Unique 2.62, 5.37 A
)
&rst
ixpk= 3057, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1255,1256,1257,1259,1260,1261,
igr2=1280,1281,
&end
#
# 86 LEU HB+ 88 PRO HD- 4.50 (# 3058:25 Unique 2.01, 3.69 A
)
&rst
ixpk= 3058, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1250,1251,
igr2=1280,1281,
&end
#
# 0 AMB 25-2:3059 88 PRO HD- 3.50 (# 3059:25 Single Ambig
)
&rst
ixpk= 3059, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1283,1284,1283,1284,
igr2=1280,1281,
&end
#
# 90 TRP HB- 88 PRO HD- 5.50 (# 3061:25 Unique 3.60, 5.55 A
)
&rst
ixpk= 3061, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1312,1313,
igr2=1280,1281,
&end
#
# 90 TRP HD1 88 PRO HD- 4.50 (# 3062:25 Unique 3.58, 4.83 A
)
&rst
ixpk= 3062, nxpk= 25, iat=1316, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1280,1281,
&end
#
# 92 THR MG2 89 GLU HA 3.50 (# 3063:25 Unique 2.27, 3.73 A
)
&rst
ixpk= 3063, nxpk= 25, iat= -1,1295, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1354,1355,1356,
&end
#
# 91 VAL MGX 89 GLU HA 5.50 (# 3064:25 Unique 2.95, 5.76 A
)
&rst
ixpk= 3064, nxpk= 25, iat= -1,1295, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1338,1339,1340,1342,1343,1344,
&end
#
# 93 GLN HE2+ 89 GLU HA 5.50 (# 3065:25 Unique 3.71, 4.83 A
)
&rst
ixpk= 3065, nxpk= 25, iat= -1,1295, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1374,1375,
&end
#
# 0 AMB 25-2:3066 89 GLU HA 3.50 (# 3066:25 Single Ambig
)
&rst
ixpk= 3066, nxpk= 25, iat= -1,1295, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1348,1332,
&end
#
# 90 TRP HN 89 GLU HA 3.50 (# 3067:25 Unique 3.25, 3.34 A
)
&rst
ixpk= 3067, nxpk= 25, iat=1308,1295, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 90 TRP HN 89 GLU HB+ 5.50 (# 3068:25 Unique 3.29, 3.90 A
)
&rst
ixpk= 3068, nxpk= 25, iat=1308, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1297,1298,
&end
#
# 107 GLN HE2+ 102 GLU HG+ 5.50 (# 3072:25 Unique 5.93, 6.86 A
)
&rst
ixpk= 3072, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1592,1593,
igr2=1527,1528,
&end
#
# 96 PHE HB- 91 VAL HA 4.50 (# 3075:25 Unique 3.08, 3.93 A
)
&rst
ixpk= 3075, nxpk= 25, iat= -1,1334, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1417,1418,
&end
#
# 91 VAL HN 91 VAL HB 4.50 (# 3076:25 Unique 2.14, 2.51 A
)
&rst
ixpk= 3076, nxpk= 25, iat=1332,1336, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:3077 91 VAL HB 4.50 (# 3077:25 Single Ambig
)
&rst
ixpk= 3077, nxpk= 25, iat= -1,1336, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1423,1427,1421,1429,
&end
#
# 90 TRP HN 91 VAL MGX 5.50 (# 3078:25 Unique 3.78, 6.16 A
)
&rst
ixpk= 3078, nxpk= 25, iat=1308, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1338,1339,1340,1342,1343,1344,
&end
#
# 0 AMB 25-2:3080 91 VAL MGX 5.50 (# 3080:25 Single Ambig
)
&rst
ixpk= 3080, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1352,1350,
igr2=1338,1339,1340,1342,1343,1344,
&end
#
# 90 TRP HB- 91 VAL MGX 5.50 (# 3082:25 Unique 3.60, 6.38 A
)
&rst
ixpk= 3082, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1312,1313,
igr2=1338,1339,1340,1342,1343,1344,
&end
#
# 96 PHE HB- 91 VAL MGY 5.50 (# 3084:25 Unique 3.73, 6.05 A
)
&rst
ixpk= 3084, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1417,1418,
igr2=1338,1339,1340,1342,1343,1344,
&end
#
# 90 TRP HB- 91 VAL MGY 5.50 (# 3085:25 Unique 3.60, 6.38 A
)
&rst
ixpk= 3085, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1312,1313,
igr2=1338,1339,1340,1342,1343,1344,
&end
#
# 0 AMB 25-2:3086 91 VAL MGY 5.50 (# 3086:25 Single Ambig
)
&rst
ixpk= 3086, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1312,1313,1280,1281,
igr2=1338,1339,1340,1342,1343,1344,
&end
#
# 86 LEU HN 91 VAL MGY 5.50 (# 3089:25 Unique 2.06, 4.49 A
)
&rst
ixpk= 3089, nxpk= 25, iat=1246, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1338,1339,1340,1342,1343,1344,
&end
#
# 0 AMB 25-2:3090 92 THR HB 4.50 (# 3090:25 Single Ambig
)
&rst
ixpk= 3090, nxpk= 25, iat= -1,1352, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1348,1332,
&end
#
# 89 GLU HA 92 THR MG2 4.50 (# 3091:25 Unique 2.27, 3.73 A
)
&rst
ixpk= 3091, nxpk= 25, iat=1295, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1354,1355,1356,
&end
#
# 94 GLU HB- 93 GLN HA 5.50 (# 3092:25 Unique 4.51, 5.18 A
)
&rst
ixpk= 3092, nxpk= 25, iat= -1,1364, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1383,1384,
&end
#
# 93 GLN HE2+ 93 GLN HA 4.50 (# 3093:25 Unique 3.18, 3.82 A
)
&rst
ixpk= 3093, nxpk= 25, iat= -1,1364, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1374,1375,
&end
#
# 93 GLN HE2- 93 GLN HA 5.50 (# 3094:25 Unique 3.18, 3.82 A
)
&rst
ixpk= 3094, nxpk= 25, iat= -1,1364, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1374,1375,
&end
#
# 93 GLN HN 93 GLN HB+ 4.50 (# 3095:25 Unique 2.23, 3.06 A
)
&rst
ixpk= 3095, nxpk= 25, iat=1362, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1366,1367,
&end
#
# 94 GLU HB- 93 GLN HB+ 5.50 (# 3096:25 Unique 4.11, 5.00 A
)
&rst
ixpk= 3096, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1383,1384,
igr2=1366,1367,
&end
#
# 93 GLN HG- 93 GLN HB+ 3.50 (# 3097:25 Unique 2.37, 2.60 A
)
&rst
ixpk= 3097, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1369,1370,
igr2=1366,1367,
&end
#
# 0 AMB 25-2:3098 0 AMB 25-1:3098 2.80 (# 3098:25 Double Ambig
)
&rst
ixpk= 3098, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1366,1367,1070,1071,
igr2=1369,1370,1369,1370,
&end
#
# 93 GLN HE2+ 93 GLN HG+ 4.50 (# 3099:25 Unique 2.21, 3.24 A
)
&rst
ixpk= 3099, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1374,1375,
igr2=1369,1370,
&end
#
# 0 AMB 25-2:3100 0 AMB 25-1:3100 5.50 (# 3100:25 Double Ambig
)
&rst
ixpk= 3100, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1066,1054,
igr2=1369,1370,1369,1370,
&end
#
# 95 ILE HN 94 GLU HA 3.50 (# 3101:25 Unique 3.52, 3.55 A
)
&rst
ixpk= 3101, nxpk= 25, iat=1394,1381, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 95 ILE HB 94 GLU HA 5.50 (# 3102:25 Unique 5.59, 5.62 A
)
&rst
ixpk= 3102, nxpk= 25, iat=1398,1381, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 74 ASP HA 94 GLU HB+ 5.50 (# 3104:25 Unique 3.51, 4.06 A
)
&rst
ixpk= 3104, nxpk= 25, iat=1089, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1383,1384,
&end
#
# 74 ASP HA 94 GLU HB- 5.50 (# 3105:25 Unique 3.51, 4.06 A
)
&rst
ixpk= 3105, nxpk= 25, iat=1089, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1383,1384,
&end
#
# 95 ILE HN 94 GLU HB+ 3.50 (# 3106:25 Unique 2.74, 3.37 A
)
&rst
ixpk= 3106, nxpk= 25, iat=1394, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1383,1384,
&end
#
# 95 ILE HN 94 GLU HB- 4.50 (# 3107:25 Unique 2.74, 3.37 A
)
&rst
ixpk= 3107, nxpk= 25, iat=1394, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1383,1384,
&end
#
# 95 ILE HG1+ 95 ILE HA 2.80 (# 3108:25 Unique 2.27, 2.74 A
)
&rst
ixpk= 3108, nxpk= 25, iat= -1,1396, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1404,1405,
&end
#
# 76 VAL HN 95 ILE HB 3.50 (# 3110:25 Unique 3.52, 3.55 A
)
&rst
ixpk= 3110, nxpk= 25, iat=1115,1398, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 95 ILE HG1- 95 ILE HB 2.80 (# 3114:25 Unique 2.35, 2.70 A
)
&rst
ixpk= 3114, nxpk= 25, iat= -1,1398, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1404,1405,
&end
#
# 95 ILE HG1+ 95 ILE HB 2.80 (# 3115:25 Unique 2.35, 2.70 A
)
&rst
ixpk= 3115, nxpk= 25, iat= -1,1398, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1404,1405,
&end
#
# 75 VAL MGY 95 ILE HB 2.80 (# 3116:25 Unique 2.15, 3.71 A
)
&rst
ixpk= 3116, nxpk= 25, iat= -1,1398, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1105,1106,1107,1109,1110,1111,
&end
#
# 0 AMB 25-2:3117 0 AMB 25-1:3117 3.50 (# 3117:25 Double Ambig
)
&rst
ixpk= 3117, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1386,1387,1383,1384,
igr2=1404,1405,1404,1405,
&end
#
# 94 GLU HB+ 95 ILE HG1+ 4.50 (# 3118:25 Unique 2.69, 4.22 A
)
&rst
ixpk= 3118, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1383,1384,
igr2=1404,1405,
&end
#
# 94 GLU HB+ 95 ILE HG1- 2.80 (# 3119:25 Unique 2.69, 4.22 A
)
&rst
ixpk= 3119, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1383,1384,
igr2=1404,1405,
&end
#
# 95 ILE HN 95 ILE HG1- 4.50 (# 3120:25 Unique 3.02, 3.53 A
)
&rst
ixpk= 3120, nxpk= 25, iat=1394, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1404,1405,
&end
#
# 95 ILE HN 95 ILE HG1+ 5.50 (# 3121:25 Unique 3.02, 3.53 A
)
&rst
ixpk= 3121, nxpk= 25, iat=1394, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1404,1405,
&end
#
# 0 AMB 25-2:3122 0 AMB 25-1:3122 5.50 (# 3122:25 Double Ambig
)
&rst
ixpk= 3122, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1413,1379,
igr2=1404,1405,1404,1405,
&end
#
# 0 AMB 25-2:3123 95 ILE QD1 5.50 (# 3123:25 Single Ambig
)
&rst
ixpk= 3123, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1413,1379,
igr2=1407,1408,1409,
&end
#
# 95 ILE HN 95 ILE QD1 5.50 (# 3124:25 Unique 4.86, 5.31 A
)
&rst
ixpk= 3124, nxpk= 25, iat=1394, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1407,1408,1409,
&end
#
# 95 ILE HA 95 ILE QD1 3.50 (# 3125:25 Unique 4.01, 4.45 A
)
&rst
ixpk= 3125, nxpk= 25, iat=1396, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1407,1408,1409,
&end
#
# 126 LEU HB+ 95 ILE QD1 4.50 (# 3127:25 Unique 4.48, 6.41 A
)
&rst
ixpk= 3127, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1906,1907,
igr2=1407,1408,1409,
&end
#
# 0 AMB 25-2:3128 95 ILE QD1 4.50 (# 3128:25 Single Ambig
)
&rst
ixpk= 3128, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1386,1387,1383,1384,
igr2=1407,1408,1409,
&end
#
# 95 ILE HN 95 ILE QG2 4.50 (# 3129:25 Unique 4.32, 4.70 A
)
&rst
ixpk= 3129, nxpk= 25, iat=1394, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1400,1401,1402,
&end
#
# 97 GLU HN 95 ILE QG2 5.50 (# 3130:25 Unique 4.20, 5.44 A
)
&rst
ixpk= 3130, nxpk= 25, iat=1433, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1400,1401,1402,
&end
#
# 77 ILE QD1 96 PHE HA 5.50 (# 3132:25 Unique 2.55, 4.05 A
)
&rst
ixpk= 3132, nxpk= 25, iat= -1,1415, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1144,1145,1146,
&end
#
# 0 AMB 25-2:3133 96 PHE HA 4.50 (# 3133:25 Single Ambig
)
&rst
ixpk= 3133, nxpk= 25, iat= -1,1415, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1400,1401,1402,1105,1106,1107,1109,1110,1111,
&end
#
# 76 VAL HB 96 PHE HA 5.50 (# 3134:25 Unique 3.98, 4.59 A
)
&rst
ixpk= 3134, nxpk= 25, iat=1119,1415, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 96 PHE HB- 96 PHE HA 3.50 (# 3135:25 Unique 2.42, 2.75 A
)
&rst
ixpk= 3135, nxpk= 25, iat= -1,1415, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1417,1418,
&end
#
# 96 PHE HN 96 PHE HA 3.50 (# 3137:25 Unique 2.85, 2.87 A
)
&rst
ixpk= 3137, nxpk= 25, iat=1413,1415, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 96 PHE HN 96 PHE HB+ 3.50 (# 3138:25 Unique 2.85, 3.19 A
)
&rst
ixpk= 3138, nxpk= 25, iat=1413, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1417,1418,
&end
#
# 97 GLU HN 96 PHE HB+ 5.50 (# 3139:25 Unique 3.92, 3.99 A
)
&rst
ixpk= 3139, nxpk= 25, iat=1433, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1417,1418,
&end
#
# 97 GLU HN 96 PHE HB- 4.50 (# 3140:25 Unique 3.92, 3.99 A
)
&rst
ixpk= 3140, nxpk= 25, iat=1433, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1417,1418,
&end
#
# 96 PHE HA 96 PHE HB- 3.50 (# 3141:25 Unique 2.42, 2.75 A
)
&rst
ixpk= 3141, nxpk= 25, iat=1415, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1417,1418,
&end
#
# 91 VAL HA 96 PHE HB+ 3.50 (# 3143:25 Unique 3.08, 3.93 A
)
&rst
ixpk= 3143, nxpk= 25, iat=1334, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1417,1418,
&end
#
# 95 ILE HA 96 PHE HB+ 5.50 (# 3144:25 Unique 4.54, 4.69 A
)
&rst
ixpk= 3144, nxpk= 25, iat=1396, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1417,1418,
&end
#
# 91 VAL HA 96 PHE HB- 3.50 (# 3146:25 Unique 3.08, 3.93 A
)
&rst
ixpk= 3146, nxpk= 25, iat=1334, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1417,1418,
&end
#
# 0 AMB 25-2:3147 0 AMB 25-1:3147 5.50 (# 3147:25 Double Ambig
)
&rst
ixpk= 3147, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1336,1404,1405,
igr2=1417,1418,1417,1418,
&end
#
# 0 AMB 25-2:3148 96 PHE HB- 5.50 (# 3148:25 Single Ambig
)
&rst
ixpk= 3148, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1336,1404,1405,
igr2=1417,1418,
&end
#
# 77 ILE QD1 97 GLU HA 4.50 (# 3149:25 Unique 4.47, 5.41 A
)
&rst
ixpk= 3149, nxpk= 25, iat= -1,1435, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1144,1145,1146,
&end
#
# 98 ASP HB+ 97 GLU HA 4.50 (# 3150:25 Unique 4.48, 4.74 A
)
&rst
ixpk= 3150, nxpk= 25, iat= -1,1435, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1452,1453,
&end
#
# 96 PHE HA 97 GLU HA 5.50 (# 3151:25 Unique 4.46, 4.53 A
)
&rst
ixpk= 3151, nxpk= 25, iat=1415,1435, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 99 TRP HE1 97 GLU HA 5.50 (# 3152:25 Unique 4.94, 5.32 A
)
&rst
ixpk= 3152, nxpk= 25, iat=1470,1435, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 98 ASP HN 97 GLU HB+ 4.50 (# 3153:25 Unique 2.41, 3.28 A
)
&rst
ixpk= 3153, nxpk= 25, iat=1448, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1437,1438,
&end
#
# 98 ASP HN 97 GLU HB- 4.50 (# 3154:25 Unique 2.41, 3.28 A
)
&rst
ixpk= 3154, nxpk= 25, iat=1448, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1437,1438,
&end
#
# 97 GLU HN 97 GLU HB+ 5.50 (# 3155:25 Unique 2.85, 3.35 A
)
&rst
ixpk= 3155, nxpk= 25, iat=1433, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1437,1438,
&end
#
# 97 GLU HN 97 GLU HB- 4.50 (# 3156:25 Unique 2.85, 3.35 A
)
&rst
ixpk= 3156, nxpk= 25, iat=1433, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1437,1438,
&end
#
# 99 TRP HD1 97 GLU HB+ 4.50 (# 3157:25 Unique 2.24, 3.00 A
)
&rst
ixpk= 3157, nxpk= 25, iat=1468, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1437,1438,
&end
#
# 99 TRP HD1 97 GLU HB- 4.50 (# 3158:25 Unique 2.24, 3.00 A
)
&rst
ixpk= 3158, nxpk= 25, iat=1468, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1437,1438,
&end
#
# 22 ALA MB 32 VAL HB 3.50 (# 3159:25 Unique 2.57, 3.30 A
)
&rst
ixpk= 3159, nxpk= 25, iat= -1, 492, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 352, 353, 354,
&end
#
# 77 ILE QG2 97 GLU HB+ 5.50 (# 3160:25 Unique 2.75, 4.78 A
)
&rst
ixpk= 3160, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1137,1138,1139,
igr2=1437,1438,
&end
#
# 77 ILE QG2 97 GLU HB- 4.50 (# 3161:25 Unique 2.75, 4.78 A
)
&rst
ixpk= 3161, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1137,1138,1139,
igr2=1437,1438,
&end
#
# 77 ILE QD1 97 GLU HG+ 3.50 (# 3162:25 Unique 3.45, 4.85 A
)
&rst
ixpk= 3162, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1144,1145,1146,
igr2=1440,1441,
&end
#
# 97 GLU HB- 97 GLU HG- 3.50 (# 3163:25 Unique 2.32, 2.73 A
)
&rst
ixpk= 3163, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1437,1438,
igr2=1440,1441,
&end
#
# 97 GLU HN 97 GLU HG+ 4.50 (# 3164:25 Unique 3.70, 4.20 A
)
&rst
ixpk= 3164, nxpk= 25, iat=1433, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1440,1441,
&end
#
# 0 AMB 25-2:3165 0 AMB 25-1:3165 4.50 (# 3165:25 Double Ambig
)
&rst
ixpk= 3165, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1448,1413,
igr2=1440,1441,1440,1441,
&end
#
# 99 TRP HE1 97 GLU HG+ 4.50 (# 3166:25 Unique 3.05, 4.30 A
)
&rst
ixpk= 3166, nxpk= 25, iat=1470, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1440,1441,
&end
#
# 78 SER HB+ 98 ASP HB+ 4.50 (# 3167:25 Unique 2.33, 4.11 A
)
&rst
ixpk= 3167, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1154,1155,
igr2=1452,1453,
&end
#
# 126 LEU HA 126 LEU HB+ 3.50 (# 3168:25 Unique 2.16, 2.42 A
)
&rst
ixpk= 3168, nxpk= 25, iat=1904, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1906,1907,
&end
#
# 96 PHE HE 98 ASP HB+ 3.50 (# 3169:25 Unique 2.60, 4.41 A
)
&rst
ixpk= 3169, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1423,1427,
igr2=1452,1453,
&end
#
# 99 TRP HN 98 ASP HB+ 5.50 (# 3170:25 Unique 4.10, 4.41 A
)
&rst
ixpk= 3170, nxpk= 25, iat=1460, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1452,1453,
&end
#
# 99 TRP HN 98 ASP HB- 5.50 (# 3171:25 Unique 4.10, 4.41 A
)
&rst
ixpk= 3171, nxpk= 25, iat=1460, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1452,1453,
&end
#
# 99 TRP HE1 99 TRP HA 5.50 (# 3172:25 Unique 4.79, 4.98 A
)
&rst
ixpk= 3172, nxpk= 25, iat=1470,1462, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 99 TRP HN 99 TRP HA 3.50 (# 3173:25 Unique 2.87, 2.92 A
)
&rst
ixpk= 3173, nxpk= 25, iat=1460,1462, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:3176 99 TRP HA 3.50 (# 3176:25 Single Ambig
)
&rst
ixpk= 3176, nxpk= 25, iat= -1,1462, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1843,1844,1488,1489,
&end
#
# 101 LEU HB+ 99 TRP HA 5.50 (# 3177:25 Unique 5.71, 6.53 A
)
&rst
ixpk= 3177, nxpk= 25, iat= -1,1462, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1505,1506,
&end
#
# 0 AMB 25-2:3179 0 AMB 25-1:3179 4.50 (# 3179:25 Double Ambig
)
&rst
ixpk= 3179, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1168,1840,1841,
igr2=1464,1465,1464,1465,
&end
#
# 79 LEU HG 99 TRP HB- 4.50 (# 3180:25 Unique 2.27, 3.42 A
)
&rst
ixpk= 3180, nxpk= 25, iat=1168, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1464,1465,
&end
#
# 101 LEU HB+ 99 TRP HB+ 4.50 (# 3181:25 Unique 4.01, 5.20 A
)
&rst
ixpk= 3181, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1505,1506,
igr2=1464,1465,
&end
#
# 101 LEU HB+ 99 TRP HB- 4.50 (# 3182:25 Unique 4.01, 5.20 A
)
&rst
ixpk= 3182, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1505,1506,
igr2=1464,1465,
&end
#
# 14 ARG HB- 99 TRP HB+ 4.50 (# 3183:25 Unique 4.92, 6.12 A
)
&rst
ixpk= 3183, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 231, 232,
igr2=1464,1465,
&end
#
# 122 ARG HD+ 99 TRP HB+ 5.50 (# 3184:25 Unique 2.23, 4.28 A
)
&rst
ixpk= 3184, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1843,1844,
igr2=1464,1465,
&end
#
# 99 TRP HA 99 TRP HB+ 4.50 (# 3185:25 Unique 2.37, 2.74 A
)
&rst
ixpk= 3185, nxpk= 25, iat=1462, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1464,1465,
&end
#
# 99 TRP HA 99 TRP HB- 3.50 (# 3186:25 Unique 2.37, 2.74 A
)
&rst
ixpk= 3186, nxpk= 25, iat=1462, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1464,1465,
&end
#
# 99 TRP HD1 99 TRP HB+ 5.50 (# 3187:25 Unique 2.50, 3.62 A
)
&rst
ixpk= 3187, nxpk= 25, iat=1468, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1464,1465,
&end
#
# 99 TRP HD1 99 TRP HB- 5.50 (# 3188:25 Unique 2.50, 3.62 A
)
&rst
ixpk= 3188, nxpk= 25, iat=1468, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1464,1465,
&end
#
# 99 TRP HN 99 TRP HB+ 3.50 (# 3191:25 Unique 2.40, 3.05 A
)
&rst
ixpk= 3191, nxpk= 25, iat=1460, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1464,1465,
&end
#
# 99 TRP HN 99 TRP HB- 4.50 (# 3192:25 Unique 2.40, 3.05 A
)
&rst
ixpk= 3192, nxpk= 25, iat=1460, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1464,1465,
&end
#
# 81 GLY HA- 100 GLN HA 3.50 (# 3193:25 Unique 2.00, 2.72 A
)
&rst
ixpk= 3193, nxpk= 25, iat= -1,1486, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1193,1194,
&end
#
# 100 GLN HB+ 100 GLN HG- 2.80 (# 3194:25 Unique 2.33, 2.77 A
)
&rst
ixpk= 3194, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1488,1489,
igr2=1491,1492,
&end
#
# 100 GLN HE2+ 100 GLN HG+ 5.50 (# 3195:25 Unique 2.29, 3.46 A
)
&rst
ixpk= 3195, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1496,1497,
igr2=1491,1492,
&end
#
# 100 GLN HE2+ 100 GLN HG- 5.50 (# 3196:25 Unique 2.29, 3.46 A
)
&rst
ixpk= 3196, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1496,1497,
igr2=1491,1492,
&end
#
# 100 GLN HN 100 GLN HG- 5.50 (# 3198:25 Unique 4.34, 4.48 A
)
&rst
ixpk= 3198, nxpk= 25, iat=1484, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1491,1492,
&end
#
# 102 GLU HG+ 101 LEU HA 4.50 (# 3199:25 Unique 3.47, 4.34 A
)
&rst
ixpk= 3199, nxpk= 25, iat= -1,1503, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1527,1528,
&end
#
# 102 GLU HB+ 101 LEU HA 4.50 (# 3200:25 Unique 4.47, 5.12 A
)
&rst
ixpk= 3200, nxpk= 25, iat= -1,1503, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1524,1525,
&end
#
# 0 AMB 25-2:3201 0 AMB 25-1:3201 4.50 (# 3201:25 Double Ambig
)
&rst
ixpk= 3201, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.02, r4= 8.77,
igr1=1786,1787,1788,1790,1791,1792,1551,1552,
igr2=1505,1506,1505,1506,
&end
#
# 103 ASP HB+ 101 LEU HB+ 4.50 (# 3202:25 Unique 6.07, 6.76 A
)
&rst
ixpk= 3202, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1539,1540,
igr2=1505,1506,
&end
#
# 0 AMB 25-2:3203 0 AMB 25-1:3203 4.50 (# 3203:25 Double Ambig
)
&rst
ixpk= 3203, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1193,1194, 229,
igr2=1505,1506,1505,1506,
&end
#
# 100 GLN HA 101 LEU HB+ 5.50 (# 3204:25 Unique 4.35, 5.11 A
)
&rst
ixpk= 3204, nxpk= 25, iat=1486, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1505,1506,
&end
#
# 0 AMB 25-2:3205 0 AMB 25-1:3205 4.50 (# 3205:25 Double Ambig
)
&rst
ixpk= 3205, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1718, 281,
igr2=1508, 855, 856,
&end
#
# 101 LEU HN 101 LEU HG 5.50 (# 3207:25 Unique 3.58, 4.69 A
)
&rst
ixpk= 3207, nxpk= 25, iat=1501,1508, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 119 VAL HN 101 LEU HG 5.50 (# 3208:25 Unique 3.60, 4.06 A
)
&rst
ixpk= 3208, nxpk= 25, iat=1780,1508, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 99 TRP HB- 101 LEU MDX 4.50 (# 3209:25 Unique 2.18, 4.94 A
)
&rst
ixpk= 3209, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1464,1465,
igr2=1510,1511,1512,1514,1515,1516,
&end
#
# 119 VAL HA 101 LEU MDX 4.50 (# 3210:25 Unique 3.21, 5.41 A
)
&rst
ixpk= 3210, nxpk= 25, iat=1782, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1510,1511,1512,1514,1515,1516,
&end
#
# 103 ASP HN 102 GLU HB+ 4.50 (# 3212:25 Unique 4.04, 4.34 A
)
&rst
ixpk= 3212, nxpk= 25, iat=1535, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1524,1525,
&end
#
# 103 ASP HN 102 GLU HB- 4.50 (# 3213:25 Unique 4.04, 4.34 A
)
&rst
ixpk= 3213, nxpk= 25, iat=1535, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1524,1525,
&end
#
# 111 VAL MGX 102 GLU HG+ 4.50 (# 3214:25 Unique 3.76, 5.89 A
)
&rst
ixpk= 3214, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1648,1649,1650,1652,1653,1654,
igr2=1527,1528,
&end
#
# 102 GLU HB- 102 GLU HG+ 2.80 (# 3215:25 Unique 2.25, 2.72 A
)
&rst
ixpk= 3215, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1524,1525,
igr2=1527,1528,
&end
#
# 0 AMB 25-2:3216 0 AMB 25-1:3216 2.80 (# 3216:25 Double Ambig
)
&rst
ixpk= 3216, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1297,1298,1524,1525,
igr2=1300,1301,1527,1528,
&end
#
# 105 ASP HN 103 ASP HA 5.50 (# 3217:25 Unique 3.76, 3.84 A
)
&rst
ixpk= 3217, nxpk= 25, iat=1561,1537, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 102 GLU HA 103 ASP HA 4.50 (# 3218:25 Unique 4.46, 4.54 A
)
&rst
ixpk= 3218, nxpk= 25, iat=1522,1537, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:3219 103 ASP HA 4.50 (# 3219:25 Single Ambig
)
&rst
ixpk= 3219, nxpk= 25, iat= -1,1537, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 229,1193,1194,
&end
#
# 0 AMB 25-2:3220 103 ASP HA 4.50 (# 3220:25 Single Ambig
)
&rst
ixpk= 3220, nxpk= 25, iat= -1,1537, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 231, 232,1524,1525,
&end
#
# 10 ARG HG+ 103 ASP HA 5.50 (# 3221:25 Unique 5.61, 6.17 A
)
&rst
ixpk= 3221, nxpk= 25, iat= -1,1537, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 174, 175,
&end
#
# 104 PRO HG- 103 ASP HA 4.50 (# 3222:25 Unique 4.32, 4.51 A
)
&rst
ixpk= 3222, nxpk= 25, iat= -1,1537, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1551,1552,
&end
#
# 104 PRO HG+ 103 ASP HA 4.50 (# 3223:25 Unique 4.32, 4.51 A
)
&rst
ixpk= 3223, nxpk= 25, iat= -1,1537, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1551,1552,
&end
#
# 0 AMB 25-2:3224 103 ASP HA 3.50 (# 3224:25 Single Ambig
)
&rst
ixpk= 3224, nxpk= 25, iat= -1,1537, r1= 0.00, r2= 1.80, r3= 5.43, r4= 6.18,
igr1=1722,1723,1724,1726,1727,1728,1722,1723,1724,1726,
1727,1728,1554,1555,
&end
#
# 107 GLN HE2- 104 PRO HA 5.50 (# 3226:25 Unique 3.58, 4.38 A
)
&rst
ixpk= 3226, nxpk= 25, iat= -1,1557, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1592,1593,
&end
#
# 104 PRO HG+ 104 PRO HA 5.50 (# 3227:25 Unique 2.72, 3.32 A
)
&rst
ixpk= 3227, nxpk= 25, iat= -1,1557, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1551,1552,
&end
#
# 104 PRO HG- 104 PRO HA 4.50 (# 3228:25 Unique 2.72, 3.32 A
)
&rst
ixpk= 3228, nxpk= 25, iat= -1,1557, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1551,1552,
&end
#
# 104 PRO HD+ 104 PRO HB+ 4.50 (# 3229:25 Unique 2.83, 3.72 A
)
&rst
ixpk= 3229, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1548,1549,
igr2=1554,1555,
&end
#
# 104 PRO HD+ 104 PRO HB- 4.50 (# 3230:25 Unique 2.83, 3.72 A
)
&rst
ixpk= 3230, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1548,1549,
igr2=1554,1555,
&end
#
# 112 PHE HD 104 PRO HB- 4.50 (# 3231:25 Unique 2.97, 4.22 A
)
&rst
ixpk= 3231, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1666,1674,
igr2=1554,1555,
&end
#
# 112 PHE HA 104 PRO HB+ 4.50 (# 3232:25 Unique 2.56, 3.62 A
)
&rst
ixpk= 3232, nxpk= 25, iat=1660, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1554,1555,
&end
#
# 112 PHE HA 104 PRO HB- 4.50 (# 3233:25 Unique 2.56, 3.62 A
)
&rst
ixpk= 3233, nxpk= 25, iat=1660, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1554,1555,
&end
#
# 0 AMB 25-2:3235 104 PRO HB- 5.50 (# 3235:25 Single Ambig
)
&rst
ixpk= 3235, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1584,1585,1587,1588,
igr2=1554,1555,
&end
#
# 0 AMB 25-2:3236 104 PRO HB- 5.50 (# 3236:25 Single Ambig
)
&rst
ixpk= 3236, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1587,1588,1646,
igr2=1554,1555,
&end
#
# 104 PRO HG+ 104 PRO HB+ 3.50 (# 3237:25 Unique 2.32, 2.61 A
)
&rst
ixpk= 3237, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1551,1552,
igr2=1554,1555,
&end
#
# 111 VAL MGX 104 PRO HB+ 3.50 (# 3238:25 Unique 3.77, 6.81 A
)
&rst
ixpk= 3238, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1648,1649,1650,1652,1653,1654,
igr2=1554,1555,
&end
#
# 111 VAL MGX 104 PRO HB- 4.50 (# 3239:25 Unique 3.77, 6.81 A
)
&rst
ixpk= 3239, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1648,1649,1650,1652,1653,1654,
igr2=1554,1555,
&end
#
# 104 PRO HB- 104 PRO HG+ 3.50 (# 3240:25 Unique 2.32, 2.61 A
)
&rst
ixpk= 3240, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1554,1555,
igr2=1551,1552,
&end
#
# 104 PRO HB- 104 PRO HG- 3.50 (# 3241:25 Unique 2.32, 2.61 A
)
&rst
ixpk= 3241, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1554,1555,
igr2=1551,1552,
&end
#
# 103 ASP HN 104 PRO HD+ 5.50 (# 3244:25 Unique 3.25, 4.07 A
)
&rst
ixpk= 3244, nxpk= 25, iat=1535, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1548,1549,
&end
#
# 105 ASP HN 104 PRO HD+ 4.50 (# 3245:25 Unique 3.45, 3.98 A
)
&rst
ixpk= 3245, nxpk= 25, iat=1561, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1548,1549,
&end
#
# 14 ARG HA 104 PRO HD+ 3.50 (# 3246:25 Unique 3.33, 3.95 A
)
&rst
ixpk= 3246, nxpk= 25, iat= 229, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1548,1549,
&end
#
# 102 GLU HA 104 PRO HD+ 4.50 (# 3247:25 Unique 4.72, 5.54 A
)
&rst
ixpk= 3247, nxpk= 25, iat=1522, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1548,1549,
&end
#
# 13 CYS HB- 104 PRO HD+ 3.50 (# 3248:25 Unique 2.05, 3.65 A
)
&rst
ixpk= 3248, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 220, 221,
igr2=1548,1549,
&end
#
# 105 ASP HB- 104 PRO HD+ 5.50 (# 3249:25 Unique 4.89, 6.08 A
)
&rst
ixpk= 3249, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1565,1566,
igr2=1548,1549,
&end
#
# 0 AMB 25-2:3250 0 AMB 25-1:3250 5.50 (# 3250:25 Double Ambig
)
&rst
ixpk= 3250, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.25, r4=11.00,
igr1= 290, 291, 292,1587,1588, 283, 284,
igr2=1548,1549,1548,1549,1548,1549,
&end
#
# 0 AMB 25-2:3251 0 AMB 25-1:3251 3.50 (# 3251:25 Double Ambig
)
&rst
ixpk= 3251, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 231, 232,1524,1525,
igr2=1548,1549,1548,1549,
&end
#
# 10 ARG HG+ 104 PRO HD+ 5.50 (# 3252:25 Unique 6.12, 7.21 A
)
&rst
ixpk= 3252, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 174, 175,
igr2=1548,1549,
&end
#
# 104 PRO HB- 104 PRO HD+ 4.50 (# 3253:25 Unique 2.83, 3.72 A
)
&rst
ixpk= 3253, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1554,1555,
igr2=1548,1549,
&end
#
# 0 AMB 25-2:3254 105 ASP HA 4.50 (# 3254:25 Single Ambig
)
&rst
ixpk= 3254, nxpk= 25, iat= -1,1563, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1575,1576,1557,
&end
#
# 112 PHE HZ 105 ASP HA 4.50 (# 3256:25 Unique 3.17, 3.63 A
)
&rst
ixpk= 3256, nxpk= 25, iat=1670,1563, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 107 GLN HN 105 ASP HA 4.50 (# 3257:25 Unique 3.99, 4.08 A
)
&rst
ixpk= 3257, nxpk= 25, iat=1580,1563, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 107 GLN HN 107 GLN HB+ 4.50 (# 3260:25 Unique 2.53, 3.12 A
)
&rst
ixpk= 3260, nxpk= 25, iat=1580, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1584,1585,
&end
#
# 104 PRO HA 107 GLN HB- 3.50 (# 3262:25 Unique 2.81, 3.43 A
)
&rst
ixpk= 3262, nxpk= 25, iat=1557, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1584,1585,
&end
#
# 104 PRO HA 107 GLN HB+ 4.50 (# 3263:25 Unique 2.81, 3.43 A
)
&rst
ixpk= 3263, nxpk= 25, iat=1557, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1584,1585,
&end
#
# 111 VAL MGY 107 GLN HB+ 3.50 (# 3264:25 Unique 2.56, 3.84 A
)
&rst
ixpk= 3264, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1648,1649,1650,1652,1653,1654,
igr2=1584,1585,
&end
#
# 111 VAL MGX 107 GLN HB+ 3.50 (# 3265:25 Unique 2.56, 3.84 A
)
&rst
ixpk= 3265, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1648,1649,1650,1652,1653,1654,
igr2=1584,1585,
&end
#
# 108 SER HN 107 GLN HG+ 4.50 (# 3266:25 Unique 4.40, 4.60 A
)
&rst
ixpk= 3266, nxpk= 25, iat=1597, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1587,1588,
&end
#
# 107 GLN HE2- 107 GLN HG+ 4.50 (# 3267:25 Unique 2.42, 3.08 A
)
&rst
ixpk= 3267, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1592,1593,
igr2=1587,1588,
&end
#
# 111 VAL MGY 107 GLN HG+ 3.50 (# 3268:25 Unique 2.30, 4.68 A
)
&rst
ixpk= 3268, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1648,1649,1650,1652,1653,1654,
igr2=1587,1588,
&end
#
# 109 LEU HN 108 SER HB+ 3.50 (# 3270:25 Unique 2.75, 3.33 A
)
&rst
ixpk= 3270, nxpk= 25, iat=1608, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1601,1602,
&end
#
# 0 AMB 25-2:3271 108 SER HB- 5.50 (# 3271:25 Single Ambig
)
&rst
ixpk= 3271, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1631,1632,1584,1585,
igr2=1601,1602,
&end
#
# 0 AMB 25-2:3272 108 SER HB- 5.50 (# 3272:25 Single Ambig
)
&rst
ixpk= 3272, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1612,1613,1615,
igr2=1601,1602,
&end
#
# 107 GLN HG+ 108 SER HB- 5.50 (# 3273:25 Unique 6.25, 7.28 A
)
&rst
ixpk= 3273, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1587,1588,
igr2=1601,1602,
&end
#
# 111 VAL MGY 108 SER HB- 5.50 (# 3274:25 Unique 2.34, 5.34 A
)
&rst
ixpk= 3274, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1648,1649,1650,1652,1653,1654,
igr2=1601,1602,
&end
#
# 109 LEU HN 109 LEU HB- 4.50 (# 3275:25 Unique 2.45, 3.05 A
)
&rst
ixpk= 3275, nxpk= 25, iat=1608, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1612,1613,
&end
#
# 110 GLU HN 109 LEU HB+ 3.50 (# 3276:25 Unique 2.76, 3.34 A
)
&rst
ixpk= 3276, nxpk= 25, iat=1627, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1612,1613,
&end
#
# 110 GLU HN 109 LEU HB- 4.50 (# 3277:25 Unique 2.76, 3.34 A
)
&rst
ixpk= 3277, nxpk= 25, iat=1627, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1612,1613,
&end
#
# 0 AMB 25-2:3280 0 AMB 25-1:3280 4.50 (# 3280:25 Double Ambig
)
&rst
ixpk= 3280, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1599, 729,
igr2=1612,1613,1612,1613,
&end
#
# 0 AMB 25-2:3281 109 LEU HB- 3.50 (# 3281:25 Single Ambig
)
&rst
ixpk= 3281, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1685,1686,1631,1632,
igr2=1612,1613,
&end
#
# 0 AMB 25-2:3282 0 AMB 25-1:3282 3.50 (# 3282:25 Double Ambig
)
&rst
ixpk= 3282, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1685,1686,1631,1632,
igr2=1612,1613,1612,1613,
&end
#
# 108 SER HA 109 LEU HG 5.50 (# 3283:25 Unique 4.02, 4.10 A
)
&rst
ixpk= 3283, nxpk= 25, iat=1599,1615, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 109 LEU HA 109 LEU HG 3.50 (# 3284:25 Unique 2.92, 3.00 A
)
&rst
ixpk= 3284, nxpk= 25, iat=1610,1615, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 109 LEU HA 109 LEU MDX 4.50 (# 3285:25 Unique 2.14, 3.81 A
)
&rst
ixpk= 3285, nxpk= 25, iat=1610, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1617,1618,1619,1621,1622,1623,
&end
#
# 112 PHE HD 109 LEU MDY 4.50 (# 3287:25 Unique 3.22, 6.79 A
)
&rst
ixpk= 3287, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1666,1674,
igr2=1617,1618,1619,1621,1622,1623,
&end
#
# 0 AMB 25-2:3288 109 LEU MDY 4.50 (# 3288:25 Single Ambig
)
&rst
ixpk= 3288, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1662,1663, 678,
igr2=1617,1618,1619,1621,1622,1623,
&end
#
# 111 VAL HN 110 GLU HB- 3.50 (# 3289:25 Unique 2.68, 3.25 A
)
&rst
ixpk= 3289, nxpk= 25, iat=1642, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1631,1632,
&end
#
# 111 VAL HN 110 GLU HB+ 3.50 (# 3290:25 Unique 2.68, 3.25 A
)
&rst
ixpk= 3290, nxpk= 25, iat=1642, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1631,1632,
&end
#
# 0 AMB 25-2:3291 111 VAL HA 4.50 (# 3291:25 Single Ambig
)
&rst
ixpk= 3291, nxpk= 25, iat= -1,1644, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1631,1632,1584,1585,1527,1528,
&end
#
# 112 PHE HN 111 VAL HA 5.50 (# 3292:25 Unique 3.59, 3.60 A
)
&rst
ixpk= 3292, nxpk= 25, iat=1658,1644, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 107 GLN HE2- 111 VAL MGX 5.50 (# 3293:25 Unique 3.96, 6.01 A
)
&rst
ixpk= 3293, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1592,1593,
igr2=1648,1649,1650,1652,1653,1654,
&end
#
# 107 GLN HE2+ 111 VAL MGX 5.50 (# 3294:25 Unique 3.96, 6.01 A
)
&rst
ixpk= 3294, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1592,1593,
igr2=1648,1649,1650,1652,1653,1654,
&end
#
# 111 VAL HN 111 VAL MGX 4.50 (# 3295:25 Unique 2.27, 3.87 A
)
&rst
ixpk= 3295, nxpk= 25, iat=1642, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1648,1649,1650,1652,1653,1654,
&end
#
# 108 SER HN 111 VAL MGX 5.50 (# 3296:25 Unique 3.07, 4.29 A
)
&rst
ixpk= 3296, nxpk= 25, iat=1597, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1648,1649,1650,1652,1653,1654,
&end
#
# 112 PHE HN 111 VAL MGX 5.50 (# 3297:25 Unique 3.41, 4.47 A
)
&rst
ixpk= 3297, nxpk= 25, iat=1658, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1648,1649,1650,1652,1653,1654,
&end
#
# 114 THR HN 111 VAL MGX 4.50 (# 3298:25 Unique 5.33, 6.16 A
)
&rst
ixpk= 3298, nxpk= 25, iat=1702, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1648,1649,1650,1652,1653,1654,
&end
#
# 115 VAL HN 111 VAL MGX 5.50 (# 3299:25 Unique 4.26, 5.83 A
)
&rst
ixpk= 3299, nxpk= 25, iat=1716, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1648,1649,1650,1652,1653,1654,
&end
#
# 34 SER HA 33 THR MG2 5.50 (# 3300:25 Unique 3.95, 5.06 A
)
&rst
ixpk= 3300, nxpk= 25, iat= 520, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 510, 511, 512,
&end
#
# 113 ARG HN 112 PHE HB+ 3.50 (# 3301:25 Unique 2.56, 2.82 A
)
&rst
ixpk= 3301, nxpk= 25, iat=1678, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1662,1663,
&end
#
# 113 ARG HN 112 PHE HB- 4.50 (# 3302:25 Unique 2.56, 2.82 A
)
&rst
ixpk= 3302, nxpk= 25, iat=1678, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1662,1663,
&end
#
# 109 LEU HA 112 PHE HB- 3.50 (# 3303:25 Unique 2.10, 2.89 A
)
&rst
ixpk= 3303, nxpk= 25, iat=1610, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1662,1663,
&end
#
# 49 MET HG+ 112 PHE HB+ 3.50 (# 3304:25 Unique 2.03, 3.33 A
)
&rst
ixpk= 3304, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 734, 735,
igr2=1662,1663,
&end
#
# 49 MET ME 112 PHE HB+ 4.50 (# 3305:25 Unique 2.19, 3.45 A
)
&rst
ixpk= 3305, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 738, 739, 740,
igr2=1662,1663,
&end
#
# 49 MET ME 112 PHE HB- 4.50 (# 3306:25 Unique 2.19, 3.45 A
)
&rst
ixpk= 3306, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 738, 739, 740,
igr2=1662,1663,
&end
#
# 109 LEU MDY 112 PHE HB+ 4.50 (# 3307:25 Unique 3.26, 5.76 A
)
&rst
ixpk= 3307, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1617,1618,1619,1621,1622,1623,
igr2=1662,1663,
&end
#
# 0 AMB 25-2:3308 0 AMB 25-1:3308 5.50 (# 3308:25 Double Ambig
)
&rst
ixpk= 3308, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.80, r4=10.55,
igr1=1554,1555,1722,1723,1724,1726,1727,1728,
igr2=1662,1663,1662,1663,
&end
#
# 0 AMB 25-2:3309 112 PHE HB- 4.50 (# 3309:25 Single Ambig
)
&rst
ixpk= 3309, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 680, 681, 682,1554,1555,
igr2=1662,1663,
&end
#
# 0 AMB 25-2:3310 0 AMB 25-1:3310 4.50 (# 3310:25 Double Ambig
)
&rst
ixpk= 3310, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 680, 681, 682,1554,1555,
igr2=1662,1663,1662,1663,
&end
#
# 0 AMB 25-2:3311 113 ARG HA 4.50 (# 3311:25 Single Ambig
)
&rst
ixpk= 3311, nxpk= 25, iat= -1,1680, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1662,1663,1742,1743,
&end
#
# 113 ARG HD- 113 ARG HA 5.50 (# 3312:25 Unique 4.25, 4.61 A
)
&rst
ixpk= 3312, nxpk= 25, iat= -1,1680, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1688,1689,
&end
#
# 113 ARG HN 113 ARG HG+ 4.50 (# 3316:25 Unique 2.19, 2.93 A
)
&rst
ixpk= 3316, nxpk= 25, iat=1678, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1685,1686,
&end
#
# 113 ARG HN 113 ARG HG- 3.50 (# 3317:25 Unique 2.19, 2.93 A
)
&rst
ixpk= 3317, nxpk= 25, iat=1678, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1685,1686,
&end
#
# 113 ARG HA 113 ARG HG+ 3.50 (# 3320:25 Unique 2.28, 2.62 A
)
&rst
ixpk= 3320, nxpk= 25, iat=1680, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1685,1686,
&end
#
# 113 ARG HG+ 113 ARG HD- 3.50 (# 3322:25 Unique 2.14, 2.64 A
)
&rst
ixpk= 3322, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1685,1686,
igr2=1688,1689,
&end
#
# 115 VAL HN 114 THR HA 4.50 (# 3325:25 Unique 3.60, 3.63 A
)
&rst
ixpk= 3325, nxpk= 25, iat=1716,1704, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:3326 114 THR HA 4.50 (# 3326:25 Single Ambig
)
&rst
ixpk= 3326, nxpk= 25, iat= -1,1704, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1756,1763,
&end
#
# 0 AMB 25-2:3327 114 THR HA 4.50 (# 3327:25 Single Ambig
)
&rst
ixpk= 3327, nxpk= 25, iat= -1,1704, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1682,1683,1767,1768,
&end
#
# 0 AMB 25-2:3328 114 THR HB 3.50 (# 3328:25 Single Ambig
)
&rst
ixpk= 3328, nxpk= 25, iat= -1,1706, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1722,1723,1724,1726,1727,1728,1722,1723,1724,1726,
1727,1728,
&end
#
# 111 VAL MGX 114 THR HB 4.50 (# 3329:25 Unique 4.01, 5.27 A
)
&rst
ixpk= 3329, nxpk= 25, iat= -1,1706, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1648,1649,1650,1652,1653,1654,
&end
#
# 0 AMB 25-2:3330 114 THR HB 5.50 (# 3330:25 Single Ambig
)
&rst
ixpk= 3330, nxpk= 25, iat= -1,1706, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=1720,1682,1683,1767,1768,
&end
#
# 0 AMB 25-2:3331 114 THR MG2 5.50 (# 3331:25 Single Ambig
)
&rst
ixpk= 3331, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1763,1756,
igr2=1708,1709,1710,
&end
#
# 114 THR HN 114 THR MG2 4.50 (# 3332:25 Unique 4.31, 4.41 A
)
&rst
ixpk= 3332, nxpk= 25, iat=1702, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1708,1709,1710,
&end
#
# 115 VAL HN 114 THR MG2 4.50 (# 3333:25 Unique 3.53, 4.32 A
)
&rst
ixpk= 3333, nxpk= 25, iat=1716, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1708,1709,1710,
&end
#
# 0 AMB 25-2:3334 0 AMB 25-1:3334 4.50 (# 3334:25 Double Ambig
)
&rst
ixpk= 3334, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1565,1566,1662,1663,
igr2= 171, 172,1720,
&end
#
# 114 THR HB 115 VAL MGY 4.50 (# 3338:25 Unique 3.06, 5.39 A
)
&rst
ixpk= 3338, nxpk= 25, iat=1706, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1722,1723,1724,1726,1727,1728,
&end
#
# 114 THR HN 115 VAL MGY 5.50 (# 3339:25 Unique 4.49, 6.36 A
)
&rst
ixpk= 3339, nxpk= 25, iat=1702, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1722,1723,1724,1726,1727,1728,
&end
#
# 102 GLU HN 115 VAL MGY 4.50 (# 3340:25 Unique 2.25, 3.86 A
)
&rst
ixpk= 3340, nxpk= 25, iat=1520, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1722,1723,1724,1726,1727,1728,
&end
#
# 0 AMB 25-2:3341 116 ARG HA 3.50 (# 3341:25 Single Ambig
)
&rst
ixpk= 3341, nxpk= 25, iat= -1,1734, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1756,1763,
&end
#
# 21 PHE HE 116 ARG HA 4.50 (# 3342:25 Unique 2.89, 4.96 A
)
&rst
ixpk= 3342, nxpk= 25, iat= -1,1734, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 338, 342,
&end
#
# 21 PHE HD 116 ARG HA 5.50 (# 3343:25 Unique 4.87, 6.43 A
)
&rst
ixpk= 3343, nxpk= 25, iat= -1,1734, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 336, 344,
&end
#
# 116 ARG HD+ 116 ARG HA 4.50 (# 3344:25 Unique 3.76, 4.37 A
)
&rst
ixpk= 3344, nxpk= 25, iat= -1,1734, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1742,1743,
&end
#
# 116 ARG HD- 116 ARG HA 4.50 (# 3345:25 Unique 3.76, 4.37 A
)
&rst
ixpk= 3345, nxpk= 25, iat= -1,1734, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1742,1743,
&end
#
# 116 ARG HN 116 ARG HB- 3.50 (# 3346:25 Unique 2.33, 2.49 A
)
&rst
ixpk= 3346, nxpk= 25, iat=1732, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1736,1737,
&end
#
# 116 ARG HA 116 ARG HB- 3.50 (# 3347:25 Unique 2.37, 2.75 A
)
&rst
ixpk= 3347, nxpk= 25, iat=1734, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1736,1737,
&end
#
# 116 ARG HB+ 116 ARG HG- 3.50 (# 3348:25 Unique 2.21, 2.65 A
)
&rst
ixpk= 3348, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1736,1737,
igr2=1739,1740,
&end
#
# 116 ARG HD- 116 ARG HG- 4.50 (# 3349:25 Unique 2.17, 2.54 A
)
&rst
ixpk= 3349, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1742,1743,
igr2=1739,1740,
&end
#
# 116 ARG HD+ 116 ARG HG- 4.50 (# 3350:25 Unique 2.17, 2.54 A
)
&rst
ixpk= 3350, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1742,1743,
igr2=1739,1740,
&end
#
# 116 ARG HA 116 ARG HG- 4.50 (# 3351:25 Unique 2.36, 2.99 A
)
&rst
ixpk= 3351, nxpk= 25, iat=1734, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1739,1740,
&end
#
# 116 ARG HB+ 116 ARG HD+ 4.50 (# 3352:25 Unique 2.58, 3.75 A
)
&rst
ixpk= 3352, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1736,1737,
igr2=1742,1743,
&end
#
# 116 ARG HG+ 116 ARG HD- 3.50 (# 3353:25 Unique 2.17, 2.54 A
)
&rst
ixpk= 3353, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1739,1740,
igr2=1742,1743,
&end
#
# 49 MET HB+ 116 ARG HD+ 4.50 (# 3354:25 Unique 2.17, 4.65 A
)
&rst
ixpk= 3354, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 731, 732,
igr2=1742,1743,
&end
#
# 53 VAL MGX 116 ARG HD- 4.50 (# 3355:25 Unique 2.30, 4.71 A
)
&rst
ixpk= 3355, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 797, 798, 799, 801, 802, 803,
igr2=1742,1743,
&end
#
# 116 ARG HB+ 116 ARG HD- 4.50 (# 3356:25 Unique 2.58, 3.75 A
)
&rst
ixpk= 3356, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1736,1737,
igr2=1742,1743,
&end
#
# 21 PHE HD 116 ARG HD+ 4.50 (# 3358:25 Unique 5.07, 5.87 A
)
&rst
ixpk= 3358, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 336, 344,
igr2=1742,1743,
&end
#
# 52 GLU HN 116 ARG HD+ 4.50 (# 3359:25 Unique 4.69, 5.54 A
)
&rst
ixpk= 3359, nxpk= 25, iat= 776, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1742,1743,
&end
#
# 52 GLU HN 116 ARG HD- 5.50 (# 3360:25 Unique 4.69, 5.54 A
)
&rst
ixpk= 3360, nxpk= 25, iat= 776, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1742,1743,
&end
#
# 21 PHE HD 116 ARG HD- 5.50 (# 3361:25 Unique 5.07, 5.87 A
)
&rst
ixpk= 3361, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 336, 344,
igr2=1742,1743,
&end
#
# 120 LYS HN 117 GLY HA+ 5.50 (# 3364:25 Unique 3.63, 4.22 A
)
&rst
ixpk= 3364, nxpk= 25, iat=1796, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1758,1759,
&end
#
# 120 LYS HN 117 GLY HA- 4.50 (# 3365:25 Unique 3.63, 4.22 A
)
&rst
ixpk= 3365, nxpk= 25, iat=1796, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1758,1759,
&end
#
# 0 AMB 25-2:3366 0 AMB 25-1:3366 3.50 (# 3366:25 Double Ambig
)
&rst
ixpk= 3366, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1800,1801,1806,1807,
igr2=1758,1759,1758,1759,
&end
#
# 120 LYS HB- 117 GLY HA+ 4.50 (# 3367:25 Unique 2.88, 4.37 A
)
&rst
ixpk= 3367, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1800,1801,
igr2=1758,1759,
&end
#
# 120 LYS HB- 117 GLY HA- 4.50 (# 3368:25 Unique 2.88, 4.37 A
)
&rst
ixpk= 3368, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1800,1801,
igr2=1758,1759,
&end
#
# 122 ARG HG+ 118 GLN HA 4.50 (# 3369:25 Unique 3.72, 4.94 A
)
&rst
ixpk= 3369, nxpk= 25, iat= -1,1765, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1840,1841,
&end
#
# 119 VAL HN 118 GLN HA 3.50 (# 3372:25 Unique 3.54, 3.55 A
)
&rst
ixpk= 3372, nxpk= 25, iat=1780,1765, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 119 VAL HN 118 GLN HB+ 4.50 (# 3373:25 Unique 2.41, 3.03 A
)
&rst
ixpk= 3373, nxpk= 25, iat=1780, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1767,1768,
&end
#
# 119 VAL HN 118 GLN HB- 4.50 (# 3374:25 Unique 2.41, 3.03 A
)
&rst
ixpk= 3374, nxpk= 25, iat=1780, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1767,1768,
&end
#
# 118 GLN HN 118 GLN HB+ 3.50 (# 3375:25 Unique 2.19, 3.01 A
)
&rst
ixpk= 3375, nxpk= 25, iat=1763, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1767,1768,
&end
#
# 118 GLN HA 118 GLN HB+ 3.50 (# 3376:25 Unique 2.48, 2.79 A
)
&rst
ixpk= 3376, nxpk= 25, iat=1765, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1767,1768,
&end
#
# 114 THR MG2 118 GLN HG+ 4.50 (# 3378:25 Unique 2.50, 4.58 A
)
&rst
ixpk= 3378, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1708,1709,1710,
igr2=1770,1771,
&end
#
# 0 AMB 25-2:3379 0 AMB 25-1:3379 4.50 (# 3379:25 Double Ambig
)
&rst
ixpk= 3379, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.30, r4=10.05,
igr1=1508,1722,1723,1724,1726,1727,1728,1722,1723,1724,
1726,1727,1728,
igr2=1770,1771,1770,1771,1770,1771,
&end
#
# 115 VAL HA 118 GLN HG+ 3.50 (# 3380:25 Unique 3.23, 4.26 A
)
&rst
ixpk= 3380, nxpk= 25, iat=1718, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1770,1771,
&end
#
# 118 GLN HE2- 118 GLN HG+ 4.50 (# 3381:25 Unique 2.20, 3.28 A
)
&rst
ixpk= 3381, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1775,1776,
igr2=1770,1771,
&end
#
# 118 GLN HE2- 118 GLN HG- 4.50 (# 3382:25 Unique 2.20, 3.28 A
)
&rst
ixpk= 3382, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1775,1776,
igr2=1770,1771,
&end
#
# 0 AMB 25-2:3384 118 GLN HG- 4.50 (# 3384:25 Single Ambig
)
&rst
ixpk= 3384, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.75, r4= 8.50,
igr1=1508,1722,1723,1724,1726,1727,1728,1722,1723,1724,
1726,1727,1728,
igr2=1770,1771,
&end
#
# 122 ARG HB- 119 VAL HA 4.50 (# 3385:25 Unique 2.37, 3.53 A
)
&rst
ixpk= 3385, nxpk= 25, iat= -1,1782, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1837,1838,
&end
#
# 123 VAL MGY 119 VAL HA 4.50 (# 3386:25 Unique 4.05, 6.48 A
)
&rst
ixpk= 3386, nxpk= 25, iat= -1,1782, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1863,1864,1865,1867,1868,1869,
&end
#
# 0 AMB 25-2:3387 119 VAL HA 5.50 (# 3387:25 Single Ambig
)
&rst
ixpk= 3387, nxpk= 25, iat= -1,1782, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1767,1768,1822,1823,
&end
#
# 122 ARG HD- 119 VAL HA 4.50 (# 3388:25 Unique 2.64, 3.58 A
)
&rst
ixpk= 3388, nxpk= 25, iat= -1,1782, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1843,1844,
&end
#
# 122 ARG HN 119 VAL HA 4.50 (# 3390:25 Unique 3.24, 3.48 A
)
&rst
ixpk= 3390, nxpk= 25, iat=1833,1782, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:3391 119 VAL HA 5.50 (# 3391:25 Single Ambig
)
&rst
ixpk= 3391, nxpk= 25, iat= -1,1782, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1763,1756,1888,
&end
#
# 120 LYS HN 119 VAL HA 4.50 (# 3392:25 Unique 3.59, 3.66 A
)
&rst
ixpk= 3392, nxpk= 25, iat=1796,1782, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 119 VAL HN 119 VAL HA 3.50 (# 3393:25 Unique 2.80, 2.84 A
)
&rst
ixpk= 3393, nxpk= 25, iat=1780,1782, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 120 LYS HN 119 VAL MGY 4.50 (# 3394:25 Unique 3.29, 4.60 A
)
&rst
ixpk= 3394, nxpk= 25, iat=1796, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1786,1787,1788,1790,1791,1792,
&end
#
# 21 PHE HB+ 120 LYS HA 4.50 (# 3396:25 Unique 3.12, 3.32 A
)
&rst
ixpk= 3396, nxpk= 25, iat= -1,1798, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 332, 333,
&end
#
# 123 VAL HA 120 LYS HA 5.50 (# 3397:25 Unique 5.24, 5.35 A
)
&rst
ixpk= 3397, nxpk= 25, iat=1859,1798, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 21 PHE HD 120 LYS HA 4.50 (# 3398:25 Unique 2.46, 4.01 A
)
&rst
ixpk= 3398, nxpk= 25, iat= -1,1798, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 336, 344,
&end
#
# 0 AMB 25-2:3399 120 LYS HA 3.50 (# 3399:25 Single Ambig
)
&rst
ixpk= 3399, nxpk= 25, iat= -1,1798, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1818, 338, 342,
&end
#
# 0 AMB 25-2:3400 120 LYS HA 3.50 (# 3400:25 Single Ambig
)
&rst
ixpk= 3400, nxpk= 25, iat= -1,1798, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1857,1873,
&end
#
# 120 LYS HN 120 LYS HB- 3.50 (# 3401:25 Unique 2.31, 2.51 A
)
&rst
ixpk= 3401, nxpk= 25, iat=1796, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1800,1801,
&end
#
# 0 AMB 25-2:3402 120 LYS HB- 3.50 (# 3402:25 Single Ambig
)
&rst
ixpk= 3402, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1818, 338, 342,
igr2=1800,1801,
&end
#
# 117 GLY HA+ 120 LYS HB+ 4.50 (# 3404:25 Unique 2.88, 4.37 A
)
&rst
ixpk= 3404, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1758,1759,
igr2=1800,1801,
&end
#
# 117 GLY HA- 120 LYS HB- 5.50 (# 3405:25 Unique 2.88, 4.37 A
)
&rst
ixpk= 3405, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1758,1759,
igr2=1800,1801,
&end
#
# 120 LYS HA 120 LYS HB+ 3.50 (# 3406:25 Unique 2.45, 2.78 A
)
&rst
ixpk= 3406, nxpk= 25, iat=1798, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1800,1801,
&end
#
# 120 LYS HG+ 120 LYS HB+ 3.50 (# 3407:25 Unique 2.46, 2.77 A
)
&rst
ixpk= 3407, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1803,1804,
igr2=1800,1801,
&end
#
# 124 GLU HG- 120 LYS HG+ 5.50 (# 3408:25 Unique 2.85, 4.07 A
)
&rst
ixpk= 3408, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1880,1881,
igr2=1803,1804,
&end
#
# 124 GLU HG- 120 LYS HG- 4.50 (# 3409:25 Unique 2.85, 4.07 A
)
&rst
ixpk= 3409, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1880,1881,
igr2=1803,1804,
&end
#
# 120 LYS HA 120 LYS HG- 4.50 (# 3410:25 Unique 2.57, 2.94 A
)
&rst
ixpk= 3410, nxpk= 25, iat=1798, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1803,1804,
&end
#
# 120 LYS HE- 120 LYS HG+ 3.50 (# 3411:25 Unique 2.49, 3.51 A
)
&rst
ixpk= 3411, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1809,1810,
igr2=1803,1804,
&end
#
# 120 LYS HE- 120 LYS HG- 4.50 (# 3412:25 Unique 2.49, 3.51 A
)
&rst
ixpk= 3412, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1809,1810,
igr2=1803,1804,
&end
#
# 0 AMB 25-2:3413 0 AMB 25-1:3413 5.50 (# 3413:25 Double Ambig
)
&rst
ixpk= 3413, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1818, 338, 342,
igr2=1803,1804,1803,1804,
&end
#
# 120 LYS HN 120 LYS HG+ 5.50 (# 3414:25 Unique 4.35, 4.48 A
)
&rst
ixpk= 3414, nxpk= 25, iat=1796, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1803,1804,
&end
#
# 120 LYS HA 120 LYS HD- 5.50 (# 3415:25 Unique 4.38, 4.65 A
)
&rst
ixpk= 3415, nxpk= 25, iat=1798, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1806,1807,
&end
#
# 120 LYS HA 120 LYS HD+ 5.50 (# 3416:25 Unique 4.38, 4.65 A
)
&rst
ixpk= 3416, nxpk= 25, iat=1798, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1806,1807,
&end
#
# 0 AMB 25-2:3417 0 AMB 25-1:3417 5.50 (# 3417:25 Double Ambig
)
&rst
ixpk= 3417, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1818, 338, 342,
igr2=1809,1810,1809,1810,
&end
#
# 125 ASN HN 121 GLU HA 5.50 (# 3418:25 Unique 3.89, 4.09 A
)
&rst
ixpk= 3418, nxpk= 25, iat=1888,1820, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:3419 121 GLU HA 4.50 (# 3419:25 Single Ambig
)
&rst
ixpk= 3419, nxpk= 25, iat= -1,1820, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1800,1801,1806,1807,
&end
#
# 120 LYS HG- 121 GLU HA 3.50 (# 3420:25 Unique 3.50, 4.38 A
)
&rst
ixpk= 3420, nxpk= 25, iat= -1,1820, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1803,1804,
&end
#
# 122 ARG HD+ 122 ARG HA 4.50 (# 3421:25 Unique 2.35, 4.39 A
)
&rst
ixpk= 3421, nxpk= 25, iat= -1,1835, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1843,1844,
&end
#
# 122 ARG HD- 122 ARG HA 4.50 (# 3422:25 Unique 2.35, 4.39 A
)
&rst
ixpk= 3422, nxpk= 25, iat= -1,1835, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1843,1844,
&end
#
# 125 ASN HD2- 122 ARG HA 5.50 (# 3424:25 Unique 2.78, 4.37 A
)
&rst
ixpk= 3424, nxpk= 25, iat= -1,1835, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1897,1898,
&end
#
# 126 LEU HN 122 ARG HA 5.50 (# 3425:25 Unique 3.75, 3.85 A
)
&rst
ixpk= 3425, nxpk= 25, iat=1902,1835, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:3426 122 ARG HA 3.50 (# 3426:25 Single Ambig
)
&rst
ixpk= 3426, nxpk= 25, iat= -1,1835, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1857,1873,
&end
#
# 122 ARG HN 122 ARG HB+ 3.50 (# 3427:25 Unique 2.33, 3.01 A
)
&rst
ixpk= 3427, nxpk= 25, iat=1833, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1837,1838,
&end
#
# 122 ARG HN 122 ARG HB- 3.50 (# 3428:25 Unique 2.33, 3.01 A
)
&rst
ixpk= 3428, nxpk= 25, iat=1833, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1837,1838,
&end
#
# 123 VAL HN 122 ARG HB+ 4.50 (# 3429:25 Unique 2.51, 3.31 A
)
&rst
ixpk= 3429, nxpk= 25, iat=1857, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1837,1838,
&end
#
# 123 VAL HN 122 ARG HB- 5.50 (# 3430:25 Unique 2.51, 3.31 A
)
&rst
ixpk= 3430, nxpk= 25, iat=1857, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1837,1838,
&end
#
# 122 ARG HA 122 ARG HB+ 4.50 (# 3431:25 Unique 2.37, 2.76 A
)
&rst
ixpk= 3431, nxpk= 25, iat=1835, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1837,1838,
&end
#
# 122 ARG HA 122 ARG HB- 4.50 (# 3432:25 Unique 2.37, 2.76 A
)
&rst
ixpk= 3432, nxpk= 25, iat=1835, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1837,1838,
&end
#
# 119 VAL HA 122 ARG HB- 5.50 (# 3433:25 Unique 2.37, 3.53 A
)
&rst
ixpk= 3433, nxpk= 25, iat=1782, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1837,1838,
&end
#
# 119 VAL HA 122 ARG HB+ 4.50 (# 3434:25 Unique 2.37, 3.53 A
)
&rst
ixpk= 3434, nxpk= 25, iat=1782, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1837,1838,
&end
#
# 122 ARG HD- 122 ARG HB+ 5.50 (# 3435:25 Unique 2.26, 2.91 A
)
&rst
ixpk= 3435, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1843,1844,
igr2=1837,1838,
&end
#
# 122 ARG HD+ 122 ARG HB- 4.50 (# 3436:25 Unique 2.26, 2.91 A
)
&rst
ixpk= 3436, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1843,1844,
igr2=1837,1838,
&end
#
# 122 ARG HD- 122 ARG HB- 5.50 (# 3437:25 Unique 2.26, 2.91 A
)
&rst
ixpk= 3437, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1843,1844,
igr2=1837,1838,
&end
#
# 122 ARG HG- 122 ARG HB- 4.50 (# 3441:25 Unique 2.21, 2.73 A
)
&rst
ixpk= 3441, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1840,1841,
igr2=1837,1838,
&end
#
# 122 ARG HG+ 122 ARG HB- 4.50 (# 3442:25 Unique 2.21, 2.73 A
)
&rst
ixpk= 3442, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1840,1841,
igr2=1837,1838,
&end
#
# 122 ARG HB- 122 ARG HG+ 3.50 (# 3443:25 Unique 2.21, 2.73 A
)
&rst
ixpk= 3443, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1837,1838,
igr2=1840,1841,
&end
#
# 122 ARG HB- 122 ARG HG- 3.50 (# 3444:25 Unique 2.21, 2.73 A
)
&rst
ixpk= 3444, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1837,1838,
igr2=1840,1841,
&end
#
# 122 ARG HD+ 122 ARG HG- 3.50 (# 3445:25 Unique 2.32, 2.76 A
)
&rst
ixpk= 3445, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1843,1844,
igr2=1840,1841,
&end
#
# 122 ARG HD- 122 ARG HG+ 3.50 (# 3446:25 Unique 2.32, 2.76 A
)
&rst
ixpk= 3446, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1843,1844,
igr2=1840,1841,
&end
#
# 122 ARG HD- 122 ARG HG- 3.50 (# 3447:25 Unique 2.32, 2.76 A
)
&rst
ixpk= 3447, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1843,1844,
igr2=1840,1841,
&end
#
# 122 ARG HA 122 ARG HG+ 3.50 (# 3448:25 Unique 2.49, 2.79 A
)
&rst
ixpk= 3448, nxpk= 25, iat=1835, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1840,1841,
&end
#
# 122 ARG HN 122 ARG HG+ 3.50 (# 3451:25 Unique 2.40, 3.22 A
)
&rst
ixpk= 3451, nxpk= 25, iat=1833, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1840,1841,
&end
#
# 122 ARG HN 122 ARG HG- 3.50 (# 3452:25 Unique 2.40, 3.22 A
)
&rst
ixpk= 3452, nxpk= 25, iat=1833, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1840,1841,
&end
#
# 127 ILE HN 126 LEU HB- 4.50 (# 3453:25 Unique 3.45, 3.93 A
)
&rst
ixpk= 3453, nxpk= 25, iat=1921, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1906,1907,
&end
#
# 6 PHE HE 126 LEU HB- 4.50 (# 3454:25 Unique 4.44, 6.49 A
)
&rst
ixpk= 3454, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 108, 112,
igr2=1906,1907,
&end
#
# 123 VAL HA 126 LEU HB- 3.50 (# 3455:25 Unique 2.99, 4.14 A
)
&rst
ixpk= 3455, nxpk= 25, iat=1859, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1906,1907,
&end
#
# 122 ARG HA 122 ARG HD- 4.50 (# 3456:25 Unique 2.35, 4.39 A
)
&rst
ixpk= 3456, nxpk= 25, iat=1835, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1843,1844,
&end
#
# 122 ARG HA 122 ARG HD+ 4.50 (# 3457:25 Unique 2.35, 4.39 A
)
&rst
ixpk= 3457, nxpk= 25, iat=1835, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1843,1844,
&end
#
# 0 AMB 25-2:3458 123 VAL HA 5.50 (# 3458:25 Single Ambig
)
&rst
ixpk= 3458, nxpk= 25, iat= -1,1859, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=1837,1838,1934,1935,1936,
&end
#
# 126 LEU HG 123 VAL HA 4.50 (# 3459:25 Unique 2.95, 3.03 A
)
&rst
ixpk= 3459, nxpk= 25, iat=1909,1859, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 22 ALA MB 123 VAL HA 5.50 (# 3460:25 Unique 4.54, 5.48 A
)
&rst
ixpk= 3460, nxpk= 25, iat= -1,1859, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 352, 353, 354,
&end
#
# 126 LEU HA 123 VAL HA 5.50 (# 3461:25 Unique 5.46, 5.57 A
)
&rst
ixpk= 3461, nxpk= 25, iat=1904,1859, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 99 TRP HZ2 123 VAL HA 5.50 (# 3462:25 Unique 3.50, 3.88 A
)
&rst
ixpk= 3462, nxpk= 25, iat=1473,1859, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 126 LEU HN 123 VAL HA 4.50 (# 3463:25 Unique 3.46, 3.50 A
)
&rst
ixpk= 3463, nxpk= 25, iat=1902,1859, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 122 ARG HN 123 VAL MGY 4.50 (# 3464:25 Unique 4.52, 6.35 A
)
&rst
ixpk= 3464, nxpk= 25, iat=1833, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1863,1864,1865,1867,1868,1869,
&end
#
# 127 ILE HG1+ 124 GLU HA 4.50 (# 3465:25 Unique 3.57, 4.41 A
)
&rst
ixpk= 3465, nxpk= 25, iat= -1,1875, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1931,1932,
&end
#
# 0 AMB 25-2:3466 124 GLU HA 4.50 (# 3466:25 Single Ambig
)
&rst
ixpk= 3466, nxpk= 25, iat= -1,1875, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 398, 399,1909,
&end
#
# 128 ALA HN 124 GLU HA 4.50 (# 3467:25 Unique 4.05, 4.11 A
)
&rst
ixpk= 3467, nxpk= 25, iat=1940,1875, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 126 LEU HN 124 GLU HA 4.50 (# 3468:25 Unique 4.33, 4.42 A
)
&rst
ixpk= 3468, nxpk= 25, iat=1902,1875, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 124 GLU HB- 124 GLU HG+ 2.80 (# 3469:25 Unique 2.44, 2.76 A
)
&rst
ixpk= 3469, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1877,1878,
igr2=1880,1881,
&end
#
# 124 GLU HB- 124 GLU HG- 2.80 (# 3472:25 Unique 2.44, 2.76 A
)
&rst
ixpk= 3472, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1877,1878,
igr2=1880,1881,
&end
#
# 120 LYS HG+ 124 GLU HG- 5.50 (# 3473:25 Unique 2.85, 4.07 A
)
&rst
ixpk= 3473, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1803,1804,
igr2=1880,1881,
&end
#
# 121 GLU HA 124 GLU HG- 3.50 (# 3474:25 Unique 3.61, 4.30 A
)
&rst
ixpk= 3474, nxpk= 25, iat=1820, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1880,1881,
&end
#
# 121 GLU HA 124 GLU HG+ 4.50 (# 3475:25 Unique 3.61, 4.30 A
)
&rst
ixpk= 3475, nxpk= 25, iat=1820, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1880,1881,
&end
#
# 125 ASN HD2+ 125 ASN HA 5.50 (# 3476:25 Unique 3.22, 3.82 A
)
&rst
ixpk= 3476, nxpk= 25, iat= -1,1890, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1897,1898,
&end
#
# 0 AMB 25-2:3477 0 AMB 25-1:3477 5.50 (# 3477:25 Double Ambig
)
&rst
ixpk= 3477, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1944,1945,1946,1909,
igr2=1892,1893,1892,1893,
&end
#
# 128 ALA MB 125 ASN HB- 5.50 (# 3478:25 Unique 4.49, 6.08 A
)
&rst
ixpk= 3478, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1944,1945,1946,
igr2=1892,1893,
&end
#
# 121 GLU HG- 125 ASN HB+ 5.50 (# 3479:25 Unique 3.45, 5.31 A
)
&rst
ixpk= 3479, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1825,1826,
igr2=1892,1893,
&end
#
# 121 GLU HG- 125 ASN HB- 5.50 (# 3480:25 Unique 3.45, 5.31 A
)
&rst
ixpk= 3480, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1825,1826,
igr2=1892,1893,
&end
#
# 125 ASN HD2+ 125 ASN HB+ 4.50 (# 3483:25 Unique 2.13, 3.30 A
)
&rst
ixpk= 3483, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1897,1898,
igr2=1892,1893,
&end
#
# 125 ASN HD2+ 125 ASN HB- 4.50 (# 3484:25 Unique 2.13, 3.30 A
)
&rst
ixpk= 3484, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1897,1898,
igr2=1892,1893,
&end
#
# 125 ASN HD2- 125 ASN HB+ 3.50 (# 3485:25 Unique 2.13, 3.30 A
)
&rst
ixpk= 3485, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1897,1898,
igr2=1892,1893,
&end
#
# 125 ASN HD2- 125 ASN HB- 3.50 (# 3486:25 Unique 2.13, 3.30 A
)
&rst
ixpk= 3486, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1897,1898,
igr2=1892,1893,
&end
#
# 129 LYS HN 129 LYS HA 2.80 (# 3487:25 Unique 2.86, 2.87 A
)
&rst
ixpk= 3487, nxpk= 25, iat=1950,1952, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 99 TRP HZ2 126 LEU HA 5.50 (# 3488:25 Unique 3.75, 4.71 A
)
&rst
ixpk= 3488, nxpk= 25, iat=1473,1904, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 129 LYS HE+ 126 LEU HA 4.50 (# 3489:25 Unique 2.09, 3.04 A
)
&rst
ixpk= 3489, nxpk= 25, iat= -1,1904, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1963,1964,
&end
#
# 125 ASN HB+ 126 LEU HA 5.50 (# 3490:25 Unique 4.00, 4.69 A
)
&rst
ixpk= 3490, nxpk= 25, iat= -1,1904, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1892,1893,
&end
#
# 122 ARG HB- 122 ARG HD- 3.50 (# 3491:25 Unique 2.26, 2.91 A
)
&rst
ixpk= 3491, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1837,1838,
igr2=1843,1844,
&end
#
# 122 ARG HB- 122 ARG HD+ 3.50 (# 3492:25 Unique 2.26, 2.91 A
)
&rst
ixpk= 3492, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1837,1838,
igr2=1843,1844,
&end
#
# 126 LEU HG 126 LEU HB- 3.50 (# 3493:25 Unique 2.54, 2.83 A
)
&rst
ixpk= 3493, nxpk= 25, iat=1909, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1906,1907,
&end
#
# 6 PHE HE 126 LEU HB+ 4.50 (# 3494:25 Unique 4.44, 6.49 A
)
&rst
ixpk= 3494, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 108, 112,
igr2=1906,1907,
&end
#
# 99 TRP HZ2 126 LEU HB+ 3.50 (# 3495:25 Unique 2.26, 2.91 A
)
&rst
ixpk= 3495, nxpk= 25, iat=1473, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1906,1907,
&end
#
# 126 LEU HA 126 LEU HG 3.50 (# 3496:25 Unique 3.59, 3.62 A
)
&rst
ixpk= 3496, nxpk= 25, iat=1904,1909, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 127 ILE HA 126 LEU HG 4.50 (# 3497:25 Unique 3.61, 3.70 A
)
&rst
ixpk= 3497, nxpk= 25, iat=1923,1909, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 123 VAL HA 126 LEU MDX 4.50 (# 3498:25 Unique 1.99, 4.09 A
)
&rst
ixpk= 3498, nxpk= 25, iat=1859, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1911,1912,1913,1915,1916,1917,
&end
#
# 126 LEU HA 126 LEU MDX 4.50 (# 3499:25 Unique 3.13, 4.56 A
)
&rst
ixpk= 3499, nxpk= 25, iat=1904, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1911,1912,1913,1915,1916,1917,
&end
#
# 126 LEU HN 126 LEU MDX 5.50 (# 3500:25 Unique 3.54, 4.81 A
)
&rst
ixpk= 3500, nxpk= 25, iat=1902, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1911,1912,1913,1915,1916,1917,
&end
#
# 127 ILE HN 126 LEU MDX 5.50 (# 3501:25 Unique 3.34, 4.33 A
)
&rst
ixpk= 3501, nxpk= 25, iat=1921, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1911,1912,1913,1915,1916,1917,
&end
#
# 129 LYS HE+ 126 LEU MDY 4.50 (# 3502:25 Unique 4.83, 7.00 A
)
&rst
ixpk= 3502, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1963,1964,
igr2=1911,1912,1913,1915,1916,1917,
&end
#
# 130 ILE HB 127 ILE HA 4.50 (# 3503:25 Unique 4.61, 4.63 A
)
&rst
ixpk= 3503, nxpk= 25, iat=1976,1923, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 126 LEU HB+ 127 ILE HA 5.50 (# 3504:25 Unique 5.35, 5.61 A
)
&rst
ixpk= 3504, nxpk= 25, iat= -1,1923, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1906,1907,
&end
#
# 126 LEU HN 127 ILE HB 5.50 (# 3506:25 Unique 4.51, 4.62 A
)
&rst
ixpk= 3506, nxpk= 25, iat=1902,1925, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:3507 127 ILE HB 4.50 (# 3507:25 Single Ambig
)
&rst
ixpk= 3507, nxpk= 25, iat= -1,1925, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1909,1944,1945,1946,
&end
#
# 0 AMB 25-2:3508 0 AMB 25-1:3508 4.50 (# 3508:25 Double Ambig
)
&rst
ixpk= 3508, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.02, r4= 8.77,
igr1=1863,1864,1865,1867,1868,1869, 469, 470,
igr2=1931,1932,1931,1932,
&end
#
# 29 LYS HG+ 127 ILE HG1+ 5.50 (# 3509:25 Unique 6.22, 7.95 A
)
&rst
ixpk= 3509, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 444, 445,
igr2=1931,1932,
&end
#
# 25 LEU HB- 127 ILE HG1+ 4.50 (# 3510:25 Unique 4.73, 5.11 A
)
&rst
ixpk= 3510, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 398, 399,
igr2=1931,1932,
&end
#
# 127 ILE HN 128 ALA MB 5.50 (# 3511:25 Unique 5.16, 5.65 A
)
&rst
ixpk= 3511, nxpk= 25, iat=1921, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1944,1945,1946,
&end
#
# 0 AMB 25-2:3512 129 LYS HA 3.50 (# 3512:25 Single Ambig
)
&rst
ixpk= 3512, nxpk= 25, iat= -1,1952, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1960,1961,1960,1961,
&end
#
# 127 ILE HN 126 LEU HA 3.50 (# 3513:25 Unique 3.57, 3.58 A
)
&rst
ixpk= 3513, nxpk= 25, iat=1921,1904, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 129 LYS HN 129 LYS HG+ 4.50 (# 3514:25 Unique 2.26, 3.02 A
)
&rst
ixpk= 3514, nxpk= 25, iat=1950, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1957,1958,
&end
#
# 129 LYS HA 129 LYS HG+ 3.50 (# 3515:25 Unique 2.55, 2.78 A
)
&rst
ixpk= 3515, nxpk= 25, iat=1952, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1957,1958,
&end
#
# 3 LYS HE+ 3 LYS HG- 4.50 (# 3516:25 Unique 2.36, 2.84 A
)
&rst
ixpk= 3516, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 56, 57,
igr2= 50, 51,
&end
#
# 130 ILE HG1+ 130 ILE HA 4.50 (# 3519:25 Unique 3.71, 3.77 A
)
&rst
ixpk= 3519, nxpk= 25, iat= -1,1974, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1982,1983,
&end
#
# 127 ILE HA 130 ILE HB 4.50 (# 3520:25 Unique 4.61, 4.63 A
)
&rst
ixpk= 3520, nxpk= 25, iat=1923,1976, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 127 ILE HA 130 ILE QD1 4.50 (# 3521:25 Unique 2.13, 2.99 A
)
&rst
ixpk= 3521, nxpk= 25, iat=1923, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1985,1986,1987,
&end
#
# 130 ILE HA 130 ILE QD1 4.50 (# 3522:25 Unique 4.84, 5.14 A
)
&rst
ixpk= 3522, nxpk= 25, iat=1974, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1985,1986,1987,
&end
#
# 0 AMB 25-2:3523 130 ILE QD1 5.50 (# 3523:25 Single Ambig
)
&rst
ixpk= 3523, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1993,1952,
igr2=1985,1986,1987,
&end
#
# 0 AMB 25-2:3524 130 ILE QD1 4.50 (# 3524:25 Single Ambig
)
&rst
ixpk= 3524, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1972,1940,
igr2=1985,1986,1987,
&end
#
# 130 ILE HG1+ 131 SER HA 5.50 (# 3525:25 Unique 3.46, 4.22 A
)
&rst
ixpk= 3525, nxpk= 25, iat= -1,1993, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1982,1983,
&end
#
# 0 AMB 25-2:3526 131 SER HA 4.50 (# 3526:25 Single Ambig
)
&rst
ixpk= 3526, nxpk= 25, iat= -1,1993, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1982,1983, 25, 26,
&end
#
# 0 AMB 25-2:3527 131 SER HA 4.50 (# 3527:25 Single Ambig
)
&rst
ixpk= 3527, nxpk= 25, iat= -1,1993, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 447, 448, 441, 442,
&end
#
# 29 LYS HE+ 131 SER HA 5.50 (# 3528:25 Unique 1.98, 2.95 A
)
&rst
ixpk= 3528, nxpk= 25, iat= -1,1993, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 450, 451,
&end
#
# 130 ILE HA 131 SER HB+ 5.50 (# 3529:25 Unique 5.43, 6.00 A
)
&rst
ixpk= 3529, nxpk= 25, iat=1974, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1995,1996,
&end
#
# 131 SER HA 131 SER HB+ 2.80 (# 3530:25 Unique 2.28, 2.77 A
)
&rst
ixpk= 3530, nxpk= 25, iat=1993, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1995,1996,
&end
#
# 127 ILE QG2 131 SER HB+ 4.50 (# 3531:25 Unique 3.86, 5.03 A
)
&rst
ixpk= 3531, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1927,1928,1929,
igr2=1995,1996,
&end
#
# 127 ILE QG2 131 SER HB- 3.50 (# 3532:25 Unique 3.86, 5.03 A
)
&rst
ixpk= 3532, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1927,1928,1929,
igr2=1995,1996,
&end
#
# 63 ASP HN 11 ASN HB+ 5.50 (# 3533:25 Unique 2.94, 3.81 A
)
&rst
ixpk= 3533, nxpk= 25, iat= 924, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 195, 196,
&end
#
# 85 ASN HD2+ 85 ASN HB- 5.50 (# 3534:25 Unique 2.37, 3.44 A
)
&rst
ixpk= 3534, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1241,1242,
igr2=1236,1237,
&end
#
# 85 ASN HD2+ 85 ASN HB+ 4.50 (# 3535:25 Unique 2.37, 3.44 A
)
&rst
ixpk= 3535, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1241,1242,
igr2=1236,1237,
&end
#
# 0 AMB 25-2:3536 112 PHE HA 4.50 (# 3536:25 Single Ambig
)
&rst
ixpk= 3536, nxpk= 25, iat= -1,1660, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 290, 291, 292,1584,1585,
&end
#
# 0 AMB 25-2:3537 7 VAL HA 5.50 (# 3537:25 Single Ambig
)
&rst
ixpk= 3537, nxpk= 25, iat= -1, 120, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1170,1171,1172,1174,1175,1176,1255,1256,1257,1259,
1260,1261,
&end
#
# 0 AMB 25-2:3538 30 ILE HA 3.50 (# 3538:25 Single Ambig
)
&rst
ixpk= 3538, nxpk= 25, iat= -1, 461, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1= 15, 16, 17, 8, 9,
&end
#
# 67 ASN HD2+ 67 ASN HB- 3.50 (# 3547:25 Unique 2.24, 3.16 A
)
&rst
ixpk= 3547, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 993, 994,
igr2= 988, 989,
&end
#
# 76 VAL MGX 5 MET HB+ 3.50 (# 3548:25 Unique 2.15, 4.19 A
)
&rst
ixpk= 3548, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1121,1122,1123,1125,1126,1127,
igr2= 85, 86,
&end
#
# 120 LYS HE+ 120 LYS HD- 3.50 (# 3549:25 Unique 2.35, 2.63 A
)
&rst
ixpk= 3549, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1809,1810,
igr2=1806,1807,
&end
#
# 99 TRP HB- 101 LEU HG 4.50 (# 3560:25 Unique 3.16, 4.99 A
)
&rst
ixpk= 3560, nxpk= 25, iat= -1,1508, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1464,1465,
&end
#
# 49 MET HG+ 109 LEU MDY 4.50 (# 3566:25 Unique 4.51, 7.33 A
)
&rst
ixpk= 3566, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 734, 735,
igr2=1617,1618,1619,1621,1622,1623,
&end
#
# 46 ALA HN 45 THR MG2 5.50 (# 3567:25 Unique 4.28, 5.03 A
)
&rst
ixpk= 3567, nxpk= 25, iat= 688, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 680, 681, 682,
&end
#
# 16 GLN HE2- 42 VAL MGY 4.50 (# 3568:25 Unique 2.99, 5.50 A
)
&rst
ixpk= 3568, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 274, 275,
igr2= 633, 634, 635, 637, 638, 639,
&end
#
# 52 GLU HN 53 VAL MGY 4.50 (# 3571:25 Unique 4.06, 6.04 A
)
&rst
ixpk= 3571, nxpk= 25, iat= 776, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 797, 798, 799, 801, 802, 803,
&end
#
# 54 GLY HN 53 VAL MGY 5.50 (# 3572:25 Unique 2.91, 4.80 A
)
&rst
ixpk= 3572, nxpk= 25, iat= 807, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 797, 798, 799, 801, 802, 803,
&end
#
# 0 AMB 25-2:3573 53 VAL MGY 5.50 (# 3573:25 Single Ambig
)
&rst
ixpk= 3573, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 778, 816,
igr2= 797, 798, 799, 801, 802, 803,
&end
#
# 108 SER HB+ 111 VAL MGX 5.50 (# 3574:25 Unique 2.34, 5.34 A
)
&rst
ixpk= 3574, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1601,1602,
igr2=1648,1649,1650,1652,1653,1654,
&end
#
# 0 AMB 25-2:3575 5 MET ME 4.50 (# 3575:25 Single Ambig
)
&rst
ixpk= 3575, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 83,1000,
igr2= 92, 93, 94,
&end
#
# 68 PHE HE 5 MET ME 4.50 (# 3576:25 Unique 4.24, 5.80 A
)
&rst
ixpk= 3576, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1008,1012,
igr2= 92, 93, 94,
&end
#
# 33 THR HN 5 MET ME 5.50 (# 3577:25 Unique 5.07, 5.94 A
)
&rst
ixpk= 3577, nxpk= 25, iat= 504, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 92, 93, 94,
&end
#
# 29 LYS HA 1 MET ME 4.50 (# 3578:25 Unique 2.79, 3.73 A
)
&rst
ixpk= 3578, nxpk= 25, iat= 439, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 15, 16, 17,
&end
#
# 21 PHE HE 50 MET ME 4.50 (# 3580:25 Unique 2.35, 4.01 A
)
&rst
ixpk= 3580, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 338, 342,
igr2= 755, 756, 757,
&end
#
# 0 AMB 25-2:3584 50 MET ME 5.50 (# 3584:25 Single Ambig
)
&rst
ixpk= 3584, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 332, 333, 286, 287, 371, 372,
igr2= 755, 756, 757,
&end
#
# 21 PHE HB- 50 MET ME 4.50 (# 3585:25 Unique 3.81, 5.11 A
)
&rst
ixpk= 3585, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 332, 333,
igr2= 755, 756, 757,
&end
#
# 17 MET HB+ 50 MET ME 4.50 (# 3586:25 Unique 3.95, 5.85 A
)
&rst
ixpk= 3586, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 283, 284,
igr2= 755, 756, 757,
&end
#
# 45 THR HN 44 PRO HD+ 5.50 (# 3590:25 Unique 2.41, 3.23 A
)
&rst
ixpk= 3590, nxpk= 25, iat= 674, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 661, 662,
&end
#
# 44 PRO HB+ 44 PRO HD+ 4.50 (# 3592:25 Unique 3.00, 3.75 A
)
&rst
ixpk= 3592, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 667, 668,
igr2= 661, 662,
&end
#
# 48 ALA HA 45 THR MG2 5.50 (# 3594:25 Unique 6.13, 6.89 A
)
&rst
ixpk= 3594, nxpk= 25, iat= 719, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 680, 681, 682,
&end
#
# 108 SER HA 45 THR MG2 5.50 (# 3595:25 Unique 5.64, 6.83 A
)
&rst
ixpk= 3595, nxpk= 25, iat=1599, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 680, 681, 682,
&end
#
# 90 TRP HA 70 ALA HA 5.50 (# 3597:25 Unique 4.03, 4.46 A
)
&rst
ixpk= 3597, nxpk= 25, iat=1310,1034, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 125 ASN HD2+ 121 GLU HG- 4.50 (# 3598:25 Unique 2.61, 4.75 A
)
&rst
ixpk= 3598, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1897,1898,
igr2=1825,1826,
&end
#
# 110 GLU HG+ 109 LEU HB- 5.50 (# 3601:25 Unique 3.40, 5.24 A
)
&rst
ixpk= 3601, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1634,1635,
igr2=1612,1613,
&end
#
# 8 CYS HB- 79 LEU MDX 4.50 (# 3606:25 Unique 2.85, 5.34 A
)
&rst
ixpk= 3606, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 138, 139,
igr2=1170,1171,1172,1174,1175,1176,
&end
#
# 119 VAL HA 79 LEU MDX 5.50 (# 3607:25 Unique 4.27, 6.44 A
)
&rst
ixpk= 3607, nxpk= 25, iat=1782, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1170,1171,1172,1174,1175,1176,
&end
#
# 21 PHE HD 123 VAL MGY 4.50 (# 3609:25 Unique 2.79, 6.08 A
)
&rst
ixpk= 3609, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 336, 344,
igr2=1863,1864,1865,1867,1868,1869,
&end
#
# 111 VAL HN 109 LEU HA 5.50 (# 3610:25 Unique 4.14, 4.22 A
)
&rst
ixpk= 3610, nxpk= 25, iat=1642,1610, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 110 GLU HN 109 LEU HA 4.50 (# 3611:25 Unique 3.55, 3.56 A
)
&rst
ixpk= 3611, nxpk= 25, iat=1627,1610, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 112 PHE HN 110 GLU HA 5.50 (# 3612:25 Unique 4.50, 4.63 A
)
&rst
ixpk= 3612, nxpk= 25, iat=1658,1629, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 111 VAL HN 112 PHE HA 5.50 (# 3613:25 Unique 5.14, 5.17 A
)
&rst
ixpk= 3613, nxpk= 25, iat=1642,1660, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 114 THR HN 113 ARG HA 4.50 (# 3614:25 Unique 3.63, 3.64 A
)
&rst
ixpk= 3614, nxpk= 25, iat=1702,1680, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 125 ASN HD2+ 122 ARG HA 5.50 (# 3615:25 Unique 2.78, 4.37 A
)
&rst
ixpk= 3615, nxpk= 25, iat= -1,1835, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1897,1898,
&end
#
# 17 MET HN 0 AMB 25-1:3616 4.50 (# 3616:25 Single Ambig
)
&rst
ixpk= 3616, nxpk= 25, iat= 279, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 229, 253,
&end
#
# 6 PHE HD 15 SER HA 5.50 (# 3617:25 Unique 3.79, 4.55 A
)
&rst
ixpk= 3617, nxpk= 25, iat= -1, 253, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 106, 114,
&end
#
# 16 GLN HN 0 AMB 25-1:3618 5.50 (# 3618:25 Single Ambig
)
&rst
ixpk= 3618, nxpk= 25, iat= 262, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 253, 229,
&end
#
# 0 AMB 25-2:3619 17 MET ME 5.50 (# 3619:25 Single Ambig
)
&rst
ixpk= 3619, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 729,1537,
igr2= 290, 291, 292,
&end
#
# 17 MET HN 17 MET ME 5.50 (# 3621:25 Unique 4.12, 5.01 A
)
&rst
ixpk= 3621, nxpk= 25, iat= 279, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 290, 291, 292,
&end
#
# 0 AMB 25-2:3623 17 MET ME 4.50 (# 3623:25 Single Ambig
)
&rst
ixpk= 3623, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 296, 744,
igr2= 290, 291, 292,
&end
#
# 0 AMB 25-2:3624 49 MET ME 5.50 (# 3624:25 Single Ambig
)
&rst
ixpk= 3624, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1702,1627,
igr2= 738, 739, 740,
&end
#
# 0 AMB 25-2:3625 1 MET ME 5.50 (# 3625:25 Single Ambig
)
&rst
ixpk= 3625, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 437, 21,
igr2= 15, 16, 17,
&end
#
# 31 ALA HN 1 MET ME 5.50 (# 3626:25 Unique 4.28, 5.34 A
)
&rst
ixpk= 3626, nxpk= 25, iat= 478, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 15, 16, 17,
&end
#
# 28 GLY HA- 1 MET ME 5.50 (# 3628:25 Unique 3.44, 5.16 A
)
&rst
ixpk= 3628, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 432, 433,
igr2= 15, 16, 17,
&end
#
# 31 ALA HA 1 MET ME 5.50 (# 3629:25 Unique 4.32, 5.57 A
)
&rst
ixpk= 3629, nxpk= 25, iat= 480, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 15, 16, 17,
&end
#
# 30 ILE HA 1 MET ME 5.50 (# 3630:25 Unique 2.96, 4.15 A
)
&rst
ixpk= 3630, nxpk= 25, iat= 461, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 15, 16, 17,
&end
#
# 30 ILE HN 1 MET ME 5.50 (# 3631:25 Unique 2.87, 4.28 A
)
&rst
ixpk= 3631, nxpk= 25, iat= 459, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 15, 16, 17,
&end
#
# 50 MET HN 48 ALA MB 5.50 (# 3632:25 Unique 5.11, 5.64 A
)
&rst
ixpk= 3632, nxpk= 25, iat= 744, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 721, 722, 723,
&end
#
# 51 GLU HN 48 ALA MB 5.50 (# 3633:25 Unique 5.29, 5.49 A
)
&rst
ixpk= 3633, nxpk= 25, iat= 761, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 721, 722, 723,
&end
#
# 28 GLY HN 27 ALA MB 5.50 (# 3634:25 Unique 3.39, 4.09 A
)
&rst
ixpk= 3634, nxpk= 25, iat= 430, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 424, 425, 426,
&end
#
# 28 GLY HN 1 MET ME 5.50 (# 3635:25 Unique 3.03, 4.05 A
)
&rst
ixpk= 3635, nxpk= 25, iat= 430, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 15, 16, 17,
&end
#
# 85 ASN HD2+ 85 ASN HA 5.50 (# 3636:25 Unique 2.16, 3.43 A
)
&rst
ixpk= 3636, nxpk= 25, iat= -1,1234, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1241,1242,
&end
#
# 18 ALA HN 17 MET HB+ 4.50 (# 3637:25 Unique 2.45, 3.01 A
)
&rst
ixpk= 3637, nxpk= 25, iat= 296, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 283, 284,
&end
#
# 35 CYS HN 7 VAL MGY 5.50 (# 3638:25 Unique 3.68, 5.27 A
)
&rst
ixpk= 3638, nxpk= 25, iat= 529, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 124, 125, 126, 128, 129, 130,
&end
#
# 18 ALA HN 0 AMB 25-1:3639 4.50 (# 3639:25 Single Ambig
)
&rst
ixpk= 3639, nxpk= 25, iat= 296, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 253, 229,
&end
#
# 21 PHE HE 120 LYS HD- 4.50 (# 3642:25 Unique 2.91, 4.69 A
)
&rst
ixpk= 3642, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 338, 342,
igr2=1806,1807,
&end
#
# 21 PHE HE 120 LYS HD+ 4.50 (# 3643:25 Unique 2.91, 4.69 A
)
&rst
ixpk= 3643, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 338, 342,
igr2=1806,1807,
&end
#
# 3 LYS HN 31 ALA MB 5.50 (# 3645:25 Unique 5.07, 6.46 A
)
&rst
ixpk= 3645, nxpk= 25, iat= 43, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 482, 483, 484,
&end
#
# 0 AMB 25-2:3646 121 GLU HA 2.80 (# 3646:25 Single Ambig
)
&rst
ixpk= 3646, nxpk= 25, iat= -1,1820, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1822,1823,1877,1878,
&end
#
# 17 MET ME 101 LEU HB+ 5.50 (# 3651:25 Unique 6.28, 7.33 A
)
&rst
ixpk= 3651, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 290, 291, 292,
igr2=1505,1506,
&end
#
# 90 TRP HB+ 7 VAL MGX 5.50 (# 3652:25 Unique 2.78, 5.34 A
)
&rst
ixpk= 3652, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1312,1313,
igr2= 124, 125, 126, 128, 129, 130,
&end
#
# 0 AMB 25-2:3653 4 VAL MGY 5.50 (# 3653:25 Single Ambig
)
&rst
ixpk= 3653, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1131,1115,
igr2= 71, 72, 73, 75, 76, 77,
&end
#
# 114 THR HN 115 VAL HB 5.50 (# 3654:25 Unique 4.78, 4.85 A
)
&rst
ixpk= 3654, nxpk= 25, iat=1702,1720, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:3655 0 AMB 25-1:3655 4.50 (# 3655:25 Double Ambig
)
&rst
ixpk= 3655, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 721, 722, 723, 365, 366,
igr2= 690, 350,
&end
#
# 0 AMB 25-2:3657 34 SER HB- 5.50 (# 3657:25 Single Ambig
)
&rst
ixpk= 3657, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 200, 201, 306,
igr2= 522, 523,
&end
#
# 5 MET HN 75 VAL HB 5.50 (# 3658:25 Unique 3.26, 5.39 A
)
&rst
ixpk= 3658, nxpk= 25, iat= 81,1103, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 31 ALA MB 1 MET HG+ 5.50 (# 3659:25 Unique 3.20, 4.66 A
)
&rst
ixpk= 3659, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 482, 483, 484,
igr2= 11, 12,
&end
#
# 31 ALA MB 1 MET HG- 5.50 (# 3660:25 Unique 3.20, 4.66 A
)
&rst
ixpk= 3660, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 482, 483, 484,
igr2= 11, 12,
&end
#
# 68 PHE HN 67 ASN HB- 5.50 (# 3661:25 Unique 2.82, 3.88 A
)
&rst
ixpk= 3661, nxpk= 25, iat= 998, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 988, 989,
&end
#
# 68 PHE HN 67 ASN HB+ 5.50 (# 3662:25 Unique 2.82, 3.88 A
)
&rst
ixpk= 3662, nxpk= 25, iat= 998, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 988, 989,
&end
#
# 74 ASP HB- 2 LYS HG- 5.50 (# 3666:25 Unique 4.84, 5.31 A
)
&rst
ixpk= 3666, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1091,1092,
igr2= 28, 29,
&end
#
# 0 AMB 25-2:3667 0 AMB 25-1:3667 3.50 (# 3667:25 Double Ambig
)
&rst
ixpk= 3667, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 465, 466, 467,1978,1979,1980,
igr2= 28, 29, 28, 29,
&end
#
# 130 ILE QD1 2 LYS HG+ 4.50 (# 3668:25 Unique 3.12, 5.30 A
)
&rst
ixpk= 3668, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1985,1986,1987,
igr2= 28, 29,
&end
#
# 114 THR HB 111 VAL MGX 5.50 (# 3673:25 Unique 4.01, 5.27 A
)
&rst
ixpk= 3673, nxpk= 25, iat=1706, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1648,1649,1650,1652,1653,1654,
&end
#
# 90 TRP HA 7 VAL MGY 5.50 (# 3676:25 Unique 5.10, 7.34 A
)
&rst
ixpk= 3676, nxpk= 25, iat=1310, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 124, 125, 126, 128, 129, 130,
&end
#
# 77 ILE QG2 77 ILE HG1- 4.50 (# 3678:25 Unique 2.29, 3.45 A
)
&rst
ixpk= 3678, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1137,1138,1139,
igr2=1141,1142,
&end
#
# 77 ILE QG2 77 ILE HG1+ 3.50 (# 3679:25 Unique 2.29, 3.45 A
)
&rst
ixpk= 3679, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1137,1138,1139,
igr2=1141,1142,
&end
#
# 125 ASN HA 0 AMB 25-1:3680 5.50 (# 3680:25 Single Ambig
)
&rst
ixpk= 3680, nxpk= 25, iat=1890, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1877,1878,1822,1823,
&end
#
# 34 SER HA 33 THR HA 5.50 (# 3683:25 Unique 4.39, 4.45 A
)
&rst
ixpk= 3683, nxpk= 25, iat= 520, 506, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:3686 75 VAL MGX 4.50 (# 3686:25 Single Ambig
)
&rst
ixpk= 3686, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1906,1907,1383,1384,
igr2=1105,1106,1107,1109,1110,1111,
&end
#
# 104 PRO HB- 17 MET ME 5.50 (# 3687:25 Unique 3.16, 4.27 A
)
&rst
ixpk= 3687, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1554,1555,
igr2= 290, 291, 292,
&end
#
# 100 GLN HB+ 81 GLY HA+ 5.50 (# 3690:25 Unique 2.19, 4.54 A
)
&rst
ixpk= 3690, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1488,1489,
igr2=1193,1194,
&end
#
# 120 LYS HA 123 VAL MGY 3.50 (# 3694:25 Unique 2.96, 4.30 A
)
&rst
ixpk= 3694, nxpk= 25, iat=1798, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1863,1864,1865,1867,1868,1869,
&end
#
# 120 LYS HA 18 ALA MB 5.50 (# 3695:25 Unique 5.08, 5.82 A
)
&rst
ixpk= 3695, nxpk= 25, iat=1798, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 300, 301, 302,
&end
#
# 11 ASN HB- 8 CYS HB+ 5.50 (# 3697:25 Unique 3.53, 6.20 A
)
&rst
ixpk= 3697, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 195, 196,
igr2= 138, 139,
&end
#
# 79 LEU HB- 8 CYS HB- 3.50 (# 3698:25 Unique 2.07, 3.71 A
)
&rst
ixpk= 3698, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1165,1166,
igr2= 138, 139,
&end
#
# 79 LEU HB+ 8 CYS HB- 5.50 (# 3699:25 Unique 2.07, 3.71 A
)
&rst
ixpk= 3699, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1165,1166,
igr2= 138, 139,
&end
#
# 21 PHE HA 123 VAL MGX 4.50 (# 3702:25 Unique 4.74, 6.17 A
)
&rst
ixpk= 3702, nxpk= 25, iat= 330, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1863,1864,1865,1867,1868,1869,
&end
#
# 42 VAL MGY 62 SER HB- 4.50 (# 3703:25 Unique 2.20, 5.51 A
)
&rst
ixpk= 3703, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 633, 634, 635, 637, 638, 639,
igr2= 917, 918,
&end
#
# 68 PHE HB- 5 MET ME 4.50 (# 3704:25 Unique 2.20, 3.53 A
)
&rst
ixpk= 3704, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1002,1003,
igr2= 92, 93, 94,
&end
#
# 73 TYR HB- 5 MET ME 5.50 (# 3705:25 Unique 3.79, 5.46 A
)
&rst
ixpk= 3705, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1070,1071,
igr2= 92, 93, 94,
&end
#
# 73 TYR HB+ 5 MET ME 5.50 (# 3706:25 Unique 3.79, 5.46 A
)
&rst
ixpk= 3706, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1070,1071,
igr2= 92, 93, 94,
&end
#
# 45 THR HN 44 PRO HD- 5.50 (# 3707:25 Unique 2.41, 3.23 A
)
&rst
ixpk= 3707, nxpk= 25, iat= 674, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 661, 662,
&end
#
# 3 LYS HN 3 LYS HE+ 5.50 (# 3711:25 Unique 4.08, 5.84 A
)
&rst
ixpk= 3711, nxpk= 25, iat= 43, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 56, 57,
&end
#
# 0 AMB 25-2:3713 0 AMB 25-1:3713 5.50 (# 3713:25 Double Ambig
)
&rst
ixpk= 3713, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 45, 461,
igr2= 56, 57, 56, 57,
&end
#
# 67 ASN HD2- 64 PRO HG- 5.50 (# 3714:25 Unique 2.57, 5.65 A
)
&rst
ixpk= 3714, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 993, 994,
igr2= 940, 941,
&end
#
# 4 VAL HN 31 ALA MB 5.50 (# 3715:25 Unique 4.27, 5.10 A
)
&rst
ixpk= 3715, nxpk= 25, iat= 65, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 482, 483, 484,
&end
#
# 60 GLN HN 57 ILE HA 5.50 (# 3716:25 Unique 3.24, 3.46 A
)
&rst
ixpk= 3716, nxpk= 25, iat= 882, 847, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 130 ILE HA 131 SER HB- 5.50 (# 3721:25 Unique 5.43, 6.00 A
)
&rst
ixpk= 3721, nxpk= 25, iat=1974, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1995,1996,
&end
#
# 76 VAL HN 75 VAL MGX 4.50 (# 3722:25 Unique 2.42, 4.34 A
)
&rst
ixpk= 3722, nxpk= 25, iat=1115, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1105,1106,1107,1109,1110,1111,
&end
#
# 11 ASN HD2- 11 ASN HA 4.50 (# 3724:25 Unique 2.32, 4.34 A
)
&rst
ixpk= 3724, nxpk= 25, iat= -1, 193, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 200, 201,
&end
#
# 86 LEU HN 86 LEU MDY 5.50 (# 3725:25 Unique 3.10, 4.22 A
)
&rst
ixpk= 3725, nxpk= 25, iat=1246, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1255,1256,1257,1259,1260,1261,
&end
#
# 85 ASN HN 84 VAL MGX 5.50 (# 3726:25 Unique 2.19, 4.02 A
)
&rst
ixpk= 3726, nxpk= 25, iat=1232, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1222,1223,1224,1226,1227,1228,
&end
#
# 7 VAL HN 79 LEU MDX 5.50 (# 3727:25 Unique 1.99, 4.47 A
)
&rst
ixpk= 3727, nxpk= 25, iat= 118, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1170,1171,1172,1174,1175,1176,
&end
#
# 79 LEU HN 79 LEU MDX 4.50 (# 3729:25 Unique 2.53, 4.60 A
)
&rst
ixpk= 3729, nxpk= 25, iat=1161, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1170,1171,1172,1174,1175,1176,
&end
#
# 9 LYS HG- 80 CYS HA 5.50 (# 3731:25 Unique 2.14, 3.29 A
)
&rst
ixpk= 3731, nxpk= 25, iat= -1,1182, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 152, 153,
&end
#
# 79 LEU HG 79 LEU MDX 2.80 (# 3732:25 Unique 2.30, 2.64 A
)
&rst
ixpk= 3732, nxpk= 25, iat=1168, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1170,1171,1172,1174,1175,1176,
&end
#
# 14 ARG HA 119 VAL MGY 4.50 (# 3733:25 Unique 3.00, 4.42 A
)
&rst
ixpk= 3733, nxpk= 25, iat= 229, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1786,1787,1788,1790,1791,1792,
&end
#
# 21 PHE HB+ 119 VAL MGY 5.50 (# 3734:25 Unique 4.05, 7.24 A
)
&rst
ixpk= 3734, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 332, 333,
igr2=1786,1787,1788,1790,1791,1792,
&end
#
# 10 ARG HA 38 GLU HB- 5.50 (# 3735:25 Unique 3.05, 4.20 A
)
&rst
ixpk= 3735, nxpk= 25, iat= 169, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 570, 571,
&end
#
# 12 SER HA 16 GLN HG+ 5.50 (# 3743:25 Unique 2.21, 3.04 A
)
&rst
ixpk= 3743, nxpk= 25, iat= 207, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 269, 270,
&end
#
# 95 ILE HG1+ 95 ILE QG2 3.50 (# 3744:25 Unique 2.73, 3.67 A
)
&rst
ixpk= 3744, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1404,1405,
igr2=1400,1401,1402,
&end
#
# 95 ILE HG1- 95 ILE QG2 3.50 (# 3745:25 Unique 2.73, 3.67 A
)
&rst
ixpk= 3745, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1404,1405,
igr2=1400,1401,1402,
&end
#
# 22 ALA HN 123 VAL MGY 5.50 (# 3746:25 Unique 2.63, 3.95 A
)
&rst
ixpk= 3746, nxpk= 25, iat= 348, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1863,1864,1865,1867,1868,1869,
&end
#
# 26 GLY HN 23 LYS HA 4.50 (# 3747:25 Unique 3.40, 3.45 A
)
&rst
ixpk= 3747, nxpk= 25, iat= 413, 360, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 63 ASP HB- 65 ILE HA 5.50 (# 3749:25 Unique 5.46, 6.61 A
)
&rst
ixpk= 3749, nxpk= 25, iat= -1, 952, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 928, 929,
&end
#
# 91 VAL HN 88 PRO HB- 5.50 (# 3750:25 Unique 4.22, 5.53 A
)
&rst
ixpk= 3750, nxpk= 25, iat=1332, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1286,1287,
&end
#
# 31 ALA HN 1 MET HG- 4.50 (# 3751:25 Unique 2.94, 3.53 A
)
&rst
ixpk= 3751, nxpk= 25, iat= 478, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 11, 12,
&end
#
# 91 VAL MGY 88 PRO HD- 5.50 (# 3762:25 Unique 4.46, 7.15 A
)
&rst
ixpk= 3762, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1338,1339,1340,1342,1343,1344,
igr2=1280,1281,
&end
#
# 7 VAL MGX 88 PRO HD- 5.50 (# 3763:25 Unique 5.26, 7.78 A
)
&rst
ixpk= 3763, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 124, 125, 126, 128, 129, 130,
igr2=1280,1281,
&end
#
# 0 AMB 25-2:3765 88 PRO HD- 5.50 (# 3765:25 Single Ambig
)
&rst
ixpk= 3765, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1253, 554,
igr2=1280,1281,
&end
#
# 90 TRP HN 88 PRO HD+ 5.50 (# 3767:25 Unique 4.30, 5.02 A
)
&rst
ixpk= 3767, nxpk= 25, iat=1308, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1280,1281,
&end
#
# 90 TRP HN 88 PRO HD- 5.50 (# 3768:25 Unique 4.30, 5.02 A
)
&rst
ixpk= 3768, nxpk= 25, iat=1308, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1280,1281,
&end
#
# 86 LEU HN 88 PRO HD+ 5.50 (# 3769:25 Unique 4.87, 5.84 A
)
&rst
ixpk= 3769, nxpk= 25, iat=1246, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1280,1281,
&end
#
# 86 LEU HN 88 PRO HD- 5.50 (# 3770:25 Unique 4.87, 5.84 A
)
&rst
ixpk= 3770, nxpk= 25, iat=1246, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1280,1281,
&end
#
# 90 TRP HE1 88 PRO HD- 5.50 (# 3772:25 Unique 5.62, 6.04 A
)
&rst
ixpk= 3772, nxpk= 25, iat=1318, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1280,1281,
&end
#
# 93 GLN HE2- 89 GLU HA 4.50 (# 3773:25 Unique 3.71, 4.83 A
)
&rst
ixpk= 3773, nxpk= 25, iat= -1,1295, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1374,1375,
&end
#
# 89 GLU HN 0 AMB 25-1:3777 4.50 (# 3777:25 Single Ambig
)
&rst
ixpk= 3777, nxpk= 25, iat=1293, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2=1300,1301,1300,1301,
&end
#
# 89 GLU HN 90 TRP HA 5.50 (# 3778:25 Unique 4.68, 5.20 A
)
&rst
ixpk= 3778, nxpk= 25, iat=1293,1310, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 70 ALA MB 90 TRP HB+ 5.50 (# 3787:25 Unique 2.98, 4.56 A
)
&rst
ixpk= 3787, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1036,1037,1038,
igr2=1312,1313,
&end
#
# 88 PRO HD+ 90 TRP HB- 5.50 (# 3791:25 Unique 3.60, 5.55 A
)
&rst
ixpk= 3791, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1280,1281,
igr2=1312,1313,
&end
#
# 96 PHE HB+ 91 VAL HB 5.50 (# 3798:25 Unique 5.05, 6.08 A
)
&rst
ixpk= 3798, nxpk= 25, iat= -1,1336, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1417,1418,
&end
#
# 103 ASP HA 104 PRO HB+ 5.50 (# 3800:25 Unique 4.98, 5.37 A
)
&rst
ixpk= 3800, nxpk= 25, iat=1537, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1554,1555,
&end
#
# 0 AMB 25-2:3801 91 VAL HB 5.50 (# 3801:25 Single Ambig
)
&rst
ixpk= 3801, nxpk= 25, iat= -1,1336, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1236,1237,1417,1418,
&end
#
# 92 THR MG2 91 VAL HB 4.50 (# 3802:25 Unique 3.34, 5.74 A
)
&rst
ixpk= 3802, nxpk= 25, iat= -1,1336, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1354,1355,1356,
&end
#
# 34 SER HA 7 VAL MGX 5.50 (# 3806:25 Unique 4.66, 6.53 A
)
&rst
ixpk= 3806, nxpk= 25, iat= 520, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 124, 125, 126, 128, 129, 130,
&end
#
# 0 AMB 25-2:3807 7 VAL MGX 5.50 (# 3807:25 Single Ambig
)
&rst
ixpk= 3807, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 542, 543, 136,
igr2= 124, 125, 126, 128, 129, 130,
&end
#
# 0 AMB 25-2:3809 7 VAL MGX 5.50 (# 3809:25 Single Ambig
)
&rst
ixpk= 3809, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1133,1248,
igr2= 124, 125, 126, 128, 129, 130,
&end
#
# 65 ILE HA 7 VAL MGX 5.50 (# 3810:25 Unique 3.94, 5.88 A
)
&rst
ixpk= 3810, nxpk= 25, iat= 952, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 124, 125, 126, 128, 129, 130,
&end
#
# 0 AMB 25-2:3812 0 AMB 25-1:3812 5.50 (# 3812:25 Double Ambig
)
&rst
ixpk= 3812, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1248,1133,
igr2=1338,1339,1340,1342,1343,1344, 71, 72, 73, 75,
76, 77,
&end
#
# 0 AMB 25-2:3814 91 VAL MGY 5.50 (# 3814:25 Single Ambig
)
&rst
ixpk= 3814, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1154,1155,1280,1281,
igr2=1338,1339,1340,1342,1343,1344,
&end
#
# 90 TRP HB- 7 VAL MGX 5.50 (# 3816:25 Unique 2.78, 5.34 A
)
&rst
ixpk= 3816, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1312,1313,
igr2= 124, 125, 126, 128, 129, 130,
&end
#
# 126 LEU HB+ 4 VAL MGY 5.50 (# 3818:25 Unique 4.87, 6.57 A
)
&rst
ixpk= 3818, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1906,1907,
igr2= 71, 72, 73, 75, 76, 77,
&end
#
# 88 PRO HG+ 7 VAL MGX 5.50 (# 3819:25 Unique 4.48, 6.68 A
)
&rst
ixpk= 3819, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1283,1284,
igr2= 124, 125, 126, 128, 129, 130,
&end
#
# 126 LEU HB+ 75 VAL MGY 3.50 (# 3824:25 Unique 3.19, 5.98 A
)
&rst
ixpk= 3824, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1906,1907,
igr2=1105,1106,1107,1109,1110,1111,
&end
#
# 62 SER HB- 42 VAL MGY 3.50 (# 3827:25 Unique 2.20, 5.51 A
)
&rst
ixpk= 3827, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 917, 918,
igr2= 633, 634, 635, 637, 638, 639,
&end
#
# 0 AMB 25-2:3828 42 VAL MGY 3.50 (# 3828:25 Single Ambig
)
&rst
ixpk= 3828, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 647, 648, 286, 287,
igr2= 633, 634, 635, 637, 638, 639,
&end
#
# 85 ASN HB- 91 VAL MGX 5.50 (# 3830:25 Unique 2.50, 5.90 A
)
&rst
ixpk= 3830, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1236,1237,
igr2=1338,1339,1340,1342,1343,1344,
&end
#
# 88 PRO HG- 91 VAL MGX 5.50 (# 3833:25 Unique 3.92, 7.31 A
)
&rst
ixpk= 3833, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1283,1284,
igr2=1338,1339,1340,1342,1343,1344,
&end
#
# 91 VAL HA 76 VAL MGY 3.50 (# 3838:25 Unique 3.68, 5.66 A
)
&rst
ixpk= 3838, nxpk= 25, iat=1334, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1121,1122,1123,1125,1126,1127,
&end
#
# 111 VAL HA 114 THR MG2 4.50 (# 3840:25 Unique 4.19, 4.88 A
)
&rst
ixpk= 3840, nxpk= 25, iat=1644, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1708,1709,1710,
&end
#
# 0 AMB 25-2:3841 0 AMB 25-1:3841 4.50 (# 3841:25 Double Ambig
)
&rst
ixpk= 3841, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1300,1301,1283,1284,
igr2=1354,1355,1356,1121,1122,1123,1125,1126,1127,
&end
#
# 0 AMB 25-2:3842 76 VAL MGY 4.50 (# 3842:25 Single Ambig
)
&rst
ixpk= 3842, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1366,1367,1070,1071,
igr2=1121,1122,1123,1125,1126,1127,
&end
#
# 73 TYR HB+ 76 VAL MGY 5.50 (# 3843:25 Unique 2.46, 4.79 A
)
&rst
ixpk= 3843, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1070,1071,
igr2=1121,1122,1123,1125,1126,1127,
&end
#
# 90 TRP HB+ 86 LEU HG 4.50 (# 3848:25 Unique 4.40, 5.04 A
)
&rst
ixpk= 3848, nxpk= 25, iat= -1,1253, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1312,1313,
&end
#
# 89 GLU HA 70 ALA MB 5.50 (# 3849:25 Unique 4.64, 5.95 A
)
&rst
ixpk= 3849, nxpk= 25, iat=1295, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1036,1037,1038,
&end
#
# 93 GLN HE2- 89 GLU HB+ 5.50 (# 3850:25 Unique 2.48, 3.67 A
)
&rst
ixpk= 3850, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1374,1375,
igr2=1297,1298,
&end
#
# 103 ASP HB+ 10 ARG HG+ 4.50 (# 3852:25 Unique 4.74, 6.37 A
)
&rst
ixpk= 3852, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1539,1540,
igr2= 174, 175,
&end
#
# 93 GLN HE2- 90 TRP HA 4.50 (# 3853:25 Unique 3.06, 4.18 A
)
&rst
ixpk= 3853, nxpk= 25, iat= -1,1310, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1374,1375,
&end
#
# 76 VAL MGY 90 TRP HA 4.50 (# 3854:25 Unique 2.50, 4.16 A
)
&rst
ixpk= 3854, nxpk= 25, iat= -1,1310, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1121,1122,1123,1125,1126,1127,
&end
#
# 91 VAL MGX 92 THR HB 5.50 (# 3855:25 Unique 2.32, 5.30 A
)
&rst
ixpk= 3855, nxpk= 25, iat= -1,1352, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1338,1339,1340,1342,1343,1344,
&end
#
# 86 LEU HB- 91 VAL MGY 3.50 (# 3857:25 Unique 2.16, 4.77 A
)
&rst
ixpk= 3857, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1250,1251,
igr2=1338,1339,1340,1342,1343,1344,
&end
#
# 90 TRP HN 91 VAL MGY 5.50 (# 3088:25 Double Ambig
)
&rst
ixpk= 3088, nxpk= 25, iat=1308, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1338,1339,1340,1342,1343,1344,
&end
#
# 65 ILE QD1 65 ILE HA 3.50 (# 125:25 Unique 4.08, 4.43 A
)
&rst
ixpk= 125, nxpk= 25, iat= -1, 952, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 963, 964, 965,
&end
#
# 29 LYS HN 29 LYS HD+ 5.50 (# 2364:25 Unique 2.07, 3.58 A
)
&rst
ixpk= 2364, nxpk= 25, iat= 437, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 447, 448,
&end
#
# 0 AMB 25-2:2497 42 VAL HA 4.50 (# 2497:25 Double Ambig
)
&rst
ixpk= 2497, nxpk= 25, iat= -1, 629, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 647, 648, 613, 614,
&end
#
# 91 VAL HN 88 PRO HA 5.50 (# 2764:25 Double Ambig
)
&rst
ixpk= 2764, nxpk= 25, iat=1332,1289, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 96 PHE HE 98 ASP HA 4.50 (# 2997:25 Single Ambig
)
&rst
ixpk= 2997, nxpk= 25, iat= -1,1450, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1423,1427,
&end
#
# 96 PHE HB+ 91 VAL MGY 5.50 (# 3087:25 Double Ambig
)
&rst
ixpk= 3087, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1417,1418,
igr2=1338,1339,1340,1342,1343,1344,
&end
#
# 114 THR MG2 115 VAL HA 3.50 (# 45:25 Double Ambig
)
&rst
ixpk= 45, nxpk= 25, iat= -1,1718, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1708,1709,1710,
&end
#
# 0 AMB 25-2:104 88 PRO HA 3.50 (# 104:25 Double Ambig
)
&rst
ixpk= 104, nxpk= 25, iat= -1,1289, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1283,1284,1300,1301,
&end
#
# 110 GLU HB+ 110 GLU HA 2.80 (# 285:25 Double Ambig
)
&rst
ixpk= 285, nxpk= 25, iat= -1,1629, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1631,1632,
&end
#
# 94 GLU HN 94 GLU HG- 3.50 (# 958:25 Double Ambig
)
&rst
ixpk= 958, nxpk= 25, iat=1379, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1386,1387,
&end
#
# 51 GLU HA 51 GLU HB- 2.80 (# 1272:25 Double Ambig
)
&rst
ixpk= 1272, nxpk= 25, iat= 763, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 765, 766,
&end
#
# 18 ALA MB 119 VAL MGX 3.50 (# 1560:25 Double Ambig
)
&rst
ixpk= 1560, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 300, 301, 302,
igr2=1786,1787,1788,1790,1791,1792,
&end
#
# 33 THR HA 33 THR MG2 2.80 (# 1572:25 Double Ambig
)
&rst
ixpk= 1572, nxpk= 25, iat= 506, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 510, 511, 512,
&end
#
# 33 THR HB 33 THR MG2 3.50 (# 1573:25 Double Ambig
)
&rst
ixpk= 1573, nxpk= 25, iat= 508, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 510, 511, 512,
&end
#
# 0 AMB 25-2:1579 111 VAL MGY 2.80 (# 1579:25 Double Ambig
)
&rst
ixpk= 1579, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1587,1588,1646,
igr2=1648,1649,1650,1652,1653,1654,
&end
#
# 0 AMB 25-2:1602 37 LEU MDY 2.80 (# 1602:25 Double Ambig
)
&rst
ixpk= 1602, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 551, 552, 554,
igr2= 556, 557, 558, 560, 561, 562,
&end
#
# 91 VAL HB 91 VAL MGY 2.80 (# 1693:25 Double Ambig
)
&rst
ixpk= 1693, nxpk= 25, iat=1336, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1338,1339,1340,1342,1343,1344,
&end
#
# 128 ALA HA 128 ALA MB 2.80 (# 1785:25 Double Ambig
)
&rst
ixpk= 1785, nxpk= 25, iat=1942, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1944,1945,1946,
&end
#
# 58 SER HA 47 ILE QG2 4.50 (# 1822:25 Double Ambig
)
&rst
ixpk= 1822, nxpk= 25, iat= 866, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 704, 705, 706,
&end
#
# 124 GLU HA 127 ILE QG2 4.50 (# 1824:25 Double Ambig
)
&rst
ixpk= 1824, nxpk= 25, iat=1875, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1927,1928,1929,
&end
#
# 0 AMB 25-2:1825 0 AMB 25-1:1825 2.80 (# 1825:25 Double Ambig
)
&rst
ixpk= 1825, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1925,1103,
igr2=1927,1928,1929,1978,1979,1980,
&end
#
# 26 GLY HA+ 127 ILE QG2 3.50 (# 1830:25 Double Ambig
)
&rst
ixpk= 1830, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 415, 416,
igr2=1927,1928,1929,
&end
#
# 0 AMB 25-2:2049 0 AMB 25-1:2049 5.50 (# 2049:25 Double Ambig
)
&rst
ixpk= 2049, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.80, r4=10.55,
igr1=1786,1787,1788,1790,1791,1792,1551,1552,
igr2= 102, 103,1539,1540,
&end
#
# 37 LEU HN 37 LEU HA 2.80 (# 2175:25 Double Ambig
)
&rst
ixpk= 2175, nxpk= 25, iat= 547, 549, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 24 THR HN 25 LEU HG 5.50 (# 2330:25 Double Ambig
)
&rst
ixpk= 2330, nxpk= 25, iat= 380, 401, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 21 PHE HE 119 VAL HB 3.50 (# 2434:25 Single Ambig
)
&rst
ixpk= 2434, nxpk= 25, iat= -1,1784, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 338, 342,
&end
#
# 95 ILE QG2 97 GLU HG- 3.50 (# 2470:25 Double Ambig
)
&rst
ixpk= 2470, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1400,1401,1402,
igr2=1440,1441,
&end
#
# 77 ILE QD1 97 GLU HG- 4.50 (# 2471:25 Double Ambig
)
&rst
ixpk= 2471, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1144,1145,1146,
igr2=1440,1441,
&end
#
# 86 LEU HG 85 ASN HA 4.50 (# 3001:25 Double Ambig
)
&rst
ixpk= 3001, nxpk= 25, iat=1253,1234, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:3003 85 ASN HA 3.50 (# 3003:25 Double Ambig
)
&rst
ixpk= 3003, nxpk= 25, iat= -1,1234, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1222,1223,1224,1226,1227,1228,1222,1223,1224,1226,
1227,1228,
&end
#
# 86 LEU MDX 86 LEU HG 2.80 (# 3034:25 Single Ambig
)
&rst
ixpk= 3034, nxpk= 25, iat= -1,1253, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1255,1256,1257,1259,1260,1261,
&end
#
# 0 AMB 25-2:3109 95 ILE HA 4.50 (# 3109:25 Double Ambig
)
&rst
ixpk= 3109, nxpk= 25, iat= -1,1396, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1386,1387,1383,1384,1440,1441,
&end
#
# 100 GLN HN 100 GLN HG+ 4.50 (# 3197:25 Double Ambig
)
&rst
ixpk= 3197, nxpk= 25, iat=1484, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1491,1492,
&end
#
# 15 SER HA 8 CYS HB+ 5.50 (# 3700:25 Double Ambig
)
&rst
ixpk= 3700, nxpk= 25, iat= 253, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 138, 139,
&end
#
# 21 PHE HB+ 123 VAL MGY 3.50 (# 1477:25 Double Ambig
)
&rst
ixpk= 1477, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 332, 333,
igr2=1863,1864,1865,1867,1868,1869,
&end
#
# 25 LEU HN 25 LEU MDX 3.50 (# 1465:25 Double Ambig
)
&rst
ixpk= 1465, nxpk= 25, iat= 394, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 403, 404, 405, 407, 408, 409,
&end
#
# 93 GLN HN 92 THR MG2 5.50 (# 3837:25 Double Ambig
)
&rst
ixpk= 3837, nxpk= 25, iat=1362, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1354,1355,1356,
&end
#
# 91 VAL MGX 88 PRO HA 4.50 (# 106:25 Unique 2.34, 5.34 A
)
&rst
ixpk= 106, nxpk= 25, iat= -1,1289, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1338,1339,1340,1342,1343,1344,
&end
#
# 95 ILE HA 96 PHE HB- 5.50 (# 3145:25 Single Ambig
)
&rst
ixpk= 3145, nxpk= 25, iat=1396, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1417,1418,
&end
#
# 29 LYS HN 29 LYS HB- 3.50 (# 976:25 Single Ambig
)
&rst
ixpk= 976, nxpk= 25, iat= 437, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 441, 442,
&end
#
# 79 LEU HB- 79 LEU HG 2.80 (# 1318:25 Single Ambig
)
&rst
ixpk= 1318, nxpk= 25, iat= -1,1168, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1165,1166,
&end
#
# 79 LEU HB+ 79 LEU HG 2.80 (# 1331:25 Double Ambig
)
&rst
ixpk= 1331, nxpk= 25, iat= -1,1168, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1165,1166,
&end
#
# 57 ILE HB 57 ILE HG1- 2.80 (# 3868:25 Double Ambig
)
&rst
ixpk= 3868, nxpk= 25, iat= 849, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 855, 856,
&end
#
# 79 LEU HA 79 LEU HG 4.50 (# 1315:25 Single Ambig
)
&rst
ixpk= 1315, nxpk= 25, iat=1163,1168, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 78 SER HA 79 LEU HG 4.50 (# 3869:25 Single Ambig
)
&rst
ixpk= 3869, nxpk= 25, iat=1152,1168, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 78 SER HB- 79 LEU HG 4.50 (# 1316:25 Single Ambig
)
&rst
ixpk= 1316, nxpk= 25, iat= -1,1168, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1154,1155,
&end
#
# 15 SER HA 79 LEU HG 4.50 (# 3870:25 Single Ambig
)
&rst
ixpk= 3870, nxpk= 25, iat= 253,1168, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 14 ARG HB+ 79 LEU HG 4.50 (# 2959:25 Single Ambig
)
&rst
ixpk= 2959, nxpk= 25, iat= -1,1168, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 231, 232,
&end
#
# 6 PHE HB- 79 LEU HG 3.50 (# 3871:25 Single Ambig
)
&rst
ixpk= 3871, nxpk= 25, iat= -1,1168, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 102, 103,
&end
#
# 79 LEU HG 6 PHE HB+ 5.50 (# 3922:25 Single Ambig
)
&rst
ixpk= 3922, nxpk= 25, iat=1168, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 102, 103,
&end
#
# 79 LEU HG 6 PHE HB- 5.50 (# 3923:25 Single Ambig
)
&rst
ixpk= 3923, nxpk= 25, iat=1168, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 102, 103,
&end
#
# 9 LYS HD- 80 CYS HA 3.50 (# 2961:25 Single Ambig
)
&rst
ixpk= 2961, nxpk= 25, iat= -1,1182, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 155, 156,
&end
#
# 9 LYS HG+ 80 CYS HA 3.50 (# 3872:25 Single Ambig
)
&rst
ixpk= 3872, nxpk= 25, iat= -1,1182, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 152, 153,
&end
#
# 79 LEU HA 79 LEU MDX 4.50 (# 3604:25 Single Ambig
)
&rst
ixpk= 3604, nxpk= 25, iat=1163, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1170,1171,1172,1174,1175,1176,
&end
#
# 78 SER HA 79 LEU MDX 4.50 (# 3873:25 Single Ambig
)
&rst
ixpk= 3873, nxpk= 25, iat=1152, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1170,1171,1172,1174,1175,1176,
&end
#
# 8 CYS HN 79 LEU MDX 4.50 (# 3874:25 Single Ambig
)
&rst
ixpk= 3874, nxpk= 25, iat= 134, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1170,1171,1172,1174,1175,1176,
&end
#
# 79 LEU MDX 80 CYS HA 4.50 (# 3875:25 Single Ambig
)
&rst
ixpk= 3875, nxpk= 25, iat= -1,1182, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1170,1171,1172,1174,1175,1176,
&end
#
# 81 GLY HN 80 CYS HB+ 5.50 (# 3876:25 Unique 2.39, 3.04 A
)
&rst
ixpk= 3876, nxpk= 25, iat=1191, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1184,1185,
&end
#
# 81 GLY HN 80 CYS HB- 5.50 (# 3877:25 Unique 2.39, 3.04 A
)
&rst
ixpk= 3877, nxpk= 25, iat=1191, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1184,1185,
&end
#
# 84 VAL MGX 80 CYS HB+ 3.50 (# 2972:25 Double Ambig
)
&rst
ixpk= 2972, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1222,1223,1224,1226,1227,1228,
igr2=1184,1185,
&end
#
# 84 VAL MGY 80 CYS HB+ 3.50 (# 3878:25 Double Ambig
)
&rst
ixpk= 3878, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1222,1223,1224,1226,1227,1228,
igr2=1184,1185,
&end
#
# 84 VAL MGX 80 CYS HB- 3.50 (# 1270:25 Single Ambig
)
&rst
ixpk= 1270, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1222,1223,1224,1226,1227,1228,
igr2=1184,1185,
&end
#
# 84 VAL MGY 80 CYS HB- 3.50 (# 3879:25 Single Ambig
)
&rst
ixpk= 3879, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1222,1223,1224,1226,1227,1228,
igr2=1184,1185,
&end
#
# 82 CYS HB+ 81 GLY HA+ 5.50 (# 3691:25 Double Ambig
)
&rst
ixpk= 3691, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1202,1203,
igr2=1193,1194,
&end
#
# 82 CYS HB+ 81 GLY HA- 5.50 (# 3881:25 Double Ambig
)
&rst
ixpk= 3881, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1202,1203,
igr2=1193,1194,
&end
#
# 100 GLN HB+ 81 GLY HA- 5.50 (# 3883:25 Unique 2.19, 4.54 A
)
&rst
ixpk= 3883, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1488,1489,
igr2=1193,1194,
&end
#
# 100 GLN HG- 81 GLY HA+ 5.50 (# 3884:25 Unique 2.19, 4.54 A
)
&rst
ixpk= 3884, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1491,1492,
igr2=1193,1194,
&end
#
# 100 GLN HG- 81 GLY HA- 5.50 (# 3885:25 Unique 2.19, 4.54 A
)
&rst
ixpk= 3885, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1491,1492,
igr2=1193,1194,
&end
#
# 84 VAL MGX 81 GLY HA+ 5.50 (# 3886:25 Unique 2.19, 4.54 A
)
&rst
ixpk= 3886, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1222,1223,1224,1226,1227,1228,
igr2=1193,1194,
&end
#
# 84 VAL MGY 81 GLY HA+ 5.50 (# 3917:25 Unique 2.19, 4.54 A
)
&rst
ixpk= 3917, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1222,1223,1224,1226,1227,1228,
igr2=1193,1194,
&end
#
# 84 VAL MGX 81 GLY HA- 5.50 (# 3887:25 Unique 2.19, 4.54 A
)
&rst
ixpk= 3887, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1222,1223,1224,1226,1227,1228,
igr2=1193,1194,
&end
#
# 84 VAL MGY 81 GLY HA- 5.50 (# 3918:25 Unique 2.19, 4.54 A
)
&rst
ixpk= 3918, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1222,1223,1224,1226,1227,1228,
igr2=1193,1194,
&end
#
# 100 GLN HG- 82 CYS HA 5.50 (# 3888:25 Unique 4.11, 5.40 A
)
&rst
ixpk= 3888, nxpk= 25, iat= -1,1200, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1491,1492,
&end
#
# 84 VAL MGY 82 CYS HA 5.50 (# 3889:25 Unique 4.11, 5.40 A
)
&rst
ixpk= 3889, nxpk= 25, iat= -1,1200, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1222,1223,1224,1226,1227,1228,
&end
#
# 83 GLY HA+ 82 CYS HB+ 4.50 (# 3891:25 Unique 4.11, 5.40 A
)
&rst
ixpk= 3891, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1211,1212,
igr2=1202,1203,
&end
#
# 100 GLN HE2+ 82 CYS HB+ 5.50 (# 3893:25 Unique 4.11, 5.40 A
)
&rst
ixpk= 3893, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1496,1497,
igr2=1202,1203,
&end
#
# 84 VAL MGX 83 GLY HA+ 4.50 (# 2624:25 Double Ambig
)
&rst
ixpk= 2624, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1222,1223,1224,1226,1227,1228,
igr2=1211,1212,
&end
#
# 84 VAL MGY 83 GLY HA+ 4.50 (# 3894:25 Double Ambig
)
&rst
ixpk= 3894, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1222,1223,1224,1226,1227,1228,
igr2=1211,1212,
&end
#
# 84 VAL MGX 83 GLY HA- 4.50 (# 2625:25 Single Ambig
)
&rst
ixpk= 2625, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1222,1223,1224,1226,1227,1228,
igr2=1211,1212,
&end
#
# 84 VAL MGY 83 GLY HA- 4.50 (# 3895:25 Single Ambig
)
&rst
ixpk= 3895, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1222,1223,1224,1226,1227,1228,
igr2=1211,1212,
&end
#
# 84 VAL MGX 84 VAL HA 2.80 (# 186:25 Single Ambig
)
&rst
ixpk= 186, nxpk= 25, iat= -1,1218, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1222,1223,1224,1226,1227,1228,
&end
#
# 84 VAL MGY 84 VAL HA 2.80 (# 3896:25 Single Ambig
)
&rst
ixpk= 3896, nxpk= 25, iat= -1,1218, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1222,1223,1224,1226,1227,1228,
&end
#
# 85 ASN HB+ 84 VAL HA 4.50 (# 3897:25 Single Ambig
)
&rst
ixpk= 3897, nxpk= 25, iat= -1,1218, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1236,1237,
&end
#
# 85 ASN HB- 84 VAL HA 4.50 (# 3898:25 Single Ambig
)
&rst
ixpk= 3898, nxpk= 25, iat= -1,1218, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1236,1237,
&end
#
# 84 VAL MGX 84 VAL HB 2.80 (# 1084:25 Single Ambig
)
&rst
ixpk= 1084, nxpk= 25, iat= -1,1220, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1222,1223,1224,1226,1227,1228,
&end
#
# 84 VAL MGY 84 VAL HB 2.80 (# 3899:25 Single Ambig
)
&rst
ixpk= 3899, nxpk= 25, iat= -1,1220, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1222,1223,1224,1226,1227,1228,
&end
#
# 80 CYS HB+ 84 VAL HB 3.50 (# 2095:25 Single Ambig
)
&rst
ixpk= 2095, nxpk= 25, iat= -1,1220, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1184,1185,
&end
#
# 9 LYS HE+ 84 VAL HB 3.50 (# 3900:25 Single Ambig
)
&rst
ixpk= 3900, nxpk= 25, iat= -1,1220, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 158, 159,
&end
#
# 80 CYS HB+ 84 VAL MGY 3.50 (# 1626:25 Single Ambig
)
&rst
ixpk= 1626, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1184,1185,
igr2=1222,1223,1224,1226,1227,1228,
&end
#
# 9 LYS HE+ 84 VAL MGY 3.50 (# 3904:25 Single Ambig
)
&rst
ixpk= 3904, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 158, 159,
igr2=1222,1223,1224,1226,1227,1228,
&end
#
# 85 ASN HN 85 ASN HA 3.50 (# 3907:25 Single Ambig
)
&rst
ixpk= 3907, nxpk= 25, iat=1232,1234, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 85 ASN HD2- 85 ASN HA 5.50 (# 3908:25 Unique 2.16, 3.43 A
)
&rst
ixpk= 3908, nxpk= 25, iat= -1,1234, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1241,1242,
&end
#
# 86 LEU MDX 85 ASN HA 3.50 (# 3909:25 Unique 2.16, 3.43 A
)
&rst
ixpk= 3909, nxpk= 25, iat= -1,1234, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1255,1256,1257,1259,1260,1261,
&end
#
# 86 LEU MDY 85 ASN HA 3.50 (# 3910:25 Unique 2.16, 3.43 A
)
&rst
ixpk= 3910, nxpk= 25, iat= -1,1234, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1255,1256,1257,1259,1260,1261,
&end
#
# 86 LEU HB- 85 ASN HA 4.50 (# 3911:25 Unique 4.22, 5.11 A
)
&rst
ixpk= 3911, nxpk= 25, iat= -1,1234, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1250,1251,
&end
#
# 86 LEU HA 85 ASN HA 4.50 (# 3912:25 Unique 4.22, 5.11 A
)
&rst
ixpk= 3912, nxpk= 25, iat=1248,1234, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 86 LEU HA 85 ASN HB- 5.50 (# 3913:25 Unique 4.22, 5.11 A
)
&rst
ixpk= 3913, nxpk= 25, iat=1248, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1236,1237,
&end
#
# 86 LEU HA 85 ASN HB+ 5.50 (# 3914:25 Unique 4.22, 5.11 A
)
&rst
ixpk= 3914, nxpk= 25, iat=1248, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1236,1237,
&end
#
# 84 VAL HA 85 ASN HB- 5.50 (# 3915:25 Unique 4.22, 5.11 A
)
&rst
ixpk= 3915, nxpk= 25, iat=1218, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1236,1237,
&end
#
# 84 VAL HA 85 ASN HB+ 5.50 (# 3916:25 Unique 4.22, 5.11 A
)
&rst
ixpk= 3916, nxpk= 25, iat=1218, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1236,1237,
&end
#
# 79 LEU MDX 15 SER HA 2.80 (# 177:25 Double Ambig
)
&rst
ixpk= 177, nxpk= 25, iat= -1, 253, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1170,1171,1172,1174,1175,1176,
&end
#
# 47 ILE QD1 58 SER HA 2.80 (# 3920:25 Double Ambig
)
&rst
ixpk= 3920, nxpk= 25, iat= -1, 866, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 711, 712, 713,
&end
#
# 79 LEU HG 15 SER HA 4.50 (# 179:25 Double Ambig
)
&rst
ixpk= 179, nxpk= 25, iat=1168, 253, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 119 VAL MGY 14 ARG HA 3.50 (# 3921:25 Double Ambig
)
&rst
ixpk= 3921, nxpk= 25, iat= -1, 229, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1786,1787,1788,1790,1791,1792,
&end
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