NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
21815 |
2i8l   |
cing | 1-original | 2 | AMBER | distance | NOE | simple |
# 110 PHE HA 111 LEU HN 2.80 (# 1:10 Unique
2.24, 2.28 A)
&rst
ixpk= 1, nxpk= 10, iat=1638,1656, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 61 VAL HA 111 LEU HN 3.50 (# 2:10 Unique
2.65, 2.75 A)
&rst
ixpk= 2, nxpk= 10, iat= 880,1656, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
&end
#
# 111 LEU HB+ 111 LEU HN 3.50 (# 3:10 Unique
2.42, 2.78 A)
&rst
ixpk= 3, nxpk= 10, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1660,1661,
&end
#
# 0 AMB 10-2:4 111 LEU HN 4.50 (# 4:10 Single
Ambig)
&rst
ixpk= 4, nxpk= 10, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 863, 869, 870,
&end
#
# 111 LEU HB- 111 LEU HN 3.50 (# 5:10 Unique
2.42, 2.78 A)
&rst
ixpk= 5, nxpk= 10, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1660,1661,
&end
#
# 0 AMB 10-2:6 111 LEU HN 3.50 (# 6:10 Single
Ambig)
&rst
ixpk= 6, nxpk= 10, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 884, 885, 886, 888, 889, 890,1665,1666,1667,1669,
1670,1671, 865, 866, 867,
&end
#
# 19 GLY HA+ 19 GLY HN 3.50 (# 7:10 Unique
2.29, 2.57 A)
&rst
ixpk= 7, nxpk= 10, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 244, 245,
&end
#
# 19 GLY HA- 19 GLY HN 3.50 (# 8:10 Unique
2.29, 2.57 A)
&rst
ixpk= 8, nxpk= 10, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 244, 245,
&end
#
# 20 PRO HD+ 19 GLY HN 4.50 (# 9:10 Unique
2.43, 2.82 A)
&rst
ixpk= 9, nxpk= 10, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 250, 251,
&end
#
# 18 ALA MB 19 GLY HN 3.50 (# 10:10 Unique
2.40, 3.30 A)
&rst
ixpk= 10, nxpk= 10, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 236, 237, 238,
&end
#
# 4 VAL HA 5 LEU HN 2.80 (# 11:10 Unique
2.13, 2.21 A)
&rst
ixpk= 11, nxpk= 10, iat= 49, 63, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,
&end
#
# 36 VAL HA 5 LEU HN 4.50 (# 12:10 Unique
2.58, 3.16 A)
&rst
ixpk= 12, nxpk= 10, iat= 488, 63, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
&end
#
# 0 AMB 10-2:13 5 LEU HN 2.80 (# 13:10 Single
Ambig)
&rst
ixpk= 13, nxpk= 10, iat= -1, 63, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 67, 68, 53, 54, 55, 57, 58, 59,
&end
#
# 5 LEU HB+ 5 LEU HN 3.50 (# 15:10 Unique
2.28, 2.84 A)
&rst
ixpk= 15, nxpk= 10, iat= -1, 63, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 67, 68,
&end
#
# 62 ASP HA 63 ALA HN 2.80 (# 16:10 Unique
2.52, 2.56 A)
&rst
ixpk= 16, nxpk= 10, iat= 896, 906, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,
&end
#
# 3 ASP HA 3 ASP HN 3.50 (# 17:10 Unique
2.96, 2.98 A)
&rst
ixpk= 17, nxpk= 10, iat= 37, 35, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
&end
#
# 0 AMB 10-2:18 0 AMB 10-1:18 2.80 (# 18:10 Double
Ambig)
&rst
ixpk= 18, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 39, 40, 910, 911, 912,
igr2= 35, 906,
&end
#
# 2 THR HA 3 ASP HN 2.80 (# 19:10 Unique
2.22, 2.27 A)
&rst
ixpk= 19, nxpk= 10, iat= 23, 35, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,
&end
#
# 3 ASP HB+ 3 ASP HN 3.50 (# 20:10 Unique
2.20, 2.93 A)
&rst
ixpk= 20, nxpk= 10, iat= -1, 35, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 39, 40,
&end
#
# 2 THR MG2 3 ASP HN 3.50 (# 21:10 Unique
2.58, 3.89 A)
&rst
ixpk= 21, nxpk= 10, iat= -1, 35, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 27, 28, 29,
&end
#
# 58 LEU HA 59 LEU HN 2.80 (# 23:10 Unique
2.14, 2.24 A)
&rst
ixpk= 23, nxpk= 10, iat= 823, 840, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,
&end
#
# 5 LEU HA 59 LEU HN 3.50 (# 24:10 Unique
2.59, 2.80 A)
&rst
ixpk= 24, nxpk= 10, iat= 65, 840, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
&end
#
# 59 LEU HA 59 LEU HN 3.50 (# 25:10 Unique
2.93, 2.95 A)
&rst
ixpk= 25, nxpk= 10, iat= 842, 840, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
&end
#
# 59 LEU HB+ 59 LEU HN 3.50 (# 26:10 Unique
2.41, 2.92 A)
&rst
ixpk= 26, nxpk= 10, iat= -1, 840, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 844, 845,
&end
#
# 58 LEU MDY 59 LEU HN 3.50 (# 27:10 Unique
1.86, 4.20 A)
&rst
ixpk= 27, nxpk= 10, iat= -1, 840, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 830, 831, 832, 834, 835, 836,
&end
#
# 59 LEU HB- 59 LEU HN 3.50 (# 28:10 Unique
2.41, 2.92 A)
&rst
ixpk= 28, nxpk= 10, iat= -1, 840, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 844, 845,
&end
#
# 142 TRP HN 143 GLU HN 4.50 (# 29:10 Unique
2.62, 4.27 A)
&rst
ixpk= 29, nxpk= 10, iat=2151,2175, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
&end
#
# 0 AMB 10-2:30 143 GLU HN 4.50 (# 30:10 Single
Ambig)
&rst
ixpk= 30, nxpk= 10, iat= -1,2175, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2159, 459,
&end
#
# 143 GLU HA 143 GLU HN 3.50 (# 31:10 Unique
2.29, 2.81 A)
&rst
ixpk= 31, nxpk= 10, iat=2177,2175, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
&end
#
# 0 AMB 10-2:32 143 GLU HN 3.50 (# 32:10 Single
Ambig)
&rst
ixpk= 32, nxpk= 10, iat= -1,2175, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=2153,2146,2147,
&end
#
# 0 AMB 10-2:33 143 GLU HN 4.50 (# 33:10 Single
Ambig)
&rst
ixpk= 33, nxpk= 10, iat= -1,2175, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2155,2156,2192,2193,
&end
#
# 146 GLY HA+ 143 GLU HN 5.50 (# 34:10 Unique
1.80, 3.14 A)
&rst
ixpk= 34, nxpk= 10, iat= -1,2175, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2213,2214,
&end
#
# 143 GLU HG- 143 GLU HN 4.50 (# 35:10 Unique
2.22, 4.15 A)
&rst
ixpk= 35, nxpk= 10, iat= -1,2175, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2182,2183,
&end
#
# 0 AMB 10-2:36 143 GLU HN 3.50 (# 36:10 Single
Ambig)
&rst
ixpk= 36, nxpk= 10, iat= -1,2175, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2213,2214,2179,2180,
&end
#
# 143 GLU HB- 143 GLU HN 3.50 (# 37:10 Unique
2.77, 3.31 A)
&rst
ixpk= 37, nxpk= 10, iat= -1,2175, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2179,2180,
&end
#
# 16 ASP HN 15 ASP HN 4.50 (# 38:10 Unique
2.56, 2.62 A)
&rst
ixpk= 38, nxpk= 10, iat= 213, 201, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
&end
#
# 15 ASP HA 15 ASP HN 3.50 (# 39:10 Unique
2.84, 2.88 A)
&rst
ixpk= 39, nxpk= 10, iat= 203, 201, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
&end
#
# 118 VAL HA 15 ASP HN 3.50 (# 40:10 Unique
2.45, 2.73 A)
&rst
ixpk= 40, nxpk= 10, iat=1765, 201, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
&end
#
# 14 GLY HA+ 15 ASP HN 3.50 (# 41:10 Unique
2.13, 2.71 A)
&rst
ixpk= 41, nxpk= 10, iat= -1, 201, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 196, 197,
&end
#
# 14 GLY HA- 15 ASP HN 3.50 (# 42:10 Unique
2.13, 2.71 A)
&rst
ixpk= 42, nxpk= 10, iat= -1, 201, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 196, 197,
&end
#
# 15 ASP HB- 15 ASP HN 3.50 (# 43:10 Unique
2.11, 2.94 A)
&rst
ixpk= 43, nxpk= 10, iat= -1, 201, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 205, 206,
&end
#
# 0 AMB 10-2:44 37 ILE HN 3.50 (# 44:10 Single
Ambig)
&rst
ixpk= 44, nxpk= 10, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 101, 521,
&end
#
# 6 LEU HA 37 ILE HN 3.50 (# 45:10 Unique
2.99, 3.19 A)
&rst
ixpk= 45, nxpk= 10, iat= 84, 502, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
&end
#
# 36 VAL HA 37 ILE HN 2.80 (# 46:10 Unique
2.07, 2.15 A)
&rst
ixpk= 46, nxpk= 10, iat= 488, 502, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,
&end
#
# 37 ILE HA 37 ILE HN 3.50 (# 47:10 Unique
2.96, 2.97 A)
&rst
ixpk= 47, nxpk= 10, iat= 504, 502, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
&end
#
# 0 AMB 10-2:48 37 ILE HN 3.50 (# 48:10 Single
Ambig)
&rst
ixpk= 48, nxpk= 10, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 506, 67, 68,
&end
#
# 37 ILE HG1+ 37 ILE HN 3.50 (# 49:10 Unique
3.05, 3.55 A)
&rst
ixpk= 49, nxpk= 10, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 512, 513,
&end
#
# 0 AMB 10-2:50 37 ILE HN 3.50 (# 50:10 Single
Ambig)
&rst
ixpk= 50, nxpk= 10, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 512, 513, 476, 477, 478, 480, 481, 482,
&end
#
# 36 VAL MGY 37 ILE HN 3.50 (# 51:10 Unique
2.74, 4.41 A)
&rst
ixpk= 51, nxpk= 10, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 492, 493, 494, 496, 497, 498,
&end
#
# 36 VAL MGX 37 ILE HN 3.50 (# 52:10 Unique
2.74, 4.41 A)
&rst
ixpk= 52, nxpk= 10, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 492, 493, 494, 496, 497, 498,
&end
#
# 0 AMB 10-2:53 37 ILE HN 3.50 (# 53:10 Single
Ambig)
&rst
ixpk= 53, nxpk= 10, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 508, 509, 510, 91, 92, 93, 95, 96, 97, 515,
516, 517,
&end
#
# 59 LEU HA 109 ILE HN 3.50 (# 54:10 Unique
2.67, 2.79 A)
&rst
ixpk= 54, nxpk= 10, iat= 842,1617, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
&end
#
# 108 VAL HA 109 ILE HN 2.80 (# 55:10 Unique
2.04, 2.10 A)
&rst
ixpk= 55, nxpk= 10, iat=1603,1617, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,
&end
#
# 0 AMB 10-2:56 109 ILE HN 3.50 (# 56:10 Single
Ambig)
&rst
ixpk= 56, nxpk= 10, iat= -1,1617, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 825, 826,1605,1590,1591, 801, 802,
&end
#
# 109 ILE HB 109 ILE HN 3.50 (# 57:10 Unique
2.40, 2.71 A)
&rst
ixpk= 57, nxpk= 10, iat=1621,1617, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
&end
#
# 0 AMB 10-2:58 109 ILE HN 3.50 (# 58:10 Single
Ambig)
&rst
ixpk= 58, nxpk= 10, iat= -1,1617, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1627,1628, 804, 805,
&end
#
# 109 ILE HG1- 109 ILE HN 3.50 (# 59:10 Unique
2.58, 3.66 A)
&rst
ixpk= 59, nxpk= 10, iat= -1,1617, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1627,1628,
&end
#
# 0 AMB 10-2:60 109 ILE HN 2.80 (# 60:10 Single
Ambig)
&rst
ixpk= 60, nxpk= 10, iat= -1,1617, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1607,1608,1609,1611,1612,1613,1607,1608,1609,1611,
1612,1613, 830, 831, 832, 834, 835, 836,
&end
#
# 59 LEU MDY 109 ILE HN 4.50 (# 61:10 Unique
4.25, 6.33 A)
&rst
ixpk= 61, nxpk= 10, iat= -1,1617, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 849, 850, 851, 853, 854, 855,
&end
#
# 0 AMB 10-2:62 109 ILE HN 4.50 (# 62:10 Single
Ambig)
&rst
ixpk= 62, nxpk= 10, iat= -1,1617, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 872, 873, 874, 847,
&end
#
# 114 GLN HA 114 GLN HN 3.50 (# 63:10 Unique
2.77, 2.78 A)
&rst
ixpk= 63, nxpk= 10, iat=1703,1701, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
&end
#
# 113 ILE HA 114 GLN HN 2.80 (# 64:10 Unique
2.22, 2.23 A)
&rst
ixpk= 64, nxpk= 10, iat=1684,1701, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,
&end
#
# 0 AMB 10-2:65 114 GLN HN 2.80 (# 65:10 Single
Ambig)
&rst
ixpk= 65, nxpk= 10, iat= -1,1701, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1705,1706,1705,1706,
&end
#
# 66 MET ME 114 GLN HN 2.80 (# 66:10 Unique
2.11, 2.80 A)
&rst
ixpk= 66, nxpk= 10, iat= -1,1701, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 953, 954, 955,
&end
#
# 113 ILE QG2 114 GLN HN 3.50 (# 67:10 Unique
3.03, 3.68 A)
&rst
ixpk= 67, nxpk= 10, iat= -1,1701, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1688,1689,1690,
&end
#
# 139 LEU HA 34 TRP HE1 3.50 (# 68:10 Unique
2.93, 3.11 A)
&rst
ixpk= 68, nxpk= 10, iat=2112, 456, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
&end
#
# 0 AMB 10-2:69 34 TRP HE1 3.50 (# 69:10 Single
Ambig)
&rst
ixpk= 69, nxpk= 10, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 427, 428, 427, 428,2131,
&end
#
# 142 TRP HB+ 34 TRP HE1 4.50 (# 70:10 Unique
2.96, 4.06 A)
&rst
ixpk= 70, nxpk= 10, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2155,2156,
&end
#
# 139 LEU HB+ 34 TRP HE1 3.50 (# 71:10 Unique
2.21, 3.88 A)
&rst
ixpk= 71, nxpk= 10, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2114,2115,
&end
#
# 139 LEU MDX 34 TRP HE1 4.50 (# 72:10 Unique
3.18, 5.06 A)
&rst
ixpk= 72, nxpk= 10, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2119,2120,2121,2123,2124,2125,
&end
#
# 139 LEU MDY 34 TRP HE1 3.50 (# 73:10 Unique
3.18, 5.06 A)
&rst
ixpk= 73, nxpk= 10, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2119,2120,2121,2123,2124,2125,
&end
#
# 34 TRP HD1 34 TRP HE1 2.80 (# 74:10 Unique
2.49, 2.53 A)
&rst
ixpk= 74, nxpk= 10, iat= 454, 456, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,
&end
#
# 0 AMB 10-2:75 34 TRP HE1 3.50 (# 75:10 Single
Ambig)
&rst
ixpk= 75, nxpk= 10, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 459,2159,
&end
#
# 142 TRP HB- 34 TRP HE1 4.50 (# 76:10 Unique
2.96, 4.06 A)
&rst
ixpk= 76, nxpk= 10, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2155,2156,
&end
#
# 139 LEU HB- 34 TRP HE1 3.50 (# 77:10 Unique
2.21, 3.88 A)
&rst
ixpk= 77, nxpk= 10, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2114,2115,
&end
#
# 109 ILE HA 110 PHE HN 2.80 (# 78:10 Unique
2.19, 2.27 A)
&rst
ixpk= 78, nxpk= 10, iat=1619,1636, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,
&end
#
# 110 PHE HB+ 110 PHE HN 3.50 (# 79:10 Unique
2.63, 2.86 A)
&rst
ixpk= 79, nxpk= 10, iat= -1,1636, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1640,1641,
&end
#
# 110 PHE HB- 110 PHE HN 3.50 (# 80:10 Unique
2.63, 2.86 A)
&rst
ixpk= 80, nxpk= 10, iat= -1,1636, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1640,1641,
&end
#
# 0 AMB 10-2:81 110 PHE HN 2.80 (# 81:10 Single
Ambig)
&rst
ixpk= 81, nxpk= 10, iat= -1,1636, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1623,1624,1625,1084,1085,1086,
&end
#
# 77 ASP HA 77 ASP HN 3.50 (# 82:10 Unique
2.93, 2.97 A)
&rst
ixpk= 82, nxpk= 10, iat=1118,1116, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
&end
#
# 76 ILE HA 77 ASP HN 2.80 (# 83:10 Unique
2.12, 2.23 A)
&rst
ixpk= 83, nxpk= 10, iat=1099,1116, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,
&end
#
# 77 ASP HB+ 77 ASP HN 2.80 (# 84:10 Unique
2.29, 2.67 A)
&rst
ixpk= 84, nxpk= 10, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1120,1121,
&end
#
# 80 ASP HB+ 77 ASP HN 4.50 (# 85:10 Unique
2.59, 3.58 A)
&rst
ixpk= 85, nxpk= 10, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1158,1159,
&end
#
# 77 ASP HB- 77 ASP HN 2.80 (# 86:10 Unique
2.29, 2.67 A)
&rst
ixpk= 86, nxpk= 10, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1120,1121,
&end
#
# 76 ILE QG2 77 ASP HN 2.80 (# 87:10 Unique
1.95, 3.23 A)
&rst
ixpk= 87, nxpk= 10, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1103,1104,1105,
&end
#
# 152 ALA HA 152 ALA HN 3.50 (# 88:10 Unique
2.83, 2.89 A)
&rst
ixpk= 88, nxpk= 10, iat=2293,2291, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
&end
#
# 151 LEU HA 152 ALA HN 2.80 (# 89:10 Unique
2.11, 2.17 A)
&rst
ixpk= 89, nxpk= 10, iat=2274,2291, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,
&end
#
# 151 LEU HB+ 152 ALA HN 4.50 (# 90:10 Unique
3.79, 4.12 A)
&rst
ixpk= 90, nxpk= 10, iat= -1,2291, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2276,2277,
&end
#
# 151 LEU HG 152 ALA HN 4.50 (# 91:10 Unique
2.52, 3.19 A)
&rst
ixpk= 91, nxpk= 10, iat=2279,2291, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
&end
#
# 152 ALA MB 152 ALA HN 2.80 (# 92:10 Unique
2.83, 3.46 A)
&rst
ixpk= 92, nxpk= 10, iat= -1,2291, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=2295,2296,2297,
&end
#
# 151 LEU HB- 152 ALA HN 4.50 (# 93:10 Unique
3.79, 4.12 A)
&rst
ixpk= 93, nxpk= 10, iat= -1,2291, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2276,2277,
&end
#
# 151 LEU MDY 152 ALA HN 2.80 (# 94:10 Unique
1.80, 4.08 A)
&rst
ixpk= 94, nxpk= 10, iat= -1,2291, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=2281,2282,2283,2285,2286,2287,
&end
#
# 151 LEU MDX 152 ALA HN 4.50 (# 95:10 Unique
1.80, 4.08 A)
&rst
ixpk= 95, nxpk= 10, iat= -1,2291, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2281,2282,2283,2285,2286,2287,
&end
#
# 0 AMB 10-2:96 0 AMB 10-1:96 3.50 (# 96:10 Double
Ambig)
&rst
ixpk= 96, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 84, 842,
igr2= 82,2161,
&end
#
# 6 LEU HB+ 6 LEU HN 3.50 (# 97:10 Unique
2.42, 2.84 A)
&rst
ixpk= 97, nxpk= 10, iat= -1, 82, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 86, 87,
&end
#
# 0 AMB 10-2:98 0 AMB 10-1:98 4.50 (# 98:10 Double
Ambig)
&rst
ixpk= 98, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1627,1628, 70,
igr2=2161, 82,
&end
#
# 0 AMB 10-2:99 0 AMB 10-1:99 3.50 (# 99:10 Double
Ambig)
&rst
ixpk= 99, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 86, 87, 53, 54, 55, 57, 58, 59,1091,1092,
1093,
igr2= 82,2161,
&end
#
# 0 AMB 10-2:100 6 LEU HN 3.50 (# 100:10 Single
Ambig)
&rst
ixpk= 100, nxpk= 10, iat= -1, 82, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1= 830, 831, 832, 834, 835, 836, 53, 54, 55, 57,
58, 59,
&end
#
# 0 AMB 10-2:101 6 LEU HN 3.50 (# 101:10 Single
Ambig)
&rst
ixpk= 101, nxpk= 10, iat= -1, 82, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00,
igr1= 872, 873, 874, 884, 885, 886, 888, 889, 890, 91,
92, 93, 95, 96, 97,
&end
#
# 0 AMB 10-2:102 0 AMB 10-1:102 4.50 (# 102:10 Double
Ambig)
&rst
ixpk= 102, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1= 844, 845, 865, 866, 867,
igr2=2161, 82,
&end
#
# 5 LEU MDY 6 LEU HN 3.50 (# 103:10 Unique
2.13, 4.53 A)
&rst
ixpk= 103, nxpk= 10, iat= -1, 82, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 72, 73, 74, 76, 77, 78,
&end
#
# 36 VAL HA 36 VAL HN 3.50 (# 104:10 Unique
2.81, 2.87 A)
&rst
ixpk= 104, nxpk= 10, iat= 488, 486, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 35 VAL HA 36 VAL HN 2.80 (# 105:10 Unique
2.11, 2.14 A)
&rst
ixpk= 105, nxpk= 10, iat= 472, 486, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 36 VAL HB 36 VAL HN 2.80 (# 106:10 Unique
2.50, 2.58 A)
&rst
ixpk= 106, nxpk= 10, iat= 490, 486, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 0 AMB 10-2:107 36 VAL HN 3.50 (# 107:10 Single
Ambig)
&rst
ixpk= 107, nxpk= 10, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1= 476, 477, 478, 480, 481, 482, 512, 513,
&end
#
# 36 VAL MGY 36 VAL HN 3.50 (# 108:10 Unique
1.85, 3.70 A)
&rst
ixpk= 108, nxpk= 10, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 492, 493, 494, 496, 497, 498,
&end
#
# 36 VAL MGX 36 VAL HN 3.50 (# 109:10 Unique
1.85, 3.70 A)
&rst
ixpk= 109, nxpk= 10, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 492, 493, 494, 496, 497, 498,
&end
#
# 0 AMB 10-2:111 142 TRP HE1 2.80 (# 111:10 Single
Ambig)
&rst
ixpk= 111, nxpk= 10, iat= -1,2161, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1=2159, 459,
&end
#
# 0 AMB 10-2:112 0 AMB 10-1:112 3.50 (# 112:10 Double
Ambig)
&rst
ixpk= 112, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 861,2199,
igr2= 82,2161,
&end
#
# 109 ILE QD1 142 TRP HE1 3.50 (# 113:10 Unique
2.16, 3.63 A)
&rst
ixpk= 113, nxpk= 10, iat= -1,2161, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1=1630,1631,1632,
&end
#
# 76 ILE QG2 76 ILE HN 4.50 (# 114:10 Unique
4.55, 4.82 A)
&rst
ixpk= 114, nxpk= 10, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1=1103,1104,1105,
&end
#
# 114 GLN HE2- 66 MET HN 4.50 (# 116:10 Unique
1.95, 2.82 A)
&rst
ixpk= 116, nxpk= 10, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1713,1714,
&end
#
# 68 LEU HN 66 MET HN 4.50 (# 117:10 Unique
3.24, 3.29 A)
&rst
ixpk= 117, nxpk= 10, iat= 966, 942, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 65 ASP HA 66 MET HN 2.80 (# 118:10 Unique
2.10, 2.16 A)
&rst
ixpk= 118, nxpk= 10, iat= 932, 942, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 66 MET HA 66 MET HN 3.50 (# 119:10 Unique
2.98, 2.99 A)
&rst
ixpk= 119, nxpk= 10, iat= 944, 942, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 66 MET HG+ 66 MET HN 4.50 (# 120:10 Unique
2.76, 3.51 A)
&rst
ixpk= 120, nxpk= 10, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 949, 950,
&end
#
# 66 MET HB+ 66 MET HN 3.50 (# 121:10 Unique
2.53, 3.14 A)
&rst
ixpk= 121, nxpk= 10, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 946, 947,
&end
#
# 0 AMB 10-2:122 66 MET HN 3.50 (# 122:10 Single
Ambig)
&rst
ixpk= 122, nxpk= 10, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1= 949, 950,1705,1706,1705,1706,1708,1709,
&end
#
# 66 MET ME 66 MET HN 3.50 (# 123:10 Unique
2.55, 3.87 A)
&rst
ixpk= 123, nxpk= 10, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1= 953, 954, 955,
&end
#
# 66 MET HB- 66 MET HN 3.50 (# 124:10 Unique
2.53, 3.14 A)
&rst
ixpk= 124, nxpk= 10, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 946, 947,
&end
#
# 75 ILE HA 76 ILE HN 2.80 (# 125:10 Unique
2.13, 2.17 A)
&rst
ixpk= 125, nxpk= 10, iat=1080,1097, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 0 AMB 10-2:126 76 ILE HN 2.80 (# 126:10 Single
Ambig)
&rst
ixpk= 126, nxpk= 10, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr1=1107,1108,1101,
&end
#
# 0 AMB 10-2:127 76 ILE HN 2.80 (# 127:10 Single
Ambig)
&rst
ixpk= 127, nxpk= 10, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1=1084,1085,1086,1623,1624,1625,
&end
#
# 75 ILE QD1 76 ILE HN 4.50 (# 128:10 Unique
3.86, 4.59 A)
&rst
ixpk= 128, nxpk= 10, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1=1091,1092,1093,
&end
#
# 0 AMB 10-2:129 76 ILE HN 4.50 (# 129:10 Single
Ambig)
&rst
ixpk= 129, nxpk= 10, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1110,1111,1112,1457,1458,1459,
&end
#
# 4 VAL HA 35 VAL HN 3.50 (# 130:10 Unique
2.38, 2.64 A)
&rst
ixpk= 130, nxpk= 10, iat= 49, 470, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 35 VAL HA 35 VAL HN 3.50 (# 131:10 Unique
2.78, 2.84 A)
&rst
ixpk= 131, nxpk= 10, iat= 472, 470, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 34 TRP HA 35 VAL HN 2.80 (# 132:10 Unique
2.10, 2.18 A)
&rst
ixpk= 132, nxpk= 10, iat= 448, 470, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 34 TRP HB+ 35 VAL HN 3.50 (# 133:10 Unique
2.88, 3.85 A)
&rst
ixpk= 133, nxpk= 10, iat= -1, 470, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 450, 451,
&end
#
# 35 VAL HB 35 VAL HN 2.80 (# 134:10 Unique
2.44, 2.60 A)
&rst
ixpk= 134, nxpk= 10, iat= 474, 470, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 35 VAL MGX 35 VAL HN 2.80 (# 135:10 Unique
1.99, 3.77 A)
&rst
ixpk= 135, nxpk= 10, iat= -1, 470, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1= 476, 477, 478, 480, 481, 482,
&end
#
# 0 AMB 10-2:136 35 VAL HN 4.50 (# 136:10 Single
Ambig)
&rst
ixpk= 136, nxpk= 10, iat= -1, 470, r1= 1.30, r2= 1.80, r3= 6.99, r4=
7.49,
igr1= 53, 54, 55, 57, 58, 59, 67, 68, 735, 736,
737, 739, 740, 741,
&end
#
# 59 LEU HA 60 ILE HN 2.80 (# 137:10 Unique
2.17, 2.25 A)
&rst
ixpk= 137, nxpk= 10, iat= 842, 859, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 0 AMB 10-2:138 60 ILE HN 3.50 (# 138:10 Single
Ambig)
&rst
ixpk= 138, nxpk= 10, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1638, 861,
&end
#
# 0 AMB 10-2:139 60 ILE HN 4.50 (# 139:10 Single
Ambig)
&rst
ixpk= 139, nxpk= 10, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1=1621,1660,1661,
&end
#
# 0 AMB 10-2:140 60 ILE HN 2.80 (# 140:10 Single
Ambig)
&rst
ixpk= 140, nxpk= 10, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr1= 863, 869, 870,
&end
#
# 0 AMB 10-2:141 60 ILE HN 4.50 (# 141:10 Single
Ambig)
&rst
ixpk= 141, nxpk= 10, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1=1623,1624,1625,1660,1661,1630,1631,1632,
&end
#
# 60 ILE HG1- 60 ILE HN 3.50 (# 142:10 Unique
2.62, 3.54 A)
&rst
ixpk= 142, nxpk= 10, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 869, 870,
&end
#
# 0 AMB 10-2:143 60 ILE HN 3.50 (# 143:10 Single
Ambig)
&rst
ixpk= 143, nxpk= 10, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 872, 873, 874, 847,
&end
#
# 59 LEU MDY 60 ILE HN 3.50 (# 144:10 Unique
1.94, 4.29 A)
&rst
ixpk= 144, nxpk= 10, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 849, 850, 851, 853, 854, 855,
&end
#
# 155 GLU HN 156 GLU HN 4.50 (# 145:10 Unique
2.19, 4.02 A)
&rst
ixpk= 145, nxpk= 10, iat=2332,2347, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 155 GLU HA 156 GLU HN 3.50 (# 146:10 Unique
2.34, 2.49 A)
&rst
ixpk= 146, nxpk= 10, iat=2334,2347, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 10-2:147 156 GLU HN 4.50 (# 147:10 Single
Ambig)
&rst
ixpk= 147, nxpk= 10, iat= -1,2347, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=2336,2337,2321,2322,
&end
#
# 0 AMB 10-2:148 156 GLU HN 3.50 (# 148:10 Single
Ambig)
&rst
ixpk= 148, nxpk= 10, iat= -1,2347, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1=2336,2337,2351,2352,2321,2322,
&end
#
# 58 LEU HA 58 LEU HN 3.50 (# 149:10 Unique
2.97, 2.98 A)
&rst
ixpk= 149, nxpk= 10, iat= 823, 821, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 10-2:150 58 LEU HN 2.80 (# 150:10 Single
Ambig)
&rst
ixpk= 150, nxpk= 10, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1= 801, 802, 825, 826,
&end
#
# 0 AMB 10-2:151 58 LEU HN 3.50 (# 151:10 Single
Ambig)
&rst
ixpk= 151, nxpk= 10, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 804, 805, 804, 805,
&end
#
# 0 AMB 10-2:152 58 LEU HN 3.50 (# 152:10 Single
Ambig)
&rst
ixpk= 152, nxpk= 10, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 5.94, r4=
6.44,
igr1=1607,1608,1609,1611,1612,1613,1607,1608,1609,1611,
1612,1613, 53, 54, 55, 57, 58, 59, 830, 831,
832, 834, 835, 836,
&end
#
# 57 ARG HA 58 LEU HN 2.80 (# 153:10 Unique
2.09, 2.24 A)
&rst
ixpk= 153, nxpk= 10, iat= 799, 821, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 105 ILE QG2 58 LEU HN 3.50 (# 154:10 Unique
2.82, 3.49 A)
&rst
ixpk= 154, nxpk= 10, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1=1566,1567,1568,
&end
#
# 38 ASP HA 38 ASP HN 3.50 (# 155:10 Unique
2.98, 2.99 A)
&rst
ixpk= 155, nxpk= 10, iat= 523, 521, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 37 ILE HA 38 ASP HN 2.80 (# 156:10 Unique
2.31, 2.35 A)
&rst
ixpk= 156, nxpk= 10, iat= 504, 521, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 38 ASP HB+ 38 ASP HN 2.80 (# 157:10 Unique
2.58, 3.02 A)
&rst
ixpk= 157, nxpk= 10, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1= 525, 526,
&end
#
# 38 ASP HB- 38 ASP HN 3.50 (# 158:10 Unique
2.58, 3.02 A)
&rst
ixpk= 158, nxpk= 10, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 525, 526,
&end
#
# 0 AMB 10-2:159 38 ASP HN 3.50 (# 159:10 Single
Ambig)
&rst
ixpk= 159, nxpk= 10, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 508, 509, 510, 91, 92, 93, 95, 96, 97,
&end
#
# 147 GLY HN 145 ASN HN 5.50 (# 160:10 Unique
2.95, 3.66 A)
&rst
ixpk= 160, nxpk= 10, iat=2218,2197, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 75 ILE HN 151 LEU HN 3.50 (# 161:10 Unique
3.13, 3.25 A)
&rst
ixpk= 161, nxpk= 10, iat=1078,2272, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 76 ILE HA 151 LEU HN 4.50 (# 162:10 Unique
3.53, 3.66 A)
&rst
ixpk= 162, nxpk= 10, iat=1099,2272, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 151 LEU HA 151 LEU HN 3.50 (# 163:10 Unique
2.77, 2.82 A)
&rst
ixpk= 163, nxpk= 10, iat=2274,2272, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 10-2:164 151 LEU HN 3.50 (# 164:10 Single
Ambig)
&rst
ixpk= 164, nxpk= 10, iat= -1,2272, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=2262,2263, 949, 950,
&end
#
# 151 LEU HB+ 151 LEU HN 2.80 (# 165:10 Unique
2.26, 2.41 A)
&rst
ixpk= 165, nxpk= 10, iat= -1,2272, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1=2276,2277,
&end
#
# 74 ARG HB- 0 AMB 10-1:166 3.50 (# 166:10 Single
Ambig)
&rst
ixpk= 166, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1058,1059,
igr2=2272,1054,
&end
#
# 0 AMB 10-2:167 151 LEU HN 3.50 (# 167:10 Single
Ambig)
&rst
ixpk= 167, nxpk= 10, iat= -1,2272, r1= 1.30, r2= 1.80, r3= 4.58, r4=
5.08,
igr1=1107,1108,2279,1088,1089,
&end
#
# 58 LEU HB- 58 LEU HN 3.50 (# 168:10 Unique
2.53, 2.99 A)
&rst
ixpk= 168, nxpk= 10, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 825, 826,
&end
#
# 0 AMB 10-2:169 151 LEU HN 3.50 (# 169:10 Single
Ambig)
&rst
ixpk= 169, nxpk= 10, iat= -1,2272, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1084,1085,1086,2281,2282,2283,2285,2286,2287,
&end
#
# 74 ARG HA 74 ARG HN 3.50 (# 170:10 Unique
2.94, 2.97 A)
&rst
ixpk= 170, nxpk= 10, iat=1056,1054, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 10-2:171 0 AMB 10-1:171 2.80 (# 171:10 Double
Ambig)
&rst
ixpk= 171, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1=2257,1037,
igr2=2272,1054,
&end
#
# 0 AMB 10-2:172 74 ARG HN 3.50 (# 172:10 Single
Ambig)
&rst
ixpk= 172, nxpk= 10, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 4.58, r4=
5.08,
igr1= 953, 954, 955,1045,1046,
&end
#
# 73 ILE HB 74 ARG HN 4.50 (# 173:10 Unique
4.12, 4.19 A)
&rst
ixpk= 173, nxpk= 10, iat=1039,1054, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 10-2:174 74 ARG HN 3.50 (# 174:10 Single
Ambig)
&rst
ixpk= 174, nxpk= 10, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1061,1062,1692,1693,
&end
#
# 112 GLY HN 74 ARG HN 3.50 (# 175:10 Unique
3.24, 3.33 A)
&rst
ixpk= 175, nxpk= 10, iat=1675,1054, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 10-2:176 74 ARG HN 4.50 (# 176:10 Single
Ambig)
&rst
ixpk= 176, nxpk= 10, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 6.71, r4=
7.21,
igr1=1665,1666,1667,1669,1670,1671,1045,1046,1695,1696,
1697,
&end
#
# 73 ILE QG2 74 ARG HN 3.50 (# 177:10 Unique
2.67, 3.54 A)
&rst
ixpk= 177, nxpk= 10, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1=1041,1042,1043,
&end
#
# 107 GLU HA 108 VAL HN 2.80 (# 178:10 Unique
2.11, 2.16 A)
&rst
ixpk= 178, nxpk= 10, iat=1588,1601, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 107 GLU HG+ 108 VAL HN 3.50 (# 179:10 Unique
2.59, 3.41 A)
&rst
ixpk= 179, nxpk= 10, iat= -1,1601, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1593,1594,
&end
#
# 0 AMB 10-2:180 108 VAL HN 3.50 (# 180:10 Single
Ambig)
&rst
ixpk= 180, nxpk= 10, iat= -1,1601, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1593,1594,1590,1591,
&end
#
# 0 AMB 10-2:181 108 VAL HN 3.50 (# 181:10 Single
Ambig)
&rst
ixpk= 181, nxpk= 10, iat= -1,1601, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1=1605,1590,1591,
&end
#
# 0 AMB 10-2:182 108 VAL HN 2.80 (# 182:10 Single
Ambig)
&rst
ixpk= 182, nxpk= 10, iat= -1,1601, r1= 1.30, r2= 1.80, r3= 4.24, r4=
4.74,
igr1=1607,1608,1609,1611,1612,1613,1607,1608,1609,1611,
1612,1613,
&end
#
# 108 VAL HA 108 VAL HN 3.50 (# 183:10 Unique
2.91, 2.97 A)
&rst
ixpk= 183, nxpk= 10, iat=1603,1601, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 145 ASN HA 145 ASN HN 3.50 (# 184:10 Unique
2.26, 2.93 A)
&rst
ixpk= 184, nxpk= 10, iat=2199,2197, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 146 GLY HN 145 ASN HN 3.50 (# 185:10 Unique
1.95, 2.30 A)
&rst
ixpk= 185, nxpk= 10, iat=2211,2197, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 10-2:186 145 ASN HN 2.80 (# 186:10 Single
Ambig)
&rst
ixpk= 186, nxpk= 10, iat= -1,2197, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1=2192,2193,2192,2193,
&end
#
# 145 ASN HB+ 145 ASN HN 3.50 (# 187:10 Unique
2.18, 3.04 A)
&rst
ixpk= 187, nxpk= 10, iat= -1,2197, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=2201,2202,
&end
#
# 145 ASN HB- 145 ASN HN 3.50 (# 188:10 Unique
2.18, 3.04 A)
&rst
ixpk= 188, nxpk= 10, iat= -1,2197, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=2201,2202,
&end
#
# 118 VAL HA 118 VAL HN 3.50 (# 189:10 Unique
2.71, 2.92 A)
&rst
ixpk= 189, nxpk= 10, iat=1765,1763, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 117 ILE HA 118 VAL HN 3.50 (# 190:10 Unique
2.19, 2.28 A)
&rst
ixpk= 190, nxpk= 10, iat=1746,1763, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 118 VAL HB 118 VAL HN 2.80 (# 191:10 Unique
1.95, 2.74 A)
&rst
ixpk= 191, nxpk= 10, iat=1767,1763, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 117 ILE HB 118 VAL HN 5.50 (# 192:10 Unique
3.06, 3.46 A)
&rst
ixpk= 192, nxpk= 10, iat=1748,1763, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 118 VAL MGY 118 VAL HN 3.50 (# 193:10 Unique
2.10, 4.37 A)
&rst
ixpk= 193, nxpk= 10, iat= -1,1763, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1=1769,1770,1771,1773,1774,1775,
&end
#
# 118 VAL MGX 118 VAL HN 3.50 (# 194:10 Unique
2.10, 4.37 A)
&rst
ixpk= 194, nxpk= 10, iat= -1,1763, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1=1769,1770,1771,1773,1774,1775,
&end
#
# 117 ILE QD1 118 VAL HN 3.50 (# 195:10 Unique
2.79, 4.27 A)
&rst
ixpk= 195, nxpk= 10, iat= -1,1763, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1=1757,1758,1759,
&end
#
# 124 MET ME 18 ALA HN 3.50 (# 196:10 Unique
3.25, 4.11 A)
&rst
ixpk= 196, nxpk= 10, iat= -1, 232, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1=1873,1874,1875,
&end
#
# 17 GLY HN 18 ALA HN 3.50 (# 197:10 Unique
2.84, 3.11 A)
&rst
ixpk= 197, nxpk= 10, iat= 225, 232, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 10-2:198 18 ALA HN 2.80 (# 198:10 Single
Ambig)
&rst
ixpk= 198, nxpk= 10, iat= -1, 232, r1= 1.30, r2= 1.80, r3= 3.66, r4=
4.16,
igr1= 234, 227, 228, 227, 228,
&end
#
# 0 AMB 10-2:199 18 ALA HN 3.50 (# 199:10 Single
Ambig)
&rst
ixpk= 199, nxpk= 10, iat= -1, 232, r1= 1.30, r2= 1.80, r3= 4.58, r4=
5.08,
igr1= 910, 911, 912, 267, 268,
&end
#
# 18 ALA MB 18 ALA HN 2.80 (# 200:10 Unique
2.41, 2.84 A)
&rst
ixpk= 200, nxpk= 10, iat= -1, 232, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr1= 236, 237, 238,
&end
#
# 0 AMB 10-2:201 18 ALA HN 4.50 (# 201:10 Single
Ambig)
&rst
ixpk= 201, nxpk= 10, iat= -1, 232, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1=1993,1994,1995,1997,1998,1999,1934,1935,
&end
#
# 130 ASP HN 131 ALA HN 3.50 (# 202:10 Unique
2.65, 2.69 A)
&rst
ixpk= 202, nxpk= 10, iat=1965,1977, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 132 VAL HN 131 ALA HN 3.50 (# 203:10 Unique
2.79, 2.82 A)
&rst
ixpk= 203, nxpk= 10, iat=1987,1977, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 130 ASP HA 131 ALA HN 3.50 (# 204:10 Unique
3.54, 3.55 A)
&rst
ixpk= 204, nxpk= 10, iat=1967,1977, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 131 ALA HA 131 ALA HN 3.50 (# 205:10 Unique
2.82, 2.83 A)
&rst
ixpk= 205, nxpk= 10, iat=1979,1977, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 128 ILE HA 131 ALA HN 3.50 (# 206:10 Unique
3.13, 3.19 A)
&rst
ixpk= 206, nxpk= 10, iat=1926,1977, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 10-2:207 131 ALA HN 2.80 (# 207:10 Single
Ambig)
&rst
ixpk= 207, nxpk= 10, iat= -1,1977, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1=1969,1970,1969,1970,
&end
#
# 131 ALA MB 131 ALA HN 2.80 (# 208:10 Unique
2.34, 2.86 A)
&rst
ixpk= 208, nxpk= 10, iat= -1,1977, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr1=1981,1982,1983,
&end
#
# 0 AMB 10-2:209 131 ALA HN 4.50 (# 209:10 Single
Ambig)
&rst
ixpk= 209, nxpk= 10, iat= -1,1977, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1=1993,1994,1995,1997,1998,1999,1934,1935,
&end
#
# 0 AMB 10-2:210 131 ALA HN 4.50 (# 210:10 Single
Ambig)
&rst
ixpk= 210, nxpk= 10, iat= -1,1977, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1048,1049,1050,1937,1938,1939,
&end
#
# 6 LEU HA 7 CYS HN 2.80 (# 211:10 Unique
2.13, 2.16 A)
&rst
ixpk= 211, nxpk= 10, iat= 84, 101, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 7 CYS HA 7 CYS HN 3.50 (# 212:10 Unique
2.91, 2.93 A)
&rst
ixpk= 212, nxpk= 10, iat= 103, 101, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 38 ASP HA 7 CYS HN 3.50 (# 213:10 Unique
2.41, 2.59 A)
&rst
ixpk= 213, nxpk= 10, iat= 523, 101, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 7 CYS HB+ 7 CYS HN 3.50 (# 214:10 Unique
2.17, 3.01 A)
&rst
ixpk= 214, nxpk= 10, iat= -1, 101, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 105, 106,
&end
#
# 7 CYS HB- 7 CYS HN 3.50 (# 215:10 Unique
2.17, 3.01 A)
&rst
ixpk= 215, nxpk= 10, iat= -1, 101, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 105, 106,
&end
#
# 0 AMB 10-2:216 7 CYS HN 4.50 (# 216:10 Single
Ambig)
&rst
ixpk= 216, nxpk= 10, iat= -1, 101, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1= 506, 67, 68,
&end
#
# 6 LEU MDY 7 CYS HN 3.50 (# 218:10 Unique
2.57, 4.92 A)
&rst
ixpk= 218, nxpk= 10, iat= -1, 101, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 91, 92, 93, 95, 96, 97,
&end
#
# 0 AMB 10-2:219 7 CYS HN 3.50 (# 219:10 Single
Ambig)
&rst
ixpk= 219, nxpk= 10, iat= -1, 101, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 91, 92, 93, 95, 96, 97, 508, 509, 510,
&end
#
# 154 GLU HA 154 GLU HN 3.50 (# 220:10 Unique
2.78, 2.85 A)
&rst
ixpk= 220, nxpk= 10, iat=2319,2317, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 153 VAL HA 154 GLU HN 3.50 (# 221:10 Unique
2.44, 2.58 A)
&rst
ixpk= 221, nxpk= 10, iat=2303,2317, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 10-2:222 154 GLU HN 3.50 (# 222:10 Single
Ambig)
&rst
ixpk= 222, nxpk= 10, iat= -1,2317, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=2324,2325,2324,2325,
&end
#
# 0 AMB 10-2:223 154 GLU HN 3.50 (# 223:10 Single
Ambig)
&rst
ixpk= 223, nxpk= 10, iat= -1,2317, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1=2321,2322,2305,
&end
#
# 154 GLU HB- 154 GLU HN 3.50 (# 224:10 Unique
2.27, 2.89 A)
&rst
ixpk= 224, nxpk= 10, iat= -1,2317, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=2321,2322,
&end
#
# 152 ALA MB 154 GLU HN 5.50 (# 225:10 Unique
3.23, 4.61 A)
&rst
ixpk= 225, nxpk= 10, iat= -1,2317, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=2295,2296,2297,
&end
#
# 0 AMB 10-2:226 154 GLU HN 3.50 (# 226:10 Single
Ambig)
&rst
ixpk= 226, nxpk= 10, iat= -1,2317, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1=2307,2308,2309,2311,2312,2313,2307,2308,2309,2311,
2312,2313,
&end
#
# 64 THR MG2 65 ASP HN 3.50 (# 227:10 Unique
2.42, 3.28 A)
&rst
ixpk= 227, nxpk= 10, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1= 922, 923, 924,
&end
#
# 60 ILE HA 61 VAL HN 2.80 (# 228:10 Unique
2.29, 2.39 A)
&rst
ixpk= 228, nxpk= 10, iat= 861, 878, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 61 VAL HA 61 VAL HN 3.50 (# 229:10 Unique
2.97, 2.97 A)
&rst
ixpk= 229, nxpk= 10, iat= 880, 878, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 7 CYS HA 61 VAL HN 3.50 (# 230:10 Unique
2.89, 3.05 A)
&rst
ixpk= 230, nxpk= 10, iat= 103, 878, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 61 VAL HB 61 VAL HN 3.50 (# 231:10 Unique
2.81, 2.86 A)
&rst
ixpk= 231, nxpk= 10, iat= 882, 878, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 10-2:232 61 VAL HN 4.50 (# 232:10 Single
Ambig)
&rst
ixpk= 232, nxpk= 10, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 6.99, r4=
7.49,
igr1= 869, 870, 830, 831, 832, 834, 835, 836,2038,2039,
2040,2042,2043,2044,
&end
#
# 61 VAL MGY 61 VAL HN 3.50 (# 233:10 Unique
3.00, 4.30 A)
&rst
ixpk= 233, nxpk= 10, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 884, 885, 886, 888, 889, 890,
&end
#
# 65 ASP HA 65 ASP HN 3.50 (# 234:10 Unique
2.90, 2.91 A)
&rst
ixpk= 234, nxpk= 10, iat= 932, 930, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 10-2:235 65 ASP HN 2.80 (# 235:10 Single
Ambig)
&rst
ixpk= 235, nxpk= 10, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1= 918,1285,
&end
#
# 0 AMB 10-2:236 65 ASP HN 4.50 (# 236:10 Single
Ambig)
&rst
ixpk= 236, nxpk= 10, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1= 920,1719,1720,
&end
#
# 65 ASP HB+ 65 ASP HN 2.80 (# 237:10 Unique
2.42, 2.55 A)
&rst
ixpk= 237, nxpk= 10, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1= 934, 935,
&end
#
# 65 ASP HB- 65 ASP HN 3.50 (# 238:10 Unique
2.42, 2.55 A)
&rst
ixpk= 238, nxpk= 10, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 934, 935,
&end
#
# 41 SER HN 42 ALA HN 2.80 (# 239:10 Unique
1.64, 2.70 A)
&rst
ixpk= 239, nxpk= 10, iat= 547, 558, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 42 ALA HA 42 ALA HN 3.50 (# 240:10 Unique
2.86, 2.94 A)
&rst
ixpk= 240, nxpk= 10, iat= 560, 558, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 10-2:241 42 ALA HN 3.50 (# 241:10 Single
Ambig)
&rst
ixpk= 241, nxpk= 10, iat= -1, 558, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 549, 578,
&end
#
# 41 SER HB+ 42 ALA HN 4.50 (# 242:10 Unique
3.91, 4.53 A)
&rst
ixpk= 242, nxpk= 10, iat= -1, 558, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 551, 552,
&end
#
# 40 GLY HA- 42 ALA HN 3.50 (# 243:10 Unique
3.37, 3.96 A)
&rst
ixpk= 243, nxpk= 10, iat= -1, 558, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 542, 543,
&end
#
# 0 AMB 10-2:244 42 ALA HN 3.50 (# 244:10 Single
Ambig)
&rst
ixpk= 244, nxpk= 10, iat= -1, 558, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 569, 570, 551, 552,
&end
#
# 0 AMB 10-2:245 42 ALA HN 3.50 (# 245:10 Single
Ambig)
&rst
ixpk= 245, nxpk= 10, iat= -1, 558, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 569, 570, 535, 536,
&end
#
# 42 ALA MB 42 ALA HN 2.80 (# 246:10 Unique
2.65, 3.38 A)
&rst
ixpk= 246, nxpk= 10, iat= -1, 558, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr1= 562, 563, 564,
&end
#
# 148 PHE HD 149 ALA HN 3.50 (# 247:10 Unique
3.29, 4.59 A)
&rst
ixpk= 247, nxpk= 10, iat= -1,2245, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=2233,2241,
&end
#
# 148 PHE HA 149 ALA HN 2.80 (# 248:10 Unique
2.14, 2.26 A)
&rst
ixpk= 248, nxpk= 10, iat=2227,2245, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 149 ALA HA 149 ALA HN 3.50 (# 249:10 Unique
2.89, 2.94 A)
&rst
ixpk= 249, nxpk= 10, iat=2247,2245, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 148 PHE HB+ 149 ALA HN 3.50 (# 250:10 Unique
2.19, 3.25 A)
&rst
ixpk= 250, nxpk= 10, iat= -1,2245, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=2229,2230,
&end
#
# 148 PHE HB- 149 ALA HN 3.50 (# 251:10 Unique
2.19, 3.25 A)
&rst
ixpk= 251, nxpk= 10, iat= -1,2245, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=2229,2230,
&end
#
# 0 AMB 10-2:252 149 ALA HN 2.80 (# 252:10 Single
Ambig)
&rst
ixpk= 252, nxpk= 10, iat= -1,2245, r1= 1.30, r2= 1.80, r3= 3.66, r4=
4.16,
igr1=2249,2250,2251,1088,1089,
&end
#
# 58 LEU HA 4 VAL HN 3.50 (# 254:10 Unique
2.49, 2.70 A)
&rst
ixpk= 254, nxpk= 10, iat= 823, 47, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 3 ASP HA 4 VAL HN 2.80 (# 255:10 Unique
2.17, 2.27 A)
&rst
ixpk= 255, nxpk= 10, iat= 37, 47, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 4 VAL HB 4 VAL HN 3.50 (# 256:10 Unique
2.53, 2.73 A)
&rst
ixpk= 256, nxpk= 10, iat= 51, 47, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 10-2:257 4 VAL HN 3.50 (# 257:10 Single
Ambig)
&rst
ixpk= 257, nxpk= 10, iat= -1, 47, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 776, 777, 801, 802,
&end
#
# 3 ASP HB- 4 VAL HN 4.50 (# 258:10 Unique
2.96, 3.77 A)
&rst
ixpk= 258, nxpk= 10, iat= -1, 47, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 39, 40,
&end
#
# 4 VAL MGY 4 VAL HN 3.50 (# 259:10 Unique
2.18, 4.18 A)
&rst
ixpk= 259, nxpk= 10, iat= -1, 47, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 53, 54, 55, 57, 58, 59,
&end
#
# 4 VAL MGX 4 VAL HN 3.50 (# 260:10 Unique
2.18, 4.18 A)
&rst
ixpk= 260, nxpk= 10, iat= -1, 47, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 53, 54, 55, 57, 58, 59,
&end
#
# 154 GLU HA 155 GLU HN 2.80 (# 261:10 Unique
2.22, 2.44 A)
&rst
ixpk= 261, nxpk= 10, iat=2319,2332, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 0 AMB 10-2:262 155 GLU HN 3.50 (# 262:10 Single
Ambig)
&rst
ixpk= 262, nxpk= 10, iat= -1,2332, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1=2324,2325,2324,2325,2339,2340,2339,2340,
&end
#
# 0 AMB 10-2:263 155 GLU HN 3.50 (# 263:10 Single
Ambig)
&rst
ixpk= 263, nxpk= 10, iat= -1,2332, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=2321,2322,2336,2337,
&end
#
# 0 AMB 10-2:264 155 GLU HN 3.50 (# 264:10 Single
Ambig)
&rst
ixpk= 264, nxpk= 10, iat= -1,2332, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=2321,2322,2336,2337,
&end
#
# 156 GLU HN 155 GLU HN 4.50 (# 265:10 Unique
2.19, 4.02 A)
&rst
ixpk= 265, nxpk= 10, iat=2347,2332, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 125 THR HB 126 GLN HN 2.80 (# 266:10 Unique
2.69, 2.84 A)
&rst
ixpk= 266, nxpk= 10, iat=1883,1893, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 125 THR HA 126 GLN HN 2.80 (# 267:10 Unique
2.21, 2.32 A)
&rst
ixpk= 267, nxpk= 10, iat=1881,1893, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 0 AMB 10-2:268 126 GLN HN 2.80 (# 268:10 Single
Ambig)
&rst
ixpk= 268, nxpk= 10, iat= -1,1893, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr1=1911,1912,1895,
&end
#
# 127 PRO HD- 126 GLN HN 3.50 (# 269:10 Unique
2.35, 3.00 A)
&rst
ixpk= 269, nxpk= 10, iat= -1,1893, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1911,1912,
&end
#
# 0 AMB 10-2:270 126 GLN HN 3.50 (# 270:10 Single
Ambig)
&rst
ixpk= 270, nxpk= 10, iat= -1,1893, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1900,1901,1900,1901,
&end
#
# 126 GLN HB+ 126 GLN HN 2.80 (# 271:10 Unique
2.13, 2.40 A)
&rst
ixpk= 271, nxpk= 10, iat= -1,1893, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1=1897,1898,
&end
#
# 125 THR MG2 126 GLN HN 4.50 (# 272:10 Unique
2.38, 4.40 A)
&rst
ixpk= 272, nxpk= 10, iat= -1,1893, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1=1885,1886,1887,
&end
#
# 0 AMB 10-2:273 8 VAL HN 4.50 (# 273:10 Single
Ambig)
&rst
ixpk= 273, nxpk= 10, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 896, 861,
&end
#
# 7 CYS HA 8 VAL HN 2.80 (# 274:10 Unique
2.19, 2.26 A)
&rst
ixpk= 274, nxpk= 10, iat= 103, 112, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 8 VAL HA 8 VAL HN 3.50 (# 275:10 Unique
2.95, 2.97 A)
&rst
ixpk= 275, nxpk= 10, iat= 114, 112, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 19 GLY HA+ 8 VAL HN 4.50 (# 276:10 Unique
1.83, 2.55 A)
&rst
ixpk= 276, nxpk= 10, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 244, 245,
&end
#
# 0 AMB 10-2:277 8 VAL HN 3.50 (# 277:10 Single
Ambig)
&rst
ixpk= 277, nxpk= 10, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 105, 106, 898, 899,
&end
#
# 8 VAL HB 8 VAL HN 2.80 (# 278:10 Unique
2.70, 2.77 A)
&rst
ixpk= 278, nxpk= 10, iat= 116, 112, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 8 VAL MGY 8 VAL HN 3.50 (# 279:10 Unique
2.98, 4.30 A)
&rst
ixpk= 279, nxpk= 10, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 118, 119, 120, 122, 123, 124,
&end
#
# 8 VAL MGX 8 VAL HN 3.50 (# 280:10 Unique
2.98, 4.30 A)
&rst
ixpk= 280, nxpk= 10, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 118, 119, 120, 122, 123, 124,
&end
#
# 0 AMB 10-2:281 125 THR HN 2.80 (# 281:10 Single
Ambig)
&rst
ixpk= 281, nxpk= 10, iat= -1,1879, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1=1864,1881,
&end
#
# 124 MET HG- 125 THR HN 3.50 (# 282:10 Unique
2.64, 2.94 A)
&rst
ixpk= 282, nxpk= 10, iat= -1,1879, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1869,1870,
&end
#
# 124 MET HG+ 125 THR HN 3.50 (# 283:10 Unique
2.64, 2.94 A)
&rst
ixpk= 283, nxpk= 10, iat= -1,1879, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1869,1870,
&end
#
# 125 THR MG2 125 THR HN 3.50 (# 284:10 Unique
2.31, 3.54 A)
&rst
ixpk= 284, nxpk= 10, iat= -1,1879, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1=1885,1886,1887,
&end
#
# 83 GLU HN 82 ALA HN 3.50 (# 285:10 Unique
2.94, 3.00 A)
&rst
ixpk= 285, nxpk= 10, iat=1195,1185, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 81 ILE HN 82 ALA HN 3.50 (# 286:10 Unique
2.66, 2.72 A)
&rst
ixpk= 286, nxpk= 10, iat=1166,1185, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 82 ALA HA 82 ALA HN 3.50 (# 287:10 Unique
2.73, 2.74 A)
&rst
ixpk= 287, nxpk= 10, iat=1187,1185, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 81 ILE HA 82 ALA HN 3.50 (# 288:10 Unique
3.52, 3.53 A)
&rst
ixpk= 288, nxpk= 10, iat=1168,1185, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 81 ILE HB 82 ALA HN 3.50 (# 289:10 Unique
2.47, 2.60 A)
&rst
ixpk= 289, nxpk= 10, iat=1170,1185, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 82 ALA MB 82 ALA HN 2.80 (# 290:10 Unique
2.36, 2.83 A)
&rst
ixpk= 290, nxpk= 10, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr1=1189,1190,1191,
&end
#
# 81 ILE HG1- 82 ALA HN 4.50 (# 291:10 Unique
4.22, 4.66 A)
&rst
ixpk= 291, nxpk= 10, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1176,1177,
&end
#
# 81 ILE QG2 82 ALA HN 3.50 (# 292:10 Unique
3.32, 4.20 A)
&rst
ixpk= 292, nxpk= 10, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1=1172,1173,1174,
&end
#
# 0 AMB 10-2:293 25 LYS HN 2.80 (# 293:10 Single
Ambig)
&rst
ixpk= 293, nxpk= 10, iat= -1, 326, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr1= 328, 284, 303,
&end
#
# 0 AMB 10-2:294 25 LYS HN 3.50 (# 294:10 Single
Ambig)
&rst
ixpk= 294, nxpk= 10, iat= -1, 326, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 315, 316, 315, 316,
&end
#
# 0 AMB 10-2:295 25 LYS HN 2.80 (# 295:10 Single
Ambig)
&rst
ixpk= 295, nxpk= 10, iat= -1, 326, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1= 333, 334, 330, 331,
&end
#
# 25 LYS HG+ 25 LYS HN 3.50 (# 296:10 Unique
2.22, 2.87 A)
&rst
ixpk= 296, nxpk= 10, iat= -1, 326, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 333, 334,
&end
#
# 25 LYS HD- 25 LYS HN 4.50 (# 297:10 Unique
3.83, 4.44 A)
&rst
ixpk= 297, nxpk= 10, iat= -1, 326, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 336, 337,
&end
#
# 25 LYS HB+ 25 LYS HN 3.50 (# 298:10 Unique
2.48, 3.08 A)
&rst
ixpk= 298, nxpk= 10, iat= -1, 326, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 330, 331,
&end
#
# 130 ASP HN 129 LYS HN 3.50 (# 299:10 Unique
2.73, 2.80 A)
&rst
ixpk= 299, nxpk= 10, iat=1965,1943, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 128 ILE HN 129 LYS HN 3.50 (# 300:10 Unique
2.56, 2.63 A)
&rst
ixpk= 300, nxpk= 10, iat=1924,1943, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 10-2:301 129 LYS HN 3.50 (# 301:10 Single
Ambig)
&rst
ixpk= 301, nxpk= 10, iat= -1,1943, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1=1895,1911,1912,
&end
#
# 128 ILE HA 129 LYS HN 3.50 (# 302:10 Unique
3.59, 3.61 A)
&rst
ixpk= 302, nxpk= 10, iat=1926,1943, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 10-2:303 129 LYS HN 3.50 (# 303:10 Single
Ambig)
&rst
ixpk= 303, nxpk= 10, iat= -1,1943, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1=1945,1911,1912,
&end
#
# 0 AMB 10-2:304 129 LYS HN 3.50 (# 304:10 Single
Ambig)
&rst
ixpk= 304, nxpk= 10, iat= -1,1943, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1869,1870,1969,1970,
&end
#
# 128 ILE HB 129 LYS HN 3.50 (# 305:10 Unique
2.74, 2.90 A)
&rst
ixpk= 305, nxpk= 10, iat=1928,1943, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 129 LYS HB+ 129 LYS HN 3.50 (# 306:10 Unique
2.08, 3.02 A)
&rst
ixpk= 306, nxpk= 10, iat= -1,1943, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1947,1948,
&end
#
# 129 LYS HB- 129 LYS HN 3.50 (# 307:10 Unique
2.08, 3.02 A)
&rst
ixpk= 307, nxpk= 10, iat= -1,1943, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1947,1948,
&end
#
# 0 AMB 10-2:308 129 LYS HN 3.50 (# 308:10 Single
Ambig)
&rst
ixpk= 308, nxpk= 10, iat= -1,1943, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1953,1954,1866,1867,1981,1982,1983,1934,1935,
&end
#
# 0 AMB 10-2:309 129 LYS HN 2.80 (# 309:10 Single
Ambig)
&rst
ixpk= 309, nxpk= 10, iat= -1,1943, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1=1950,1951,1950,1951,
&end
#
# 128 ILE QG2 129 LYS HN 3.50 (# 310:10 Unique
3.50, 4.36 A)
&rst
ixpk= 310, nxpk= 10, iat= -1,1943, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1=1930,1931,1932,
&end
#
# 128 ILE QD1 129 LYS HN 4.50 (# 311:10 Unique
4.43, 5.20 A)
&rst
ixpk= 311, nxpk= 10, iat= -1,1943, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1=1937,1938,1939,
&end
#
# 121 TYR HN 122 TYR HN 3.50 (# 312:10 Unique
1.78, 2.66 A)
&rst
ixpk= 312, nxpk= 10, iat=1806,1827, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 122 TYR HD 122 TYR HN 4.50 (# 313:10 Unique
2.54, 3.93 A)
&rst
ixpk= 313, nxpk= 10, iat= -1,1827, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1835,1844,
&end
#
# 0 AMB 10-2:314 122 TYR HN 3.50 (# 314:10 Single
Ambig)
&rst
ixpk= 314, nxpk= 10, iat= -1,1827, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1829,1788,
&end
#
# 121 TYR HA 122 TYR HN 3.50 (# 315:10 Unique
2.55, 3.13 A)
&rst
ixpk= 315, nxpk= 10, iat=1808,1827, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 122 TYR HB+ 122 TYR HN 3.50 (# 316:10 Unique
2.20, 2.95 A)
&rst
ixpk= 316, nxpk= 10, iat= -1,1827, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1831,1832,
&end
#
# 122 TYR HB- 122 TYR HN 2.80 (# 317:10 Unique
2.20, 2.95 A)
&rst
ixpk= 317, nxpk= 10, iat= -1,1827, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1=1831,1832,
&end
#
# 24 GLU HN 25 LYS HN 3.50 (# 318:10 Unique
2.65, 2.70 A)
&rst
ixpk= 318, nxpk= 10, iat= 311, 326, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 10-2:319 25 LYS HN 3.50 (# 319:10 Single
Ambig)
&rst
ixpk= 319, nxpk= 10, iat= -1, 326, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 348, 359,
&end
#
# 0 AMB 10-2:320 62 ASP HN 4.50 (# 320:10 Single
Ambig)
&rst
ixpk= 320, nxpk= 10, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1=1677,1678, 908,
&end
#
# 62 ASP HA 62 ASP HN 3.50 (# 321:10 Unique
2.85, 2.87 A)
&rst
ixpk= 321, nxpk= 10, iat= 896, 894, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 62 ASP HB- 62 ASP HN 3.50 (# 322:10 Unique
3.01, 3.27 A)
&rst
ixpk= 322, nxpk= 10, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 898, 899,
&end
#
# 61 VAL MGX 62 ASP HN 3.50 (# 323:10 Unique
2.58, 4.23 A)
&rst
ixpk= 323, nxpk= 10, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 884, 885, 886, 888, 889, 890,
&end
#
# 0 AMB 10-2:324 62 ASP HN 3.50 (# 324:10 Single
Ambig)
&rst
ixpk= 324, nxpk= 10, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1= 884, 885, 886, 888, 889, 890,1665,1666,1667,1669,
1670,1671,
&end
#
# 0 AMB 10-2:325 60 ILE HN 3.50 (# 325:10 Single
Ambig)
&rst
ixpk= 325, nxpk= 10, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 4.58, r4=
5.08,
igr1= 844, 845, 865, 866, 867,
&end
#
# 50 ILE HN 49 ALA HN 3.50 (# 326:10 Unique
2.59, 2.66 A)
&rst
ixpk= 326, nxpk= 10, iat= 668, 658, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 48 VAL HN 49 ALA HN 3.50 (# 327:10 Unique
2.76, 2.80 A)
&rst
ixpk= 327, nxpk= 10, iat= 642, 658, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 46 ASP HA 49 ALA HN 3.50 (# 328:10 Unique
2.73, 2.87 A)
&rst
ixpk= 328, nxpk= 10, iat= 613, 658, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 49 ALA HA 49 ALA HN 2.80 (# 329:10 Unique
2.83, 2.85 A)
&rst
ixpk= 329, nxpk= 10, iat= 660, 658, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 0 AMB 10-2:330 49 ALA HN 3.50 (# 330:10 Single
Ambig)
&rst
ixpk= 330, nxpk= 10, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1= 644, 625, 670,
&end
#
# 48 VAL HB 49 ALA HN 2.80 (# 331:10 Unique
2.69, 2.76 A)
&rst
ixpk= 331, nxpk= 10, iat= 646, 658, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 0 AMB 10-2:332 49 ALA HN 4.50 (# 332:10 Single
Ambig)
&rst
ixpk= 332, nxpk= 10, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1= 672, 627, 733,
&end
#
# 49 ALA MB 49 ALA HN 2.80 (# 333:10 Unique
2.47, 2.89 A)
&rst
ixpk= 333, nxpk= 10, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr1= 662, 663, 664,
&end
#
# 48 VAL MGY 49 ALA HN 3.50 (# 334:10 Unique
3.86, 4.71 A)
&rst
ixpk= 334, nxpk= 10, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 648, 649, 650, 652, 653, 654,
&end
#
# 48 VAL MGX 49 ALA HN 3.50 (# 335:10 Unique
3.86, 4.71 A)
&rst
ixpk= 335, nxpk= 10, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 648, 649, 650, 652, 653, 654,
&end
#
# 123 PRO HA 124 MET HN 2.80 (# 336:10 Unique
2.23, 2.33 A)
&rst
ixpk= 336, nxpk= 10, iat=1858,1862, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 124 MET HA 124 MET HN 3.50 (# 337:10 Unique
2.83, 2.91 A)
&rst
ixpk= 337, nxpk= 10, iat=1864,1862, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 123 PRO HB+ 124 MET HN 3.50 (# 338:10 Unique
2.92, 3.49 A)
&rst
ixpk= 338, nxpk= 10, iat= -1,1862, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1855,1856,
&end
#
# 124 MET HB+ 124 MET HN 2.80 (# 339:10 Unique
2.26, 2.53 A)
&rst
ixpk= 339, nxpk= 10, iat= -1,1862, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1=1866,1867,
&end
#
# 123 PRO HB- 124 MET HN 3.50 (# 340:10 Unique
2.92, 3.49 A)
&rst
ixpk= 340, nxpk= 10, iat= -1,1862, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1855,1856,
&end
#
# 124 MET HB- 124 MET HN 2.80 (# 341:10 Unique
2.26, 2.53 A)
&rst
ixpk= 341, nxpk= 10, iat= -1,1862, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1=1866,1867,
&end
#
# 61 VAL HA 62 ASP HN 2.80 (# 342:10 Unique
2.20, 2.24 A)
&rst
ixpk= 342, nxpk= 10, iat= 880, 894, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 62 ASP HB+ 62 ASP HN 3.50 (# 343:10 Unique
3.01, 3.27 A)
&rst
ixpk= 343, nxpk= 10, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 898, 899,
&end
#
# 21 LEU HA 22 LEU HN 4.50 (# 344:10 Unique
3.61, 3.67 A)
&rst
ixpk= 344, nxpk= 10, iat= 265, 282, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 22 LEU HA 22 LEU HN 3.50 (# 345:10 Unique
2.89, 2.90 A)
&rst
ixpk= 345, nxpk= 10, iat= 284, 282, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 22 LEU HB+ 22 LEU HN 2.80 (# 346:10 Unique
2.00, 2.68 A)
&rst
ixpk= 346, nxpk= 10, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1= 286, 287,
&end
#
# 21 LEU HB+ 22 LEU HN 3.50 (# 347:10 Unique
2.83, 3.52 A)
&rst
ixpk= 347, nxpk= 10, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 267, 268,
&end
#
# 22 LEU HG 22 LEU HN 4.50 (# 348:10 Unique
3.20, 3.52 A)
&rst
ixpk= 348, nxpk= 10, iat= 289, 282, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 10-2:349 22 LEU HN 2.80 (# 349:10 Single
Ambig)
&rst
ixpk= 349, nxpk= 10, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr1= 267, 268, 270,
&end
#
# 22 LEU HB- 22 LEU HN 2.80 (# 350:10 Unique
2.00, 2.68 A)
&rst
ixpk= 350, nxpk= 10, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1= 286, 287,
&end
#
# 0 AMB 10-2:351 22 LEU HN 3.50 (# 351:10 Single
Ambig)
&rst
ixpk= 351, nxpk= 10, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1=1993,1994,1995,1997,1998,1999, 291, 292, 293, 295,
296, 297,
&end
#
# 21 LEU MDY 22 LEU HN 4.50 (# 352:10 Unique
3.91, 5.43 A)
&rst
ixpk= 352, nxpk= 10, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1= 272, 273, 274, 276, 277, 278,
&end
#
# 0 AMB 10-2:353 22 LEU HN 3.50 (# 353:10 Single
Ambig)
&rst
ixpk= 353, nxpk= 10, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1=1993,1994,1995,1997,1998,1999, 291, 292, 293, 295,
296, 297,
&end
#
# 30 PRO HB- 31 LYS HN 3.50 (# 354:10 Unique
2.78, 3.52 A)
&rst
ixpk= 354, nxpk= 10, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 396, 397,
&end
#
# 0 AMB 10-2:355 31 LYS HN 2.80 (# 355:10 Single
Ambig)
&rst
ixpk= 355, nxpk= 10, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1= 399, 405,
&end
#
# 26 CYS HA 31 LYS HN 4.50 (# 356:10 Unique
3.20, 3.91 A)
&rst
ixpk= 356, nxpk= 10, iat= 350, 403, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 30 PRO HB+ 31 LYS HN 3.50 (# 357:10 Unique
2.78, 3.52 A)
&rst
ixpk= 357, nxpk= 10, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 396, 397,
&end
#
# 0 AMB 10-2:358 31 LYS HN 3.50 (# 358:10 Single
Ambig)
&rst
ixpk= 358, nxpk= 10, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 407, 408, 413, 414,
&end
#
# 31 LYS HB- 31 LYS HN 3.50 (# 359:10 Unique
2.24, 3.07 A)
&rst
ixpk= 359, nxpk= 10, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 407, 408,
&end
#
# 31 LYS HG+ 31 LYS HN 3.50 (# 360:10 Unique
1.79, 2.96 A)
&rst
ixpk= 360, nxpk= 10, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 410, 411,
&end
#
# 0 AMB 10-2:361 120 PHE HN 5.50 (# 361:10 Single
Ambig)
&rst
ixpk= 361, nxpk= 10, iat= -1,1786, r1= 1.30, r2= 1.80, r3= 7.19, r4=
7.69,
igr1= 188, 189, 190, 181, 182,
&end
#
# 120 PHE HA 120 PHE HN 3.50 (# 362:10 Unique
2.83, 2.87 A)
&rst
ixpk= 362, nxpk= 10, iat=1788,1786, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 119 GLY HA+ 120 PHE HN 2.80 (# 363:10 Unique
2.33, 2.69 A)
&rst
ixpk= 363, nxpk= 10, iat= -1,1786, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1=1781,1782,
&end
#
# 119 GLY HA- 120 PHE HN 3.50 (# 364:10 Unique
2.33, 2.69 A)
&rst
ixpk= 364, nxpk= 10, iat= -1,1786, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1781,1782,
&end
#
# 120 PHE HB- 120 PHE HN 2.80 (# 365:10 Unique
2.39, 3.03 A)
&rst
ixpk= 365, nxpk= 10, iat= -1,1786, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1=1790,1791,
&end
#
# 120 PHE HB+ 120 PHE HN 3.50 (# 366:10 Unique
2.39, 3.03 A)
&rst
ixpk= 366, nxpk= 10, iat= -1,1786, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1790,1791,
&end
#
# 73 ILE HA 73 ILE HN 3.50 (# 367:10 Unique
2.93, 2.95 A)
&rst
ixpk= 367, nxpk= 10, iat=1037,1035, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 72 GLU HA 73 ILE HN 2.80 (# 368:10 Unique
2.16, 2.21 A)
&rst
ixpk= 368, nxpk= 10, iat=1022,1035, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 0 AMB 10-2:369 0 AMB 10-1:369 4.50 (# 369:10 Double
Ambig)
&rst
ixpk= 369, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4=
8.68,
igr1=2324,2325,2324,2325,1027,1028,2339,2340,2339,2340,
1364,1365,
igr2=2301,1035,1340,
&end
#
# 73 ILE HG1+ 73 ILE HN 2.80 (# 370:10 Unique
2.79, 3.45 A)
&rst
ixpk= 370, nxpk= 10, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1=1045,1046,
&end
#
# 0 AMB 10-2:371 0 AMB 10-1:371 2.80 (# 371:10 Double
Ambig)
&rst
ixpk= 371, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4=
4.46,
igr1=2295,2296,2297,1039,
igr2=2301,1035,
&end
#
# 73 ILE HG1- 73 ILE HN 3.50 (# 372:10 Unique
2.79, 3.45 A)
&rst
ixpk= 372, nxpk= 10, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1045,1046,
&end
#
# 73 ILE QG2 73 ILE HN 4.50 (# 373:10 Unique
4.25, 4.48 A)
&rst
ixpk= 373, nxpk= 10, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1=1041,1042,1043,
&end
#
# 136 TYR HN 135 VAL HN 3.50 (# 374:10 Unique
2.41, 2.62 A)
&rst
ixpk= 374, nxpk= 10, iat=2048,2032, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 10-2:375 0 AMB 10-1:375 2.80 (# 375:10 Double
Ambig)
&rst
ixpk= 375, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1=2018, 326,
igr2=2032, 311,
&end
#
# 134 THR HB 135 VAL HN 3.50 (# 376:10 Unique
2.76, 2.94 A)
&rst
ixpk= 376, nxpk= 10, iat=2022,2032, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 135 VAL HA 135 VAL HN 3.50 (# 377:10 Unique
2.86, 2.88 A)
&rst
ixpk= 377, nxpk= 10, iat=2034,2032, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 132 VAL HA 135 VAL HN 3.50 (# 378:10 Unique
3.11, 3.22 A)
&rst
ixpk= 378, nxpk= 10, iat=1989,2032, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 135 VAL HB 135 VAL HN 2.80 (# 379:10 Unique
2.17, 2.46 A)
&rst
ixpk= 379, nxpk= 10, iat=2036,2032, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 0 AMB 10-2:380 0 AMB 10-1:380 4.50 (# 380:10 Double
Ambig)
&rst
ixpk= 380, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4=
8.68,
igr1=1993,1994,1995,1997,1998,1999, 291, 292, 293, 295,
296, 297, 492, 493, 494, 496, 497, 498,
igr2=2032, 311,
&end
#
# 135 VAL MGY 135 VAL HN 2.80 (# 381:10 Unique
1.98, 3.76 A)
&rst
ixpk= 381, nxpk= 10, iat= -1,2032, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1=2038,2039,2040,2042,2043,2044,
&end
#
# 135 VAL MGX 135 VAL HN 3.50 (# 382:10 Unique
1.98, 3.76 A)
&rst
ixpk= 382, nxpk= 10, iat= -1,2032, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1=2038,2039,2040,2042,2043,2044,
&end
#
# 28 ALA HN 27 ALA HN 2.80 (# 383:10 Unique
2.74, 2.77 A)
&rst
ixpk= 383, nxpk= 10, iat= 369, 359, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 26 CYS HA 27 ALA HN 4.50 (# 384:10 Unique
3.59, 3.61 A)
&rst
ixpk= 384, nxpk= 10, iat= 350, 359, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 27 ALA HA 27 ALA HN 2.80 (# 385:10 Unique
2.81, 2.82 A)
&rst
ixpk= 385, nxpk= 10, iat= 361, 359, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 24 GLU HA 27 ALA HN 4.50 (# 386:10 Unique
3.25, 3.48 A)
&rst
ixpk= 386, nxpk= 10, iat= 313, 359, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 10-2:387 27 ALA HN 3.50 (# 387:10 Single
Ambig)
&rst
ixpk= 387, nxpk= 10, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 303, 328, 390, 391,
&end
#
# 26 CYS HB- 27 ALA HN 3.50 (# 388:10 Unique
2.65, 3.27 A)
&rst
ixpk= 388, nxpk= 10, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 352, 353,
&end
#
# 26 CYS HB+ 27 ALA HN 3.50 (# 389:10 Unique
2.65, 3.27 A)
&rst
ixpk= 389, nxpk= 10, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 352, 353,
&end
#
# 27 ALA MB 27 ALA HN 2.80 (# 390:10 Unique
2.49, 2.90 A)
&rst
ixpk= 390, nxpk= 10, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr1= 363, 364, 365,
&end
#
# 56 THR HN 57 ARG HN 2.80 (# 391:10 Unique
2.18, 2.28 A)
&rst
ixpk= 391, nxpk= 10, iat= 783, 797, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 0 AMB 10-2:392 57 ARG HN 4.50 (# 392:10 Single
Ambig)
&rst
ixpk= 392, nxpk= 10, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 47, 35,
&end
#
# 0 AMB 10-2:393 57 ARG HN 3.50 (# 393:10 Single
Ambig)
&rst
ixpk= 393, nxpk= 10, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 37, 799,
&end
#
# 56 THR HA 57 ARG HN 3.50 (# 394:10 Unique
3.54, 3.56 A)
&rst
ixpk= 394, nxpk= 10, iat= 785, 797, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 55 PRO HA 57 ARG HN 4.50 (# 395:10 Unique
3.57, 3.71 A)
&rst
ixpk= 395, nxpk= 10, iat= 779, 797, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 56 THR HB 57 ARG HN 3.50 (# 396:10 Unique
2.40, 2.50 A)
&rst
ixpk= 396, nxpk= 10, iat= 787, 797, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 55 PRO HB+ 57 ARG HN 4.50 (# 397:10 Unique
2.84, 3.12 A)
&rst
ixpk= 397, nxpk= 10, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 776, 777,
&end
#
# 57 ARG HB+ 57 ARG HN 3.50 (# 398:10 Unique
2.71, 3.29 A)
&rst
ixpk= 398, nxpk= 10, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 801, 802,
&end
#
# 0 AMB 10-2:399 57 ARG HN 3.50 (# 399:10 Single
Ambig)
&rst
ixpk= 399, nxpk= 10, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 801, 802, 776, 777,
&end
#
# 56 THR MG2 57 ARG HN 4.50 (# 400:10 Unique
3.21, 4.24 A)
&rst
ixpk= 400, nxpk= 10, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1= 789, 790, 791,
&end
#
# 12 MET HN 11 SER HN 3.50 (# 401:10 Unique
3.10, 3.15 A)
&rst
ixpk= 401, nxpk= 10, iat= 160, 149, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 10-2:402 11 SER HN 3.50 (# 402:10 Single
Ambig)
&rst
ixpk= 402, nxpk= 10, iat= -1, 149, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1= 151, 153, 154,
&end
#
# 11 SER HB- 11 SER HN 3.50 (# 403:10 Unique
2.79, 3.11 A)
&rst
ixpk= 403, nxpk= 10, iat= -1, 149, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 153, 154,
&end
#
# 0 AMB 10-2:404 11 SER HN 3.50 (# 404:10 Single
Ambig)
&rst
ixpk= 404, nxpk= 10, iat= -1, 149, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 253, 254, 256, 257,
&end
#
# 0 AMB 10-2:405 75 ILE HN 3.50 (# 405:10 Single
Ambig)
&rst
ixpk= 405, nxpk= 10, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=2272,1054,
&end
#
# 74 ARG HA 75 ILE HN 2.80 (# 406:10 Unique
2.16, 2.24 A)
&rst
ixpk= 406, nxpk= 10, iat=1056,1078, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 0 AMB 10-2:407 75 ILE HN 2.80 (# 407:10 Single
Ambig)
&rst
ixpk= 407, nxpk= 10, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1=2257,1080,
&end
#
# 75 ILE HB 75 ILE HN 2.80 (# 408:10 Unique
2.23, 2.26 A)
&rst
ixpk= 408, nxpk= 10, iat=1082,1078, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 74 ARG HB- 75 ILE HN 3.50 (# 409:10 Unique
2.68, 3.40 A)
&rst
ixpk= 409, nxpk= 10, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1058,1059,
&end
#
# 75 ILE HG1- 75 ILE HN 3.50 (# 410:10 Unique
2.25, 3.10 A)
&rst
ixpk= 410, nxpk= 10, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1088,1089,
&end
#
# 75 ILE HG1+ 75 ILE HN 3.50 (# 411:10 Unique
2.25, 3.10 A)
&rst
ixpk= 411, nxpk= 10, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1088,1089,
&end
#
# 0 AMB 10-2:412 75 ILE HN 4.50 (# 412:10 Single
Ambig)
&rst
ixpk= 412, nxpk= 10, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 6.99, r4=
7.49,
igr1=1084,1085,1086,1660,1661,1623,1624,1625,2281,2282,
2283,2285,2286,2287,
&end
#
# 75 ILE QD1 75 ILE HN 3.50 (# 413:10 Unique
3.20, 4.08 A)
&rst
ixpk= 413, nxpk= 10, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1=1091,1092,1093,
&end
#
# 154 GLU HN 153 VAL HN 3.50 (# 414:10 Unique
2.74, 3.27 A)
&rst
ixpk= 414, nxpk= 10, iat=2317,2301, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 91 ASN HA 92 MET HN 3.50 (# 415:10 Unique
2.48, 2.81 A)
&rst
ixpk= 415, nxpk= 10, iat=1328,1340, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 86 MET HB- 92 MET HN 5.50 (# 416:10 Unique
3.45, 5.04 A)
&rst
ixpk= 416, nxpk= 10, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1251,1252,
&end
#
# 0 AMB 10-2:417 0 AMB 10-1:417 3.50 (# 417:10 Double
Ambig)
&rst
ixpk= 417, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1=2305,1024,1025,
igr2=2301,1035,
&end
#
# 0 AMB 10-2:418 153 VAL HN 2.80 (# 418:10 Single
Ambig)
&rst
ixpk= 418, nxpk= 10, iat= -1,2301, r1= 1.30, r2= 1.80, r3= 4.24, r4=
4.74,
igr1=2307,2308,2309,2311,2312,2313,2307,2308,2309,2311,
2312,2313,
&end
#
# 0 AMB 10-2:419 24 GLU HN 2.80 (# 419:10 Single
Ambig)
&rst
ixpk= 419, nxpk= 10, iat= -1, 311, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr1= 301, 282, 263,
&end
#
# 0 AMB 10-2:420 0 AMB 10-1:420 3.50 (# 420:10 Double
Ambig)
&rst
ixpk= 420, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 265,1979,
igr2= 311,2032,
&end
#
# 0 AMB 10-2:421 24 GLU HN 2.80 (# 421:10 Single
Ambig)
&rst
ixpk= 421, nxpk= 10, iat= -1, 311, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1= 313, 259,
&end
#
# 0 AMB 10-2:422 24 GLU HN 3.50 (# 422:10 Single
Ambig)
&rst
ixpk= 422, nxpk= 10, iat= -1, 311, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1= 303, 284, 328,
&end
#
# 0 AMB 10-2:423 0 AMB 10-1:423 4.50 (# 423:10 Double
Ambig)
&rst
ixpk= 423, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4=
7.64,
igr1= 318, 319, 105, 106,2073,2074,2010,2011,
igr2= 311,2032,
&end
#
# 0 AMB 10-2:424 24 GLU HN 2.80 (# 424:10 Single
Ambig)
&rst
ixpk= 424, nxpk= 10, iat= -1, 311, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1= 315, 316, 315, 316,
&end
#
# 0 AMB 10-2:425 0 AMB 10-1:425 2.80 (# 425:10 Double
Ambig)
&rst
ixpk= 425, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4=
4.74,
igr1= 305, 306, 307,2024,2025,2026,
igr2= 311,2032,
&end
#
# 108 VAL HN 107 GLU HN 4.50 (# 426:10 Unique
3.89, 4.35 A)
&rst
ixpk= 426, nxpk= 10, iat=1601,1586, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 106 GLY HN 107 GLU HN 3.50 (# 427:10 Unique
2.61, 2.78 A)
&rst
ixpk= 427, nxpk= 10, iat=1579,1586, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 57 ARG HA 107 GLU HN 3.50 (# 428:10 Unique
2.06, 2.15 A)
&rst
ixpk= 428, nxpk= 10, iat= 799,1586, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 107 GLU HA 107 GLU HN 3.50 (# 429:10 Unique
2.95, 2.99 A)
&rst
ixpk= 429, nxpk= 10, iat=1588,1586, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 10-2:430 107 GLU HN 4.50 (# 430:10 Single
Ambig)
&rst
ixpk= 430, nxpk= 10, iat= -1,1586, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1562, 787,
&end
#
# 106 GLY HA+ 107 GLU HN 3.50 (# 431:10 Unique
2.78, 3.27 A)
&rst
ixpk= 431, nxpk= 10, iat= -1,1586, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1581,1582,
&end
#
# 106 GLY HA- 107 GLU HN 3.50 (# 432:10 Unique
2.78, 3.27 A)
&rst
ixpk= 432, nxpk= 10, iat= -1,1586, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1581,1582,
&end
#
# 107 GLU HG+ 107 GLU HN 4.50 (# 433:10 Unique
4.28, 4.73 A)
&rst
ixpk= 433, nxpk= 10, iat= -1,1586, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1593,1594,
&end
#
# 107 GLU HB+ 107 GLU HN 3.50 (# 434:10 Unique
2.49, 2.99 A)
&rst
ixpk= 434, nxpk= 10, iat= -1,1586, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1590,1591,
&end
#
# 0 AMB 10-2:435 107 GLU HN 3.50 (# 435:10 Single
Ambig)
&rst
ixpk= 435, nxpk= 10, iat= -1,1586, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1590,1591, 801, 802,
&end
#
# 0 AMB 10-2:436 107 GLU HN 3.50 (# 436:10 Single
Ambig)
&rst
ixpk= 436, nxpk= 10, iat= -1,1586, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 804, 805, 804, 805,
&end
#
# 0 AMB 10-2:437 107 GLU HN 3.50 (# 437:10 Single
Ambig)
&rst
ixpk= 437, nxpk= 10, iat= -1,1586, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1=1607,1608,1609,1611,1612,1613,1607,1608,1609,1611,
1612,1613,
&end
#
# 105 ILE QG2 107 GLU HN 2.80 (# 438:10 Unique
1.99, 3.06 A)
&rst
ixpk= 438, nxpk= 10, iat= -1,1586, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr1=1566,1567,1568,
&end
#
# 141 GLY HN 142 TRP HN 3.50 (# 439:10 Unique
1.82, 2.02 A)
&rst
ixpk= 439, nxpk= 10, iat=2144,2151, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 10-2:440 142 TRP HN 4.50 (# 440:10 Single
Ambig)
&rst
ixpk= 440, nxpk= 10, iat= -1,2151, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=2175,2129,
&end
#
# 0 AMB 10-2:441 0 AMB 10-1:441 4.50 (# 441:10 Double
Ambig)
&rst
ixpk= 441, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 459,2159,
igr2=2151,2225,
&end
#
# 139 LEU HA 142 TRP HN 4.50 (# 442:10 Unique
2.76, 3.23 A)
&rst
ixpk= 442, nxpk= 10, iat=2112,2151, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 10-2:443 142 TRP HN 4.50 (# 443:10 Single
Ambig)
&rst
ixpk= 443, nxpk= 10, iat= -1,2151, r1= 1.30, r2= 1.80, r3= 5.88, r4=
6.38,
igr1=2131, 427, 428, 427, 428,
&end
#
# 0 AMB 10-2:444 142 TRP HN 2.80 (# 444:10 Single
Ambig)
&rst
ixpk= 444, nxpk= 10, iat= -1,2151, r1= 1.30, r2= 1.80, r3= 3.66, r4=
4.16,
igr1=2153,2146,2147,2146,2147,
&end
#
# 142 TRP HB+ 142 TRP HN 2.80 (# 445:10 Unique
2.10, 2.60 A)
&rst
ixpk= 445, nxpk= 10, iat= -1,2151, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1=2155,2156,
&end
#
# 0 AMB 10-2:446 0 AMB 10-1:446 2.80 (# 446:10 Double
Ambig)
&rst
ixpk= 446, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4=
4.46,
igr1=2155,2156,2220,2221,
igr2=2151,2225,
&end
#
# 129 LYS HN 128 ILE HN 3.50 (# 447:10 Unique
2.56, 2.63 A)
&rst
ixpk= 447, nxpk= 10, iat=1943,1924, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 10-2:448 128 ILE HN 4.50 (# 448:10 Single
Ambig)
&rst
ixpk= 448, nxpk= 10, iat= -1,1924, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1883,1920,
&end
#
# 0 AMB 10-2:449 128 ILE HN 4.50 (# 449:10 Single
Ambig)
&rst
ixpk= 449, nxpk= 10, iat= -1,1924, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1=1911,1912,1895,
&end
#
# 128 ILE HA 128 ILE HN 3.50 (# 450:10 Unique
2.79, 2.83 A)
&rst
ixpk= 450, nxpk= 10, iat=1926,1924, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 10-2:451 128 ILE HN 2.80 (# 451:10 Single
Ambig)
&rst
ixpk= 451, nxpk= 10, iat= -1,1924, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr1=1928,1914,1915,
&end
#
# 0 AMB 10-2:452 128 ILE HN 3.50 (# 452:10 Single
Ambig)
&rst
ixpk= 452, nxpk= 10, iat= -1,1924, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1=1934,1935,1981,1982,1983,1885,1886,1887,
&end
#
# 0 AMB 10-2:453 128 ILE HN 3.50 (# 453:10 Single
Ambig)
&rst
ixpk= 453, nxpk= 10, iat= -1,1924, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1917,1918,1950,1951,
&end
#
# 0 AMB 10-2:454 128 ILE HN 4.50 (# 454:10 Single
Ambig)
&rst
ixpk= 454, nxpk= 10, iat= -1,1924, r1= 1.30, r2= 1.80, r3= 5.88, r4=
6.38,
igr1=1930,1931,1932,1754,1755,
&end
#
# 128 ILE QD1 128 ILE HN 3.50 (# 455:10 Unique
2.09, 2.82 A)
&rst
ixpk= 455, nxpk= 10, iat= -1,1924, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1=1937,1938,1939,
&end
#
# 149 ALA HN 148 PHE HN 4.50 (# 457:10 Unique
4.47, 4.54 A)
&rst
ixpk= 457, nxpk= 10, iat=2245,2225, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 147 GLY HN 148 PHE HN 3.50 (# 458:10 Unique
1.79, 2.86 A)
&rst
ixpk= 458, nxpk= 10, iat=2218,2225, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 148 PHE HD 148 PHE HN 2.80 (# 459:10 Unique
2.56, 3.68 A)
&rst
ixpk= 459, nxpk= 10, iat= -1,2225, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1=2233,2241,
&end
#
# 148 PHE HA 148 PHE HN 3.50 (# 460:10 Unique
2.82, 2.88 A)
&rst
ixpk= 460, nxpk= 10, iat=2227,2225, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 147 GLY HA+ 148 PHE HN 3.50 (# 461:10 Unique
3.20, 3.42 A)
&rst
ixpk= 461, nxpk= 10, iat= -1,2225, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=2220,2221,
&end
#
# 0 AMB 10-2:462 148 PHE HN 3.50 (# 462:10 Single
Ambig)
&rst
ixpk= 462, nxpk= 10, iat= -1,2225, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=2229,2230,2201,2202,
&end
#
# 148 PHE HB- 148 PHE HN 2.80 (# 463:10 Unique
2.24, 2.91 A)
&rst
ixpk= 463, nxpk= 10, iat= -1,2225, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1=2229,2230,
&end
#
# 44 GLU HB+ 44 GLU HN 3.50 (# 464:10 Unique
2.44, 3.18 A)
&rst
ixpk= 464, nxpk= 10, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 586, 587,
&end
#
# 45 ASN HN 44 GLU HN 3.50 (# 465:10 Unique
2.54, 2.69 A)
&rst
ixpk= 465, nxpk= 10, iat= 597, 582, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 44 GLU HA 44 GLU HN 3.50 (# 466:10 Unique
2.82, 2.85 A)
&rst
ixpk= 466, nxpk= 10, iat= 584, 582, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 44 GLU HB- 44 GLU HN 3.50 (# 467:10 Unique
2.44, 3.18 A)
&rst
ixpk= 467, nxpk= 10, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 586, 587,
&end
#
# 0 AMB 10-2:468 44 GLU HN 3.50 (# 468:10 Single
Ambig)
&rst
ixpk= 468, nxpk= 10, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1= 572, 573, 572, 573, 575, 576, 575, 576,
&end
#
# 24 GLU HN 23 ALA HN 3.50 (# 469:10 Unique
2.71, 2.85 A)
&rst
ixpk= 469, nxpk= 10, iat= 311, 301, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 20 PRO HA 23 ALA HN 3.50 (# 470:10 Unique
3.12, 3.42 A)
&rst
ixpk= 470, nxpk= 10, iat= 259, 301, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 10-2:471 23 ALA HN 3.50 (# 471:10 Single
Ambig)
&rst
ixpk= 471, nxpk= 10, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 303, 284,
&end
#
# 0 AMB 10-2:472 23 ALA HN 3.50 (# 472:10 Single
Ambig)
&rst
ixpk= 472, nxpk= 10, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 286, 287, 339, 340,
&end
#
# 22 LEU HG 23 ALA HN 3.50 (# 473:10 Unique
2.53, 2.78 A)
&rst
ixpk= 473, nxpk= 10, iat= 289, 301, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 23 ALA MB 23 ALA HN 2.80 (# 474:10 Unique
2.36, 2.95 A)
&rst
ixpk= 474, nxpk= 10, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr1= 305, 306, 307,
&end
#
# 22 LEU HB- 23 ALA HN 3.50 (# 475:10 Unique
3.36, 3.89 A)
&rst
ixpk= 475, nxpk= 10, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 286, 287,
&end
#
# 22 LEU MDX 23 ALA HN 4.50 (# 476:10 Unique
3.65, 4.91 A)
&rst
ixpk= 476, nxpk= 10, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1= 291, 292, 293, 295, 296, 297,
&end
#
# 64 THR HN 113 ILE HN 3.50 (# 477:10 Unique
2.13, 2.25 A)
&rst
ixpk= 477, nxpk= 10, iat= 916,1682, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 10-2:478 113 ILE HN 2.80 (# 478:10 Single
Ambig)
&rst
ixpk= 478, nxpk= 10, iat= -1,1682, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr1= 908,1677,1678,
&end
#
# 112 GLY HA- 113 ILE HN 3.50 (# 479:10 Unique
2.27, 2.64 A)
&rst
ixpk= 479, nxpk= 10, iat= -1,1682, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1677,1678,
&end
#
# 113 ILE HG1- 113 ILE HN 3.50 (# 480:10 Unique
3.04, 3.67 A)
&rst
ixpk= 480, nxpk= 10, iat= -1,1682, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1692,1693,
&end
#
# 113 ILE HB 113 ILE HN 3.50 (# 481:10 Unique
2.51, 2.58 A)
&rst
ixpk= 481, nxpk= 10, iat=1686,1682, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 10-2:482 113 ILE HN 4.50 (# 482:10 Single
Ambig)
&rst
ixpk= 482, nxpk= 10, iat= -1,1682, r1= 1.30, r2= 1.80, r3= 6.71, r4=
7.21,
igr1=1692,1693, 884, 885, 886, 888, 889, 890,1110,1111,
1112,
&end
#
# 0 AMB 10-2:483 113 ILE HN 4.50 (# 483:10 Single
Ambig)
&rst
ixpk= 483, nxpk= 10, iat= -1,1682, r1= 1.30, r2= 1.80, r3= 6.49, r4=
6.99,
igr1=1688,1689,1690,1665,1666,1667,1669,1670,1671,
&end
#
# 0 AMB 10-2:484 113 ILE HN 3.50 (# 484:10 Single
Ambig)
&rst
ixpk= 484, nxpk= 10, iat= -1,1682, r1= 1.30, r2= 1.80, r3= 5.22, r4=
5.72,
igr1=1695,1696,1697,1665,1666,1667,1669,1670,1671,1045,
1046,
&end
#
# 98 ILE HN 97 LEU HN 3.50 (# 485:10 Unique
2.30, 2.50 A)
&rst
ixpk= 485, nxpk= 10, iat=1444,1425, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 94 LEU HA 97 LEU HN 4.50 (# 486:10 Unique
2.86, 3.30 A)
&rst
ixpk= 486, nxpk= 10, iat=1373,1425, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 97 LEU HA 97 LEU HN 3.50 (# 487:10 Unique
2.83, 2.89 A)
&rst
ixpk= 487, nxpk= 10, iat=1427,1425, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 10-2:488 97 LEU HN 3.50 (# 488:10 Single
Ambig)
&rst
ixpk= 488, nxpk= 10, iat= -1,1425, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1408,1409,1408,1409,
&end
#
# 97 LEU HB- 97 LEU HN 2.80 (# 489:10 Unique
1.86, 2.37 A)
&rst
ixpk= 489, nxpk= 10, iat= -1,1425, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1=1429,1430,
&end
#
# 97 LEU HB+ 97 LEU HN 2.80 (# 490:10 Unique
1.86, 2.37 A)
&rst
ixpk= 490, nxpk= 10, iat= -1,1425, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1=1429,1430,
&end
#
# 0 AMB 10-2:491 97 LEU HN 4.50 (# 491:10 Single
Ambig)
&rst
ixpk= 491, nxpk= 10, iat= -1,1425, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1=1432,1375,1376,
&end
#
# 0 AMB 10-2:492 97 LEU HN 3.50 (# 492:10 Single
Ambig)
&rst
ixpk= 492, nxpk= 10, iat= -1,1425, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1=1380,1381,1382,1384,1385,1386,1434,1435,1436,1438,
1439,1440,
&end
#
# 0 AMB 10-2:493 97 LEU HN 4.50 (# 493:10 Single
Ambig)
&rst
ixpk= 493, nxpk= 10, iat= -1,1425, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1=1434,1435,1436,1438,1439,1440,1457,1458,1459,1172,
1173,1174,
&end
#
# 117 ILE HN 116 ASP HN 3.50 (# 494:10 Unique
1.81, 1.93 A)
&rst
ixpk= 494, nxpk= 10, iat=1744,1732, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 116 ASP HA 116 ASP HN 3.50 (# 495:10 Unique
2.93, 2.97 A)
&rst
ixpk= 495, nxpk= 10, iat=1734,1732, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 115 PRO HA 116 ASP HN 3.50 (# 496:10 Unique
2.33, 2.40 A)
&rst
ixpk= 496, nxpk= 10, iat=1728,1732, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 116 ASP HB+ 116 ASP HN 3.50 (# 497:10 Unique
2.66, 3.02 A)
&rst
ixpk= 497, nxpk= 10, iat= -1,1732, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1736,1737,
&end
#
# 15 ASP HB+ 116 ASP HN 3.50 (# 498:10 Unique
2.76, 3.33 A)
&rst
ixpk= 498, nxpk= 10, iat= -1,1732, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 205, 206,
&end
#
# 15 ASP HB- 116 ASP HN 3.50 (# 499:10 Unique
2.76, 3.33 A)
&rst
ixpk= 499, nxpk= 10, iat= -1,1732, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 205, 206,
&end
#
# 116 ASP HB- 116 ASP HN 3.50 (# 500:10 Unique
2.66, 3.02 A)
&rst
ixpk= 500, nxpk= 10, iat= -1,1732, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1736,1737,
&end
#
# 115 PRO HB+ 116 ASP HN 3.50 (# 501:10 Unique
2.51, 3.14 A)
&rst
ixpk= 501, nxpk= 10, iat= -1,1732, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1725,1726,
&end
#
# 0 AMB 10-2:502 116 ASP HN 3.50 (# 502:10 Single
Ambig)
&rst
ixpk= 502, nxpk= 10, iat= -1,1732, r1= 1.30, r2= 1.80, r3= 4.58, r4=
5.08,
igr1=1934,1935,1885,1886,1887,
&end
#
# 128 ILE QD1 116 ASP HN 3.50 (# 503:10 Unique
2.87, 3.99 A)
&rst
ixpk= 503, nxpk= 10, iat= -1,1732, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1=1937,1938,1939,
&end
#
# 122 TYR HN 121 TYR HN 3.50 (# 504:10 Unique
1.78, 2.66 A)
&rst
ixpk= 504, nxpk= 10, iat=1827,1806, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 120 PHE HA 121 TYR HN 2.80 (# 505:10 Unique
2.04, 2.11 A)
&rst
ixpk= 505, nxpk= 10, iat=1788,1806, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 121 TYR HA 121 TYR HN 2.80 (# 506:10 Unique
2.16, 2.22 A)
&rst
ixpk= 506, nxpk= 10, iat=1808,1806, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 0 AMB 10-2:507 121 TYR HN 3.50 (# 507:10 Single
Ambig)
&rst
ixpk= 507, nxpk= 10, iat= -1,1806, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1810,1811,1831,1832,
&end
#
# 0 AMB 10-2:508 97 LEU HN 4.50 (# 508:10 Single
Ambig)
&rst
ixpk= 508, nxpk= 10, iat= -1,1425, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1399,1400,1475,1492,
&end
#
# 150 GLN HA 150 GLN HN 3.50 (# 509:10 Unique
2.91, 2.93 A)
&rst
ixpk= 509, nxpk= 10, iat=2257,2255, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 149 ALA HA 150 GLN HN 2.80 (# 510:10 Unique
2.25, 2.31 A)
&rst
ixpk= 510, nxpk= 10, iat=2247,2255, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 150 GLN HG+ 150 GLN HN 4.50 (# 511:10 Unique
2.75, 4.32 A)
&rst
ixpk= 511, nxpk= 10, iat= -1,2255, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=2262,2263,
&end
#
# 0 AMB 10-2:512 150 GLN HN 2.80 (# 512:10 Single
Ambig)
&rst
ixpk= 512, nxpk= 10, iat= -1,2255, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1=2259,2260,2259,2260,
&end
#
# 149 ALA MB 150 GLN HN 2.80 (# 513:10 Unique
2.49, 3.55 A)
&rst
ixpk= 513, nxpk= 10, iat= -1,2255, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr1=2249,2250,2251,
&end
#
# 113 ILE HN 64 THR HN 3.50 (# 514:10 Unique
2.13, 2.25 A)
&rst
ixpk= 514, nxpk= 10, iat=1682, 916, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 63 ALA HA 64 THR HN 2.80 (# 515:10 Unique
2.26, 2.29 A)
&rst
ixpk= 515, nxpk= 10, iat= 908, 916, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 64 THR HA 64 THR HN 3.50 (# 516:10 Unique
2.93, 2.95 A)
&rst
ixpk= 516, nxpk= 10, iat= 918, 916, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 115 PRO HD+ 64 THR HN 3.50 (# 517:10 Unique
2.49, 3.22 A)
&rst
ixpk= 517, nxpk= 10, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1719,1720,
&end
#
# 0 AMB 10-2:518 64 THR HN 3.50 (# 518:10 Single
Ambig)
&rst
ixpk= 518, nxpk= 10, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1=1719,1720, 920,
&end
#
# 0 AMB 10-2:519 64 THR HN 4.50 (# 519:10 Single
Ambig)
&rst
ixpk= 519, nxpk= 10, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 5.88, r4=
6.38,
igr1= 953, 954, 955,1725,1726,
&end
#
# 63 ALA MB 64 THR HN 3.50 (# 520:10 Unique
3.00, 3.78 A)
&rst
ixpk= 520, nxpk= 10, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1= 910, 911, 912,
&end
#
# 0 AMB 10-2:521 64 THR HN 4.50 (# 521:10 Single
Ambig)
&rst
ixpk= 521, nxpk= 10, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1= 922, 923, 924,1930,1931,1932,
&end
#
# 44 GLU HN 45 ASN HN 3.50 (# 522:10 Unique
2.54, 2.69 A)
&rst
ixpk= 522, nxpk= 10, iat= 582, 597, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 45 ASN HA 45 ASN HN 3.50 (# 523:10 Unique
2.80, 2.83 A)
&rst
ixpk= 523, nxpk= 10, iat= 599, 597, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 10-2:524 45 ASN HN 2.80 (# 524:10 Single
Ambig)
&rst
ixpk= 524, nxpk= 10, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1= 601, 602, 601, 602,
&end
#
# 44 GLU HG- 45 ASN HN 3.50 (# 525:10 Unique
2.26, 3.63 A)
&rst
ixpk= 525, nxpk= 10, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 589, 590,
&end
#
# 42 ALA MB 45 ASN HN 4.50 (# 526:10 Unique
3.38, 4.55 A)
&rst
ixpk= 526, nxpk= 10, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1= 562, 563, 564,
&end
#
# 132 VAL HN 133 GLU HN 3.50 (# 527:10 Unique
2.52, 2.58 A)
&rst
ixpk= 527, nxpk= 10, iat=1987,2003, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 134 THR HN 133 GLU HN 3.50 (# 528:10 Unique
2.52, 2.64 A)
&rst
ixpk= 528, nxpk= 10, iat=2018,2003, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 130 ASP HA 133 GLU HN 3.50 (# 529:10 Unique
3.50, 3.53 A)
&rst
ixpk= 529, nxpk= 10, iat=1967,2003, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 133 GLU HA 133 GLU HN 3.50 (# 530:10 Unique
2.82, 2.83 A)
&rst
ixpk= 530, nxpk= 10, iat=2005,2003, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 132 VAL HA 133 GLU HN 4.50 (# 531:10 Unique
3.60, 3.62 A)
&rst
ixpk= 531, nxpk= 10, iat=1989,2003, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 10-2:532 133 GLU HN 3.50 (# 532:10 Single
Ambig)
&rst
ixpk= 532, nxpk= 10, iat= -1,2003, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 339, 340, 339, 340,2010,2011,
&end
#
# 133 GLU HG- 133 GLU HN 4.50 (# 533:10 Unique
4.13, 4.24 A)
&rst
ixpk= 533, nxpk= 10, iat= -1,2003, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=2010,2011,
&end
#
# 133 GLU HB+ 133 GLU HN 2.80 (# 534:10 Unique
2.10, 2.33 A)
&rst
ixpk= 534, nxpk= 10, iat= -1,2003, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1=2007,2008,
&end
#
# 0 AMB 10-2:535 133 GLU HN 2.80 (# 535:10 Single
Ambig)
&rst
ixpk= 535, nxpk= 10, iat= -1,2003, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr1=2007,2008,1991,
&end
#
# 132 VAL MGY 133 GLU HN 3.50 (# 536:10 Unique
3.28, 4.55 A)
&rst
ixpk= 536, nxpk= 10, iat= -1,2003, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1=1993,1994,1995,1997,1998,1999,
&end
#
# 0 AMB 10-2:537 133 GLU HN 3.50 (# 537:10 Single
Ambig)
&rst
ixpk= 537, nxpk= 10, iat= -1,2003, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1=1993,1994,1995,1997,1998,1999,2038,2039,2040,2042,
2043,2044,
&end
#
# 47 ILE HA 47 ILE HN 3.50 (# 538:10 Unique
2.78, 2.79 A)
&rst
ixpk= 538, nxpk= 10, iat= 625, 623, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 33 ASN HN 34 TRP HN 3.50 (# 539:10 Unique
2.03, 2.43 A)
&rst
ixpk= 539, nxpk= 10, iat= 432, 446, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 34 TRP HD1 34 TRP HN 2.80 (# 540:10 Unique
2.11, 2.98 A)
&rst
ixpk= 540, nxpk= 10, iat= 454, 446, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 33 ASN HA 34 TRP HN 3.50 (# 541:10 Unique
2.65, 3.08 A)
&rst
ixpk= 541, nxpk= 10, iat= 434, 446, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 10-2:542 34 TRP HN 2.80 (# 542:10 Single
Ambig)
&rst
ixpk= 542, nxpk= 10, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 3.66, r4=
4.16,
igr1= 448, 427, 428, 427, 428,
&end
#
# 34 TRP HB+ 34 TRP HN 3.50 (# 543:10 Unique
2.48, 3.13 A)
&rst
ixpk= 543, nxpk= 10, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 450, 451,
&end
#
# 34 TRP HB- 34 TRP HN 3.50 (# 544:10 Unique
2.48, 3.13 A)
&rst
ixpk= 544, nxpk= 10, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 450, 451,
&end
#
# 131 ALA HN 130 ASP HN 3.50 (# 545:10 Unique
2.65, 2.69 A)
&rst
ixpk= 545, nxpk= 10, iat=1977,1965, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 129 LYS HN 130 ASP HN 3.50 (# 546:10 Unique
2.73, 2.80 A)
&rst
ixpk= 546, nxpk= 10, iat=1943,1965, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 127 PRO HA 130 ASP HN 3.50 (# 547:10 Unique
3.39, 3.50 A)
&rst
ixpk= 547, nxpk= 10, iat=1920,1965, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 130 ASP HA 130 ASP HN 3.50 (# 548:10 Unique
2.79, 2.81 A)
&rst
ixpk= 548, nxpk= 10, iat=1967,1965, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 10-2:549 130 ASP HN 4.50 (# 549:10 Single
Ambig)
&rst
ixpk= 549, nxpk= 10, iat= -1,1965, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1=1895,1911,1912,
&end
#
# 0 AMB 10-2:550 130 ASP HN 3.50 (# 550:10 Single
Ambig)
&rst
ixpk= 550, nxpk= 10, iat= -1,1965, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1=1945,1911,1912,
&end
#
# 0 AMB 10-2:551 130 ASP HN 2.80 (# 551:10 Single
Ambig)
&rst
ixpk= 551, nxpk= 10, iat= -1,1965, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1=1969,1970,1969,1970,
&end
#
# 129 LYS HB+ 130 ASP HN 3.50 (# 552:10 Unique
2.36, 2.90 A)
&rst
ixpk= 552, nxpk= 10, iat= -1,1965, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1947,1948,
&end
#
# 129 LYS HB- 130 ASP HN 3.50 (# 553:10 Unique
2.36, 2.90 A)
&rst
ixpk= 553, nxpk= 10, iat= -1,1965, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1947,1948,
&end
#
# 0 AMB 10-2:554 130 ASP HN 4.50 (# 554:10 Single
Ambig)
&rst
ixpk= 554, nxpk= 10, iat= -1,1965, r1= 1.30, r2= 1.80, r3= 6.22, r4=
6.72,
igr1=1953,1954,1981,1982,1983,1934,1935,
&end
#
# 0 AMB 10-2:555 130 ASP HN 4.50 (# 555:10 Single
Ambig)
&rst
ixpk= 555, nxpk= 10, iat= -1,1965, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1950,1951,1917,1918,
&end
#
# 98 ILE HN 99 ASP HN 2.80 (# 556:10 Unique
2.66, 2.81 A)
&rst
ixpk= 556, nxpk= 10, iat=1444,1463, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 0 AMB 10-2:557 99 ASP HN 3.50 (# 557:10 Single
Ambig)
&rst
ixpk= 557, nxpk= 10, iat= -1,1463, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1475,1492,1399,1400,
&end
#
# 0 AMB 10-2:558 0 AMB 10-1:558 3.50 (# 558:10 Double
Ambig)
&rst
ixpk= 558, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1406,1249,
igr2=1463,1309,
&end
#
# 0 AMB 10-2:559 0 AMB 10-1:559 2.80 (# 559:10 Double
Ambig)
&rst
ixpk= 559, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1=1465,1297,
igr2=1463,1309,
&end
#
# 98 ILE HA 99 ASP HN 4.50 (# 560:10 Unique
3.55, 3.60 A)
&rst
ixpk= 560, nxpk= 10, iat=1446,1463, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 99 ASP HB+ 99 ASP HN 2.80 (# 561:10 Unique
2.33, 2.51 A)
&rst
ixpk= 561, nxpk= 10, iat= -1,1463, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1=1467,1468,
&end
#
# 99 ASP HB- 99 ASP HN 2.80 (# 562:10 Unique
2.33, 2.51 A)
&rst
ixpk= 562, nxpk= 10, iat= -1,1463, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1=1467,1468,
&end
#
# 0 AMB 10-2:564 99 ASP HN 2.80 (# 564:10 Single
Ambig)
&rst
ixpk= 564, nxpk= 10, iat= -1,1463, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr1=1448,1515,1516,
&end
#
# 0 AMB 10-2:565 99 ASP HN 3.50 (# 565:10 Single
Ambig)
&rst
ixpk= 565, nxpk= 10, iat= -1,1463, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1=1521,1522,1521,1522,1454,1455,1429,1430,
&end
#
# 0 AMB 10-2:566 99 ASP HN 3.50 (# 566:10 Single
Ambig)
&rst
ixpk= 566, nxpk= 10, iat= -1,1463, r1= 1.30, r2= 1.80, r3= 5.22, r4=
5.72,
igr1=1450,1451,1452,1454,1455,1501,1502,1503,1505,1506,
1507,
&end
#
# 79 ASP HN 80 ASP HN 3.50 (# 567:10 Unique
2.57, 2.63 A)
&rst
ixpk= 567, nxpk= 10, iat=1142,1154, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 81 ILE HN 80 ASP HN 2.80 (# 568:10 Unique
1.85, 1.94 A)
&rst
ixpk= 568, nxpk= 10, iat=1166,1154, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 80 ASP HA 80 ASP HN 3.50 (# 569:10 Unique
2.97, 2.99 A)
&rst
ixpk= 569, nxpk= 10, iat=1156,1154, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 79 ASP HA 80 ASP HN 3.50 (# 570:10 Unique
3.44, 3.47 A)
&rst
ixpk= 570, nxpk= 10, iat=1144,1154, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 77 ASP HB+ 80 ASP HN 3.50 (# 571:10 Unique
3.18, 4.32 A)
&rst
ixpk= 571, nxpk= 10, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1120,1121,
&end
#
# 80 ASP HB+ 80 ASP HN 2.80 (# 572:10 Unique
2.45, 2.74 A)
&rst
ixpk= 572, nxpk= 10, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1=1158,1159,
&end
#
# 0 AMB 10-2:573 80 ASP HN 3.50 (# 573:10 Single
Ambig)
&rst
ixpk= 573, nxpk= 10, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1146,1147,1120,1121,
&end
#
# 47 ILE HN 46 ASP HN 2.80 (# 574:10 Unique
2.29, 2.43 A)
&rst
ixpk= 574, nxpk= 10, iat= 623, 611, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 46 ASP HA 46 ASP HN 3.50 (# 575:10 Unique
2.94, 2.96 A)
&rst
ixpk= 575, nxpk= 10, iat= 613, 611, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 45 ASN HA 46 ASP HN 3.50 (# 576:10 Unique
3.41, 3.45 A)
&rst
ixpk= 576, nxpk= 10, iat= 599, 611, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 45 ASN HB- 46 ASP HN 4.50 (# 577:10 Unique
3.20, 4.00 A)
&rst
ixpk= 577, nxpk= 10, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 601, 602,
&end
#
# 46 ASP HB+ 46 ASP HN 3.50 (# 578:10 Unique
2.22, 2.87 A)
&rst
ixpk= 578, nxpk= 10, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 615, 616,
&end
#
# 46 ASP HB- 46 ASP HN 2.80 (# 579:10 Unique
2.22, 2.87 A)
&rst
ixpk= 579, nxpk= 10, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1= 615, 616,
&end
#
# 0 AMB 10-2:580 46 ASP HN 4.50 (# 580:10 Single
Ambig)
&rst
ixpk= 580, nxpk= 10, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 6.49, r4=
6.99,
igr1= 627, 575, 576, 575, 576, 572, 573, 572, 573,
&end
#
# 49 ALA HN 48 VAL HN 3.50 (# 581:10 Unique
2.76, 2.80 A)
&rst
ixpk= 581, nxpk= 10, iat= 658, 642, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 47 ILE HN 48 VAL HN 3.50 (# 582:10 Unique
2.83, 2.92 A)
&rst
ixpk= 582, nxpk= 10, iat= 623, 642, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 10-2:583 48 VAL HN 2.80 (# 583:10 Single
Ambig)
&rst
ixpk= 583, nxpk= 10, iat= -1, 642, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1= 644, 625,
&end
#
# 48 VAL HB 48 VAL HN 2.80 (# 584:10 Unique
2.48, 2.58 A)
&rst
ixpk= 584, nxpk= 10, iat= 646, 642, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 0 AMB 10-2:585 48 VAL HN 3.50 (# 585:10 Single
Ambig)
&rst
ixpk= 585, nxpk= 10, iat= -1, 642, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1= 627, 691, 692,
&end
#
# 48 VAL MGY 48 VAL HN 2.80 (# 586:10 Unique
1.94, 3.68 A)
&rst
ixpk= 586, nxpk= 10, iat= -1, 642, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1= 648, 649, 650, 652, 653, 654,
&end
#
# 0 AMB 10-2:587 0 AMB 10-1:587 3.50 (# 587:10 Double
Ambig)
&rst
ixpk= 587, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4=
6.44,
igr1= 272, 273, 274, 276, 277, 278,2038,2039,2040,2042,
2043,2044,
igr2= 263,2086,
&end
#
# 137 GLN HN 138 ARG HN 3.50 (# 588:10 Unique
2.68, 2.74 A)
&rst
ixpk= 588, nxpk= 10, iat=2069,2086, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 10-2:589 138 ARG HN 4.50 (# 589:10 Single
Ambig)
&rst
ixpk= 589, nxpk= 10, iat= -1,2086, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=2129,2032,
&end
#
# 139 LEU HN 138 ARG HN 2.80 (# 590:10 Unique
2.36, 2.63 A)
&rst
ixpk= 590, nxpk= 10, iat=2110,2086, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 138 ARG HA 138 ARG HN 3.50 (# 591:10 Unique
2.87, 2.91 A)
&rst
ixpk= 591, nxpk= 10, iat=2088,2086, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 10-2:592 0 AMB 10-1:592 3.50 (# 592:10 Double
Ambig)
&rst
ixpk= 592, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1= 259,2020, 130, 131,
igr2= 263,2086,
&end
#
# 137 GLN HA 138 ARG HN 3.50 (# 593:10 Unique
3.37, 3.44 A)
&rst
ixpk= 593, nxpk= 10, iat=2071,2086, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 10-2:594 138 ARG HN 4.50 (# 594:10 Single
Ambig)
&rst
ixpk= 594, nxpk= 10, iat= -1,2086, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=2073,2074,2136,2137,
&end
#
# 0 AMB 10-2:595 138 ARG HN 2.80 (# 595:10 Single
Ambig)
&rst
ixpk= 595, nxpk= 10, iat= -1,2086, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1=2090,2091,2090,2091,
&end
#
# 138 ARG HG- 138 ARG HN 4.50 (# 596:10 Unique
4.42, 4.66 A)
&rst
ixpk= 596, nxpk= 10, iat= -1,2086, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=2093,2094,
&end
#
# 138 ARG HG+ 138 ARG HN 4.50 (# 597:10 Unique
4.42, 4.66 A)
&rst
ixpk= 597, nxpk= 10, iat= -1,2086, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=2093,2094,
&end
#
# 96 TYR HD 96 TYR HN 4.50 (# 598:10 Unique
2.61, 3.93 A)
&rst
ixpk= 598, nxpk= 10, iat= -1,1404, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1412,1421,
&end
#
# 0 AMB 10-2:599 96 TYR HN 2.80 (# 599:10 Single
Ambig)
&rst
ixpk= 599, nxpk= 10, iat= -1,1404, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1=1408,1409,1408,1409,
&end
#
# 46 ASP HN 47 ILE HN 2.80 (# 600:10 Unique
2.29, 2.43 A)
&rst
ixpk= 600, nxpk= 10, iat= 611, 623, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 0 AMB 10-2:601 0 AMB 10-1:601 3.50 (# 601:10 Double
Ambig)
&rst
ixpk= 601, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 642,1195,
igr2= 623,1166,
&end
#
# 46 ASP HA 47 ILE HN 4.50 (# 602:10 Unique
3.32, 3.35 A)
&rst
ixpk= 602, nxpk= 10, iat= 613, 623, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 10-2:603 0 AMB 10-1:603 2.80 (# 603:10 Double
Ambig)
&rst
ixpk= 603, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1= 627,1214,1215,
igr2= 623,1166,
&end
#
# 0 AMB 10-2:604 0 AMB 10-1:604 2.80 (# 604:10 Double
Ambig)
&rst
ixpk= 604, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4=
4.61,
igr1=1176,1177, 636, 637, 638,
igr2=1166, 623,
&end
#
# 34 TRP HN 33 ASN HN 3.50 (# 605:10 Unique
2.03, 2.43 A)
&rst
ixpk= 605, nxpk= 10, iat= 446, 432, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 33 ASN HA 33 ASN HN 3.50 (# 606:10 Unique
2.17, 2.62 A)
&rst
ixpk= 606, nxpk= 10, iat= 434, 432, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 10-2:607 33 ASN HN 2.80 (# 607:10 Single
Ambig)
&rst
ixpk= 607, nxpk= 10, iat= -1, 432, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1= 427, 428, 427, 428,
&end
#
# 33 ASN HB+ 33 ASN HN 3.50 (# 608:10 Unique
2.86, 3.33 A)
&rst
ixpk= 608, nxpk= 10, iat= -1, 432, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 436, 437,
&end
#
# 0 AMB 10-2:609 12 MET HN 3.50 (# 609:10 Single
Ambig)
&rst
ixpk= 609, nxpk= 10, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1= 153, 154, 151,
&end
#
# 12 MET HB- 12 MET HN 3.50 (# 610:10 Unique
2.97, 3.35 A)
&rst
ixpk= 610, nxpk= 10, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 164, 165,
&end
#
# 0 AMB 10-2:611 12 MET HN 3.50 (# 611:10 Single
Ambig)
&rst
ixpk= 611, nxpk= 10, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 149, 171, 172, 173,
&end
#
# 13 MET HN 12 MET HN 2.80 (# 612:10 Unique
2.11, 2.24 A)
&rst
ixpk= 612, nxpk= 10, iat= 177, 160, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 12 MET HA 12 MET HN 3.50 (# 613:10 Unique
2.97, 2.98 A)
&rst
ixpk= 613, nxpk= 10, iat= 162, 160, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 12 MET HG+ 12 MET HN 3.50 (# 614:10 Unique
1.94, 2.33 A)
&rst
ixpk= 614, nxpk= 10, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 167, 168,
&end
#
# 12 MET HG- 12 MET HN 3.50 (# 615:10 Unique
1.94, 2.33 A)
&rst
ixpk= 615, nxpk= 10, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 167, 168,
&end
#
# 12 MET HB+ 12 MET HN 3.50 (# 616:10 Unique
2.97, 3.35 A)
&rst
ixpk= 616, nxpk= 10, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 164, 165,
&end
#
# 0 AMB 10-2:617 0 AMB 10-1:617 3.50 (# 617:10 Double
Ambig)
&rst
ixpk= 617, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1= 413, 414,1176,1177,
igr2=2129,1154,
&end
#
# 87 MET HN 86 MET HN 3.50 (# 618:10 Unique
1.96, 2.50 A)
&rst
ixpk= 618, nxpk= 10, iat=1264,1247, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 10-2:619 86 MET HN 3.50 (# 619:10 Single
Ambig)
&rst
ixpk= 619, nxpk= 10, iat= -1,1247, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1229,1266,
&end
#
# 86 MET HA 86 MET HN 3.50 (# 620:10 Unique
2.91, 2.96 A)
&rst
ixpk= 620, nxpk= 10, iat=1249,1247, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 10-2:621 86 MET HN 3.50 (# 621:10 Single
Ambig)
&rst
ixpk= 621, nxpk= 10, iat= -1,1247, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1251,1252,1271,1272,
&end
#
# 21 LEU HA 21 LEU HN 3.50 (# 623:10 Unique
2.83, 2.85 A)
&rst
ixpk= 623, nxpk= 10, iat= 265, 263, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 10-2:624 21 LEU HN 3.50 (# 624:10 Single
Ambig)
&rst
ixpk= 624, nxpk= 10, iat= -1, 263, r1= 1.30, r2= 1.80, r3= 4.58, r4=
5.08,
igr1= 234, 227, 228, 227, 228,
&end
#
# 20 PRO HB+ 21 LEU HN 3.50 (# 625:10 Unique
2.59, 3.33 A)
&rst
ixpk= 625, nxpk= 10, iat= -1, 263, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 256, 257,
&end
#
# 21 LEU HB+ 21 LEU HN 2.80 (# 626:10 Unique
2.32, 2.49 A)
&rst
ixpk= 626, nxpk= 10, iat= -1, 263, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1= 267, 268,
&end
#
# 21 LEU HB- 21 LEU HN 2.80 (# 627:10 Unique
2.32, 2.49 A)
&rst
ixpk= 627, nxpk= 10, iat= -1, 263, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1= 267, 268,
&end
#
# 0 AMB 10-2:628 21 LEU HN 4.50 (# 628:10 Single
Ambig)
&rst
ixpk= 628, nxpk= 10, iat= -1, 263, r1= 1.30, r2= 1.80, r3= 5.88, r4=
6.38,
igr1= 286, 287, 236, 237, 238,
&end
#
# 48 VAL MGX 48 VAL HN 3.50 (# 629:10 Unique
1.94, 3.68 A)
&rst
ixpk= 629, nxpk= 10, iat= -1, 642, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 648, 649, 650, 652, 653, 654,
&end
#
# 0 AMB 10-2:630 138 ARG HN 4.50 (# 630:10 Single
Ambig)
&rst
ixpk= 630, nxpk= 10, iat= -1,2086, r1= 1.30, r2= 1.80, r3= 6.99, r4=
7.49,
igr1= 410, 411,2038,2039,2040,2042,2043,2044, 291, 292,
293, 295, 296, 297,
&end
#
# 96 TYR HA 96 TYR HN 3.50 (# 631:10 Unique
2.78, 2.83 A)
&rst
ixpk= 631, nxpk= 10, iat=1406,1404, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 95 ASN HN 96 TYR HN 3.50 (# 632:10 Unique
2.69, 2.77 A)
&rst
ixpk= 632, nxpk= 10, iat=1390,1404, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 97 LEU HN 96 TYR HN 2.80 (# 633:10 Unique
2.62, 2.72 A)
&rst
ixpk= 633, nxpk= 10, iat=1425,1404, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 80 ASP HN 81 ILE HN 2.80 (# 634:10 Unique
1.85, 1.94 A)
&rst
ixpk= 634, nxpk= 10, iat=1154,1166, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 80 ASP HA 81 ILE HN 3.50 (# 635:10 Unique
3.43, 3.50 A)
&rst
ixpk= 635, nxpk= 10, iat=1156,1166, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 81 ILE HA 81 ILE HN 3.50 (# 636:10 Unique
2.77, 2.84 A)
&rst
ixpk= 636, nxpk= 10, iat=1168,1166, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 80 ASP HB+ 81 ILE HN 3.50 (# 637:10 Unique
2.59, 3.52 A)
&rst
ixpk= 637, nxpk= 10, iat= -1,1166, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1158,1159,
&end
#
# 13 MET HB- 13 MET HN 2.80 (# 638:10 Unique
2.27, 2.73 A)
&rst
ixpk= 638, nxpk= 10, iat= -1, 177, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1= 181, 182,
&end
#
# 81 ILE HG1- 81 ILE HN 3.50 (# 639:10 Unique
2.05, 2.88 A)
&rst
ixpk= 639, nxpk= 10, iat= -1,1166, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1176,1177,
&end
#
# 81 ILE QD1 81 ILE HN 4.50 (# 640:10 Unique
3.86, 4.43 A)
&rst
ixpk= 640, nxpk= 10, iat= -1,1166, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1=1179,1180,1181,
&end
#
# 139 LEU HN 140 GLU HN 3.50 (# 641:10 Unique
2.82, 3.01 A)
&rst
ixpk= 641, nxpk= 10, iat=2110,2129, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 139 LEU HA 140 GLU HN 3.50 (# 642:10 Unique
3.46, 3.54 A)
&rst
ixpk= 642, nxpk= 10, iat=2112,2129, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 10-2:643 140 GLU HN 2.80 (# 643:10 Single
Ambig)
&rst
ixpk= 643, nxpk= 10, iat= -1,2129, r1= 1.30, r2= 1.80, r3= 3.66, r4=
4.16,
igr1=2131, 427, 428, 427, 428,
&end
#
# 140 GLU HG- 140 GLU HN 4.50 (# 644:10 Unique
1.79, 2.85 A)
&rst
ixpk= 644, nxpk= 10, iat= -1,2129, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=2136,2137,
&end
#
# 140 GLU HB+ 140 GLU HN 2.80 (# 645:10 Unique
1.95, 2.97 A)
&rst
ixpk= 645, nxpk= 10, iat= -1,2129, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1=2133,2134,
&end
#
# 140 GLU HB- 140 GLU HN 2.80 (# 646:10 Unique
1.95, 2.97 A)
&rst
ixpk= 646, nxpk= 10, iat= -1,2129, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1=2133,2134,
&end
#
# 139 LEU HB+ 140 GLU HN 3.50 (# 647:10 Unique
2.40, 3.02 A)
&rst
ixpk= 647, nxpk= 10, iat= -1,2129, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=2114,2115,
&end
#
# 0 AMB 10-2:648 140 GLU HN 3.50 (# 648:10 Single
Ambig)
&rst
ixpk= 648, nxpk= 10, iat= -1,2129, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 407, 408, 413, 414,
&end
#
# 31 LYS HB- 140 GLU HN 3.50 (# 649:10 Unique
2.28, 3.48 A)
&rst
ixpk= 649, nxpk= 10, iat= -1,2129, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 407, 408,
&end
#
# 139 LEU HB- 140 GLU HN 3.50 (# 650:10 Unique
2.40, 3.02 A)
&rst
ixpk= 650, nxpk= 10, iat= -1,2129, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=2114,2115,
&end
#
# 0 AMB 10-2:651 28 ALA HN 2.80 (# 651:10 Single
Ambig)
&rst
ixpk= 651, nxpk= 10, iat= -1, 369, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1= 359, 348,
&end
#
# 29 ALA HN 28 ALA HN 2.80 (# 652:10 Unique
2.43, 2.56 A)
&rst
ixpk= 652, nxpk= 10, iat= 379, 369, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 28 ALA HA 28 ALA HN 2.80 (# 653:10 Unique
2.84, 2.86 A)
&rst
ixpk= 653, nxpk= 10, iat= 371, 369, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 0 AMB 10-2:654 28 ALA HN 3.50 (# 654:10 Single
Ambig)
&rst
ixpk= 654, nxpk= 10, iat= -1, 369, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1= 328, 390, 391,
&end
#
# 0 AMB 10-2:655 28 ALA HN 2.80 (# 655:10 Single
Ambig)
&rst
ixpk= 655, nxpk= 10, iat= -1, 369, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1= 373, 374, 375, 363, 364, 365,
&end
#
# 106 GLY HN 105 ILE HN 4.50 (# 656:10 Unique
4.49, 4.57 A)
&rst
ixpk= 656, nxpk= 10, iat=1579,1560, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 104 ASP HN 105 ILE HN 2.80 (# 657:10 Unique
1.91, 2.12 A)
&rst
ixpk= 657, nxpk= 10, iat=1548,1560, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 105 ILE HA 105 ILE HN 3.50 (# 658:10 Unique
2.86, 2.92 A)
&rst
ixpk= 658, nxpk= 10, iat=1562,1560, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 10-2:659 0 AMB 10-1:659 3.50 (# 659:10 Double
Ambig)
&rst
ixpk= 659, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1138,1535,
igr2=1166,1560,
&end
#
# 0 AMB 10-2:660 105 ILE HN 3.50 (# 660:10 Single
Ambig)
&rst
ixpk= 660, nxpk= 10, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1=1513, 770, 771,
&end
#
# 104 ASP HB- 105 ILE HN 3.50 (# 661:10 Unique
2.62, 3.52 A)
&rst
ixpk= 661, nxpk= 10, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1552,1553,
&end
#
# 104 ASP HB+ 105 ILE HN 3.50 (# 662:10 Unique
2.62, 3.52 A)
&rst
ixpk= 662, nxpk= 10, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1552,1553,
&end
#
# 105 ILE HB 105 ILE HN 2.80 (# 663:10 Unique
2.27, 2.36 A)
&rst
ixpk= 663, nxpk= 10, iat=1564,1560, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 47 ILE HG1+ 47 ILE HN 3.50 (# 664:10 Unique
2.23, 3.00 A)
&rst
ixpk= 664, nxpk= 10, iat= -1, 623, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 633, 634,
&end
#
# 0 AMB 10-2:665 0 AMB 10-1:665 3.50 (# 665:10 Double
Ambig)
&rst
ixpk= 665, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1566,1567,1568,1172,1173,1174,1501,1502,1503,1505,
1506,1507,1457,1458,1459,
igr2=1560,1166,
&end
#
# 0 AMB 10-2:666 136 TYR HN 3.50 (# 666:10 Single
Ambig)
&rst
ixpk= 666, nxpk= 10, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=2069,2018,
&end
#
# 135 VAL HN 136 TYR HN 3.50 (# 667:10 Unique
2.41, 2.62 A)
&rst
ixpk= 667, nxpk= 10, iat=2032,2048, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 136 TYR HD 136 TYR HN 4.50 (# 668:10 Unique
3.23, 4.60 A)
&rst
ixpk= 668, nxpk= 10, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=2056,2065,
&end
#
# 133 GLU HA 136 TYR HN 3.50 (# 669:10 Unique
3.37, 3.50 A)
&rst
ixpk= 669, nxpk= 10, iat=2005,2048, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 10-2:670 136 TYR HN 3.50 (# 670:10 Single
Ambig)
&rst
ixpk= 670, nxpk= 10, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=2050,2020,
&end
#
# 136 TYR HB+ 136 TYR HN 2.80 (# 671:10 Unique
2.07, 2.47 A)
&rst
ixpk= 671, nxpk= 10, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1=2052,2053,
&end
#
# 136 TYR HB- 136 TYR HN 2.80 (# 672:10 Unique
2.07, 2.47 A)
&rst
ixpk= 672, nxpk= 10, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1=2052,2053,
&end
#
# 135 VAL HB 136 TYR HN 4.50 (# 673:10 Unique
2.51, 3.22 A)
&rst
ixpk= 673, nxpk= 10, iat=2036,2048, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 10-2:674 136 TYR HN 3.50 (# 674:10 Single
Ambig)
&rst
ixpk= 674, nxpk= 10, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1= 291, 292, 293, 295, 296, 297,1993,1994,1995,1997,
1998,1999,
&end
#
# 135 VAL MGY 136 TYR HN 3.50 (# 675:10 Unique
2.38, 4.23 A)
&rst
ixpk= 675, nxpk= 10, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1=2038,2039,2040,2042,2043,2044,
&end
#
# 0 AMB 10-2:676 136 TYR HN 3.50 (# 676:10 Single
Ambig)
&rst
ixpk= 676, nxpk= 10, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1=2038,2039,2040,2042,2043,2044, 291, 292, 293, 295,
296, 297,
&end
#
# 52 GLU HN 51 ARG HN 3.50 (# 677:10 Unique
2.74, 2.78 A)
&rst
ixpk= 677, nxpk= 10, iat= 711, 687, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 50 ILE HN 51 ARG HN 3.50 (# 678:10 Unique
2.58, 2.67 A)
&rst
ixpk= 678, nxpk= 10, iat= 668, 687, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 51 ARG HA 51 ARG HN 3.50 (# 679:10 Unique
2.83, 2.85 A)
&rst
ixpk= 679, nxpk= 10, iat= 689, 687, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 10-2:680 51 ARG HN 3.50 (# 680:10 Single
Ambig)
&rst
ixpk= 680, nxpk= 10, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1= 644, 670, 625,
&end
#
# 0 AMB 10-2:681 51 ARG HN 2.80 (# 681:10 Single
Ambig)
&rst
ixpk= 681, nxpk= 10, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1= 691, 692, 691, 692,
&end
#
# 51 ARG HG- 51 ARG HN 2.80 (# 682:10 Unique
2.64, 3.29 A)
&rst
ixpk= 682, nxpk= 10, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1= 694, 695,
&end
#
# 51 ARG HG+ 51 ARG HN 3.50 (# 683:10 Unique
2.64, 3.29 A)
&rst
ixpk= 683, nxpk= 10, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 694, 695,
&end
#
# 0 AMB 10-2:684 51 ARG HN 3.50 (# 684:10 Single
Ambig)
&rst
ixpk= 684, nxpk= 10, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1501,1502,1503,1505,1506,1507, 674, 675, 676,
&end
#
# 0 AMB 10-2:685 51 ARG HN 4.50 (# 685:10 Single
Ambig)
&rst
ixpk= 685, nxpk= 10, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 5.88, r4=
6.38,
igr1= 678, 679, 681, 682, 683,
&end
#
# 0 AMB 10-2:686 87 MET HN 2.80 (# 686:10 Single
Ambig)
&rst
ixpk= 686, nxpk= 10, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1=1247,1281,
&end
#
# 86 MET HA 87 MET HN 3.50 (# 687:10 Unique
2.94, 3.19 A)
&rst
ixpk= 687, nxpk= 10, iat=1249,1264, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 85 PHE HA 85 PHE HN 3.50 (# 688:10 Unique
2.84, 2.87 A)
&rst
ixpk= 688, nxpk= 10, iat=1229,1227, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 71 GLY HN 72 GLU HN 3.50 (# 689:10 Unique
2.54, 2.61 A)
&rst
ixpk= 689, nxpk= 10, iat=1013,1020, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 114 GLN HN 72 GLU HN 4.50 (# 690:10 Unique
2.89, 2.97 A)
&rst
ixpk= 690, nxpk= 10, iat=1701,1020, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 72 GLU HA 72 GLU HN 3.50 (# 691:10 Unique
2.92, 2.94 A)
&rst
ixpk= 691, nxpk= 10, iat=1022,1020, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 71 GLY HA+ 72 GLU HN 3.50 (# 692:10 Unique
3.15, 3.33 A)
&rst
ixpk= 692, nxpk= 10, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1015,1016,
&end
#
# 70 PRO HA 72 GLU HN 4.50 (# 693:10 Unique
3.28, 3.40 A)
&rst
ixpk= 693, nxpk= 10, iat=1009,1020, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 95 ASN HB- 96 TYR HN 4.50 (# 694:10 Unique
3.01, 4.17 A)
&rst
ixpk= 694, nxpk= 10, iat= -1,1404, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1394,1395,
&end
#
# 72 GLU HG+ 72 GLU HN 3.50 (# 695:10 Unique
2.75, 3.34 A)
&rst
ixpk= 695, nxpk= 10, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1027,1028,
&end
#
# 72 GLU HG- 72 GLU HN 2.80 (# 696:10 Unique
2.75, 3.34 A)
&rst
ixpk= 696, nxpk= 10, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1=1027,1028,
&end
#
# 0 AMB 10-2:697 72 GLU HN 2.80 (# 697:10 Single
Ambig)
&rst
ixpk= 697, nxpk= 10, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1=1705,1706,1705,1706,
&end
#
# 72 GLU HB+ 72 GLU HN 2.80 (# 698:10 Unique
2.24, 2.92 A)
&rst
ixpk= 698, nxpk= 10, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1=1024,1025,
&end
#
# 0 AMB 10-2:699 72 GLU HN 4.50 (# 699:10 Single
Ambig)
&rst
ixpk= 699, nxpk= 10, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1= 975, 976, 977, 979, 980, 981, 975, 976, 977, 979,
980, 981,
&end
#
# 52 GLU HN 53 LEU HN 3.50 (# 700:10 Unique
2.36, 2.40 A)
&rst
ixpk= 700, nxpk= 10, iat= 711, 726, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 54 ARG HN 53 LEU HN 2.80 (# 701:10 Unique
2.19, 2.28 A)
&rst
ixpk= 701, nxpk= 10, iat= 745, 726, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 0 AMB 10-2:702 53 LEU HN 3.50 (# 702:10 Single
Ambig)
&rst
ixpk= 702, nxpk= 10, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1= 770, 771, 713,
&end
#
# 0 AMB 10-2:703 53 LEU HN 3.50 (# 703:10 Single
Ambig)
&rst
ixpk= 703, nxpk= 10, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1= 770, 771, 670,
&end
#
# 53 LEU HB+ 53 LEU HN 2.80 (# 704:10 Unique
2.17, 2.98 A)
&rst
ixpk= 704, nxpk= 10, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1= 730, 731,
&end
#
# 0 AMB 10-2:705 53 LEU HN 2.80 (# 705:10 Single
Ambig)
&rst
ixpk= 705, nxpk= 10, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 3.66, r4=
4.16,
igr1= 733, 773, 774, 691, 692,
&end
#
# 53 LEU HB- 53 LEU HN 3.50 (# 706:10 Unique
2.17, 2.98 A)
&rst
ixpk= 706, nxpk= 10, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 730, 731,
&end
#
# 0 AMB 10-2:707 53 LEU HN 2.80 (# 707:10 Single
Ambig)
&rst
ixpk= 707, nxpk= 10, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 4.24, r4=
4.74,
igr1= 735, 736, 737, 739, 740, 741, 735, 736, 737, 739,
740, 741,
&end
#
# 14 GLY HN 13 MET HN 3.50 (# 708:10 Unique
3.07, 3.28 A)
&rst
ixpk= 708, nxpk= 10, iat= 194, 177, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 12 MET HN 13 MET HN 2.80 (# 709:10 Unique
2.11, 2.24 A)
&rst
ixpk= 709, nxpk= 10, iat= 160, 177, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 13 MET HA 13 MET HN 3.50 (# 710:10 Unique
2.91, 2.94 A)
&rst
ixpk= 710, nxpk= 10, iat= 179, 177, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 12 MET HA 13 MET HN 3.50 (# 711:10 Unique
3.26, 3.33 A)
&rst
ixpk= 711, nxpk= 10, iat= 162, 177, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 13 MET HB+ 13 MET HN 3.50 (# 712:10 Unique
2.27, 2.73 A)
&rst
ixpk= 712, nxpk= 10, iat= -1, 177, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 181, 182,
&end
#
# 0 AMB 10-2:713 13 MET HN 4.50 (# 713:10 Single
Ambig)
&rst
ixpk= 713, nxpk= 10, iat= -1, 177, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 164, 165, 253, 254,
&end
#
# 66 MET HN 68 LEU HN 3.50 (# 714:10 Unique
3.24, 3.29 A)
&rst
ixpk= 714, nxpk= 10, iat= 942, 966, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 67 GLY HN 68 LEU HN 3.50 (# 715:10 Unique
2.87, 2.91 A)
&rst
ixpk= 715, nxpk= 10, iat= 959, 966, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 68 LEU HA 68 LEU HN 3.50 (# 716:10 Unique
2.93, 2.95 A)
&rst
ixpk= 716, nxpk= 10, iat= 968, 966, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 67 GLY HA+ 68 LEU HN 3.50 (# 717:10 Unique
3.11, 3.36 A)
&rst
ixpk= 717, nxpk= 10, iat= -1, 966, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 961, 962,
&end
#
# 0 AMB 10-2:718 68 LEU HN 3.50 (# 718:10 Single
Ambig)
&rst
ixpk= 718, nxpk= 10, iat= -1, 966, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1=1708,1709,1705,1706,1705,1706,
&end
#
# 68 LEU HB+ 68 LEU HN 3.50 (# 719:10 Unique
2.37, 3.04 A)
&rst
ixpk= 719, nxpk= 10, iat= -1, 966, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 970, 971,
&end
#
# 0 AMB 10-2:720 68 LEU HN 3.50 (# 720:10 Single
Ambig)
&rst
ixpk= 720, nxpk= 10, iat= -1, 966, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1= 975, 976, 977, 979, 980, 981, 975, 976, 977, 979,
980, 981,
&end
#
# 0 AMB 10-2:723 69 ASN HN 3.50 (# 723:10 Single
Ambig)
&rst
ixpk= 723, nxpk= 10, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 968,1703,
&end
#
# 0 AMB 10-2:724 69 ASN HN 2.80 (# 724:10 Single
Ambig)
&rst
ixpk= 724, nxpk= 10, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1= 989, 990, 989, 990,
&end
#
# 72 GLU HG+ 69 ASN HN 3.50 (# 725:10 Unique
2.11, 2.84 A)
&rst
ixpk= 725, nxpk= 10, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1027,1028,
&end
#
# 72 GLU HG- 69 ASN HN 3.50 (# 726:10 Unique
2.11, 2.84 A)
&rst
ixpk= 726, nxpk= 10, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1027,1028,
&end
#
# 0 AMB 10-2:727 69 ASN HN 3.50 (# 727:10 Single
Ambig)
&rst
ixpk= 727, nxpk= 10, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1=1708,1709,1705,1706,1705,1706,
&end
#
# 0 AMB 10-2:728 69 ASN HN 3.50 (# 728:10 Single
Ambig)
&rst
ixpk= 728, nxpk= 10, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1708,1709,1024,1025,
&end
#
# 68 LEU HB+ 69 ASN HN 2.80 (# 729:10 Unique
1.83, 2.19 A)
&rst
ixpk= 729, nxpk= 10, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1= 970, 971,
&end
#
# 68 LEU HB- 69 ASN HN 3.50 (# 730:10 Unique
1.83, 2.19 A)
&rst
ixpk= 730, nxpk= 10, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 970, 971,
&end
#
# 0 AMB 10-2:731 69 ASN HN 4.50 (# 731:10 Single
Ambig)
&rst
ixpk= 731, nxpk= 10, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1= 973,1061,1062,
&end
#
# 68 LEU MDX 69 ASN HN 3.50 (# 732:10 Unique
4.05, 4.98 A)
&rst
ixpk= 732, nxpk= 10, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 975, 976, 977, 979, 980, 981,
&end
#
# 0 AMB 10-2:733 87 MET HN 3.50 (# 733:10 Single
Ambig)
&rst
ixpk= 733, nxpk= 10, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1266,1229,
&end
#
# 84 MET HN 85 PHE HN 2.80 (# 734:10 Unique
2.58, 2.71 A)
&rst
ixpk= 734, nxpk= 10, iat=1210,1227, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 85 PHE HD 85 PHE HN 3.50 (# 735:10 Unique
2.77, 4.12 A)
&rst
ixpk= 735, nxpk= 10, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1235,1243,
&end
#
# 84 MET HA 85 PHE HN 3.50 (# 736:10 Unique
3.53, 3.55 A)
&rst
ixpk= 736, nxpk= 10, iat=1212,1227, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 85 PHE HB+ 85 PHE HN 3.50 (# 737:10 Unique
2.09, 2.74 A)
&rst
ixpk= 737, nxpk= 10, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1231,1232,
&end
#
# 85 PHE HB- 85 PHE HN 2.80 (# 738:10 Unique
2.09, 2.74 A)
&rst
ixpk= 738, nxpk= 10, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1=1231,1232,
&end
#
# 0 AMB 10-2:739 85 PHE HN 3.50 (# 739:10 Single
Ambig)
&rst
ixpk= 739, nxpk= 10, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1214,1215,1214,1215,
&end
#
# 84 MET HB- 85 PHE HN 4.50 (# 740:10 Unique
2.78, 3.37 A)
&rst
ixpk= 740, nxpk= 10, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1214,1215,
&end
#
# 0 AMB 10-2:741 29 ALA HN 4.50 (# 741:10 Single
Ambig)
&rst
ixpk= 741, nxpk= 10, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 359, 348,
&end
#
# 28 ALA HN 29 ALA HN 2.80 (# 742:10 Unique
2.43, 2.56 A)
&rst
ixpk= 742, nxpk= 10, iat= 369, 379, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 26 CYS HA 29 ALA HN 3.50 (# 743:10 Unique
2.99, 3.17 A)
&rst
ixpk= 743, nxpk= 10, iat= 350, 379, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 28 ALA HA 29 ALA HN 3.50 (# 744:10 Unique
3.53, 3.55 A)
&rst
ixpk= 744, nxpk= 10, iat= 371, 379, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 10-2:745 29 ALA HN 3.50 (# 745:10 Single
Ambig)
&rst
ixpk= 745, nxpk= 10, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1= 390, 391, 328,
&end
#
# 30 PRO HD- 29 ALA HN 3.50 (# 746:10 Unique
3.30, 4.02 A)
&rst
ixpk= 746, nxpk= 10, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 390, 391,
&end
#
# 28 ALA MB 29 ALA HN 2.80 (# 747:10 Unique
2.69, 3.57 A)
&rst
ixpk= 747, nxpk= 10, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr1= 373, 374, 375,
&end
#
# 29 ALA MB 29 ALA HN 2.80 (# 748:10 Unique
2.75, 3.40 A)
&rst
ixpk= 748, nxpk= 10, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr1= 383, 384, 385,
&end
#
# 0 AMB 10-2:750 74 ARG HN 5.50 (# 750:10 Single
Ambig)
&rst
ixpk= 750, nxpk= 10, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 7.93, r4=
8.43,
igr1=1048,1049,1050,2038,2039,2040,2042,2043,2044,
&end
#
# 0 AMB 10-2:751 41 SER HN 2.80 (# 751:10 Single
Ambig)
&rst
ixpk= 751, nxpk= 10, iat= -1, 547, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1= 558, 128,
&end
#
# 41 SER HA 41 SER HN 3.50 (# 752:10 Unique
2.20, 2.87 A)
&rst
ixpk= 752, nxpk= 10, iat= 549, 547, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 40 GLY HA+ 41 SER HN 2.80 (# 753:10 Unique
2.19, 2.71 A)
&rst
ixpk= 753, nxpk= 10, iat= -1, 547, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1= 542, 543,
&end
#
# 40 GLY HA- 41 SER HN 2.80 (# 754:10 Unique
2.19, 2.71 A)
&rst
ixpk= 754, nxpk= 10, iat= -1, 547, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1= 542, 543,
&end
#
# 0 AMB 10-2:755 41 SER HN 3.50 (# 755:10 Single
Ambig)
&rst
ixpk= 755, nxpk= 10, iat= -1, 547, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 551, 552, 569, 570,
&end
#
# 9 GLY HA+ 10 ASN HN 3.50 (# 756:10 Unique
2.24, 2.58 A)
&rst
ixpk= 756, nxpk= 10, iat= -1, 135, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 130, 131,
&end
#
# 9 GLY HA- 10 ASN HN 2.80 (# 757:10 Unique
2.24, 2.58 A)
&rst
ixpk= 757, nxpk= 10, iat= -1, 135, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1= 130, 131,
&end
#
# 10 ASN HB+ 10 ASN HN 3.50 (# 758:10 Unique
2.55, 2.83 A)
&rst
ixpk= 758, nxpk= 10, iat= -1, 135, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 139, 140,
&end
#
# 10 ASN HB- 10 ASN HN 3.50 (# 759:10 Unique
2.55, 2.83 A)
&rst
ixpk= 759, nxpk= 10, iat= -1, 135, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 139, 140,
&end
#
# 102 LYS HN 101 LEU HN 2.80 (# 760:10 Unique
1.88, 2.00 A)
&rst
ixpk= 760, nxpk= 10, iat=1511,1492, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 101 LEU HA 101 LEU HN 3.50 (# 761:10 Unique
2.95, 2.98 A)
&rst
ixpk= 761, nxpk= 10, iat=1494,1492, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 100 GLN HA 101 LEU HN 3.50 (# 762:10 Unique
3.17, 3.37 A)
&rst
ixpk= 762, nxpk= 10, iat=1477,1492, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 98 ILE HA 101 LEU HN 4.50 (# 763:10 Unique
3.18, 3.48 A)
&rst
ixpk= 763, nxpk= 10, iat=1446,1492, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 10-2:764 101 LEU HN 3.50 (# 764:10 Single
Ambig)
&rst
ixpk= 764, nxpk= 10, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1=1482,1483,1479,1480,1479,1480,1515,1516,
&end
#
# 0 AMB 10-2:765 101 LEU HN 4.50 (# 765:10 Single
Ambig)
&rst
ixpk= 765, nxpk= 10, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1=1515,1516,1448,
&end
#
# 0 AMB 10-2:766 101 LEU HN 2.80 (# 766:10 Single
Ambig)
&rst
ixpk= 766, nxpk= 10, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr1=1496,1497,1499,
&end
#
# 101 LEU HB+ 101 LEU HN 3.50 (# 767:10 Unique
1.99, 3.01 A)
&rst
ixpk= 767, nxpk= 10, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1496,1497,
&end
#
# 0 AMB 10-2:768 101 LEU HN 3.50 (# 768:10 Single
Ambig)
&rst
ixpk= 768, nxpk= 10, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1501,1502,1503,1505,1506,1507,1450,1451,1452, 629,
630, 631,1607,1608,1609,1611,1612,1613,
&end
#
# 101 LEU MDX 101 LEU HN 4.50 (# 769:10 Unique
2.45, 4.45 A)
&rst
ixpk= 769, nxpk= 10, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1501,1502,1503,1505,1506,1507,
&end
#
# 51 ARG HN 52 GLU HN 3.50 (# 770:10 Unique
2.74, 2.78 A)
&rst
ixpk= 770, nxpk= 10, iat= 687, 711, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 53 LEU HN 52 GLU HN 3.50 (# 771:10 Unique
2.36, 2.40 A)
&rst
ixpk= 771, nxpk= 10, iat= 726, 711, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 51 ARG HA 52 GLU HN 4.50 (# 772:10 Unique
3.45, 3.50 A)
&rst
ixpk= 772, nxpk= 10, iat= 689, 711, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 52 GLU HG- 52 GLU HN 3.50 (# 773:10 Unique
2.75, 3.39 A)
&rst
ixpk= 773, nxpk= 10, iat= -1, 711, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 718, 719,
&end
#
# 52 GLU HG+ 52 GLU HN 3.50 (# 774:10 Unique
2.75, 3.39 A)
&rst
ixpk= 774, nxpk= 10, iat= -1, 711, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 718, 719,
&end
#
# 0 AMB 10-2:775 52 GLU HN 2.80 (# 775:10 Single
Ambig)
&rst
ixpk= 775, nxpk= 10, iat= -1, 711, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1= 715, 716, 715, 716,
&end
#
# 0 AMB 10-2:777 91 ASN HN 3.50 (# 777:10 Single
Ambig)
&rst
ixpk= 777, nxpk= 10, iat= -1,1326, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1311,1328,
&end
#
# 0 AMB 10-2:778 0 AMB 10-1:778 2.80 (# 778:10 Double
Ambig)
&rst
ixpk= 778, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1=1513, 713,
igr2=1511, 711,
&end
#
# 0 AMB 10-2:779 52 GLU HN 3.50 (# 779:10 Single
Ambig)
&rst
ixpk= 779, nxpk= 10, iat= -1, 711, r1= 1.30, r2= 1.80, r3= 4.58, r4=
5.08,
igr1= 691, 692, 691, 692, 733,
&end
#
# 135 VAL HN 134 THR HN 2.80 (# 780:10 Unique
2.12, 2.23 A)
&rst
ixpk= 780, nxpk= 10, iat=2032,2018, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 133 GLU HN 134 THR HN 3.50 (# 781:10 Unique
2.52, 2.64 A)
&rst
ixpk= 781, nxpk= 10, iat=2003,2018, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 134 THR HB 134 THR HN 2.80 (# 782:10 Unique
2.17, 2.22 A)
&rst
ixpk= 782, nxpk= 10, iat=2022,2018, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 134 THR HA 134 THR HN 3.50 (# 783:10 Unique
2.94, 2.97 A)
&rst
ixpk= 783, nxpk= 10, iat=2020,2018, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 133 GLU HB+ 134 THR HN 3.50 (# 784:10 Unique
3.14, 3.77 A)
&rst
ixpk= 784, nxpk= 10, iat= -1,2018, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=2007,2008,
&end
#
# 0 AMB 10-2:785 134 THR HN 3.50 (# 785:10 Single
Ambig)
&rst
ixpk= 785, nxpk= 10, iat= -1,2018, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=2007,2008,2036,1991,
&end
#
# 134 THR MG2 134 THR HN 4.50 (# 786:10 Unique
3.81, 4.35 A)
&rst
ixpk= 786, nxpk= 10, iat= -1,2018, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1=2024,2025,2026,
&end
#
# 0 AMB 10-2:787 134 THR HN 4.50 (# 787:10 Single
Ambig)
&rst
ixpk= 787, nxpk= 10, iat= -1,2018, r1= 1.30, r2= 1.80, r3= 6.49, r4=
6.99,
igr1=2038,2039,2040,2042,2043,2044,1048,1049,1050,
&end
#
# 103 GLU HN 102 LYS HN 3.50 (# 788:10 Unique
2.69, 2.76 A)
&rst
ixpk= 788, nxpk= 10, iat=1533,1511, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 101 LEU HN 102 LYS HN 2.80 (# 789:10 Unique
1.88, 2.00 A)
&rst
ixpk= 789, nxpk= 10, iat=1492,1511, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 101 LEU HA 102 LYS HN 3.50 (# 790:10 Unique
3.48, 3.52 A)
&rst
ixpk= 790, nxpk= 10, iat=1494,1511, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 99 ASP HA 102 LYS HN 4.50 (# 791:10 Unique
3.17, 3.49 A)
&rst
ixpk= 791, nxpk= 10, iat=1465,1511, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 102 LYS HB+ 102 LYS HN 2.80 (# 792:10 Unique
1.95, 2.57 A)
&rst
ixpk= 792, nxpk= 10, iat= -1,1511, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1=1515,1516,
&end
#
# 102 LYS HG+ 102 LYS HN 3.50 (# 794:10 Unique
2.86, 3.81 A)
&rst
ixpk= 794, nxpk= 10, iat= -1,1511, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1518,1519,
&end
#
# 102 LYS HG- 102 LYS HN 4.50 (# 795:10 Unique
2.86, 3.81 A)
&rst
ixpk= 795, nxpk= 10, iat= -1,1511, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1518,1519,
&end
#
# 0 AMB 10-2:796 102 LYS HN 3.50 (# 796:10 Single
Ambig)
&rst
ixpk= 796, nxpk= 10, iat= -1,1511, r1= 1.30, r2= 1.80, r3= 5.61, r4=
6.11,
igr1=1450,1451,1452,1607,1608,1609,1611,1612,1613,1501,
1502,1503,1505,1506,1507,1454,1455,
&end
#
# 0 AMB 10-2:797 102 LYS HN 4.50 (# 797:10 Single
Ambig)
&rst
ixpk= 797, nxpk= 10, iat= -1,1511, r1= 1.30, r2= 1.80, r3= 6.49, r4=
6.99,
igr1=1501,1502,1503,1505,1506,1507,1573,1574,1575,
&end
#
# 0 AMB 10-2:799 126 GLN HE2- 2.80 (# 799:10 Single
Ambig)
&rst
ixpk= 799, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4=
4.46,
igr1=1900,1901,1900,1901,
igr2=1905,1906,
&end
#
# 102 LYS HN 103 GLU HN 3.50 (# 800:10 Unique
2.69, 2.76 A)
&rst
ixpk= 800, nxpk= 10, iat=1511,1533, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 10-2:801 0 AMB 10-1:801 4.50 (# 801:10 Double
Ambig)
&rst
ixpk= 801, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1=1492,1475,1399,1400,
igr2=1533,1444,
&end
#
# 97 LEU HN 98 ILE HN 3.50 (# 802:10 Unique
2.30, 2.50 A)
&rst
ixpk= 802, nxpk= 10, iat=1425,1444, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 98 ILE HA 98 ILE HN 3.50 (# 803:10 Unique
2.76, 2.81 A)
&rst
ixpk= 803, nxpk= 10, iat=1446,1444, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 10-2:804 0 AMB 10-1:804 2.80 (# 804:10 Double
Ambig)
&rst
ixpk= 804, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1=1448,1515,1516,
igr2=1444,1533,
&end
#
# 0 AMB 10-2:805 98 ILE HN 2.80 (# 805:10 Single
Ambig)
&rst
ixpk= 805, nxpk= 10, iat= -1,1444, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1=1454,1455,1429,1430,
&end
#
# 0 AMB 10-2:806 98 ILE HN 2.80 (# 806:10 Single
Ambig)
&rst
ixpk= 806, nxpk= 10, iat= -1,1444, r1= 1.30, r2= 1.80, r3= 3.66, r4=
4.16,
igr1=1454,1455,1450,1451,1452,
&end
#
# 0 AMB 10-2:807 98 ILE HN 3.50 (# 807:10 Single
Ambig)
&rst
ixpk= 807, nxpk= 10, iat= -1,1444, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1434,1435,1436,1438,1439,1440,1457,1458,1459,1501,
1502,1503,1505,1506,1507,1172,1173,1174,
&end
#
# 0 AMB 10-2:808 84 MET HN 3.50 (# 808:10 Single
Ambig)
&rst
ixpk= 808, nxpk= 10, iat= -1,1210, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1227,1247,
&end
#
# 84 MET HA 84 MET HN 3.50 (# 809:10 Unique
2.82, 2.86 A)
&rst
ixpk= 809, nxpk= 10, iat=1212,1210, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 83 GLU HA 84 MET HN 3.50 (# 810:10 Unique
3.53, 3.54 A)
&rst
ixpk= 810, nxpk= 10, iat=1197,1210, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 84 MET HG+ 84 MET HN 3.50 (# 811:10 Unique
2.06, 2.83 A)
&rst
ixpk= 811, nxpk= 10, iat= -1,1210, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1217,1218,
&end
#
# 84 MET HG- 84 MET HN 4.50 (# 812:10 Unique
2.06, 2.83 A)
&rst
ixpk= 812, nxpk= 10, iat= -1,1210, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1217,1218,
&end
#
# 0 AMB 10-2:813 84 MET HN 3.50 (# 813:10 Single
Ambig)
&rst
ixpk= 813, nxpk= 10, iat= -1,1210, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1199,1200,1202,1203,
&end
#
# 0 AMB 10-2:814 84 MET HN 2.80 (# 814:10 Single
Ambig)
&rst
ixpk= 814, nxpk= 10, iat= -1,1210, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1=1214,1215,1214,1215,
&end
#
# 140 GLU HN 139 LEU HN 3.50 (# 815:10 Unique
2.82, 3.01 A)
&rst
ixpk= 815, nxpk= 10, iat=2129,2110, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 138 ARG HN 139 LEU HN 3.50 (# 816:10 Unique
2.36, 2.63 A)
&rst
ixpk= 816, nxpk= 10, iat=2086,2110, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 138 ARG HA 139 LEU HN 3.50 (# 817:10 Unique
3.50, 3.56 A)
&rst
ixpk= 817, nxpk= 10, iat=2088,2110, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 139 LEU HA 139 LEU HN 3.50 (# 818:10 Unique
2.66, 2.72 A)
&rst
ixpk= 818, nxpk= 10, iat=2112,2110, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 10-2:819 139 LEU HN 4.50 (# 819:10 Single
Ambig)
&rst
ixpk= 819, nxpk= 10, iat= -1,2110, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=2050,2153,2146,2147,
&end
#
# 0 AMB 10-2:820 139 LEU HN 2.80 (# 820:10 Single
Ambig)
&rst
ixpk= 820, nxpk= 10, iat= -1,2110, r1= 1.30, r2= 1.80, r3= 3.66, r4=
4.16,
igr1=2117,2090,2091,2090,2091,
&end
#
# 139 LEU HB+ 139 LEU HN 2.80 (# 821:10 Unique
2.20, 2.99 A)
&rst
ixpk= 821, nxpk= 10, iat= -1,2110, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1=2114,2115,
&end
#
# 139 LEU HB- 139 LEU HN 3.50 (# 822:10 Unique
2.20, 2.99 A)
&rst
ixpk= 822, nxpk= 10, iat= -1,2110, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=2114,2115,
&end
#
# 139 LEU MDX 139 LEU HN 3.50 (# 823:10 Unique
2.00, 3.85 A)
&rst
ixpk= 823, nxpk= 10, iat= -1,2110, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1=2119,2120,2121,2123,2124,2125,
&end
#
# 139 LEU MDY 139 LEU HN 3.50 (# 824:10 Unique
2.00, 3.85 A)
&rst
ixpk= 824, nxpk= 10, iat= -1,2110, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1=2119,2120,2121,2123,2124,2125,
&end
#
# 0 AMB 10-2:826 0 AMB 10-1:826 2.80 (# 826:10 Double
Ambig)
&rst
ixpk= 826, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4=
4.94,
igr1=1900,1901,1900,1901,
igr2=1905,1906,1905,1906,
&end
#
# 134 THR HN 132 VAL HN 4.50 (# 827:10 Unique
3.58, 3.65 A)
&rst
ixpk= 827, nxpk= 10, iat=2018,1987, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 131 ALA HN 132 VAL HN 3.50 (# 828:10 Unique
2.79, 2.82 A)
&rst
ixpk= 828, nxpk= 10, iat=1977,1987, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 133 GLU HN 132 VAL HN 3.50 (# 829:10 Unique
2.52, 2.58 A)
&rst
ixpk= 829, nxpk= 10, iat=2003,1987, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 10-2:830 132 VAL HN 4.50 (# 830:10 Single
Ambig)
&rst
ixpk= 830, nxpk= 10, iat= -1,1987, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1979,2005,
&end
#
# 129 LYS HA 132 VAL HN 3.50 (# 831:10 Unique
3.41, 3.47 A)
&rst
ixpk= 831, nxpk= 10, iat=1945,1987, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 132 VAL HA 132 VAL HN 3.50 (# 832:10 Unique
2.86, 2.87 A)
&rst
ixpk= 832, nxpk= 10, iat=1989,1987, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 132 VAL HB 132 VAL HN 3.50 (# 833:10 Unique
2.20, 2.28 A)
&rst
ixpk= 833, nxpk= 10, iat=1991,1987, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 131 ALA MB 132 VAL HN 3.50 (# 834:10 Unique
2.65, 3.48 A)
&rst
ixpk= 834, nxpk= 10, iat= -1,1987, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1=1981,1982,1983,
&end
#
# 132 VAL MGY 132 VAL HN 2.80 (# 835:10 Unique
2.34, 3.82 A)
&rst
ixpk= 835, nxpk= 10, iat= -1,1987, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1=1993,1994,1995,1997,1998,1999,
&end
#
# 0 AMB 10-2:836 132 VAL HN 4.50 (# 836:10 Single
Ambig)
&rst
ixpk= 836, nxpk= 10, iat= -1,1987, r1= 1.30, r2= 1.80, r3= 7.07, r4=
7.57,
igr1= 272, 273, 274, 276, 277, 278,2038,2039,2040,2042,
2043,2044,1048,1049,1050,
&end
#
# 132 VAL MGX 132 VAL HN 3.50 (# 837:10 Unique
2.34, 3.82 A)
&rst
ixpk= 837, nxpk= 10, iat= -1,1987, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1=1993,1994,1995,1997,1998,1999,
&end
#
# 0 AMB 10-2:838 132 VAL HN 4.50 (# 838:10 Single
Ambig)
&rst
ixpk= 838, nxpk= 10, iat= -1,1987, r1= 1.30, r2= 1.80, r3= 5.88, r4=
6.38,
igr1=1695,1696,1697,1045,1046,
&end
#
# 0 AMB 10-2:839 134 THR HN 3.50 (# 839:10 Single
Ambig)
&rst
ixpk= 839, nxpk= 10, iat= -1,2018, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1979,2005,
&end
#
# 126 GLN HA 126 GLN HE2- 4.50 (# 840:10 Unique
2.59, 3.33 A)
&rst
ixpk= 840, nxpk= 10, iat=1895, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1905,1906,
&end
#
# 104 ASP HN 103 GLU HN 3.50 (# 841:10 Unique
2.25, 2.72 A)
&rst
ixpk= 841, nxpk= 10, iat=1548,1533, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 10-2:842 0 AMB 10-1:842 2.80 (# 842:10 Double
Ambig)
&rst
ixpk= 842, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1=1535,1392,
igr2=1533,1444,
&end
#
# 0 AMB 10-2:843 0 AMB 10-1:843 3.50 (# 843:10 Double
Ambig)
&rst
ixpk= 843, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1513,1373,
igr2=1533,1444,
&end
#
# 103 GLU HG+ 103 GLU HN 3.50 (# 844:10 Unique
2.03, 2.90 A)
&rst
ixpk= 844, nxpk= 10, iat= -1,1533, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1540,1541,
&end
#
# 103 GLU HG- 103 GLU HN 3.50 (# 845:10 Unique
2.03, 2.90 A)
&rst
ixpk= 845, nxpk= 10, iat= -1,1533, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1540,1541,
&end
#
# 103 GLU HB+ 103 GLU HN 3.50 (# 846:10 Unique
2.01, 2.95 A)
&rst
ixpk= 846, nxpk= 10, iat= -1,1533, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1537,1538,
&end
#
# 103 GLU HB- 103 GLU HN 2.80 (# 847:10 Unique
2.01, 2.95 A)
&rst
ixpk= 847, nxpk= 10, iat= -1,1533, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1=1537,1538,
&end
#
# 102 LYS HG- 103 GLU HN 4.50 (# 848:10 Unique
2.33, 3.41 A)
&rst
ixpk= 848, nxpk= 10, iat= -1,1533, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1518,1519,
&end
#
# 15 ASP HN 16 ASP HN 3.50 (# 849:10 Unique
2.56, 2.62 A)
&rst
ixpk= 849, nxpk= 10, iat= 201, 213, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 17 GLY HN 16 ASP HN 3.50 (# 850:10 Unique
2.72, 2.80 A)
&rst
ixpk= 850, nxpk= 10, iat= 225, 213, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 16 ASP HA 16 ASP HN 3.50 (# 851:10 Unique
2.78, 2.84 A)
&rst
ixpk= 851, nxpk= 10, iat= 215, 213, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 118 VAL HA 16 ASP HN 4.50 (# 852:10 Unique
3.49, 3.55 A)
&rst
ixpk= 852, nxpk= 10, iat=1765, 213, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 10-2:853 16 ASP HN 2.80 (# 853:10 Single
Ambig)
&rst
ixpk= 853, nxpk= 10, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1= 217, 218, 205, 206,
&end
#
# 0 AMB 10-2:854 16 ASP HN 2.80 (# 854:10 Single
Ambig)
&rst
ixpk= 854, nxpk= 10, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1= 217, 218, 205, 206,
&end
#
# 118 VAL MGY 16 ASP HN 3.50 (# 855:10 Unique
2.27, 4.05 A)
&rst
ixpk= 855, nxpk= 10, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1=1769,1770,1771,1773,1774,1775,
&end
#
# 118 VAL MGX 16 ASP HN 3.50 (# 856:10 Unique
2.27, 4.05 A)
&rst
ixpk= 856, nxpk= 10, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1=1769,1770,1771,1773,1774,1775,
&end
#
# 80 ASP HN 79 ASP HN 2.80 (# 857:10 Unique
2.57, 2.63 A)
&rst
ixpk= 857, nxpk= 10, iat=1154,1142, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 79 ASP HA 79 ASP HN 3.50 (# 858:10 Unique
2.88, 2.89 A)
&rst
ixpk= 858, nxpk= 10, iat=1144,1142, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 78 PRO HA 79 ASP HN 3.50 (# 859:10 Unique
3.53, 3.55 A)
&rst
ixpk= 859, nxpk= 10, iat=1138,1142, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 78 PRO HD+ 79 ASP HN 3.50 (# 860:10 Unique
3.25, 3.91 A)
&rst
ixpk= 860, nxpk= 10, iat= -1,1142, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1129,1130,
&end
#
# 79 ASP HB+ 79 ASP HN 2.80 (# 861:10 Unique
2.46, 2.52 A)
&rst
ixpk= 861, nxpk= 10, iat= -1,1142, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1=1146,1147,
&end
#
# 0 AMB 10-2:862 79 ASP HN 2.80 (# 862:10 Single
Ambig)
&rst
ixpk= 862, nxpk= 10, iat= -1,1142, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1=1146,1147,1120,1121,
&end
#
# 0 AMB 10-2:863 79 ASP HN 4.50 (# 863:10 Single
Ambig)
&rst
ixpk= 863, nxpk= 10, iat= -1,1142, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1135,1136,1132,1133,
&end
#
# 78 PRO HB- 79 ASP HN 4.50 (# 864:10 Unique
2.91, 3.83 A)
&rst
ixpk= 864, nxpk= 10, iat= -1,1142, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1135,1136,
&end
#
# 51 ARG HN 50 ILE HN 3.50 (# 865:10 Unique
2.58, 2.67 A)
&rst
ixpk= 865, nxpk= 10, iat= 687, 668, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 49 ALA HN 50 ILE HN 3.50 (# 866:10 Unique
2.59, 2.66 A)
&rst
ixpk= 866, nxpk= 10, iat= 658, 668, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 49 ALA HA 50 ILE HN 3.50 (# 867:10 Unique
3.55, 3.56 A)
&rst
ixpk= 867, nxpk= 10, iat= 660, 668, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 10-2:868 50 ILE HN 2.80 (# 868:10 Single
Ambig)
&rst
ixpk= 868, nxpk= 10, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1= 670, 625,
&end
#
# 50 ILE HG1- 50 ILE HN 2.80 (# 869:10 Unique
1.97, 2.80 A)
&rst
ixpk= 869, nxpk= 10, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1= 678, 679,
&end
#
# 50 ILE HB 50 ILE HN 2.80 (# 870:10 Unique
2.44, 2.53 A)
&rst
ixpk= 870, nxpk= 10, iat= 672, 668, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 49 ALA MB 50 ILE HN 2.80 (# 871:10 Unique
2.50, 3.36 A)
&rst
ixpk= 871, nxpk= 10, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr1= 662, 663, 664,
&end
#
# 50 ILE HG1+ 50 ILE HN 2.80 (# 872:10 Unique
1.97, 2.80 A)
&rst
ixpk= 872, nxpk= 10, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1= 678, 679,
&end
#
# 105 ILE HG1- 105 ILE HN 3.50 (# 873:10 Unique
2.24, 3.01 A)
&rst
ixpk= 873, nxpk= 10, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1570,1571,
&end
#
# 116 ASP HN 117 ILE HN 3.50 (# 874:10 Unique
1.81, 1.93 A)
&rst
ixpk= 874, nxpk= 10, iat=1732,1744, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 117 ILE HA 117 ILE HN 3.50 (# 876:10 Unique
2.94, 2.95 A)
&rst
ixpk= 876, nxpk= 10, iat=1746,1744, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 116 ASP HB+ 117 ILE HN 3.50 (# 877:10 Unique
2.53, 3.45 A)
&rst
ixpk= 877, nxpk= 10, iat= -1,1744, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1736,1737,
&end
#
# 15 ASP HB- 117 ILE HN 3.50 (# 878:10 Unique
3.16, 3.79 A)
&rst
ixpk= 878, nxpk= 10, iat= -1,1744, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 205, 206,
&end
#
# 116 ASP HB- 117 ILE HN 3.50 (# 879:10 Unique
2.53, 3.45 A)
&rst
ixpk= 879, nxpk= 10, iat= -1,1744, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1736,1737,
&end
#
# 117 ILE HB 117 ILE HN 4.50 (# 880:10 Unique
3.03, 3.71 A)
&rst
ixpk= 880, nxpk= 10, iat=1748,1744, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 117 ILE HG1+ 117 ILE HN 4.50 (# 881:10 Unique
2.18, 3.25 A)
&rst
ixpk= 881, nxpk= 10, iat= -1,1744, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1754,1755,
&end
#
# 117 ILE HG1- 117 ILE HN 4.50 (# 882:10 Unique
2.18, 3.25 A)
&rst
ixpk= 882, nxpk= 10, iat= -1,1744, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1754,1755,
&end
#
# 117 ILE QD1 117 ILE HN 4.50 (# 883:10 Unique
2.66, 4.69 A)
&rst
ixpk= 883, nxpk= 10, iat= -1,1744, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1=1757,1758,1759,
&end
#
# 65 ASP HA 114 GLN HE2- 3.50 (# 884:10 Unique
2.12, 2.63 A)
&rst
ixpk= 884, nxpk= 10, iat= 932, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1713,1714,
&end
#
# 115 PRO HD- 114 GLN HE2- 3.50 (# 886:10 Unique
1.95, 3.46 A)
&rst
ixpk= 886, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1719,1720,
igr2=1713,1714,
&end
#
# 0 AMB 10-2:887 114 GLN HE2- 3.50 (# 887:10 Single
Ambig)
&rst
ixpk= 887, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1=1708,1709,1705,1706,
igr2=1713,1714,
&end
#
# 65 ASP HA 114 GLN HE2+ 3.50 (# 889:10 Unique
2.12, 2.63 A)
&rst
ixpk= 889, nxpk= 10, iat= 932, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1713,1714,
&end
#
# 115 PRO HD- 114 GLN HE2+ 3.50 (# 890:10 Unique
1.95, 3.46 A)
&rst
ixpk= 890, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1719,1720,
igr2=1713,1714,
&end
#
# 0 AMB 10-2:891 0 AMB 10-1:891 3.50 (# 891:10 Double
Ambig)
&rst
ixpk= 891, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4=
6.06,
igr1=1708,1709,1705,1706,
igr2=1713,1714,1713,1714,
&end
#
# 114 GLN HG+ 114 GLN HE2+ 3.50 (# 892:10 Unique
2.23, 3.28 A)
&rst
ixpk= 892, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1708,1709,
igr2=1713,1714,
&end
#
# 25 LYS HN 26 CYS HN 3.50 (# 893:10 Unique
2.71, 2.76 A)
&rst
ixpk= 893, nxpk= 10, iat= 326, 348, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 26 CYS HA 26 CYS HN 3.50 (# 895:10 Unique
2.83, 2.86 A)
&rst
ixpk= 895, nxpk= 10, iat= 350, 348, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 10-2:896 26 CYS HN 3.50 (# 896:10 Single
Ambig)
&rst
ixpk= 896, nxpk= 10, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1= 303, 328, 284,
&end
#
# 26 CYS HB- 26 CYS HN 3.50 (# 897:10 Unique
2.23, 3.00 A)
&rst
ixpk= 897, nxpk= 10, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 352, 353,
&end
#
# 26 CYS HB+ 26 CYS HN 2.80 (# 898:10 Unique
2.23, 3.00 A)
&rst
ixpk= 898, nxpk= 10, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1= 352, 353,
&end
#
# 0 AMB 10-2:900 26 CYS HN 2.80 (# 900:10 Single
Ambig)
&rst
ixpk= 900, nxpk= 10, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1= 330, 331, 333, 334,
&end
#
# 0 AMB 10-2:901 26 CYS HN 4.50 (# 901:10 Single
Ambig)
&rst
ixpk= 901, nxpk= 10, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1= 291, 292, 293, 295, 296, 297, 492, 493, 494, 496,
497, 498,
&end
#
# 25 LYS HB+ 26 CYS HN 3.50 (# 902:10 Unique
2.49, 3.09 A)
&rst
ixpk= 902, nxpk= 10, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 330, 331,
&end
#
# 83 GLU HA 83 GLU HN 3.50 (# 903:10 Unique
2.93, 2.94 A)
&rst
ixpk= 903, nxpk= 10, iat=1197,1195, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 82 ALA HA 83 GLU HN 3.50 (# 904:10 Unique
3.50, 3.54 A)
&rst
ixpk= 904, nxpk= 10, iat=1187,1195, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 84 MET HG- 83 GLU HN 4.50 (# 905:10 Unique
3.59, 4.38 A)
&rst
ixpk= 905, nxpk= 10, iat= -1,1195, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1217,1218,
&end
#
# 83 GLU HB- 83 GLU HN 2.80 (# 906:10 Unique
2.47, 3.01 A)
&rst
ixpk= 906, nxpk= 10, iat= -1,1195, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1=1199,1200,
&end
#
# 82 ALA MB 83 GLU HN 3.50 (# 907:10 Unique
2.93, 3.75 A)
&rst
ixpk= 907, nxpk= 10, iat= -1,1195, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1=1189,1190,1191,
&end
#
# 0 AMB 10-2:908 83 GLU HN 3.50 (# 908:10 Single
Ambig)
&rst
ixpk= 908, nxpk= 10, iat= -1,1195, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1199,1200,1202,1203,
&end
#
# 0 AMB 10-2:910 144 GLY HN 4.50 (# 910:10 Single
Ambig)
&rst
ixpk= 910, nxpk= 10, iat= -1,2190, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=2179,2180,2213,2214,
&end
#
# 99 ASP HN 100 GLN HN 3.50 (# 911:10 Unique
2.88, 3.02 A)
&rst
ixpk= 911, nxpk= 10, iat=1463,1475, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 99 ASP HA 100 GLN HN 4.50 (# 912:10 Unique
3.46, 3.53 A)
&rst
ixpk= 912, nxpk= 10, iat=1465,1475, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 100 GLN HA 100 GLN HN 3.50 (# 913:10 Unique
2.86, 2.91 A)
&rst
ixpk= 913, nxpk= 10, iat=1477,1475, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 97 LEU HA 100 GLN HN 4.50 (# 914:10 Unique
3.72, 4.10 A)
&rst
ixpk= 914, nxpk= 10, iat=1427,1475, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 99 ASP HB+ 100 GLN HN 3.50 (# 915:10 Unique
2.60, 3.52 A)
&rst
ixpk= 915, nxpk= 10, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1467,1468,
&end
#
# 99 ASP HB- 100 GLN HN 3.50 (# 916:10 Unique
2.60, 3.52 A)
&rst
ixpk= 916, nxpk= 10, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1467,1468,
&end
#
# 0 AMB 10-2:917 100 GLN HN 2.80 (# 917:10 Single
Ambig)
&rst
ixpk= 917, nxpk= 10, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1=1482,1483,1479,1480,1479,1480,
&end
#
# 0 AMB 10-2:918 100 GLN HN 4.50 (# 918:10 Single
Ambig)
&rst
ixpk= 918, nxpk= 10, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 7.07, r4=
7.57,
igr1=1501,1502,1503,1505,1506,1507, 636, 637, 638, 629,
630, 631,1450,1451,1452,
&end
#
# 143 GLU HA 144 GLY HN 3.50 (# 919:10 Unique
2.18, 2.42 A)
&rst
ixpk= 919, nxpk= 10, iat=2177,2190, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 10-2:920 144 GLY HN 2.80 (# 920:10 Single
Ambig)
&rst
ixpk= 920, nxpk= 10, iat= -1,2190, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1=2192,2193,2192,2193,
&end
#
# 103 GLU HN 104 ASP HN 3.50 (# 921:10 Unique
2.25, 2.72 A)
&rst
ixpk= 921, nxpk= 10, iat=1533,1548, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 105 ILE HN 104 ASP HN 2.80 (# 922:10 Unique
1.91, 2.12 A)
&rst
ixpk= 922, nxpk= 10, iat=1560,1548, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 103 GLU HA 104 ASP HN 3.50 (# 923:10 Unique
3.29, 3.41 A)
&rst
ixpk= 923, nxpk= 10, iat=1535,1548, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 102 LYS HA 104 ASP HN 4.50 (# 924:10 Unique
3.68, 3.89 A)
&rst
ixpk= 924, nxpk= 10, iat=1513,1548, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 104 ASP HB- 104 ASP HN 3.50 (# 925:10 Unique
2.30, 2.76 A)
&rst
ixpk= 925, nxpk= 10, iat= -1,1548, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1552,1553,
&end
#
# 104 ASP HB+ 104 ASP HN 2.80 (# 926:10 Unique
2.30, 2.76 A)
&rst
ixpk= 926, nxpk= 10, iat= -1,1548, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1=1552,1553,
&end
#
# 0 AMB 10-2:927 104 ASP HN 3.50 (# 927:10 Single
Ambig)
&rst
ixpk= 927, nxpk= 10, iat= -1,1548, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1537,1538,1515,1516,
&end
#
# 103 GLU HB- 104 ASP HN 4.50 (# 928:10 Unique
3.22, 4.00 A)
&rst
ixpk= 928, nxpk= 10, iat= -1,1548, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1537,1538,
&end
#
# 96 TYR HN 95 ASN HN 3.50 (# 929:10 Unique
2.69, 2.77 A)
&rst
ixpk= 929, nxpk= 10, iat=1404,1390, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 95 ASN HA 95 ASN HN 3.50 (# 930:10 Unique
2.82, 2.84 A)
&rst
ixpk= 930, nxpk= 10, iat=1392,1390, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 95 ASN HB+ 95 ASN HN 3.50 (# 931:10 Unique
2.24, 2.93 A)
&rst
ixpk= 931, nxpk= 10, iat= -1,1390, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1394,1395,
&end
#
# 95 ASN HB- 95 ASN HN 3.50 (# 932:10 Unique
2.24, 2.93 A)
&rst
ixpk= 932, nxpk= 10, iat= -1,1390, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1394,1395,
&end
#
# 57 ARG HN 56 THR HN 2.80 (# 933:10 Unique
2.18, 2.28 A)
&rst
ixpk= 933, nxpk= 10, iat= 797, 783, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 55 PRO HA 56 THR HN 2.80 (# 934:10 Unique
2.12, 2.23 A)
&rst
ixpk= 934, nxpk= 10, iat= 779, 783, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 56 THR HB 56 THR HN 3.50 (# 935:10 Unique
2.05, 2.18 A)
&rst
ixpk= 935, nxpk= 10, iat= 787, 783, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 2 THR HB 56 THR HN 3.50 (# 936:10 Unique
2.51, 2.74 A)
&rst
ixpk= 936, nxpk= 10, iat= 25, 783, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 55 PRO HB+ 56 THR HN 3.50 (# 937:10 Unique
2.96, 3.40 A)
&rst
ixpk= 937, nxpk= 10, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 776, 777,
&end
#
# 0 AMB 10-2:938 56 THR HN 3.50 (# 938:10 Single
Ambig)
&rst
ixpk= 938, nxpk= 10, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 776, 777, 801, 802,
&end
#
# 0 AMB 10-2:939 56 THR HN 4.50 (# 939:10 Single
Ambig)
&rst
ixpk= 939, nxpk= 10, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 5.88, r4=
6.38,
igr1= 789, 790, 791, 730, 731,
&end
#
# 0 AMB 10-2:940 39 GLY HN 3.50 (# 940:10 Single
Ambig)
&rst
ixpk= 940, nxpk= 10, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 101, 521,
&end
#
# 40 GLY HN 39 GLY HN 3.50 (# 941:10 Unique
2.22, 2.45 A)
&rst
ixpk= 941, nxpk= 10, iat= 540, 533, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 10-2:942 39 GLY HN 2.80 (# 942:10 Single
Ambig)
&rst
ixpk= 942, nxpk= 10, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1= 523, 114,
&end
#
# 39 GLY HA- 39 GLY HN 3.50 (# 943:10 Unique
2.27, 2.64 A)
&rst
ixpk= 943, nxpk= 10, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 535, 536,
&end
#
# 39 GLY HA+ 39 GLY HN 3.50 (# 944:10 Unique
2.27, 2.64 A)
&rst
ixpk= 944, nxpk= 10, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 535, 536,
&end
#
# 6 LEU MDY 39 GLY HN 3.50 (# 945:10 Unique
2.20, 4.27 A)
&rst
ixpk= 945, nxpk= 10, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 91, 92, 93, 95, 96, 97,
&end
#
# 0 AMB 10-2:946 141 GLY HN 2.80 (# 946:10 Single
Ambig)
&rst
ixpk= 946, nxpk= 10, iat= -1,2144, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1=2146,2147,2146,2147,
&end
#
# 0 AMB 10-2:947 51 ARG HE 3.50 (# 947:10 Single
Ambig)
&rst
ixpk= 947, nxpk= 10, iat= -1, 700, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 697, 698, 697, 698,
&end
#
# 51 ARG HG- 51 ARG HE 4.50 (# 948:10 Unique
2.50, 2.74 A)
&rst
ixpk= 948, nxpk= 10, iat= -1, 700, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 694, 695,
&end
#
# 51 ARG HG+ 51 ARG HE 4.50 (# 949:10 Unique
2.50, 2.74 A)
&rst
ixpk= 949, nxpk= 10, iat= -1, 700, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 694, 695,
&end
#
# 142 TRP HN 141 GLY HN 4.50 (# 950:10 Unique
1.82, 2.02 A)
&rst
ixpk= 950, nxpk= 10, iat=2151,2144, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 10-2:951 141 GLY HN 3.50 (# 951:10 Single
Ambig)
&rst
ixpk= 951, nxpk= 10, iat= -1,2144, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1=2131, 427, 428,
&end
#
# 74 ARG HD+ 74 ARG HE 3.50 (# 953:10 Unique
2.24, 2.62 A)
&rst
ixpk= 953, nxpk= 10, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1064,1065,
&end
#
# 0 AMB 10-2:954 74 ARG HE 3.50 (# 954:10 Single
Ambig)
&rst
ixpk= 954, nxpk= 10, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 4.58, r4=
5.08,
igr1=1061,1062,2249,2250,2251,
&end
#
# 0 AMB 10-2:955 89 THR HN 3.50 (# 955:10 Single
Ambig)
&rst
ixpk= 955, nxpk= 10, iat= -1,1295, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1297,1299,
&end
#
# 88 THR HA 89 THR HN 3.50 (# 956:10 Unique
2.27, 3.35 A)
&rst
ixpk= 956, nxpk= 10, iat=1283,1295, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 88 THR HB 89 THR HN 4.50 (# 957:10 Unique
2.11, 3.30 A)
&rst
ixpk= 957, nxpk= 10, iat=1285,1295, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 89 THR MG2 89 THR HN 4.50 (# 958:10 Unique
2.69, 4.61 A)
&rst
ixpk= 958, nxpk= 10, iat= -1,1295, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1=1301,1302,1303,
&end
#
# 0 AMB 10-2:961 0 AMB 10-1:961 3.50 (# 961:10 Double
Ambig)
&rst
ixpk= 961, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4=
6.06,
igr1= 989, 990, 989, 990,
igr2= 994, 995, 994, 995,
&end
#
# 138 ARG HD- 138 ARG HE 4.50 (# 962:10 Unique
2.47, 2.81 A)
&rst
ixpk= 962, nxpk= 10, iat= -1,2099, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=2096,2097,
&end
#
# 0 AMB 10-2:963 69 ASN HD2- 2.80 (# 963:10 Single
Ambig)
&rst
ixpk= 963, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4=
4.46,
igr1= 989, 990, 989, 990,
igr2= 994, 995,
&end
#
# 53 LEU HN 54 ARG HN 3.50 (# 964:10 Unique
2.19, 2.28 A)
&rst
ixpk= 964, nxpk= 10, iat= 726, 745, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 54 ARG HA 54 ARG HN 2.80 (# 965:10 Unique
2.24, 2.27 A)
&rst
ixpk= 965, nxpk= 10, iat= 747, 745, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 55 PRO HD+ 54 ARG HN 3.50 (# 966:10 Unique
2.14, 3.05 A)
&rst
ixpk= 966, nxpk= 10, iat= -1, 745, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 770, 771,
&end
#
# 53 LEU HB+ 54 ARG HN 3.50 (# 967:10 Unique
2.80, 3.66 A)
&rst
ixpk= 967, nxpk= 10, iat= -1, 745, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 730, 731,
&end
#
# 0 AMB 10-2:968 54 ARG HN 3.50 (# 968:10 Single
Ambig)
&rst
ixpk= 968, nxpk= 10, iat= -1, 745, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 749, 750, 691, 692, 691, 692,
&end
#
# 0 AMB 10-2:969 54 ARG HN 3.50 (# 969:10 Single
Ambig)
&rst
ixpk= 969, nxpk= 10, iat= -1, 745, r1= 1.30, r2= 1.80, r3= 4.58, r4=
5.08,
igr1= 749, 750, 773, 774, 733,
&end
#
# 0 AMB 10-2:970 54 ARG HN 2.80 (# 970:10 Single
Ambig)
&rst
ixpk= 970, nxpk= 10, iat= -1, 745, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1= 752, 753, 752, 753,
&end
#
# 33 ASN HB+ 33 ASN HD2- 3.50 (# 972:10 Unique
2.27, 3.37 A)
&rst
ixpk= 972, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 436, 437,
igr2= 441, 442,
&end
#
# 33 ASN HB- 33 ASN HD2- 3.50 (# 973:10 Unique
2.27, 3.37 A)
&rst
ixpk= 973, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 436, 437,
igr2= 441, 442,
&end
#
# 33 ASN HB- 33 ASN HD2+ 3.50 (# 975:10 Unique
2.27, 3.37 A)
&rst
ixpk= 975, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 436, 437,
igr2= 441, 442,
&end
#
# 57 ARG HD+ 57 ARG HE 4.50 (# 976:10 Unique
2.41, 2.80 A)
&rst
ixpk= 976, nxpk= 10, iat= -1, 810, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 807, 808,
&end
#
# 57 ARG HD- 57 ARG HE 4.50 (# 977:10 Unique
2.41, 2.80 A)
&rst
ixpk= 977, nxpk= 10, iat= -1, 810, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 807, 808,
&end
#
# 57 ARG HB+ 57 ARG HE 3.50 (# 978:10 Unique
1.85, 2.57 A)
&rst
ixpk= 978, nxpk= 10, iat= -1, 810, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 801, 802,
&end
#
# 57 ARG HB- 57 ARG HE 4.50 (# 979:10 Unique
1.85, 2.57 A)
&rst
ixpk= 979, nxpk= 10, iat= -1, 810, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 801, 802,
&end
#
# 0 AMB 10-2:980 57 ARG HE 3.50 (# 980:10 Single
Ambig)
&rst
ixpk= 980, nxpk= 10, iat= -1, 810, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 804, 805, 804, 805,
&end
#
# 136 TYR HN 137 GLN HN 3.50 (# 981:10 Unique
2.95, 3.08 A)
&rst
ixpk= 981, nxpk= 10, iat=2048,2069, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 138 ARG HN 137 GLN HN 3.50 (# 982:10 Unique
2.68, 2.74 A)
&rst
ixpk= 982, nxpk= 10, iat=2086,2069, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 133 GLU HA 0 AMB 10-1:983 4.50 (# 983:10 Single
Ambig)
&rst
ixpk= 983, nxpk= 10, iat=2005, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr2=2069,2081,2082,
&end
#
# 0 AMB 10-2:984 0 AMB 10-1:984 3.50 (# 984:10 Double
Ambig)
&rst
ixpk= 984, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1=2020,2050,
igr2=2081,2082,2069,
&end
#
# 137 GLN HA 0 AMB 10-1:985 3.50 (# 985:10 Single
Ambig)
&rst
ixpk= 985, nxpk= 10, iat=2071, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr2=2069,2081,2082,
&end
#
# 136 TYR HB+ 137 GLN HN 3.50 (# 986:10 Unique
2.49, 3.40 A)
&rst
ixpk= 986, nxpk= 10, iat= -1,2069, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=2052,2053,
&end
#
# 136 TYR HB- 137 GLN HN 3.50 (# 987:10 Unique
2.49, 3.40 A)
&rst
ixpk= 987, nxpk= 10, iat= -1,2069, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=2052,2053,
&end
#
# 0 AMB 10-2:988 0 AMB 10-1:988 2.80 (# 988:10 Double
Ambig)
&rst
ixpk= 988, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4=
4.74,
igr1=2076,2077,2076,2077,
igr2=2069,2081,2082,
&end
#
# 137 GLN HG- 0 AMB 10-1:989 2.80 (# 989:10 Single
Ambig)
&rst
ixpk= 989, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1=2076,2077,
igr2=2069,2081,2082,
&end
#
# 0 AMB 10-2:990 0 AMB 10-1:990 2.80 (# 990:10 Double
Ambig)
&rst
ixpk= 990, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4=
5.03,
igr1=2073,2074,2010,2011,2073,2074,
igr2=2069,2081,2082,
&end
#
# 137 GLN HB- 0 AMB 10-1:991 2.80 (# 991:10 Single
Ambig)
&rst
ixpk= 991, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1=2073,2074,
igr2=2069,2081,2082,
&end
#
# 95 ASN HB+ 95 ASN HD2- 3.50 (# 993:10 Unique
2.60, 3.62 A)
&rst
ixpk= 993, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1394,1395,
igr2=1399,1400,
&end
#
# 100 GLN HG- 100 GLN HE2- 3.50 (# 995:10 Unique
2.03, 3.45 A)
&rst
ixpk= 995, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1482,1483,
igr2=1487,1488,
&end
#
# 0 AMB 10-2:996 100 GLN HE2- 3.50 (# 996:10 Single
Ambig)
&rst
ixpk= 996, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1=1479,1480,1479,1480,1482,1483,
igr2=1487,1488,
&end
#
# 100 GLN HG- 100 GLN HE2+ 3.50 (# 998:10 Unique
2.03, 3.45 A)
&rst
ixpk= 998, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1482,1483,
igr2=1487,1488,
&end
#
# 0 AMB 10-2:999 0 AMB 10-1:999 3.50 (# 999:10 Double
Ambig)
&rst
ixpk= 999, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1=1479,1480,1479,1480,1482,1483,
igr2=1487,1488,1487,1488,1487,1488,
&end
#
# 95 ASN HB+ 95 ASN HD2+ 3.50 (# 1001:10 Unique
2.60, 3.62 A)
&rst
ixpk= 1001, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1394,1395,
igr2=1399,1400,
&end
#
# 72 GLU HN 71 GLY HN 3.50 (# 1002:10 Unique
2.54, 2.61 A)
&rst
ixpk= 1002, nxpk= 10, iat=1020,1013, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 71 GLY HA+ 71 GLY HN 3.50 (# 1003:10 Unique
2.28, 2.60 A)
&rst
ixpk= 1003, nxpk= 10, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1015,1016,
&end
#
# 70 PRO HA 71 GLY HN 2.80 (# 1004:10 Unique
2.17, 2.20 A)
&rst
ixpk= 1004, nxpk= 10, iat=1009,1013, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 71 GLY HA- 71 GLY HN 3.50 (# 1005:10 Unique
2.28, 2.60 A)
&rst
ixpk= 1005, nxpk= 10, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1015,1016,
&end
#
# 0 AMB 10-2:1006 71 GLY HN 2.80 (# 1006:10 Single
Ambig)
&rst
ixpk= 1006, nxpk= 10, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1=1705,1706,1705,1706,
&end
#
# 0 AMB 10-2:1007 71 GLY HN 3.50 (# 1007:10 Single
Ambig)
&rst
ixpk= 1007, nxpk= 10, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1=1006,1007,1708,1709,1914,1915,
&end
#
# 128 ILE QD1 71 GLY HN 3.50 (# 1008:10 Unique
2.36, 3.07 A)
&rst
ixpk= 1008, nxpk= 10, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1=1937,1938,1939,
&end
#
# 105 ILE HB 106 GLY HN 4.50 (# 1009:10 Unique
3.87, 4.00 A)
&rst
ixpk= 1009, nxpk= 10, iat=1564,1579, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 10-2:1012 88 THR HN 3.50 (# 1012:10 Single
Ambig)
&rst
ixpk= 1012, nxpk= 10, iat= -1,1281, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1264,1295,
&end
#
# 0 AMB 10-2:1013 88 THR HN 3.50 (# 1013:10 Single
Ambig)
&rst
ixpk= 1013, nxpk= 10, iat= -1,1281, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1=1266,1229,1311,
&end
#
# 88 THR HA 88 THR HN 3.50 (# 1014:10 Unique
2.73, 2.79 A)
&rst
ixpk= 1014, nxpk= 10, iat=1283,1281, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 88 THR HB 88 THR HN 3.50 (# 1015:10 Unique
2.67, 3.35 A)
&rst
ixpk= 1015, nxpk= 10, iat=1285,1281, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 88 THR MG2 88 THR HN 3.50 (# 1016:10 Unique
1.82, 2.91 A)
&rst
ixpk= 1016, nxpk= 10, iat= -1,1281, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1=1287,1288,1289,
&end
#
# 45 ASN HB+ 45 ASN HD2+ 3.50 (# 1018:10 Unique
2.30, 3.44 A)
&rst
ixpk= 1018, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 601, 602,
igr2= 606, 607,
&end
#
# 42 ALA MB 45 ASN HD2+ 3.50 (# 1019:10 Unique
2.29, 4.44 A)
&rst
ixpk= 1019, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 562, 563, 564,
igr2= 606, 607,
&end
#
# 45 ASN HB+ 45 ASN HD2- 3.50 (# 1021:10 Unique
2.30, 3.44 A)
&rst
ixpk= 1021, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 601, 602,
igr2= 606, 607,
&end
#
# 42 ALA MB 45 ASN HD2- 3.50 (# 1022:10 Unique
2.29, 4.44 A)
&rst
ixpk= 1022, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 562, 563, 564,
igr2= 606, 607,
&end
#
# 137 GLN HG+ 137 GLN HE2+ 3.50 (# 1024:10 Unique
2.28, 3.41 A)
&rst
ixpk= 1024, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=2076,2077,
igr2=2081,2082,
&end
#
# 137 GLN HG- 137 GLN HE2+ 3.50 (# 1025:10 Unique
2.28, 3.41 A)
&rst
ixpk= 1025, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=2076,2077,
igr2=2081,2082,
&end
#
# 107 GLU HN 106 GLY HN 3.50 (# 1026:10 Unique
2.61, 2.78 A)
&rst
ixpk= 1026, nxpk= 10, iat=1586,1579, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 56 THR HA 106 GLY HN 3.50 (# 1027:10 Unique
2.84, 3.21 A)
&rst
ixpk= 1027, nxpk= 10, iat= 785,1579, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 105 ILE HA 106 GLY HN 2.80 (# 1028:10 Unique
2.19, 2.26 A)
&rst
ixpk= 1028, nxpk= 10, iat=1562,1579, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 106 GLY HA+ 106 GLY HN 2.80 (# 1029:10 Unique
2.26, 2.57 A)
&rst
ixpk= 1029, nxpk= 10, iat= -1,1579, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1=1581,1582,
&end
#
# 106 GLY HA- 106 GLY HN 2.80 (# 1030:10 Unique
2.26, 2.57 A)
&rst
ixpk= 1030, nxpk= 10, iat= -1,1579, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1=1581,1582,
&end
#
# 105 ILE QG2 106 GLY HN 3.50 (# 1031:10 Unique
2.41, 3.08 A)
&rst
ixpk= 1031, nxpk= 10, iat= -1,1579, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1=1566,1567,1568,
&end
#
# 91 ASN HB+ 91 ASN HD2- 3.50 (# 1033:10 Unique
2.22, 3.12 A)
&rst
ixpk= 1033, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1330,1331,
igr2=1335,1336,
&end
#
# 91 ASN HB- 91 ASN HD2- 3.50 (# 1034:10 Unique
2.22, 3.12 A)
&rst
ixpk= 1034, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1330,1331,
igr2=1335,1336,
&end
#
# 91 ASN HB- 91 ASN HD2+ 4.50 (# 1036:10 Unique
2.22, 3.12 A)
&rst
ixpk= 1036, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1330,1331,
igr2=1335,1336,
&end
#
# 8 VAL HA 9 GLY HN 2.80 (# 1037:10 Unique
2.25, 2.29 A)
&rst
ixpk= 1037, nxpk= 10, iat= 114, 128, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 0 AMB 10-2:1038 9 GLY HN 3.50 (# 1038:10 Single
Ambig)
&rst
ixpk= 1038, nxpk= 10, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1= 130, 131, 549,
&end
#
# 0 AMB 10-2:1039 9 GLY HN 3.50 (# 1039:10 Single
Ambig)
&rst
ixpk= 1039, nxpk= 10, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 542, 543, 130, 131,
&end
#
# 0 AMB 10-2:1040 9 GLY HN 4.50 (# 1040:10 Single
Ambig)
&rst
ixpk= 1040, nxpk= 10, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 5.88, r4=
6.38,
igr1= 116, 575, 576, 575, 576,
&end
#
# 8 VAL MGY 9 GLY HN 2.80 (# 1041:10 Unique
2.37, 4.14 A)
&rst
ixpk= 1041, nxpk= 10, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1= 118, 119, 120, 122, 123, 124,
&end
#
# 8 VAL MGX 9 GLY HN 3.50 (# 1042:10 Unique
2.37, 4.14 A)
&rst
ixpk= 1042, nxpk= 10, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 118, 119, 120, 122, 123, 124,
&end
#
# 150 GLN HG+ 150 GLN HE2- 2.80 (# 1045:10 Unique
2.29, 3.40 A)
&rst
ixpk= 1045, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1=2262,2263,
igr2=2267,2268,
&end
#
# 150 GLN HG+ 150 GLN HE2+ 3.50 (# 1047:10 Unique
2.29, 3.40 A)
&rst
ixpk= 1047, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=2262,2263,
igr2=2267,2268,
&end
#
# 10 ASN HB+ 10 ASN HD2+ 3.50 (# 1049:10 Unique
2.21, 3.17 A)
&rst
ixpk= 1049, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 139, 140,
igr2= 144, 145,
&end
#
# 10 ASN HB+ 10 ASN HD2- 3.50 (# 1050:10 Unique
2.21, 3.17 A)
&rst
ixpk= 1050, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 139, 140,
igr2= 144, 145,
&end
#
# 0 AMB 10-2:1051 10 ASN HD2- 3.50 (# 1051:10 Single
Ambig)
&rst
ixpk= 1051, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1= 139, 140, 167, 168,
igr2= 144, 145,
&end
#
# 0 AMB 10-2:1052 10 ASN HD2- 3.50 (# 1052:10 Single
Ambig)
&rst
ixpk= 1052, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4=
5.64,
igr1= 181, 182, 188, 189, 190,
igr2= 144, 145,
&end
#
# 0 AMB 10-2:1053 0 AMB 10-1:1053 3.50 (# 1053:10 Double
Ambig)
&rst
ixpk= 1053, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4=
6.06,
igr1= 139, 140, 167, 168,
igr2= 144, 145, 144, 145,
&end
#
# 74 ARG HN 112 GLY HN 3.50 (# 1054:10 Unique
3.24, 3.33 A)
&rst
ixpk= 1054, nxpk= 10, iat=1054,1675, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 112 GLY HA+ 112 GLY HN 3.50 (# 1055:10 Unique
2.37, 2.68 A)
&rst
ixpk= 1055, nxpk= 10, iat= -1,1675, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1677,1678,
&end
#
# 75 ILE HA 112 GLY HN 4.50 (# 1056:10 Unique
3.42, 3.50 A)
&rst
ixpk= 1056, nxpk= 10, iat=1080,1675, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 112 GLY HA- 112 GLY HN 3.50 (# 1057:10 Unique
2.37, 2.68 A)
&rst
ixpk= 1057, nxpk= 10, iat= -1,1675, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1677,1678,
&end
#
# 0 AMB 10-2:1058 112 GLY HN 3.50 (# 1058:10 Single
Ambig)
&rst
ixpk= 1058, nxpk= 10, iat= -1,1675, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1=1663,2276,2277,
&end
#
# 0 AMB 10-2:1059 112 GLY HN 4.50 (# 1059:10 Single
Ambig)
&rst
ixpk= 1059, nxpk= 10, iat= -1,1675, r1= 1.30, r2= 1.80, r3= 6.99, r4=
7.49,
igr1=1660,1661,2281,2282,2283,2285,2286,2287,1084,1085,
1086,1623,1624,1625,
&end
#
# 0 AMB 10-2:1060 112 GLY HN 3.50 (# 1060:10 Single
Ambig)
&rst
ixpk= 1060, nxpk= 10, iat= -1,1675, r1= 1.30, r2= 1.80, r3= 4.58, r4=
5.08,
igr1=1110,1111,1112,1692,1693,
&end
#
# 0 AMB 10-2:1061 112 GLY HN 3.50 (# 1061:10 Single
Ambig)
&rst
ixpk= 1061, nxpk= 10, iat= -1,1675, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1=1665,1666,1667,1669,1670,1671, 884, 885, 886, 888,
889, 890,
&end
#
# 13 MET HN 14 GLY HN 3.50 (# 1062:10 Unique
3.07, 3.28 A)
&rst
ixpk= 1062, nxpk= 10, iat= 177, 194, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 13 MET HA 14 GLY HN 3.50 (# 1063:10 Unique
2.56, 2.68 A)
&rst
ixpk= 1063, nxpk= 10, iat= 179, 194, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 14 GLY HA+ 14 GLY HN 2.80 (# 1064:10 Unique
2.27, 2.58 A)
&rst
ixpk= 1064, nxpk= 10, iat= -1, 194, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1= 196, 197,
&end
#
# 14 GLY HA- 14 GLY HN 3.50 (# 1065:10 Unique
2.27, 2.58 A)
&rst
ixpk= 1065, nxpk= 10, iat= -1, 194, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 196, 197,
&end
#
# 145 ASN HB+ 145 ASN HD2- 3.50 (# 1067:10 Unique
2.18, 3.18 A)
&rst
ixpk= 1067, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=2201,2202,
igr2=2206,2207,
&end
#
# 145 ASN HB- 145 ASN HD2- 3.50 (# 1068:10 Unique
2.18, 3.18 A)
&rst
ixpk= 1068, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=2201,2202,
igr2=2206,2207,
&end
#
# 75 ILE QG2 145 ASN HD2- 4.50 (# 1069:10 Unique
2.06, 4.59 A)
&rst
ixpk= 1069, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1084,1085,1086,
igr2=2206,2207,
&end
#
# 145 ASN HB+ 145 ASN HD2+ 3.50 (# 1071:10 Unique
2.18, 3.18 A)
&rst
ixpk= 1071, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=2201,2202,
igr2=2206,2207,
&end
#
# 145 ASN HB- 145 ASN HD2+ 3.50 (# 1072:10 Unique
2.18, 3.18 A)
&rst
ixpk= 1072, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=2201,2202,
igr2=2206,2207,
&end
#
# 75 ILE QG2 145 ASN HD2+ 3.50 (# 1073:10 Unique
2.06, 4.59 A)
&rst
ixpk= 1073, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1=1084,1085,1086,
igr2=2206,2207,
&end
#
# 118 VAL HA 119 GLY HN 2.80 (# 1074:10 Unique
2.11, 2.17 A)
&rst
ixpk= 1074, nxpk= 10, iat=1765,1779, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 119 GLY HA+ 119 GLY HN 3.50 (# 1075:10 Unique
2.73, 2.82 A)
&rst
ixpk= 1075, nxpk= 10, iat= -1,1779, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1781,1782,
&end
#
# 119 GLY HA- 119 GLY HN 3.50 (# 1076:10 Unique
2.73, 2.82 A)
&rst
ixpk= 1076, nxpk= 10, iat= -1,1779, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1781,1782,
&end
#
# 0 AMB 10-2:1077 119 GLY HN 3.50 (# 1077:10 Single
Ambig)
&rst
ixpk= 1077, nxpk= 10, iat= -1,1779, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1=1769,1770,1771,1773,1774,1775,1754,1755,
&end
#
# 66 MET HN 67 GLY HN 2.80 (# 1078:10 Unique
2.06, 2.09 A)
&rst
ixpk= 1078, nxpk= 10, iat= 942, 959, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 114 GLN HE2- 67 GLY HN 4.50 (# 1079:10 Unique
2.10, 3.12 A)
&rst
ixpk= 1079, nxpk= 10, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1713,1714,
&end
#
# 68 LEU HN 67 GLY HN 3.50 (# 1080:10 Unique
2.87, 2.91 A)
&rst
ixpk= 1080, nxpk= 10, iat= 966, 959, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 65 ASP HA 67 GLY HN 3.50 (# 1081:10 Unique
3.28, 3.40 A)
&rst
ixpk= 1081, nxpk= 10, iat= 932, 959, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 66 MET HA 67 GLY HN 4.50 (# 1082:10 Unique
3.29, 3.31 A)
&rst
ixpk= 1082, nxpk= 10, iat= 944, 959, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 67 GLY HA+ 67 GLY HN 2.80 (# 1083:10 Unique
2.25, 2.52 A)
&rst
ixpk= 1083, nxpk= 10, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1= 961, 962,
&end
#
# 31 LYS HA 32 GLY HN 3.50 (# 1084:10 Unique
2.10, 2.36 A)
&rst
ixpk= 1084, nxpk= 10, iat= 405, 425, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 10-2:1085 32 GLY HN 2.80 (# 1085:10 Single
Ambig)
&rst
ixpk= 1085, nxpk= 10, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 3.66, r4=
4.16,
igr1=2131, 427, 428, 427, 428,
&end
#
# 140 GLU HB+ 32 GLY HN 3.50 (# 1086:10 Unique
1.76, 3.11 A)
&rst
ixpk= 1086, nxpk= 10, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=2133,2134,
&end
#
# 140 GLU HB- 32 GLY HN 3.50 (# 1087:10 Unique
1.76, 3.11 A)
&rst
ixpk= 1087, nxpk= 10, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=2133,2134,
&end
#
# 0 AMB 10-2:1088 32 GLY HN 3.50 (# 1088:10 Single
Ambig)
&rst
ixpk= 1088, nxpk= 10, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 407, 408, 413, 414,
&end
#
# 31 LYS HB- 32 GLY HN 3.50 (# 1089:10 Unique
1.85, 3.03 A)
&rst
ixpk= 1089, nxpk= 10, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 407, 408,
&end
#
# 39 GLY HN 40 GLY HN 3.50 (# 1090:10 Unique
2.22, 2.45 A)
&rst
ixpk= 1090, nxpk= 10, iat= 533, 540, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 10-2:1091 40 GLY HN 3.50 (# 1091:10 Single
Ambig)
&rst
ixpk= 1091, nxpk= 10, iat= -1, 540, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 114, 523,
&end
#
# 39 GLY HA- 40 GLY HN 3.50 (# 1092:10 Unique
3.01, 3.34 A)
&rst
ixpk= 1092, nxpk= 10, iat= -1, 540, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 535, 536,
&end
#
# 40 GLY HA+ 40 GLY HN 2.80 (# 1093:10 Unique
2.26, 2.55 A)
&rst
ixpk= 1093, nxpk= 10, iat= -1, 540, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1= 542, 543,
&end
#
# 40 GLY HA- 40 GLY HN 3.50 (# 1094:10 Unique
2.26, 2.55 A)
&rst
ixpk= 1094, nxpk= 10, iat= -1, 540, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 542, 543,
&end
#
# 145 ASN HN 146 GLY HN 3.50 (# 1095:10 Unique
1.95, 2.30 A)
&rst
ixpk= 1095, nxpk= 10, iat=2197,2211, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 145 ASN HA 146 GLY HN 3.50 (# 1096:10 Unique
3.08, 3.37 A)
&rst
ixpk= 1096, nxpk= 10, iat=2199,2211, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 10-2:1097 146 GLY HN 4.50 (# 1097:10 Single
Ambig)
&rst
ixpk= 1097, nxpk= 10, iat= -1,2211, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=2192,2193,2192,2193,
&end
#
# 146 GLY HA+ 146 GLY HN 2.80 (# 1098:10 Unique
2.23, 2.57 A)
&rst
ixpk= 1098, nxpk= 10, iat= -1,2211, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1=2213,2214,
&end
#
# 146 GLY HA- 146 GLY HN 2.80 (# 1099:10 Unique
2.23, 2.57 A)
&rst
ixpk= 1099, nxpk= 10, iat= -1,2211, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1=2213,2214,
&end
#
# 16 ASP HN 17 GLY HN 3.50 (# 1100:10 Unique
2.72, 2.80 A)
&rst
ixpk= 1100, nxpk= 10, iat= 213, 225, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 18 ALA HN 17 GLY HN 3.50 (# 1101:10 Unique
2.84, 3.11 A)
&rst
ixpk= 1101, nxpk= 10, iat= 232, 225, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 16 ASP HA 17 GLY HN 3.50 (# 1102:10 Unique
3.33, 3.43 A)
&rst
ixpk= 1102, nxpk= 10, iat= 215, 225, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 10-2:1103 17 GLY HN 2.80 (# 1103:10 Single
Ambig)
&rst
ixpk= 1103, nxpk= 10, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1= 227, 228, 227, 228,
&end
#
# 124 MET ME 17 GLY HN 3.50 (# 1104:10 Unique
2.92, 3.95 A)
&rst
ixpk= 1104, nxpk= 10, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1=1873,1874,1875,
&end
#
# 148 PHE HN 147 GLY HN 3.50 (# 1105:10 Unique
1.79, 2.86 A)
&rst
ixpk= 1105, nxpk= 10, iat=2225,2218, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 147 GLY HA+ 147 GLY HN 2.80 (# 1106:10 Unique
2.27, 2.60 A)
&rst
ixpk= 1106, nxpk= 10, iat= -1,2218, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1=2220,2221,
&end
#
# 147 GLY HA- 147 GLY HN 2.80 (# 1107:10 Unique
2.27, 2.60 A)
&rst
ixpk= 1107, nxpk= 10, iat= -1,2218, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1=2220,2221,
&end
#
# 146 GLY HA+ 147 GLY HN 3.50 (# 1108:10 Unique
2.78, 3.21 A)
&rst
ixpk= 1108, nxpk= 10, iat= -1,2218, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=2213,2214,
&end
#
# 146 GLY HA- 147 GLY HN 4.50 (# 1109:10 Unique
2.78, 3.21 A)
&rst
ixpk= 1109, nxpk= 10, iat= -1,2218, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=2213,2214,
&end
#
# 59 LEU MDY 111 LEU HN 4.50 (# 1110:10 Unique
3.51, 5.70 A)
&rst
ixpk= 1110, nxpk= 10, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1= 849, 850, 851, 853, 854, 855,
&end
#
# 0 AMB 10-2:1111 111 LEU HN 3.50 (# 1111:10 Single
Ambig)
&rst
ixpk= 1111, nxpk= 10, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 5.37, r4=
5.87,
igr1= 884, 885, 886, 888, 889, 890, 872, 873, 874, 847,
1110,1111,1112,
&end
#
# 0 AMB 10-2:1112 111 LEU HN 4.50 (# 1112:10 Single
Ambig)
&rst
ixpk= 1112, nxpk= 10, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1640,1641, 898, 899,
&end
#
# 62 ASP HN 111 LEU HN 5.50 (# 1113:10 Unique
4.08, 4.13 A)
&rst
ixpk= 1113, nxpk= 10, iat= 894,1656, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:1114 147 GLY HN 5.50 (# 1114:10 Single
Ambig)
&rst
ixpk= 1114, nxpk= 10, iat= -1,2218, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=2192,2193,2153,
&end
#
# 75 ILE HN 150 GLN HN 4.50 (# 1115:10 Unique
4.40, 4.49 A)
&rst
ixpk= 1115, nxpk= 10, iat=1078,2255, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 10-2:1116 74 ARG HN 4.50 (# 1116:10 Single
Ambig)
&rst
ixpk= 1116, nxpk= 10, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 6.49, r4=
6.99,
igr1=1665,1666,1667,1669,1670,1671,1688,1689,1690,
&end
#
# 25 LYS HD- 133 GLU HN 5.50 (# 1117:10 Unique
4.46, 4.90 A)
&rst
ixpk= 1117, nxpk= 10, iat= -1,2003, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 336, 337,
&end
#
# 110 PHE HB+ 111 LEU HN 5.50 (# 1118:10 Unique
3.68, 4.07 A)
&rst
ixpk= 1118, nxpk= 10, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1640,1641,
&end
#
# 20 PRO HD- 19 GLY HN 4.50 (# 1119:10 Unique
2.43, 2.82 A)
&rst
ixpk= 1119, nxpk= 10, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 250, 251,
&end
#
# 0 AMB 10-2:1120 19 GLY HN 4.50 (# 1120:10 Single
Ambig)
&rst
ixpk= 1120, nxpk= 10, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 5.88, r4=
6.38,
igr1= 234, 227, 228, 227, 228,
&end
#
# 9 GLY HA+ 19 GLY HN 5.50 (# 1121:10 Unique
2.84, 3.80 A)
&rst
ixpk= 1121, nxpk= 10, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 130, 131,
&end
#
# 18 ALA HN 19 GLY HN 5.50 (# 1122:10 Unique
2.80, 2.92 A)
&rst
ixpk= 1122, nxpk= 10, iat= 232, 242, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 35 VAL HB 5 LEU HN 4.50 (# 1123:10 Unique
3.98, 4.14 A)
&rst
ixpk= 1123, nxpk= 10, iat= 474, 63, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 4 VAL HB 5 LEU HN 5.50 (# 1124:10 Unique
2.66, 3.88 A)
&rst
ixpk= 1124, nxpk= 10, iat= 51, 63, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:1125 5 LEU HN 5.50 (# 1125:10 Single
Ambig)
&rst
ixpk= 1125, nxpk= 10, iat= -1, 63, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 70, 27, 28, 29,
&end
#
# 0 AMB 10-2:1126 5 LEU HN 5.50 (# 1126:10 Single
Ambig)
&rst
ixpk= 1126, nxpk= 10, iat= -1, 63, r1= 1.30, r2= 1.80, r3= 8.43, r4=
8.93,
igr1= 515, 516, 517, 508, 509, 510, 847, 91, 92, 93,
95, 96, 97,
&end
#
# 5 LEU MDX 5 LEU HN 4.50 (# 1127:10 Unique
4.25, 5.37 A)
&rst
ixpk= 1127, nxpk= 10, iat= -1, 63, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1= 72, 73, 74, 76, 77, 78,
&end
#
# 5 LEU MDY 5 LEU HN 5.50 (# 1128:10 Unique
4.25, 5.37 A)
&rst
ixpk= 1128, nxpk= 10, iat= -1, 63, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 72, 73, 74, 76, 77, 78,
&end
#
# 0 AMB 10-2:1129 3 ASP HN 5.50 (# 1129:10 Single
Ambig)
&rst
ixpk= 1129, nxpk= 10, iat= -1, 35, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 476, 477, 478, 480, 481, 482, 53, 54, 55, 57,
58, 59,
&end
#
# 0 AMB 10-2:1130 0 AMB 10-1:1130 5.50 (# 1130:10 Double
Ambig)
&rst
ixpk= 1130, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.54, r4=
9.04,
igr1= 476, 477, 478, 480, 481, 482,1686,
igr2= 35, 906,
&end
#
# 0 AMB 10-2:1131 0 AMB 10-1:1131 5.50 (# 1131:10 Double
Ambig)
&rst
ixpk= 1131, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4=
8.57,
igr1= 25, 130, 131,1719,1720,
igr2= 35, 906,
&end
#
# 34 TRP HA 3 ASP HN 5.50 (# 1132:10 Unique
3.69, 4.02 A)
&rst
ixpk= 1132, nxpk= 10, iat= 448, 35, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 62 ASP HB- 63 ALA HN 5.50 (# 1133:10 Unique
3.18, 3.56 A)
&rst
ixpk= 1133, nxpk= 10, iat= -1, 906, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 898, 899,
&end
#
# 62 ASP HB+ 63 ALA HN 5.50 (# 1134:10 Unique
3.18, 3.56 A)
&rst
ixpk= 1134, nxpk= 10, iat= -1, 906, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 898, 899,
&end
#
# 34 TRP HB+ 5 LEU HN 5.50 (# 1135:10 Unique
3.45, 4.25 A)
&rst
ixpk= 1135, nxpk= 10, iat= -1, 63, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 450, 451,
&end
#
# 15 ASP HB+ 15 ASP HN 3.50 (# 1139:10 Unique
2.11, 2.94 A)
&rst
ixpk= 1139, nxpk= 10, iat= -1, 201, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 205, 206,
&end
#
# 0 AMB 10-2:1140 15 ASP HN 5.50 (# 1140:10 Single
Ambig)
&rst
ixpk= 1140, nxpk= 10, iat= -1, 201, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1767,1866,1867,
&end
#
# 0 AMB 10-2:1141 15 ASP HN 4.50 (# 1141:10 Single
Ambig)
&rst
ixpk= 1141, nxpk= 10, iat= -1, 201, r1= 1.30, r2= 1.80, r3= 6.22, r4=
6.72,
igr1=1725,1726,1873,1874,1875,1722,1723,
&end
#
# 0 AMB 10-2:1142 15 ASP HN 5.50 (# 1142:10 Single
Ambig)
&rst
ixpk= 1142, nxpk= 10, iat= -1, 201, r1= 1.30, r2= 1.80, r3= 7.61, r4=
8.11,
igr1=1866,1867,1885,1886,1887,1934,1935,
&end
#
# 0 AMB 10-2:1143 15 ASP HN 4.50 (# 1143:10 Single
Ambig)
&rst
ixpk= 1143, nxpk= 10, iat= -1, 201, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1=1769,1770,1771,1773,1774,1775,1754,1755,
&end
#
# 118 VAL MGX 15 ASP HN 4.50 (# 1144:10 Unique
2.82, 4.56 A)
&rst
ixpk= 1144, nxpk= 10, iat= -1, 201, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1769,1770,1771,1773,1774,1775,
&end
#
# 116 ASP HN 15 ASP HN 5.50 (# 1145:10 Unique
4.59, 4.79 A)
&rst
ixpk= 1145, nxpk= 10, iat=1732, 201, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 14 GLY HN 15 ASP HN 4.50 (# 1146:10 Unique
4.31, 4.51 A)
&rst
ixpk= 1146, nxpk= 10, iat= 194, 201, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 10-2:1147 15 ASP HN 5.50 (# 1147:10 Single
Ambig)
&rst
ixpk= 1147, nxpk= 10, iat= -1, 201, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1744,1862,
&end
#
# 119 GLY HN 15 ASP HN 5.50 (# 1148:10 Unique
3.73, 4.32 A)
&rst
ixpk= 1148, nxpk= 10, iat=1779, 201, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 5 LEU MDY 59 LEU HN 4.50 (# 1149:10 Unique
3.97, 6.30 A)
&rst
ixpk= 1149, nxpk= 10, iat= -1, 840, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1= 72, 73, 74, 76, 77, 78,
&end
#
# 59 LEU MDY 59 LEU HN 4.50 (# 1150:10 Unique
4.36, 5.39 A)
&rst
ixpk= 1150, nxpk= 10, iat= -1, 840, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1= 849, 850, 851, 853, 854, 855,
&end
#
# 58 LEU HG 59 LEU HN 4.50 (# 1151:10 Unique
2.60, 2.99 A)
&rst
ixpk= 1151, nxpk= 10, iat= 828, 840, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 10-2:1152 59 LEU HN 5.50 (# 1152:10 Single
Ambig)
&rst
ixpk= 1152, nxpk= 10, iat= -1, 840, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 869, 870, 804, 805, 804, 805,
&end
#
# 0 AMB 10-2:1153 59 LEU HN 5.50 (# 1153:10 Single
Ambig)
&rst
ixpk= 1153, nxpk= 10, iat= -1, 840, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1621, 801, 802,
&end
#
# 0 AMB 10-2:1154 59 LEU HN 4.50 (# 1154:10 Single
Ambig)
&rst
ixpk= 1154, nxpk= 10, iat= -1, 840, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 825, 826, 801, 802,
&end
#
# 0 AMB 10-2:1157 143 GLU HN 4.50 (# 1157:10 Single
Ambig)
&rst
ixpk= 1157, nxpk= 10, iat= -1,2175, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=2155,2156,2220,2221,
&end
#
# 144 GLY HN 143 GLU HN 5.50 (# 1159:10 Unique
2.22, 3.63 A)
&rst
ixpk= 1159, nxpk= 10, iat=2190,2175, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 5 LEU MDY 37 ILE HN 5.50 (# 1160:10 Unique
2.93, 5.49 A)
&rst
ixpk= 1160, nxpk= 10, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 72, 73, 74, 76, 77, 78,
&end
#
# 5 LEU MDX 37 ILE HN 5.50 (# 1161:10 Unique
2.93, 5.49 A)
&rst
ixpk= 1161, nxpk= 10, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 72, 73, 74, 76, 77, 78,
&end
#
# 36 VAL HB 37 ILE HN 4.50 (# 1162:10 Unique
3.79, 4.14 A)
&rst
ixpk= 1162, nxpk= 10, iat= 490, 502, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 76 ILE HN 110 PHE HN 5.50 (# 1163:10 Unique
3.20, 3.41 A)
&rst
ixpk= 1163, nxpk= 10, iat=1097,1636, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 81 ILE QD1 110 PHE HN 5.50 (# 1165:10 Unique
3.08, 4.67 A)
&rst
ixpk= 1165, nxpk= 10, iat= -1,1636, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1179,1180,1181,
&end
#
# 0 AMB 10-2:1166 114 GLN HN 5.50 (# 1166:10 Single
Ambig)
&rst
ixpk= 1166, nxpk= 10, iat= -1,1701, r1= 1.30, r2= 1.80, r3= 7.19, r4=
7.69,
igr1=1045,1046,1695,1696,1697,
&end
#
# 113 ILE HG1+ 114 GLN HN 4.50 (# 1167:10 Unique
4.36, 4.72 A)
&rst
ixpk= 1167, nxpk= 10, iat= -1,1701, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1692,1693,
&end
#
# 0 AMB 10-2:1168 114 GLN HN 4.50 (# 1168:10 Single
Ambig)
&rst
ixpk= 1168, nxpk= 10, iat= -1,1701, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1= 975, 976, 977, 979, 980, 981, 975, 976, 977, 979,
980, 981,
&end
#
# 0 AMB 10-2:1169 114 GLN HN 5.50 (# 1169:10 Single
Ambig)
&rst
ixpk= 1169, nxpk= 10, iat= -1,1701, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1937,1938,1939,1048,1049,1050,
&end
#
# 113 ILE HB 114 GLN HN 4.50 (# 1170:10 Unique
4.32, 4.35 A)
&rst
ixpk= 1170, nxpk= 10, iat=1686,1701, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 10-2:1171 114 GLN HN 5.50 (# 1171:10 Single
Ambig)
&rst
ixpk= 1171, nxpk= 10, iat= -1,1701, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1692,1693,1061,1062,
&end
#
# 0 AMB 10-2:1172 114 GLN HN 5.50 (# 1172:10 Single
Ambig)
&rst
ixpk= 1172, nxpk= 10, iat= -1,1701, r1= 1.30, r2= 1.80, r3= 7.61, r4=
8.11,
igr1= 970, 971,1981,1982,1983,1058,1059,
&end
#
# 71 GLY HA- 114 GLN HN 5.50 (# 1173:10 Unique
3.96, 4.87 A)
&rst
ixpk= 1173, nxpk= 10, iat= -1,1701, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1015,1016,
&end
#
# 0 AMB 10-2:1174 114 GLN HN 4.50 (# 1174:10 Single
Ambig)
&rst
ixpk= 1174, nxpk= 10, iat= -1,1701, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1719,1720,1009, 920,
&end
#
# 115 PRO HD+ 114 GLN HN 5.50 (# 1175:10 Unique
4.44, 4.79 A)
&rst
ixpk= 1175, nxpk= 10, iat= -1,1701, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1719,1720,
&end
#
# 72 GLU HN 114 GLN HN 3.50 (# 1176:10 Unique
2.89, 2.97 A)
&rst
ixpk= 1176, nxpk= 10, iat=1020,1701, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 73 ILE HA 114 GLN HN 4.50 (# 1177:10 Unique
3.75, 3.86 A)
&rst
ixpk= 1177, nxpk= 10, iat=1037,1701, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 151 LEU HN 152 ALA HN 4.50 (# 1178:10 Unique
4.51, 4.54 A)
&rst
ixpk= 1178, nxpk= 10, iat=2272,2291, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 74 ARG HB- 152 ALA HN 5.50 (# 1180:10 Unique
5.00, 5.84 A)
&rst
ixpk= 1180, nxpk= 10, iat= -1,2291, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1058,1059,
&end
#
# 0 AMB 10-2:1181 152 ALA HN 5.50 (# 1181:10 Single
Ambig)
&rst
ixpk= 1181, nxpk= 10, iat= -1,2291, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1217,1218, 949, 950,2262,2263,
&end
#
# 74 ARG HD+ 152 ALA HN 5.50 (# 1182:10 Unique
4.06, 5.83 A)
&rst
ixpk= 1182, nxpk= 10, iat= -1,2291, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1064,1065,
&end
#
# 31 LYS HB- 34 TRP HE1 5.50 (# 1183:10 Unique
4.50, 5.25 A)
&rst
ixpk= 1183, nxpk= 10, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 407, 408,
&end
#
# 0 AMB 10-2:1184 34 TRP HE1 5.50 (# 1184:10 Single
Ambig)
&rst
ixpk= 1184, nxpk= 10, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 407, 408, 39, 40, 413, 414,
&end
#
# 0 AMB 10-2:1185 34 TRP HE1 5.50 (# 1185:10 Single
Ambig)
&rst
ixpk= 1185, nxpk= 10, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 7.61, r4=
8.11,
igr1=2117,2133,2134,2090,2091,2090,2091,
&end
#
# 34 TRP HB- 34 TRP HE1 5.50 (# 1186:10 Unique
4.57, 4.97 A)
&rst
ixpk= 1186, nxpk= 10, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 450, 451,
&end
#
# 34 TRP HB+ 34 TRP HE1 5.50 (# 1187:10 Unique
4.57, 4.97 A)
&rst
ixpk= 1187, nxpk= 10, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 450, 451,
&end
#
# 0 AMB 10-2:1188 34 TRP HE1 5.50 (# 1188:10 Single
Ambig)
&rst
ixpk= 1188, nxpk= 10, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 7.19, r4=
7.69,
igr1=2146,2147,2146,2147,2153,
&end
#
# 34 TRP HH2 34 TRP HE1 5.50 (# 1189:10 Unique
5.07, 5.09 A)
&rst
ixpk= 1189, nxpk= 10, iat= 461, 456, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:1191 34 TRP HE1 5.50 (# 1191:10 Single
Ambig)
&rst
ixpk= 1191, nxpk= 10, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=2175,2129,
&end
#
# 142 TRP HN 34 TRP HE1 5.50 (# 1192:10 Unique
3.12, 3.54 A)
&rst
ixpk= 1192, nxpk= 10, iat=2151, 456, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 33 ASN HN 34 TRP HE1 5.50 (# 1193:10 Unique
3.68, 4.61 A)
&rst
ixpk= 1193, nxpk= 10, iat= 432, 456, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 59 LEU MDX 0 AMB 10-1:1194 5.50 (# 1194:10 Single
Ambig)
&rst
ixpk= 1194, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 849, 850, 851, 853, 854, 855,
igr2=2161, 82,
&end
#
# 59 LEU MDY 0 AMB 10-1:1195 5.50 (# 1195:10 Single
Ambig)
&rst
ixpk= 1195, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 849, 850, 851, 853, 854, 855,
igr2=2161, 82,
&end
#
# 5 LEU MDX 6 LEU HN 5.50 (# 1196:10 Unique
2.13, 4.53 A)
&rst
ixpk= 1196, nxpk= 10, iat= -1, 82, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 72, 73, 74, 76, 77, 78,
&end
#
# 0 AMB 10-2:1197 142 TRP HE1 5.50 (# 1197:10 Single
Ambig)
&rst
ixpk= 1197, nxpk= 10, iat= -1,2161, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1627,1628, 804, 805,
&end
#
# 0 AMB 10-2:1198 6 LEU HN 4.50 (# 1198:10 Single
Ambig)
&rst
ixpk= 1198, nxpk= 10, iat= -1, 82, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1= 67, 68, 506,
&end
#
# 146 GLY HA+ 142 TRP HE1 5.50 (# 1199:10 Unique
4.16, 4.99 A)
&rst
ixpk= 1199, nxpk= 10, iat= -1,2161, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=2213,2214,
&end
#
# 0 AMB 10-2:1200 0 AMB 10-1:1200 5.50 (# 1200:10 Double
Ambig)
&rst
ixpk= 1200, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2177, 488,
igr2=2161, 82,
&end
#
# 0 AMB 10-2:1201 0 AMB 10-1:1201 4.50 (# 1201:10 Double
Ambig)
&rst
ixpk= 1201, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 878,2175,
igr2= 82,2161,
&end
#
# 146 GLY HN 142 TRP HE1 4.50 (# 1202:10 Unique
3.28, 3.93 A)
&rst
ixpk= 1202, nxpk= 10, iat=2211,2161, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 7 CYS HN 6 LEU HN 5.50 (# 1203:10 Unique
3.94, 4.11 A)
&rst
ixpk= 1203, nxpk= 10, iat= 101, 82, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 59 LEU HN 6 LEU HN 4.50 (# 1204:10 Unique
3.39, 3.56 A)
&rst
ixpk= 1204, nxpk= 10, iat= 840, 82, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 10-2:1205 0 AMB 10-1:1205 4.50 (# 1205:10 Double
Ambig)
&rst
ixpk= 1205, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=2190, 63,
igr2=2161, 82,
&end
#
# 6 LEU HG 6 LEU HN 5.50 (# 1208:10 Unique
4.22, 4.27 A)
&rst
ixpk= 1208, nxpk= 10, iat= 89, 82, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 60 ILE HN 109 ILE HN 4.50 (# 1209:10 Unique
4.02, 4.16 A)
&rst
ixpk= 1209, nxpk= 10, iat= 859,1617, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 5 LEU MDX 36 VAL HN 5.50 (# 1210:10 Unique
4.66, 7.22 A)
&rst
ixpk= 1210, nxpk= 10, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 72, 73, 74, 76, 77, 78,
&end
#
# 0 AMB 10-2:1211 36 VAL HN 5.50 (# 1211:10 Single
Ambig)
&rst
ixpk= 1211, nxpk= 10, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1= 67, 68, 506,
&end
#
# 0 AMB 10-2:1212 36 VAL HN 4.50 (# 1212:10 Single
Ambig)
&rst
ixpk= 1212, nxpk= 10, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1= 474, 393, 394,
&end
#
# 0 AMB 10-2:1213 36 VAL HN 5.50 (# 1213:10 Single
Ambig)
&rst
ixpk= 1213, nxpk= 10, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 450, 451, 352, 353,
&end
#
# 0 AMB 10-2:1214 36 VAL HN 5.50 (# 1214:10 Single
Ambig)
&rst
ixpk= 1214, nxpk= 10, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 450, 451, 352, 353,
&end
#
# 4 VAL HA 36 VAL HN 5.50 (# 1215:10 Unique
4.93, 5.24 A)
&rst
ixpk= 1215, nxpk= 10, iat= 49, 486, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 37 ILE HN 36 VAL HN 5.50 (# 1216:10 Unique
4.49, 4.53 A)
&rst
ixpk= 1216, nxpk= 10, iat= 502, 486, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 35 VAL HN 36 VAL HN 4.50 (# 1217:10 Unique
4.14, 4.48 A)
&rst
ixpk= 1217, nxpk= 10, iat= 470, 486, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 10-2:1218 66 MET HN 4.50 (# 1218:10 Single
Ambig)
&rst
ixpk= 1218, nxpk= 10, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 7.28, r4=
7.78,
igr1= 975, 976, 977, 979, 980, 981, 975, 976, 977, 979,
980, 981,2281,2282,2283,2285,2286,2287,
&end
#
# 64 THR MG2 66 MET HN 5.50 (# 1219:10 Unique
4.84, 5.98 A)
&rst
ixpk= 1219, nxpk= 10, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1= 922, 923, 924,
&end
#
# 0 AMB 10-2:1220 66 MET HN 5.50 (# 1220:10 Single
Ambig)
&rst
ixpk= 1220, nxpk= 10, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1= 973,1061,1062,
&end
#
# 65 ASP HB- 66 MET HN 4.50 (# 1221:10 Unique
4.18, 4.26 A)
&rst
ixpk= 1221, nxpk= 10, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 934, 935,
&end
#
# 65 ASP HB+ 66 MET HN 5.50 (# 1222:10 Unique
4.18, 4.26 A)
&rst
ixpk= 1222, nxpk= 10, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 934, 935,
&end
#
# 0 AMB 10-2:1223 66 MET HN 4.50 (# 1223:10 Single
Ambig)
&rst
ixpk= 1223, nxpk= 10, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1=1719,1720, 920,
&end
#
# 0 AMB 10-2:1224 66 MET HN 3.50 (# 1224:10 Single
Ambig)
&rst
ixpk= 1224, nxpk= 10, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1719,1720, 961, 962,
&end
#
# 114 GLN HA 66 MET HN 5.50 (# 1225:10 Unique
3.40, 3.45 A)
&rst
ixpk= 1225, nxpk= 10, iat=1703, 942, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 114 GLN HE2+ 66 MET HN 4.50 (# 1226:10 Unique
1.95, 2.82 A)
&rst
ixpk= 1226, nxpk= 10, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1713,1714,
&end
#
# 0 AMB 10-2:1227 76 ILE HN 4.50 (# 1227:10 Single
Ambig)
&rst
ixpk= 1227, nxpk= 10, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1082,1621,
&end
#
# 110 PHE HB- 76 ILE HN 4.50 (# 1228:10 Unique
3.17, 4.09 A)
&rst
ixpk= 1228, nxpk= 10, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1640,1641,
&end
#
# 110 PHE HB+ 76 ILE HN 4.50 (# 1229:10 Unique
3.17, 4.09 A)
&rst
ixpk= 1229, nxpk= 10, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1640,1641,
&end
#
# 76 ILE HA 76 ILE HN 3.50 (# 1230:10 Unique
2.97, 2.98 A)
&rst
ixpk= 1230, nxpk= 10, iat=1099,1097, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 34 TRP HB- 35 VAL HN 4.50 (# 1231:10 Unique
2.88, 3.85 A)
&rst
ixpk= 1231, nxpk= 10, iat= -1, 470, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 450, 451,
&end
#
# 2 THR MG2 35 VAL HN 4.50 (# 1232:10 Unique
3.65, 5.15 A)
&rst
ixpk= 1232, nxpk= 10, iat= -1, 470, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1= 27, 28, 29,
&end
#
# 3 ASP HB- 35 VAL HN 4.50 (# 1233:10 Unique
3.61, 4.16 A)
&rst
ixpk= 1233, nxpk= 10, iat= -1, 470, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 39, 40,
&end
#
# 3 ASP HB+ 35 VAL HN 4.50 (# 1234:10 Unique
3.61, 4.16 A)
&rst
ixpk= 1234, nxpk= 10, iat= -1, 470, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 39, 40,
&end
#
# 0 AMB 10-2:1235 35 VAL HN 5.50 (# 1235:10 Single
Ambig)
&rst
ixpk= 1235, nxpk= 10, iat= -1, 470, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 51, 733,
&end
#
# 110 PHE HB- 60 ILE HN 5.50 (# 1236:10 Unique
4.38, 5.12 A)
&rst
ixpk= 1236, nxpk= 10, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1640,1641,
&end
#
# 0 AMB 10-2:1237 60 ILE HN 5.50 (# 1237:10 Single
Ambig)
&rst
ixpk= 1237, nxpk= 10, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1= 86, 87, 116,
&end
#
# 0 AMB 10-2:1238 156 GLU HN 5.50 (# 1238:10 Single
Ambig)
&rst
ixpk= 1238, nxpk= 10, iat= -1,2347, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2354,2355,2354,2355,
&end
#
# 0 AMB 10-2:1239 131 ALA HN 5.50 (# 1239:10 Single
Ambig)
&rst
ixpk= 1239, nxpk= 10, iat= -1,1977, r1= 1.30, r2= 1.80, r3= 7.19, r4=
7.69,
igr1=1695,1696,1697,1045,1046,
&end
#
# 113 ILE QG2 131 ALA HN 5.50 (# 1240:10 Unique
4.70, 5.31 A)
&rst
ixpk= 1240, nxpk= 10, iat= -1,1977, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1688,1689,1690,
&end
#
# 132 VAL MGX 131 ALA HN 5.50 (# 1241:10 Unique
4.54, 6.39 A)
&rst
ixpk= 1241, nxpk= 10, iat= -1,1977, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1993,1994,1995,1997,1998,1999,
&end
#
# 0 AMB 10-2:1243 131 ALA HN 5.50 (# 1243:10 Single
Ambig)
&rst
ixpk= 1243, nxpk= 10, iat= -1,1977, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1947,1948,1045,1046,
&end
#
# 129 LYS HB+ 131 ALA HN 5.50 (# 1244:10 Unique
4.84, 5.15 A)
&rst
ixpk= 1244, nxpk= 10, iat= -1,1977, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1947,1948,
&end
#
# 0 AMB 10-2:1245 131 ALA HN 4.50 (# 1245:10 Single
Ambig)
&rst
ixpk= 1245, nxpk= 10, iat= -1,1977, r1= 1.30, r2= 1.80, r3= 5.88, r4=
6.38,
igr1=2007,2008,1991,1914,1915,
&end
#
# 71 GLY HA- 131 ALA HN 5.50 (# 1246:10 Unique
4.02, 4.14 A)
&rst
ixpk= 1246, nxpk= 10, iat= -1,1977, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1015,1016,
&end
#
# 132 VAL HA 131 ALA HN 5.50 (# 1247:10 Unique
5.39, 5.41 A)
&rst
ixpk= 1247, nxpk= 10, iat=1989,1977, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 127 PRO HA 131 ALA HN 4.50 (# 1248:10 Unique
3.95, 4.12 A)
&rst
ixpk= 1248, nxpk= 10, iat=1920,1977, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 134 THR HB 131 ALA HN 5.50 (# 1249:10 Unique
4.40, 4.55 A)
&rst
ixpk= 1249, nxpk= 10, iat=2022,1977, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 71 GLY HA+ 131 ALA HN 5.50 (# 1250:10 Unique
4.02, 4.14 A)
&rst
ixpk= 1250, nxpk= 10, iat= -1,1977, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1015,1016,
&end
#
# 20 PRO HD- 8 VAL HN 5.50 (# 1251:10 Unique
2.99, 4.03 A)
&rst
ixpk= 1251, nxpk= 10, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 250, 251,
&end
#
# 20 PRO HD+ 8 VAL HN 5.50 (# 1252:10 Unique
2.99, 4.03 A)
&rst
ixpk= 1252, nxpk= 10, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 250, 251,
&end
#
# 19 GLY HA- 8 VAL HN 4.50 (# 1253:10 Unique
1.83, 2.55 A)
&rst
ixpk= 1253, nxpk= 10, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 244, 245,
&end
#
# 61 VAL HA 8 VAL HN 5.50 (# 1254:10 Unique
5.09, 5.18 A)
&rst
ixpk= 1254, nxpk= 10, iat= 880, 112, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:1255 0 AMB 10-1:1255 4.50 (# 1255:10 Double
Ambig)
&rst
ixpk= 1255, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1054,1701,2272,
igr2=1035,2301,
&end
#
# 91 ASN HD2- 92 MET HN 4.50 (# 1256:10 Unique
2.51, 4.05 A)
&rst
ixpk= 1256, nxpk= 10, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1335,1336,
&end
#
# 148 PHE HD 73 ILE HN 5.50 (# 1257:10 Unique
4.55, 6.57 A)
&rst
ixpk= 1257, nxpk= 10, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=2233,2241,
&end
#
# 57 ARG HN 4 VAL HN 4.50 (# 1260:10 Unique
3.70, 3.91 A)
&rst
ixpk= 1260, nxpk= 10, iat= 797, 47, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 59 LEU HN 4 VAL HN 4.50 (# 1261:10 Unique
3.92, 4.11 A)
&rst
ixpk= 1261, nxpk= 10, iat= 840, 47, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 5 LEU HN 4 VAL HN 4.50 (# 1262:10 Unique
4.27, 4.41 A)
&rst
ixpk= 1262, nxpk= 10, iat= 63, 47, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 10-2:1263 4 VAL HN 5.50 (# 1263:10 Single
Ambig)
&rst
ixpk= 1263, nxpk= 10, iat= -1, 47, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 27, 28, 29, 70,
&end
#
# 55 PRO HB+ 4 VAL HN 4.50 (# 1264:10 Unique
3.30, 4.22 A)
&rst
ixpk= 1264, nxpk= 10, iat= -1, 47, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 776, 777,
&end
#
# 74 ARG HA 149 ALA HN 5.50 (# 1265:10 Unique
2.96, 3.41 A)
&rst
ixpk= 1265, nxpk= 10, iat=1056,2245, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 148 PHE HN 149 ALA HN 4.50 (# 1266:10 Unique
4.47, 4.54 A)
&rst
ixpk= 1266, nxpk= 10, iat=2225,2245, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 150 GLN HN 149 ALA HN 5.50 (# 1267:10 Unique
4.50, 4.57 A)
&rst
ixpk= 1267, nxpk= 10, iat=2255,2245, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 75 ILE HN 149 ALA HN 5.50 (# 1268:10 Unique
3.40, 3.96 A)
&rst
ixpk= 1268, nxpk= 10, iat=1078,2245, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 74 ARG HD- 149 ALA HN 5.50 (# 1269:10 Unique
3.15, 4.05 A)
&rst
ixpk= 1269, nxpk= 10, iat= -1,2245, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1064,1065,
&end
#
# 66 MET HN 65 ASP HN 5.50 (# 1270:10 Unique
4.44, 4.49 A)
&rst
ixpk= 1270, nxpk= 10, iat= 942, 930, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:1271 155 GLU HN 5.50 (# 1271:10 Single
Ambig)
&rst
ixpk= 1271, nxpk= 10, iat= -1,2332, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=2307,2308,2309,2311,2312,2313,2307,2308,2309,2311,
2312,2313,
&end
#
# 0 AMB 10-2:1272 126 GLN HN 5.50 (# 1272:10 Single
Ambig)
&rst
ixpk= 1272, nxpk= 10, iat= -1,1893, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1950,1951,1950,1951,1917,1918,
&end
#
# 0 AMB 10-2:1274 126 GLN HN 4.50 (# 1274:10 Single
Ambig)
&rst
ixpk= 1274, nxpk= 10, iat= -1,1893, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1914,1915,1006,1007,1852,1853,
&end
#
# 128 ILE HN 126 GLN HN 5.50 (# 1275:10 Unique
4.39, 4.75 A)
&rst
ixpk= 1275, nxpk= 10, iat=1924,1893, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 126 GLN HE2- 126 GLN HN 5.50 (# 1276:10 Unique
5.01, 5.73 A)
&rst
ixpk= 1276, nxpk= 10, iat= -1,1893, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1905,1906,
&end
#
# 0 AMB 10-2:1277 8 VAL HN 4.50 (# 1277:10 Single
Ambig)
&rst
ixpk= 1277, nxpk= 10, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1= 882, 253, 254,
&end
#
# 62 ASP HB+ 8 VAL HN 5.50 (# 1278:10 Unique
3.50, 4.56 A)
&rst
ixpk= 1278, nxpk= 10, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 898, 899,
&end
#
# 7 CYS HB+ 8 VAL HN 4.50 (# 1279:10 Unique
3.12, 3.67 A)
&rst
ixpk= 1279, nxpk= 10, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 105, 106,
&end
#
# 81 ILE QD1 82 ALA HN 5.50 (# 1280:10 Unique
4.92, 5.71 A)
&rst
ixpk= 1280, nxpk= 10, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1179,1180,1181,
&end
#
# 81 ILE HG1+ 82 ALA HN 4.50 (# 1281:10 Unique
4.22, 4.66 A)
&rst
ixpk= 1281, nxpk= 10, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1176,1177,
&end
#
# 0 AMB 10-2:1282 82 ALA HN 5.50 (# 1282:10 Single
Ambig)
&rst
ixpk= 1282, nxpk= 10, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1199,1200,1364,1365,
&end
#
# 0 AMB 10-2:1283 82 ALA HN 5.50 (# 1283:10 Single
Ambig)
&rst
ixpk= 1283, nxpk= 10, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1202,1203,1199,1200,
&end
#
# 0 AMB 10-2:1284 82 ALA HN 5.50 (# 1284:10 Single
Ambig)
&rst
ixpk= 1284, nxpk= 10, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1364,1365,1217,1218,
&end
#
# 95 ASN HB+ 82 ALA HN 5.50 (# 1286:10 Unique
2.82, 3.66 A)
&rst
ixpk= 1286, nxpk= 10, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1394,1395,
&end
#
# 80 ASP HA 82 ALA HN 5.50 (# 1287:10 Unique
3.74, 4.02 A)
&rst
ixpk= 1287, nxpk= 10, iat=1156,1185, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 85 PHE HD 82 ALA HN 5.50 (# 1288:10 Unique
5.34, 7.15 A)
&rst
ixpk= 1288, nxpk= 10, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1235,1243,
&end
#
# 0 AMB 10-2:1289 25 LYS HN 4.50 (# 1289:10 Single
Ambig)
&rst
ixpk= 1289, nxpk= 10, iat= -1, 326, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 301, 282,
&end
#
# 136 TYR HD 25 LYS HN 5.50 (# 1290:10 Unique
5.00, 6.09 A)
&rst
ixpk= 1290, nxpk= 10, iat= -1, 326, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=2056,2065,
&end
#
# 21 LEU HA 25 LYS HN 5.50 (# 1292:10 Unique
4.30, 4.49 A)
&rst
ixpk= 1292, nxpk= 10, iat= 265, 326, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 24 GLU HA 25 LYS HN 3.50 (# 1293:10 Unique
3.56, 3.57 A)
&rst
ixpk= 1293, nxpk= 10, iat= 313, 326, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 24 GLU HG+ 25 LYS HN 5.50 (# 1294:10 Unique
3.20, 3.81 A)
&rst
ixpk= 1294, nxpk= 10, iat= -1, 326, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 318, 319,
&end
#
# 0 AMB 10-2:1295 25 LYS HN 4.50 (# 1295:10 Single
Ambig)
&rst
ixpk= 1295, nxpk= 10, iat= -1, 326, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1= 339, 340, 339, 340, 286, 287,
&end
#
# 26 CYS HB+ 25 LYS HN 5.50 (# 1297:10 Unique
4.58, 5.54 A)
&rst
ixpk= 1297, nxpk= 10, iat= -1, 326, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 352, 353,
&end
#
# 124 MET HG- 129 LYS HN 4.50 (# 1298:10 Unique
2.69, 3.48 A)
&rst
ixpk= 1298, nxpk= 10, iat= -1,1943, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1869,1870,
&end
#
# 0 AMB 10-2:1299 129 LYS HN 5.50 (# 1299:10 Single
Ambig)
&rst
ixpk= 1299, nxpk= 10, iat= -1,1943, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1900,1901,1900,1901,
&end
#
# 0 AMB 10-2:1300 129 LYS HN 5.50 (# 1300:10 Single
Ambig)
&rst
ixpk= 1300, nxpk= 10, iat= -1,1943, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1881,1967,1864,
&end
#
# 0 AMB 10-2:1301 129 LYS HN 5.50 (# 1301:10 Single
Ambig)
&rst
ixpk= 1301, nxpk= 10, iat= -1,1943, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1920,1883,
&end
#
# 126 GLN HN 129 LYS HN 5.50 (# 1302:10 Unique
4.75, 4.83 A)
&rst
ixpk= 1302, nxpk= 10, iat=1893,1943, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 13 MET HB- 122 TYR HN 5.50 (# 1303:10 Unique
5.86, 6.17 A)
&rst
ixpk= 1303, nxpk= 10, iat= -1,1827, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 181, 182,
&end
#
# 121 TYR HB+ 122 TYR HN 4.50 (# 1304:10 Unique
3.87, 4.32 A)
&rst
ixpk= 1304, nxpk= 10, iat= -1,1827, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1810,1811,
&end
#
# 0 AMB 10-2:1305 122 TYR HN 4.50 (# 1305:10 Single
Ambig)
&rst
ixpk= 1305, nxpk= 10, iat= -1,1827, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1781,1782,1849,1850,
&end
#
# 0 AMB 10-2:1306 122 TYR HN 4.50 (# 1306:10 Single
Ambig)
&rst
ixpk= 1306, nxpk= 10, iat= -1,1827, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1781,1782,1849,1850,
&end
#
# 14 GLY HA- 122 TYR HN 4.50 (# 1307:10 Unique
4.05, 4.48 A)
&rst
ixpk= 1307, nxpk= 10, iat= -1,1827, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 196, 197,
&end
#
# 14 GLY HA+ 122 TYR HN 4.50 (# 1308:10 Unique
4.05, 4.48 A)
&rst
ixpk= 1308, nxpk= 10, iat= -1,1827, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 196, 197,
&end
#
# 13 MET HA 122 TYR HN 4.50 (# 1309:10 Unique
3.43, 3.49 A)
&rst
ixpk= 1309, nxpk= 10, iat= 179,1827, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 119 GLY HN 122 TYR HN 5.50 (# 1310:10 Unique
4.20, 4.41 A)
&rst
ixpk= 1310, nxpk= 10, iat=1779,1827, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 122 TYR HE 122 TYR HN 5.50 (# 1311:10 Unique
4.96, 5.81 A)
&rst
ixpk= 1311, nxpk= 10, iat= -1,1827, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1837,1842,
&end
#
# 121 TYR HD 122 TYR HN 5.50 (# 1312:10 Unique
4.58, 5.50 A)
&rst
ixpk= 1312, nxpk= 10, iat= -1,1827, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1814,1823,
&end
#
# 32 GLY HN 31 LYS HN 5.50 (# 1313:10 Unique
4.04, 4.43 A)
&rst
ixpk= 1313, nxpk= 10, iat= 425, 403, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 34 TRP HD1 31 LYS HN 5.50 (# 1314:10 Unique
4.56, 5.86 A)
&rst
ixpk= 1314, nxpk= 10, iat= 454, 403, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:1315 31 LYS HN 5.50 (# 1315:10 Single
Ambig)
&rst
ixpk= 1315, nxpk= 10, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1= 446,2056,2065,
&end
#
# 0 AMB 10-2:1317 31 LYS HN 5.50 (# 1317:10 Single
Ambig)
&rst
ixpk= 1317, nxpk= 10, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 7.61, r4=
8.11,
igr1= 427, 428, 427, 428,2131, 448, 361,
&end
#
# 0 AMB 10-2:1318 31 LYS HN 5.50 (# 1318:10 Single
Ambig)
&rst
ixpk= 1318, nxpk= 10, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1= 390, 391,2071,
&end
#
# 30 PRO HD- 31 LYS HN 5.50 (# 1319:10 Unique
5.22, 5.50 A)
&rst
ixpk= 1319, nxpk= 10, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 390, 391,
&end
#
# 0 AMB 10-2:1320 31 LYS HN 5.50 (# 1320:10 Single
Ambig)
&rst
ixpk= 1320, nxpk= 10, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 352, 353, 450, 451,
&end
#
# 0 AMB 10-2:1321 31 LYS HN 5.50 (# 1321:10 Single
Ambig)
&rst
ixpk= 1321, nxpk= 10, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 352, 353, 450, 451,
&end
#
# 31 LYS HE- 31 LYS HN 5.50 (# 1322:10 Unique
2.86, 4.78 A)
&rst
ixpk= 1322, nxpk= 10, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 416, 417,
&end
#
# 30 PRO HG+ 31 LYS HN 5.50 (# 1323:10 Unique
4.49, 5.12 A)
&rst
ixpk= 1323, nxpk= 10, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 393, 394,
&end
#
# 31 LYS HG- 31 LYS HN 4.50 (# 1325:10 Unique
1.79, 2.96 A)
&rst
ixpk= 1325, nxpk= 10, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 410, 411,
&end
#
# 139 LEU MDX 31 LYS HN 5.50 (# 1326:10 Unique
3.41, 6.56 A)
&rst
ixpk= 1326, nxpk= 10, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=2119,2120,2121,2123,2124,2125,
&end
#
# 121 TYR HN 120 PHE HN 4.50 (# 1327:10 Unique
3.41, 4.49 A)
&rst
ixpk= 1327, nxpk= 10, iat=1806,1786, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 120 PHE HD 120 PHE HN 5.50 (# 1328:10 Unique
2.16, 3.46 A)
&rst
ixpk= 1328, nxpk= 10, iat= -1,1786, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1794,1802,
&end
#
# 122 TYR HD 120 PHE HN 5.50 (# 1329:10 Unique
3.53, 5.62 A)
&rst
ixpk= 1329, nxpk= 10, iat= -1,1786, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1835,1844,
&end
#
# 122 TYR HE 120 PHE HN 5.50 (# 1330:10 Unique
4.42, 5.91 A)
&rst
ixpk= 1330, nxpk= 10, iat= -1,1786, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1837,1842,
&end
#
# 119 GLY HN 120 PHE HN 5.50 (# 1331:10 Unique
4.08, 4.22 A)
&rst
ixpk= 1331, nxpk= 10, iat=1779,1786, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 76 ILE HN 75 ILE HN 5.50 (# 1332:10 Unique
4.49, 4.51 A)
&rst
ixpk= 1332, nxpk= 10, iat=1097,1078, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:1333 75 ILE HN 5.50 (# 1333:10 Single
Ambig)
&rst
ixpk= 1333, nxpk= 10, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=2245,1675,
&end
#
# 111 LEU MDX 75 ILE HN 5.50 (# 1334:10 Unique
5.12, 6.76 A)
&rst
ixpk= 1334, nxpk= 10, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1665,1666,1667,1669,1670,1671,
&end
#
# 0 AMB 10-2:1335 75 ILE HN 5.50 (# 1335:10 Single
Ambig)
&rst
ixpk= 1335, nxpk= 10, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=1107,1108,2281,2282,2283,2285,2286,2287,
&end
#
# 0 AMB 10-2:1336 75 ILE HN 5.50 (# 1336:10 Single
Ambig)
&rst
ixpk= 1336, nxpk= 10, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=2276,2277,1663,
&end
#
# 74 ARG HG+ 75 ILE HN 4.50 (# 1337:10 Unique
4.90, 5.00 A)
&rst
ixpk= 1337, nxpk= 10, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1061,1062,
&end
#
# 150 GLN HB+ 75 ILE HN 4.50 (# 1338:10 Unique
4.77, 5.20 A)
&rst
ixpk= 1338, nxpk= 10, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=2259,2260,
&end
#
# 150 GLN HG+ 75 ILE HN 5.50 (# 1339:10 Unique
4.01, 4.90 A)
&rst
ixpk= 1339, nxpk= 10, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=2262,2263,
&end
#
# 74 ARG HD+ 75 ILE HN 4.50 (# 1340:10 Unique
3.68, 3.85 A)
&rst
ixpk= 1340, nxpk= 10, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1064,1065,
&end
#
# 148 PHE HB- 75 ILE HN 5.50 (# 1341:10 Unique
3.51, 4.05 A)
&rst
ixpk= 1341, nxpk= 10, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=2229,2230,
&end
#
# 0 AMB 10-2:1342 75 ILE HN 5.50 (# 1342:10 Single
Ambig)
&rst
ixpk= 1342, nxpk= 10, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2229,2230,2201,2202,
&end
#
# 74 ARG HD- 75 ILE HN 4.50 (# 1343:10 Unique
3.68, 3.85 A)
&rst
ixpk= 1343, nxpk= 10, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1064,1065,
&end
#
# 93 PRO HD+ 92 MET HN 4.50 (# 1344:10 Unique
4.36, 4.87 A)
&rst
ixpk= 1344, nxpk= 10, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1358,1359,
&end
#
# 112 GLY HA- 64 THR HN 5.50 (# 1345:10 Unique
3.72, 3.88 A)
&rst
ixpk= 1345, nxpk= 10, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1677,1678,
&end
#
# 113 ILE HB 64 THR HN 4.50 (# 1346:10 Unique
3.79, 3.88 A)
&rst
ixpk= 1346, nxpk= 10, iat=1686, 916, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 10-2:1347 116 ASP HN 3.50 (# 1347:10 Single
Ambig)
&rst
ixpk= 1347, nxpk= 10, iat= -1,1732, r1= 1.30, r2= 1.80, r3= 5.22, r4=
5.72,
igr1=1769,1770,1771,1773,1774,1775,1754,1755,1930,1931,
1932,
&end
#
# 0 AMB 10-2:1348 116 ASP HN 5.50 (# 1348:10 Single
Ambig)
&rst
ixpk= 1348, nxpk= 10, iat= -1,1732, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1757,1758,1759,1688,1689,1690,
&end
#
# 0 AMB 10-2:1349 116 ASP HN 5.50 (# 1349:10 Single
Ambig)
&rst
ixpk= 1349, nxpk= 10, iat= -1,1732, r1= 1.30, r2= 1.80, r3= 7.19, r4=
7.69,
igr1=1754,1755, 910, 911, 912,
&end
#
# 0 AMB 10-2:1350 116 ASP HN 3.50 (# 1350:10 Single
Ambig)
&rst
ixpk= 1350, nxpk= 10, iat= -1,1732, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1725,1726,1006,1007,
&end
#
# 0 AMB 10-2:1351 116 ASP HN 5.50 (# 1351:10 Single
Ambig)
&rst
ixpk= 1351, nxpk= 10, iat= -1,1732, r1= 1.30, r2= 1.80, r3= 7.61, r4=
8.11,
igr1=1928,1708,1709,1705,1706,1705,1706,
&end
#
# 0 AMB 10-2:1352 116 ASP HN 4.50 (# 1352:10 Single
Ambig)
&rst
ixpk= 1352, nxpk= 10, iat= -1,1732, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1006,1007,1914,1915,
&end
#
# 0 AMB 10-2:1353 116 ASP HN 5.50 (# 1353:10 Single
Ambig)
&rst
ixpk= 1353, nxpk= 10, iat= -1,1732, r1= 1.30, r2= 1.80, r3= 7.19, r4=
7.69,
igr1=1009,1719,1720,1911,1912,
&end
#
# 15 ASP HA 116 ASP HN 5.50 (# 1354:10 Unique
5.03, 5.35 A)
&rst
ixpk= 1354, nxpk= 10, iat= 203,1732, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 15 ASP HN 116 ASP HN 5.50 (# 1355:10 Unique
4.59, 4.79 A)
&rst
ixpk= 1355, nxpk= 10, iat= 201,1732, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 120 PHE HN 121 TYR HN 4.50 (# 1356:10 Unique
3.41, 4.49 A)
&rst
ixpk= 1356, nxpk= 10, iat=1786,1806, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 120 PHE HD 121 TYR HN 4.50 (# 1357:10 Unique
3.90, 4.98 A)
&rst
ixpk= 1357, nxpk= 10, iat= -1,1806, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1794,1802,
&end
#
# 121 TYR HD 121 TYR HN 5.50 (# 1358:10 Unique
3.35, 4.55 A)
&rst
ixpk= 1358, nxpk= 10, iat= -1,1806, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1814,1823,
&end
#
# 13 MET HA 121 TYR HN 4.50 (# 1359:10 Unique
2.84, 3.13 A)
&rst
ixpk= 1359, nxpk= 10, iat= 179,1806, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 121 TYR HB+ 121 TYR HN 4.50 (# 1360:10 Unique
3.08, 3.70 A)
&rst
ixpk= 1360, nxpk= 10, iat= -1,1806, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1810,1811,
&end
#
# 120 PHE HB- 121 TYR HN 4.50 (# 1361:10 Unique
2.76, 3.60 A)
&rst
ixpk= 1361, nxpk= 10, iat= -1,1806, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1790,1791,
&end
#
# 120 PHE HB+ 121 TYR HN 4.50 (# 1362:10 Unique
2.76, 3.60 A)
&rst
ixpk= 1362, nxpk= 10, iat= -1,1806, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1790,1791,
&end
#
# 0 AMB 10-2:1363 121 TYR HN 5.50 (# 1363:10 Single
Ambig)
&rst
ixpk= 1363, nxpk= 10, iat= -1,1806, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 167, 168,1831,1832,
&end
#
# 13 MET HB- 121 TYR HN 5.50 (# 1364:10 Unique
4.74, 5.44 A)
&rst
ixpk= 1364, nxpk= 10, iat= -1,1806, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 181, 182,
&end
#
# 12 MET HB- 121 TYR HN 5.50 (# 1365:10 Unique
2.57, 3.93 A)
&rst
ixpk= 1365, nxpk= 10, iat= -1,1806, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 164, 165,
&end
#
# 149 ALA HN 150 GLN HN 4.50 (# 1366:10 Unique
4.50, 4.57 A)
&rst
ixpk= 1366, nxpk= 10, iat=2245,2255, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 151 LEU HN 150 GLN HN 4.50 (# 1367:10 Unique
4.45, 4.50 A)
&rst
ixpk= 1367, nxpk= 10, iat=2272,2255, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 33 ASN HB- 33 ASN HN 3.50 (# 1369:10 Unique
2.86, 3.33 A)
&rst
ixpk= 1369, nxpk= 10, iat= -1, 432, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 436, 437,
&end
#
# 34 TRP HD1 33 ASN HN 4.50 (# 1370:10 Unique
2.32, 4.02 A)
&rst
ixpk= 1370, nxpk= 10, iat= 454, 432, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 13 MET HB+ 12 MET HN 3.50 (# 1371:10 Unique
3.60, 4.16 A)
&rst
ixpk= 1371, nxpk= 10, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 181, 182,
&end
#
# 10 ASN HB+ 12 MET HN 5.50 (# 1372:10 Unique
3.90, 4.49 A)
&rst
ixpk= 1372, nxpk= 10, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 139, 140,
&end
#
# 0 AMB 10-2:1373 12 MET HN 5.50 (# 1373:10 Single
Ambig)
&rst
ixpk= 1373, nxpk= 10, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 227, 228, 227, 228,
&end
#
# 11 SER HB- 12 MET HN 4.50 (# 1374:10 Unique
3.16, 3.80 A)
&rst
ixpk= 1374, nxpk= 10, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 153, 154,
&end
#
# 13 MET HA 12 MET HN 5.50 (# 1375:10 Unique
4.41, 4.53 A)
&rst
ixpk= 1375, nxpk= 10, iat= 179, 160, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 10 ASN HD2+ 12 MET HN 5.50 (# 1376:10 Unique
4.16, 4.72 A)
&rst
ixpk= 1376, nxpk= 10, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 144, 145,
&end
#
# 20 PRO HD- 21 LEU HN 5.50 (# 1377:10 Unique
3.27, 3.89 A)
&rst
ixpk= 1377, nxpk= 10, iat= -1, 263, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 250, 251,
&end
#
# 20 PRO HD+ 21 LEU HN 4.50 (# 1378:10 Unique
3.27, 3.89 A)
&rst
ixpk= 1378, nxpk= 10, iat= -1, 263, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 250, 251,
&end
#
# 19 GLY HA+ 22 LEU HN 5.50 (# 1379:10 Unique
3.26, 3.98 A)
&rst
ixpk= 1379, nxpk= 10, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 244, 245,
&end
#
# 139 LEU MDY 138 ARG HN 5.50 (# 1380:10 Unique
3.41, 5.84 A)
&rst
ixpk= 1380, nxpk= 10, iat= -1,2086, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=2119,2120,2121,2123,2124,2125,
&end
#
# 139 LEU MDX 138 ARG HN 5.50 (# 1381:10 Unique
3.41, 5.84 A)
&rst
ixpk= 1381, nxpk= 10, iat= -1,2086, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=2119,2120,2121,2123,2124,2125,
&end
#
# 137 GLN HG- 138 ARG HN 5.50 (# 1382:10 Unique
2.72, 3.21 A)
&rst
ixpk= 1382, nxpk= 10, iat= -1,2086, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=2076,2077,
&end
#
# 137 GLN HG+ 138 ARG HN 5.50 (# 1383:10 Unique
2.72, 3.21 A)
&rst
ixpk= 1383, nxpk= 10, iat= -1,2086, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=2076,2077,
&end
#
# 0 AMB 10-2:1384 138 ARG HN 4.50 (# 1384:10 Single
Ambig)
&rst
ixpk= 1384, nxpk= 10, iat= -1,2086, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=2096,2097,2052,2053,
&end
#
# 138 ARG HD- 138 ARG HN 4.50 (# 1385:10 Unique
3.53, 5.05 A)
&rst
ixpk= 1385, nxpk= 10, iat= -1,2086, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=2096,2097,
&end
#
# 0 AMB 10-2:1386 0 AMB 10-1:1386 4.50 (# 1386:10 Double
Ambig)
&rst
ixpk= 1386, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 425,1116,
igr2=2129,1154,
&end
#
# 141 GLY HN 140 GLU HN 4.50 (# 1387:10 Unique
2.73, 2.88 A)
&rst
ixpk= 1387, nxpk= 10, iat=2144,2129, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 142 TRP HN 140 GLU HN 5.50 (# 1388:10 Unique
4.03, 4.18 A)
&rst
ixpk= 1388, nxpk= 10, iat=2151,2129, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:1389 0 AMB 10-1:1389 5.50 (# 1389:10 Double
Ambig)
&rst
ixpk= 1389, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2071,1168,
igr2=2129,1154,
&end
#
# 0 AMB 10-2:1390 140 GLU HN 4.50 (# 1390:10 Single
Ambig)
&rst
ixpk= 1390, nxpk= 10, iat= -1,2129, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=2146,2147,2146,2147,2050,2153,
&end
#
# 97 LEU HN 99 ASP HN 5.50 (# 1391:10 Unique
3.88, 4.17 A)
&rst
ixpk= 1391, nxpk= 10, iat=1425,1463, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:1392 0 AMB 10-1:1392 5.50 (# 1392:10 Double
Ambig)
&rst
ixpk= 1392, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1322,1412,1421,
igr2=1309,1463,
&end
#
# 95 ASN HA 99 ASP HN 4.50 (# 1393:10 Unique
3.75, 4.17 A)
&rst
ixpk= 1393, nxpk= 10, iat=1392,1463, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 97 LEU HA 99 ASP HN 5.50 (# 1394:10 Unique
4.32, 4.62 A)
&rst
ixpk= 1394, nxpk= 10, iat=1427,1463, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 100 GLN HA 99 ASP HN 5.50 (# 1395:10 Unique
5.41, 5.56 A)
&rst
ixpk= 1395, nxpk= 10, iat=1477,1463, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 90 HIS HB- 90 HIS HN 5.50 (# 1396:10 Unique
2.28, 3.33 A)
&rst
ixpk= 1396, nxpk= 10, iat= -1,1309, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1313,1314,
&end
#
# 0 AMB 10-2:1397 99 ASP HN 4.50 (# 1397:10 Single
Ambig)
&rst
ixpk= 1397, nxpk= 10, iat= -1,1463, r1= 1.30, r2= 1.80, r3= 7.28, r4=
7.78,
igr1=1457,1458,1459,1501,1502,1503,1505,1506,1507,1434,
1435,1436,1438,1439,1440,1172,1173,1174,
&end
#
# 136 TYR HD 138 ARG HN 5.50 (# 1400:10 Unique
5.15, 5.88 A)
&rst
ixpk= 1400, nxpk= 10, iat= -1,2086, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=2056,2065,
&end
#
# 136 TYR HN 138 ARG HN 5.50 (# 1401:10 Unique
3.94, 4.06 A)
&rst
ixpk= 1401, nxpk= 10, iat=2048,2086, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 85 PHE HD 86 MET HN 5.50 (# 1402:10 Unique
4.99, 5.36 A)
&rst
ixpk= 1402, nxpk= 10, iat= -1,1247, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1235,1243,
&end
#
# 85 PHE HB+ 86 MET HN 3.50 (# 1403:10 Unique
2.87, 3.44 A)
&rst
ixpk= 1403, nxpk= 10, iat= -1,1247, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1231,1232,
&end
#
# 139 LEU MDY 140 GLU HN 5.50 (# 1404:10 Unique
4.54, 5.61 A)
&rst
ixpk= 1404, nxpk= 10, iat= -1,2129, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=2119,2120,2121,2123,2124,2125,
&end
#
# 139 LEU MDX 140 GLU HN 4.50 (# 1405:10 Unique
4.54, 5.61 A)
&rst
ixpk= 1405, nxpk= 10, iat= -1,2129, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=2119,2120,2121,2123,2124,2125,
&end
#
# 31 LYS HE+ 140 GLU HN 5.50 (# 1406:10 Unique
3.32, 5.41 A)
&rst
ixpk= 1406, nxpk= 10, iat= -1,2129, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 416, 417,
&end
#
# 99 ASP HB- 101 LEU HN 5.50 (# 1407:10 Unique
4.84, 5.30 A)
&rst
ixpk= 1407, nxpk= 10, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1467,1468,
&end
#
# 97 LEU HA 101 LEU HN 5.50 (# 1408:10 Unique
5.45, 5.58 A)
&rst
ixpk= 1408, nxpk= 10, iat=1427,1492, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 99 ASP HA 101 LEU HN 4.50 (# 1409:10 Unique
3.63, 3.94 A)
&rst
ixpk= 1409, nxpk= 10, iat=1465,1492, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 113 ILE QG2 72 GLU HN 5.50 (# 1410:10 Unique
3.90, 4.69 A)
&rst
ixpk= 1410, nxpk= 10, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1688,1689,1690,
&end
#
# 0 AMB 10-2:1411 72 GLU HN 4.50 (# 1411:10 Single
Ambig)
&rst
ixpk= 1411, nxpk= 10, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1937,1938,1939,1048,1049,1050,
&end
#
# 0 AMB 10-2:1412 72 GLU HN 5.50 (# 1412:10 Single
Ambig)
&rst
ixpk= 1412, nxpk= 10, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 7.19, r4=
7.69,
igr1=1934,1935,1930,1931,1932,
&end
#
# 68 LEU HB- 72 GLU HN 5.50 (# 1413:10 Unique
4.66, 5.25 A)
&rst
ixpk= 1413, nxpk= 10, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 970, 971,
&end
#
# 0 AMB 10-2:1414 72 GLU HN 4.50 (# 1414:10 Single
Ambig)
&rst
ixpk= 1414, nxpk= 10, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 5.88, r4=
6.38,
igr1= 970, 971,1981,1982,1983,
&end
#
# 0 AMB 10-2:1415 72 GLU HN 4.50 (# 1415:10 Single
Ambig)
&rst
ixpk= 1415, nxpk= 10, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 989, 990, 989, 990,
&end
#
# 0 AMB 10-2:1416 72 GLU HN 5.50 (# 1416:10 Single
Ambig)
&rst
ixpk= 1416, nxpk= 10, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1684,1728,
&end
#
# 0 AMB 10-2:1417 72 GLU HN 5.50 (# 1417:10 Single
Ambig)
&rst
ixpk= 1417, nxpk= 10, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1703, 968,
&end
#
# 0 AMB 10-2:1418 53 LEU HN 4.50 (# 1418:10 Single
Ambig)
&rst
ixpk= 1418, nxpk= 10, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1= 773, 774, 752, 753, 752, 753,
&end
#
# 10 ASN HB+ 13 MET HN 4.50 (# 1419:10 Unique
3.26, 4.33 A)
&rst
ixpk= 1419, nxpk= 10, iat= -1, 177, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 139, 140,
&end
#
# 33 ASN HB- 34 TRP HN 4.50 (# 1420:10 Unique
3.87, 4.60 A)
&rst
ixpk= 1420, nxpk= 10, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 436, 437,
&end
#
# 0 AMB 10-2:1422 34 TRP HN 4.50 (# 1422:10 Single
Ambig)
&rst
ixpk= 1422, nxpk= 10, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 407, 408, 39, 40,
&end
#
# 3 ASP HB- 34 TRP HN 5.50 (# 1423:10 Unique
4.10, 5.22 A)
&rst
ixpk= 1423, nxpk= 10, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 39, 40,
&end
#
# 0 AMB 10-2:1424 34 TRP HN 5.50 (# 1424:10 Single
Ambig)
&rst
ixpk= 1424, nxpk= 10, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=2114,2115, 70,
&end
#
# 36 VAL MGY 34 TRP HN 5.50 (# 1425:10 Unique
4.99, 7.01 A)
&rst
ixpk= 1425, nxpk= 10, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 492, 493, 494, 496, 497, 498,
&end
#
# 0 AMB 10-2:1426 34 TRP HN 5.50 (# 1426:10 Single
Ambig)
&rst
ixpk= 1426, nxpk= 10, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1= 67, 68, 476, 477, 478, 480, 481, 482,
&end
#
# 139 LEU MDX 34 TRP HN 5.50 (# 1427:10 Unique
3.47, 6.08 A)
&rst
ixpk= 1427, nxpk= 10, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=2119,2120,2121,2123,2124,2125,
&end
#
# 35 VAL HN 34 TRP HN 4.50 (# 1428:10 Unique
4.25, 4.43 A)
&rst
ixpk= 1428, nxpk= 10, iat= 470, 446, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 32 GLY HN 34 TRP HN 5.50 (# 1429:10 Unique
4.58, 4.87 A)
&rst
ixpk= 1429, nxpk= 10, iat= 425, 446, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 126 GLN HE2- 130 ASP HN 4.50 (# 1430:10 Unique
2.72, 3.54 A)
&rst
ixpk= 1430, nxpk= 10, iat= -1,1965, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1905,1906,
&end
#
# 132 VAL HN 130 ASP HN 5.50 (# 1431:10 Unique
4.19, 4.29 A)
&rst
ixpk= 1431, nxpk= 10, iat=1987,1965, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 128 ILE HN 130 ASP HN 4.50 (# 1432:10 Unique
4.12, 4.25 A)
&rst
ixpk= 1432, nxpk= 10, iat=1924,1965, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 10-2:1433 130 ASP HN 5.50 (# 1433:10 Single
Ambig)
&rst
ixpk= 1433, nxpk= 10, iat= -1,1965, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1900,1901,1900,1901,
&end
#
# 0 AMB 10-2:1434 130 ASP HN 5.50 (# 1434:10 Single
Ambig)
&rst
ixpk= 1434, nxpk= 10, iat= -1,1965, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=2007,2008,1897,1898,1897,1898,
&end
#
# 0 AMB 10-2:1435 130 ASP HN 4.50 (# 1435:10 Single
Ambig)
&rst
ixpk= 1435, nxpk= 10, iat= -1,1965, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=2007,2008,1928,1991,1914,1915,
&end
#
# 93 PRO HA 96 TYR HN 5.50 (# 1436:10 Unique
4.53, 4.84 A)
&rst
ixpk= 1436, nxpk= 10, iat=1367,1404, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 133 GLU HN 136 TYR HN 5.50 (# 1439:10 Unique
4.76, 4.80 A)
&rst
ixpk= 1439, nxpk= 10, iat=2003,2048, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:1440 136 TYR HN 5.50 (# 1440:10 Single
Ambig)
&rst
ixpk= 1440, nxpk= 10, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=2086, 282,
&end
#
# 72 GLU HN 69 ASN HN 5.50 (# 1441:10 Unique
4.08, 4.17 A)
&rst
ixpk= 1441, nxpk= 10, iat=1020, 985, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 69 ASN HD2- 69 ASN HN 5.50 (# 1442:10 Unique
4.37, 5.24 A)
&rst
ixpk= 1442, nxpk= 10, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 994, 995,
&end
#
# 68 LEU HN 69 ASN HN 4.50 (# 1443:10 Unique
3.12, 3.23 A)
&rst
ixpk= 1443, nxpk= 10, iat= 966, 985, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 69 ASN HD2+ 69 ASN HN 5.50 (# 1444:10 Unique
4.37, 5.24 A)
&rst
ixpk= 1444, nxpk= 10, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 994, 995,
&end
#
# 32 GLY HN 33 ASN HN 5.50 (# 1445:10 Unique
2.58, 3.62 A)
&rst
ixpk= 1445, nxpk= 10, iat= 425, 432, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:1446 136 TYR HN 5.50 (# 1446:10 Single
Ambig)
&rst
ixpk= 1446, nxpk= 10, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2073,2074,2010,2011,
&end
#
# 0 AMB 10-2:1447 136 TYR HN 5.50 (# 1447:10 Single
Ambig)
&rst
ixpk= 1447, nxpk= 10, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1= 286, 287, 339, 340, 339, 340,2010,2011,
&end
#
# 135 VAL HA 136 TYR HN 4.50 (# 1448:10 Unique
3.59, 3.62 A)
&rst
ixpk= 1448, nxpk= 10, iat=2034,2048, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 10-2:1449 136 TYR HN 5.50 (# 1449:10 Single
Ambig)
&rst
ixpk= 1449, nxpk= 10, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 284,2071,
&end
#
# 0 AMB 10-2:1450 136 TYR HN 4.50 (# 1450:10 Single
Ambig)
&rst
ixpk= 1450, nxpk= 10, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1=2119,2120,2121,2123,2124,2125, 330, 331,
&end
#
# 49 ALA MB 51 ARG HN 4.50 (# 1451:10 Unique
4.99, 5.55 A)
&rst
ixpk= 1451, nxpk= 10, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1= 662, 663, 664,
&end
#
# 0 AMB 10-2:1452 51 ARG HN 4.50 (# 1452:10 Single
Ambig)
&rst
ixpk= 1452, nxpk= 10, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 715, 716, 715, 716,
&end
#
# 52 GLU HG+ 51 ARG HN 5.50 (# 1453:10 Unique
4.87, 5.53 A)
&rst
ixpk= 1453, nxpk= 10, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 718, 719,
&end
#
# 0 AMB 10-2:1454 51 ARG HN 4.50 (# 1454:10 Single
Ambig)
&rst
ixpk= 1454, nxpk= 10, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 697, 698, 697, 698,
&end
#
# 49 ALA HA 51 ARG HN 4.50 (# 1455:10 Unique
4.49, 4.55 A)
&rst
ixpk= 1455, nxpk= 10, iat= 660, 687, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 70 PRO HD- 69 ASN HN 5.50 (# 1456:10 Unique
4.57, 4.84 A)
&rst
ixpk= 1456, nxpk= 10, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1000,1001,
&end
#
# 0 AMB 10-2:1457 85 PHE HN 5.50 (# 1457:10 Single
Ambig)
&rst
ixpk= 1457, nxpk= 10, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1217,1218, 949, 950,
&end
#
# 0 AMB 10-2:1458 85 PHE HN 5.50 (# 1458:10 Single
Ambig)
&rst
ixpk= 1458, nxpk= 10, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1217,1218,1364,1365,
&end
#
# 0 AMB 10-2:1459 85 PHE HN 4.50 (# 1459:10 Single
Ambig)
&rst
ixpk= 1459, nxpk= 10, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1=1251,1252,1268,1269,1199,1200,1202,1203,
&end
#
# 82 ALA MB 85 PHE HN 5.50 (# 1460:10 Unique
6.07, 6.39 A)
&rst
ixpk= 1460, nxpk= 10, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1189,1190,1191,
&end
#
# 16 ASP HB+ 10 ASN HN 4.50 (# 1461:10 Unique
2.98, 3.96 A)
&rst
ixpk= 1461, nxpk= 10, iat= -1, 135, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 217, 218,
&end
#
# 13 MET HB+ 10 ASN HN 5.50 (# 1462:10 Unique
4.22, 4.66 A)
&rst
ixpk= 1462, nxpk= 10, iat= -1, 135, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 181, 182,
&end
#
# 0 AMB 10-2:1463 10 ASN HN 4.50 (# 1463:10 Single
Ambig)
&rst
ixpk= 1463, nxpk= 10, iat= -1, 135, r1= 1.30, r2= 1.80, r3= 5.88, r4=
6.38,
igr1= 181, 182, 188, 189, 190,
&end
#
# 0 AMB 10-2:1464 10 ASN HN 5.50 (# 1464:10 Single
Ambig)
&rst
ixpk= 1464, nxpk= 10, iat= -1, 135, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 118, 119, 120, 122, 123, 124,1769,1770,1771,1773,
1774,1775,
&end
#
# 20 PRO HD+ 10 ASN HN 5.50 (# 1465:10 Unique
3.79, 4.68 A)
&rst
ixpk= 1465, nxpk= 10, iat= -1, 135, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 250, 251,
&end
#
# 0 AMB 10-2:1466 10 ASN HN 4.50 (# 1466:10 Single
Ambig)
&rst
ixpk= 1466, nxpk= 10, iat= -1, 135, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 227, 228, 227, 228,
&end
#
# 26 CYS HA 28 ALA HN 4.50 (# 1467:10 Unique
3.98, 4.26 A)
&rst
ixpk= 1467, nxpk= 10, iat= 350, 369, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 73 ILE HN 72 GLU HN 4.50 (# 1468:10 Unique
4.38, 4.48 A)
&rst
ixpk= 1468, nxpk= 10, iat=1035,1020, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 69 ASN HN 72 GLU HN 5.50 (# 1469:10 Unique
4.08, 4.17 A)
&rst
ixpk= 1469, nxpk= 10, iat= 985,1020, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 9 GLY HN 10 ASN HN 4.50 (# 1471:10 Unique
4.33, 4.35 A)
&rst
ixpk= 1471, nxpk= 10, iat= 128, 135, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 10-2:1472 10 ASN HN 5.50 (# 1472:10 Single
Ambig)
&rst
ixpk= 1472, nxpk= 10, iat= -1, 135, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 225, 160,
&end
#
# 0 AMB 10-2:1477 52 GLU HN 4.50 (# 1477:10 Single
Ambig)
&rst
ixpk= 1477, nxpk= 10, iat= -1, 711, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 670, 644,
&end
#
# 0 AMB 10-2:1478 134 THR HN 4.50 (# 1478:10 Single
Ambig)
&rst
ixpk= 1478, nxpk= 10, iat= -1,2018, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=2010,2011,2073,2074,
&end
#
# 0 AMB 10-2:1479 134 THR HN 4.50 (# 1479:10 Single
Ambig)
&rst
ixpk= 1479, nxpk= 10, iat= -1,2018, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1=2010,2011, 339, 340, 339, 340, 286, 287,
&end
#
# 0 AMB 10-2:1480 134 THR HN 5.50 (# 1480:10 Single
Ambig)
&rst
ixpk= 1480, nxpk= 10, iat= -1,2018, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=2076,2077,1969,1970,1969,1970,
&end
#
# 132 VAL HA 134 THR HN 4.50 (# 1481:10 Unique
3.48, 3.60 A)
&rst
ixpk= 1481, nxpk= 10, iat=1989,2018, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 135 VAL HA 134 THR HN 5.50 (# 1482:10 Unique
4.83, 4.92 A)
&rst
ixpk= 1482, nxpk= 10, iat=2034,2018, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 130 ASP HA 134 THR HN 5.50 (# 1483:10 Unique
4.51, 4.61 A)
&rst
ixpk= 1483, nxpk= 10, iat=1967,2018, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:1484 132 VAL HN 5.50 (# 1484:10 Single
Ambig)
&rst
ixpk= 1484, nxpk= 10, iat= -1,1987, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 339, 340, 339, 340,2010,2011,
&end
#
# 0 AMB 10-2:1485 132 VAL HN 4.50 (# 1485:10 Single
Ambig)
&rst
ixpk= 1485, nxpk= 10, iat= -1,1987, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1=1969,1970,1969,1970,1869,1870,1956,1957,
&end
#
# 128 ILE HA 132 VAL HN 4.50 (# 1486:10 Unique
4.00, 4.12 A)
&rst
ixpk= 1486, nxpk= 10, iat=1926,1987, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 130 ASP HA 132 VAL HN 5.50 (# 1487:10 Unique
4.34, 4.43 A)
&rst
ixpk= 1487, nxpk= 10, iat=1967,1987, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 77 ASP HB+ 79 ASP HN 4.50 (# 1488:10 Unique
3.52, 4.17 A)
&rst
ixpk= 1488, nxpk= 10, iat= -1,1142, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1120,1121,
&end
#
# 78 PRO HD- 79 ASP HN 4.50 (# 1489:10 Unique
3.25, 3.91 A)
&rst
ixpk= 1489, nxpk= 10, iat= -1,1142, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1129,1130,
&end
#
# 80 ASP HA 79 ASP HN 5.50 (# 1490:10 Unique
5.26, 5.31 A)
&rst
ixpk= 1490, nxpk= 10, iat=1156,1142, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 77 ASP HA 79 ASP HN 5.50 (# 1491:10 Unique
4.23, 4.34 A)
&rst
ixpk= 1491, nxpk= 10, iat=1118,1142, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 78 PRO HG- 79 ASP HN 5.50 (# 1492:10 Unique
2.94, 4.12 A)
&rst
ixpk= 1492, nxpk= 10, iat= -1,1142, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1132,1133,
&end
#
# 101 LEU HA 103 GLU HN 4.50 (# 1493:10 Unique
4.08, 4.33 A)
&rst
ixpk= 1493, nxpk= 10, iat=1494,1533, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 99 ASP HA 0 AMB 10-1:1494 5.50 (# 1494:10 Single
Ambig)
&rst
ixpk= 1494, nxpk= 10, iat=1465, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1533,1444,
&end
#
# 0 AMB 10-2:1496 0 AMB 10-1:1496 5.50 (# 1496:10 Double
Ambig)
&rst
ixpk= 1496, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=1467,1468,1467,1468,
igr2=1444,1533,
&end
#
# 0 AMB 10-2:1497 98 ILE HN 5.50 (# 1497:10 Single
Ambig)
&rst
ixpk= 1497, nxpk= 10, iat= -1,1444, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1408,1409,1408,1409,
&end
#
# 0 AMB 10-2:1498 0 AMB 10-1:1498 5.50 (# 1498:10 Double
Ambig)
&rst
ixpk= 1498, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=1552,1553,1640,1641,
igr2=1533,1444,
&end
#
# 97 LEU HA 98 ILE HN 4.50 (# 1499:10 Unique
3.55, 3.60 A)
&rst
ixpk= 1499, nxpk= 10, iat=1427,1444, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 14 GLY HA+ 16 ASP HN 5.50 (# 1500:10 Unique
3.57, 4.14 A)
&rst
ixpk= 1500, nxpk= 10, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 196, 197,
&end
#
# 14 GLY HA- 16 ASP HN 4.50 (# 1501:10 Unique
3.57, 4.14 A)
&rst
ixpk= 1501, nxpk= 10, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 196, 197,
&end
#
# 0 AMB 10-2:1502 16 ASP HN 4.50 (# 1502:10 Single
Ambig)
&rst
ixpk= 1502, nxpk= 10, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 5.88, r4=
6.38,
igr1= 227, 228, 227, 228, 234,
&end
#
# 13 MET HB+ 16 ASP HN 4.50 (# 1503:10 Unique
3.02, 4.50 A)
&rst
ixpk= 1503, nxpk= 10, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 181, 182,
&end
#
# 0 AMB 10-2:1504 16 ASP HN 4.50 (# 1504:10 Single
Ambig)
&rst
ixpk= 1504, nxpk= 10, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 5.88, r4=
6.38,
igr1= 910, 911, 912,1754,1755,
&end
#
# 0 AMB 10-2:1505 16 ASP HN 4.50 (# 1505:10 Single
Ambig)
&rst
ixpk= 1505, nxpk= 10, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 5.88, r4=
6.38,
igr1= 181, 182, 188, 189, 190,
&end
#
# 0 AMB 10-2:1506 16 ASP HN 4.50 (# 1506:10 Single
Ambig)
&rst
ixpk= 1506, nxpk= 10, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 6.49, r4=
6.99,
igr1= 184, 185,1725,1726,1873,1874,1875,1722,1723,
&end
#
# 0 AMB 10-2:1507 139 LEU HN 5.50 (# 1507:10 Single
Ambig)
&rst
ixpk= 1507, nxpk= 10, iat= -1,2110, r1= 1.30, r2= 1.80, r3= 7.19, r4=
7.69,
igr1=2131, 427, 428, 427, 428,
&end
#
# 137 GLN HA 139 LEU HN 5.50 (# 1508:10 Unique
4.01, 4.23 A)
&rst
ixpk= 1508, nxpk= 10, iat=2071,2110, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 135 VAL HA 139 LEU HN 5.50 (# 1509:10 Unique
4.35, 4.76 A)
&rst
ixpk= 1509, nxpk= 10, iat=2034,2110, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:1510 139 LEU HN 5.50 (# 1510:10 Single
Ambig)
&rst
ixpk= 1510, nxpk= 10, iat= -1,2110, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2136,2137,2073,2074,
&end
#
# 0 AMB 10-2:1511 139 LEU HN 4.50 (# 1511:10 Single
Ambig)
&rst
ixpk= 1511, nxpk= 10, iat= -1,2110, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1= 407, 408, 413, 414,2093,2094,
&end
#
# 31 LYS HB- 139 LEU HN 4.50 (# 1512:10 Unique
3.21, 4.64 A)
&rst
ixpk= 1512, nxpk= 10, iat= -1,2110, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 407, 408,
&end
#
# 22 LEU MDY 139 LEU HN 5.50 (# 1513:10 Unique
5.43, 7.07 A)
&rst
ixpk= 1513, nxpk= 10, iat= -1,2110, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 291, 292, 293, 295, 296, 297,
&end
#
# 0 AMB 10-2:1514 139 LEU HN 4.50 (# 1514:10 Single
Ambig)
&rst
ixpk= 1514, nxpk= 10, iat= -1,2110, r1= 1.30, r2= 1.80, r3= 6.99, r4=
7.49,
igr1= 410, 411,2038,2039,2040,2042,2043,2044, 291, 292,
293, 295, 296, 297,
&end
#
# 0 AMB 10-2:1515 0 AMB 10-1:1515 5.50 (# 1515:10 Double
Ambig)
&rst
ixpk= 1515, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4=
9.23,
igr1=1969,1970,1969,1970,
igr2=1905,1906,1905,1906,
&end
#
# 129 LYS HB+ 126 GLN HE2+ 4.50 (# 1516:10 Unique
2.54, 3.73 A)
&rst
ixpk= 1516, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1947,1948,
igr2=1905,1906,
&end
#
# 129 LYS HB- 126 GLN HE2+ 4.50 (# 1517:10 Unique
2.54, 3.73 A)
&rst
ixpk= 1517, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1947,1948,
igr2=1905,1906,
&end
#
# 129 LYS HD+ 126 GLN HE2+ 5.50 (# 1518:10 Unique
2.95, 4.71 A)
&rst
ixpk= 1518, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1953,1954,
igr2=1905,1906,
&end
#
# 129 LYS HD- 126 GLN HE2+ 4.50 (# 1519:10 Unique
2.95, 4.71 A)
&rst
ixpk= 1519, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1953,1954,
igr2=1905,1906,
&end
#
# 0 AMB 10-2:1520 0 AMB 10-1:1520 5.50 (# 1520:10 Double
Ambig)
&rst
ixpk= 1520, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99,
r4=10.49,
igr1=1950,1951,1950,1951,1917,1918,
igr2=1905,1906,1905,1906,1905,1906,
&end
#
# 130 ASP HN 126 GLN HE2+ 5.50 (# 1521:10 Unique
2.72, 3.54 A)
&rst
ixpk= 1521, nxpk= 10, iat=1965, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1905,1906,
&end
#
# 130 ASP HA 126 GLN HE2+ 5.50 (# 1522:10 Unique
3.89, 4.21 A)
&rst
ixpk= 1522, nxpk= 10, iat=1967, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1905,1906,
&end
#
# 126 GLN HA 126 GLN HE2+ 4.50 (# 1523:10 Unique
2.59, 3.33 A)
&rst
ixpk= 1523, nxpk= 10, iat=1895, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1905,1906,
&end
#
# 82 ALA MB 84 MET HN 4.50 (# 1524:10 Unique
4.98, 5.64 A)
&rst
ixpk= 1524, nxpk= 10, iat= -1,1210, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1=1189,1190,1191,
&end
#
# 81 ILE HG1+ 84 MET HN 5.50 (# 1525:10 Unique
5.66, 5.97 A)
&rst
ixpk= 1525, nxpk= 10, iat= -1,1210, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1176,1177,
&end
#
# 81 ILE QG2 84 MET HN 5.50 (# 1526:10 Unique
5.24, 6.06 A)
&rst
ixpk= 1526, nxpk= 10, iat= -1,1210, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1172,1173,1174,
&end
#
# 0 AMB 10-2:1527 134 THR HN 5.50 (# 1527:10 Single
Ambig)
&rst
ixpk= 1527, nxpk= 10, iat= -1,2018, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=1993,1994,1995,1997,1998,1999, 291, 292, 293, 295,
296, 297,
&end
#
# 0 AMB 10-2:1528 134 THR HN 4.50 (# 1528:10 Single
Ambig)
&rst
ixpk= 1528, nxpk= 10, iat= -1,2018, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1=2038,2039,2040,2042,2043,2044,1993,1994,1995,1997,
1998,1999,
&end
#
# 0 AMB 10-2:1529 126 GLN HE2- 5.50 (# 1529:10 Single
Ambig)
&rst
ixpk= 1529, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=1969,1970,1969,1970,
igr2=1905,1906,
&end
#
# 115 PRO HA 117 ILE HN 4.50 (# 1530:10 Unique
3.93, 4.16 A)
&rst
ixpk= 1530, nxpk= 10, iat=1728,1744, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 117 ILE QG2 117 ILE HN 4.50 (# 1531:10 Unique
2.13, 3.41 A)
&rst
ixpk= 1531, nxpk= 10, iat= -1,1744, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1=1750,1751,1752,
&end
#
# 118 VAL MGX 117 ILE HN 4.50 (# 1532:10 Unique
3.59, 6.06 A)
&rst
ixpk= 1532, nxpk= 10, iat= -1,1744, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1769,1770,1771,1773,1774,1775,
&end
#
# 114 GLN HA 114 GLN HE2+ 5.50 (# 1533:10 Unique
3.07, 3.41 A)
&rst
ixpk= 1533, nxpk= 10, iat=1703, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1713,1714,
&end
#
# 115 PRO HD+ 114 GLN HE2+ 4.50 (# 1534:10 Unique
1.95, 3.46 A)
&rst
ixpk= 1534, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1719,1720,
igr2=1713,1714,
&end
#
# 65 ASP HB+ 114 GLN HE2+ 5.50 (# 1535:10 Unique
3.72, 4.63 A)
&rst
ixpk= 1535, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 934, 935,
igr2=1713,1714,
&end
#
# 66 MET HN 114 GLN HE2+ 4.50 (# 1536:10 Unique
1.95, 2.82 A)
&rst
ixpk= 1536, nxpk= 10, iat= 942, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1713,1714,
&end
#
# 142 TRP HN 139 LEU HN 5.50 (# 1540:10 Unique
4.64, 4.91 A)
&rst
ixpk= 1540, nxpk= 10, iat=2151,2110, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 114 GLN HA 114 GLN HE2- 5.50 (# 1542:10 Unique
3.07, 3.41 A)
&rst
ixpk= 1542, nxpk= 10, iat=1703, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1713,1714,
&end
#
# 115 PRO HD+ 114 GLN HE2- 4.50 (# 1543:10 Unique
1.95, 3.46 A)
&rst
ixpk= 1543, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1719,1720,
igr2=1713,1714,
&end
#
# 80 ASP HA 83 GLU HN 4.50 (# 1544:10 Unique
3.46, 3.64 A)
&rst
ixpk= 1544, nxpk= 10, iat=1156,1195, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 81 ILE HN 83 GLU HN 5.50 (# 1545:10 Unique
4.38, 4.44 A)
&rst
ixpk= 1545, nxpk= 10, iat=1166,1195, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 136 TYR HD 26 CYS HN 5.50 (# 1546:10 Unique
3.11, 5.06 A)
&rst
ixpk= 1546, nxpk= 10, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=2056,2065,
&end
#
# 28 ALA HN 26 CYS HN 5.50 (# 1547:10 Unique
4.21, 4.25 A)
&rst
ixpk= 1547, nxpk= 10, iat= 369, 348, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 24 GLU HA 26 CYS HN 5.50 (# 1548:10 Unique
4.55, 4.75 A)
&rst
ixpk= 1548, nxpk= 10, iat= 313, 348, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:1550 26 CYS HN 5.50 (# 1550:10 Single
Ambig)
&rst
ixpk= 1550, nxpk= 10, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1= 286, 287, 396, 397, 339, 340, 339, 340,
&end
#
# 0 AMB 10-2:1551 26 CYS HN 5.50 (# 1551:10 Single
Ambig)
&rst
ixpk= 1551, nxpk= 10, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 315, 316, 315, 316,
&end
#
# 0 AMB 10-2:1552 26 CYS HN 4.50 (# 1552:10 Single
Ambig)
&rst
ixpk= 1552, nxpk= 10, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1= 291, 292, 293, 295, 296, 297, 492, 493, 494, 496,
497, 498,
&end
#
# 0 AMB 10-2:1553 100 GLN HN 5.50 (# 1553:10 Single
Ambig)
&rst
ixpk= 1553, nxpk= 10, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=1501,1502,1503,1505,1506,1507,1434,1435,1436,1438,
1439,1440,
&end
#
# 0 AMB 10-2:1554 100 GLN HN 4.50 (# 1554:10 Single
Ambig)
&rst
ixpk= 1554, nxpk= 10, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 5.88, r4=
6.38,
igr1=1499,1496,1497, 633, 634,
&end
#
# 98 ILE HA 100 GLN HN 5.50 (# 1555:10 Unique
3.74, 4.11 A)
&rst
ixpk= 1555, nxpk= 10, iat=1446,1475, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 96 TYR HA 100 GLN HN 5.50 (# 1556:10 Unique
4.64, 5.12 A)
&rst
ixpk= 1556, nxpk= 10, iat=1406,1475, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:1557 104 ASP HN 5.50 (# 1557:10 Single
Ambig)
&rst
ixpk= 1557, nxpk= 10, iat= -1,1548, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1562,1465,
&end
#
# 101 LEU HA 104 ASP HN 4.50 (# 1558:10 Unique
3.37, 3.88 A)
&rst
ixpk= 1558, nxpk= 10, iat=1494,1548, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 103 GLU HG+ 104 ASP HN 5.50 (# 1559:10 Unique
2.54, 4.05 A)
&rst
ixpk= 1559, nxpk= 10, iat= -1,1548, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1540,1541,
&end
#
# 103 GLU HG- 104 ASP HN 5.50 (# 1560:10 Unique
2.54, 4.05 A)
&rst
ixpk= 1560, nxpk= 10, iat= -1,1548, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1540,1541,
&end
#
# 0 AMB 10-2:1561 104 ASP HN 4.50 (# 1561:10 Single
Ambig)
&rst
ixpk= 1561, nxpk= 10, iat= -1,1548, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1570,1571,1518,1519, 694, 695,
&end
#
# 0 AMB 10-2:1562 104 ASP HN 4.50 (# 1562:10 Single
Ambig)
&rst
ixpk= 1562, nxpk= 10, iat= -1,1548, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1=1564,1518,1519,
&end
#
# 105 ILE HG1+ 104 ASP HN 5.50 (# 1563:10 Unique
3.26, 4.50 A)
&rst
ixpk= 1563, nxpk= 10, iat= -1,1548, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1570,1571,
&end
#
# 0 AMB 10-2:1564 104 ASP HN 4.50 (# 1564:10 Single
Ambig)
&rst
ixpk= 1564, nxpk= 10, iat= -1,1548, r1= 1.30, r2= 1.80, r3= 7.28, r4=
7.78,
igr1=1501,1502,1503,1505,1506,1507,1607,1608,1609,1611,
1612,1613,1607,1608,1609,1611,1612,1613,
&end
#
# 0 AMB 10-2:1565 104 ASP HN 4.50 (# 1565:10 Single
Ambig)
&rst
ixpk= 1565, nxpk= 10, iat= -1,1548, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1=1501,1502,1503,1505,1506,1507,1573,1574,1575,1566,
1567,1568,
&end
#
# 93 PRO HA 95 ASN HN 5.50 (# 1566:10 Unique
3.01, 3.66 A)
&rst
ixpk= 1566, nxpk= 10, iat=1367,1390, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 96 TYR HA 95 ASN HN 5.50 (# 1567:10 Unique
5.22, 5.32 A)
&rst
ixpk= 1567, nxpk= 10, iat=1406,1390, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:1569 95 ASN HN 5.50 (# 1569:10 Single
Ambig)
&rst
ixpk= 1569, nxpk= 10, iat= -1,1390, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1408,1409,1408,1409,
&end
#
# 93 PRO HB+ 95 ASN HN 5.50 (# 1570:10 Unique
3.38, 4.62 A)
&rst
ixpk= 1570, nxpk= 10, iat= -1,1390, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1364,1365,
&end
#
# 0 AMB 10-2:1571 95 ASN HN 4.50 (# 1571:10 Single
Ambig)
&rst
ixpk= 1571, nxpk= 10, iat= -1,1390, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1364,1365,1361,1362,1361,1362,
&end
#
# 94 LEU HB+ 95 ASN HN 4.50 (# 1572:10 Unique
3.43, 3.74 A)
&rst
ixpk= 1572, nxpk= 10, iat= -1,1390, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1375,1376,
&end
#
# 0 AMB 10-2:1573 95 ASN HN 4.50 (# 1573:10 Single
Ambig)
&rst
ixpk= 1573, nxpk= 10, iat= -1,1390, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1375,1376,1176,1177,
&end
#
# 81 ILE QG2 95 ASN HN 4.50 (# 1574:10 Unique
2.06, 3.01 A)
&rst
ixpk= 1574, nxpk= 10, iat= -1,1390, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1=1172,1173,1174,
&end
#
# 143 GLU HN 144 GLY HN 5.50 (# 1575:10 Unique
2.22, 3.63 A)
&rst
ixpk= 1575, nxpk= 10, iat=2175,2190, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 142 TRP HD1 144 GLY HN 5.50 (# 1576:10 Unique
1.98, 3.96 A)
&rst
ixpk= 1576, nxpk= 10, iat=2159,2190, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 145 ASN HN 144 GLY HN 5.50 (# 1577:10 Unique
2.83, 3.85 A)
&rst
ixpk= 1577, nxpk= 10, iat=2197,2190, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 143 GLU HG+ 144 GLY HN 5.50 (# 1578:10 Unique
2.79, 4.64 A)
&rst
ixpk= 1578, nxpk= 10, iat= -1,2190, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=2182,2183,
&end
#
# 143 GLU HB- 144 GLY HN 4.50 (# 1579:10 Unique
3.03, 4.22 A)
&rst
ixpk= 1579, nxpk= 10, iat= -1,2190, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=2179,2180,
&end
#
# 105 ILE QG2 56 THR HN 5.50 (# 1580:10 Unique
4.30, 5.44 A)
&rst
ixpk= 1580, nxpk= 10, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1566,1567,1568,
&end
#
# 0 AMB 10-2:1581 56 THR HN 5.50 (# 1581:10 Single
Ambig)
&rst
ixpk= 1581, nxpk= 10, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1= 53, 54, 55, 57, 58, 59,1570,1571,
&end
#
# 2 THR MG2 56 THR HN 4.50 (# 1582:10 Unique
4.04, 4.98 A)
&rst
ixpk= 1582, nxpk= 10, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1= 27, 28, 29,
&end
#
# 55 PRO HG- 56 THR HN 5.50 (# 1583:10 Unique
4.77, 5.19 A)
&rst
ixpk= 1583, nxpk= 10, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 773, 774,
&end
#
# 0 AMB 10-2:1584 56 THR HN 4.50 (# 1584:10 Single
Ambig)
&rst
ixpk= 1584, nxpk= 10, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 37, 799,
&end
#
# 0 AMB 10-2:1585 39 GLY HN 4.50 (# 1585:10 Single
Ambig)
&rst
ixpk= 1585, nxpk= 10, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 6.49, r4=
6.99,
igr1= 91, 92, 93, 95, 96, 97, 508, 509, 510,
&end
#
# 8 VAL MGY 39 GLY HN 5.50 (# 1586:10 Unique
3.18, 5.27 A)
&rst
ixpk= 1586, nxpk= 10, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 118, 119, 120, 122, 123, 124,
&end
#
# 0 AMB 10-2:1587 39 GLY HN 4.50 (# 1587:10 Single
Ambig)
&rst
ixpk= 1587, nxpk= 10, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 6.49, r4=
6.99,
igr1= 575, 576, 575, 576, 86, 87, 116, 572, 573,
&end
#
# 38 ASP HB- 39 GLY HN 5.50 (# 1588:10 Unique
4.21, 4.42 A)
&rst
ixpk= 1588, nxpk= 10, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 525, 526,
&end
#
# 7 CYS HB- 39 GLY HN 5.50 (# 1589:10 Unique
3.34, 4.21 A)
&rst
ixpk= 1589, nxpk= 10, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 105, 106,
&end
#
# 7 CYS HB+ 39 GLY HN 4.50 (# 1590:10 Unique
3.34, 4.21 A)
&rst
ixpk= 1590, nxpk= 10, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 105, 106,
&end
#
# 38 ASP HB+ 39 GLY HN 5.50 (# 1591:10 Unique
4.21, 4.42 A)
&rst
ixpk= 1591, nxpk= 10, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 525, 526,
&end
#
# 40 GLY HA- 39 GLY HN 5.50 (# 1592:10 Unique
3.98, 4.79 A)
&rst
ixpk= 1592, nxpk= 10, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 542, 543,
&end
#
# 40 GLY HA+ 39 GLY HN 5.50 (# 1593:10 Unique
3.98, 4.79 A)
&rst
ixpk= 1593, nxpk= 10, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 542, 543,
&end
#
# 6 LEU HA 39 GLY HN 5.50 (# 1594:10 Unique
4.01, 4.32 A)
&rst
ixpk= 1594, nxpk= 10, iat= 84, 533, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:1595 141 GLY HN 5.50 (# 1595:10 Single
Ambig)
&rst
ixpk= 1595, nxpk= 10, iat= -1,2144, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2136,2137,2182,2183,
&end
#
# 140 GLU HB+ 141 GLY HN 4.50 (# 1596:10 Unique
3.37, 4.22 A)
&rst
ixpk= 1596, nxpk= 10, iat= -1,2144, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=2133,2134,
&end
#
# 140 GLU HB- 141 GLY HN 4.50 (# 1597:10 Unique
3.37, 4.22 A)
&rst
ixpk= 1597, nxpk= 10, iat= -1,2144, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=2133,2134,
&end
#
# 0 AMB 10-2:1598 51 ARG HE 4.50 (# 1598:10 Single
Ambig)
&rst
ixpk= 1598, nxpk= 10, iat= -1, 700, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 691, 692, 691, 692,
&end
#
# 72 GLU HG- 69 ASN HD2- 5.50 (# 1599:10 Unique
2.32, 5.02 A)
&rst
ixpk= 1599, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1027,1028,
igr2= 994, 995,
&end
#
# 72 GLU HG+ 69 ASN HD2- 5.50 (# 1600:10 Unique
2.32, 5.02 A)
&rst
ixpk= 1600, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1027,1028,
igr2= 994, 995,
&end
#
# 69 ASN HN 69 ASN HD2- 5.50 (# 1601:10 Unique
4.37, 5.24 A)
&rst
ixpk= 1601, nxpk= 10, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 994, 995,
&end
#
# 69 ASN HN 69 ASN HD2+ 5.50 (# 1602:10 Unique
4.37, 5.24 A)
&rst
ixpk= 1602, nxpk= 10, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 994, 995,
&end
#
# 134 THR MG2 138 ARG HE 5.50 (# 1603:10 Unique
2.65, 4.59 A)
&rst
ixpk= 1603, nxpk= 10, iat= -1,2099, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=2024,2025,2026,
&end
#
# 138 ARG HG+ 138 ARG HE 5.50 (# 1604:10 Unique
2.23, 3.02 A)
&rst
ixpk= 1604, nxpk= 10, iat= -1,2099, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=2093,2094,
&end
#
# 138 ARG HG- 138 ARG HE 5.50 (# 1605:10 Unique
2.23, 3.02 A)
&rst
ixpk= 1605, nxpk= 10, iat= -1,2099, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=2093,2094,
&end
#
# 0 AMB 10-2:1606 138 ARG HE 4.50 (# 1606:10 Single
Ambig)
&rst
ixpk= 1606, nxpk= 10, iat= -1,2099, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=2090,2091,2090,2091,
&end
#
# 138 ARG HD+ 138 ARG HE 4.50 (# 1607:10 Unique
2.47, 2.81 A)
&rst
ixpk= 1607, nxpk= 10, iat= -1,2099, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=2096,2097,
&end
#
# 138 ARG HA 138 ARG HE 5.50 (# 1608:10 Unique
3.26, 4.08 A)
&rst
ixpk= 1608, nxpk= 10, iat=2088,2099, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:1609 54 ARG HN 4.50 (# 1609:10 Single
Ambig)
&rst
ixpk= 1609, nxpk= 10, iat= -1, 745, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 755, 756, 755, 756,
&end
#
# 51 ARG HA 54 ARG HN 4.50 (# 1610:10 Unique
3.27, 3.51 A)
&rst
ixpk= 1610, nxpk= 10, iat= 689, 745, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 55 PRO HA 54 ARG HN 5.50 (# 1611:10 Unique
4.92, 5.09 A)
&rst
ixpk= 1611, nxpk= 10, iat= 779, 745, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 52 GLU HN 54 ARG HN 5.50 (# 1612:10 Unique
3.63, 3.76 A)
&rst
ixpk= 1612, nxpk= 10, iat= 711, 745, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 34 TRP HH2 57 ARG HE 5.50 (# 1613:10 Unique
3.19, 5.78 A)
&rst
ixpk= 1613, nxpk= 10, iat= 461, 810, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:1614 57 ARG HE 5.50 (# 1614:10 Single
Ambig)
&rst
ixpk= 1614, nxpk= 10, iat= -1, 810, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 37, 799,
&end
#
# 33 ASN HB+ 33 ASN HD2+ 4.50 (# 1615:10 Unique
2.27, 3.37 A)
&rst
ixpk= 1615, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 436, 437,
igr2= 441, 442,
&end
#
# 97 LEU HA 100 GLN HE2- 5.50 (# 1616:10 Unique
2.10, 3.00 A)
&rst
ixpk= 1616, nxpk= 10, iat=1427, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1487,1488,
&end
#
# 100 GLN HA 100 GLN HE2- 5.50 (# 1617:10 Unique
2.99, 4.56 A)
&rst
ixpk= 1617, nxpk= 10, iat=1477, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1487,1488,
&end
#
# 99 ASP HB- 100 GLN HE2- 5.50 (# 1618:10 Unique
2.19, 4.64 A)
&rst
ixpk= 1618, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1467,1468,
igr2=1487,1488,
&end
#
# 0 AMB 10-2:1619 100 GLN HE2- 5.50 (# 1619:10 Single
Ambig)
&rst
ixpk= 1619, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=1408,1409,1408,1409,
igr2=1487,1488,
&end
#
# 96 TYR HD 100 GLN HE2- 4.50 (# 1620:10 Unique
3.10, 5.64 A)
&rst
ixpk= 1620, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1412,1421,
igr2=1487,1488,
&end
#
# 95 ASN HB- 95 ASN HD2+ 4.50 (# 1621:10 Unique
2.60, 3.62 A)
&rst
ixpk= 1621, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1394,1395,
igr2=1399,1400,
&end
#
# 0 AMB 10-2:1622 0 AMB 10-1:1622 5.50 (# 1622:10 Double
Ambig)
&rst
ixpk= 1622, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=1392,1138,
igr2=1399,1400,1399,1400,
&end
#
# 137 GLN HA 137 GLN HE2+ 5.50 (# 1623:10 Unique
4.08, 5.41 A)
&rst
ixpk= 1623, nxpk= 10, iat=2071, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2081,2082,
&end
#
# 133 GLU HG+ 137 GLN HE2+ 4.50 (# 1624:10 Unique
2.38, 3.49 A)
&rst
ixpk= 1624, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=2010,2011,
igr2=2081,2082,
&end
#
# 0 AMB 10-2:1625 0 AMB 10-1:1625 4.50 (# 1625:10 Double
Ambig)
&rst
ixpk= 1625, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4=
7.64,
igr1=2010,2011,2073,2074,
igr2=2081,2082,2081,2082,
&end
#
# 137 GLN HB- 137 GLN HE2+ 5.50 (# 1626:10 Unique
2.46, 3.74 A)
&rst
ixpk= 1626, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2073,2074,
igr2=2081,2082,
&end
#
# 42 ALA HA 45 ASN HD2+ 5.50 (# 1627:10 Unique
3.98, 5.35 A)
&rst
ixpk= 1627, nxpk= 10, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 606, 607,
&end
#
# 45 ASN HA 45 ASN HD2+ 4.50 (# 1628:10 Unique
3.43, 4.52 A)
&rst
ixpk= 1628, nxpk= 10, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 606, 607,
&end
#
# 45 ASN HN 45 ASN HD2+ 4.50 (# 1629:10 Unique
2.18, 3.45 A)
&rst
ixpk= 1629, nxpk= 10, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 606, 607,
&end
#
# 91 ASN HA 91 ASN HD2- 4.50 (# 1630:10 Unique
3.45, 4.47 A)
&rst
ixpk= 1630, nxpk= 10, iat=1328, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1335,1336,
&end
#
# 0 AMB 10-2:1631 95 ASN HD2- 5.50 (# 1631:10 Single
Ambig)
&rst
ixpk= 1631, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=1135,1136,1361,1362,
igr2=1399,1400,
&end
#
# 95 ASN HB- 95 ASN HD2- 4.50 (# 1632:10 Unique
2.60, 3.62 A)
&rst
ixpk= 1632, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1394,1395,
igr2=1399,1400,
&end
#
# 0 AMB 10-2:1633 95 ASN HD2- 5.50 (# 1633:10 Single
Ambig)
&rst
ixpk= 1633, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1392,1138,
igr2=1399,1400,
&end
#
# 82 ALA MB 95 ASN HD2- 5.50 (# 1634:10 Unique
3.17, 4.56 A)
&rst
ixpk= 1634, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1189,1190,1191,
igr2=1399,1400,
&end
#
# 87 MET HB- 88 THR HN 4.50 (# 1635:10 Unique
2.46, 3.58 A)
&rst
ixpk= 1635, nxpk= 10, iat= -1,1281, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1268,1269,
&end
#
# 87 MET HB+ 88 THR HN 4.50 (# 1636:10 Unique
2.46, 3.58 A)
&rst
ixpk= 1636, nxpk= 10, iat= -1,1281, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1268,1269,
&end
#
# 0 AMB 10-2:1637 88 THR HN 5.50 (# 1637:10 Single
Ambig)
&rst
ixpk= 1637, nxpk= 10, iat= -1,1281, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1271,1272,1251,1252,
&end
#
# 113 ILE QG2 71 GLY HN 4.50 (# 1638:10 Unique
3.37, 4.00 A)
&rst
ixpk= 1638, nxpk= 10, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1=1688,1689,1690,
&end
#
# 128 ILE HG1- 71 GLY HN 4.50 (# 1639:10 Unique
2.56, 3.36 A)
&rst
ixpk= 1639, nxpk= 10, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1934,1935,
&end
#
# 70 PRO HB- 71 GLY HN 4.50 (# 1640:10 Unique
3.07, 3.50 A)
&rst
ixpk= 1640, nxpk= 10, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1006,1007,
&end
#
# 0 AMB 10-2:1641 71 GLY HN 4.50 (# 1641:10 Single
Ambig)
&rst
ixpk= 1641, nxpk= 10, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1917,1918,1027,1028,
&end
#
# 0 AMB 10-2:1642 71 GLY HN 5.50 (# 1642:10 Single
Ambig)
&rst
ixpk= 1642, nxpk= 10, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1728,1684,1883,
&end
#
# 114 GLN HA 71 GLY HN 5.50 (# 1643:10 Unique
4.62, 4.68 A)
&rst
ixpk= 1643, nxpk= 10, iat=1703,1013, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 114 GLN HN 71 GLY HN 5.50 (# 1644:10 Unique
3.67, 3.81 A)
&rst
ixpk= 1644, nxpk= 10, iat=1701,1013, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 127 PRO HB- 71 GLY HN 5.50 (# 1645:10 Unique
3.52, 4.59 A)
&rst
ixpk= 1645, nxpk= 10, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1917,1918,
&end
#
# 128 ILE HG1+ 71 GLY HN 5.50 (# 1646:10 Unique
2.56, 3.36 A)
&rst
ixpk= 1646, nxpk= 10, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1934,1935,
&end
#
# 91 ASN HB+ 91 ASN HD2+ 4.50 (# 1647:10 Unique
2.22, 3.12 A)
&rst
ixpk= 1647, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1330,1331,
igr2=1335,1336,
&end
#
# 91 ASN HA 91 ASN HD2+ 5.50 (# 1648:10 Unique
3.45, 4.47 A)
&rst
ixpk= 1648, nxpk= 10, iat=1328, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1335,1336,
&end
#
# 76 ILE HN 112 GLY HN 4.50 (# 1649:10 Unique
3.63, 3.68 A)
&rst
ixpk= 1649, nxpk= 10, iat=1097,1675, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 113 ILE HN 112 GLY HN 5.50 (# 1650:10 Unique
4.56, 4.58 A)
&rst
ixpk= 1650, nxpk= 10, iat=1682,1675, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 111 LEU HA 112 GLY HN 2.80 (# 1651:10 Unique
2.03, 2.06 A)
&rst
ixpk= 1651, nxpk= 10, iat=1658,1675, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 64 THR HB 112 GLY HN 5.50 (# 1653:10 Unique
4.60, 4.89 A)
&rst
ixpk= 1653, nxpk= 10, iat= 920,1675, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 111 LEU HB+ 112 GLY HN 4.50 (# 1654:10 Unique
4.22, 4.38 A)
&rst
ixpk= 1654, nxpk= 10, iat= -1,1675, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1660,1661,
&end
#
# 66 MET ME 112 GLY HN 5.50 (# 1655:10 Unique
5.46, 6.37 A)
&rst
ixpk= 1655, nxpk= 10, iat= -1,1675, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1= 953, 954, 955,
&end
#
# 76 ILE HG1+ 112 GLY HN 4.50 (# 1656:10 Unique
2.27, 3.05 A)
&rst
ixpk= 1656, nxpk= 10, iat= -1,1675, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1107,1108,
&end
#
# 75 ILE QD1 112 GLY HN 5.50 (# 1657:10 Unique
4.63, 5.55 A)
&rst
ixpk= 1657, nxpk= 10, iat= -1,1675, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1091,1092,1093,
&end
#
# 76 ILE HG1- 112 GLY HN 5.50 (# 1658:10 Unique
2.27, 3.05 A)
&rst
ixpk= 1658, nxpk= 10, iat= -1,1675, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1107,1108,
&end
#
# 73 ILE QG2 112 GLY HN 5.50 (# 1659:10 Unique
4.61, 5.48 A)
&rst
ixpk= 1659, nxpk= 10, iat= -1,1675, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1041,1042,1043,
&end
#
# 20 PRO HD- 9 GLY HN 5.50 (# 1660:10 Unique
2.86, 3.87 A)
&rst
ixpk= 1660, nxpk= 10, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 250, 251,
&end
#
# 40 GLY HA+ 9 GLY HN 4.50 (# 1661:10 Unique
2.11, 3.71 A)
&rst
ixpk= 1661, nxpk= 10, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 542, 543,
&end
#
# 0 AMB 10-2:1662 9 GLY HN 4.50 (# 1662:10 Single
Ambig)
&rst
ixpk= 1662, nxpk= 10, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 250, 251, 569, 570,
&end
#
# 10 ASN HN 9 GLY HN 5.50 (# 1663:10 Unique
4.33, 4.35 A)
&rst
ixpk= 1663, nxpk= 10, iat= 135, 128, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 41 SER HN 9 GLY HN 5.50 (# 1664:10 Unique
2.23, 3.97 A)
&rst
ixpk= 1664, nxpk= 10, iat= 547, 128, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:1665 106 GLY HN 5.50 (# 1665:10 Single
Ambig)
&rst
ixpk= 1665, nxpk= 10, iat= -1,1579, r1= 1.30, r2= 1.80, r3= 7.61, r4=
8.11,
igr1= 801, 802,1590,1591,1605, 825, 826,
&end
#
# 56 THR MG2 106 GLY HN 5.50 (# 1666:10 Unique
4.09, 5.13 A)
&rst
ixpk= 1666, nxpk= 10, iat= -1,1579, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1= 789, 790, 791,
&end
#
# 0 AMB 10-2:1667 106 GLY HN 5.50 (# 1667:10 Single
Ambig)
&rst
ixpk= 1667, nxpk= 10, iat= -1,1579, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=1607,1608,1609,1611,1612,1613,1607,1608,1609,1611,
1612,1613,
&end
#
# 105 ILE HG1+ 106 GLY HN 4.50 (# 1668:10 Unique
4.11, 4.63 A)
&rst
ixpk= 1668, nxpk= 10, iat= -1,1579, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1570,1571,
&end
#
# 75 ILE QD1 150 GLN HE2- 5.50 (# 1669:10 Unique
6.07, 7.58 A)
&rst
ixpk= 1669, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1091,1092,1093,
igr2=2267,2268,
&end
#
# 0 AMB 10-2:1670 150 GLN HE2- 5.50 (# 1670:10 Single
Ambig)
&rst
ixpk= 1670, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4=
9.40,
igr1=1084,1085,1086,2281,2282,2283,2285,2286,2287,
igr2=2267,2268,
&end
#
# 152 ALA MB 150 GLN HE2- 5.50 (# 1671:10 Unique
3.99, 6.27 A)
&rst
ixpk= 1671, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=2295,2296,2297,
igr2=2267,2268,
&end
#
# 75 ILE HB 150 GLN HE2- 5.50 (# 1672:10 Unique
3.20, 4.30 A)
&rst
ixpk= 1672, nxpk= 10, iat=1082, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2267,2268,
&end
#
# 150 GLN HB- 150 GLN HE2- 3.50 (# 1673:10 Unique
2.79, 4.41 A)
&rst
ixpk= 1673, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=2259,2260,
igr2=2267,2268,
&end
#
# 77 ASP HB- 150 GLN HE2- 4.50 (# 1674:10 Unique
2.63, 4.26 A)
&rst
ixpk= 1674, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1120,1121,
igr2=2267,2268,
&end
#
# 76 ILE HA 150 GLN HE2- 5.50 (# 1675:10 Unique
2.12, 2.60 A)
&rst
ixpk= 1675, nxpk= 10, iat=1099, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2267,2268,
&end
#
# 150 GLN HA 150 GLN HE2- 5.50 (# 1676:10 Unique
2.72, 3.59 A)
&rst
ixpk= 1676, nxpk= 10, iat=2257, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2267,2268,
&end
#
# 77 ASP HB+ 150 GLN HE2- 4.50 (# 1677:10 Unique
2.63, 4.26 A)
&rst
ixpk= 1677, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1120,1121,
igr2=2267,2268,
&end
#
# 75 ILE QD1 150 GLN HE2+ 5.50 (# 1678:10 Unique
6.07, 7.58 A)
&rst
ixpk= 1678, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1091,1092,1093,
igr2=2267,2268,
&end
#
# 0 AMB 10-2:1679 0 AMB 10-1:1679 4.50 (# 1679:10 Double
Ambig)
&rst
ixpk= 1679, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4=
8.68,
igr1=1084,1085,1086,2281,2282,2283,2285,2286,2287,
igr2=2267,2268,2267,2268,
&end
#
# 77 ASP HB- 150 GLN HE2+ 4.50 (# 1680:10 Unique
2.63, 4.26 A)
&rst
ixpk= 1680, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1120,1121,
igr2=2267,2268,
&end
#
# 77 ASP HB+ 150 GLN HE2+ 4.50 (# 1681:10 Unique
2.63, 4.26 A)
&rst
ixpk= 1681, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1120,1121,
igr2=2267,2268,
&end
#
# 76 ILE HA 150 GLN HE2+ 5.50 (# 1682:10 Unique
2.12, 2.60 A)
&rst
ixpk= 1682, nxpk= 10, iat=1099, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2267,2268,
&end
#
# 150 GLN HA 150 GLN HE2+ 5.50 (# 1683:10 Unique
2.72, 3.59 A)
&rst
ixpk= 1683, nxpk= 10, iat=2257, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2267,2268,
&end
#
# 41 SER HB- 10 ASN HD2+ 5.50 (# 1684:10 Unique
2.98, 5.23 A)
&rst
ixpk= 1684, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 551, 552,
igr2= 144, 145,
&end
#
# 0 AMB 10-2:1685 0 AMB 10-1:1685 4.50 (# 1685:10 Double
Ambig)
&rst
ixpk= 1685, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 181, 182, 188, 189, 190,
igr2= 144, 145, 144, 145,
&end
#
# 13 MET HB+ 10 ASN HD2+ 4.50 (# 1686:10 Unique
2.44, 3.66 A)
&rst
ixpk= 1686, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 181, 182,
igr2= 144, 145,
&end
#
# 33 ASN HA 33 ASN HD2- 4.50 (# 1687:10 Unique
2.22, 4.09 A)
&rst
ixpk= 1687, nxpk= 10, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 441, 442,
&end
#
# 15 ASP HN 14 GLY HN 4.50 (# 1688:10 Unique
4.31, 4.51 A)
&rst
ixpk= 1688, nxpk= 10, iat= 201, 194, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 121 TYR HN 14 GLY HN 5.50 (# 1689:10 Unique
3.78, 4.12 A)
&rst
ixpk= 1689, nxpk= 10, iat=1806, 194, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 122 TYR HN 14 GLY HN 4.50 (# 1690:10 Unique
2.75, 3.15 A)
&rst
ixpk= 1690, nxpk= 10, iat=1827, 194, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 10-2:1691 14 GLY HN 5.50 (# 1691:10 Single
Ambig)
&rst
ixpk= 1691, nxpk= 10, iat= -1, 194, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1788,1829,
&end
#
# 12 MET HA 14 GLY HN 5.50 (# 1692:10 Unique
3.56, 3.80 A)
&rst
ixpk= 1692, nxpk= 10, iat= 162, 194, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:1693 14 GLY HN 5.50 (# 1693:10 Single
Ambig)
&rst
ixpk= 1693, nxpk= 10, iat= -1, 194, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1858,1765,
&end
#
# 0 AMB 10-2:1694 145 ASN HD2- 5.50 (# 1694:10 Single
Ambig)
&rst
ixpk= 1694, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2255,2197,
igr2=2206,2207,
&end
#
# 0 AMB 10-2:1695 145 ASN HD2- 5.50 (# 1695:10 Single
Ambig)
&rst
ixpk= 1695, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2199,1080,
igr2=2206,2207,
&end
#
# 75 ILE QD1 145 ASN HD2- 5.50 (# 1696:10 Unique
4.48, 5.42 A)
&rst
ixpk= 1696, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1091,1092,1093,
igr2=2206,2207,
&end
#
# 75 ILE HG1+ 145 ASN HD2- 4.50 (# 1697:10 Unique
2.51, 3.44 A)
&rst
ixpk= 1697, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1088,1089,
igr2=2206,2207,
&end
#
# 75 ILE HB 145 ASN HD2- 5.50 (# 1698:10 Unique
2.83, 3.92 A)
&rst
ixpk= 1698, nxpk= 10, iat=1082, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2206,2207,
&end
#
# 0 AMB 10-2:1699 145 ASN HD2- 5.50 (# 1699:10 Single
Ambig)
&rst
ixpk= 1699, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=2259,2260,2259,2260,
igr2=2206,2207,
&end
#
# 150 GLN HG+ 145 ASN HD2- 5.50 (# 1700:10 Unique
3.31, 4.35 A)
&rst
ixpk= 1700, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2262,2263,
igr2=2206,2207,
&end
#
# 0 AMB 10-2:1701 0 AMB 10-1:1701 5.50 (# 1701:10 Double
Ambig)
&rst
ixpk= 1701, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=2255,2197,
igr2=2206,2207,2206,2207,
&end
#
# 147 GLY HN 145 ASN HD2+ 5.50 (# 1702:10 Unique
4.14, 5.63 A)
&rst
ixpk= 1702, nxpk= 10, iat=2218, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2206,2207,
&end
#
# 0 AMB 10-2:1703 0 AMB 10-1:1703 5.50 (# 1703:10 Double
Ambig)
&rst
ixpk= 1703, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=2199,1080,
igr2=2206,2207,2206,2207,
&end
#
# 149 ALA HA 145 ASN HD2+ 5.50 (# 1704:10 Unique
2.82, 4.08 A)
&rst
ixpk= 1704, nxpk= 10, iat=2247, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2206,2207,
&end
#
# 150 GLN HG+ 145 ASN HD2+ 5.50 (# 1705:10 Unique
3.31, 4.35 A)
&rst
ixpk= 1705, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2262,2263,
igr2=2206,2207,
&end
#
# 150 GLN HB+ 145 ASN HD2+ 5.50 (# 1706:10 Unique
2.44, 4.59 A)
&rst
ixpk= 1706, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2259,2260,
igr2=2206,2207,
&end
#
# 75 ILE QD1 145 ASN HD2+ 5.50 (# 1707:10 Unique
4.48, 5.42 A)
&rst
ixpk= 1707, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1091,1092,1093,
igr2=2206,2207,
&end
#
# 75 ILE HG1+ 145 ASN HD2+ 5.50 (# 1708:10 Unique
2.51, 3.44 A)
&rst
ixpk= 1708, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1088,1089,
igr2=2206,2207,
&end
#
# 117 ILE QD1 119 GLY HN 5.50 (# 1709:10 Unique
3.51, 4.63 A)
&rst
ixpk= 1709, nxpk= 10, iat= -1,1779, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1757,1758,1759,
&end
#
# 118 VAL MGX 119 GLY HN 4.50 (# 1710:10 Unique
2.96, 4.29 A)
&rst
ixpk= 1710, nxpk= 10, iat= -1,1779, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1769,1770,1771,1773,1774,1775,
&end
#
# 0 AMB 10-2:1711 119 GLY HN 4.50 (# 1711:10 Single
Ambig)
&rst
ixpk= 1711, nxpk= 10, iat= -1,1779, r1= 1.30, r2= 1.80, r3= 5.88, r4=
6.38,
igr1= 181, 182, 188, 189, 190,
&end
#
# 118 VAL HB 119 GLY HN 4.50 (# 1712:10 Unique
4.20, 4.27 A)
&rst
ixpk= 1712, nxpk= 10, iat=1767,1779, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 13 MET HB+ 119 GLY HN 5.50 (# 1713:10 Unique
3.61, 4.48 A)
&rst
ixpk= 1713, nxpk= 10, iat= -1,1779, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 181, 182,
&end
#
# 122 TYR HB- 119 GLY HN 4.50 (# 1714:10 Unique
2.94, 3.90 A)
&rst
ixpk= 1714, nxpk= 10, iat= -1,1779, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1831,1832,
&end
#
# 122 TYR HB+ 119 GLY HN 5.50 (# 1715:10 Unique
2.94, 3.90 A)
&rst
ixpk= 1715, nxpk= 10, iat= -1,1779, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1831,1832,
&end
#
# 14 GLY HA- 119 GLY HN 5.50 (# 1716:10 Unique
2.89, 3.71 A)
&rst
ixpk= 1716, nxpk= 10, iat= -1,1779, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 196, 197,
&end
#
# 14 GLY HA+ 119 GLY HN 5.50 (# 1717:10 Unique
2.89, 3.71 A)
&rst
ixpk= 1717, nxpk= 10, iat= -1,1779, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 196, 197,
&end
#
# 0 AMB 10-2:1718 119 GLY HN 5.50 (# 1718:10 Single
Ambig)
&rst
ixpk= 1718, nxpk= 10, iat= -1,1779, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1788,1829,
&end
#
# 13 MET HA 119 GLY HN 5.50 (# 1719:10 Unique
2.94, 3.26 A)
&rst
ixpk= 1719, nxpk= 10, iat= 179,1779, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 122 TYR HD 119 GLY HN 5.50 (# 1720:10 Unique
2.94, 4.88 A)
&rst
ixpk= 1720, nxpk= 10, iat= -1,1779, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1835,1844,
&end
#
# 120 PHE HN 119 GLY HN 5.50 (# 1721:10 Unique
4.08, 4.22 A)
&rst
ixpk= 1721, nxpk= 10, iat=1786,1779, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 118 VAL HN 119 GLY HN 4.50 (# 1722:10 Unique
4.07, 4.21 A)
&rst
ixpk= 1722, nxpk= 10, iat=1763,1779, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 15 ASP HN 119 GLY HN 5.50 (# 1723:10 Unique
3.73, 4.32 A)
&rst
ixpk= 1723, nxpk= 10, iat= 201,1779, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 122 TYR HB+ 14 GLY HN 5.50 (# 1724:10 Unique
2.82, 3.64 A)
&rst
ixpk= 1724, nxpk= 10, iat= -1, 194, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1831,1832,
&end
#
# 0 AMB 10-2:1725 14 GLY HN 4.50 (# 1725:10 Single
Ambig)
&rst
ixpk= 1725, nxpk= 10, iat= -1, 194, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1831,1832, 167, 168,
&end
#
# 13 MET HB+ 14 GLY HN 5.50 (# 1726:10 Unique
4.37, 4.55 A)
&rst
ixpk= 1726, nxpk= 10, iat= -1, 194, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 181, 182,
&end
#
# 0 AMB 10-2:1727 14 GLY HN 5.50 (# 1727:10 Single
Ambig)
&rst
ixpk= 1727, nxpk= 10, iat= -1, 194, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1866,1867,1767,
&end
#
# 0 AMB 10-2:1728 14 GLY HN 5.50 (# 1728:10 Single
Ambig)
&rst
ixpk= 1728, nxpk= 10, iat= -1, 194, r1= 1.30, r2= 1.80, r3= 7.19, r4=
7.69,
igr1= 181, 182, 188, 189, 190,
&end
#
# 0 AMB 10-2:1729 67 GLY HN 5.50 (# 1729:10 Single
Ambig)
&rst
ixpk= 1729, nxpk= 10, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 975, 976, 977, 979, 980, 981,2281,2282,2283,2285,
2286,2287,
&end
#
# 68 LEU HG 67 GLY HN 5.50 (# 1730:10 Unique
4.37, 4.50 A)
&rst
ixpk= 1730, nxpk= 10, iat= 973, 959, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 68 LEU HB- 67 GLY HN 5.50 (# 1731:10 Unique
5.12, 5.85 A)
&rst
ixpk= 1731, nxpk= 10, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 970, 971,
&end
#
# 66 MET HB- 67 GLY HN 3.50 (# 1732:10 Unique
3.63, 4.04 A)
&rst
ixpk= 1732, nxpk= 10, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 946, 947,
&end
#
# 0 AMB 10-2:1733 67 GLY HN 4.50 (# 1733:10 Single
Ambig)
&rst
ixpk= 1733, nxpk= 10, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1= 949, 950,1708,1709,1268,1269,1705,1706,1705,1706,
&end
#
# 66 MET HG+ 67 GLY HN 5.50 (# 1734:10 Unique
4.57, 5.05 A)
&rst
ixpk= 1734, nxpk= 10, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 949, 950,
&end
#
# 65 ASP HB- 67 GLY HN 5.50 (# 1735:10 Unique
4.47, 4.62 A)
&rst
ixpk= 1735, nxpk= 10, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 934, 935,
&end
#
# 65 ASP HB+ 67 GLY HN 5.50 (# 1736:10 Unique
4.47, 4.62 A)
&rst
ixpk= 1736, nxpk= 10, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 934, 935,
&end
#
# 0 AMB 10-2:1737 67 GLY HN 5.50 (# 1737:10 Single
Ambig)
&rst
ixpk= 1737, nxpk= 10, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1719,1720, 920,1009,
&end
#
# 0 AMB 10-2:1738 67 GLY HN 5.50 (# 1738:10 Single
Ambig)
&rst
ixpk= 1738, nxpk= 10, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1703, 968,
&end
#
# 0 AMB 10-2:1739 67 GLY HN 5.50 (# 1739:10 Single
Ambig)
&rst
ixpk= 1739, nxpk= 10, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 946, 947,1268,1269,
&end
#
# 31 LYS HG- 32 GLY HN 5.50 (# 1740:10 Unique
4.29, 4.89 A)
&rst
ixpk= 1740, nxpk= 10, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 410, 411,
&end
#
# 0 AMB 10-2:1741 32 GLY HN 4.50 (# 1741:10 Single
Ambig)
&rst
ixpk= 1741, nxpk= 10, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=2114,2115, 410, 411,
&end
#
# 31 LYS HD+ 32 GLY HN 4.50 (# 1742:10 Unique
3.01, 4.36 A)
&rst
ixpk= 1742, nxpk= 10, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 413, 414,
&end
#
# 140 GLU HG- 32 GLY HN 5.50 (# 1743:10 Unique
1.71, 4.22 A)
&rst
ixpk= 1743, nxpk= 10, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=2136,2137,
&end
#
# 39 GLY HA+ 40 GLY HN 4.50 (# 1744:10 Unique
3.01, 3.34 A)
&rst
ixpk= 1744, nxpk= 10, iat= -1, 540, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 535, 536,
&end
#
# 6 LEU MDY 40 GLY HN 5.50 (# 1747:10 Unique
4.37, 6.41 A)
&rst
ixpk= 1747, nxpk= 10, iat= -1, 540, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 91, 92, 93, 95, 96, 97,
&end
#
# 8 VAL MGY 40 GLY HN 5.50 (# 1748:10 Unique
3.82, 5.81 A)
&rst
ixpk= 1748, nxpk= 10, iat= -1, 540, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 118, 119, 120, 122, 123, 124,
&end
#
# 33 ASN HN 32 GLY HN 4.50 (# 1749:10 Unique
2.58, 3.62 A)
&rst
ixpk= 1749, nxpk= 10, iat= 432, 425, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 140 GLU HN 32 GLY HN 5.50 (# 1750:10 Unique
3.43, 3.92 A)
&rst
ixpk= 1750, nxpk= 10, iat=2129, 425, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 34 TRP HD1 32 GLY HN 5.50 (# 1751:10 Unique
4.10, 5.19 A)
&rst
ixpk= 1751, nxpk= 10, iat= 454, 425, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 34 TRP HN 32 GLY HN 5.50 (# 1752:10 Unique
4.58, 4.87 A)
&rst
ixpk= 1752, nxpk= 10, iat= 446, 425, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 114 GLN HE2+ 67 GLY HN 5.50 (# 1753:10 Unique
2.10, 3.12 A)
&rst
ixpk= 1753, nxpk= 10, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1713,1714,
&end
#
# 145 ASN HB- 146 GLY HN 5.50 (# 1759:10 Unique
3.03, 3.82 A)
&rst
ixpk= 1759, nxpk= 10, iat= -1,2211, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=2201,2202,
&end
#
# 145 ASN HB+ 146 GLY HN 5.50 (# 1760:10 Unique
3.03, 3.82 A)
&rst
ixpk= 1760, nxpk= 10, iat= -1,2211, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=2201,2202,
&end
#
# 0 AMB 10-2:1761 146 GLY HN 5.50 (# 1761:10 Single
Ambig)
&rst
ixpk= 1761, nxpk= 10, iat= -1,2211, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2155,2156,2220,2221,
&end
#
# 147 GLY HA+ 146 GLY HN 5.50 (# 1762:10 Unique
4.72, 5.15 A)
&rst
ixpk= 1762, nxpk= 10, iat= -1,2211, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=2220,2221,
&end
#
# 142 TRP HD1 146 GLY HN 5.50 (# 1763:10 Unique
3.06, 3.54 A)
&rst
ixpk= 1763, nxpk= 10, iat=2159,2211, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:1765 146 GLY HN 5.50 (# 1765:10 Single
Ambig)
&rst
ixpk= 1765, nxpk= 10, iat= -1,2211, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=2225,2151,
&end
#
# 148 PHE HD 146 GLY HN 5.50 (# 1766:10 Unique
4.65, 6.91 A)
&rst
ixpk= 1766, nxpk= 10, iat= -1,2211, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=2233,2241,
&end
#
# 144 GLY HN 146 GLY HN 5.50 (# 1767:10 Unique
2.62, 3.88 A)
&rst
ixpk= 1767, nxpk= 10, iat=2190,2211, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 142 TRP HE1 146 GLY HN 4.50 (# 1768:10 Unique
3.28, 3.93 A)
&rst
ixpk= 1768, nxpk= 10, iat=2161,2211, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 10-2:1769 17 GLY HN 4.50 (# 1769:10 Single
Ambig)
&rst
ixpk= 1769, nxpk= 10, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1= 151, 153, 154,
&end
#
# 20 PRO HD+ 17 GLY HN 5.50 (# 1770:10 Unique
5.21, 6.11 A)
&rst
ixpk= 1770, nxpk= 10, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 250, 251,
&end
#
# 0 AMB 10-2:1771 17 GLY HN 4.50 (# 1771:10 Single
Ambig)
&rst
ixpk= 1771, nxpk= 10, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1= 217, 218,1869,1870, 205, 206,
&end
#
# 0 AMB 10-2:1772 17 GLY HN 4.50 (# 1772:10 Single
Ambig)
&rst
ixpk= 1772, nxpk= 10, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 217, 218, 205, 206,
&end
#
# 118 VAL MGX 17 GLY HN 5.50 (# 1773:10 Unique
4.99, 6.63 A)
&rst
ixpk= 1773, nxpk= 10, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1769,1770,1771,1773,1774,1775,
&end
#
# 0 AMB 10-2:1774 17 GLY HN 5.50 (# 1774:10 Single
Ambig)
&rst
ixpk= 1774, nxpk= 10, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 7.93, r4=
8.43,
igr1=1769,1770,1771,1773,1774,1775,1930,1931,1932,
&end
#
# 18 ALA MB 17 GLY HN 5.50 (# 1775:10 Unique
4.61, 5.49 A)
&rst
ixpk= 1775, nxpk= 10, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1= 236, 237, 238,
&end
#
# 0 AMB 10-2:1776 17 GLY HN 5.50 (# 1776:10 Single
Ambig)
&rst
ixpk= 1776, nxpk= 10, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 7.19, r4=
7.69,
igr1= 910, 911, 912, 267, 268,
&end
#
# 105 ILE HG1+ 105 ILE HN 3.50 (# 1777:10 Unique
2.24, 3.01 A)
&rst
ixpk= 1777, nxpk= 10, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1570,1571,
&end
#
# 0 AMB 10-2:1778 147 GLY HN 5.50 (# 1778:10 Single
Ambig)
&rst
ixpk= 1778, nxpk= 10, iat= -1,2218, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2229,2230,2096,2097,
&end
#
# 145 ASN HB- 147 GLY HN 4.50 (# 1779:10 Unique
2.60, 3.38 A)
&rst
ixpk= 1779, nxpk= 10, iat= -1,2218, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=2201,2202,
&end
#
# 145 ASN HB+ 147 GLY HN 4.50 (# 1780:10 Unique
2.60, 3.38 A)
&rst
ixpk= 1780, nxpk= 10, iat= -1,2218, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=2201,2202,
&end
#
# 0 AMB 10-2:1781 147 GLY HN 5.50 (# 1781:10 Single
Ambig)
&rst
ixpk= 1781, nxpk= 10, iat= -1,2218, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2192,2193,2155,2156,
&end
#
# 148 PHE HA 147 GLY HN 5.50 (# 1782:10 Unique
4.44, 5.38 A)
&rst
ixpk= 1782, nxpk= 10, iat=2227,2218, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 145 ASN HA 147 GLY HN 5.50 (# 1783:10 Unique
3.97, 4.47 A)
&rst
ixpk= 1783, nxpk= 10, iat=2199,2218, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 148 PHE HD 147 GLY HN 5.50 (# 1784:10 Unique
3.84, 6.08 A)
&rst
ixpk= 1784, nxpk= 10, iat= -1,2218, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=2233,2241,
&end
#
# 145 ASN HN 147 GLY HN 5.50 (# 1785:10 Unique
2.95, 3.66 A)
&rst
ixpk= 1785, nxpk= 10, iat=2197,2218, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:1786 5 LEU HN 5.50 (# 1786:10 Single
Ambig)
&rst
ixpk= 1786, nxpk= 10, iat= -1, 63, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1= 490, 776, 777,
&end
#
# 34 TRP HB- 5 LEU HN 5.50 (# 1787:10 Unique
3.45, 4.25 A)
&rst
ixpk= 1787, nxpk= 10, iat= -1, 63, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 450, 451,
&end
#
# 0 AMB 10-2:1790 5 LEU HN 5.50 (# 1790:10 Single
Ambig)
&rst
ixpk= 1790, nxpk= 10, iat= -1, 63, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 486, 101,
&end
#
# 0 AMB 10-2:1791 5 LEU HN 5.50 (# 1791:10 Single
Ambig)
&rst
ixpk= 1791, nxpk= 10, iat= -1, 63, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 47, 35,
&end
#
# 6 LEU HN 5 LEU HN 5.50 (# 1792:10 Unique
3.96, 4.24 A)
&rst
ixpk= 1792, nxpk= 10, iat= 82, 63, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 58 LEU HN 59 LEU HN 5.50 (# 1793:10 Unique
4.28, 4.34 A)
&rst
ixpk= 1793, nxpk= 10, iat= 821, 840, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 4 VAL HN 59 LEU HN 5.50 (# 1794:10 Unique
3.92, 4.11 A)
&rst
ixpk= 1794, nxpk= 10, iat= 47, 840, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 6 LEU HN 59 LEU HN 4.50 (# 1795:10 Unique
3.39, 3.56 A)
&rst
ixpk= 1795, nxpk= 10, iat= 82, 840, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 117 ILE QD1 15 ASP HN 5.50 (# 1797:10 Unique
2.10, 3.91 A)
&rst
ixpk= 1797, nxpk= 10, iat= -1, 201, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1757,1758,1759,
&end
#
# 117 ILE HG1+ 15 ASP HN 5.50 (# 1798:10 Unique
2.87, 4.03 A)
&rst
ixpk= 1798, nxpk= 10, iat= -1, 201, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1754,1755,
&end
#
# 59 LEU MDX 59 LEU HN 4.50 (# 1799:10 Unique
4.36, 5.39 A)
&rst
ixpk= 1799, nxpk= 10, iat= -1, 840, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1= 849, 850, 851, 853, 854, 855,
&end
#
# 142 TRP HE1 143 GLU HN 5.50 (# 1800:10 Unique
4.20, 4.73 A)
&rst
ixpk= 1800, nxpk= 10, iat=2161,2175, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 143 GLU HG+ 143 GLU HN 4.50 (# 1801:10 Unique
2.22, 4.15 A)
&rst
ixpk= 1801, nxpk= 10, iat= -1,2175, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=2182,2183,
&end
#
# 0 AMB 10-2:1802 114 GLN HN 5.50 (# 1802:10 Single
Ambig)
&rst
ixpk= 1802, nxpk= 10, iat= -1,1701, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 916,1035,
&end
#
# 71 GLY HN 114 GLN HN 4.50 (# 1803:10 Unique
3.67, 3.81 A)
&rst
ixpk= 1803, nxpk= 10, iat=1013,1701, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 10-2:1804 125 THR HN 5.50 (# 1804:10 Single
Ambig)
&rst
ixpk= 1804, nxpk= 10, iat= -1,1879, r1= 1.30, r2= 1.80, r3= 7.19, r4=
7.69,
igr1=1754,1755,1930,1931,1932,
&end
#
# 0 AMB 10-2:1805 125 THR HN 5.50 (# 1805:10 Single
Ambig)
&rst
ixpk= 1805, nxpk= 10, iat= -1,1879, r1= 1.30, r2= 1.80, r3= 7.19, r4=
7.69,
igr1=1873,1874,1875,1725,1726,
&end
#
# 128 ILE HB 125 THR HN 5.50 (# 1806:10 Unique
3.27, 3.37 A)
&rst
ixpk= 1806, nxpk= 10, iat=1928,1879, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 15 ASP HA 125 THR HN 5.50 (# 1807:10 Unique
3.39, 3.57 A)
&rst
ixpk= 1807, nxpk= 10, iat= 203,1879, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 42 ALA HA 44 GLU HN 4.50 (# 1808:10 Unique
3.42, 3.51 A)
&rst
ixpk= 1808, nxpk= 10, iat= 560, 582, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 43 PRO HA 44 GLU HN 5.50 (# 1809:10 Unique
3.51, 3.54 A)
&rst
ixpk= 1809, nxpk= 10, iat= 578, 582, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 43 PRO HD+ 44 GLU HN 4.50 (# 1810:10 Unique
2.62, 3.43 A)
&rst
ixpk= 1810, nxpk= 10, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 569, 570,
&end
#
# 43 PRO HD- 44 GLU HN 5.50 (# 1811:10 Unique
2.62, 3.43 A)
&rst
ixpk= 1811, nxpk= 10, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 569, 570,
&end
#
# 44 GLU HG+ 44 GLU HN 4.50 (# 1812:10 Unique
1.76, 2.96 A)
&rst
ixpk= 1812, nxpk= 10, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 589, 590,
&end
#
# 44 GLU HG- 44 GLU HN 4.50 (# 1813:10 Unique
1.76, 2.96 A)
&rst
ixpk= 1813, nxpk= 10, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 589, 590,
&end
#
# 42 ALA MB 44 GLU HN 5.50 (# 1814:10 Unique
4.09, 5.05 A)
&rst
ixpk= 1814, nxpk= 10, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1= 562, 563, 564,
&end
#
# 0 AMB 10-2:1815 44 GLU HN 4.50 (# 1815:10 Single
Ambig)
&rst
ixpk= 1815, nxpk= 10, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1=1434,1435,1436,1438,1439,1440,1380,1381,1382,1384,
1385,1386,
&end
#
# 0 AMB 10-2:1817 142 TRP HE1 5.50 (# 1817:10 Single
Ambig)
&rst
ixpk= 1817, nxpk= 10, iat= -1,2161, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 807, 808,2201,2202,
&end
#
# 142 TRP HB- 142 TRP HE1 5.50 (# 1818:10 Unique
4.69, 5.05 A)
&rst
ixpk= 1818, nxpk= 10, iat= -1,2161, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=2155,2156,
&end
#
# 34 TRP HH2 142 TRP HE1 5.50 (# 1820:10 Unique
2.60, 7.04 A)
&rst
ixpk= 1820, nxpk= 10, iat= 461,2161, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 142 TRP HE1 144 GLY HN 5.50 (# 1823:10 Unique
2.82, 3.59 A)
&rst
ixpk= 1823, nxpk= 10, iat=2161,2190, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 34 TRP HN 35 VAL HN 5.50 (# 1825:10 Unique
4.25, 4.43 A)
&rst
ixpk= 1825, nxpk= 10, iat= 446, 470, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 36 VAL HN 35 VAL HN 5.50 (# 1827:10 Unique
4.14, 4.48 A)
&rst
ixpk= 1827, nxpk= 10, iat= 486, 470, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:1828 35 VAL HN 4.50 (# 1828:10 Single
Ambig)
&rst
ixpk= 1828, nxpk= 10, iat= -1, 470, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 35, 47,
&end
#
# 128 ILE QD1 125 THR HN 5.50 (# 1829:10 Unique
3.71, 5.12 A)
&rst
ixpk= 1829, nxpk= 10, iat= -1,1879, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1937,1938,1939,
&end
#
# 0 AMB 10-2:1830 125 THR HN 5.50 (# 1830:10 Single
Ambig)
&rst
ixpk= 1830, nxpk= 10, iat= -1,1879, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1866,1867,1852,1853,
&end
#
# 125 THR HB 125 THR HN 4.50 (# 1831:10 Unique
3.10, 3.50 A)
&rst
ixpk= 1831, nxpk= 10, iat=1883,1879, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 10-2:1832 125 THR HN 5.50 (# 1832:10 Single
Ambig)
&rst
ixpk= 1832, nxpk= 10, iat= -1,1879, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1744,1862,
&end
#
# 34 TRP HN 34 TRP HE1 5.50 (# 1833:10 Unique
4.40, 4.58 A)
&rst
ixpk= 1833, nxpk= 10, iat= 446, 456, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 47 ILE QD1 44 GLU HN 5.50 (# 1834:10 Unique
5.01, 5.79 A)
&rst
ixpk= 1834, nxpk= 10, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1= 636, 637, 638,
&end
#
# 17 GLY HN 15 ASP HN 5.50 (# 1835:10 Unique
4.38, 4.56 A)
&rst
ixpk= 1835, nxpk= 10, iat= 225, 201, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 23 ALA MB 37 ILE HN 5.50 (# 1837:10 Unique
5.30, 6.56 A)
&rst
ixpk= 1837, nxpk= 10, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1= 305, 306, 307,
&end
#
# 116 ASP HB- 71 GLY HN 5.50 (# 1839:10 Unique
4.67, 5.78 A)
&rst
ixpk= 1839, nxpk= 10, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1736,1737,
&end
#
# 72 GLU HG+ 71 GLY HN 5.50 (# 1840:10 Unique
4.86, 5.59 A)
&rst
ixpk= 1840, nxpk= 10, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1027,1028,
&end
#
# 0 AMB 10-2:1841 71 GLY HN 5.50 (# 1841:10 Single
Ambig)
&rst
ixpk= 1841, nxpk= 10, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1= 205, 206, 989, 990, 989, 990,1869,1870,
&end
#
# 58 LEU HN 109 ILE HN 4.50 (# 1842:10 Unique
3.71, 3.84 A)
&rst
ixpk= 1842, nxpk= 10, iat= 821,1617, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 108 VAL HN 109 ILE HN 4.50 (# 1843:10 Unique
4.00, 4.10 A)
&rst
ixpk= 1843, nxpk= 10, iat=1601,1617, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 143 GLU HG- 144 GLY HN 5.50 (# 1844:10 Unique
2.79, 4.64 A)
&rst
ixpk= 1844, nxpk= 10, iat= -1,2190, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=2182,2183,
&end
#
# 0 AMB 10-2:1845 5 LEU HN 5.50 (# 1845:10 Single
Ambig)
&rst
ixpk= 1845, nxpk= 10, iat= -1, 63, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 472, 504,
&end
#
# 35 VAL MGY 36 VAL HN 3.50 (# 1846:10 Unique
3.09, 4.47 A)
&rst
ixpk= 1846, nxpk= 10, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 476, 477, 478, 480, 481, 482,
&end
#
# 35 VAL MGY 35 VAL HN 3.50 (# 1847:10 Unique
1.99, 3.77 A)
&rst
ixpk= 1847, nxpk= 10, iat= -1, 470, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 476, 477, 478, 480, 481, 482,
&end
#
# 0 AMB 10-2:1848 111 LEU HN 5.50 (# 1848:10 Single
Ambig)
&rst
ixpk= 1848, nxpk= 10, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 8.07, r4=
8.57,
igr1= 869, 870,1107,1108,2038,2039,2040,2042,2043,2044,
&end
#
# 75 ILE QD1 111 LEU HN 5.50 (# 1849:10 Unique
5.12, 5.84 A)
&rst
ixpk= 1849, nxpk= 10, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1091,1092,1093,
&end
#
# 59 LEU HA 111 LEU HN 5.50 (# 1850:10 Unique
5.50, 5.56 A)
&rst
ixpk= 1850, nxpk= 10, iat= 842,1656, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 115 PRO HA 15 ASP HN 5.50 (# 1851:10 Unique
5.45, 5.52 A)
&rst
ixpk= 1851, nxpk= 10, iat=1728, 201, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 111 LEU HG 111 LEU HN 4.50 (# 1853:10 Unique
4.54, 4.56 A)
&rst
ixpk= 1853, nxpk= 10, iat=1663,1656, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 10-2:1854 111 LEU HN 5.50 (# 1854:10 Single
Ambig)
&rst
ixpk= 1854, nxpk= 10, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1636,1617,
&end
#
# 65 ASP HN 66 MET HN 5.50 (# 1855:10 Unique
4.44, 4.49 A)
&rst
ixpk= 1855, nxpk= 10, iat= 930, 942, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:1856 59 LEU HN 4.50 (# 1856:10 Single
Ambig)
&rst
ixpk= 1856, nxpk= 10, iat= -1, 840, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1= 53, 54, 55, 57, 58, 59, 86, 87,
&end
#
# 74 ARG HD+ 149 ALA HN 5.50 (# 1857:10 Unique
3.15, 4.05 A)
&rst
ixpk= 1857, nxpk= 10, iat= -1,2245, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1064,1065,
&end
#
# 75 ILE QD1 149 ALA HN 5.50 (# 1858:10 Unique
4.80, 5.85 A)
&rst
ixpk= 1858, nxpk= 10, iat= -1,2245, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1091,1092,1093,
&end
#
# 0 AMB 10-2:1859 60 ILE HN 4.50 (# 1859:10 Single
Ambig)
&rst
ixpk= 1859, nxpk= 10, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1617,1636,
&end
#
# 0 AMB 10-2:1861 60 ILE HN 5.50 (# 1861:10 Single
Ambig)
&rst
ixpk= 1861, nxpk= 10, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 9.06, r4=
9.56,
igr1= 830, 831, 832, 834, 835, 836,1607,1608,1609,1611,
1612,1613,1607,1608,1609,1611,1612,1613,1454,1455,
&end
#
# 59 LEU HB+ 60 ILE HN 5.50 (# 1862:10 Unique
3.63, 4.22 A)
&rst
ixpk= 1862, nxpk= 10, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 844, 845,
&end
#
# 0 AMB 10-2:1863 60 ILE HN 5.50 (# 1863:10 Single
Ambig)
&rst
ixpk= 1863, nxpk= 10, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 7.19, r4=
7.69,
igr1= 86, 87,1091,1092,1093,
&end
#
# 5 LEU MDY 60 ILE HN 5.50 (# 1864:10 Unique
4.40, 7.02 A)
&rst
ixpk= 1864, nxpk= 10, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 72, 73, 74, 76, 77, 78,
&end
#
# 59 LEU MDX 60 ILE HN 5.50 (# 1865:10 Unique
1.94, 4.29 A)
&rst
ixpk= 1865, nxpk= 10, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 849, 850, 851, 853, 854, 855,
&end
#
# 0 AMB 10-2:1866 112 GLY HN 5.50 (# 1866:10 Single
Ambig)
&rst
ixpk= 1866, nxpk= 10, iat= -1,1675, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1692,1693,1061,1062,1176,1177,
&end
#
# 20 PRO HG+ 11 SER HN 4.50 (# 1868:10 Unique
2.47, 3.20 A)
&rst
ixpk= 1868, nxpk= 10, iat= -1, 149, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 253, 254,
&end
#
# 0 AMB 10-2:1869 11 SER HN 4.50 (# 1869:10 Single
Ambig)
&rst
ixpk= 1869, nxpk= 10, iat= -1, 149, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 167, 168, 139, 140,
&end
#
# 12 MET HG+ 11 SER HN 5.50 (# 1870:10 Unique
3.82, 4.72 A)
&rst
ixpk= 1870, nxpk= 10, iat= -1, 149, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 167, 168,
&end
#
# 10 ASN HB+ 11 SER HN 5.50 (# 1871:10 Unique
4.39, 4.45 A)
&rst
ixpk= 1871, nxpk= 10, iat= -1, 149, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 139, 140,
&end
#
# 20 PRO HD+ 11 SER HN 5.50 (# 1872:10 Unique
4.55, 4.98 A)
&rst
ixpk= 1872, nxpk= 10, iat= -1, 149, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 250, 251,
&end
#
# 0 AMB 10-2:1873 11 SER HN 4.50 (# 1873:10 Single
Ambig)
&rst
ixpk= 1873, nxpk= 10, iat= -1, 149, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 227, 228, 227, 228,
&end
#
# 0 AMB 10-2:1874 11 SER HN 5.50 (# 1874:10 Single
Ambig)
&rst
ixpk= 1874, nxpk= 10, iat= -1, 149, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1= 549, 130, 131,
&end
#
# 0 AMB 10-2:1875 11 SER HN 5.50 (# 1875:10 Single
Ambig)
&rst
ixpk= 1875, nxpk= 10, iat= -1, 149, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 162, 114,
&end
#
# 13 MET HN 11 SER HN 5.50 (# 1876:10 Unique
4.55, 4.70 A)
&rst
ixpk= 1876, nxpk= 10, iat= 177, 149, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 10 ASN HN 11 SER HN 5.50 (# 1877:10 Unique
3.72, 4.08 A)
&rst
ixpk= 1877, nxpk= 10, iat= 135, 149, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:1878 56 THR HN 5.50 (# 1878:10 Single
Ambig)
&rst
ixpk= 1878, nxpk= 10, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 801, 802, 749, 750, 825, 826,
&end
#
# 4 VAL MGX 56 THR HN 5.50 (# 1879:10 Unique
3.95, 6.62 A)
&rst
ixpk= 1879, nxpk= 10, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 53, 54, 55, 57, 58, 59,
&end
#
# 80 ASP HN 77 ASP HN 5.50 (# 1880:10 Unique
3.51, 3.79 A)
&rst
ixpk= 1880, nxpk= 10, iat=1154,1116, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 150 GLN HE2- 77 ASP HN 5.50 (# 1881:10 Unique
2.60, 3.33 A)
&rst
ixpk= 1881, nxpk= 10, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=2267,2268,
&end
#
# 150 GLN HE2+ 77 ASP HN 5.50 (# 1882:10 Unique
2.60, 3.33 A)
&rst
ixpk= 1882, nxpk= 10, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=2267,2268,
&end
#
# 78 PRO HD- 77 ASP HN 4.50 (# 1883:10 Unique
4.65, 5.01 A)
&rst
ixpk= 1883, nxpk= 10, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1129,1130,
&end
#
# 78 PRO HD+ 77 ASP HN 5.50 (# 1884:10 Unique
4.65, 5.01 A)
&rst
ixpk= 1884, nxpk= 10, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1129,1130,
&end
#
# 0 AMB 10-2:1885 77 ASP HN 5.50 (# 1885:10 Single
Ambig)
&rst
ixpk= 1885, nxpk= 10, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2262,2263,1217,1218,
&end
#
# 151 LEU HB+ 77 ASP HN 5.50 (# 1886:10 Unique
4.55, 5.48 A)
&rst
ixpk= 1886, nxpk= 10, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=2276,2277,
&end
#
# 0 AMB 10-2:1887 77 ASP HN 4.50 (# 1887:10 Single
Ambig)
&rst
ixpk= 1887, nxpk= 10, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1=1101,1107,1108,
&end
#
# 151 LEU HB- 77 ASP HN 5.50 (# 1888:10 Unique
4.55, 5.48 A)
&rst
ixpk= 1888, nxpk= 10, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=2276,2277,
&end
#
# 0 AMB 10-2:1889 77 ASP HN 5.50 (# 1889:10 Single
Ambig)
&rst
ixpk= 1889, nxpk= 10, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 7.93, r4=
8.43,
igr1=1084,1085,1086,2281,2282,2283,2285,2286,2287,
&end
#
# 0 AMB 10-2:1890 77 ASP HN 5.50 (# 1890:10 Single
Ambig)
&rst
ixpk= 1890, nxpk= 10, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1110,1111,1112,1457,1458,1459,
&end
#
# 31 LYS HN 32 GLY HN 4.50 (# 1891:10 Unique
4.04, 4.43 A)
&rst
ixpk= 1891, nxpk= 10, iat= 403, 425, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 110 PHE HN 76 ILE HN 4.50 (# 1892:10 Unique
3.20, 3.41 A)
&rst
ixpk= 1892, nxpk= 10, iat=1636,1097, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 112 GLY HN 76 ILE HN 4.50 (# 1893:10 Unique
3.63, 3.68 A)
&rst
ixpk= 1893, nxpk= 10, iat=1675,1097, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 75 ILE HN 76 ILE HN 5.50 (# 1894:10 Unique
4.49, 4.51 A)
&rst
ixpk= 1894, nxpk= 10, iat=1078,1097, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 109 ILE HA 76 ILE HN 5.50 (# 1896:10 Unique
5.04, 5.27 A)
&rst
ixpk= 1896, nxpk= 10, iat=1619,1097, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:1897 76 ILE HN 5.50 (# 1897:10 Single
Ambig)
&rst
ixpk= 1897, nxpk= 10, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1663,2276,2277,
&end
#
# 0 AMB 10-2:1898 4 VAL HN 5.50 (# 1898:10 Single
Ambig)
&rst
ixpk= 1898, nxpk= 10, iat= -1, 47, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1566,1567,1568, 515, 516, 517,
&end
#
# 58 LEU HB- 4 VAL HN 5.50 (# 1899:10 Unique
3.91, 4.89 A)
&rst
ixpk= 1899, nxpk= 10, iat= -1, 47, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 825, 826,
&end
#
# 3 ASP HB+ 4 VAL HN 4.50 (# 1900:10 Unique
2.96, 3.77 A)
&rst
ixpk= 1900, nxpk= 10, iat= -1, 47, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 39, 40,
&end
#
# 35 VAL HB 4 VAL HN 5.50 (# 1901:10 Unique
4.78, 5.29 A)
&rst
ixpk= 1901, nxpk= 10, iat= 474, 47, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 34 TRP HA 4 VAL HN 5.50 (# 1902:10 Unique
3.78, 4.67 A)
&rst
ixpk= 1902, nxpk= 10, iat= 448, 47, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 55 PRO HA 4 VAL HN 5.50 (# 1903:10 Unique
5.16, 5.44 A)
&rst
ixpk= 1903, nxpk= 10, iat= 779, 47, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 4 VAL HA 4 VAL HN 3.50 (# 1904:10 Unique
2.96, 2.98 A)
&rst
ixpk= 1904, nxpk= 10, iat= 49, 47, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 10-2:1905 4 VAL HN 5.50 (# 1905:10 Single
Ambig)
&rst
ixpk= 1905, nxpk= 10, iat= -1, 47, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 804, 805, 804, 805,
&end
#
# 0 AMB 10-2:1906 4 VAL HN 5.50 (# 1906:10 Single
Ambig)
&rst
ixpk= 1906, nxpk= 10, iat= -1, 47, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 773, 774, 67, 68,
&end
#
# 35 VAL HN 3 ASP HN 5.50 (# 1907:10 Unique
3.47, 3.90 A)
&rst
ixpk= 1907, nxpk= 10, iat= 470, 35, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 64 THR HN 63 ALA HN 5.50 (# 1908:10 Unique
4.55, 4.58 A)
&rst
ixpk= 1908, nxpk= 10, iat= 916, 906, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 62 ASP HN 63 ALA HN 5.50 (# 1909:10 Unique
4.24, 4.27 A)
&rst
ixpk= 1909, nxpk= 10, iat= 894, 906, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:1910 63 ALA HN 5.50 (# 1910:10 Single
Ambig)
&rst
ixpk= 1910, nxpk= 10, iat= -1, 906, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1= 884, 885, 886, 888, 889, 890,1692,1693,
&end
#
# 4 VAL HA 3 ASP HN 5.50 (# 1912:10 Unique
4.55, 4.92 A)
&rst
ixpk= 1912, nxpk= 10, iat= 49, 35, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 12 MET HB+ 121 TYR HN 5.50 (# 1913:10 Unique
2.57, 3.93 A)
&rst
ixpk= 1913, nxpk= 10, iat= -1,1806, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 164, 165,
&end
#
# 12 MET HA 121 TYR HN 5.50 (# 1914:10 Unique
4.10, 4.42 A)
&rst
ixpk= 1914, nxpk= 10, iat= 162,1806, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 6 LEU HG 39 GLY HN 5.50 (# 1915:10 Unique
3.30, 3.77 A)
&rst
ixpk= 1915, nxpk= 10, iat= 89, 533, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 23 ALA MB 39 GLY HN 5.50 (# 1916:10 Unique
5.40, 6.34 A)
&rst
ixpk= 1916, nxpk= 10, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1= 305, 306, 307,
&end
#
# 8 VAL MGX 39 GLY HN 5.50 (# 1917:10 Unique
3.18, 5.27 A)
&rst
ixpk= 1917, nxpk= 10, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 118, 119, 120, 122, 123, 124,
&end
#
# 140 GLU HN 141 GLY HN 5.50 (# 1918:10 Unique
2.73, 2.88 A)
&rst
ixpk= 1918, nxpk= 10, iat=2129,2144, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 68 LEU HB- 114 GLN HN 5.50 (# 1920:10 Unique
5.06, 5.93 A)
&rst
ixpk= 1920, nxpk= 10, iat= -1,1701, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 970, 971,
&end
#
# 72 GLU HA 114 GLN HN 5.50 (# 1921:10 Unique
4.57, 4.64 A)
&rst
ixpk= 1921, nxpk= 10, iat=1022,1701, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:1922 151 LEU HN 5.50 (# 1922:10 Single
Ambig)
&rst
ixpk= 1922, nxpk= 10, iat= -1,2272, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=2255,2317,
&end
#
# 152 ALA HN 151 LEU HN 4.50 (# 1923:10 Unique
4.51, 4.54 A)
&rst
ixpk= 1923, nxpk= 10, iat=2291,2272, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 113 ILE HA 74 ARG HN 4.50 (# 1924:10 Unique
3.37, 3.50 A)
&rst
ixpk= 1924, nxpk= 10, iat=1684,1054, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 112 GLY HA+ 74 ARG HN 5.50 (# 1925:10 Unique
4.09, 4.51 A)
&rst
ixpk= 1925, nxpk= 10, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1677,1678,
&end
#
# 74 ARG HD- 0 AMB 10-1:1926 4.50 (# 1926:10 Single
Ambig)
&rst
ixpk= 1926, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1064,1065,
igr2=2272,1054,
&end
#
# 74 ARG HD+ 151 LEU HN 4.50 (# 1927:10 Unique
3.24, 4.20 A)
&rst
ixpk= 1927, nxpk= 10, iat= -1,2272, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1064,1065,
&end
#
# 151 LEU HB- 151 LEU HN 2.80 (# 1928:10 Unique
2.26, 2.41 A)
&rst
ixpk= 1928, nxpk= 10, iat= -1,2272, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1=2276,2277,
&end
#
# 0 AMB 10-2:1929 0 AMB 10-1:1929 4.50 (# 1929:10 Double
Ambig)
&rst
ixpk= 1929, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4=
7.78,
igr1=1091,1092,1093,2038,2039,2040,2042,2043,2044,
igr2=1054,2272,
&end
#
# 151 LEU MDX 151 LEU HN 4.50 (# 1930:10 Unique
4.52, 5.06 A)
&rst
ixpk= 1930, nxpk= 10, iat= -1,2272, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=2281,2282,2283,2285,2286,2287,
&end
#
# 0 AMB 10-2:1931 0 AMB 10-1:1931 4.50 (# 1931:10 Double
Ambig)
&rst
ixpk= 1931, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1692,1693,1110,1111,1112,
igr2=1054,2272,
&end
#
# 112 GLY HA- 74 ARG HN 5.50 (# 1932:10 Unique
4.09, 4.51 A)
&rst
ixpk= 1932, nxpk= 10, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1677,1678,
&end
#
# 0 AMB 10-2:1933 58 LEU HN 3.50 (# 1933:10 Single
Ambig)
&rst
ixpk= 1933, nxpk= 10, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1590,1591,1593,1594,
&end
#
# 57 ARG HB- 58 LEU HN 3.50 (# 1934:10 Unique
2.24, 3.33 A)
&rst
ixpk= 1934, nxpk= 10, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 801, 802,
&end
#
# 57 ARG HD+ 58 LEU HN 5.50 (# 1935:10 Unique
4.17, 4.88 A)
&rst
ixpk= 1935, nxpk= 10, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 807, 808,
&end
#
# 108 VAL HA 58 LEU HN 3.50 (# 1936:10 Unique
2.78, 2.98 A)
&rst
ixpk= 1936, nxpk= 10, iat=1603, 821, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 107 GLU HN 58 LEU HN 5.50 (# 1937:10 Unique
3.64, 3.72 A)
&rst
ixpk= 1937, nxpk= 10, iat=1586, 821, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 57 ARG HN 58 LEU HN 5.50 (# 1938:10 Unique
4.21, 4.26 A)
&rst
ixpk= 1938, nxpk= 10, iat= 797, 821, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 108 VAL HN 58 LEU HN 5.50 (# 1939:10 Unique
4.61, 4.80 A)
&rst
ixpk= 1939, nxpk= 10, iat=1601, 821, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 59 LEU HN 58 LEU HN 4.50 (# 1940:10 Unique
4.28, 4.34 A)
&rst
ixpk= 1940, nxpk= 10, iat= 840, 821, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 109 ILE HN 58 LEU HN 4.50 (# 1941:10 Unique
3.71, 3.84 A)
&rst
ixpk= 1941, nxpk= 10, iat=1617, 821, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 37 ILE HN 38 ASP HN 5.50 (# 1942:10 Unique
4.29, 4.33 A)
&rst
ixpk= 1942, nxpk= 10, iat= 502, 521, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 6 LEU HA 38 ASP HN 5.50 (# 1943:10 Unique
4.78, 4.87 A)
&rst
ixpk= 1943, nxpk= 10, iat= 84, 521, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 37 ILE HB 38 ASP HN 4.50 (# 1944:10 Unique
4.04, 4.09 A)
&rst
ixpk= 1944, nxpk= 10, iat= 506, 521, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 138 ARG HA 141 GLY HN 5.50 (# 1945:10 Unique
3.72, 4.01 A)
&rst
ixpk= 1945, nxpk= 10, iat=2088,2144, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 142 TRP HB- 141 GLY HN 5.50 (# 1946:10 Unique
3.50, 4.14 A)
&rst
ixpk= 1946, nxpk= 10, iat= -1,2144, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=2155,2156,
&end
#
# 0 AMB 10-2:1947 38 ASP HN 4.50 (# 1947:10 Single
Ambig)
&rst
ixpk= 1947, nxpk= 10, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1= 91, 92, 93, 95, 96, 97, 492, 493, 494, 496,
497, 498,
&end
#
# 37 ILE HG1- 38 ASP HN 4.50 (# 1948:10 Unique
4.21, 4.74 A)
&rst
ixpk= 1948, nxpk= 10, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 512, 513,
&end
#
# 0 AMB 10-2:1949 38 ASP HN 4.50 (# 1949:10 Single
Ambig)
&rst
ixpk= 1949, nxpk= 10, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1= 512, 513, 89,
&end
#
# 23 ALA MB 38 ASP HN 5.50 (# 1950:10 Unique
5.54, 6.22 A)
&rst
ixpk= 1950, nxpk= 10, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1= 305, 306, 307,
&end
#
# 39 GLY HN 38 ASP HN 4.50 (# 1951:10 Unique
3.75, 3.98 A)
&rst
ixpk= 1951, nxpk= 10, iat= 533, 521, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 10-2:1952 7 CYS HN 4.50 (# 1952:10 Single
Ambig)
&rst
ixpk= 1952, nxpk= 10, iat= -1, 101, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1= 86, 87, 118, 119, 120, 122, 123, 124,
&end
#
# 6 LEU HG 7 CYS HN 4.50 (# 1953:10 Unique
3.41, 3.68 A)
&rst
ixpk= 1953, nxpk= 10, iat= 89, 101, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 5 LEU HG 7 CYS HN 5.50 (# 1954:10 Unique
3.27, 3.70 A)
&rst
ixpk= 1954, nxpk= 10, iat= 70, 101, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:1955 7 CYS HN 4.50 (# 1955:10 Single
Ambig)
&rst
ixpk= 1955, nxpk= 10, iat= -1, 101, r1= 1.30, r2= 1.80, r3= 6.22, r4=
6.72,
igr1= 86, 87, 116, 575, 576, 575, 576,
&end
#
# 23 ALA MB 7 CYS HN 5.50 (# 1956:10 Unique
3.82, 5.31 A)
&rst
ixpk= 1956, nxpk= 10, iat= -1, 101, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1= 305, 306, 307,
&end
#
# 8 VAL HN 7 CYS HN 5.50 (# 1957:10 Unique
4.58, 4.61 A)
&rst
ixpk= 1957, nxpk= 10, iat= 112, 101, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 39 GLY HN 7 CYS HN 4.50 (# 1958:10 Unique
3.05, 3.51 A)
&rst
ixpk= 1958, nxpk= 10, iat= 533, 101, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 37 ILE HN 7 CYS HN 5.50 (# 1959:10 Unique
3.46, 3.60 A)
&rst
ixpk= 1959, nxpk= 10, iat= 502, 101, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 6 LEU HN 7 CYS HN 5.50 (# 1960:10 Unique
3.94, 4.11 A)
&rst
ixpk= 1960, nxpk= 10, iat= 82, 101, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:1961 65 ASP HN 4.50 (# 1961:10 Single
Ambig)
&rst
ixpk= 1961, nxpk= 10, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 6.49, r4=
6.99,
igr1=1722,1723,1214,1215, 953, 954, 955,1725,1726,
&end
#
# 115 PRO HD+ 65 ASP HN 5.50 (# 1962:10 Unique
3.98, 4.17 A)
&rst
ixpk= 1962, nxpk= 10, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1719,1720,
&end
#
# 64 THR HN 65 ASP HN 5.50 (# 1963:10 Unique
4.24, 4.29 A)
&rst
ixpk= 1963, nxpk= 10, iat= 916, 930, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 114 GLN HA 65 ASP HN 5.50 (# 1964:10 Unique
5.20, 5.28 A)
&rst
ixpk= 1964, nxpk= 10, iat=1703, 930, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:1965 130 ASP HN 5.50 (# 1965:10 Single
Ambig)
&rst
ixpk= 1965, nxpk= 10, iat= -1,1965, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1979,2005,
&end
#
# 129 LYS HD- 130 ASP HN 5.50 (# 1966:10 Unique
4.61, 5.22 A)
&rst
ixpk= 1966, nxpk= 10, iat= -1,1965, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1953,1954,
&end
#
# 0 AMB 10-2:1967 130 ASP HN 5.50 (# 1967:10 Single
Ambig)
&rst
ixpk= 1967, nxpk= 10, iat= -1,1965, r1= 1.30, r2= 1.80, r3= 7.93, r4=
8.43,
igr1=1930,1931,1932,1993,1994,1995,1997,1998,1999,
&end
#
# 0 AMB 10-2:1968 130 ASP HN 5.50 (# 1968:10 Single
Ambig)
&rst
ixpk= 1968, nxpk= 10, iat= -1,1965, r1= 1.30, r2= 1.80, r3= 7.93, r4=
8.43,
igr1= 272, 273, 274, 276, 277, 278,1937,1938,1939,
&end
#
# 81 ILE HB 80 ASP HN 4.50 (# 1969:10 Unique
3.72, 3.97 A)
&rst
ixpk= 1969, nxpk= 10, iat=1170,1154, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 148 PHE HA 75 ILE HN 5.50 (# 1970:10 Unique
5.41, 5.49 A)
&rst
ixpk= 1970, nxpk= 10, iat=2227,1078, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 151 LEU HA 75 ILE HN 5.50 (# 1971:10 Unique
5.16, 5.33 A)
&rst
ixpk= 1971, nxpk= 10, iat=2274,1078, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 73 ILE QG2 75 ILE HN 5.50 (# 1972:10 Unique
4.60, 5.92 A)
&rst
ixpk= 1972, nxpk= 10, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1041,1042,1043,
&end
#
# 76 ILE QG2 79 ASP HN 5.50 (# 1973:10 Unique
5.58, 6.74 A)
&rst
ixpk= 1973, nxpk= 10, iat= -1,1142, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1103,1104,1105,
&end
#
# 0 AMB 10-2:1974 79 ASP HN 5.50 (# 1974:10 Single
Ambig)
&rst
ixpk= 1974, nxpk= 10, iat= -1,1142, r1= 1.30, r2= 1.80, r3= 7.19, r4=
7.69,
igr1=1176,1177,1450,1451,1452,
&end
#
# 81 ILE HN 79 ASP HN 5.50 (# 1975:10 Unique
3.92, 3.96 A)
&rst
ixpk= 1975, nxpk= 10, iat=1166,1142, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 77 ASP HN 79 ASP HN 5.50 (# 1976:10 Unique
4.72, 4.88 A)
&rst
ixpk= 1976, nxpk= 10, iat=1116,1142, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:1977 136 TYR HN 5.50 (# 1977:10 Single
Ambig)
&rst
ixpk= 1977, nxpk= 10, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 286, 287, 336, 337,
&end
#
# 0 AMB 10-2:1978 136 TYR HN 5.50 (# 1978:10 Single
Ambig)
&rst
ixpk= 1978, nxpk= 10, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2024,2025,2026, 270,
&end
#
# 0 AMB 10-2:1979 136 TYR HN 5.50 (# 1979:10 Single
Ambig)
&rst
ixpk= 1979, nxpk= 10, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1= 330, 331, 289,
&end
#
# 139 LEU HB+ 31 LYS HN 5.50 (# 1980:10 Unique
3.63, 4.80 A)
&rst
ixpk= 1980, nxpk= 10, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=2114,2115,
&end
#
# 31 LYS HD+ 31 LYS HN 4.50 (# 1981:10 Unique
3.21, 4.10 A)
&rst
ixpk= 1981, nxpk= 10, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 413, 414,
&end
#
# 0 AMB 10-2:1982 108 VAL HN 4.50 (# 1982:10 Single
Ambig)
&rst
ixpk= 1982, nxpk= 10, iat= -1,1601, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1617,1636,
&end
#
# 58 LEU HN 108 VAL HN 5.50 (# 1983:10 Unique
4.61, 4.80 A)
&rst
ixpk= 1983, nxpk= 10, iat= 821,1601, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 107 GLU HN 108 VAL HN 4.50 (# 1984:10 Unique
3.89, 4.35 A)
&rst
ixpk= 1984, nxpk= 10, iat=1586,1601, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 57 ARG HA 108 VAL HN 5.50 (# 1985:10 Unique
4.86, 5.31 A)
&rst
ixpk= 1985, nxpk= 10, iat= 799,1601, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:1986 108 VAL HN 4.50 (# 1986:10 Single
Ambig)
&rst
ixpk= 1986, nxpk= 10, iat= -1,1601, r1= 1.30, r2= 1.80, r3= 6.22, r4=
6.72,
igr1=1627,1628, 804, 805, 804, 805,1564,
&end
#
# 0 AMB 10-2:1987 108 VAL HN 5.50 (# 1987:10 Single
Ambig)
&rst
ixpk= 1987, nxpk= 10, iat= -1,1601, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1521,1522,1521,1522,
&end
#
# 109 ILE QD1 108 VAL HN 5.50 (# 1988:10 Unique
3.68, 5.35 A)
&rst
ixpk= 1988, nxpk= 10, iat= -1,1601, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1630,1631,1632,
&end
#
# 0 AMB 10-2:1989 108 VAL HN 4.50 (# 1989:10 Single
Ambig)
&rst
ixpk= 1989, nxpk= 10, iat= -1,1601, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1566,1567,1568, 872, 873, 874,
&end
#
# 0 AMB 10-2:1990 69 ASN HN 4.50 (# 1990:10 Single
Ambig)
&rst
ixpk= 1990, nxpk= 10, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1000,1001, 961, 962,
&end
#
# 66 MET HB- 69 ASN HN 5.50 (# 1992:10 Unique
4.73, 5.42 A)
&rst
ixpk= 1992, nxpk= 10, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 946, 947,
&end
#
# 0 AMB 10-2:1993 40 GLY HN 5.50 (# 1993:10 Single
Ambig)
&rst
ixpk= 1993, nxpk= 10, iat= -1, 540, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 128, 558,
&end
#
# 0 AMB 10-2:1994 40 GLY HN 5.50 (# 1994:10 Single
Ambig)
&rst
ixpk= 1994, nxpk= 10, iat= -1, 540, r1= 1.30, r2= 1.80, r3= 7.93, r4=
8.43,
igr1= 91, 92, 93, 95, 96, 97, 508, 509, 510,
&end
#
# 146 GLY HA+ 145 ASN HN 5.50 (# 1995:10 Unique
3.99, 4.74 A)
&rst
ixpk= 1995, nxpk= 10, iat= -1,2197, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=2213,2214,
&end
#
# 145 ASN HD2- 145 ASN HN 5.50 (# 1996:10 Unique
4.69, 5.27 A)
&rst
ixpk= 1996, nxpk= 10, iat= -1,2197, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=2206,2207,
&end
#
# 144 GLY HN 145 ASN HN 4.50 (# 1997:10 Unique
2.83, 3.85 A)
&rst
ixpk= 1997, nxpk= 10, iat=2190,2197, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 75 ILE QG2 150 GLN HN 5.50 (# 2000:10 Unique
5.68, 6.38 A)
&rst
ixpk= 2000, nxpk= 10, iat= -1,2255, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1084,1085,1086,
&end
#
# 75 ILE HB 150 GLN HN 4.50 (# 2001:10 Unique
3.96, 4.18 A)
&rst
ixpk= 2001, nxpk= 10, iat=1082,2255, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 74 ARG HD+ 150 GLN HN 5.50 (# 2002:10 Unique
4.05, 4.65 A)
&rst
ixpk= 2002, nxpk= 10, iat= -1,2255, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1064,1065,
&end
#
# 0 AMB 10-2:2003 150 GLN HN 5.50 (# 2003:10 Single
Ambig)
&rst
ixpk= 2003, nxpk= 10, iat= -1,2255, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2201,2202,2229,2230,
&end
#
# 152 ALA HA 154 GLU HN 5.50 (# 2005:10 Unique
4.21, 4.49 A)
&rst
ixpk= 2005, nxpk= 10, iat=2293,2317, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 33 ASN HD2- 33 ASN HN 5.50 (# 2006:10 Unique
2.48, 5.35 A)
&rst
ixpk= 2006, nxpk= 10, iat= -1, 432, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 441, 442,
&end
#
# 119 GLY HN 14 GLY HN 5.50 (# 2007:10 Unique
3.57, 3.89 A)
&rst
ixpk= 2007, nxpk= 10, iat=1779, 194, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 16 ASP HN 14 GLY HN 5.50 (# 2008:10 Unique
4.55, 4.65 A)
&rst
ixpk= 2008, nxpk= 10, iat= 213, 194, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 8 VAL MGY 41 SER HN 5.50 (# 2009:10 Unique
3.10, 6.95 A)
&rst
ixpk= 2009, nxpk= 10, iat= -1, 547, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 118, 119, 120, 122, 123, 124,
&end
#
# 42 ALA MB 41 SER HN 5.50 (# 2010:10 Unique
4.37, 5.04 A)
&rst
ixpk= 2010, nxpk= 10, iat= -1, 547, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1= 562, 563, 564,
&end
#
# 0 AMB 10-2:2011 41 SER HN 5.50 (# 2011:10 Single
Ambig)
&rst
ixpk= 2011, nxpk= 10, iat= -1, 547, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 569, 570, 535, 536,
&end
#
# 42 ALA HA 41 SER HN 5.50 (# 2012:10 Unique
4.12, 5.10 A)
&rst
ixpk= 2012, nxpk= 10, iat= 560, 547, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 117 ILE QG2 118 VAL HN 4.50 (# 2013:10 Unique
4.59, 5.28 A)
&rst
ixpk= 2013, nxpk= 10, iat= -1,1763, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1=1750,1751,1752,
&end
#
# 117 ILE HG1+ 118 VAL HN 5.50 (# 2014:10 Unique
3.94, 4.94 A)
&rst
ixpk= 2014, nxpk= 10, iat= -1,1763, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1754,1755,
&end
#
# 15 ASP HB- 118 VAL HN 5.50 (# 2015:10 Unique
3.60, 6.03 A)
&rst
ixpk= 2015, nxpk= 10, iat= -1,1763, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 205, 206,
&end
#
# 119 GLY HN 118 VAL HN 5.50 (# 2016:10 Unique
4.07, 4.21 A)
&rst
ixpk= 2016, nxpk= 10, iat=1779,1763, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 117 ILE HN 118 VAL HN 5.50 (# 2017:10 Unique
2.68, 4.22 A)
&rst
ixpk= 2017, nxpk= 10, iat=1744,1763, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 48 VAL MGY 51 ARG HN 5.50 (# 2018:10 Unique
5.44, 6.19 A)
&rst
ixpk= 2018, nxpk= 10, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 648, 649, 650, 652, 653, 654,
&end
#
# 0 AMB 10-2:2019 51 ARG HN 5.50 (# 2019:10 Single
Ambig)
&rst
ixpk= 2019, nxpk= 10, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 642, 745,
&end
#
# 49 ALA HN 51 ARG HN 5.50 (# 2020:10 Unique
3.94, 4.04 A)
&rst
ixpk= 2020, nxpk= 10, iat= 658, 687, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 53 LEU HN 51 ARG HN 4.50 (# 2021:10 Unique
4.19, 4.25 A)
&rst
ixpk= 2021, nxpk= 10, iat= 726, 687, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 10-2:2022 17 GLY HN 5.50 (# 2022:10 Single
Ambig)
&rst
ixpk= 2022, nxpk= 10, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 256, 257,1725,1726,
&end
#
# 20 PRO HD- 17 GLY HN 5.50 (# 2023:10 Unique
5.21, 6.11 A)
&rst
ixpk= 2023, nxpk= 10, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 250, 251,
&end
#
# 0 AMB 10-2:2025 17 GLY HN 5.50 (# 2025:10 Single
Ambig)
&rst
ixpk= 2025, nxpk= 10, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 135, 263,
&end
#
# 15 ASP HN 17 GLY HN 5.50 (# 2026:10 Unique
4.38, 4.56 A)
&rst
ixpk= 2026, nxpk= 10, iat= 201, 225, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 74 ARG HE 152 ALA HN 5.50 (# 2027:10 Unique
4.33, 5.20 A)
&rst
ixpk= 2027, nxpk= 10, iat=1067,2291, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 74 ARG HD- 152 ALA HN 5.50 (# 2028:10 Unique
4.06, 5.83 A)
&rst
ixpk= 2028, nxpk= 10, iat= -1,2291, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1064,1065,
&end
#
# 0 AMB 10-2:2029 152 ALA HN 5.50 (# 2029:10 Single
Ambig)
&rst
ixpk= 2029, nxpk= 10, iat= -1,2291, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=2321,2322,2305,
&end
#
# 0 AMB 10-2:2030 152 ALA HN 5.50 (# 2030:10 Single
Ambig)
&rst
ixpk= 2030, nxpk= 10, iat= -1,2291, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=2307,2308,2309,2311,2312,2313,2307,2308,2309,2311,
2312,2313,
&end
#
# 74 ARG HG+ 152 ALA HN 5.50 (# 2031:10 Unique
4.51, 5.84 A)
&rst
ixpk= 2031, nxpk= 10, iat= -1,2291, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1061,1062,
&end
#
# 0 AMB 10-2:2032 67 GLY HN 5.50 (# 2032:10 Single
Ambig)
&rst
ixpk= 2032, nxpk= 10, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 7.19, r4=
7.69,
igr1= 953, 954, 955,1024,1025,
&end
#
# 0 AMB 10-2:2033 8 VAL HN 5.50 (# 2033:10 Single
Ambig)
&rst
ixpk= 2033, nxpk= 10, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 291, 292, 293, 295, 296, 297, 91, 92, 93, 95,
96, 97,
&end
#
# 6 LEU HG 8 VAL HN 5.50 (# 2034:10 Unique
4.53, 4.66 A)
&rst
ixpk= 2034, nxpk= 10, iat= 89, 112, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 23 ALA MB 8 VAL HN 5.50 (# 2035:10 Unique
5.57, 6.65 A)
&rst
ixpk= 2035, nxpk= 10, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1= 305, 306, 307,
&end
#
# 7 CYS HN 8 VAL HN 5.50 (# 2037:10 Unique
4.58, 4.61 A)
&rst
ixpk= 2037, nxpk= 10, iat= 101, 112, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:2038 8 VAL HN 5.50 (# 2038:10 Single
Ambig)
&rst
ixpk= 2038, nxpk= 10, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 533, 906,
&end
#
# 19 GLY HN 8 VAL HN 5.50 (# 2039:10 Unique
3.63, 3.70 A)
&rst
ixpk= 2039, nxpk= 10, iat= 242, 112, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 61 VAL HN 8 VAL HN 4.50 (# 2040:10 Unique
3.32, 3.46 A)
&rst
ixpk= 2040, nxpk= 10, iat= 878, 112, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 13 MET HA 120 PHE HN 5.50 (# 2041:10 Unique
3.97, 4.22 A)
&rst
ixpk= 2041, nxpk= 10, iat= 179,1786, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 122 TYR HN 120 PHE HN 5.50 (# 2042:10 Unique
4.46, 4.65 A)
&rst
ixpk= 2042, nxpk= 10, iat=1827,1786, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 134 THR HB 132 VAL HN 5.50 (# 2043:10 Unique
4.49, 4.57 A)
&rst
ixpk= 2043, nxpk= 10, iat=2022,1987, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 130 ASP HN 132 VAL HN 5.50 (# 2044:10 Unique
4.19, 4.29 A)
&rst
ixpk= 2044, nxpk= 10, iat=1965,1987, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:2045 132 VAL HN 5.50 (# 2045:10 Single
Ambig)
&rst
ixpk= 2045, nxpk= 10, iat= -1,1987, r1= 1.30, r2= 1.80, r3= 7.19, r4=
7.69,
igr1=1045,1046,1873,1874,1875,
&end
#
# 0 AMB 10-2:2046 132 VAL HN 4.50 (# 2046:10 Single
Ambig)
&rst
ixpk= 2046, nxpk= 10, iat= -1,1987, r1= 1.30, r2= 1.80, r3= 6.49, r4=
6.99,
igr1= 236, 237, 238,1950,1951, 286, 287, 336, 337,
&end
#
# 0 AMB 10-2:2047 132 VAL HN 5.50 (# 2047:10 Single
Ambig)
&rst
ixpk= 2047, nxpk= 10, iat= -1,1987, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 270, 267, 268,2024,2025,2026,
&end
#
# 113 ILE QG2 132 VAL HN 4.50 (# 2048:10 Unique
4.04, 5.13 A)
&rst
ixpk= 2048, nxpk= 10, iat= -1,1987, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1=1688,1689,1690,
&end
#
# 113 ILE HG1+ 132 VAL HN 5.50 (# 2049:10 Unique
5.39, 6.10 A)
&rst
ixpk= 2049, nxpk= 10, iat= -1,1987, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1692,1693,
&end
#
# 97 LEU HN 95 ASN HN 5.50 (# 2051:10 Unique
4.42, 4.55 A)
&rst
ixpk= 2051, nxpk= 10, iat=1425,1390, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 85 PHE HD 95 ASN HN 5.50 (# 2052:10 Unique
5.20, 5.97 A)
&rst
ixpk= 2052, nxpk= 10, iat= -1,1390, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1235,1243,
&end
#
# 95 ASN HD2+ 95 ASN HN 5.50 (# 2053:10 Unique
2.21, 3.22 A)
&rst
ixpk= 2053, nxpk= 10, iat= -1,1390, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1399,1400,
&end
#
# 0 AMB 10-2:2054 95 ASN HN 4.50 (# 2054:10 Single
Ambig)
&rst
ixpk= 2054, nxpk= 10, iat= -1,1390, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1187,1373,
&end
#
# 94 LEU HG 95 ASN HN 5.50 (# 2055:10 Unique
4.95, 5.18 A)
&rst
ixpk= 2055, nxpk= 10, iat=1378,1390, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:2057 0 AMB 10-1:2057 5.50 (# 2057:10 Double
Ambig)
&rst
ixpk= 2057, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=2319, 944,1285,
igr2=2301,1340,
&end
#
# 85 PHE HB+ 92 MET HN 5.50 (# 2058:10 Unique
3.18, 5.16 A)
&rst
ixpk= 2058, nxpk= 10, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1231,1232,
&end
#
# 91 ASN HB+ 92 MET HN 3.50 (# 2060:10 Unique
1.80, 3.09 A)
&rst
ixpk= 2060, nxpk= 10, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1330,1331,
&end
#
# 91 ASN HB- 92 MET HN 4.50 (# 2061:10 Unique
1.80, 3.09 A)
&rst
ixpk= 2061, nxpk= 10, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1330,1331,
&end
#
# 131 ALA MB 73 ILE HN 5.50 (# 2062:10 Unique
4.58, 5.41 A)
&rst
ixpk= 2062, nxpk= 10, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1981,1982,1983,
&end
#
# 113 ILE HG1+ 73 ILE HN 5.50 (# 2063:10 Unique
4.64, 5.43 A)
&rst
ixpk= 2063, nxpk= 10, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1692,1693,
&end
#
# 113 ILE QG2 64 THR HN 5.50 (# 2064:10 Unique
4.68, 5.50 A)
&rst
ixpk= 2064, nxpk= 10, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1688,1689,1690,
&end
#
# 18 ALA MB 64 THR HN 5.50 (# 2065:10 Unique
5.84, 6.16 A)
&rst
ixpk= 2065, nxpk= 10, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1= 236, 237, 238,
&end
#
# 65 ASP HN 64 THR HN 5.50 (# 2066:10 Unique
4.24, 4.29 A)
&rst
ixpk= 2066, nxpk= 10, iat= 930, 916, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 63 ALA HN 64 THR HN 5.50 (# 2067:10 Unique
4.55, 4.58 A)
&rst
ixpk= 2067, nxpk= 10, iat= 906, 916, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:2068 0 AMB 10-1:2068 5.50 (# 2068:10 Double
Ambig)
&rst
ixpk= 2068, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=2052,2053,2052,2053,
igr2=2032, 311,
&end
#
# 0 AMB 10-2:2069 64 THR HN 4.50 (# 2069:10 Single
Ambig)
&rst
ixpk= 2069, nxpk= 10, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1=1684, 932,1728,
&end
#
# 90 HIS HB- 91 ASN HN 5.50 (# 2070:10 Unique
2.62, 3.91 A)
&rst
ixpk= 2070, nxpk= 10, iat= -1,1326, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1313,1314,
&end
#
# 90 HIS HB+ 91 ASN HN 5.50 (# 2071:10 Unique
2.62, 3.91 A)
&rst
ixpk= 2071, nxpk= 10, iat= -1,1326, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1313,1314,
&end
#
# 91 ASN HB+ 91 ASN HN 5.50 (# 2072:10 Unique
2.24, 3.11 A)
&rst
ixpk= 2072, nxpk= 10, iat= -1,1326, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1330,1331,
&end
#
# 91 ASN HB- 91 ASN HN 5.50 (# 2073:10 Unique
2.24, 3.11 A)
&rst
ixpk= 2073, nxpk= 10, iat= -1,1326, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1330,1331,
&end
#
# 55 PRO HB- 106 GLY HN 5.50 (# 2074:10 Unique
4.52, 5.42 A)
&rst
ixpk= 2074, nxpk= 10, iat= -1,1579, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 776, 777,
&end
#
# 0 AMB 10-2:2075 25 LYS HN 4.50 (# 2075:10 Single
Ambig)
&rst
ixpk= 2075, nxpk= 10, iat= -1, 326, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1= 291, 292, 293, 295, 296, 297,1993,1994,1995,1997,
1998,1999,
&end
#
# 21 LEU MDY 25 LYS HN 4.50 (# 2076:10 Unique
4.10, 6.31 A)
&rst
ixpk= 2076, nxpk= 10, iat= -1, 326, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1= 272, 273, 274, 276, 277, 278,
&end
#
# 0 AMB 10-2:2077 25 LYS HN 4.50 (# 2077:10 Single
Ambig)
&rst
ixpk= 2077, nxpk= 10, iat= -1, 326, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1= 291, 292, 293, 295, 296, 297,1993,1994,1995,1997,
1998,1999,
&end
#
# 0 AMB 10-2:2078 0 AMB 10-1:2078 5.50 (# 2078:10 Double
Ambig)
&rst
ixpk= 2078, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=2088,1967,
igr2=2069,2081,2082,
&end
#
# 0 AMB 10-2:2079 0 AMB 10-1:2079 3.50 (# 2079:10 Double
Ambig)
&rst
ixpk= 2079, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1=2010,2011, 416, 417,
igr2=2081,2082,2069,
&end
#
# 0 AMB 10-2:2080 137 GLN HN 5.50 (# 2080:10 Single
Ambig)
&rst
ixpk= 2080, nxpk= 10, iat= -1,2069, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 413, 414, 407, 408,2093,2094,
&end
#
# 134 THR MG2 0 AMB 10-1:2081 5.50 (# 2081:10 Single
Ambig)
&rst
ixpk= 2081, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4=
8.43,
igr1=2024,2025,2026,
igr2=2081,2082,2069,
&end
#
# 22 LEU MDY 137 GLN HN 5.50 (# 2082:10 Unique
5.56, 7.34 A)
&rst
ixpk= 2082, nxpk= 10, iat= -1,2069, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 291, 292, 293, 295, 296, 297,
&end
#
# 0 AMB 10-2:2083 137 GLN HN 5.50 (# 2083:10 Single
Ambig)
&rst
ixpk= 2083, nxpk= 10, iat= -1,2069, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=2119,2120,2121,2123,2124,2125, 330, 331,
&end
#
# 0 AMB 10-2:2084 137 GLN HN 5.50 (# 2084:10 Single
Ambig)
&rst
ixpk= 2084, nxpk= 10, iat= -1,2069, r1= 1.30, r2= 1.80, r3= 8.54, r4=
9.04,
igr1= 410, 411,2038,2039,2040,2042,2043,2044, 291, 292,
293, 295, 296, 297,
&end
#
# 135 VAL MGY 137 GLN HN 5.50 (# 2085:10 Unique
5.38, 6.60 A)
&rst
ixpk= 2085, nxpk= 10, iat= -1,2069, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=2038,2039,2040,2042,2043,2044,
&end
#
# 0 AMB 10-2:2086 0 AMB 10-1:2086 5.50 (# 2086:10 Double
Ambig)
&rst
ixpk= 2086, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4=
9.40,
igr1=2007,2008,2007,2008,2136,2137,
igr2=2081,2082,2069,
&end
#
# 135 VAL HA 0 AMB 10-1:2087 5.50 (# 2087:10 Single
Ambig)
&rst
ixpk= 2087, nxpk= 10, iat=2034, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=2069,2081,2082,
&end
#
# 139 LEU HN 137 GLN HN 5.50 (# 2088:10 Unique
4.51, 4.61 A)
&rst
ixpk= 2088, nxpk= 10, iat=2110,2069, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 136 TYR HN 134 THR HN 5.50 (# 2090:10 Unique
3.40, 3.63 A)
&rst
ixpk= 2090, nxpk= 10, iat=2048,2018, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 131 ALA HN 134 THR HN 5.50 (# 2091:10 Unique
4.64, 4.75 A)
&rst
ixpk= 2091, nxpk= 10, iat=1977,2018, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 136 TYR HB- 134 THR HN 5.50 (# 2093:10 Unique
4.26, 5.07 A)
&rst
ixpk= 2093, nxpk= 10, iat= -1,2018, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=2052,2053,
&end
#
# 131 ALA MB 134 THR HN 4.50 (# 2094:10 Unique
4.95, 5.27 A)
&rst
ixpk= 2094, nxpk= 10, iat= -1,2018, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1=1981,1982,1983,
&end
#
# 0 AMB 10-2:2095 134 THR HN 5.50 (# 2095:10 Single
Ambig)
&rst
ixpk= 2095, nxpk= 10, iat= -1,2018, r1= 1.30, r2= 1.80, r3= 7.19, r4=
7.69,
igr1=1045,1046,1695,1696,1697,
&end
#
# 88 THR HN 89 THR HN 5.50 (# 2096:10 Unique
2.66, 3.06 A)
&rst
ixpk= 2096, nxpk= 10, iat=1281,1295, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 88 THR MG2 89 THR HN 4.50 (# 2097:10 Unique
1.82, 4.53 A)
&rst
ixpk= 2097, nxpk= 10, iat= -1,1295, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1=1287,1288,1289,
&end
#
# 125 THR HN 124 MET HN 4.50 (# 2098:10 Unique
4.56, 4.58 A)
&rst
ixpk= 2098, nxpk= 10, iat=1879,1862, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 10-2:2100 124 MET HN 4.50 (# 2100:10 Single
Ambig)
&rst
ixpk= 2100, nxpk= 10, iat= -1,1862, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1956,1957,1869,1870,1831,1832,
&end
#
# 0 AMB 10-2:2101 124 MET HN 4.50 (# 2101:10 Single
Ambig)
&rst
ixpk= 2101, nxpk= 10, iat= -1,1862, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1956,1957,1869,1870,
&end
#
# 14 GLY HA- 124 MET HN 5.50 (# 2102:10 Unique
3.47, 4.79 A)
&rst
ixpk= 2102, nxpk= 10, iat= -1,1862, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 196, 197,
&end
#
# 14 GLY HA+ 124 MET HN 4.50 (# 2103:10 Unique
3.47, 4.79 A)
&rst
ixpk= 2103, nxpk= 10, iat= -1,1862, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 196, 197,
&end
#
# 123 PRO HD+ 124 MET HN 5.50 (# 2104:10 Unique
5.44, 5.59 A)
&rst
ixpk= 2104, nxpk= 10, iat= -1,1862, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1849,1850,
&end
#
# 90 HIS HA 90 HIS HN 5.50 (# 2105:10 Unique
2.23, 2.83 A)
&rst
ixpk= 2105, nxpk= 10, iat=1311,1309, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:2106 42 ALA HN 4.50 (# 2106:10 Single
Ambig)
&rst
ixpk= 2106, nxpk= 10, iat= -1, 558, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1= 575, 576, 575, 576, 572, 573, 572, 573,
&end
#
# 87 MET HG+ 87 MET HN 4.50 (# 2107:10 Unique
2.07, 4.30 A)
&rst
ixpk= 2107, nxpk= 10, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1271,1272,
&end
#
# 87 MET HG- 87 MET HN 4.50 (# 2108:10 Unique
2.07, 4.30 A)
&rst
ixpk= 2108, nxpk= 10, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1271,1272,
&end
#
# 118 VAL HN 117 ILE HN 4.50 (# 2109:10 Unique
2.68, 4.22 A)
&rst
ixpk= 2109, nxpk= 10, iat=1763,1744, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 10-2:2110 117 ILE HN 5.50 (# 2110:10 Single
Ambig)
&rst
ixpk= 2110, nxpk= 10, iat= -1,1744, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1765,1881,
&end
#
# 98 ILE HA 102 LYS HN 4.50 (# 2111:10 Unique
3.69, 3.82 A)
&rst
ixpk= 2111, nxpk= 10, iat=1446,1511, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 10-2:2112 52 GLU HN 5.50 (# 2112:10 Single
Ambig)
&rst
ixpk= 2112, nxpk= 10, iat= -1, 711, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 697, 698, 697, 698,
&end
#
# 0 AMB 10-2:2113 102 LYS HN 5.50 (# 2113:10 Single
Ambig)
&rst
ixpk= 2113, nxpk= 10, iat= -1,1511, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1524,1525,1524,1525,
&end
#
# 99 ASP HB+ 102 LYS HN 5.50 (# 2114:10 Unique
5.52, 5.70 A)
&rst
ixpk= 2114, nxpk= 10, iat= -1,1511, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1467,1468,
&end
#
# 99 ASP HB- 102 LYS HN 5.50 (# 2115:10 Unique
5.52, 5.70 A)
&rst
ixpk= 2115, nxpk= 10, iat= -1,1511, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1467,1468,
&end
#
# 48 VAL MGY 52 GLU HN 5.50 (# 2116:10 Unique
4.57, 6.27 A)
&rst
ixpk= 2116, nxpk= 10, iat= -1, 711, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 648, 649, 650, 652, 653, 654,
&end
#
# 6 LEU HN 61 VAL HN 5.50 (# 2117:10 Unique
4.16, 4.35 A)
&rst
ixpk= 2117, nxpk= 10, iat= 82, 878, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 60 ILE HN 61 VAL HN 5.50 (# 2118:10 Unique
4.40, 4.48 A)
&rst
ixpk= 2118, nxpk= 10, iat= 859, 878, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 8 VAL HN 61 VAL HN 4.50 (# 2119:10 Unique
3.32, 3.46 A)
&rst
ixpk= 2119, nxpk= 10, iat= 112, 878, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 10-2:2120 61 VAL HN 5.50 (# 2120:10 Single
Ambig)
&rst
ixpk= 2120, nxpk= 10, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 898, 899, 105, 106,
&end
#
# 0 AMB 10-2:2121 61 VAL HN 4.50 (# 2121:10 Single
Ambig)
&rst
ixpk= 2121, nxpk= 10, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1= 116, 86, 87,
&end
#
# 6 LEU HG 61 VAL HN 5.50 (# 2122:10 Unique
4.12, 4.30 A)
&rst
ixpk= 2122, nxpk= 10, iat= 89, 878, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:2123 61 VAL HN 4.50 (# 2123:10 Single
Ambig)
&rst
ixpk= 2123, nxpk= 10, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1= 863, 869, 870,
&end
#
# 5 LEU MDY 61 VAL HN 4.50 (# 2124:10 Unique
4.03, 5.97 A)
&rst
ixpk= 2124, nxpk= 10, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1= 72, 73, 74, 76, 77, 78,
&end
#
# 5 LEU MDX 61 VAL HN 5.50 (# 2125:10 Unique
4.03, 5.97 A)
&rst
ixpk= 2125, nxpk= 10, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 72, 73, 74, 76, 77, 78,
&end
#
# 0 AMB 10-2:2126 61 VAL HN 5.50 (# 2126:10 Single
Ambig)
&rst
ixpk= 2126, nxpk= 10, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1= 118, 119, 120, 122, 123, 124, 86, 87,
&end
#
# 133 GLU HN 135 VAL HN 5.50 (# 2127:10 Unique
4.18, 4.37 A)
&rst
ixpk= 2127, nxpk= 10, iat=2003,2032, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:2129 0 AMB 10-1:2129 4.50 (# 2129:10 Double
Ambig)
&rst
ixpk= 2129, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4=
8.14,
igr1= 286, 287, 286, 287, 339, 340, 339, 340,2010,2011,
339, 340,
igr2=2032, 311,
&end
#
# 25 LYS HB+ 24 GLU HN 4.50 (# 2130:10 Unique
4.87, 5.63 A)
&rst
ixpk= 2130, nxpk= 10, iat= -1, 311, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 330, 331,
&end
#
# 0 AMB 10-2:2131 135 VAL HN 4.50 (# 2131:10 Single
Ambig)
&rst
ixpk= 2131, nxpk= 10, iat= -1,2032, r1= 1.30, r2= 1.80, r3= 7.22, r4=
7.72,
igr1=1045,1046,1695,1696,1697,1665,1666,1667,1669,1670,
1671, 884, 885, 886, 888, 889, 890,
&end
#
# 0 AMB 10-2:2132 0 AMB 10-1:2132 5.50 (# 2132:10 Double
Ambig)
&rst
ixpk= 2132, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=2052,2053, 525, 526,
igr2=2032, 311,
&end
#
# 0 AMB 10-2:2133 46 ASP HN 5.50 (# 2133:10 Single
Ambig)
&rst
ixpk= 2133, nxpk= 10, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 625, 644,
&end
#
# 44 GLU HA 46 ASP HN 4.50 (# 2134:10 Unique
3.45, 3.62 A)
&rst
ixpk= 2134, nxpk= 10, iat= 584, 611, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 45 ASN HB+ 46 ASP HN 3.50 (# 2135:10 Unique
3.20, 4.00 A)
&rst
ixpk= 2135, nxpk= 10, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 601, 602,
&end
#
# 44 GLU HN 46 ASP HN 5.50 (# 2136:10 Unique
3.94, 4.06 A)
&rst
ixpk= 2136, nxpk= 10, iat= 582, 611, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 45 ASN HD2+ 46 ASP HN 5.50 (# 2137:10 Unique
2.95, 3.69 A)
&rst
ixpk= 2137, nxpk= 10, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 606, 607,
&end
#
# 44 GLU HG- 46 ASP HN 5.50 (# 2138:10 Unique
4.68, 5.77 A)
&rst
ixpk= 2138, nxpk= 10, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 589, 590,
&end
#
# 47 ILE HG1- 46 ASP HN 4.50 (# 2139:10 Unique
3.73, 4.75 A)
&rst
ixpk= 2139, nxpk= 10, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 633, 634,
&end
#
# 49 ALA MB 46 ASP HN 5.50 (# 2140:10 Unique
5.54, 6.48 A)
&rst
ixpk= 2140, nxpk= 10, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1= 662, 663, 664,
&end
#
# 42 ALA MB 46 ASP HN 5.50 (# 2141:10 Unique
5.37, 6.45 A)
&rst
ixpk= 2141, nxpk= 10, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1= 562, 563, 564,
&end
#
# 0 AMB 10-2:2142 46 ASP HN 4.50 (# 2142:10 Single
Ambig)
&rst
ixpk= 2142, nxpk= 10, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 7.47, r4=
7.97,
igr1=1434,1435,1436,1438,1439,1440, 91, 92, 93, 95,
96, 97, 508, 509, 510,1501,1502,1503,1505,1506,
1507,
&end
#
# 0 AMB 10-2:2143 46 ASP HN 4.50 (# 2143:10 Single
Ambig)
&rst
ixpk= 2143, nxpk= 10, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 6.71, r4=
7.21,
igr1=1434,1435,1436,1438,1439,1440, 681, 682, 683, 678,
679,
&end
#
# 0 AMB 10-2:2144 46 ASP HN 4.50 (# 2144:10 Single
Ambig)
&rst
ixpk= 2144, nxpk= 10, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1= 636, 637, 638, 629, 630, 631,
&end
#
# 47 ILE HG1+ 46 ASP HN 5.50 (# 2145:10 Unique
3.73, 4.75 A)
&rst
ixpk= 2145, nxpk= 10, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 633, 634,
&end
#
# 130 ASP HN 126 GLN HE2- 5.50 (# 2146:10 Unique
2.72, 3.54 A)
&rst
ixpk= 2146, nxpk= 10, iat=1965, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1905,1906,
&end
#
# 130 ASP HA 126 GLN HE2- 5.50 (# 2147:10 Unique
3.89, 4.21 A)
&rst
ixpk= 2147, nxpk= 10, iat=1967, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1905,1906,
&end
#
# 0 AMB 10-2:2148 126 GLN HE2- 5.50 (# 2148:10 Single
Ambig)
&rst
ixpk= 2148, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1911,1912,1945,
igr2=1905,1906,
&end
#
# 37 ILE HG1+ 50 ILE HN 5.50 (# 2149:10 Unique
5.98, 6.28 A)
&rst
ixpk= 2149, nxpk= 10, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 512, 513,
&end
#
# 0 AMB 10-2:2150 50 ILE HN 5.50 (# 2150:10 Single
Ambig)
&rst
ixpk= 2150, nxpk= 10, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1= 648, 649, 650, 652, 653, 654, 512, 513,
&end
#
# 0 AMB 10-2:2151 82 ALA HN 5.50 (# 2151:10 Single
Ambig)
&rst
ixpk= 2151, nxpk= 10, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1144,1367,
&end
#
# 0 AMB 10-2:2152 82 ALA HN 5.50 (# 2152:10 Single
Ambig)
&rst
ixpk= 2152, nxpk= 10, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1138,1392,1197,
&end
#
# 0 AMB 10-2:2153 82 ALA HN 5.50 (# 2153:10 Single
Ambig)
&rst
ixpk= 2153, nxpk= 10, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 7.61, r4=
8.11,
igr1=1214,1215,1214,1215,1132,1133,1448,
&end
#
# 8 VAL MGX 62 ASP HN 5.50 (# 2154:10 Unique
6.05, 6.95 A)
&rst
ixpk= 2154, nxpk= 10, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 118, 119, 120, 122, 123, 124,
&end
#
# 0 AMB 10-2:2155 62 ASP HN 4.50 (# 2155:10 Single
Ambig)
&rst
ixpk= 2155, nxpk= 10, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 291, 292, 293, 295, 296, 297,2038,2039,2040,2042,
2043,2044,1993,1994,1995,1997,1998,1999,1107,1108,
&end
#
# 0 AMB 10-2:2156 62 ASP HN 5.50 (# 2156:10 Single
Ambig)
&rst
ixpk= 2156, nxpk= 10, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 7.93, r4=
8.43,
igr1= 118, 119, 120, 122, 123, 124, 922, 923, 924,
&end
#
# 0 AMB 10-2:2157 62 ASP HN 4.50 (# 2157:10 Single
Ambig)
&rst
ixpk= 2157, nxpk= 10, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1=1660,1661,1993,1994,1995,1997,1998,1999,
&end
#
# 61 VAL HB 62 ASP HN 4.50 (# 2159:10 Unique
4.07, 4.14 A)
&rst
ixpk= 2159, nxpk= 10, iat= 882, 894, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 111 LEU HB+ 62 ASP HN 5.50 (# 2160:10 Unique
4.63, 5.40 A)
&rst
ixpk= 2160, nxpk= 10, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1660,1661,
&end
#
# 8 VAL HB 62 ASP HN 5.50 (# 2161:10 Unique
4.67, 4.89 A)
&rst
ixpk= 2161, nxpk= 10, iat= 116, 894, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 112 GLY HA- 62 ASP HN 4.50 (# 2162:10 Unique
3.12, 4.02 A)
&rst
ixpk= 2162, nxpk= 10, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1677,1678,
&end
#
# 113 ILE HN 62 ASP HN 5.50 (# 2165:10 Unique
4.06, 4.13 A)
&rst
ixpk= 2165, nxpk= 10, iat=1682, 894, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 8 VAL HN 62 ASP HN 5.50 (# 2167:10 Unique
5.12, 5.22 A)
&rst
ixpk= 2167, nxpk= 10, iat= 112, 894, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 63 ALA HN 62 ASP HN 5.50 (# 2168:10 Unique
4.24, 4.27 A)
&rst
ixpk= 2168, nxpk= 10, iat= 906, 894, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 111 LEU HN 62 ASP HN 5.50 (# 2169:10 Unique
4.08, 4.13 A)
&rst
ixpk= 2169, nxpk= 10, iat=1656, 894, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 13 MET HB- 12 MET HN 3.50 (# 2174:10 Unique
3.60, 4.16 A)
&rst
ixpk= 2174, nxpk= 10, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 181, 182,
&end
#
# 154 GLU HN 152 ALA HN 4.50 (# 2175:10 Unique
2.53, 3.26 A)
&rst
ixpk= 2175, nxpk= 10, iat=2317,2291, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 10-2:2177 152 ALA HN 5.50 (# 2177:10 Single
Ambig)
&rst
ixpk= 2177, nxpk= 10, iat= -1,2291, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 946, 947,1058,1059,
&end
#
# 77 ASP HA 80 ASP HN 5.50 (# 2178:10 Unique
4.72, 4.86 A)
&rst
ixpk= 2178, nxpk= 10, iat=1118,1154, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 81 ILE QD1 80 ASP HN 5.50 (# 2179:10 Unique
4.94, 5.69 A)
&rst
ixpk= 2179, nxpk= 10, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1179,1180,1181,
&end
#
# 138 ARG HA 140 GLU HN 4.50 (# 2180:10 Unique
3.88, 4.21 A)
&rst
ixpk= 2180, nxpk= 10, iat=2088,2129, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 34 TRP HE1 140 GLU HN 5.50 (# 2181:10 Unique
4.50, 4.74 A)
&rst
ixpk= 2181, nxpk= 10, iat= 456,2129, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 105 ILE HN 102 LYS HN 5.50 (# 2183:10 Unique
4.70, 4.88 A)
&rst
ixpk= 2183, nxpk= 10, iat=1560,1511, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:2184 135 VAL HN 5.50 (# 2184:10 Single
Ambig)
&rst
ixpk= 2184, nxpk= 10, iat= -1,2032, r1= 1.30, r2= 1.80, r3= 7.19, r4=
7.69,
igr1=1981,1982,1983,2093,2094,
&end
#
# 132 VAL HN 135 VAL HN 5.50 (# 2187:10 Unique
4.65, 4.71 A)
&rst
ixpk= 2187, nxpk= 10, iat=1987,2032, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 51 ARG HG+ 50 ILE HN 5.50 (# 2188:10 Unique
4.97, 5.74 A)
&rst
ixpk= 2188, nxpk= 10, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 694, 695,
&end
#
# 129 LYS HD+ 126 GLN HE2- 4.50 (# 2189:10 Unique
2.95, 4.71 A)
&rst
ixpk= 2189, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1953,1954,
igr2=1905,1906,
&end
#
# 0 AMB 10-2:2190 50 ILE HN 5.50 (# 2190:10 Single
Ambig)
&rst
ixpk= 2190, nxpk= 10, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 7.19, r4=
7.69,
igr1= 506,1496,1497, 773, 774,
&end
#
# 46 ASP HB+ 50 ILE HN 5.50 (# 2191:10 Unique
3.68, 4.65 A)
&rst
ixpk= 2191, nxpk= 10, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 615, 616,
&end
#
# 46 ASP HA 50 ILE HN 5.50 (# 2192:10 Unique
4.11, 4.22 A)
&rst
ixpk= 2192, nxpk= 10, iat= 613, 668, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 63 ALA MB 62 ASP HN 5.50 (# 2193:10 Unique
6.08, 6.45 A)
&rst
ixpk= 2193, nxpk= 10, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1= 910, 911, 912,
&end
#
# 143 GLU HA 146 GLY HN 5.50 (# 2195:10 Unique
3.74, 4.58 A)
&rst
ixpk= 2195, nxpk= 10, iat=2177,2211, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 45 ASN HD2+ 45 ASN HN 4.50 (# 2196:10 Unique
2.18, 3.45 A)
&rst
ixpk= 2196, nxpk= 10, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 606, 607,
&end
#
# 47 ILE HN 45 ASN HN 5.50 (# 2197:10 Unique
4.27, 4.35 A)
&rst
ixpk= 2197, nxpk= 10, iat= 623, 597, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 45 ASN HD2- 45 ASN HN 5.50 (# 2198:10 Unique
2.18, 3.45 A)
&rst
ixpk= 2198, nxpk= 10, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 606, 607,
&end
#
# 42 ALA HA 45 ASN HN 5.50 (# 2199:10 Unique
4.13, 4.44 A)
&rst
ixpk= 2199, nxpk= 10, iat= 560, 597, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 44 GLU HA 45 ASN HN 4.50 (# 2200:10 Unique
3.52, 3.56 A)
&rst
ixpk= 2200, nxpk= 10, iat= 584, 597, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 46 ASP HB- 45 ASN HN 5.50 (# 2201:10 Unique
4.40, 5.33 A)
&rst
ixpk= 2201, nxpk= 10, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 615, 616,
&end
#
# 44 GLU HG+ 45 ASN HN 4.50 (# 2202:10 Unique
2.26, 3.63 A)
&rst
ixpk= 2202, nxpk= 10, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 589, 590,
&end
#
# 44 GLU HB- 45 ASN HN 4.50 (# 2203:10 Unique
2.80, 3.98 A)
&rst
ixpk= 2203, nxpk= 10, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 586, 587,
&end
#
# 0 AMB 10-2:2204 45 ASN HN 4.50 (# 2204:10 Single
Ambig)
&rst
ixpk= 2204, nxpk= 10, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 6.49, r4=
6.99,
igr1= 572, 573, 572, 573, 575, 576, 575, 576, 627,
&end
#
# 94 LEU MDX 95 ASN HN 5.50 (# 2205:10 Unique
5.05, 6.18 A)
&rst
ixpk= 2205, nxpk= 10, iat= -1,1390, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1380,1381,1382,1384,1385,1386,
&end
#
# 47 ILE QD1 45 ASN HN 5.50 (# 2206:10 Unique
4.91, 6.01 A)
&rst
ixpk= 2206, nxpk= 10, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1= 636, 637, 638,
&end
#
# 0 AMB 10-2:2207 45 ASN HN 5.50 (# 2207:10 Single
Ambig)
&rst
ixpk= 2207, nxpk= 10, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 7.93, r4=
8.43,
igr1=1434,1435,1436,1438,1439,1440, 681, 682, 683,
&end
#
# 25 LYS HD- 26 CYS HN 5.50 (# 2208:10 Unique
4.68, 5.27 A)
&rst
ixpk= 2208, nxpk= 10, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 336, 337,
&end
#
# 0 AMB 10-2:2209 26 CYS HN 5.50 (# 2209:10 Single
Ambig)
&rst
ixpk= 2209, nxpk= 10, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 7.19, r4=
7.69,
igr1= 333, 334, 410, 411, 70,
&end
#
# 29 ALA HN 26 CYS HN 5.50 (# 2210:10 Unique
4.68, 4.75 A)
&rst
ixpk= 2210, nxpk= 10, iat= 379, 348, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:2211 26 CYS HN 5.50 (# 2211:10 Single
Ambig)
&rst
ixpk= 2211, nxpk= 10, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1= 318, 319,2117,
&end
#
# 27 ALA HA 26 CYS HN 5.50 (# 2212:10 Unique
5.32, 5.36 A)
&rst
ixpk= 2212, nxpk= 10, iat= 361, 348, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 25 LYS HB+ 27 ALA HN 5.50 (# 2213:10 Unique
4.97, 5.35 A)
&rst
ixpk= 2213, nxpk= 10, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 330, 331,
&end
#
# 0 AMB 10-2:2214 27 ALA HN 5.50 (# 2214:10 Single
Ambig)
&rst
ixpk= 2214, nxpk= 10, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 492, 493, 494, 496, 497, 498, 291, 292, 293, 295,
296, 297,
&end
#
# 0 AMB 10-2:2215 27 ALA HN 4.50 (# 2215:10 Single
Ambig)
&rst
ixpk= 2215, nxpk= 10, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1= 492, 493, 494, 496, 497, 498, 291, 292, 293, 295,
296, 297,
&end
#
# 0 AMB 10-2:2216 27 ALA HN 5.50 (# 2216:10 Single
Ambig)
&rst
ixpk= 2216, nxpk= 10, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1= 490, 396, 397,
&end
#
# 0 AMB 10-2:2217 27 ALA HN 5.50 (# 2217:10 Single
Ambig)
&rst
ixpk= 2217, nxpk= 10, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 315, 316, 315, 316, 525, 526,
&end
#
# 28 ALA HA 27 ALA HN 5.50 (# 2219:10 Unique
5.35, 5.37 A)
&rst
ixpk= 2219, nxpk= 10, iat= 371, 359, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 30 PRO HA 27 ALA HN 5.50 (# 2221:10 Unique
5.27, 5.46 A)
&rst
ixpk= 2221, nxpk= 10, iat= 399, 359, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 29 ALA HN 27 ALA HN 4.50 (# 2223:10 Unique
4.07, 4.13 A)
&rst
ixpk= 2223, nxpk= 10, iat= 379, 359, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 25 LYS HN 27 ALA HN 4.50 (# 2224:10 Unique
3.89, 4.04 A)
&rst
ixpk= 2224, nxpk= 10, iat= 326, 359, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 83 GLU HA 85 PHE HN 4.50 (# 2225:10 Unique
4.41, 4.49 A)
&rst
ixpk= 2225, nxpk= 10, iat=1197,1227, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 82 ALA HA 85 PHE HN 5.50 (# 2226:10 Unique
4.38, 4.54 A)
&rst
ixpk= 2226, nxpk= 10, iat=1187,1227, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 81 ILE HA 85 PHE HN 5.50 (# 2227:10 Unique
3.12, 3.28 A)
&rst
ixpk= 2227, nxpk= 10, iat=1168,1227, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:2228 85 PHE HN 5.50 (# 2228:10 Single
Ambig)
&rst
ixpk= 2228, nxpk= 10, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1251,1252,1271,1272,1158,1159,
&end
#
# 81 ILE QG2 85 PHE HN 5.50 (# 2229:10 Unique
3.86, 4.72 A)
&rst
ixpk= 2229, nxpk= 10, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1172,1173,1174,
&end
#
# 46 ASP HB+ 45 ASN HN 5.50 (# 2230:10 Unique
4.40, 5.33 A)
&rst
ixpk= 2230, nxpk= 10, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 615, 616,
&end
#
# 0 AMB 10-2:2233 86 MET HN 2.80 (# 2233:10 Single
Ambig)
&rst
ixpk= 2233, nxpk= 10, iat= -1,1247, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1=1251,1252,1268,1269,
&end
#
# 95 ASN HN 98 ILE HN 5.50 (# 2234:10 Unique
4.74, 5.10 A)
&rst
ixpk= 2234, nxpk= 10, iat=1390,1444, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 105 ILE HN 103 GLU HN 4.50 (# 2235:10 Unique
3.90, 4.28 A)
&rst
ixpk= 2235, nxpk= 10, iat=1560,1533, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 10-2:2237 48 VAL HN 5.50 (# 2237:10 Single
Ambig)
&rst
ixpk= 2237, nxpk= 10, iat= -1, 642, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 660, 584,
&end
#
# 46 ASP HA 48 VAL HN 5.50 (# 2238:10 Unique
3.58, 3.83 A)
&rst
ixpk= 2238, nxpk= 10, iat= 613, 642, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:2240 21 LEU HN 5.50 (# 2240:10 Single
Ambig)
&rst
ixpk= 2240, nxpk= 10, iat= -1, 263, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 242, 149,
&end
#
# 0 AMB 10-2:2241 83 GLU HN 3.50 (# 2241:10 Single
Ambig)
&rst
ixpk= 2241, nxpk= 10, iat= -1,1195, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1185,1227,
&end
#
# 81 ILE HA 83 GLU HN 5.50 (# 2242:10 Unique
3.96, 4.01 A)
&rst
ixpk= 2242, nxpk= 10, iat=1168,1195, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 84 MET HA 83 GLU HN 5.50 (# 2243:10 Unique
4.58, 4.70 A)
&rst
ixpk= 2243, nxpk= 10, iat=1212,1195, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 84 MET HG+ 83 GLU HN 5.50 (# 2244:10 Unique
3.59, 4.38 A)
&rst
ixpk= 2244, nxpk= 10, iat= -1,1195, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1217,1218,
&end
#
# 0 AMB 10-2:2245 83 GLU HN 5.50 (# 2245:10 Single
Ambig)
&rst
ixpk= 2245, nxpk= 10, iat= -1,1195, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1158,1159,1394,1395,
&end
#
# 81 ILE HB 83 GLU HN 5.50 (# 2246:10 Unique
5.03, 5.12 A)
&rst
ixpk= 2246, nxpk= 10, iat=1170,1195, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 81 ILE QG2 83 GLU HN 5.50 (# 2247:10 Unique
5.06, 5.90 A)
&rst
ixpk= 2247, nxpk= 10, iat= -1,1195, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1172,1173,1174,
&end
#
# 24 GLU HN 22 LEU HN 4.50 (# 2248:10 Unique
4.09, 4.19 A)
&rst
ixpk= 2248, nxpk= 10, iat= 311, 282, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 25 LYS HN 22 LEU HN 5.50 (# 2249:10 Unique
4.83, 4.87 A)
&rst
ixpk= 2249, nxpk= 10, iat= 326, 282, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:2250 22 LEU HN 4.50 (# 2250:10 Single
Ambig)
&rst
ixpk= 2250, nxpk= 10, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 259, 313,
&end
#
# 0 AMB 10-2:2251 22 LEU HN 5.50 (# 2251:10 Single
Ambig)
&rst
ixpk= 2251, nxpk= 10, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 7.19, r4=
7.69,
igr1= 234, 227, 228, 227, 228,
&end
#
# 19 GLY HA- 22 LEU HN 4.50 (# 2252:10 Unique
3.26, 3.98 A)
&rst
ixpk= 2252, nxpk= 10, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 244, 245,
&end
#
# 0 AMB 10-2:2253 22 LEU HN 5.50 (# 2253:10 Single
Ambig)
&rst
ixpk= 2253, nxpk= 10, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 105, 106, 318, 319,
&end
#
# 0 AMB 10-2:2254 22 LEU HN 5.50 (# 2254:10 Single
Ambig)
&rst
ixpk= 2254, nxpk= 10, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1991, 318, 319,
&end
#
# 124 MET ME 22 LEU HN 5.50 (# 2255:10 Unique
4.90, 5.99 A)
&rst
ixpk= 2255, nxpk= 10, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1873,1874,1875,
&end
#
# 20 PRO HB- 22 LEU HN 5.50 (# 2256:10 Unique
5.08, 5.58 A)
&rst
ixpk= 2256, nxpk= 10, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 256, 257,
&end
#
# 61 VAL MGX 22 LEU HN 5.50 (# 2258:10 Unique
5.24, 6.80 A)
&rst
ixpk= 2258, nxpk= 10, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 884, 885, 886, 888, 889, 890,
&end
#
# 19 GLY HA+ 23 ALA HN 5.50 (# 2259:10 Unique
3.89, 4.38 A)
&rst
ixpk= 2259, nxpk= 10, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 244, 245,
&end
#
# 61 VAL MGX 23 ALA HN 5.50 (# 2260:10 Unique
6.50, 7.53 A)
&rst
ixpk= 2260, nxpk= 10, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 884, 885, 886, 888, 889, 890,
&end
#
# 0 AMB 10-2:2261 23 ALA HN 4.50 (# 2261:10 Single
Ambig)
&rst
ixpk= 2261, nxpk= 10, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 7.28, r4=
7.78,
igr1= 291, 292, 293, 295, 296, 297,1993,1994,1995,1997,
1998,1999, 492, 493, 494, 496, 497, 498,
&end
#
# 20 PRO HB- 23 ALA HN 5.50 (# 2262:10 Unique
5.19, 5.51 A)
&rst
ixpk= 2262, nxpk= 10, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 256, 257,
&end
#
# 21 LEU HB+ 23 ALA HN 5.50 (# 2263:10 Unique
5.11, 5.55 A)
&rst
ixpk= 2263, nxpk= 10, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 267, 268,
&end
#
# 0 AMB 10-2:2264 23 ALA HN 4.50 (# 2264:10 Single
Ambig)
&rst
ixpk= 2264, nxpk= 10, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1= 315, 316, 315, 316, 525, 526,
&end
#
# 7 CYS HB- 23 ALA HN 4.50 (# 2265:10 Unique
3.12, 3.78 A)
&rst
ixpk= 2265, nxpk= 10, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 105, 106,
&end
#
# 7 CYS HB+ 23 ALA HN 5.50 (# 2267:10 Unique
3.12, 3.78 A)
&rst
ixpk= 2267, nxpk= 10, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 105, 106,
&end
#
# 19 GLY HA- 23 ALA HN 5.50 (# 2268:10 Unique
3.89, 4.38 A)
&rst
ixpk= 2268, nxpk= 10, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 244, 245,
&end
#
# 21 LEU HA 23 ALA HN 5.50 (# 2269:10 Unique
4.36, 4.52 A)
&rst
ixpk= 2269, nxpk= 10, iat= 265, 301, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 7 CYS HA 23 ALA HN 5.50 (# 2270:10 Unique
4.91, 5.20 A)
&rst
ixpk= 2270, nxpk= 10, iat= 103, 301, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 25 LYS HN 23 ALA HN 5.50 (# 2271:10 Unique
4.19, 4.24 A)
&rst
ixpk= 2271, nxpk= 10, iat= 326, 301, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:2272 10 ASN HN 5.50 (# 2272:10 Single
Ambig)
&rst
ixpk= 2272, nxpk= 10, iat= -1, 135, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 149, 242,
&end
#
# 16 ASP HN 10 ASN HN 5.50 (# 2273:10 Unique
5.26, 5.45 A)
&rst
ixpk= 2273, nxpk= 10, iat= 213, 135, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:2274 10 ASN HN 5.50 (# 2274:10 Single
Ambig)
&rst
ixpk= 2274, nxpk= 10, iat= -1, 135, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 253, 254, 184, 185,
&end
#
# 0 AMB 10-2:2275 54 ARG HN 5.50 (# 2275:10 Single
Ambig)
&rst
ixpk= 2275, nxpk= 10, iat= -1, 745, r1= 1.30, r2= 1.80, r3= 7.19, r4=
7.69,
igr1=1573,1574,1575, 678, 679,
&end
#
# 0 AMB 10-2:2276 54 ARG HN 4.50 (# 2276:10 Single
Ambig)
&rst
ixpk= 2276, nxpk= 10, iat= -1, 745, r1= 1.30, r2= 1.80, r3= 7.28, r4=
7.78,
igr1= 735, 736, 737, 739, 740, 741, 735, 736, 737, 739,
740, 741, 53, 54, 55, 57, 58, 59,
&end
#
# 53 LEU HB- 54 ARG HN 4.50 (# 2277:10 Unique
2.80, 3.66 A)
&rst
ixpk= 2277, nxpk= 10, iat= -1, 745, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 730, 731,
&end
#
# 85 PHE HD 84 MET HN 5.50 (# 2278:10 Unique
4.62, 6.45 A)
&rst
ixpk= 2278, nxpk= 10, iat= -1,1210, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1235,1243,
&end
#
# 80 ASP HA 84 MET HN 5.50 (# 2279:10 Unique
4.04, 4.26 A)
&rst
ixpk= 2279, nxpk= 10, iat=1156,1210, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:2280 84 MET HN 5.50 (# 2280:10 Single
Ambig)
&rst
ixpk= 2280, nxpk= 10, iat= -1,1210, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1229,1266,2293,
&end
#
# 81 ILE HA 84 MET HN 4.50 (# 2281:10 Unique
3.35, 3.49 A)
&rst
ixpk= 2281, nxpk= 10, iat=1168,1210, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 85 PHE HB- 84 MET HN 5.50 (# 2282:10 Unique
4.46, 5.30 A)
&rst
ixpk= 2282, nxpk= 10, iat= -1,1210, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1231,1232,
&end
#
# 0 AMB 10-2:2283 84 MET HN 5.50 (# 2283:10 Single
Ambig)
&rst
ixpk= 2283, nxpk= 10, iat= -1,1210, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1158,1159,1394,1395,
&end
#
# 83 GLU HB- 84 MET HN 3.50 (# 2284:10 Unique
2.53, 3.22 A)
&rst
ixpk= 2284, nxpk= 10, iat= -1,1210, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1199,1200,
&end
#
# 134 THR HN 131 ALA HN 5.50 (# 2285:10 Unique
4.64, 4.75 A)
&rst
ixpk= 2285, nxpk= 10, iat=2018,1977, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 128 ILE HN 131 ALA HN 5.50 (# 2286:10 Unique
4.58, 4.67 A)
&rst
ixpk= 2286, nxpk= 10, iat=1924,1977, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 12 MET HB- 10 ASN HD2- 5.50 (# 2287:10 Unique
5.22, 6.40 A)
&rst
ixpk= 2287, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 164, 165,
igr2= 144, 145,
&end
#
# 13 MET HB+ 10 ASN HD2- 3.50 (# 2288:10 Unique
2.44, 3.66 A)
&rst
ixpk= 2288, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 181, 182,
igr2= 144, 145,
&end
#
# 41 SER HB- 10 ASN HD2- 5.50 (# 2289:10 Unique
2.98, 5.23 A)
&rst
ixpk= 2289, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 551, 552,
igr2= 144, 145,
&end
#
# 41 SER HB+ 10 ASN HD2- 5.50 (# 2290:10 Unique
2.98, 5.23 A)
&rst
ixpk= 2290, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 551, 552,
igr2= 144, 145,
&end
#
# 44 GLU HG- 45 ASN HD2+ 5.50 (# 2291:10 Unique
2.89, 6.46 A)
&rst
ixpk= 2291, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 589, 590,
igr2= 606, 607,
&end
#
# 0 AMB 10-2:2292 49 ALA HN 5.50 (# 2292:10 Single
Ambig)
&rst
ixpk= 2292, nxpk= 10, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 7.19, r4=
7.69,
igr1= 678, 679, 681, 682, 683,
&end
#
# 46 ASP HB- 49 ALA HN 5.50 (# 2293:10 Unique
4.11, 4.86 A)
&rst
ixpk= 2293, nxpk= 10, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 615, 616,
&end
#
# 47 ILE HN 49 ALA HN 5.50 (# 2294:10 Unique
4.21, 4.30 A)
&rst
ixpk= 2294, nxpk= 10, iat= 623, 658, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 51 ARG HN 49 ALA HN 5.50 (# 2295:10 Unique
3.94, 4.04 A)
&rst
ixpk= 2295, nxpk= 10, iat= 687, 658, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:2296 133 GLU HN 5.50 (# 2296:10 Single
Ambig)
&rst
ixpk= 2296, nxpk= 10, iat= -1,2003, r1= 1.30, r2= 1.80, r3= 7.19, r4=
7.69,
igr1=1695,1696,1697,1045,1046,
&end
#
# 0 AMB 10-2:2297 133 GLU HN 4.50 (# 2297:10 Single
Ambig)
&rst
ixpk= 2297, nxpk= 10, iat= -1,2003, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1= 272, 273, 274, 276, 277, 278,2038,2039,2040,2042,
2043,2044,
&end
#
# 0 AMB 10-2:2298 133 GLU HN 5.50 (# 2298:10 Single
Ambig)
&rst
ixpk= 2298, nxpk= 10, iat= -1,2003, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 336, 337,1950,1951, 286, 287,
&end
#
# 0 AMB 10-2:2299 133 GLU HN 5.50 (# 2299:10 Single
Ambig)
&rst
ixpk= 2299, nxpk= 10, iat= -1,2003, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 270, 267, 268,2024,2025,2026,
&end
#
# 0 AMB 10-2:2300 133 GLU HN 5.50 (# 2300:10 Single
Ambig)
&rst
ixpk= 2300, nxpk= 10, iat= -1,2003, r1= 1.30, r2= 1.80, r3= 7.19, r4=
7.69,
igr1=1981,1982,1983,1953,1954,
&end
#
# 0 AMB 10-2:2302 133 GLU HN 5.50 (# 2302:10 Single
Ambig)
&rst
ixpk= 2302, nxpk= 10, iat= -1,2003, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=1969,1970,1969,1970,2076,2077,1956,1957,
&end
#
# 129 LYS HA 133 GLU HN 5.50 (# 2303:10 Unique
3.97, 4.09 A)
&rst
ixpk= 2303, nxpk= 10, iat=1945,2003, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:2304 133 GLU HN 5.50 (# 2304:10 Single
Ambig)
&rst
ixpk= 2304, nxpk= 10, iat= -1,2003, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=2020,2050,
&end
#
# 134 THR HB 133 GLU HN 5.50 (# 2305:10 Unique
4.35, 4.48 A)
&rst
ixpk= 2305, nxpk= 10, iat=2022,2003, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 135 VAL HN 133 GLU HN 4.50 (# 2306:10 Unique
4.18, 4.37 A)
&rst
ixpk= 2306, nxpk= 10, iat=2032,2003, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 136 TYR HN 133 GLU HN 5.50 (# 2307:10 Unique
4.76, 4.80 A)
&rst
ixpk= 2307, nxpk= 10, iat=2048,2003, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 130 ASP HN 133 GLU HN 5.50 (# 2308:10 Unique
4.83, 4.85 A)
&rst
ixpk= 2308, nxpk= 10, iat=1965,2003, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:2309 100 GLN HN 4.50 (# 2309:10 Single
Ambig)
&rst
ixpk= 2309, nxpk= 10, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1444,1533,
&end
#
# 0 AMB 10-2:2310 100 GLN HN 5.50 (# 2310:10 Single
Ambig)
&rst
ixpk= 2310, nxpk= 10, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 700,1425,
&end
#
# 100 GLN HE2- 100 GLN HN 5.50 (# 2311:10 Unique
2.01, 2.99 A)
&rst
ixpk= 2311, nxpk= 10, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1487,1488,
&end
#
# 0 AMB 10-2:2312 100 GLN HN 4.50 (# 2312:10 Single
Ambig)
&rst
ixpk= 2312, nxpk= 10, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1515,1516,1448, 627,
&end
#
# 77 ASP HN 150 GLN HE2- 5.50 (# 2313:10 Unique
2.60, 3.33 A)
&rst
ixpk= 2313, nxpk= 10, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2267,2268,
&end
#
# 99 ASP HB+ 101 LEU HN 5.50 (# 2314:10 Unique
4.84, 5.30 A)
&rst
ixpk= 2314, nxpk= 10, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1467,1468,
&end
#
# 0 AMB 10-2:2315 101 LEU HN 5.50 (# 2315:10 Single
Ambig)
&rst
ixpk= 2315, nxpk= 10, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1518,1519, 694, 695,1570,1571,
&end
#
# 0 AMB 10-2:2316 129 LYS HN 5.50 (# 2316:10 Single
Ambig)
&rst
ixpk= 2316, nxpk= 10, iat= -1,1943, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1917,1918,1897,1898,
&end
#
# 132 VAL HN 129 LYS HN 5.50 (# 2317:10 Unique
4.78, 4.83 A)
&rst
ixpk= 2317, nxpk= 10, iat=1987,1943, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 70 PRO HD+ 69 ASN HD2- 5.50 (# 2318:10 Unique
2.80, 3.87 A)
&rst
ixpk= 2318, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1000,1001,
igr2= 994, 995,
&end
#
# 75 ILE HG1- 145 ASN HD2- 5.50 (# 2319:10 Unique
2.51, 3.44 A)
&rst
ixpk= 2319, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1088,1089,
igr2=2206,2207,
&end
#
# 68 LEU HN 114 GLN HE2+ 5.50 (# 2320:10 Unique
3.69, 4.12 A)
&rst
ixpk= 2320, nxpk= 10, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1713,1714,
&end
#
# 67 GLY HN 114 GLN HE2+ 5.50 (# 2321:10 Unique
2.10, 3.12 A)
&rst
ixpk= 2321, nxpk= 10, iat= 959, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1713,1714,
&end
#
# 26 CYS HB- 29 ALA HN 5.50 (# 2323:10 Unique
4.95, 5.29 A)
&rst
ixpk= 2323, nxpk= 10, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 352, 353,
&end
#
# 30 PRO HB+ 29 ALA HN 5.50 (# 2324:10 Unique
4.97, 5.83 A)
&rst
ixpk= 2324, nxpk= 10, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 396, 397,
&end
#
# 27 ALA HA 29 ALA HN 4.50 (# 2325:10 Unique
4.17, 4.35 A)
&rst
ixpk= 2325, nxpk= 10, iat= 361, 379, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 30 PRO HA 29 ALA HN 4.50 (# 2326:10 Unique
4.08, 4.24 A)
&rst
ixpk= 2326, nxpk= 10, iat= 399, 379, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 10 ASN HN 16 ASP HN 5.50 (# 2327:10 Unique
5.26, 5.45 A)
&rst
ixpk= 2327, nxpk= 10, iat= 135, 213, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 13 MET HN 16 ASP HN 5.50 (# 2328:10 Unique
4.29, 4.57 A)
&rst
ixpk= 2328, nxpk= 10, iat= 177, 213, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 119 GLY HN 16 ASP HN 5.50 (# 2330:10 Unique
4.31, 4.65 A)
&rst
ixpk= 2330, nxpk= 10, iat=1779, 213, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:2331 16 ASP HN 5.50 (# 2331:10 Single
Ambig)
&rst
ixpk= 2331, nxpk= 10, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1728, 130, 131,
&end
#
# 118 VAL HB 16 ASP HN 5.50 (# 2332:10 Unique
4.46, 5.31 A)
&rst
ixpk= 2332, nxpk= 10, iat=1767, 213, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 18 ALA MB 16 ASP HN 5.50 (# 2333:10 Unique
5.76, 6.74 A)
&rst
ixpk= 2333, nxpk= 10, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1= 236, 237, 238,
&end
#
# 101 LEU HB- 104 ASP HN 5.50 (# 2334:10 Unique
4.93, 5.44 A)
&rst
ixpk= 2334, nxpk= 10, iat= -1,1548, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1496,1497,
&end
#
# 102 LYS HN 104 ASP HN 5.50 (# 2335:10 Unique
3.92, 4.24 A)
&rst
ixpk= 2335, nxpk= 10, iat=1511,1548, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 33 ASN HN 33 ASN HD2- 5.50 (# 2336:10 Unique
2.48, 5.35 A)
&rst
ixpk= 2336, nxpk= 10, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 441, 442,
&end
#
# 0 AMB 10-2:2337 33 ASN HD2- 5.50 (# 2337:10 Single
Ambig)
&rst
ixpk= 2337, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4=
8.57,
igr1= 448, 427, 428, 427, 428,
igr2= 441, 442,
&end
#
# 97 LEU HA 96 TYR HN 5.50 (# 2338:10 Unique
5.27, 5.38 A)
&rst
ixpk= 2338, nxpk= 10, iat=1427,1404, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 95 ASN HB+ 96 TYR HN 4.50 (# 2339:10 Unique
3.01, 4.17 A)
&rst
ixpk= 2339, nxpk= 10, iat= -1,1404, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1394,1395,
&end
#
# 88 THR MG2 91 ASN HD2- 5.50 (# 2340:10 Unique
2.35, 4.26 A)
&rst
ixpk= 2340, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1287,1288,1289,
igr2=1335,1336,
&end
#
# 64 THR MG2 91 ASN HD2- 5.50 (# 2341:10 Unique
4.01, 6.12 A)
&rst
ixpk= 2341, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 922, 923, 924,
igr2=1335,1336,
&end
#
# 14 GLY HN 122 TYR HN 4.50 (# 2342:10 Unique
2.75, 3.15 A)
&rst
ixpk= 2342, nxpk= 10, iat= 194,1827, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 10-2:2343 122 TYR HN 5.50 (# 2343:10 Single
Ambig)
&rst
ixpk= 2343, nxpk= 10, iat= -1,1827, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1786, 160,
&end
#
# 117 ILE QD1 122 TYR HN 5.50 (# 2344:10 Unique
5.23, 5.71 A)
&rst
ixpk= 2344, nxpk= 10, iat= -1,1827, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1757,1758,1759,
&end
#
# 0 AMB 10-2:2345 97 LEU HN 4.50 (# 2345:10 Single
Ambig)
&rst
ixpk= 2345, nxpk= 10, iat= -1,1425, r1= 1.30, r2= 1.80, r3= 5.88, r4=
6.38,
igr1=1454,1455, 636, 637, 638,
&end
#
# 0 AMB 10-2:2346 113 ILE HN 4.50 (# 2346:10 Single
Ambig)
&rst
ixpk= 2346, nxpk= 10, iat= -1,1682, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1= 922, 923, 924,1930,1931,1932,
&end
#
# 0 AMB 10-2:2347 97 LEU HN 4.50 (# 2347:10 Single
Ambig)
&rst
ixpk= 2347, nxpk= 10, iat= -1,1425, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1=1482,1483,1361,1362,1361,1362,1364,1365,1479,1480,
1479,1480,
&end
#
# 0 AMB 10-2:2349 97 LEU HN 5.50 (# 2349:10 Single
Ambig)
&rst
ixpk= 2349, nxpk= 10, iat= -1,1425, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1467,1468,1394,1395,
&end
#
# 0 AMB 10-2:2350 113 ILE HN 5.50 (# 2350:10 Single
Ambig)
&rst
ixpk= 2350, nxpk= 10, iat= -1,1682, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1= 920,1719,1720,
&end
#
# 95 ASN HA 97 LEU HN 5.50 (# 2351:10 Unique
3.64, 4.00 A)
&rst
ixpk= 2351, nxpk= 10, iat=1392,1425, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 96 TYR HA 97 LEU HN 4.50 (# 2352:10 Unique
3.51, 3.58 A)
&rst
ixpk= 2352, nxpk= 10, iat=1406,1425, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 113 ILE HA 113 ILE HN 4.50 (# 2353:10 Unique
2.97, 2.98 A)
&rst
ixpk= 2353, nxpk= 10, iat=1684,1682, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 114 GLN HA 113 ILE HN 5.50 (# 2354:10 Unique
4.79, 4.85 A)
&rst
ixpk= 2354, nxpk= 10, iat=1703,1682, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:2355 113 ILE HN 5.50 (# 2355:10 Single
Ambig)
&rst
ixpk= 2355, nxpk= 10, iat= -1,1682, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1037, 880,
&end
#
# 0 AMB 10-2:2356 113 ILE HN 5.50 (# 2356:10 Single
Ambig)
&rst
ixpk= 2356, nxpk= 10, iat= -1,1682, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1701,1054,
&end
#
# 112 GLY HN 113 ILE HN 5.50 (# 2357:10 Unique
4.56, 4.58 A)
&rst
ixpk= 2357, nxpk= 10, iat=1675,1682, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 135 VAL MGY 139 LEU HN 5.50 (# 2358:10 Unique
4.53, 6.44 A)
&rst
ixpk= 2358, nxpk= 10, iat= -1,2110, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=2038,2039,2040,2042,2043,2044,
&end
#
# 137 GLN HN 139 LEU HN 5.50 (# 2359:10 Unique
4.51, 4.61 A)
&rst
ixpk= 2359, nxpk= 10, iat=2069,2110, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 136 TYR HN 139 LEU HN 5.50 (# 2360:10 Unique
5.00, 5.27 A)
&rst
ixpk= 2360, nxpk= 10, iat=2048,2110, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 34 TRP HE1 139 LEU HN 5.50 (# 2361:10 Unique
5.18, 5.52 A)
&rst
ixpk= 2361, nxpk= 10, iat= 456,2110, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 58 LEU HN 57 ARG HN 4.50 (# 2362:10 Unique
4.21, 4.26 A)
&rst
ixpk= 2362, nxpk= 10, iat= 821, 797, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 57 ARG HE 57 ARG HN 5.50 (# 2363:10 Unique
4.16, 4.57 A)
&rst
ixpk= 2363, nxpk= 10, iat= 810, 797, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 2 THR HB 57 ARG HN 5.50 (# 2364:10 Unique
4.53, 4.59 A)
&rst
ixpk= 2364, nxpk= 10, iat= 25, 797, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 57 ARG HD+ 57 ARG HN 5.50 (# 2365:10 Unique
5.40, 5.87 A)
&rst
ixpk= 2365, nxpk= 10, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 807, 808,
&end
#
# 0 AMB 10-2:2366 57 ARG HN 4.50 (# 2366:10 Single
Ambig)
&rst
ixpk= 2366, nxpk= 10, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 804, 805, 804, 805,
&end
#
# 2 THR MG2 57 ARG HN 5.50 (# 2367:10 Unique
4.98, 6.25 A)
&rst
ixpk= 2367, nxpk= 10, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1= 27, 28, 29,
&end
#
# 0 AMB 10-2:2368 57 ARG HN 4.50 (# 2368:10 Single
Ambig)
&rst
ixpk= 2368, nxpk= 10, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1= 53, 54, 55, 57, 58, 59,1570,1571,
&end
#
# 4 VAL MGX 57 ARG HN 5.50 (# 2369:10 Unique
4.06, 6.35 A)
&rst
ixpk= 2369, nxpk= 10, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 53, 54, 55, 57, 58, 59,
&end
#
# 105 ILE QG2 57 ARG HN 4.50 (# 2370:10 Unique
3.19, 4.12 A)
&rst
ixpk= 2370, nxpk= 10, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1=1566,1567,1568,
&end
#
# 0 AMB 10-2:2371 57 ARG HN 5.50 (# 2371:10 Single
Ambig)
&rst
ixpk= 2371, nxpk= 10, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1= 770, 771, 747,
&end
#
# 26 CYS HB- 28 ALA HN 5.50 (# 2373:10 Unique
5.11, 5.40 A)
&rst
ixpk= 2373, nxpk= 10, iat= -1, 369, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 352, 353,
&end
#
# 26 CYS HB+ 28 ALA HN 5.50 (# 2374:10 Unique
5.11, 5.40 A)
&rst
ixpk= 2374, nxpk= 10, iat= -1, 369, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 352, 353,
&end
#
# 52 GLU HG- 53 LEU HN 5.50 (# 2375:10 Unique
2.66, 4.96 A)
&rst
ixpk= 2375, nxpk= 10, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 718, 719,
&end
#
# 0 AMB 10-2:2376 0 AMB 10-1:2376 5.50 (# 2376:10 Double
Ambig)
&rst
ixpk= 2376, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4=
8.57,
igr1= 27, 28, 29, 333, 334,
igr2= 726, 369,
&end
#
# 52 GLU HG+ 53 LEU HN 4.50 (# 2377:10 Unique
2.66, 4.96 A)
&rst
ixpk= 2377, nxpk= 10, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 718, 719,
&end
#
# 0 AMB 10-2:2378 13 MET HN 5.50 (# 2378:10 Single
Ambig)
&rst
ixpk= 2378, nxpk= 10, iat= -1, 177, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 149, 171, 172, 173,
&end
#
# 121 TYR HN 13 MET HN 5.50 (# 2379:10 Unique
4.72, 4.93 A)
&rst
ixpk= 2379, nxpk= 10, iat=1806, 177, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 10 ASN HD2+ 13 MET HN 5.50 (# 2380:10 Unique
4.32, 4.92 A)
&rst
ixpk= 2380, nxpk= 10, iat= -1, 177, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 144, 145,
&end
#
# 0 AMB 10-2:2381 13 MET HN 5.50 (# 2381:10 Single
Ambig)
&rst
ixpk= 2381, nxpk= 10, iat= -1, 177, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 227, 228, 227, 228,
&end
#
# 16 ASP HB+ 13 MET HN 3.50 (# 2382:10 Unique
3.44, 4.35 A)
&rst
ixpk= 2382, nxpk= 10, iat= -1, 177, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 217, 218,
&end
#
# 79 ASP HN 81 ILE HN 5.50 (# 2383:10 Unique
3.92, 3.96 A)
&rst
ixpk= 2383, nxpk= 10, iat=1142,1166, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:2384 0 AMB 10-1:2384 4.50 (# 2384:10 Double
Ambig)
&rst
ixpk= 2384, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1= 658, 606, 607,2267,2268,
igr2= 623,1166,
&end
#
# 79 ASP HA 81 ILE HN 5.50 (# 2385:10 Unique
4.54, 4.60 A)
&rst
ixpk= 2385, nxpk= 10, iat=1144,1166, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 77 ASP HB+ 81 ILE HN 5.50 (# 2386:10 Unique
4.61, 5.36 A)
&rst
ixpk= 2386, nxpk= 10, iat= -1,1166, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1120,1121,
&end
#
# 0 AMB 10-2:2387 0 AMB 10-1:2387 3.50 (# 2387:10 Double
Ambig)
&rst
ixpk= 2387, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1=1158,1159, 615, 616,
igr2=1166, 623,
&end
#
# 81 ILE HB 81 ILE HN 2.80 (# 2388:10 Unique
2.23, 2.38 A)
&rst
ixpk= 2388, nxpk= 10, iat=1170,1166, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 58 LEU HN 107 GLU HN 4.50 (# 2389:10 Unique
3.64, 3.72 A)
&rst
ixpk= 2389, nxpk= 10, iat= 821,1586, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 108 VAL HA 107 GLU HN 5.50 (# 2390:10 Unique
4.64, 4.82 A)
&rst
ixpk= 2390, nxpk= 10, iat=1603,1586, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 56 THR HA 107 GLU HN 5.50 (# 2391:10 Unique
4.71, 4.95 A)
&rst
ixpk= 2391, nxpk= 10, iat= 785,1586, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 57 ARG HB- 107 GLU HN 4.50 (# 2392:10 Unique
2.67, 3.95 A)
&rst
ixpk= 2392, nxpk= 10, iat= -1,1586, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 801, 802,
&end
#
# 56 THR MG2 107 GLU HN 5.50 (# 2394:10 Unique
4.16, 5.41 A)
&rst
ixpk= 2394, nxpk= 10, iat= -1,1586, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1= 789, 790, 791,
&end
#
# 109 ILE QD1 107 GLU HN 5.50 (# 2395:10 Unique
5.01, 6.38 A)
&rst
ixpk= 2395, nxpk= 10, iat= -1,1586, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1630,1631,1632,
&end
#
# 105 ILE HG1+ 107 GLU HN 5.50 (# 2396:10 Unique
5.50, 6.07 A)
&rst
ixpk= 2396, nxpk= 10, iat= -1,1586, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1570,1571,
&end
#
# 34 TRP HE1 142 TRP HN 5.50 (# 2397:10 Unique
3.12, 3.54 A)
&rst
ixpk= 2397, nxpk= 10, iat= 456,2151, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 145 ASN HA 148 PHE HN 5.50 (# 2398:10 Unique
4.20, 4.47 A)
&rst
ixpk= 2398, nxpk= 10, iat=2199,2225, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:2399 0 AMB 10-1:2399 5.50 (# 2399:10 Double
Ambig)
&rst
ixpk= 2399, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2088,2247,
igr2=2151,2225,
&end
#
# 0 AMB 10-2:2401 0 AMB 10-1:2401 4.50 (# 2401:10 Double
Ambig)
&rst
ixpk= 2401, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4=
7.64,
igr1=2090,2091,2090,2091,2133,2134,2090,2091,
igr2=2151,2225,
&end
#
# 146 GLY HA- 0 AMB 10-1:2402 4.50 (# 2402:10 Single
Ambig)
&rst
ixpk= 2402, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=2213,2214,
igr2=2225,2151,
&end
#
# 0 AMB 10-2:2403 0 AMB 10-1:2403 4.50 (# 2403:10 Double
Ambig)
&rst
ixpk= 2403, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1=2213,2214,2213,2214,
igr2=2225,2151,
&end
#
# 0 AMB 10-2:2405 0 AMB 10-1:2405 4.50 (# 2405:10 Double
Ambig)
&rst
ixpk= 2405, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4=
7.49,
igr1=1088,1089, 407, 408,2249,2250,2251,
igr2=2225,2151,
&end
#
# 139 LEU HB- 142 TRP HN 5.50 (# 2406:10 Unique
4.25, 5.18 A)
&rst
ixpk= 2406, nxpk= 10, iat= -1,2151, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=2114,2115,
&end
#
# 75 ILE QD1 148 PHE HN 4.50 (# 2408:10 Unique
3.79, 4.90 A)
&rst
ixpk= 2408, nxpk= 10, iat= -1,2225, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1=1091,1092,1093,
&end
#
# 0 AMB 10-2:2409 0 AMB 10-1:2409 5.50 (# 2409:10 Double
Ambig)
&rst
ixpk= 2409, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4=
9.84,
igr1=2119,2120,2121,2123,2124,2125,1665,1666,1667,1669,
1670,1671,
igr2=2151,2225,
&end
#
# 138 ARG HG- 0 AMB 10-1:2410 5.50 (# 2410:10 Single
Ambig)
&rst
ixpk= 2410, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2093,2094,
igr2=2151,2225,
&end
#
# 73 ILE QG2 148 PHE HN 5.50 (# 2411:10 Unique
5.74, 6.77 A)
&rst
ixpk= 2411, nxpk= 10, iat= -1,2225, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1041,1042,1043,
&end
#
# 139 LEU MDY 142 TRP HN 5.50 (# 2412:10 Unique
4.61, 6.39 A)
&rst
ixpk= 2412, nxpk= 10, iat= -1,2151, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=2119,2120,2121,2123,2124,2125,
&end
#
# 34 TRP HE1 34 TRP HN 5.50 (# 2413:10 Unique
4.40, 4.58 A)
&rst
ixpk= 2413, nxpk= 10, iat= 456, 446, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 95 ASN HA 96 TYR HN 5.50 (# 2415:10 Unique
3.46, 3.50 A)
&rst
ixpk= 2415, nxpk= 10, iat=1392,1404, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 139 LEU HB+ 34 TRP HN 5.50 (# 2416:10 Unique
3.86, 5.03 A)
&rst
ixpk= 2416, nxpk= 10, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=2114,2115,
&end
#
# 0 AMB 10-2:2418 18 ALA HN 5.50 (# 2418:10 Single
Ambig)
&rst
ixpk= 2418, nxpk= 10, iat= -1, 232, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 217, 218, 205, 206,1869,1870,
&end
#
# 20 PRO HD+ 18 ALA HN 5.50 (# 2419:10 Unique
3.36, 4.28 A)
&rst
ixpk= 2419, nxpk= 10, iat= -1, 232, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 250, 251,
&end
#
# 19 GLY HA- 18 ALA HN 5.50 (# 2420:10 Unique
5.03, 5.32 A)
&rst
ixpk= 2420, nxpk= 10, iat= -1, 232, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 244, 245,
&end
#
# 0 AMB 10-2:2421 18 ALA HN 5.50 (# 2421:10 Single
Ambig)
&rst
ixpk= 2421, nxpk= 10, iat= -1, 232, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1= 151, 153, 154,
&end
#
# 16 ASP HA 18 ALA HN 3.50 (# 2422:10 Unique
3.15, 3.33 A)
&rst
ixpk= 2422, nxpk= 10, iat= 215, 232, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 19 GLY HN 18 ALA HN 4.50 (# 2423:10 Unique
2.80, 2.92 A)
&rst
ixpk= 2423, nxpk= 10, iat= 242, 232, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 10-2:2424 18 ALA HN 5.50 (# 2424:10 Single
Ambig)
&rst
ixpk= 2424, nxpk= 10, iat= -1, 232, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1= 135, 263, 282,
&end
#
# 16 ASP HN 18 ALA HN 5.50 (# 2425:10 Unique
4.66, 4.90 A)
&rst
ixpk= 2425, nxpk= 10, iat= 213, 232, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:2426 18 ALA HN 5.50 (# 2426:10 Single
Ambig)
&rst
ixpk= 2426, nxpk= 10, iat= -1, 232, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 253, 254, 256, 257,1725,1726,
&end
#
# 77 ASP HN 150 GLN HE2+ 5.50 (# 2427:10 Unique
2.60, 3.33 A)
&rst
ixpk= 2427, nxpk= 10, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2267,2268,
&end
#
# 45 ASN HA 45 ASN HD2- 5.50 (# 2428:10 Unique
3.43, 4.52 A)
&rst
ixpk= 2428, nxpk= 10, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 606, 607,
&end
#
# 0 AMB 10-2:2429 0 AMB 10-1:2429 4.50 (# 2429:10 Double
Ambig)
&rst
ixpk= 2429, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4=
7.64,
igr1=2259,2260,2259,2260,
igr2=2267,2268,2267,2268,
&end
#
# 72 GLU HG- 69 ASN HD2+ 5.50 (# 2431:10 Unique
2.32, 5.02 A)
&rst
ixpk= 2431, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1027,1028,
igr2= 994, 995,
&end
#
# 126 GLN HB- 126 GLN HE2+ 4.50 (# 2432:10 Unique
3.55, 4.50 A)
&rst
ixpk= 2432, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1897,1898,
igr2=1905,1906,
&end
#
# 0 AMB 10-2:2433 0 AMB 10-1:2433 5.50 (# 2433:10 Double
Ambig)
&rst
ixpk= 2433, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4=
9.23,
igr1=1897,1898,1917,1918,
igr2=1905,1906,1905,1906,
&end
#
# 41 SER HB+ 10 ASN HD2+ 5.50 (# 2434:10 Unique
2.98, 5.23 A)
&rst
ixpk= 2434, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 551, 552,
igr2= 144, 145,
&end
#
# 130 ASP HN 128 ILE HN 5.50 (# 2435:10 Unique
4.12, 4.25 A)
&rst
ixpk= 2435, nxpk= 10, iat=1965,1924, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 131 ALA HN 128 ILE HN 5.50 (# 2436:10 Unique
4.58, 4.67 A)
&rst
ixpk= 2436, nxpk= 10, iat=1977,1924, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:2437 128 ILE HN 5.50 (# 2437:10 Single
Ambig)
&rst
ixpk= 2437, nxpk= 10, iat= -1,1924, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1881,1864,1967,
&end
#
# 71 GLY HA+ 128 ILE HN 5.50 (# 2438:10 Unique
4.13, 4.44 A)
&rst
ixpk= 2438, nxpk= 10, iat= -1,1924, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1015,1016,
&end
#
# 71 GLY HA- 128 ILE HN 5.50 (# 2439:10 Unique
4.13, 4.44 A)
&rst
ixpk= 2439, nxpk= 10, iat= -1,1924, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1015,1016,
&end
#
# 124 MET HG- 128 ILE HN 5.50 (# 2440:10 Unique
3.86, 4.47 A)
&rst
ixpk= 2440, nxpk= 10, iat= -1,1924, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1869,1870,
&end
#
# 0 AMB 10-2:2441 128 ILE HN 4.50 (# 2441:10 Single
Ambig)
&rst
ixpk= 2441, nxpk= 10, iat= -1,1924, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1=1869,1870,1969,1970,1969,1970, 205, 206,
&end
#
# 127 PRO HB+ 128 ILE HN 4.50 (# 2442:10 Unique
2.86, 3.72 A)
&rst
ixpk= 2442, nxpk= 10, iat= -1,1924, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1917,1918,
&end
#
# 127 PRO HG- 128 ILE HN 3.50 (# 2443:10 Unique
2.37, 3.47 A)
&rst
ixpk= 2443, nxpk= 10, iat= -1,1924, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1914,1915,
&end
#
# 129 LYS HB- 128 ILE HN 5.50 (# 2444:10 Unique
4.32, 5.43 A)
&rst
ixpk= 2444, nxpk= 10, iat= -1,1924, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1947,1948,
&end
#
# 125 THR HN 128 ILE HN 5.50 (# 2445:10 Unique
4.17, 4.38 A)
&rst
ixpk= 2445, nxpk= 10, iat=1879,1924, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:2446 100 GLN HE2- 5.50 (# 2446:10 Single
Ambig)
&rst
ixpk= 2446, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 629, 630, 631, 636, 637, 638,
igr2=1487,1488,
&end
#
# 99 ASP HB+ 100 GLN HE2- 5.50 (# 2447:10 Unique
2.19, 4.64 A)
&rst
ixpk= 2447, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1467,1468,
igr2=1487,1488,
&end
#
# 96 TYR HA 100 GLN HE2- 5.50 (# 2448:10 Unique
3.47, 4.86 A)
&rst
ixpk= 2448, nxpk= 10, iat=1406, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1487,1488,
&end
#
# 33 ASN HA 33 ASN HD2+ 5.50 (# 2449:10 Unique
2.22, 4.09 A)
&rst
ixpk= 2449, nxpk= 10, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 441, 442,
&end
#
# 0 AMB 10-2:2450 0 AMB 10-1:2450 5.50 (# 2450:10 Double
Ambig)
&rst
ixpk= 2450, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70,
r4=10.20,
igr1= 448, 427, 428, 427, 428,
igr2= 441, 442, 441, 442, 441, 442,
&end
#
# 64 THR MG2 91 ASN HD2+ 5.50 (# 2451:10 Unique
4.01, 6.12 A)
&rst
ixpk= 2451, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 922, 923, 924,
igr2=1335,1336,
&end
#
# 88 THR MG2 91 ASN HD2+ 5.50 (# 2452:10 Unique
2.35, 4.26 A)
&rst
ixpk= 2452, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1287,1288,1289,
igr2=1335,1336,
&end
#
# 0 AMB 10-2:2453 0 AMB 10-1:2453 5.50 (# 2453:10 Double
Ambig)
&rst
ixpk= 2453, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4=
9.84,
igr1= 629, 630, 631, 636, 637, 638,
igr2=1487,1488,1487,1488,
&end
#
# 99 ASP HB- 100 GLN HE2+ 5.50 (# 2454:10 Unique
2.19, 4.64 A)
&rst
ixpk= 2454, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1467,1468,
igr2=1487,1488,
&end
#
# 99 ASP HB+ 100 GLN HE2+ 5.50 (# 2455:10 Unique
2.19, 4.64 A)
&rst
ixpk= 2455, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1467,1468,
igr2=1487,1488,
&end
#
# 97 LEU HA 100 GLN HE2+ 5.50 (# 2457:10 Unique
2.10, 3.00 A)
&rst
ixpk= 2457, nxpk= 10, iat=1427, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1487,1488,
&end
#
# 100 GLN HA 100 GLN HE2+ 5.50 (# 2458:10 Unique
2.99, 4.56 A)
&rst
ixpk= 2458, nxpk= 10, iat=1477, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1487,1488,
&end
#
# 82 ALA MB 95 ASN HD2+ 4.50 (# 2459:10 Unique
3.17, 4.56 A)
&rst
ixpk= 2459, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1189,1190,1191,
igr2=1399,1400,
&end
#
# 0 AMB 10-2:2460 0 AMB 10-1:2460 5.50 (# 2460:10 Double
Ambig)
&rst
ixpk= 2460, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4=
9.23,
igr1=1361,1362,1361,1362,
igr2=1399,1400,1399,1400,
&end
#
# 85 PHE HB- 95 ASN HD2+ 5.50 (# 2461:10 Unique
5.97, 7.16 A)
&rst
ixpk= 2461, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1231,1232,
igr2=1399,1400,
&end
#
# 0 AMB 10-2:2462 0 AMB 10-1:2462 5.50 (# 2462:10 Double
Ambig)
&rst
ixpk= 2462, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=1187,1373,
igr2=1399,1400,1399,1400,
&end
#
# 95 ASN HN 95 ASN HD2+ 5.50 (# 2463:10 Unique
2.21, 3.22 A)
&rst
ixpk= 2463, nxpk= 10, iat=1390, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1399,1400,
&end
#
# 8 VAL HN 19 GLY HN 5.50 (# 2464:10 Unique
3.63, 3.70 A)
&rst
ixpk= 2464, nxpk= 10, iat= 112, 242, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:2465 19 GLY HN 5.50 (# 2465:10 Single
Ambig)
&rst
ixpk= 2465, nxpk= 10, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 263, 282, 135, 301,
&end
#
# 62 ASP HA 19 GLY HN 5.50 (# 2466:10 Unique
2.37, 2.54 A)
&rst
ixpk= 2466, nxpk= 10, iat= 896, 242, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:2467 19 GLY HN 5.50 (# 2467:10 Single
Ambig)
&rst
ixpk= 2467, nxpk= 10, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 103, 215,
&end
#
# 9 GLY HA- 19 GLY HN 5.50 (# 2469:10 Unique
2.84, 3.80 A)
&rst
ixpk= 2469, nxpk= 10, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 130, 131,
&end
#
# 20 PRO HB+ 19 GLY HN 5.50 (# 2470:10 Unique
5.01, 5.70 A)
&rst
ixpk= 2470, nxpk= 10, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 256, 257,
&end
#
# 0 AMB 10-2:2471 19 GLY HN 5.50 (# 2471:10 Single
Ambig)
&rst
ixpk= 2471, nxpk= 10, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 898, 899, 105, 106,
&end
#
# 20 PRO HG- 19 GLY HN 5.50 (# 2473:10 Unique
4.72, 5.00 A)
&rst
ixpk= 2473, nxpk= 10, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 253, 254,
&end
#
# 0 AMB 10-2:2474 19 GLY HN 5.50 (# 2474:10 Single
Ambig)
&rst
ixpk= 2474, nxpk= 10, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 7.93, r4=
8.43,
igr1= 267, 268, 910, 911, 912, 305, 306, 307, 270,
&end
#
# 0 AMB 10-2:2475 19 GLY HN 5.50 (# 2475:10 Single
Ambig)
&rst
ixpk= 2475, nxpk= 10, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 8.64, r4=
9.14,
igr1=1993,1994,1995,1997,1998,1999, 291, 292, 293, 295,
296, 297,1930,1931,1932,
&end
#
# 61 VAL MGX 19 GLY HN 5.50 (# 2476:10 Unique
3.89, 6.31 A)
&rst
ixpk= 2476, nxpk= 10, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 884, 885, 886, 888, 889, 890,
&end
#
# 63 ALA HA 63 ALA HN 3.50 (# 2477:10 Unique
2.91, 2.93 A)
&rst
ixpk= 2477, nxpk= 10, iat= 908, 906, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 152 ALA HN 74 ARG HE 5.50 (# 2478:10 Unique
4.33, 5.20 A)
&rst
ixpk= 2478, nxpk= 10, iat=2291,1067, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 74 ARG HA 74 ARG HE 5.50 (# 2479:10 Unique
4.65, 4.87 A)
&rst
ixpk= 2479, nxpk= 10, iat=1056,1067, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 151 LEU HA 74 ARG HE 5.50 (# 2480:10 Unique
3.24, 3.95 A)
&rst
ixpk= 2480, nxpk= 10, iat=2274,1067, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 74 ARG HD- 74 ARG HE 3.50 (# 2481:10 Unique
2.24, 2.62 A)
&rst
ixpk= 2481, nxpk= 10, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1064,1065,
&end
#
# 0 AMB 10-2:2482 74 ARG HE 5.50 (# 2482:10 Single
Ambig)
&rst
ixpk= 2482, nxpk= 10, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1058,1059, 970, 971,
&end
#
# 74 ARG HG+ 74 ARG HE 5.50 (# 2483:10 Unique
2.48, 3.14 A)
&rst
ixpk= 2483, nxpk= 10, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1061,1062,
&end
#
# 151 LEU MDY 74 ARG HE 5.50 (# 2484:10 Unique
4.08, 6.42 A)
&rst
ixpk= 2484, nxpk= 10, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=2281,2282,2283,2285,2286,2287,
&end
#
# 0 AMB 10-2:2485 74 ARG HE 4.50 (# 2485:10 Single
Ambig)
&rst
ixpk= 2485, nxpk= 10, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1= 975, 976, 977, 979, 980, 981, 975, 976, 977, 979,
980, 981,
&end
#
# 74 ARG HB+ 74 ARG HE 5.50 (# 2486:10 Unique
4.30, 4.71 A)
&rst
ixpk= 2486, nxpk= 10, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1058,1059,
&end
#
# 0 AMB 10-2:2487 51 ARG HE 4.50 (# 2487:10 Single
Ambig)
&rst
ixpk= 2487, nxpk= 10, iat= -1, 700, r1= 1.30, r2= 1.80, r3= 6.49, r4=
6.99,
igr1=1501,1502,1503,1505,1506,1507, 629, 630, 631,
&end
#
# 101 LEU HA 51 ARG HE 5.50 (# 2492:10 Unique
2.50, 3.43 A)
&rst
ixpk= 2492, nxpk= 10, iat=1494, 700, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 51 ARG HA 51 ARG HE 5.50 (# 2493:10 Unique
4.91, 5.12 A)
&rst
ixpk= 2493, nxpk= 10, iat= 689, 700, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:2495 54 ARG HE 4.50 (# 2495:10 Single
Ambig)
&rst
ixpk= 2495, nxpk= 10, iat= -1, 758, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 755, 756, 755, 756,
&end
#
# 3 ASP HB- 57 ARG HE 5.50 (# 2499:10 Unique
3.95, 4.71 A)
&rst
ixpk= 2499, nxpk= 10, iat= -1, 810, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 39, 40,
&end
#
# 109 ILE QD1 57 ARG HE 5.50 (# 2500:10 Unique
4.88, 5.88 A)
&rst
ixpk= 2500, nxpk= 10, iat= -1, 810, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1630,1631,1632,
&end
#
# 0 AMB 10-2:2501 68 LEU HN 5.50 (# 2501:10 Single
Ambig)
&rst
ixpk= 2501, nxpk= 10, iat= -1, 966, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1719,1720,1009, 920,
&end
#
# 66 MET HA 68 LEU HN 5.50 (# 2502:10 Unique
4.48, 4.53 A)
&rst
ixpk= 2502, nxpk= 10, iat= 944, 966, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 65 ASP HA 68 LEU HN 5.50 (# 2503:10 Unique
5.11, 5.18 A)
&rst
ixpk= 2503, nxpk= 10, iat= 932, 966, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 69 ASN HN 68 LEU HN 4.50 (# 2504:10 Unique
3.12, 3.23 A)
&rst
ixpk= 2504, nxpk= 10, iat= 985, 966, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 68 LEU HG 68 LEU HN 2.80 (# 2505:10 Unique
2.43, 2.51 A)
&rst
ixpk= 2505, nxpk= 10, iat= 973, 966, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 68 LEU HB- 68 LEU HN 3.50 (# 2506:10 Unique
2.37, 3.04 A)
&rst
ixpk= 2506, nxpk= 10, iat= -1, 966, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 970, 971,
&end
#
# 151 LEU MDY 68 LEU HN 5.50 (# 2507:10 Unique
5.79, 7.39 A)
&rst
ixpk= 2507, nxpk= 10, iat= -1, 966, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=2281,2282,2283,2285,2286,2287,
&end
#
# 66 MET HG+ 68 LEU HN 5.50 (# 2508:10 Unique
5.12, 5.44 A)
&rst
ixpk= 2508, nxpk= 10, iat= -1, 966, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 949, 950,
&end
#
# 0 AMB 10-2:2509 68 LEU HN 5.50 (# 2509:10 Single
Ambig)
&rst
ixpk= 2509, nxpk= 10, iat= -1, 966, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1027,1028, 934, 935,
&end
#
# 0 AMB 10-2:2510 0 AMB 10-1:2510 5.50 (# 2510:10 Double
Ambig)
&rst
ixpk= 2510, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.54, r4=
9.04,
igr1=1725,1726, 116, 51,1873,1874,1875,
igr2= 906, 35,
&end
#
# 78 PRO HA 80 ASP HN 4.50 (# 2511:10 Unique
3.68, 3.83 A)
&rst
ixpk= 2511, nxpk= 10, iat=1138,1154, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 84 MET HA 86 MET HN 4.50 (# 2512:10 Unique
3.58, 4.00 A)
&rst
ixpk= 2512, nxpk= 10, iat=1212,1247, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 83 GLU HA 86 MET HN 5.50 (# 2513:10 Unique
3.71, 3.84 A)
&rst
ixpk= 2513, nxpk= 10, iat=1197,1247, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 96 TYR HD 97 LEU HN 4.50 (# 2514:10 Unique
3.23, 3.96 A)
&rst
ixpk= 2514, nxpk= 10, iat= -1,1425, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1412,1421,
&end
#
# 0 AMB 10-2:2515 97 LEU HN 5.50 (# 2515:10 Single
Ambig)
&rst
ixpk= 2515, nxpk= 10, iat= -1,1425, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1463,1371,
&end
#
# 53 LEU HA 53 LEU HN 2.80 (# 2516:10 Unique
2.87, 2.90 A)
&rst
ixpk= 2516, nxpk= 10, iat= 728, 726, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 0 AMB 10-2:2517 0 AMB 10-1:2517 2.80 (# 2517:10 Double
Ambig)
&rst
ixpk= 2517, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1=2293,1342,
igr2=2301,1340,
&end
#
# 153 VAL HA 153 VAL HN 2.80 (# 2519:10 Unique
2.21, 2.61 A)
&rst
ixpk= 2519, nxpk= 10, iat=2303,2301, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 66 MET HN 114 GLN HE2- 3.50 (# 2520:10 Unique
1.95, 2.82 A)
&rst
ixpk= 2520, nxpk= 10, iat= 942, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1713,1714,
&end
#
# 68 LEU HN 114 GLN HE2- 5.50 (# 2521:10 Unique
3.69, 4.12 A)
&rst
ixpk= 2521, nxpk= 10, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1713,1714,
&end
#
# 15 ASP HA 17 GLY HN 4.50 (# 2522:10 Unique
3.39, 3.61 A)
&rst
ixpk= 2522, nxpk= 10, iat= 203, 225, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 5 LEU HA 6 LEU HN 2.80 (# 2523:10 Unique
2.21, 2.26 A)
&rst
ixpk= 2523, nxpk= 10, iat= 65, 82, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 72 GLU HB- 72 GLU HN 3.50 (# 2524:10 Unique
2.24, 2.92 A)
&rst
ixpk= 2524, nxpk= 10, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1024,1025,
&end
#
# 136 TYR HD 137 GLN HE2- 3.50 (# 2525:10 Unique
3.20, 6.59 A)
&rst
ixpk= 2525, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=2056,2065,
igr2=2081,2082,
&end
#
# 73 ILE QG2 149 ALA HN 5.50 (# 2526:10 Unique
4.41, 5.88 A)
&rst
ixpk= 2526, nxpk= 10, iat= -1,2245, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1041,1042,1043,
&end
#
# 0 AMB 10-2:2527 126 GLN HE2- 5.50 (# 2527:10 Single
Ambig)
&rst
ixpk= 2527, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=1897,1898,1917,1918,
igr2=1905,1906,
&end
#
# 0 AMB 10-2:2529 4 VAL HN 5.50 (# 2529:10 Single
Ambig)
&rst
ixpk= 2529, nxpk= 10, iat= -1, 47, r1= 1.30, r2= 1.80, r3= 8.20, r4=
8.70,
igr1= 476, 477, 478, 480, 481, 482,1630,1631,1632, 512,
513,
&end
#
# 0 AMB 10-2:2530 5 LEU HN 5.50 (# 2530:10 Single
Ambig)
&rst
ixpk= 2530, nxpk= 10, iat= -1, 63, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1= 512, 513, 476, 477, 478, 480, 481, 482,
&end
#
# 4 VAL MGY 5 LEU HN 3.50 (# 2531:10 Unique
2.52, 4.01 A)
&rst
ixpk= 2531, nxpk= 10, iat= -1, 63, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 53, 54, 55, 57, 58, 59,
&end
#
# 5 LEU HA 5 LEU HN 3.50 (# 2532:10 Unique
2.97, 2.98 A)
&rst
ixpk= 2532, nxpk= 10, iat= 65, 63, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 8 VAL HN 9 GLY HN 4.50 (# 2533:10 Unique
4.26, 4.39 A)
&rst
ixpk= 2533, nxpk= 10, iat= 112, 128, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 10-2:2534 10 ASN HN 4.50 (# 2534:10 Single
Ambig)
&rst
ixpk= 2534, nxpk= 10, iat= -1, 135, r1= 1.30, r2= 1.80, r3= 5.88, r4=
6.38,
igr1= 151, 542, 543, 153, 154,
&end
#
# 16 ASP HA 10 ASN HN 5.50 (# 2535:10 Unique
4.15, 4.32 A)
&rst
ixpk= 2535, nxpk= 10, iat= 215, 135, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 41 SER HB- 10 ASN HN 5.50 (# 2536:10 Unique
3.39, 4.71 A)
&rst
ixpk= 2536, nxpk= 10, iat= -1, 135, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 551, 552,
&end
#
# 0 AMB 10-2:2537 11 SER HN 5.50 (# 2537:10 Single
Ambig)
&rst
ixpk= 2537, nxpk= 10, iat= -1, 149, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 542, 543, 130, 131,
&end
#
# 0 AMB 10-2:2538 12 MET HN 5.50 (# 2538:10 Single
Ambig)
&rst
ixpk= 2538, nxpk= 10, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1788, 215,
&end
#
# 124 MET HA 14 GLY HN 5.50 (# 2540:10 Unique
4.69, 5.05 A)
&rst
ixpk= 2540, nxpk= 10, iat=1864, 194, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:2541 14 GLY HN 5.50 (# 2541:10 Single
Ambig)
&rst
ixpk= 2541, nxpk= 10, iat= -1, 194, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1808, 151,
&end
#
# 0 AMB 10-2:2542 17 GLY HN 5.50 (# 2542:10 Single
Ambig)
&rst
ixpk= 2542, nxpk= 10, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 7.19, r4=
7.69,
igr1= 181, 182, 188, 189, 190,
&end
#
# 124 MET ME 21 LEU HN 3.50 (# 2543:10 Unique
3.60, 4.40 A)
&rst
ixpk= 2543, nxpk= 10, iat= -1, 263, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1=1873,1874,1875,
&end
#
# 20 PRO HB- 24 GLU HN 5.50 (# 2545:10 Unique
5.16, 5.48 A)
&rst
ixpk= 2545, nxpk= 10, iat= -1, 311, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 256, 257,
&end
#
# 25 LYS HG+ 24 GLU HN 5.50 (# 2546:10 Unique
4.32, 5.17 A)
&rst
ixpk= 2546, nxpk= 10, iat= -1, 311, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 333, 334,
&end
#
# 26 CYS HB+ 24 GLU HN 5.50 (# 2547:10 Unique
4.96, 6.21 A)
&rst
ixpk= 2547, nxpk= 10, iat= -1, 311, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 352, 353,
&end
#
# 0 AMB 10-2:2549 26 CYS HN 5.50 (# 2549:10 Single
Ambig)
&rst
ixpk= 2549, nxpk= 10, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 336, 337, 286, 287,
&end
#
# 0 AMB 10-2:2550 27 ALA HN 5.50 (# 2550:10 Single
Ambig)
&rst
ixpk= 2550, nxpk= 10, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 318, 319, 393, 394,
&end
#
# 30 PRO HD- 28 ALA HN 5.50 (# 2551:10 Unique
4.97, 5.93 A)
&rst
ixpk= 2551, nxpk= 10, iat= -1, 369, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 390, 391,
&end
#
# 30 PRO HG+ 29 ALA HN 5.50 (# 2552:10 Unique
4.81, 5.97 A)
&rst
ixpk= 2552, nxpk= 10, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 393, 394,
&end
#
# 36 VAL MGX 29 ALA HN 5.50 (# 2553:10 Unique
5.86, 7.68 A)
&rst
ixpk= 2553, nxpk= 10, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 492, 493, 494, 496, 497, 498,
&end
#
# 141 GLY HN 32 GLY HN 5.50 (# 2554:10 Unique
5.29, 5.53 A)
&rst
ixpk= 2554, nxpk= 10, iat=2144, 425, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:2555 31 LYS HN 4.50 (# 2555:10 Single
Ambig)
&rst
ixpk= 2555, nxpk= 10, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 5.88, r4=
6.38,
igr1=2117, 393, 394,2133,2134,
&end
#
# 34 TRP HB- 33 ASN HN 5.50 (# 2558:10 Unique
4.12, 5.22 A)
&rst
ixpk= 2558, nxpk= 10, iat= -1, 432, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 450, 451,
&end
#
# 35 VAL HA 34 TRP HN 5.50 (# 2559:10 Unique
4.92, 5.12 A)
&rst
ixpk= 2559, nxpk= 10, iat= 472, 446, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 53 LEU HA 54 ARG HN 3.50 (# 2560:10 Unique
3.22, 3.27 A)
&rst
ixpk= 2560, nxpk= 10, iat= 728, 745, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 10-2:2561 35 VAL HN 5.50 (# 2561:10 Single
Ambig)
&rst
ixpk= 2561, nxpk= 10, iat= -1, 470, r1= 1.30, r2= 1.80, r3= 7.19, r4=
7.69,
igr1= 67, 68, 773, 774, 506,
&end
#
# 0 AMB 10-2:2562 35 VAL HN 5.50 (# 2562:10 Single
Ambig)
&rst
ixpk= 2562, nxpk= 10, iat= -1, 470, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 37, 65,
&end
#
# 5 LEU HN 36 VAL HN 5.50 (# 2563:10 Unique
4.41, 4.74 A)
&rst
ixpk= 2563, nxpk= 10, iat= 63, 486, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:2564 37 ILE HN 5.50 (# 2564:10 Single
Ambig)
&rst
ixpk= 2564, nxpk= 10, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1= 86, 87, 51,
&end
#
# 5 LEU HA 37 ILE HN 5.50 (# 2565:10 Unique
4.92, 5.01 A)
&rst
ixpk= 2565, nxpk= 10, iat= 65, 502, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 7 CYS HB+ 38 ASP HN 5.50 (# 2566:10 Unique
4.81, 5.78 A)
&rst
ixpk= 2566, nxpk= 10, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 105, 106,
&end
#
# 7 CYS HB- 38 ASP HN 5.50 (# 2567:10 Unique
4.81, 5.78 A)
&rst
ixpk= 2567, nxpk= 10, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 105, 106,
&end
#
# 87 MET HB+ 87 MET HN 3.50 (# 2569:10 Unique
2.37, 2.52 A)
&rst
ixpk= 2569, nxpk= 10, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1268,1269,
&end
#
# 20 PRO HB- 10 ASN HN 5.50 (# 2570:10 Unique
5.35, 6.26 A)
&rst
ixpk= 2570, nxpk= 10, iat= -1, 135, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 256, 257,
&end
#
# 0 AMB 10-2:2571 40 GLY HN 5.50 (# 2571:10 Single
Ambig)
&rst
ixpk= 2571, nxpk= 10, iat= -1, 540, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 101, 521,
&end
#
# 39 GLY HA- 41 SER HN 5.50 (# 2572:10 Unique
4.06, 5.87 A)
&rst
ixpk= 2572, nxpk= 10, iat= -1, 547, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 535, 536,
&end
#
# 8 VAL MGY 42 ALA HN 5.50 (# 2573:10 Unique
4.04, 6.06 A)
&rst
ixpk= 2573, nxpk= 10, iat= -1, 558, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 118, 119, 120, 122, 123, 124,
&end
#
# 8 VAL MGX 42 ALA HN 5.50 (# 2574:10 Unique
4.04, 6.06 A)
&rst
ixpk= 2574, nxpk= 10, iat= -1, 558, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 118, 119, 120, 122, 123, 124,
&end
#
# 44 GLU HB+ 45 ASN HN 3.50 (# 2576:10 Unique
2.80, 3.98 A)
&rst
ixpk= 2576, nxpk= 10, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 586, 587,
&end
#
# 39 GLY HA- 46 ASP HN 5.50 (# 2579:10 Unique
4.55, 4.99 A)
&rst
ixpk= 2579, nxpk= 10, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 535, 536,
&end
#
# 106 GLY HA- 105 ILE HN 5.50 (# 2580:10 Unique
5.11, 5.87 A)
&rst
ixpk= 2580, nxpk= 10, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1581,1582,
&end
#
# 49 ALA MB 48 VAL HN 4.50 (# 2581:10 Unique
5.06, 5.56 A)
&rst
ixpk= 2581, nxpk= 10, iat= -1, 642, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1= 662, 663, 664,
&end
#
# 0 AMB 10-2:2582 49 ALA HN 5.50 (# 2582:10 Single
Ambig)
&rst
ixpk= 2582, nxpk= 10, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 515, 516, 517, 508, 509, 510,1501,1502,1503,1505,
1506,1507,
&end
#
# 0 AMB 10-2:2583 49 ALA HN 4.50 (# 2583:10 Single
Ambig)
&rst
ixpk= 2583, nxpk= 10, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1= 629, 630, 631,1501,1502,1503,1505,1506,1507, 636,
637, 638,
&end
#
# 50 ILE HG1- 49 ALA HN 4.50 (# 2584:10 Unique
4.04, 5.12 A)
&rst
ixpk= 2584, nxpk= 10, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 678, 679,
&end
#
# 52 GLU HG- 49 ALA HN 5.50 (# 2585:10 Unique
4.82, 5.40 A)
&rst
ixpk= 2585, nxpk= 10, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 718, 719,
&end
#
# 46 ASP HB+ 49 ALA HN 5.50 (# 2586:10 Unique
4.11, 4.86 A)
&rst
ixpk= 2586, nxpk= 10, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 615, 616,
&end
#
# 47 ILE HN 50 ILE HN 5.50 (# 2588:10 Unique
4.93, 4.98 A)
&rst
ixpk= 2588, nxpk= 10, iat= 623, 668, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 53 LEU HN 50 ILE HN 5.50 (# 2589:10 Unique
4.97, 5.06 A)
&rst
ixpk= 2589, nxpk= 10, iat= 726, 668, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 46 ASP HB- 50 ILE HN 5.50 (# 2590:10 Unique
3.68, 4.65 A)
&rst
ixpk= 2590, nxpk= 10, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 615, 616,
&end
#
# 126 GLN HB- 126 GLN HE2- 4.50 (# 2591:10 Unique
3.55, 4.50 A)
&rst
ixpk= 2591, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1897,1898,
igr2=1905,1906,
&end
#
# 0 AMB 10-2:2592 50 ILE HN 4.50 (# 2592:10 Single
Ambig)
&rst
ixpk= 2592, nxpk= 10, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 5.88, r4=
6.38,
igr1= 715, 716, 715, 716, 646,
&end
#
# 0 AMB 10-2:2593 50 ILE HN 4.50 (# 2593:10 Single
Ambig)
&rst
ixpk= 2593, nxpk= 10, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 5.88, r4=
6.38,
igr1= 694, 695,1499, 633, 634,
&end
#
# 0 AMB 10-2:2595 51 ARG HN 4.50 (# 2595:10 Single
Ambig)
&rst
ixpk= 2595, nxpk= 10, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 648, 649, 650, 652, 653, 654, 735, 736, 737, 739,
740, 741, 53, 54, 55, 57, 58, 59,1570,1571,
&end
#
# 51 ARG HN 53 LEU HN 4.50 (# 2597:10 Unique
4.19, 4.25 A)
&rst
ixpk= 2597, nxpk= 10, iat= 687, 726, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 51 ARG HA 53 LEU HN 4.50 (# 2598:10 Unique
3.78, 3.95 A)
&rst
ixpk= 2598, nxpk= 10, iat= 689, 726, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 37 ILE QD1 53 LEU HN 5.50 (# 2599:10 Unique
4.99, 5.57 A)
&rst
ixpk= 2599, nxpk= 10, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1= 515, 516, 517,
&end
#
# 56 THR HA 56 THR HN 3.50 (# 2600:10 Unique
2.87, 2.89 A)
&rst
ixpk= 2600, nxpk= 10, iat= 785, 783, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 55 PRO HD- 56 THR HN 5.50 (# 2601:10 Unique
5.31, 5.57 A)
&rst
ixpk= 2601, nxpk= 10, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 770, 771,
&end
#
# 3 ASP HB+ 57 ARG HN 5.50 (# 2602:10 Unique
4.23, 5.33 A)
&rst
ixpk= 2602, nxpk= 10, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 39, 40,
&end
#
# 55 PRO HG- 57 ARG HN 5.50 (# 2603:10 Unique
5.00, 5.34 A)
&rst
ixpk= 2603, nxpk= 10, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 773, 774,
&end
#
# 0 AMB 10-2:2604 57 ARG HN 5.50 (# 2604:10 Single
Ambig)
&rst
ixpk= 2604, nxpk= 10, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1590,1591, 474,
&end
#
# 0 AMB 10-2:2605 58 LEU HN 5.50 (# 2605:10 Single
Ambig)
&rst
ixpk= 2605, nxpk= 10, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 842, 49,
&end
#
# 0 AMB 10-2:2606 58 LEU HN 5.50 (# 2606:10 Single
Ambig)
&rst
ixpk= 2606, nxpk= 10, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1= 53, 54, 55, 57, 58, 59,1570,1571,
&end
#
# 0 AMB 10-2:2608 58 LEU HN 4.50 (# 2608:10 Single
Ambig)
&rst
ixpk= 2608, nxpk= 10, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 828,1564,
&end
#
# 107 GLU HG+ 58 LEU HN 5.50 (# 2609:10 Unique
4.06, 5.10 A)
&rst
ixpk= 2609, nxpk= 10, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1593,1594,
&end
#
# 0 AMB 10-2:2610 59 LEU HN 5.50 (# 2610:10 Single
Ambig)
&rst
ixpk= 2610, nxpk= 10, iat= -1, 840, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1= 51, 86, 87,
&end
#
# 5 LEU MDX 60 ILE HN 5.50 (# 2612:10 Unique
4.40, 7.02 A)
&rst
ixpk= 2612, nxpk= 10, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 72, 73, 74, 76, 77, 78,
&end
#
# 0 AMB 10-2:2613 60 ILE HN 5.50 (# 2613:10 Single
Ambig)
&rst
ixpk= 2613, nxpk= 10, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1627,1628, 70,
&end
#
# 0 AMB 10-2:2614 62 ASP HN 5.50 (# 2614:10 Single
Ambig)
&rst
ixpk= 2614, nxpk= 10, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 7.19, r4=
7.69,
igr1=1692,1693, 236, 237, 238,
&end
#
# 113 ILE QD1 64 THR HN 5.50 (# 2615:10 Unique
5.85, 6.67 A)
&rst
ixpk= 2615, nxpk= 10, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1695,1696,1697,
&end
#
# 0 AMB 10-2:2616 64 THR HN 5.50 (# 2616:10 Single
Ambig)
&rst
ixpk= 2616, nxpk= 10, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 7.19, r4=
7.69,
igr1=1692,1693,1110,1111,1112,
&end
#
# 0 AMB 10-2:2618 64 THR HN 5.50 (# 2618:10 Single
Ambig)
&rst
ixpk= 2618, nxpk= 10, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1= 949, 950,1705,1706,1705,1706,1708,1709,
&end
#
# 114 GLN HA 64 THR HN 4.50 (# 2619:10 Unique
3.52, 3.60 A)
&rst
ixpk= 2619, nxpk= 10, iat=1703, 916, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 10-2:2621 64 THR HN 5.50 (# 2621:10 Single
Ambig)
&rst
ixpk= 2621, nxpk= 10, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1701,1054,
&end
#
# 114 GLN HE2- 65 ASP HN 5.50 (# 2622:10 Unique
4.98, 5.44 A)
&rst
ixpk= 2622, nxpk= 10, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1713,1714,
&end
#
# 87 MET HN 65 ASP HN 5.50 (# 2623:10 Unique
5.10, 5.49 A)
&rst
ixpk= 2623, nxpk= 10, iat=1264, 930, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 66 MET HG+ 65 ASP HN 5.50 (# 2624:10 Unique
4.19, 5.13 A)
&rst
ixpk= 2624, nxpk= 10, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 949, 950,
&end
#
# 58 LEU HG 60 ILE HN 5.50 (# 2625:10 Unique
3.96, 4.21 A)
&rst
ixpk= 2625, nxpk= 10, iat= 828, 859, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 94 LEU HA 96 TYR HN 5.50 (# 2626:10 Unique
3.11, 3.20 A)
&rst
ixpk= 2626, nxpk= 10, iat=1373,1404, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 64 THR HN 66 MET HN 5.50 (# 2627:10 Unique
5.59, 5.62 A)
&rst
ixpk= 2627, nxpk= 10, iat= 916, 942, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 68 LEU HB+ 67 GLY HN 5.50 (# 2629:10 Unique
5.12, 5.85 A)
&rst
ixpk= 2629, nxpk= 10, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 970, 971,
&end
#
# 0 AMB 10-2:2630 68 LEU HN 4.50 (# 2630:10 Single
Ambig)
&rst
ixpk= 2630, nxpk= 10, iat= -1, 966, r1= 1.30, r2= 1.80, r3= 5.88, r4=
6.38,
igr1= 953, 954, 955,1024,1025,
&end
#
# 66 MET HB+ 68 LEU HN 4.50 (# 2631:10 Unique
2.76, 3.34 A)
&rst
ixpk= 2631, nxpk= 10, iat= -1, 966, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 946, 947,
&end
#
# 72 GLU HG- 68 LEU HN 5.50 (# 2632:10 Unique
4.78, 5.64 A)
&rst
ixpk= 2632, nxpk= 10, iat= -1, 966, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1027,1028,
&end
#
# 0 AMB 10-2:2633 71 GLY HN 4.50 (# 2633:10 Single
Ambig)
&rst
ixpk= 2633, nxpk= 10, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 6.22, r4=
6.72,
igr1=1003,1004, 953, 954, 955,1725,1726,
&end
#
# 70 PRO HD- 71 GLY HN 5.50 (# 2634:10 Unique
5.33, 5.58 A)
&rst
ixpk= 2634, nxpk= 10, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1000,1001,
&end
#
# 128 ILE HA 71 GLY HN 4.50 (# 2635:10 Unique
3.72, 3.79 A)
&rst
ixpk= 2635, nxpk= 10, iat=1926,1013, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 70 PRO HD- 72 GLU HN 5.50 (# 2637:10 Unique
5.84, 5.99 A)
&rst
ixpk= 2637, nxpk= 10, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1000,1001,
&end
#
# 71 GLY HA- 72 GLU HN 3.50 (# 2639:10 Unique
3.15, 3.33 A)
&rst
ixpk= 2639, nxpk= 10, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1015,1016,
&end
#
# 12 MET HB+ 13 MET HN 4.50 (# 2640:10 Unique
4.27, 4.49 A)
&rst
ixpk= 2640, nxpk= 10, iat= -1, 177, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 164, 165,
&end
#
# 0 AMB 10-2:2641 13 MET HN 3.50 (# 2641:10 Single
Ambig)
&rst
ixpk= 2641, nxpk= 10, iat= -1, 177, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 167, 168, 139, 140,
&end
#
# 0 AMB 10-2:2643 73 ILE HN 5.50 (# 2643:10 Single
Ambig)
&rst
ixpk= 2643, nxpk= 10, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 7.93, r4=
8.43,
igr1=1688,1689,1690,1665,1666,1667,1669,1670,1671,
&end
#
# 151 LEU MDX 153 VAL HN 4.50 (# 2644:10 Unique
1.92, 5.42 A)
&rst
ixpk= 2644, nxpk= 10, iat= -1,2301, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=2281,2282,2283,2285,2286,2287,
&end
#
# 151 LEU MDY 153 VAL HN 5.50 (# 2645:10 Unique
1.92, 5.42 A)
&rst
ixpk= 2645, nxpk= 10, iat= -1,2301, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=2281,2282,2283,2285,2286,2287,
&end
#
# 0 AMB 10-2:2647 0 AMB 10-1:2647 5.50 (# 2647:10 Double
Ambig)
&rst
ixpk= 2647, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=2276,2277,1663,
igr2=2301,1035,
&end
#
# 151 LEU HG 153 VAL HN 4.50 (# 2649:10 Unique
2.21, 4.15 A)
&rst
ixpk= 2649, nxpk= 10, iat=2279,2301, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 93 PRO HD- 92 MET HN 4.50 (# 2651:10 Unique
4.36, 4.87 A)
&rst
ixpk= 2651, nxpk= 10, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1358,1359,
&end
#
# 0 AMB 10-2:2652 72 GLU HN 5.50 (# 2652:10 Single
Ambig)
&rst
ixpk= 2652, nxpk= 10, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1917,1918,1692,1693,
&end
#
# 0 AMB 10-2:2654 74 ARG HN 4.50 (# 2654:10 Single
Ambig)
&rst
ixpk= 2654, nxpk= 10, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1035, 916,
&end
#
# 150 GLN HB- 151 LEU HN 4.50 (# 2656:10 Unique
2.58, 4.21 A)
&rst
ixpk= 2656, nxpk= 10, iat= -1,2272, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=2259,2260,
&end
#
# 74 ARG HB+ 151 LEU HN 3.50 (# 2657:10 Unique
2.41, 3.31 A)
&rst
ixpk= 2657, nxpk= 10, iat= -1,2272, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1058,1059,
&end
#
# 150 GLN HN 75 ILE HN 5.50 (# 2658:10 Unique
4.40, 4.49 A)
&rst
ixpk= 2658, nxpk= 10, iat=2255,1078, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 76 ILE HG1- 76 ILE HN 4.50 (# 2659:10 Unique
2.58, 3.13 A)
&rst
ixpk= 2659, nxpk= 10, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1107,1108,
&end
#
# 111 LEU MDX 76 ILE HN 5.50 (# 2660:10 Unique
5.83, 7.01 A)
&rst
ixpk= 2660, nxpk= 10, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1665,1666,1667,1669,1670,1671,
&end
#
# 0 AMB 10-2:2661 77 ASP HN 4.50 (# 2661:10 Single
Ambig)
&rst
ixpk= 2661, nxpk= 10, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1=1107,1108,2281,2282,2283,2285,2286,2287,
&end
#
# 0 AMB 10-2:2662 103 GLU HN 3.50 (# 2662:10 Single
Ambig)
&rst
ixpk= 2662, nxpk= 10, iat= -1,1533, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1537,1538,1515,1516,
&end
#
# 76 ILE QG2 80 ASP HN 4.50 (# 2664:10 Unique
3.67, 4.71 A)
&rst
ixpk= 2664, nxpk= 10, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1=1103,1104,1105,
&end
#
# 81 ILE HG1+ 80 ASP HN 4.50 (# 2665:10 Unique
3.63, 4.44 A)
&rst
ixpk= 2665, nxpk= 10, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1176,1177,
&end
#
# 0 AMB 10-2:2666 0 AMB 10-1:2666 5.50 (# 2666:10 Double
Ambig)
&rst
ixpk= 2666, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 454,2267,2268,
igr2=2129,1154,
&end
#
# 45 ASN HA 47 ILE HN 5.50 (# 2667:10 Unique
3.96, 4.00 A)
&rst
ixpk= 2667, nxpk= 10, iat= 599, 623, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:2668 0 AMB 10-1:2668 5.50 (# 2668:10 Double
Ambig)
&rst
ixpk= 2668, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=1120,1121, 601, 602,1231,1232,
igr2=1166, 623,
&end
#
# 0 AMB 10-2:2669 0 AMB 10-1:2669 4.50 (# 2669:10 Double
Ambig)
&rst
ixpk= 2669, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4=
7.49,
igr1= 586, 587, 646,1135,1136,1199,1200,
igr2= 623,1166,
&end
#
# 0 AMB 10-2:2670 81 ILE HN 5.50 (# 2670:10 Single
Ambig)
&rst
ixpk= 2670, nxpk= 10, iat= -1,1166, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1135,1136,1132,1133,
&end
#
# 0 AMB 10-2:2671 0 AMB 10-1:2671 5.50 (# 2671:10 Double
Ambig)
&rst
ixpk= 2671, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1367,1684,
igr2=1340,1035,
&end
#
# 0 AMB 10-2:2672 47 ILE HN 3.50 (# 2672:10 Single
Ambig)
&rst
ixpk= 2672, nxpk= 10, iat= -1, 623, r1= 1.30, r2= 1.80, r3= 5.22, r4=
5.72,
igr1= 681, 682, 683,1434,1435,1436,1438,1439,1440, 678,
679,
&end
#
# 80 ASP HN 83 GLU HN 5.50 (# 2673:10 Unique
5.21, 5.35 A)
&rst
ixpk= 2673, nxpk= 10, iat=1154,1195, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 84 MET HB+ 83 GLU HN 5.50 (# 2675:10 Unique
4.03, 4.89 A)
&rst
ixpk= 2675, nxpk= 10, iat= -1,1195, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1214,1215,
&end
#
# 81 ILE HG1- 83 GLU HN 5.50 (# 2676:10 Unique
6.06, 6.22 A)
&rst
ixpk= 2676, nxpk= 10, iat= -1,1195, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1176,1177,
&end
#
# 82 ALA HA 84 MET HN 5.50 (# 2678:10 Unique
4.80, 4.90 A)
&rst
ixpk= 2678, nxpk= 10, iat=1187,1210, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:2679 85 PHE HN 5.50 (# 2679:10 Single
Ambig)
&rst
ixpk= 2679, nxpk= 10, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1199,1200,1364,1365,
&end
#
# 81 ILE QG2 86 MET HN 5.50 (# 2680:10 Unique
5.69, 6.77 A)
&rst
ixpk= 2680, nxpk= 10, iat= -1,1247, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1172,1173,1174,
&end
#
# 0 AMB 10-2:2681 86 MET HN 5.50 (# 2681:10 Single
Ambig)
&rst
ixpk= 2681, nxpk= 10, iat= -1,1247, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1364,1365,1217,1218,
&end
#
# 85 PHE HB- 86 MET HN 3.50 (# 2682:10 Unique
2.87, 3.44 A)
&rst
ixpk= 2682, nxpk= 10, iat= -1,1247, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1231,1232,
&end
#
# 91 ASN HB- 86 MET HN 5.50 (# 2683:10 Unique
3.80, 4.64 A)
&rst
ixpk= 2683, nxpk= 10, iat= -1,1247, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1330,1331,
&end
#
# 82 ALA HA 86 MET HN 5.50 (# 2684:10 Unique
4.91, 5.37 A)
&rst
ixpk= 2684, nxpk= 10, iat=1187,1247, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 93 PRO HA 86 MET HN 5.50 (# 2685:10 Unique
3.88, 5.01 A)
&rst
ixpk= 2685, nxpk= 10, iat=1367,1247, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:2686 87 MET HN 3.50 (# 2686:10 Single
Ambig)
&rst
ixpk= 2686, nxpk= 10, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1268,1269,1251,1252,
&end
#
# 0 AMB 10-2:2691 99 ASP HN 5.50 (# 2691:10 Single
Ambig)
&rst
ixpk= 2691, nxpk= 10, iat= -1,1463, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1524,1525,1524,1525,
&end
#
# 90 HIS HB+ 90 HIS HN 5.50 (# 2692:10 Unique
2.28, 3.33 A)
&rst
ixpk= 2692, nxpk= 10, iat= -1,1309, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1313,1314,
&end
#
# 0 AMB 10-2:2693 0 AMB 10-1:2693 5.50 (# 2693:10 Double
Ambig)
&rst
ixpk= 2693, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1404,1335,1336,
igr2=1463,1309,
&end
#
# 129 LYS HG+ 130 ASP HN 4.50 (# 2695:10 Unique
4.12, 4.69 A)
&rst
ixpk= 2695, nxpk= 10, iat= -1,1965, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1950,1951,
&end
#
# 95 ASN HD2- 95 ASN HN 5.50 (# 2696:10 Unique
2.21, 3.22 A)
&rst
ixpk= 2696, nxpk= 10, iat= -1,1390, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1399,1400,
&end
#
# 0 AMB 10-2:2697 95 ASN HN 5.50 (# 2697:10 Single
Ambig)
&rst
ixpk= 2697, nxpk= 10, iat= -1,1390, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1444,1227,1247,
&end
#
# 0 AMB 10-2:2698 96 TYR HN 5.50 (# 2698:10 Single
Ambig)
&rst
ixpk= 2698, nxpk= 10, iat= -1,1404, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1371,1463,
&end
#
# 99 ASP HB- 0 AMB 10-1:2700 5.50 (# 2700:10 Single
Ambig)
&rst
ixpk= 2700, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1467,1468,
igr2=1444,1533,
&end
#
# 0 AMB 10-2:2702 0 AMB 10-1:2702 5.50 (# 2702:10 Double
Ambig)
&rst
ixpk= 2702, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=1570,1571, 633, 634,
igr2=1533,1444,
&end
#
# 101 LEU HA 100 GLN HN 5.50 (# 2703:10 Unique
5.00, 5.17 A)
&rst
ixpk= 2703, nxpk= 10, iat=1494,1475, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 101 LEU HB+ 100 GLN HN 5.50 (# 2704:10 Unique
3.83, 5.17 A)
&rst
ixpk= 2704, nxpk= 10, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1496,1497,
&end
#
# 0 AMB 10-2:2705 100 GLN HN 5.50 (# 2705:10 Single
Ambig)
&rst
ixpk= 2705, nxpk= 10, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1429,1430,1454,1455,
&end
#
# 0 AMB 10-2:2706 101 LEU HN 4.50 (# 2706:10 Single
Ambig)
&rst
ixpk= 2706, nxpk= 10, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1533,1444,
&end
#
# 103 GLU HG- 102 LYS HN 5.50 (# 2707:10 Unique
3.86, 5.01 A)
&rst
ixpk= 2707, nxpk= 10, iat= -1,1511, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1540,1541,
&end
#
# 103 GLU HG+ 102 LYS HN 5.50 (# 2708:10 Unique
3.86, 5.01 A)
&rst
ixpk= 2708, nxpk= 10, iat= -1,1511, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1540,1541,
&end
#
# 104 ASP HN 102 LYS HN 5.50 (# 2711:10 Unique
3.92, 4.24 A)
&rst
ixpk= 2711, nxpk= 10, iat=1548,1511, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 54 ARG HN 52 GLU HN 4.50 (# 2713:10 Unique
3.63, 3.76 A)
&rst
ixpk= 2713, nxpk= 10, iat= 745, 711, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 10-2:2714 0 AMB 10-1:2714 3.50 (# 2714:10 Double
Ambig)
&rst
ixpk= 2714, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1185, 597,
igr2=1166, 623,
&end
#
# 81 ILE HG1+ 81 ILE HN 2.80 (# 2715:10 Unique
2.05, 2.88 A)
&rst
ixpk= 2715, nxpk= 10, iat= -1,1166, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1=1176,1177,
&end
#
# 109 ILE HA 108 VAL HN 5.50 (# 2717:10 Unique
4.55, 4.68 A)
&rst
ixpk= 2717, nxpk= 10, iat=1619,1601, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:2718 108 VAL HN 5.50 (# 2718:10 Single
Ambig)
&rst
ixpk= 2718, nxpk= 10, iat= -1,1601, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1621, 801, 802,
&end
#
# 59 LEU HB- 109 ILE HN 4.50 (# 2719:10 Unique
4.20, 4.98 A)
&rst
ixpk= 2719, nxpk= 10, iat= -1,1617, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 844, 845,
&end
#
# 109 ILE QD1 109 ILE HN 3.50 (# 2720:10 Unique
2.24, 3.59 A)
&rst
ixpk= 2720, nxpk= 10, iat= -1,1617, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1=1630,1631,1632,
&end
#
# 0 AMB 10-2:2722 109 ILE HN 5.50 (# 2722:10 Single
Ambig)
&rst
ixpk= 2722, nxpk= 10, iat= -1,1617, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1593,1594,1590,1591,1132,1133,
&end
#
# 111 LEU HN 110 PHE HN 4.50 (# 2725:10 Unique
4.29, 4.39 A)
&rst
ixpk= 2725, nxpk= 10, iat=1656,1636, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 10-2:2726 0 AMB 10-1:2726 5.50 (# 2726:10 Double
Ambig)
&rst
ixpk= 2726, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4=
9.23,
igr1=1132,1133,1590,1591,1132,1133,1135,1136,
igr2=1636,1617,
&end
#
# 75 ILE QD1 110 PHE HN 4.50 (# 2727:10 Unique
4.25, 5.67 A)
&rst
ixpk= 2727, nxpk= 10, iat= -1,1636, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1=1091,1092,1093,
&end
#
# 60 ILE HG1- 109 ILE HN 4.50 (# 2728:10 Unique
3.85, 5.07 A)
&rst
ixpk= 2728, nxpk= 10, iat= -1,1617, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 869, 870,
&end
#
# 61 VAL HB 111 LEU HN 5.50 (# 2729:10 Unique
5.40, 5.54 A)
&rst
ixpk= 2729, nxpk= 10, iat= 882,1656, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:2730 111 LEU HN 5.50 (# 2730:10 Single
Ambig)
&rst
ixpk= 2730, nxpk= 10, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1101, 828,1088,1089,
&end
#
# 74 ARG HB+ 112 GLY HN 5.50 (# 2731:10 Unique
3.81, 4.40 A)
&rst
ixpk= 2731, nxpk= 10, iat= -1,1675, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1058,1059,
&end
#
# 62 ASP HN 113 ILE HN 5.50 (# 2732:10 Unique
4.06, 4.13 A)
&rst
ixpk= 2732, nxpk= 10, iat= 894,1682, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 72 GLU HG- 114 GLN HN 5.50 (# 2733:10 Unique
5.22, 5.40 A)
&rst
ixpk= 2733, nxpk= 10, iat= -1,1701, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1027,1028,
&end
#
# 0 AMB 10-2:2735 114 GLN HN 4.50 (# 2735:10 Single
Ambig)
&rst
ixpk= 2735, nxpk= 10, iat= -1,1701, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 946, 947,1058,1059,
&end
#
# 15 ASP HA 117 ILE HN 5.50 (# 2736:10 Unique
5.12, 5.31 A)
&rst
ixpk= 2736, nxpk= 10, iat= 203,1744, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 15 ASP HB+ 117 ILE HN 4.50 (# 2737:10 Unique
3.16, 3.79 A)
&rst
ixpk= 2737, nxpk= 10, iat= -1,1744, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 205, 206,
&end
#
# 0 AMB 10-2:2738 118 VAL HN 5.50 (# 2738:10 Single
Ambig)
&rst
ixpk= 2738, nxpk= 10, iat= -1,1763, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1725,1726,1722,1723,
&end
#
# 115 PRO HB+ 118 VAL HN 5.50 (# 2739:10 Unique
3.31, 5.97 A)
&rst
ixpk= 2739, nxpk= 10, iat= -1,1763, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1725,1726,
&end
#
# 120 PHE HB- 122 TYR HN 5.50 (# 2740:10 Unique
4.86, 5.18 A)
&rst
ixpk= 2740, nxpk= 10, iat= -1,1827, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1790,1791,
&end
#
# 120 PHE HB+ 122 TYR HN 5.50 (# 2741:10 Unique
4.86, 5.18 A)
&rst
ixpk= 2741, nxpk= 10, iat= -1,1827, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1790,1791,
&end
#
# 12 MET HA 122 TYR HN 5.50 (# 2742:10 Unique
4.19, 5.20 A)
&rst
ixpk= 2742, nxpk= 10, iat= 162,1827, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 21 LEU MDX 124 MET HN 5.50 (# 2744:10 Unique
6.00, 7.52 A)
&rst
ixpk= 2744, nxpk= 10, iat= -1,1862, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 272, 273, 274, 276, 277, 278,
&end
#
# 129 LYS HG- 124 MET HN 5.50 (# 2745:10 Unique
4.71, 5.25 A)
&rst
ixpk= 2745, nxpk= 10, iat= -1,1862, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1950,1951,
&end
#
# 125 THR HN 126 GLN HN 5.50 (# 2747:10 Unique
4.61, 4.67 A)
&rst
ixpk= 2747, nxpk= 10, iat=1879,1893, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 70 PRO HB- 128 ILE HN 5.50 (# 2748:10 Unique
4.01, 4.70 A)
&rst
ixpk= 2748, nxpk= 10, iat= -1,1924, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1006,1007,
&end
#
# 126 GLN HN 128 ILE HN 5.50 (# 2749:10 Unique
4.39, 4.75 A)
&rst
ixpk= 2749, nxpk= 10, iat=1893,1924, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 125 THR HN 129 LYS HN 5.50 (# 2750:10 Unique
4.42, 4.65 A)
&rst
ixpk= 2750, nxpk= 10, iat=1879,1943, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 128 ILE HA 130 ASP HN 5.50 (# 2751:10 Unique
4.36, 4.43 A)
&rst
ixpk= 2751, nxpk= 10, iat=1926,1965, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:2753 131 ALA HN 5.50 (# 2753:10 Single
Ambig)
&rst
ixpk= 2753, nxpk= 10, iat= -1,1977, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1945,1911,1912,
&end
#
# 133 GLU HB+ 131 ALA HN 5.50 (# 2754:10 Unique
4.72, 5.49 A)
&rst
ixpk= 2754, nxpk= 10, iat= -1,1977, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=2007,2008,
&end
#
# 127 PRO HB+ 131 ALA HN 5.50 (# 2755:10 Unique
5.15, 5.54 A)
&rst
ixpk= 2755, nxpk= 10, iat= -1,1977, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1917,1918,
&end
#
# 0 AMB 10-2:2756 131 ALA HN 5.50 (# 2756:10 Single
Ambig)
&rst
ixpk= 2756, nxpk= 10, iat= -1,1977, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1917,1918,1950,1951,
&end
#
# 0 AMB 10-2:2757 132 VAL HN 5.50 (# 2757:10 Single
Ambig)
&rst
ixpk= 2757, nxpk= 10, iat= -1,1987, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1686, 336, 337,
&end
#
# 0 AMB 10-2:2759 22 LEU HN 5.50 (# 2759:10 Single
Ambig)
&rst
ixpk= 2759, nxpk= 10, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 315, 316, 315, 316,
&end
#
# 129 LYS HB+ 132 VAL HN 5.50 (# 2760:10 Unique
5.14, 5.43 A)
&rst
ixpk= 2760, nxpk= 10, iat= -1,1987, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1947,1948,
&end
#
# 0 AMB 10-2:2762 61 VAL HN 3.50 (# 2762:10 Single
Ambig)
&rst
ixpk= 2762, nxpk= 10, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 5.14, r4=
5.64,
igr1= 884, 885, 886, 888, 889, 890, 872, 873, 874, 847,
&end
#
# 60 ILE QG2 61 VAL HN 3.50 (# 2763:10 Unique
2.22, 3.20 A)
&rst
ixpk= 2763, nxpk= 10, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1= 865, 866, 867,
&end
#
# 22 LEU HB- 0 AMB 10-1:2767 5.50 (# 2767:10 Single
Ambig)
&rst
ixpk= 2767, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 286, 287,
igr2=2032, 311,
&end
#
# 25 LYS HG+ 24 GLU HN 5.50 (# 2768:10 Unique
4.32, 5.17 A)
&rst
ixpk= 2768, nxpk= 10, iat= -1, 311, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 333, 334,
&end
#
# 134 THR HB 136 TYR HN 5.50 (# 2769:10 Unique
5.09, 5.22 A)
&rst
ixpk= 2769, nxpk= 10, iat=2022,2048, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 137 GLN HG- 136 TYR HN 5.50 (# 2770:10 Unique
4.30, 5.29 A)
&rst
ixpk= 2770, nxpk= 10, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=2076,2077,
&end
#
# 137 GLN HG+ 136 TYR HN 5.50 (# 2771:10 Unique
4.30, 5.29 A)
&rst
ixpk= 2771, nxpk= 10, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=2076,2077,
&end
#
# 25 LYS HD- 136 TYR HN 5.50 (# 2772:10 Unique
4.41, 4.97 A)
&rst
ixpk= 2772, nxpk= 10, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 336, 337,
&end
#
# 0 AMB 10-2:2773 138 ARG HN 5.50 (# 2773:10 Single
Ambig)
&rst
ixpk= 2773, nxpk= 10, iat= -1,2086, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=2112,2005,
&end
#
# 0 AMB 10-2:2774 138 ARG HN 4.50 (# 2774:10 Single
Ambig)
&rst
ixpk= 2774, nxpk= 10, iat= -1,2086, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=2050,2020,
&end
#
# 135 VAL HA 138 ARG HN 3.50 (# 2775:10 Unique
3.28, 3.47 A)
&rst
ixpk= 2775, nxpk= 10, iat=2034,2086, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 142 TRP HB+ 139 LEU HN 5.50 (# 2776:10 Unique
4.27, 4.72 A)
&rst
ixpk= 2776, nxpk= 10, iat= -1,2110, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=2155,2156,
&end
#
# 140 GLU HB- 139 LEU HN 5.50 (# 2777:10 Unique
4.55, 5.86 A)
&rst
ixpk= 2777, nxpk= 10, iat= -1,2110, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=2133,2134,
&end
#
# 0 AMB 10-2:2778 0 AMB 10-1:2778 4.50 (# 2778:10 Double
Ambig)
&rst
ixpk= 2778, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=2086,1195,
igr2=2129,1154,
&end
#
# 0 AMB 10-2:2779 74 ARG HN 4.50 (# 2779:10 Single
Ambig)
&rst
ixpk= 2779, nxpk= 10, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1=1107,1108,2038,2039,2040,2042,2043,2044,
&end
#
# 145 ASN HD2- 148 PHE HN 5.50 (# 2781:10 Unique
3.81, 5.22 A)
&rst
ixpk= 2781, nxpk= 10, iat= -1,2225, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=2206,2207,
&end
#
# 145 ASN HD2+ 148 PHE HN 5.50 (# 2784:10 Unique
3.81, 5.22 A)
&rst
ixpk= 2784, nxpk= 10, iat= -1,2225, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=2206,2207,
&end
#
# 0 AMB 10-2:2787 145 ASN HN 5.50 (# 2787:10 Single
Ambig)
&rst
ixpk= 2787, nxpk= 10, iat= -1,2197, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2220,2221,2155,2156,
&end
#
# 143 GLU HB- 146 GLY HN 5.50 (# 2788:10 Unique
3.68, 4.94 A)
&rst
ixpk= 2788, nxpk= 10, iat= -1,2211, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=2179,2180,
&end
#
# 145 ASN HB+ 148 PHE HN 4.50 (# 2790:10 Unique
2.85, 3.81 A)
&rst
ixpk= 2790, nxpk= 10, iat= -1,2225, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=2201,2202,
&end
#
# 75 ILE HG1- 150 GLN HN 5.50 (# 2793:10 Unique
4.78, 5.18 A)
&rst
ixpk= 2793, nxpk= 10, iat= -1,2255, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1088,1089,
&end
#
# 66 MET HB- 68 LEU HN 3.50 (# 2796:10 Unique
2.76, 3.34 A)
&rst
ixpk= 2796, nxpk= 10, iat= -1, 966, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 946, 947,
&end
#
# 153 VAL HN 154 GLU HN 3.50 (# 2797:10 Unique
2.74, 3.27 A)
&rst
ixpk= 2797, nxpk= 10, iat=2301,2317, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 10-2:2800 156 GLU HN 5.50 (# 2800:10 Single
Ambig)
&rst
ixpk= 2800, nxpk= 10, iat= -1,2347, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=2324,2325,2324,2325,2339,2340,2339,2340,
&end
#
# 67 GLY HN 114 GLN HE2- 3.50 (# 2801:10 Unique
2.10, 3.12 A)
&rst
ixpk= 2801, nxpk= 10, iat= 959, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1713,1714,
&end
#
# 65 ASP HN 114 GLN HE2- 5.50 (# 2802:10 Unique
4.98, 5.44 A)
&rst
ixpk= 2802, nxpk= 10, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1713,1714,
&end
#
# 0 AMB 10-2:2803 114 GLN HE2- 4.50 (# 2803:10 Single
Ambig)
&rst
ixpk= 2803, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1=1722,1723,1725,1726,
igr2=1713,1714,
&end
#
# 65 ASP HB- 114 GLN HE2- 5.50 (# 2804:10 Unique
3.72, 4.63 A)
&rst
ixpk= 2804, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 934, 935,
igr2=1713,1714,
&end
#
# 114 GLN HG+ 114 GLN HE2- 3.50 (# 2805:10 Unique
2.23, 3.28 A)
&rst
ixpk= 2805, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1708,1709,
igr2=1713,1714,
&end
#
# 0 AMB 10-2:2806 50 ILE HN 3.50 (# 2806:10 Single
Ambig)
&rst
ixpk= 2806, nxpk= 10, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1501,1502,1503,1505,1506,1507, 674, 675, 676,
&end
#
# 45 ASN HB- 45 ASN HD2+ 3.50 (# 2807:10 Unique
2.30, 3.44 A)
&rst
ixpk= 2807, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 601, 602,
igr2= 606, 607,
&end
#
# 80 ASP HB+ 150 GLN HE2- 4.50 (# 2810:10 Unique
3.54, 4.77 A)
&rst
ixpk= 2810, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1158,1159,
igr2=2267,2268,
&end
#
# 65 ASP HB- 114 GLN HE2+ 5.50 (# 2811:10 Unique
3.72, 4.63 A)
&rst
ixpk= 2811, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 934, 935,
igr2=1713,1714,
&end
#
# 64 THR HN 114 GLN HE2+ 5.50 (# 2813:10 Unique
5.97, 6.15 A)
&rst
ixpk= 2813, nxpk= 10, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1713,1714,
&end
#
# 45 ASN HN 45 ASN HD2- 4.50 (# 2814:10 Unique
2.18, 3.45 A)
&rst
ixpk= 2814, nxpk= 10, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 606, 607,
&end
#
# 45 ASN HB- 45 ASN HD2- 3.50 (# 2815:10 Unique
2.30, 3.44 A)
&rst
ixpk= 2815, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 601, 602,
igr2= 606, 607,
&end
#
# 75 ILE HB 150 GLN HE2+ 5.50 (# 2816:10 Unique
3.20, 4.30 A)
&rst
ixpk= 2816, nxpk= 10, iat=1082, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2267,2268,
&end
#
# 131 ALA HN 126 GLN HE2+ 5.50 (# 2819:10 Unique
5.22, 5.98 A)
&rst
ixpk= 2819, nxpk= 10, iat=1977, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1905,1906,
&end
#
# 12 MET HB+ 10 ASN HD2+ 5.50 (# 2820:10 Unique
5.22, 6.40 A)
&rst
ixpk= 2820, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 164, 165,
igr2= 144, 145,
&end
#
# 12 MET HB- 10 ASN HD2+ 5.50 (# 2821:10 Unique
5.22, 6.40 A)
&rst
ixpk= 2821, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 164, 165,
igr2= 144, 145,
&end
#
# 0 AMB 10-2:2822 100 GLN HE2- 4.50 (# 2822:10 Single
Ambig)
&rst
ixpk= 2822, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1475,1492,
igr2=1487,1488,
&end
#
# 0 AMB 10-2:2824 117 ILE HN 4.50 (# 2824:10 Single
Ambig)
&rst
ixpk= 2824, nxpk= 10, iat= -1,1744, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1725,1726,1006,1007,
&end
#
# 75 ILE HG1- 145 ASN HD2+ 5.50 (# 2825:10 Unique
2.51, 3.44 A)
&rst
ixpk= 2825, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1088,1089,
igr2=2206,2207,
&end
#
# 0 AMB 10-2:2826 117 ILE HN 4.50 (# 2826:10 Single
Ambig)
&rst
ixpk= 2826, nxpk= 10, iat= -1,1744, r1= 1.30, r2= 1.80, r3= 5.88, r4=
6.38,
igr1=1885,1886,1887,1934,1935,
&end
#
# 0 AMB 10-2:2827 0 AMB 10-1:2827 4.50 (# 2827:10 Double
Ambig)
&rst
ixpk= 2827, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1=1475,1492,
igr2=1487,1488,1487,1488,
&end
#
# 0 AMB 10-2:2828 0 AMB 10-1:2828 5.50 (# 2828:10 Double
Ambig)
&rst
ixpk= 2828, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1= 627,1448,
igr2=1487,1488,1487,1488,
&end
#
# 0 AMB 10-2:2831 138 ARG HE 5.50 (# 2831:10 Single
Ambig)
&rst
ixpk= 2831, nxpk= 10, iat= -1,2099, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=2227,2022,
&end
#
# 57 ARG HN 57 ARG HE 5.50 (# 2834:10 Unique
4.16, 4.57 A)
&rst
ixpk= 2834, nxpk= 10, iat= 797, 810, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 44 GLU HG- 45 ASN HD2- 5.50 (# 2837:10 Unique
2.89, 6.46 A)
&rst
ixpk= 2837, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 589, 590,
igr2= 606, 607,
&end
#
# 42 ALA HA 45 ASN HD2- 5.50 (# 2838:10 Unique
3.98, 5.35 A)
&rst
ixpk= 2838, nxpk= 10, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 606, 607,
&end
#
# 0 AMB 10-2:2839 0 AMB 10-1:2839 2.80 (# 2839:10 Double
Ambig)
&rst
ixpk= 2839, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4=
4.46,
igr1=2155,2156,2220,2221,
igr2=2151,2225,
&end
#
# 0 AMB 10-2:2840 0 AMB 10-1:2840 5.50 (# 2840:10 Double
Ambig)
&rst
ixpk= 2840, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=2197, 432,2255,
igr2=2225,2151,
&end
#
# 0 AMB 10-2:2841 22 LEU HN 4.50 (# 2841:10 Single
Ambig)
&rst
ixpk= 2841, nxpk= 10, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1= 272, 273, 274, 276, 277, 278,2038,2039,2040,2042,
2043,2044,
&end
#
# 0 AMB 10-2:2842 8 VAL HN 4.50 (# 2842:10 Single
Ambig)
&rst
ixpk= 2842, nxpk= 10, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 6.49, r4=
6.99,
igr1= 865, 866, 867, 884, 885, 886, 888, 889, 890,
&end
#
# 40 GLY HA+ 42 ALA HN 4.50 (# 2843:10 Unique
3.37, 3.96 A)
&rst
ixpk= 2843, nxpk= 10, iat= -1, 558, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 542, 543,
&end
#
# 128 ILE QG2 18 ALA HN 5.50 (# 2844:10 Unique
4.82, 5.37 A)
&rst
ixpk= 2844, nxpk= 10, iat= -1, 232, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1930,1931,1932,
&end
#
# 8 VAL MGX 61 VAL HN 4.50 (# 2845:10 Unique
3.06, 5.27 A)
&rst
ixpk= 2845, nxpk= 10, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1= 118, 119, 120, 122, 123, 124,
&end
#
# 0 AMB 10-2:2846 61 VAL HN 4.50 (# 2846:10 Single
Ambig)
&rst
ixpk= 2846, nxpk= 10, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 7.64, r4=
8.14,
igr1= 291, 292, 293, 295, 296, 297, 91, 92, 93, 95,
96, 97, 830, 831, 832, 834, 835, 836,2038,2039,
2040,2042,2043,2044,
&end
#
# 0 AMB 10-2:2847 64 THR HN 5.50 (# 2847:10 Single
Ambig)
&rst
ixpk= 2847, nxpk= 10, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1722,1723,1725,1726,
&end
#
# 0 AMB 10-2:2848 21 LEU HN 3.50 (# 2848:10 Single
Ambig)
&rst
ixpk= 2848, nxpk= 10, iat= -1, 263, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1=1993,1994,1995,1997,1998,1999, 291, 292, 293, 295,
296, 297,
&end
#
# 47 ILE HG1- 47 ILE HN 2.80 (# 2849:10 Unique
2.23, 3.00 A)
&rst
ixpk= 2849, nxpk= 10, iat= -1, 623, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1= 633, 634,
&end
#
# 0 AMB 10-2:2850 0 AMB 10-1:2850 3.50 (# 2850:10 Double
Ambig)
&rst
ixpk= 2850, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1=1158,1159, 615, 616,
igr2=1166, 623,
&end
#
# 103 GLU HN 105 ILE HN 4.50 (# 2851:10 Unique
3.90, 4.28 A)
&rst
ixpk= 2851, nxpk= 10, iat=1533,1560, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 114 GLN HE2- 68 LEU HN 4.50 (# 2852:10 Unique
3.69, 4.12 A)
&rst
ixpk= 2852, nxpk= 10, iat= -1, 966, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1713,1714,
&end
#
# 31 LYS HG- 140 GLU HN 4.50 (# 2853:10 Unique
3.23, 4.62 A)
&rst
ixpk= 2853, nxpk= 10, iat= -1,2129, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 410, 411,
&end
#
# 68 LEU MDY 69 ASN HN 3.50 (# 2854:10 Unique
4.05, 4.98 A)
&rst
ixpk= 2854, nxpk= 10, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 975, 976, 977, 979, 980, 981,
&end
#
# 68 LEU MDX 67 GLY HN 5.50 (# 2855:10 Unique
5.49, 6.62 A)
&rst
ixpk= 2855, nxpk= 10, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 975, 976, 977, 979, 980, 981,
&end
#
# 143 GLU HN 146 GLY HN 5.50 (# 2856:10 Unique
2.32, 2.85 A)
&rst
ixpk= 2856, nxpk= 10, iat=2175,2211, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 10-2:2857 51 ARG HN 4.50 (# 2857:10 Single
Ambig)
&rst
ixpk= 2857, nxpk= 10, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1= 770, 771, 713,
&end
#
# 0 AMB 10-2:2858 0 AMB 10-1:2858 5.50 (# 2858:10 Double
Ambig)
&rst
ixpk= 2858, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4=
9.40,
igr1= 869, 870, 804, 805, 804, 805,1088,1089, 863,
igr2= 82,2161,
&end
#
# 88 THR MG2 88 THR HB 2.80 (# 0:20 Unique
2.39, 2.68 A)
&rst
ixpk= 0, nxpk= 20, iat= -1,1285, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr1=1287,1288,1289,
&end
#
# 55 PRO HA 2 THR HB 3.50 (# 1:20 Unique
1.99, 2.11 A)
&rst
ixpk= 1, nxpk= 20, iat= 779, 25, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
&end
#
# 2 THR MG2 2 THR HB 2.80 (# 2:20 Unique
2.44, 2.68 A)
&rst
ixpk= 2, nxpk= 20, iat= -1, 25, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 27, 28, 29,
&end
#
# 0 AMB 20-2:3 75 ILE QD1 5.50 (# 3:20 Single
Ambig)
&rst
ixpk= 3, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1675,2245, 859,
igr2=1091,1092,1093,
&end
#
# 76 ILE HN 75 ILE QD1 4.50 (# 4:20 Unique
3.86, 4.59 A)
&rst
ixpk= 4, nxpk= 20, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1091,1092,1093,
&end
#
# 148 PHE HD 75 ILE QD1 4.50 (# 5:20 Unique
3.19, 5.20 A)
&rst
ixpk= 5, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2233,2241,
igr2=1091,1092,1093,
&end
#
# 142 TRP HZ2 75 ILE QD1 4.50 (# 6:20 Unique
2.99, 6.09 A)
&rst
ixpk= 6, nxpk= 20, iat=2164, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1091,1092,1093,
&end
#
# 0 AMB 20-2:7 75 ILE QD1 2.80 (# 7:20 Single
Ambig)
&rst
ixpk= 7, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1080,2199,
igr2=1091,1092,1093,
&end
#
# 145 ASN HB+ 75 ILE QD1 4.50 (# 8:20 Unique
2.48, 5.24 A)
&rst
ixpk= 8, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2201,2202,
igr2=1091,1092,1093,
&end
#
# 0 AMB 20-2:9 75 ILE QD1 4.50 (# 9:20 Single
Ambig)
&rst
ixpk= 9, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2229,2230,2201,2202,
igr2=1091,1092,1093,
&end
#
# 148 PHE HB- 75 ILE QD1 4.50 (# 10:20 Unique
2.18, 3.39 A)
&rst
ixpk= 10, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2229,2230,
igr2=1091,1092,1093,
&end
#
# 0 AMB 20-2:11 75 ILE QD1 3.50 (# 11:20 Single
Ambig)
&rst
ixpk= 11, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1660,1661,1082,
igr2=1091,1092,1093,
&end
#
# 75 ILE HG1+ 75 ILE QD1 2.80 (# 12:20 Unique
2.34, 2.67 A)
&rst
ixpk= 12, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1088,1089,
igr2=1091,1092,1093,
&end
#
# 111 LEU MDX 75 ILE QD1 2.80 (# 13:20 Unique
2.21, 4.93 A)
&rst
ixpk= 13, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1665,1666,1667,1669,1670,1671,
igr2=1091,1092,1093,
&end
#
# 56 THR HN 56 THR HB 4.50 (# 14:20 Unique
2.05, 2.18 A)
&rst
ixpk= 14, nxpk= 20, iat= 783, 787, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
&end
#
# 57 ARG HN 56 THR HB 4.50 (# 15:20 Unique
2.40, 2.50 A)
&rst
ixpk= 15, nxpk= 20, iat= 797, 787, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
&end
#
# 56 THR HA 56 THR HB 3.50 (# 16:20 Unique
2.95, 2.96 A)
&rst
ixpk= 16, nxpk= 20, iat= 785, 787, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
&end
#
# 56 THR MG2 56 THR HB 2.80 (# 17:20 Unique
2.24, 2.61 A)
&rst
ixpk= 17, nxpk= 20, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 789, 790, 791,
&end
#
# 89 THR MG2 89 THR HB 2.80 (# 18:20 Unique
2.34, 2.65 A)
&rst
ixpk= 18, nxpk= 20, iat= -1,1299, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1301,1302,1303,
&end
#
# 134 THR HN 134 THR HB 4.50 (# 21:20 Unique
2.17, 2.22 A)
&rst
ixpk= 21, nxpk= 20, iat=2018,2022, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
&end
#
# 135 VAL HN 134 THR HB 5.50 (# 22:20 Unique
2.76, 2.94 A)
&rst
ixpk= 22, nxpk= 20, iat=2032,2022, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
&end
#
# 131 ALA HA 134 THR HB 4.50 (# 23:20 Unique
2.11, 2.18 A)
&rst
ixpk= 23, nxpk= 20, iat=1979,2022, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
&end
#
# 134 THR MG2 134 THR HB 3.50 (# 24:20 Unique
2.31, 2.59 A)
&rst
ixpk= 24, nxpk= 20, iat= -1,2022, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=2024,2025,2026,
&end
#
# 0 AMB 20-2:25 134 THR HB 3.50 (# 25:20 Single
Ambig)
&rst
ixpk= 25, nxpk= 20, iat= -1,2022, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1048,1049,1050,2038,2039,2040,2042,2043,2044,
&end
#
# 135 VAL HN 135 VAL HA 3.50 (# 26:20 Unique
2.86, 2.88 A)
&rst
ixpk= 26, nxpk= 20, iat=2032,2034, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
&end
#
# 0 AMB 20-2:29 135 VAL HA 3.50 (# 29:20 Single
Ambig)
&rst
ixpk= 29, nxpk= 20, iat= -1,2034, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=2036,2090,2091,2090,2091,
&end
#
# 135 VAL MGY 135 VAL HA 2.80 (# 30:20 Unique
2.49, 3.31 A)
&rst
ixpk= 30, nxpk= 20, iat= -1,2034, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=2038,2039,2040,2042,2043,2044,
&end
#
# 132 VAL HN 132 VAL HA 4.50 (# 31:20 Unique
2.86, 2.87 A)
&rst
ixpk= 31, nxpk= 20, iat=1987,1989, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
&end
#
# 0 AMB 20-2:32 132 VAL HA 3.50 (# 32:20 Single
Ambig)
&rst
ixpk= 32, nxpk= 20, iat= -1,1989, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2036,1991,
&end
#
# 132 VAL MGY 132 VAL HA 2.80 (# 33:20 Unique
2.40, 3.12 A)
&rst
ixpk= 33, nxpk= 20, iat= -1,1989, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1993,1994,1995,1997,1998,1999,
&end
#
# 0 AMB 20-2:34 132 VAL HA 2.80 (# 34:20 Single
Ambig)
&rst
ixpk= 34, nxpk= 20, iat= -1,1989, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2038,2039,2040,2042,2043,2044,1993,1994,1995,1997,
1998,1999,
&end
#
# 0 AMB 20-2:35 132 VAL HA 3.50 (# 35:20 Single
Ambig)
&rst
ixpk= 35, nxpk= 20, iat= -1,1989, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1695,1696,1697,1045,1046,
&end
#
# 0 AMB 20-2:36 134 THR HA 3.50 (# 36:20 Single
Ambig)
&rst
ixpk= 36, nxpk= 20, iat= -1,2020, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2081,2082,2018,2069,
&end
#
# 134 THR MG2 134 THR HA 3.50 (# 37:20 Unique
2.63, 3.41 A)
&rst
ixpk= 37, nxpk= 20, iat= -1,2020, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=2024,2025,2026,
&end
#
# 48 VAL HN 48 VAL HA 3.50 (# 39:20 Unique
2.85, 2.87 A)
&rst
ixpk= 39, nxpk= 20, iat= 642, 644, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
&end
#
# 0 AMB 20-2:40 48 VAL HA 3.50 (# 40:20 Single
Ambig)
&rst
ixpk= 40, nxpk= 20, iat= -1, 644, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 646, 715, 716, 715, 716,
&end
#
# 48 VAL MGY 48 VAL HA 2.80 (# 41:20 Unique
2.49, 3.18 A)
&rst
ixpk= 41, nxpk= 20, iat= -1, 644, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 648, 649, 650, 652, 653, 654,
&end
#
# 47 ILE HN 47 ILE HA 3.50 (# 42:20 Unique
2.78, 2.79 A)
&rst
ixpk= 42, nxpk= 20, iat= 623, 625, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
&end
#
# 0 AMB 20-2:43 0 AMB 20-1:43 2.80 (# 43:20 Double
Ambig)
&rst
ixpk= 43, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 733, 672, 627, 773, 774,
igr2= 670, 625,
&end
#
# 127 PRO HG+ 127 PRO HA 4.50 (# 44:20 Unique
2.96, 3.89 A)
&rst
ixpk= 44, nxpk= 20, iat= -1,1920, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1914,1915,
&end
#
# 127 PRO HG- 127 PRO HA 4.50 (# 45:20 Unique
2.96, 3.89 A)
&rst
ixpk= 45, nxpk= 20, iat= -1,1920, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1914,1915,
&end
#
# 50 ILE HN 0 AMB 20-1:46 3.50 (# 46:20 Single
Ambig)
&rst
ixpk= 46, nxpk= 20, iat= 668, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 670, 625,
&end
#
# 101 LEU MDY 47 ILE HA 2.80 (# 47:20 Unique
2.12, 3.80 A)
&rst
ixpk= 47, nxpk= 20, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1501,1502,1503,1505,1506,1507,
&end
#
# 98 ILE HN 98 ILE HA 4.50 (# 48:20 Unique
2.76, 2.81 A)
&rst
ixpk= 48, nxpk= 20, iat=1444,1446, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
&end
#
# 0 AMB 20-2:49 98 ILE HA 3.50 (# 49:20 Single
Ambig)
&rst
ixpk= 49, nxpk= 20, iat= -1,1446, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1448,1515,1516,
&end
#
# 98 ILE HG1- 98 ILE HA 3.50 (# 50:20 Unique
2.30, 2.59 A)
&rst
ixpk= 50, nxpk= 20, iat= -1,1446, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1454,1455,
&end
#
# 0 AMB 20-2:51 98 ILE HA 2.80 (# 51:20 Single
Ambig)
&rst
ixpk= 51, nxpk= 20, iat= -1,1446, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1501,1502,1503,1505,1506,1507,1454,1455,1450,1451,
1452,1607,1608,1609,1611,1612,1613,1607,1608,1609,
1611,1612,1613,
&end
#
# 0 AMB 20-2:52 98 ILE HA 2.80 (# 52:20 Single
Ambig)
&rst
ixpk= 52, nxpk= 20, iat= -1,1446, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1501,1502,1503,1505,1506,1507,1434,1435,1436,1438,
1439,1440,
&end
#
# 0 AMB 20-2:53 127 PRO HA 3.50 (# 53:20 Single
Ambig)
&rst
ixpk= 53, nxpk= 20, iat= -1,1920, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1969,1970,1969,1970,
&end
#
# 127 PRO HB+ 127 PRO HA 2.80 (# 54:20 Unique
2.25, 2.54 A)
&rst
ixpk= 54, nxpk= 20, iat= -1,1920, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1917,1918,
&end
#
# 127 PRO HB- 127 PRO HA 3.50 (# 55:20 Unique
2.25, 2.54 A)
&rst
ixpk= 55, nxpk= 20, iat= -1,1920, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1917,1918,
&end
#
# 0 AMB 20-2:56 20 PRO HA 4.50 (# 56:20 Single
Ambig)
&rst
ixpk= 56, nxpk= 20, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 301, 263, 282,
&end
#
# 20 PRO HB+ 20 PRO HA 3.50 (# 57:20 Unique
2.35, 2.70 A)
&rst
ixpk= 57, nxpk= 20, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 256, 257,
&end
#
# 20 PRO HG+ 20 PRO HA 4.50 (# 58:20 Unique
2.72, 3.30 A)
&rst
ixpk= 58, nxpk= 20, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 253, 254,
&end
#
# 20 PRO HB- 20 PRO HA 3.50 (# 59:20 Unique
2.35, 2.70 A)
&rst
ixpk= 59, nxpk= 20, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 256, 257,
&end
#
# 23 ALA MB 20 PRO HA 3.50 (# 60:20 Unique
2.34, 3.22 A)
&rst
ixpk= 60, nxpk= 20, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 305, 306, 307,
&end
#
# 128 ILE HN 128 ILE HA 5.50 (# 61:20 Unique
2.79, 2.83 A)
&rst
ixpk= 61, nxpk= 20, iat=1924,1926, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
&end
#
# 0 AMB 20-2:62 128 ILE HA 4.50 (# 62:20 Single
Ambig)
&rst
ixpk= 62, nxpk= 20, iat= -1,1926, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1928,1914,1915,
&end
#
# 0 AMB 20-2:63 128 ILE HA 2.80 (# 63:20 Single
Ambig)
&rst
ixpk= 63, nxpk= 20, iat= -1,1926, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1=1981,1982,1983,1934,1935,
&end
#
# 128 ILE QG2 128 ILE HA 2.80 (# 64:20 Unique
2.59, 3.24 A)
&rst
ixpk= 64, nxpk= 20, iat= -1,1926, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1930,1931,1932,
&end
#
# 113 ILE QG2 128 ILE HA 4.50 (# 65:20 Unique
2.92, 3.42 A)
&rst
ixpk= 65, nxpk= 20, iat= -1,1926, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1688,1689,1690,
&end
#
# 0 AMB 20-2:66 78 PRO HA 2.80 (# 66:20 Single
Ambig)
&rst
ixpk= 66, nxpk= 20, iat= -1,1138, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1135,1136,1132,1133,
&end
#
# 78 PRO HG- 78 PRO HA 4.50 (# 67:20 Unique
2.57, 3.67 A)
&rst
ixpk= 67, nxpk= 20, iat= -1,1138, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1132,1133,
&end
#
# 81 ILE HG1- 78 PRO HA 4.50 (# 68:20 Unique
2.48, 3.62 A)
&rst
ixpk= 68, nxpk= 20, iat= -1,1138, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1176,1177,
&end
#
# 0 AMB 20-2:69 78 PRO HA 4.50 (# 69:20 Single
Ambig)
&rst
ixpk= 69, nxpk= 20, iat= -1,1138, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1176,1177,1450,1451,1452,
&end
#
# 81 ILE QG2 78 PRO HA 3.50 (# 70:20 Unique
3.37, 4.32 A)
&rst
ixpk= 70, nxpk= 20, iat= -1,1138, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1172,1173,1174,
&end
#
# 81 ILE QD1 78 PRO HA 3.50 (# 71:20 Unique
2.05, 3.09 A)
&rst
ixpk= 71, nxpk= 20, iat= -1,1138, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1179,1180,1181,
&end
#
# 46 ASP HN 43 PRO HA 4.50 (# 74:20 Unique
3.28, 3.46 A)
&rst
ixpk= 74, nxpk= 20, iat= 611, 578, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
&end
#
# 0 AMB 20-2:75 43 PRO HA 3.50 (# 75:20 Single
Ambig)
&rst
ixpk= 75, nxpk= 20, iat= -1, 578, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 535, 536, 569, 570,
&end
#
# 0 AMB 20-2:76 43 PRO HA 2.80 (# 76:20 Single
Ambig)
&rst
ixpk= 76, nxpk= 20, iat= -1, 578, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 575, 576, 575, 576,
&end
#
# 0 AMB 20-2:77 43 PRO HA 3.50 (# 77:20 Single
Ambig)
&rst
ixpk= 77, nxpk= 20, iat= -1, 578, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 118, 119, 120, 122, 123, 124,1434,1435,1436,1438,
1439,1440, 681, 682, 683,
&end
#
# 71 GLY HN 70 PRO HA 3.50 (# 78:20 Unique
2.17, 2.20 A)
&rst
ixpk= 78, nxpk= 20, iat=1013,1009, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
&end
#
# 0 AMB 20-2:79 70 PRO HA 2.80 (# 79:20 Single
Ambig)
&rst
ixpk= 79, nxpk= 20, iat= -1,1009, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1006,1007,1708,1709,
&end
#
# 128 ILE QD1 70 PRO HA 4.50 (# 80:20 Unique
2.72, 3.65 A)
&rst
ixpk= 80, nxpk= 20, iat= -1,1009, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1937,1938,1939,
&end
#
# 30 PRO HB+ 30 PRO HA 3.50 (# 83:20 Unique
2.26, 2.52 A)
&rst
ixpk= 83, nxpk= 20, iat= -1, 399, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 396, 397,
&end
#
# 30 PRO HG+ 30 PRO HA 4.50 (# 84:20 Unique
2.93, 3.93 A)
&rst
ixpk= 84, nxpk= 20, iat= -1, 399, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 393, 394,
&end
#
# 94 LEU HN 93 PRO HA 2.80 (# 85:20 Unique
2.35, 2.56 A)
&rst
ixpk= 85, nxpk= 20, iat=1371,1367, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,
&end
#
# 93 PRO HB+ 93 PRO HA 2.80 (# 86:20 Unique
2.30, 2.54 A)
&rst
ixpk= 86, nxpk= 20, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1364,1365,
&end
#
# 41 SER HA 41 SER HB+ 3.50 (# 87:20 Unique
2.17, 2.47 A)
&rst
ixpk= 87, nxpk= 20, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 551, 552,
&end
#
# 41 SER HA 41 SER HB- 3.50 (# 89:20 Unique
2.17, 2.47 A)
&rst
ixpk= 89, nxpk= 20, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 551, 552,
&end
#
# 70 PRO HB- 70 PRO HA 4.50 (# 91:20 Unique
2.23, 2.53 A)
&rst
ixpk= 91, nxpk= 20, iat= -1,1009, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1006,1007,
&end
#
# 0 AMB 20-2:92 26 CYS HA 4.50 (# 92:20 Single
Ambig)
&rst
ixpk= 92, nxpk= 20, iat= -1, 350, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 348, 359,
&end
#
# 26 CYS HB- 26 CYS HA 3.50 (# 94:20 Unique
2.44, 2.78 A)
&rst
ixpk= 94, nxpk= 20, iat= -1, 350, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 352, 353,
&end
#
# 26 CYS HB+ 26 CYS HA 4.50 (# 95:20 Unique
2.44, 2.78 A)
&rst
ixpk= 95, nxpk= 20, iat= -1, 350, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 352, 353,
&end
#
# 56 THR MG2 56 THR HA 2.80 (# 96:20 Unique
2.45, 3.22 A)
&rst
ixpk= 96, nxpk= 20, iat= -1, 785, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 789, 790, 791,
&end
#
# 56 THR HN 55 PRO HA 2.80 (# 97:20 Unique
2.12, 2.23 A)
&rst
ixpk= 97, nxpk= 20, iat= 783, 779, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,
&end
#
# 57 ARG HN 55 PRO HA 5.50 (# 98:20 Unique
3.57, 3.71 A)
&rst
ixpk= 98, nxpk= 20, iat= 797, 779, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
&end
#
# 0 AMB 20-2:99 55 PRO HA 2.80 (# 99:20 Single
Ambig)
&rst
ixpk= 99, nxpk= 20, iat= -1, 779, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 776, 777, 773, 774,
&end
#
# 2 THR MG2 55 PRO HA 4.50 (# 100:20 Unique
2.87, 3.96 A)
&rst
ixpk= 100, nxpk= 20, iat= -1, 779, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1= 27, 28, 29,
&end
#
# 0 AMB 20-2:101 55 PRO HA 4.50 (# 101:20 Single
Ambig)
&rst
ixpk= 101, nxpk= 20, iat= -1, 779, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1= 53, 54, 55, 57, 58, 59,1570,1571,
&end
#
# 36 VAL HN 35 VAL HA 2.80 (# 102:20 Unique
2.11, 2.14 A)
&rst
ixpk= 102, nxpk= 20, iat= 486, 472, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 35 VAL HB 35 VAL HA 4.50 (# 103:20 Unique
3.02, 3.04 A)
&rst
ixpk= 103, nxpk= 20, iat= 474, 472, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 35 VAL MGX 35 VAL HA 2.80 (# 104:20 Unique
2.39, 3.14 A)
&rst
ixpk= 104, nxpk= 20, iat= -1, 472, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1= 476, 477, 478, 480, 481, 482,
&end
#
# 35 VAL MGY 35 VAL HA 2.80 (# 105:20 Unique
2.39, 3.14 A)
&rst
ixpk= 105, nxpk= 20, iat= -1, 472, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1= 476, 477, 478, 480, 481, 482,
&end
#
# 11 SER HN 11 SER HB- 4.50 (# 106:20 Unique
2.79, 3.11 A)
&rst
ixpk= 106, nxpk= 20, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 153, 154,
&end
#
# 20 PRO HB- 11 SER HB- 5.50 (# 107:20 Unique
2.77, 3.69 A)
&rst
ixpk= 107, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 256, 257,
igr2= 153, 154,
&end
#
# 0 AMB 20-2:108 81 ILE HA 4.50 (# 108:20 Single
Ambig)
&rst
ixpk= 108, nxpk= 20, iat= -1,1168, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1227,1185,
&end
#
# 81 ILE HN 81 ILE HA 4.50 (# 109:20 Unique
2.77, 2.84 A)
&rst
ixpk= 109, nxpk= 20, iat=1166,1168, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 81 ILE HB 81 ILE HA 3.50 (# 110:20 Unique
3.02, 3.04 A)
&rst
ixpk= 110, nxpk= 20, iat=1170,1168, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 81 ILE HG1+ 81 ILE HA 4.50 (# 111:20 Unique
2.35, 2.65 A)
&rst
ixpk= 111, nxpk= 20, iat= -1,1168, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1176,1177,
&end
#
# 81 ILE QG2 81 ILE HA 3.50 (# 112:20 Unique
2.85, 3.38 A)
&rst
ixpk= 112, nxpk= 20, iat= -1,1168, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1=1172,1173,1174,
&end
#
# 81 ILE QD1 81 ILE HA 4.50 (# 113:20 Unique
4.39, 4.61 A)
&rst
ixpk= 113, nxpk= 20, iat= -1,1168, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1=1179,1180,1181,
&end
#
# 89 THR MG2 89 THR HA 2.80 (# 114:20 Unique
2.39, 3.08 A)
&rst
ixpk= 114, nxpk= 20, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr1=1301,1302,1303,
&end
#
# 154 GLU HN 153 VAL HA 3.50 (# 115:20 Unique
2.44, 2.58 A)
&rst
ixpk= 115, nxpk= 20, iat=2317,2303, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 153 VAL HN 153 VAL HA 3.50 (# 116:20 Unique
2.21, 2.61 A)
&rst
ixpk= 116, nxpk= 20, iat=2301,2303, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 153 VAL HB 153 VAL HA 3.50 (# 117:20 Unique
2.35, 2.75 A)
&rst
ixpk= 117, nxpk= 20, iat=2305,2303, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 20-2:118 153 VAL HA 2.80 (# 118:20 Single
Ambig)
&rst
ixpk= 118, nxpk= 20, iat= -1,2303, r1= 1.30, r2= 1.80, r3= 4.24, r4=
4.74,
igr1=2307,2308,2309,2311,2312,2313,2307,2308,2309,2311,
2312,2313,
&end
#
# 0 AMB 20-2:119 2 THR HA 2.80 (# 119:20 Single
Ambig)
&rst
ixpk= 119, nxpk= 20, iat= -1, 23, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1= 35, 21,
&end
#
# 2 THR MG2 2 THR HA 3.50 (# 120:20 Unique
2.38, 3.03 A)
&rst
ixpk= 120, nxpk= 20, iat= -1, 23, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1= 27, 28, 29,
&end
#
# 116 ASP HN 115 PRO HA 3.50 (# 121:20 Unique
2.33, 2.40 A)
&rst
ixpk= 121, nxpk= 20, iat=1732,1728, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 15 ASP HB+ 115 PRO HA 4.50 (# 122:20 Unique
2.51, 2.97 A)
&rst
ixpk= 122, nxpk= 20, iat= -1,1728, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 205, 206,
&end
#
# 0 AMB 20-2:123 115 PRO HA 3.50 (# 123:20 Single
Ambig)
&rst
ixpk= 123, nxpk= 20, iat= -1,1728, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1725,1726,1722,1723,
&end
#
# 128 ILE HG1- 115 PRO HA 3.50 (# 124:20 Unique
2.06, 2.59 A)
&rst
ixpk= 124, nxpk= 20, iat= -1,1728, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1934,1935,
&end
#
# 128 ILE QD1 115 PRO HA 2.80 (# 125:20 Unique
2.49, 3.51 A)
&rst
ixpk= 125, nxpk= 20, iat= -1,1728, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr1=1937,1938,1939,
&end
#
# 124 MET HN 123 PRO HA 2.80 (# 126:20 Unique
2.23, 2.33 A)
&rst
ixpk= 126, nxpk= 20, iat=1862,1858, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 123 PRO HB+ 123 PRO HA 2.80 (# 127:20 Unique
2.32, 2.52 A)
&rst
ixpk= 127, nxpk= 20, iat= -1,1858, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1=1855,1856,
&end
#
# 123 PRO HG- 123 PRO HA 3.50 (# 128:20 Unique
3.84, 3.99 A)
&rst
ixpk= 128, nxpk= 20, iat= -1,1858, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1852,1853,
&end
#
# 123 PRO HB- 123 PRO HA 3.50 (# 129:20 Unique
2.32, 2.52 A)
&rst
ixpk= 129, nxpk= 20, iat= -1,1858, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1855,1856,
&end
#
# 125 THR MG2 125 THR HA 2.80 (# 130:20 Unique
2.39, 3.05 A)
&rst
ixpk= 130, nxpk= 20, iat= -1,1881, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr1=1885,1886,1887,
&end
#
# 126 GLN HN 125 THR HA 2.80 (# 131:20 Unique
2.21, 2.32 A)
&rst
ixpk= 131, nxpk= 20, iat=1893,1881, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 88 THR MG2 88 THR HA 3.50 (# 132:20 Unique
2.46, 3.26 A)
&rst
ixpk= 132, nxpk= 20, iat= -1,1283, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1=1287,1288,1289,
&end
#
# 118 VAL HN 118 VAL HA 4.50 (# 133:20 Unique
2.71, 2.92 A)
&rst
ixpk= 133, nxpk= 20, iat=1763,1765, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 119 GLY HN 118 VAL HA 2.80 (# 134:20 Unique
2.11, 2.17 A)
&rst
ixpk= 134, nxpk= 20, iat=1779,1765, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 118 VAL HB 118 VAL HA 3.50 (# 135:20 Unique
2.55, 3.02 A)
&rst
ixpk= 135, nxpk= 20, iat=1767,1765, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 118 VAL MGX 118 VAL HA 2.80 (# 136:20 Unique
2.35, 3.20 A)
&rst
ixpk= 136, nxpk= 20, iat= -1,1765, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1=1769,1770,1771,1773,1774,1775,
&end
#
# 65 ASP HN 64 THR HA 2.80 (# 137:20 Unique
2.22, 2.25 A)
&rst
ixpk= 137, nxpk= 20, iat= 930, 918, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 64 THR HN 64 THR HA 4.50 (# 138:20 Unique
2.93, 2.95 A)
&rst
ixpk= 138, nxpk= 20, iat= 916, 918, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 20-2:139 64 THR HA 4.50 (# 139:20 Single
Ambig)
&rst
ixpk= 139, nxpk= 20, iat= -1, 918, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1= 920,1719,1720,
&end
#
# 64 THR MG2 64 THR HA 2.80 (# 140:20 Unique
2.25, 2.95 A)
&rst
ixpk= 140, nxpk= 20, iat= -1, 918, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr1= 922, 923, 924,
&end
#
# 132 VAL HB 129 LYS HA 4.50 (# 141:20 Unique
2.82, 2.91 A)
&rst
ixpk= 141, nxpk= 20, iat=1991,1945, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 20-2:142 129 LYS HA 3.50 (# 142:20 Single
Ambig)
&rst
ixpk= 142, nxpk= 20, iat= -1,1945, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1943,2003,
&end
#
# 129 LYS HB- 129 LYS HA 2.80 (# 143:20 Unique
2.44, 2.82 A)
&rst
ixpk= 143, nxpk= 20, iat= -1,1945, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1=1947,1948,
&end
#
# 129 LYS HG+ 129 LYS HA 3.50 (# 144:20 Unique
2.34, 2.76 A)
&rst
ixpk= 144, nxpk= 20, iat= -1,1945, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1950,1951,
&end
#
# 0 AMB 20-2:145 129 LYS HA 3.50 (# 145:20 Single
Ambig)
&rst
ixpk= 145, nxpk= 20, iat= -1,1945, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1930,1931,1932,1993,1994,1995,1997,1998,1999,
&end
#
# 21 LEU MDX 129 LYS HA 3.50 (# 146:20 Unique
2.35, 4.12 A)
&rst
ixpk= 146, nxpk= 20, iat= -1,1945, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 272, 273, 274, 276, 277, 278,
&end
#
# 5 LEU HN 4 VAL HA 2.80 (# 149:20 Unique
2.13, 2.21 A)
&rst
ixpk= 149, nxpk= 20, iat= 63, 49, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 0 AMB 20-2:151 4 VAL HA 2.80 (# 151:20 Single
Ambig)
&rst
ixpk= 151, nxpk= 20, iat= -1, 49, r1= 1.30, r2= 1.80, r3= 4.35, r4=
4.85,
igr1= 53, 54, 55, 57, 58, 59, 476, 477, 478, 480,
481, 482, 67, 68,
&end
#
# 9 GLY HN 8 VAL HA 2.80 (# 152:20 Unique
2.25, 2.29 A)
&rst
ixpk= 152, nxpk= 20, iat= 128, 114, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 8 VAL HB 8 VAL HA 3.50 (# 153:20 Unique
3.03, 3.05 A)
&rst
ixpk= 153, nxpk= 20, iat= 116, 114, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 8 VAL MGY 8 VAL HA 2.80 (# 154:20 Unique
2.44, 3.19 A)
&rst
ixpk= 154, nxpk= 20, iat= -1, 114, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1= 118, 119, 120, 122, 123, 124,
&end
#
# 8 VAL MGX 8 VAL HA 3.50 (# 155:20 Unique
2.44, 3.19 A)
&rst
ixpk= 155, nxpk= 20, iat= -1, 114, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 118, 119, 120, 122, 123, 124,
&end
#
# 151 LEU HB+ 76 ILE HA 3.50 (# 156:20 Unique
2.96, 3.66 A)
&rst
ixpk= 156, nxpk= 20, iat= -1,1099, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=2276,2277,
&end
#
# 106 GLY HN 105 ILE HA 2.80 (# 157:20 Unique
2.19, 2.26 A)
&rst
ixpk= 157, nxpk= 20, iat=1579,1562, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 0 AMB 20-2:158 105 ILE HA 3.50 (# 158:20 Single
Ambig)
&rst
ixpk= 158, nxpk= 20, iat= -1,1562, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1560,1586,
&end
#
# 0 AMB 20-2:159 105 ILE HA 4.50 (# 159:20 Single
Ambig)
&rst
ixpk= 159, nxpk= 20, iat= -1,1562, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1=1581,1582, 747,
&end
#
# 105 ILE HG1- 105 ILE HA 3.50 (# 160:20 Unique
2.43, 2.78 A)
&rst
ixpk= 160, nxpk= 20, iat= -1,1562, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1570,1571,
&end
#
# 105 ILE HG1+ 105 ILE HA 3.50 (# 161:20 Unique
2.43, 2.78 A)
&rst
ixpk= 161, nxpk= 20, iat= -1,1562, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1570,1571,
&end
#
# 105 ILE QG2 105 ILE HA 2.80 (# 162:20 Unique
2.56, 3.21 A)
&rst
ixpk= 162, nxpk= 20, iat= -1,1562, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr1=1566,1567,1568,
&end
#
# 11 SER HN 11 SER HA 4.50 (# 163:20 Unique
2.63, 2.65 A)
&rst
ixpk= 163, nxpk= 20, iat= 149, 151, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 20-2:164 11 SER HA 4.50 (# 164:20 Single
Ambig)
&rst
ixpk= 164, nxpk= 20, iat= -1, 151, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 160, 225,
&end
#
# 11 SER HB- 11 SER HA 2.80 (# 165:20 Unique
2.31, 2.68 A)
&rst
ixpk= 165, nxpk= 20, iat= -1, 151, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1= 153, 154,
&end
#
# 0 AMB 20-2:166 11 SER HA 2.80 (# 166:20 Single
Ambig)
&rst
ixpk= 166, nxpk= 20, iat= -1, 151, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1= 227, 228, 227, 228,
&end
#
# 136 TYR HN 136 TYR HA 4.50 (# 167:20 Unique
2.76, 2.79 A)
&rst
ixpk= 167, nxpk= 20, iat=2048,2050, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 136 TYR HB+ 136 TYR HA 3.50 (# 169:20 Unique
2.22, 2.68 A)
&rst
ixpk= 169, nxpk= 20, iat= -1,2050, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=2052,2053,
&end
#
# 136 TYR HB- 136 TYR HA 3.50 (# 170:20 Unique
2.22, 2.68 A)
&rst
ixpk= 170, nxpk= 20, iat= -1,2050, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=2052,2053,
&end
#
# 139 LEU HG 136 TYR HA 4.50 (# 171:20 Unique
2.45, 3.39 A)
&rst
ixpk= 171, nxpk= 20, iat=2117,2050, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 22 LEU MDY 136 TYR HA 3.50 (# 172:20 Unique
2.35, 4.27 A)
&rst
ixpk= 172, nxpk= 20, iat= -1,2050, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 291, 292, 293, 295, 296, 297,
&end
#
# 0 AMB 20-2:173 136 TYR HA 4.50 (# 173:20 Single
Ambig)
&rst
ixpk= 173, nxpk= 20, iat= -1,2050, r1= 1.30, r2= 1.80, r3= 6.99, r4=
7.49,
igr1= 291, 292, 293, 295, 296, 297, 410, 411,2038,2039,
2040,2042,2043,2044,
&end
#
# 139 LEU MDX 136 TYR HA 2.80 (# 174:20 Unique
2.18, 4.40 A)
&rst
ixpk= 174, nxpk= 20, iat= -1,2050, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1=2119,2120,2121,2123,2124,2125,
&end
#
# 0 AMB 20-2:175 109 ILE HA 2.80 (# 175:20 Single
Ambig)
&rst
ixpk= 175, nxpk= 20, iat= -1,1619, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1=1636,1617,
&end
#
# 109 ILE HB 109 ILE HA 4.50 (# 176:20 Unique
3.02, 3.04 A)
&rst
ixpk= 176, nxpk= 20, iat=1621,1619, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 109 ILE HG1+ 109 ILE HA 3.50 (# 177:20 Unique
2.35, 3.17 A)
&rst
ixpk= 177, nxpk= 20, iat= -1,1619, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1627,1628,
&end
#
# 0 AMB 20-2:178 109 ILE HA 2.80 (# 178:20 Single
Ambig)
&rst
ixpk= 178, nxpk= 20, iat= -1,1619, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1=1623,1624,1625,1084,1085,1086,
&end
#
# 96 TYR HN 96 TYR HA 3.50 (# 179:20 Unique
2.78, 2.83 A)
&rst
ixpk= 179, nxpk= 20, iat=1404,1406, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 96 TYR HD 96 TYR HA 4.50 (# 180:20 Unique
3.31, 4.10 A)
&rst
ixpk= 180, nxpk= 20, iat= -1,1406, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1412,1421,
&end
#
# 0 AMB 20-2:181 96 TYR HA 2.80 (# 181:20 Single
Ambig)
&rst
ixpk= 181, nxpk= 20, iat= -1,1406, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1=1408,1409,1408,1409,
&end
#
# 99 ASP HB+ 96 TYR HA 3.50 (# 182:20 Unique
2.42, 3.34 A)
&rst
ixpk= 182, nxpk= 20, iat= -1,1406, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1467,1468,
&end
#
# 99 ASP HB- 96 TYR HA 4.50 (# 183:20 Unique
2.42, 3.34 A)
&rst
ixpk= 183, nxpk= 20, iat= -1,1406, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1467,1468,
&end
#
# 77 ASP HN 76 ILE HA 2.80 (# 184:20 Unique
2.12, 2.23 A)
&rst
ixpk= 184, nxpk= 20, iat=1116,1099, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 0 AMB 20-2:185 76 ILE HA 3.50 (# 185:20 Single
Ambig)
&rst
ixpk= 185, nxpk= 20, iat= -1,1099, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1=1107,1108,1101,
&end
#
# 118 VAL HN 117 ILE HA 3.50 (# 186:20 Unique
2.19, 2.28 A)
&rst
ixpk= 186, nxpk= 20, iat=1763,1746, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 117 ILE HN 117 ILE HA 4.50 (# 187:20 Unique
2.94, 2.95 A)
&rst
ixpk= 187, nxpk= 20, iat=1744,1746, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 117 ILE HB 117 ILE HA 3.50 (# 188:20 Unique
2.21, 2.27 A)
&rst
ixpk= 188, nxpk= 20, iat=1748,1746, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 20-2:189 117 ILE HA 3.50 (# 189:20 Single
Ambig)
&rst
ixpk= 189, nxpk= 20, iat= -1,1746, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1=1754,1755,1769,1770,1771,1773,1774,1775,
&end
#
# 0 AMB 20-2:190 0 AMB 20-1:190 4.50 (# 190:20 Double
Ambig)
&rst
ixpk= 190, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4=
8.68,
igr1=1769,1770,1771,1773,1774,1775, 53, 54, 55, 57,
58, 59, 735, 736, 737, 739, 740, 741,
igr2=1746, 504,
&end
#
# 51 ARG HN 51 ARG HA 4.50 (# 191:20 Unique
2.83, 2.85 A)
&rst
ixpk= 191, nxpk= 20, iat= 687, 689, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 20-2:192 51 ARG HA 3.50 (# 192:20 Single
Ambig)
&rst
ixpk= 192, nxpk= 20, iat= -1, 689, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1501,1502,1503,1505,1506,1507, 674, 675, 676,
&end
#
# 0 AMB 20-2:194 51 ARG HA 2.80 (# 194:20 Single
Ambig)
&rst
ixpk= 194, nxpk= 20, iat= -1, 689, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1= 691, 692, 691, 692,
&end
#
# 51 ARG HG+ 51 ARG HA 2.80 (# 195:20 Unique
2.41, 2.73 A)
&rst
ixpk= 195, nxpk= 20, iat= -1, 689, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1= 694, 695,
&end
#
# 37 ILE HG1+ 37 ILE HA 4.50 (# 200:20 Unique
2.26, 2.72 A)
&rst
ixpk= 200, nxpk= 20, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 512, 513,
&end
#
# 0 AMB 20-2:201 37 ILE HA 2.80 (# 201:20 Single
Ambig)
&rst
ixpk= 201, nxpk= 20, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1= 508, 509, 510, 515, 516, 517,
&end
#
# 38 ASP HN 37 ILE HA 2.80 (# 202:20 Unique
2.31, 2.35 A)
&rst
ixpk= 202, nxpk= 20, iat= 521, 504, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 24 GLU HG+ 24 GLU HA 4.50 (# 203:20 Unique
2.59, 3.15 A)
&rst
ixpk= 203, nxpk= 20, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 318, 319,
&end
#
# 27 ALA MB 24 GLU HA 3.50 (# 204:20 Unique
2.59, 3.44 A)
&rst
ixpk= 204, nxpk= 20, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1= 363, 364, 365,
&end
#
# 143 GLU HN 142 TRP HA 3.50 (# 205:20 Unique
2.14, 2.41 A)
&rst
ixpk= 205, nxpk= 20, iat=2175,2153, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 142 TRP HN 142 TRP HA 4.50 (# 206:20 Unique
2.65, 2.84 A)
&rst
ixpk= 206, nxpk= 20, iat=2151,2153, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 142 TRP HB- 142 TRP HA 4.50 (# 207:20 Unique
2.16, 2.59 A)
&rst
ixpk= 207, nxpk= 20, iat= -1,2153, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=2155,2156,
&end
#
# 126 GLN HN 126 GLN HA 4.50 (# 208:20 Unique
2.72, 2.76 A)
&rst
ixpk= 208, nxpk= 20, iat=1893,1895, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 20-2:209 126 GLN HA 3.50 (# 209:20 Single
Ambig)
&rst
ixpk= 209, nxpk= 20, iat= -1,1895, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1900,1901,1900,1901,
&end
#
# 0 AMB 20-2:210 126 GLN HA 2.80 (# 210:20 Single
Ambig)
&rst
ixpk= 210, nxpk= 20, iat= -1,1895, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1=1897,1898,1897,1898,
&end
#
# 0 AMB 20-2:211 25 LYS HA 4.50 (# 211:20 Single
Ambig)
&rst
ixpk= 211, nxpk= 20, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 348, 359,
&end
#
# 0 AMB 20-2:212 25 LYS HA 2.80 (# 212:20 Single
Ambig)
&rst
ixpk= 212, nxpk= 20, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 3.87, r4=
4.37,
igr1= 330, 331, 333, 334, 373, 374, 375,
&end
#
# 25 LYS HG+ 25 LYS HA 3.50 (# 213:20 Unique
2.57, 2.87 A)
&rst
ixpk= 213, nxpk= 20, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 333, 334,
&end
#
# 25 LYS HB+ 25 LYS HA 3.50 (# 214:20 Unique
2.43, 2.75 A)
&rst
ixpk= 214, nxpk= 20, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 330, 331,
&end
#
# 25 LYS HN 25 LYS HA 4.50 (# 215:20 Unique
2.87, 2.88 A)
&rst
ixpk= 215, nxpk= 20, iat= 326, 328, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 61 VAL HN 60 ILE HA 3.50 (# 216:20 Unique
2.29, 2.39 A)
&rst
ixpk= 216, nxpk= 20, iat= 878, 861, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 20-2:217 60 ILE HA 3.50 (# 217:20 Single
Ambig)
&rst
ixpk= 217, nxpk= 20, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1= 869, 870, 863,
&end
#
# 0 AMB 20-2:218 60 ILE HA 3.50 (# 218:20 Single
Ambig)
&rst
ixpk= 218, nxpk= 20, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1= 869, 870, 830, 831, 832, 834, 835, 836,
&end
#
# 0 AMB 20-2:219 60 ILE HA 2.80 (# 219:20 Single
Ambig)
&rst
ixpk= 219, nxpk= 20, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1= 865, 866, 867, 847,
&end
#
# 120 PHE HB- 120 PHE HA 4.50 (# 220:20 Unique
2.39, 2.71 A)
&rst
ixpk= 220, nxpk= 20, iat= -1,1788, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1790,1791,
&end
#
# 0 AMB 20-2:221 113 ILE HA 3.50 (# 221:20 Single
Ambig)
&rst
ixpk= 221, nxpk= 20, iat= -1,1684, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1701,1054,
&end
#
# 66 MET ME 113 ILE HA 4.50 (# 222:20 Unique
2.68, 3.82 A)
&rst
ixpk= 222, nxpk= 20, iat= -1,1684, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1= 953, 954, 955,
&end
#
# 113 ILE HG1- 113 ILE HA 4.50 (# 223:20 Unique
2.55, 2.71 A)
&rst
ixpk= 223, nxpk= 20, iat= -1,1684, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1692,1693,
&end
#
# 113 ILE QG2 113 ILE HA 2.80 (# 224:20 Unique
2.61, 3.24 A)
&rst
ixpk= 224, nxpk= 20, iat= -1,1684, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr1=1688,1689,1690,
&end
#
# 136 TYR HB- 133 GLU HA 4.50 (# 225:20 Unique
2.17, 3.00 A)
&rst
ixpk= 225, nxpk= 20, iat= -1,2005, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=2052,2053,
&end
#
# 0 AMB 20-2:226 133 GLU HA 3.50 (# 226:20 Single
Ambig)
&rst
ixpk= 226, nxpk= 20, iat= -1,2005, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1=2010,2011, 339, 340, 339, 340,
&end
#
# 121 TYR HN 121 TYR HA 3.50 (# 227:20 Unique
2.16, 2.22 A)
&rst
ixpk= 227, nxpk= 20, iat=1806,1808, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 121 TYR HB+ 121 TYR HA 3.50 (# 228:20 Unique
2.35, 2.71 A)
&rst
ixpk= 228, nxpk= 20, iat= -1,1808, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1810,1811,
&end
#
# 121 TYR HB- 121 TYR HA 3.50 (# 229:20 Unique
2.35, 2.71 A)
&rst
ixpk= 229, nxpk= 20, iat= -1,1808, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1810,1811,
&end
#
# 121 TYR HD 121 TYR HA 4.50 (# 230:20 Unique
2.54, 3.62 A)
&rst
ixpk= 230, nxpk= 20, iat= -1,1808, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1814,1823,
&end
#
# 0 AMB 20-2:231 0 AMB 20-1:231 3.50 (# 231:20 Double
Ambig)
&rst
ixpk= 231, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1533, 597,
igr2=1513, 584,
&end
#
# 105 ILE HB 102 LYS HA 3.50 (# 232:20 Unique
2.76, 3.14 A)
&rst
ixpk= 232, nxpk= 20, iat=1564,1513, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 20-2:233 0 AMB 20-1:233 2.80 (# 233:20 Double
Ambig)
&rst
ixpk= 233, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4=
5.44,
igr1=1607,1608,1609,1611,1612,1613,1607,1608,1609,1611,
1612,1613, 636, 637, 638,
igr2=1513, 584,
&end
#
# 0 AMB 20-2:234 24 GLU HA 2.80 (# 234:20 Single
Ambig)
&rst
ixpk= 234, nxpk= 20, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1= 315, 316, 315, 316,
&end
#
# 8 VAL HN 7 CYS HA 3.50 (# 235:20 Unique
2.19, 2.26 A)
&rst
ixpk= 235, nxpk= 20, iat= 112, 103, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 133 GLU HB- 133 GLU HA 2.80 (# 236:20 Unique
2.45, 2.77 A)
&rst
ixpk= 236, nxpk= 20, iat= -1,2005, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1=2007,2008,
&end
#
# 133 GLU HN 133 GLU HA 4.50 (# 237:20 Unique
2.82, 2.83 A)
&rst
ixpk= 237, nxpk= 20, iat=2003,2005, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 136 TYR HB+ 133 GLU HA 4.50 (# 238:20 Unique
2.17, 3.00 A)
&rst
ixpk= 238, nxpk= 20, iat= -1,2005, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=2052,2053,
&end
#
# 44 GLU HN 44 GLU HA 4.50 (# 239:20 Unique
2.82, 2.85 A)
&rst
ixpk= 239, nxpk= 20, iat= 582, 584, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 20-2:240 0 AMB 20-1:240 2.80 (# 240:20 Double
Ambig)
&rst
ixpk= 240, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1=1511, 711,
igr2=1513, 713,
&end
#
# 53 LEU HN 52 GLU HA 4.50 (# 241:20 Unique
3.47, 3.50 A)
&rst
ixpk= 241, nxpk= 20, iat= 726, 713, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 52 GLU HG- 52 GLU HA 4.50 (# 242:20 Unique
2.38, 3.20 A)
&rst
ixpk= 242, nxpk= 20, iat= -1, 713, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 718, 719,
&end
#
# 52 GLU HG+ 52 GLU HA 3.50 (# 243:20 Unique
2.38, 3.20 A)
&rst
ixpk= 243, nxpk= 20, iat= -1, 713, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 718, 719,
&end
#
# 0 AMB 20-2:244 0 AMB 20-1:244 2.80 (# 244:20 Double
Ambig)
&rst
ixpk= 244, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4=
4.74,
igr1= 586, 587, 715, 716, 715, 716,
igr2= 584, 713,
&end
#
# 0 AMB 20-2:245 0 AMB 20-1:245 2.80 (# 245:20 Double
Ambig)
&rst
ixpk= 245, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1= 633, 634,1499,
igr2= 584,1513,
&end
#
# 97 LEU HN 97 LEU HA 4.50 (# 246:20 Unique
2.83, 2.89 A)
&rst
ixpk= 246, nxpk= 20, iat=1425,1427, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 97 LEU HB- 97 LEU HA 3.50 (# 247:20 Unique
2.29, 2.69 A)
&rst
ixpk= 247, nxpk= 20, iat= -1,1427, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1429,1430,
&end
#
# 97 LEU HB+ 97 LEU HA 2.80 (# 248:20 Unique
2.29, 2.69 A)
&rst
ixpk= 248, nxpk= 20, iat= -1,1427, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1=1429,1430,
&end
#
# 149 ALA HN 148 PHE HA 2.80 (# 257:20 Unique
2.14, 2.26 A)
&rst
ixpk= 257, nxpk= 20, iat=2245,2227, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 85 PHE HB- 85 PHE HA 3.50 (# 258:20 Unique
2.70, 2.87 A)
&rst
ixpk= 258, nxpk= 20, iat= -1,1229, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1231,1232,
&end
#
# 0 AMB 20-2:259 85 PHE HA 3.50 (# 259:20 Single
Ambig)
&rst
ixpk= 259, nxpk= 20, iat= -1,1229, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1=1227,1247,1281,
&end
#
# 85 PHE HD 85 PHE HA 3.50 (# 260:20 Unique
2.97, 3.27 A)
&rst
ixpk= 260, nxpk= 20, iat= -1,1229, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1235,1243,
&end
#
# 85 PHE HB+ 85 PHE HA 4.50 (# 261:20 Unique
2.70, 2.87 A)
&rst
ixpk= 261, nxpk= 20, iat= -1,1229, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1231,1232,
&end
#
# 34 TRP HE1 139 LEU HA 4.50 (# 262:20 Unique
2.93, 3.11 A)
&rst
ixpk= 262, nxpk= 20, iat= 456,2112, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 139 LEU HN 139 LEU HA 2.80 (# 263:20 Unique
2.66, 2.72 A)
&rst
ixpk= 263, nxpk= 20, iat=2110,2112, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 142 TRP HB+ 139 LEU HA 4.50 (# 264:20 Unique
1.98, 2.80 A)
&rst
ixpk= 264, nxpk= 20, iat= -1,2112, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=2155,2156,
&end
#
# 139 LEU HB- 139 LEU HA 4.50 (# 265:20 Unique
2.13, 2.79 A)
&rst
ixpk= 265, nxpk= 20, iat= -1,2112, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=2114,2115,
&end
#
# 139 LEU MDX 139 LEU HA 4.50 (# 266:20 Unique
2.34, 3.43 A)
&rst
ixpk= 266, nxpk= 20, iat= -1,2112, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=2119,2120,2121,2123,2124,2125,
&end
#
# 139 LEU MDY 139 LEU HA 2.80 (# 267:20 Unique
2.34, 3.43 A)
&rst
ixpk= 267, nxpk= 20, iat= -1,2112, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1=2119,2120,2121,2123,2124,2125,
&end
#
# 73 ILE HN 72 GLU HA 2.80 (# 268:20 Unique
2.16, 2.21 A)
&rst
ixpk= 268, nxpk= 20, iat=1035,1022, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 0 AMB 20-2:269 0 AMB 20-1:269 3.50 (# 269:20 Double
Ambig)
&rst
ixpk= 269, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1020,1548,
igr2=1022,1535,
&end
#
# 0 AMB 20-2:270 0 AMB 20-1:270 2.80 (# 270:20 Double
Ambig)
&rst
ixpk= 270, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4=
5.49,
igr1=1537,1538,2351,2352,1199,1200,1024,1025,
igr2=1535,2349,1197,1022,
&end
#
# 124 MET HG- 15 ASP HA 3.50 (# 271:20 Unique
1.97, 2.80 A)
&rst
ixpk= 271, nxpk= 20, iat= -1, 203, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1869,1870,
&end
#
# 0 AMB 20-2:272 15 ASP HA 3.50 (# 272:20 Single
Ambig)
&rst
ixpk= 272, nxpk= 20, iat= -1, 203, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1869,1870, 205, 206,
&end
#
# 124 MET ME 15 ASP HA 4.50 (# 273:20 Unique
2.77, 4.09 A)
&rst
ixpk= 273, nxpk= 20, iat= -1, 203, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1=1873,1874,1875,
&end
#
# 128 ILE QG2 15 ASP HA 2.80 (# 274:20 Unique
2.29, 3.74 A)
&rst
ixpk= 274, nxpk= 20, iat= -1, 203, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr1=1930,1931,1932,
&end
#
# 148 PHE HD 148 PHE HA 3.50 (# 275:20 Unique
2.44, 3.39 A)
&rst
ixpk= 275, nxpk= 20, iat= -1,2227, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=2233,2241,
&end
#
# 148 PHE HB+ 148 PHE HA 3.50 (# 276:20 Unique
2.50, 2.79 A)
&rst
ixpk= 276, nxpk= 20, iat= -1,2227, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=2229,2230,
&end
#
# 41 SER HN 41 SER HA 4.50 (# 277:20 Unique
2.20, 2.87 A)
&rst
ixpk= 277, nxpk= 20, iat= 547, 549, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 20-2:278 41 SER HA 4.50 (# 278:20 Single
Ambig)
&rst
ixpk= 278, nxpk= 20, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 128, 558,
&end
#
# 41 SER HB+ 41 SER HA 2.80 (# 279:20 Unique
2.17, 2.47 A)
&rst
ixpk= 279, nxpk= 20, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1= 551, 552,
&end
#
# 0 AMB 20-2:280 41 SER HA 2.80 (# 280:20 Single
Ambig)
&rst
ixpk= 280, nxpk= 20, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1= 551, 552, 569, 570,
&end
#
# 99 ASP HN 99 ASP HA 2.80 (# 281:20 Unique
2.60, 2.73 A)
&rst
ixpk= 281, nxpk= 20, iat=1463,1465, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 0 AMB 20-2:282 99 ASP HA 3.50 (# 282:20 Single
Ambig)
&rst
ixpk= 282, nxpk= 20, iat= -1,1465, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1475,1492,1399,1400,
&end
#
# 0 AMB 20-2:283 99 ASP HA 4.50 (# 283:20 Single
Ambig)
&rst
ixpk= 283, nxpk= 20, iat= -1,1465, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1524,1525,1524,1525,
&end
#
# 99 ASP HB+ 99 ASP HA 3.50 (# 284:20 Unique
2.36, 2.73 A)
&rst
ixpk= 284, nxpk= 20, iat= -1,1465, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1467,1468,
&end
#
# 99 ASP HB- 99 ASP HA 2.80 (# 285:20 Unique
2.36, 2.73 A)
&rst
ixpk= 285, nxpk= 20, iat= -1,1465, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1=1467,1468,
&end
#
# 102 LYS HB+ 99 ASP HA 3.50 (# 286:20 Unique
2.19, 3.24 A)
&rst
ixpk= 286, nxpk= 20, iat= -1,1465, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1515,1516,
&end
#
# 0 AMB 20-2:287 0 AMB 20-1:287 3.50 (# 287:20 Double
Ambig)
&rst
ixpk= 287, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1=2114,2115,1515,1516,
igr2=2112,1465,
&end
#
# 0 AMB 20-2:288 99 ASP HA 2.80 (# 288:20 Single
Ambig)
&rst
ixpk= 288, nxpk= 20, iat= -1,1465, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1=1521,1522,1521,1522,
&end
#
# 98 ILE QG2 99 ASP HA 3.50 (# 289:20 Unique
2.87, 4.16 A)
&rst
ixpk= 289, nxpk= 20, iat= -1,1465, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1=1450,1451,1452,
&end
#
# 83 GLU HN 83 GLU HA 3.50 (# 290:20 Unique
2.93, 2.94 A)
&rst
ixpk= 290, nxpk= 20, iat=1195,1197, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 20-2:291 0 AMB 20-1:291 3.50 (# 291:20 Double
Ambig)
&rst
ixpk= 291, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1=1027,1028,1251,1252,
igr2=1022,1197,
&end
#
# 0 AMB 20-2:292 0 AMB 20-1:292 2.80 (# 292:20 Double
Ambig)
&rst
ixpk= 292, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4=
4.94,
igr1=1027,1028,2339,2340,2339,2340,2324,2325,
igr2=1022,2349,
&end
#
# 0 AMB 20-2:293 0 AMB 20-1:293 4.50 (# 293:20 Double
Ambig)
&rst
ixpk= 293, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1=1189,1190,1191,2024,2025,2026,
igr2=1197,1022,
&end
#
# 73 ILE QD1 72 GLU HA 4.50 (# 294:20 Unique
3.20, 4.56 A)
&rst
ixpk= 294, nxpk= 20, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1=1048,1049,1050,
&end
#
# 141 GLY HN 140 GLU HA 4.50 (# 295:20 Unique
2.63, 3.31 A)
&rst
ixpk= 295, nxpk= 20, iat=2144,2131, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 20-2:296 100 GLN HA 3.50 (# 296:20 Single
Ambig)
&rst
ixpk= 296, nxpk= 20, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1475,1492,
&end
#
# 0 AMB 20-2:297 100 GLN HA 2.80 (# 297:20 Single
Ambig)
&rst
ixpk= 297, nxpk= 20, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 3.96, r4=
4.46,
igr1=1482,1483,1479,1480,1479,1480,1537,1538,
&end
#
# 0 AMB 20-2:298 0 AMB 20-1:298 2.80 (# 298:20 Double
Ambig)
&rst
ixpk= 298, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4=
4.46,
igr1=2069, 326,2081,2082,
igr2=2071, 284,
&end
#
# 0 AMB 20-2:299 0 AMB 20-1:299 3.50 (# 299:20 Double
Ambig)
&rst
ixpk= 299, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 282,2086, 301,
igr2= 284,2071,
&end
#
# 137 GLN HG+ 137 GLN HA 3.50 (# 300:20 Unique
3.07, 3.78 A)
&rst
ixpk= 300, nxpk= 20, iat= -1,2071, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=2076,2077,
&end
#
# 0 AMB 20-2:301 22 LEU HA 2.80 (# 301:20 Single
Ambig)
&rst
ixpk= 301, nxpk= 20, iat= -1, 284, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1= 286, 287, 339, 340, 339, 340,
&end
#
# 0 AMB 20-2:302 137 GLN HA 2.80 (# 302:20 Single
Ambig)
&rst
ixpk= 302, nxpk= 20, iat= -1,2071, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1=2073,2074,2136,2137,
&end
#
# 137 GLN HB- 137 GLN HA 2.80 (# 303:20 Unique
2.33, 2.43 A)
&rst
ixpk= 303, nxpk= 20, iat= -1,2071, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1=2073,2074,
&end
#
# 0 AMB 20-2:304 22 LEU HA 2.80 (# 304:20 Single
Ambig)
&rst
ixpk= 304, nxpk= 20, iat= -1, 284, r1= 1.30, r2= 1.80, r3= 3.66, r4=
4.16,
igr1= 330, 331, 333, 334, 289,
&end
#
# 0 AMB 20-2:305 22 LEU HA 2.80 (# 305:20 Single
Ambig)
&rst
ixpk= 305, nxpk= 20, iat= -1, 284, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1= 286, 287, 336, 337,
&end
#
# 0 AMB 20-2:306 22 LEU HA 2.80 (# 306:20 Single
Ambig)
&rst
ixpk= 306, nxpk= 20, iat= -1, 284, r1= 1.30, r2= 1.80, r3= 4.24, r4=
4.74,
igr1=1993,1994,1995,1997,1998,1999, 291, 292, 293, 295,
296, 297,
&end
#
# 0 AMB 20-2:307 0 AMB 20-1:307 2.80 (# 307:20 Double
Ambig)
&rst
ixpk= 307, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4=
5.38,
igr1=1993,1994,1995,1997,1998,1999, 410, 411, 291, 292,
293, 295, 296, 297,
igr2= 284,2071,
&end
#
# 84 MET HN 84 MET HA 3.50 (# 308:20 Unique
2.82, 2.86 A)
&rst
ixpk= 308, nxpk= 20, iat=1210,1212, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 20-2:309 21 LEU HA 2.80 (# 309:20 Single
Ambig)
&rst
ixpk= 309, nxpk= 20, iat= -1, 265, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1= 315, 316, 315, 316,
&end
#
# 21 LEU HB+ 21 LEU HA 3.50 (# 310:20 Unique
2.39, 2.72 A)
&rst
ixpk= 310, nxpk= 20, iat= -1, 265, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 267, 268,
&end
#
# 0 AMB 20-2:311 21 LEU HA 2.80 (# 311:20 Single
Ambig)
&rst
ixpk= 311, nxpk= 20, iat= -1, 265, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr1= 267, 268, 270,
&end
#
# 21 LEU MDY 21 LEU HA 2.80 (# 312:20 Unique
2.30, 3.86 A)
&rst
ixpk= 312, nxpk= 20, iat= -1, 265, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1= 272, 273, 274, 276, 277, 278,
&end
#
# 35 VAL HN 34 TRP HA 2.80 (# 313:20 Unique
2.10, 2.18 A)
&rst
ixpk= 313, nxpk= 20, iat= 470, 448, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 0 AMB 20-2:314 0 AMB 20-1:314 4.50 (# 314:20 Double
Ambig)
&rst
ixpk= 314, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1412,1421, 446,
igr2=1373, 448,
&end
#
# 34 TRP HB+ 34 TRP HA 3.50 (# 315:20 Unique
2.30, 2.69 A)
&rst
ixpk= 315, nxpk= 20, iat= -1, 448, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 450, 451,
&end
#
# 130 ASP HN 130 ASP HA 3.50 (# 316:20 Unique
2.79, 2.81 A)
&rst
ixpk= 316, nxpk= 20, iat=1965,1967, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 20-2:317 130 ASP HA 4.50 (# 317:20 Single
Ambig)
&rst
ixpk= 317, nxpk= 20, iat= -1,1967, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=2003,1943,
&end
#
# 0 AMB 20-2:318 130 ASP HA 2.80 (# 318:20 Single
Ambig)
&rst
ixpk= 318, nxpk= 20, iat= -1,1967, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1=1969,1970,1969,1970,
&end
#
# 0 AMB 20-2:319 84 MET HA 3.50 (# 319:20 Single
Ambig)
&rst
ixpk= 319, nxpk= 20, iat= -1,1212, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1=1227,1247,1281,
&end
#
# 84 MET HG- 84 MET HA 3.50 (# 320:20 Unique
2.75, 3.28 A)
&rst
ixpk= 320, nxpk= 20, iat= -1,1212, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1217,1218,
&end
#
# 0 AMB 20-2:321 84 MET HA 2.80 (# 321:20 Single
Ambig)
&rst
ixpk= 321, nxpk= 20, iat= -1,1212, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1=1214,1215,1214,1215,
&end
#
# 34 TRP HB- 34 TRP HA 3.50 (# 322:20 Unique
2.30, 2.69 A)
&rst
ixpk= 322, nxpk= 20, iat= -1, 448, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 450, 451,
&end
#
# 0 AMB 20-2:323 0 AMB 20-1:323 2.80 (# 323:20 Double
Ambig)
&rst
ixpk= 323, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1=1378, 39, 40,
igr2=1373, 448,
&end
#
# 0 AMB 20-2:324 0 AMB 20-1:324 2.80 (# 324:20 Double
Ambig)
&rst
ixpk= 324, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4=
4.46,
igr1= 39, 40,1375,1376,
igr2= 448,1373,
&end
#
# 94 LEU MDY 94 LEU HA 2.80 (# 325:20 Unique
2.09, 3.75 A)
&rst
ixpk= 325, nxpk= 20, iat= -1,1373, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1=1380,1381,1382,1384,1385,1386,
&end
#
# 79 ASP HN 79 ASP HA 3.50 (# 326:20 Unique
2.88, 2.89 A)
&rst
ixpk= 326, nxpk= 20, iat=1142,1144, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 79 ASP HB+ 79 ASP HA 2.80 (# 327:20 Unique
2.47, 2.76 A)
&rst
ixpk= 327, nxpk= 20, iat= -1,1144, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1=1146,1147,
&end
#
# 0 AMB 20-2:328 86 MET HA 3.50 (# 328:20 Single
Ambig)
&rst
ixpk= 328, nxpk= 20, iat= -1,1249, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1264,1309,
&end
#
# 0 AMB 20-2:329 86 MET HA 3.50 (# 329:20 Single
Ambig)
&rst
ixpk= 329, nxpk= 20, iat= -1,1249, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1281,1247,
&end
#
# 86 MET HB- 86 MET HA 2.80 (# 330:20 Unique
2.26, 2.41 A)
&rst
ixpk= 330, nxpk= 20, iat= -1,1249, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1=1251,1252,
&end
#
# 86 MET HB+ 86 MET HA 2.80 (# 331:20 Unique
2.26, 2.41 A)
&rst
ixpk= 331, nxpk= 20, iat= -1,1249, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1=1251,1252,
&end
#
# 156 GLU HN 155 GLU HA 2.80 (# 332:20 Unique
2.34, 2.49 A)
&rst
ixpk= 332, nxpk= 20, iat=2347,2334, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 0 AMB 20-2:333 155 GLU HA 4.50 (# 333:20 Single
Ambig)
&rst
ixpk= 333, nxpk= 20, iat= -1,2334, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1=2339,2340,2339,2340,2324,2325,2324,2325,
&end
#
# 155 GLU HB+ 155 GLU HA 2.80 (# 334:20 Unique
2.40, 2.65 A)
&rst
ixpk= 334, nxpk= 20, iat= -1,2334, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1=2336,2337,
&end
#
# 155 GLU HB- 155 GLU HA 3.50 (# 335:20 Unique
2.40, 2.65 A)
&rst
ixpk= 335, nxpk= 20, iat= -1,2334, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=2336,2337,
&end
#
# 151 LEU HN 151 LEU HA 5.50 (# 336:20 Unique
2.77, 2.82 A)
&rst
ixpk= 336, nxpk= 20, iat=2272,2274, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 152 ALA HN 151 LEU HA 2.80 (# 337:20 Unique
2.11, 2.17 A)
&rst
ixpk= 337, nxpk= 20, iat=2291,2274, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 0 AMB 20-2:338 151 LEU HA 3.50 (# 338:20 Single
Ambig)
&rst
ixpk= 338, nxpk= 20, iat= -1,2274, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1=1061,1062,2279,
&end
#
# 151 LEU HB- 151 LEU HA 4.50 (# 339:20 Unique
2.47, 2.77 A)
&rst
ixpk= 339, nxpk= 20, iat= -1,2274, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=2276,2277,
&end
#
# 95 ASN HB+ 95 ASN HA 3.50 (# 340:20 Unique
2.27, 2.48 A)
&rst
ixpk= 340, nxpk= 20, iat= -1,1392, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1394,1395,
&end
#
# 95 ASN HB- 95 ASN HA 3.50 (# 341:20 Unique
2.27, 2.48 A)
&rst
ixpk= 341, nxpk= 20, iat= -1,1392, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1394,1395,
&end
#
# 0 AMB 20-2:342 95 ASN HA 3.50 (# 342:20 Single
Ambig)
&rst
ixpk= 342, nxpk= 20, iat= -1,1392, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1454,1455,1429,1430,
&end
#
# 0 AMB 20-2:343 95 ASN HA 3.50 (# 343:20 Single
Ambig)
&rst
ixpk= 343, nxpk= 20, iat= -1,1392, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1=1457,1458,1459,1172,1173,1174,
&end
#
# 0 AMB 20-2:344 0 AMB 20-1:344 2.80 (# 344:20 Double
Ambig)
&rst
ixpk= 344, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1=1448, 733,
igr2=1392, 728,
&end
#
# 18 ALA HN 18 ALA HA 4.50 (# 345:20 Unique
2.73, 2.81 A)
&rst
ixpk= 345, nxpk= 20, iat= 232, 234, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 21 LEU HB+ 18 ALA HA 4.50 (# 346:20 Unique
2.74, 3.45 A)
&rst
ixpk= 346, nxpk= 20, iat= -1, 234, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 267, 268,
&end
#
# 124 MET ME 18 ALA HA 2.80 (# 347:20 Unique
2.01, 2.83 A)
&rst
ixpk= 347, nxpk= 20, iat= -1, 234, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr1=1873,1874,1875,
&end
#
# 18 ALA MB 18 ALA HA 2.80 (# 348:20 Unique
2.42, 2.65 A)
&rst
ixpk= 348, nxpk= 20, iat= -1, 234, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr1= 236, 237, 238,
&end
#
# 132 VAL MGY 18 ALA HA 2.80 (# 349:20 Unique
2.15, 3.66 A)
&rst
ixpk= 349, nxpk= 20, iat= -1, 234, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1=1993,1994,1995,1997,1998,1999,
&end
#
# 108 VAL HN 107 GLU HA 2.80 (# 350:20 Unique
2.11, 2.16 A)
&rst
ixpk= 350, nxpk= 20, iat=1601,1588, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 90 HIS HB- 90 HIS HA 4.50 (# 351:20 Unique
2.40, 2.70 A)
&rst
ixpk= 351, nxpk= 20, iat= -1,1311, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1313,1314,
&end
#
# 101 LEU HN 101 LEU HA 4.50 (# 352:20 Unique
2.95, 2.98 A)
&rst
ixpk= 352, nxpk= 20, iat=1492,1494, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 20-2:353 101 LEU HA 2.80 (# 353:20 Single
Ambig)
&rst
ixpk= 353, nxpk= 20, iat= -1,1494, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr1=1496,1497,1499,
&end
#
# 101 LEU HB+ 101 LEU HA 4.50 (# 354:20 Unique
2.37, 2.75 A)
&rst
ixpk= 354, nxpk= 20, iat= -1,1494, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1496,1497,
&end
#
# 101 LEU MDY 101 LEU HA 2.80 (# 355:20 Unique
2.19, 3.88 A)
&rst
ixpk= 355, nxpk= 20, iat= -1,1494, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1=1501,1502,1503,1505,1506,1507,
&end
#
# 155 GLU HN 154 GLU HA 2.80 (# 356:20 Unique
2.22, 2.44 A)
&rst
ixpk= 356, nxpk= 20, iat=2332,2319, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 151 LEU MDY 151 LEU HA 3.50 (# 357:20 Unique
2.18, 3.80 A)
&rst
ixpk= 357, nxpk= 20, iat= -1,2274, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1=2281,2282,2283,2285,2286,2287,
&end
#
# 53 LEU HN 53 LEU HA 3.50 (# 358:20 Unique
2.87, 2.90 A)
&rst
ixpk= 358, nxpk= 20, iat= 726, 728, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 53 LEU HB+ 53 LEU HA 2.80 (# 359:20 Unique
2.48, 2.78 A)
&rst
ixpk= 359, nxpk= 20, iat= -1, 728, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1= 730, 731,
&end
#
# 53 LEU HB- 53 LEU HA 2.80 (# 360:20 Unique
2.48, 2.78 A)
&rst
ixpk= 360, nxpk= 20, iat= -1, 728, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1= 730, 731,
&end
#
# 53 LEU MDY 53 LEU HA 2.80 (# 361:20 Unique
2.11, 3.60 A)
&rst
ixpk= 361, nxpk= 20, iat= -1, 728, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1= 735, 736, 737, 739, 740, 741,
&end
#
# 54 ARG HN 54 ARG HA 2.80 (# 362:20 Unique
2.24, 2.27 A)
&rst
ixpk= 362, nxpk= 20, iat= 745, 747, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 55 PRO HD+ 54 ARG HA 3.50 (# 363:20 Unique
2.37, 2.65 A)
&rst
ixpk= 363, nxpk= 20, iat= -1, 747, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 770, 771,
&end
#
# 0 AMB 20-2:364 54 ARG HA 2.80 (# 364:20 Single
Ambig)
&rst
ixpk= 364, nxpk= 20, iat= -1, 747, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1= 749, 750, 773, 774,
&end
#
# 0 AMB 20-2:365 54 ARG HA 3.50 (# 365:20 Single
Ambig)
&rst
ixpk= 365, nxpk= 20, iat= -1, 747, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 752, 753, 752, 753,
&end
#
# 58 LEU HN 57 ARG HA 2.80 (# 366:20 Unique
2.09, 2.24 A)
&rst
ixpk= 366, nxpk= 20, iat= 821, 799, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 0 AMB 20-2:367 57 ARG HA 3.50 (# 367:20 Single
Ambig)
&rst
ixpk= 367, nxpk= 20, iat= -1, 799, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1590,1591,1593,1594,
&end
#
# 0 AMB 20-2:368 57 ARG HA 3.50 (# 368:20 Single
Ambig)
&rst
ixpk= 368, nxpk= 20, iat= -1, 799, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 801, 802,1590,1591, 825, 826,
&end
#
# 57 ARG HB- 57 ARG HA 4.50 (# 369:20 Unique
2.33, 2.73 A)
&rst
ixpk= 369, nxpk= 20, iat= -1, 799, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 801, 802,
&end
#
# 0 AMB 20-2:370 57 ARG HA 3.50 (# 370:20 Single
Ambig)
&rst
ixpk= 370, nxpk= 20, iat= -1, 799, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 804, 805, 804, 805,
&end
#
# 105 ILE QG2 57 ARG HA 4.50 (# 371:20 Unique
2.29, 2.58 A)
&rst
ixpk= 371, nxpk= 20, iat= -1, 799, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1=1566,1567,1568,
&end
#
# 107 GLU HN 57 ARG HA 4.50 (# 372:20 Unique
2.06, 2.15 A)
&rst
ixpk= 372, nxpk= 20, iat=1586, 799, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 124 MET HG- 124 MET HA 3.50 (# 373:20 Unique
2.44, 2.80 A)
&rst
ixpk= 373, nxpk= 20, iat= -1,1864, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1869,1870,
&end
#
# 124 MET HG+ 124 MET HA 4.50 (# 374:20 Unique
2.44, 2.80 A)
&rst
ixpk= 374, nxpk= 20, iat= -1,1864, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1869,1870,
&end
#
# 0 AMB 20-2:375 0 AMB 20-1:375 2.80 (# 375:20 Double
Ambig)
&rst
ixpk= 375, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4=
4.46,
igr1=2093,2094,1866,1867,
igr2=2088,1864,
&end
#
# 125 THR HN 124 MET HA 3.50 (# 376:20 Unique
2.19, 2.22 A)
&rst
ixpk= 376, nxpk= 20, iat=1879,1864, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 131 ALA HN 131 ALA HA 4.50 (# 377:20 Unique
2.82, 2.83 A)
&rst
ixpk= 377, nxpk= 20, iat=1977,1979, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 131 ALA MB 131 ALA HA 2.80 (# 378:20 Unique
2.36, 2.65 A)
&rst
ixpk= 378, nxpk= 20, iat= -1,1979, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr1=1981,1982,1983,
&end
#
# 73 ILE QD1 131 ALA HA 3.50 (# 379:20 Unique
2.07, 3.20 A)
&rst
ixpk= 379, nxpk= 20, iat= -1,1979, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1=1048,1049,1050,
&end
#
# 23 ALA HN 23 ALA HA 3.50 (# 380:20 Unique
2.79, 2.84 A)
&rst
ixpk= 380, nxpk= 20, iat= 301, 303, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 26 CYS HB+ 23 ALA HA 4.50 (# 381:20 Unique
2.30, 3.49 A)
&rst
ixpk= 381, nxpk= 20, iat= -1, 303, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 352, 353,
&end
#
# 23 ALA MB 23 ALA HA 2.80 (# 382:20 Unique
2.37, 2.68 A)
&rst
ixpk= 382, nxpk= 20, iat= -1, 303, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr1= 305, 306, 307,
&end
#
# 36 VAL MGX 23 ALA HA 2.80 (# 383:20 Unique
3.02, 4.57 A)
&rst
ixpk= 383, nxpk= 20, iat= -1, 303, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1= 492, 493, 494, 496, 497, 498,
&end
#
# 45 ASN HN 45 ASN HA 2.80 (# 384:20 Unique
2.80, 2.83 A)
&rst
ixpk= 384, nxpk= 20, iat= 597, 599, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 0 AMB 20-2:385 0 AMB 20-1:385 4.50 (# 385:20 Double
Ambig)
&rst
ixpk= 385, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 177, 623,
igr2= 162, 599,
&end
#
# 45 ASN HB+ 45 ASN HA 2.80 (# 386:20 Unique
2.23, 2.56 A)
&rst
ixpk= 386, nxpk= 20, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1= 601, 602,
&end
#
# 66 MET HN 65 ASP HA 3.50 (# 387:20 Unique
2.10, 2.16 A)
&rst
ixpk= 387, nxpk= 20, iat= 942, 932, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 138 ARG HN 138 ARG HA 4.50 (# 388:20 Unique
2.87, 2.91 A)
&rst
ixpk= 388, nxpk= 20, iat=2086,2088, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 138 ARG HD- 138 ARG HA 3.50 (# 389:20 Unique
2.08, 3.02 A)
&rst
ixpk= 389, nxpk= 20, iat= -1,2088, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=2096,2097,
&end
#
# 0 AMB 20-2:390 138 ARG HA 2.80 (# 390:20 Single
Ambig)
&rst
ixpk= 390, nxpk= 20, iat= -1,2088, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1=2090,2091,2090,2091,
&end
#
# 0 AMB 20-2:391 0 AMB 20-1:391 3.50 (# 391:20 Double
Ambig)
&rst
ixpk= 391, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1=2093,2094, 946, 947,
igr2=2088, 944,
&end
#
# 66 MET HG+ 66 MET HA 3.50 (# 392:20 Unique
2.32, 2.81 A)
&rst
ixpk= 392, nxpk= 20, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 949, 950,
&end
#
# 64 THR MG2 66 MET HA 4.50 (# 393:20 Unique
4.53, 5.70 A)
&rst
ixpk= 393, nxpk= 20, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1= 922, 923, 924,
&end
#
# 151 LEU MDX 66 MET HA 3.50 (# 394:20 Unique
3.09, 4.59 A)
&rst
ixpk= 394, nxpk= 20, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1=2281,2282,2283,2285,2286,2287,
&end
#
# 49 ALA HN 49 ALA HA 3.50 (# 395:20 Unique
2.83, 2.85 A)
&rst
ixpk= 395, nxpk= 20, iat= 658, 660, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 20-2:396 49 ALA HA 3.50 (# 396:20 Single
Ambig)
&rst
ixpk= 396, nxpk= 20, iat= -1, 660, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 715, 716, 715, 716,
&end
#
# 0 AMB 20-2:397 0 AMB 20-1:397 2.80 (# 397:20 Double
Ambig)
&rst
ixpk= 397, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4=
4.74,
igr1= 363, 364, 365, 662, 663, 664,
igr2= 361, 660,
&end
#
# 0 AMB 20-2:398 82 ALA HA 2.80 (# 398:20 Single
Ambig)
&rst
ixpk= 398, nxpk= 20, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1=1185,1227,
&end
#
# 81 ILE QG2 82 ALA HA 4.50 (# 399:20 Unique
3.09, 4.38 A)
&rst
ixpk= 399, nxpk= 20, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1=1172,1173,1174,
&end
#
# 29 ALA HN 28 ALA HA 4.50 (# 400:20 Unique
3.53, 3.55 A)
&rst
ixpk= 400, nxpk= 20, iat= 379, 371, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 28 ALA HN 28 ALA HA 3.50 (# 401:20 Unique
2.84, 2.86 A)
&rst
ixpk= 401, nxpk= 20, iat= 369, 371, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 28 ALA MB 28 ALA HA 2.80 (# 402:20 Unique
2.43, 2.66 A)
&rst
ixpk= 402, nxpk= 20, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr1= 373, 374, 375,
&end
#
# 28 ALA HN 27 ALA HA 4.50 (# 403:20 Unique
3.58, 3.59 A)
&rst
ixpk= 403, nxpk= 20, iat= 369, 361, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 20-2:406 91 ASN HA 3.50 (# 406:20 Single
Ambig)
&rst
ixpk= 406, nxpk= 20, iat= -1,1328, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1326,1340,
&end
#
# 91 ASN HB+ 91 ASN HA 3.50 (# 407:20 Unique
2.47, 2.82 A)
&rst
ixpk= 407, nxpk= 20, iat= -1,1328, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1330,1331,
&end
#
# 91 ASN HB- 91 ASN HA 3.50 (# 408:20 Unique
2.47, 2.82 A)
&rst
ixpk= 408, nxpk= 20, iat= -1,1328, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1330,1331,
&end
#
# 3 ASP HB- 3 ASP HA 3.50 (# 409:20 Unique
2.50, 2.84 A)
&rst
ixpk= 409, nxpk= 20, iat= -1, 37, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 39, 40,
&end
#
# 0 AMB 20-2:410 3 ASP HA 2.80 (# 410:20 Single
Ambig)
&rst
ixpk= 410, nxpk= 20, iat= -1, 37, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1= 47, 35,
&end
#
# 57 ARG HN 3 ASP HA 4.50 (# 411:20 Unique
2.58, 2.72 A)
&rst
ixpk= 411, nxpk= 20, iat= 797, 37, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 20-2:412 3 ASP HA 5.50 (# 412:20 Single
Ambig)
&rst
ixpk= 412, nxpk= 20, iat= -1, 37, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1= 51, 825, 826,
&end
#
# 3 ASP HB+ 3 ASP HA 3.50 (# 413:20 Unique
2.50, 2.84 A)
&rst
ixpk= 413, nxpk= 20, iat= -1, 37, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 39, 40,
&end
#
# 115 PRO HD+ 114 GLN HA 3.50 (# 415:20 Unique
2.03, 2.45 A)
&rst
ixpk= 415, nxpk= 20, iat= -1,1703, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1719,1720,
&end
#
# 115 PRO HD- 114 GLN HA 3.50 (# 416:20 Unique
2.03, 2.45 A)
&rst
ixpk= 416, nxpk= 20, iat= -1,1703, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1719,1720,
&end
#
# 0 AMB 20-2:417 114 GLN HA 3.50 (# 417:20 Single
Ambig)
&rst
ixpk= 417, nxpk= 20, iat= -1,1703, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1705,1706,1705,1706,
&end
#
# 66 MET ME 114 GLN HA 3.50 (# 418:20 Unique
2.16, 2.91 A)
&rst
ixpk= 418, nxpk= 20, iat= -1,1703, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1= 953, 954, 955,
&end
#
# 59 LEU HN 58 LEU HA 2.80 (# 419:20 Unique
2.14, 2.24 A)
&rst
ixpk= 419, nxpk= 20, iat= 840, 823, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 0 AMB 20-2:420 58 LEU HA 3.50 (# 420:20 Single
Ambig)
&rst
ixpk= 420, nxpk= 20, iat= -1, 823, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1= 825, 826, 51,
&end
#
# 58 LEU HB- 58 LEU HA 3.50 (# 421:20 Unique
2.36, 2.70 A)
&rst
ixpk= 421, nxpk= 20, iat= -1, 823, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 825, 826,
&end
#
# 0 AMB 20-2:422 58 LEU HA 2.80 (# 422:20 Single
Ambig)
&rst
ixpk= 422, nxpk= 20, iat= -1, 823, r1= 1.30, r2= 1.80, r3= 4.24, r4=
4.74,
igr1= 53, 54, 55, 57, 58, 59, 830, 831, 832, 834,
835, 836,
&end
#
# 6 LEU HN 5 LEU HA 2.80 (# 423:20 Unique
2.21, 2.26 A)
&rst
ixpk= 423, nxpk= 20, iat= 82, 65, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 5 LEU HB+ 5 LEU HA 4.50 (# 424:20 Unique
2.38, 2.72 A)
&rst
ixpk= 424, nxpk= 20, iat= -1, 65, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 67, 68,
&end
#
# 0 AMB 20-2:425 5 LEU HA 3.50 (# 425:20 Single
Ambig)
&rst
ixpk= 425, nxpk= 20, iat= -1, 65, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1= 844, 845, 70,
&end
#
# 0 AMB 20-2:426 5 LEU HA 2.80 (# 426:20 Single
Ambig)
&rst
ixpk= 426, nxpk= 20, iat= -1, 65, r1= 1.30, r2= 1.80, r3= 3.96, r4=
4.46,
igr1= 67, 68, 53, 54, 55, 57, 58, 59,
&end
#
# 0 AMB 20-2:427 5 LEU HA 4.50 (# 427:20 Single
Ambig)
&rst
ixpk= 427, nxpk= 20, iat= -1, 65, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1= 844, 845,2119,2120,2121,2123,2124,2125,
&end
#
# 5 LEU MDY 5 LEU HA 3.50 (# 428:20 Unique
2.30, 3.96 A)
&rst
ixpk= 428, nxpk= 20, iat= -1, 65, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 72, 73, 74, 76, 77, 78,
&end
#
# 59 LEU MDY 59 LEU HA 3.50 (# 429:20 Unique
2.32, 4.01 A)
&rst
ixpk= 429, nxpk= 20, iat= -1, 842, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 849, 850, 851, 853, 854, 855,
&end
#
# 37 ILE HN 6 LEU HA 4.50 (# 430:20 Unique
2.99, 3.19 A)
&rst
ixpk= 430, nxpk= 20, iat= 502, 84, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 20-2:431 0 AMB 20-1:431 2.80 (# 431:20 Double
Ambig)
&rst
ixpk= 431, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1= 859,2245,
igr2= 842,1056,
&end
#
# 75 ILE HN 74 ARG HA 3.50 (# 433:20 Unique
2.16, 2.24 A)
&rst
ixpk= 433, nxpk= 20, iat=1078,1056, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 14 GLY HN 13 MET HA 4.50 (# 434:20 Unique
2.56, 2.68 A)
&rst
ixpk= 434, nxpk= 20, iat= 194, 179, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 74 ARG HD- 74 ARG HA 4.50 (# 435:20 Unique
2.12, 2.65 A)
&rst
ixpk= 435, nxpk= 20, iat= -1,1056, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1064,1065,
&end
#
# 74 ARG HD+ 74 ARG HA 3.50 (# 436:20 Unique
2.12, 2.65 A)
&rst
ixpk= 436, nxpk= 20, iat= -1,1056, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1064,1065,
&end
#
# 13 MET HB+ 13 MET HA 3.50 (# 437:20 Unique
2.48, 2.79 A)
&rst
ixpk= 437, nxpk= 20, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 181, 182,
&end
#
# 0 AMB 20-2:438 0 AMB 20-1:438 2.80 (# 438:20 Double
Ambig)
&rst
ixpk= 438, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1=1621, 181, 182,
igr2= 842, 179,
&end
#
# 0 AMB 20-2:439 0 AMB 20-1:439 2.80 (# 439:20 Double
Ambig)
&rst
ixpk= 439, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4=
4.74,
igr1=1061,1062,1088,1089,1627,1628,
igr2=1056, 842,
&end
#
# 59 LEU HG 59 LEU HA 3.50 (# 440:20 Unique
2.38, 3.10 A)
&rst
ixpk= 440, nxpk= 20, iat= 847, 842, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 74 ARG HG+ 74 ARG HA 3.50 (# 441:20 Unique
2.92, 3.44 A)
&rst
ixpk= 441, nxpk= 20, iat= -1,1056, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1061,1062,
&end
#
# 7 CYS HN 6 LEU HA 2.80 (# 442:20 Unique
2.13, 2.16 A)
&rst
ixpk= 442, nxpk= 20, iat= 101, 84, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 6 LEU MDY 6 LEU HA 2.80 (# 443:20 Unique
2.22, 3.91 A)
&rst
ixpk= 443, nxpk= 20, iat= -1, 84, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1= 91, 92, 93, 95, 96, 97,
&end
#
# 145 ASN HB+ 145 ASN HA 3.50 (# 444:20 Unique
2.36, 2.80 A)
&rst
ixpk= 444, nxpk= 20, iat= -1,2199, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=2201,2202,
&end
#
# 145 ASN HB- 145 ASN HA 3.50 (# 445:20 Unique
2.36, 2.80 A)
&rst
ixpk= 445, nxpk= 20, iat= -1,2199, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=2201,2202,
&end
#
# 69 ASN HN 68 LEU HA 3.50 (# 446:20 Unique
3.47, 3.49 A)
&rst
ixpk= 446, nxpk= 20, iat= 985, 968, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 68 LEU HB+ 68 LEU HA 3.50 (# 447:20 Unique
2.43, 2.76 A)
&rst
ixpk= 447, nxpk= 20, iat= -1, 968, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 970, 971,
&end
#
# 0 AMB 20-2:449 68 LEU HA 2.80 (# 449:20 Single
Ambig)
&rst
ixpk= 449, nxpk= 20, iat= -1, 968, r1= 1.30, r2= 1.80, r3= 4.24, r4=
4.74,
igr1= 975, 976, 977, 979, 980, 981, 975, 976, 977, 979,
980, 981,
&end
#
# 39 GLY HN 38 ASP HA 2.80 (# 450:20 Unique
2.11, 2.18 A)
&rst
ixpk= 450, nxpk= 20, iat= 533, 523, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 0 AMB 20-2:451 38 ASP HA 3.50 (# 451:20 Single
Ambig)
&rst
ixpk= 451, nxpk= 20, iat= -1, 523, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 101, 521,
&end
#
# 64 THR HN 63 ALA HA 2.80 (# 452:20 Unique
2.26, 2.29 A)
&rst
ixpk= 452, nxpk= 20, iat= 916, 908, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 113 ILE HN 63 ALA HA 3.50 (# 453:20 Unique
2.10, 2.21 A)
&rst
ixpk= 453, nxpk= 20, iat=1682, 908, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 63 ALA MB 63 ALA HA 2.80 (# 454:20 Unique
2.42, 2.67 A)
&rst
ixpk= 454, nxpk= 20, iat= -1, 908, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr1= 910, 911, 912,
&end
#
# 113 ILE HB 63 ALA HA 3.50 (# 455:20 Unique
2.30, 2.37 A)
&rst
ixpk= 455, nxpk= 20, iat=1686, 908, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 33 ASN HB+ 33 ASN HA 2.80 (# 456:20 Unique
2.20, 2.72 A)
&rst
ixpk= 456, nxpk= 20, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1= 436, 437,
&end
#
# 38 ASP HB+ 38 ASP HA 3.50 (# 457:20 Unique
2.34, 2.69 A)
&rst
ixpk= 457, nxpk= 20, iat= -1, 523, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 525, 526,
&end
#
# 38 ASP HB- 38 ASP HA 3.50 (# 458:20 Unique
2.34, 2.69 A)
&rst
ixpk= 458, nxpk= 20, iat= -1, 523, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 525, 526,
&end
#
# 63 ALA HN 62 ASP HA 4.50 (# 459:20 Unique
2.52, 2.56 A)
&rst
ixpk= 459, nxpk= 20, iat= 906, 896, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 153 VAL HN 152 ALA HA 3.50 (# 460:20 Unique
2.31, 2.50 A)
&rst
ixpk= 460, nxpk= 20, iat=2301,2293, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 152 ALA MB 152 ALA HA 2.80 (# 461:20 Unique
2.47, 2.69 A)
&rst
ixpk= 461, nxpk= 20, iat= -1,2293, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr1=2295,2296,2297,
&end
#
# 149 ALA HN 149 ALA HA 4.50 (# 462:20 Unique
2.89, 2.94 A)
&rst
ixpk= 462, nxpk= 20, iat=2245,2247, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 150 GLN HN 149 ALA HA 2.80 (# 463:20 Unique
2.25, 2.31 A)
&rst
ixpk= 463, nxpk= 20, iat=2255,2247, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 150 GLN HB+ 149 ALA HA 4.50 (# 464:20 Unique
3.78, 4.50 A)
&rst
ixpk= 464, nxpk= 20, iat= -1,2247, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=2259,2260,
&end
#
# 149 ALA MB 149 ALA HA 2.80 (# 465:20 Unique
2.48, 2.70 A)
&rst
ixpk= 465, nxpk= 20, iat= -1,2247, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr1=2249,2250,2251,
&end
#
# 0 AMB 20-2:468 78 PRO HD- 3.50 (# 468:20 Single
Ambig)
&rst
ixpk= 468, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1=1132,1133,1135,1136,
igr2=1129,1130,
&end
#
# 78 PRO HG- 78 PRO HD- 3.50 (# 472:20 Unique
2.27, 2.61 A)
&rst
ixpk= 472, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1132,1133,
igr2=1129,1130,
&end
#
# 114 GLN HA 115 PRO HD+ 4.50 (# 473:20 Unique
2.03, 2.45 A)
&rst
ixpk= 473, nxpk= 20, iat=1703, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1719,1720,
&end
#
# 0 AMB 20-2:474 0 AMB 20-1:474 3.50 (# 474:20 Double
Ambig)
&rst
ixpk= 474, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4=
6.27,
igr1=1725,1726, 953, 954, 955,
igr2=1719,1720,1719,1720,
&end
#
# 78 PRO HG+ 78 PRO HD+ 2.80 (# 475:20 Unique
2.27, 2.61 A)
&rst
ixpk= 475, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1=1132,1133,
igr2=1129,1130,
&end
#
# 0 AMB 20-2:478 0 AMB 20-1:478 2.80 (# 478:20 Double
Ambig)
&rst
ixpk= 478, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4=
4.94,
igr1=1361,1362,1361,1362,
igr2=1358,1359,1358,1359,
&end
#
# 29 ALA HA 30 PRO HD+ 2.80 (# 479:20 Unique
2.12, 2.44 A)
&rst
ixpk= 479, nxpk= 20, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr2= 390, 391,
&end
#
# 30 PRO HG- 30 PRO HD+ 2.80 (# 481:20 Unique
2.32, 2.62 A)
&rst
ixpk= 481, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1= 393, 394,
igr2= 390, 391,
&end
#
# 29 ALA MB 30 PRO HD+ 3.50 (# 482:20 Unique
3.78, 4.74 A)
&rst
ixpk= 482, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 383, 384, 385,
igr2= 390, 391,
&end
#
# 0 AMB 20-2:483 0 AMB 20-1:483 4.50 (# 483:20 Double
Ambig)
&rst
ixpk= 483, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1= 916,1340,
igr2=1719,1720,1358,1359,
&end
#
# 114 GLN HA 115 PRO HD- 2.80 (# 484:20 Unique
2.03, 2.45 A)
&rst
ixpk= 484, nxpk= 20, iat=1703, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr2=1719,1720,
&end
#
# 86 MET HB- 93 PRO HD- 4.50 (# 486:20 Unique
3.72, 6.03 A)
&rst
ixpk= 486, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1251,1252,
igr2=1358,1359,
&end
#
# 0 AMB 20-2:487 93 PRO HD- 2.80 (# 487:20 Single
Ambig)
&rst
ixpk= 487, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4=
4.46,
igr1=1361,1362,1361,1362,
igr2=1358,1359,
&end
#
# 30 PRO HB+ 30 PRO HD- 4.50 (# 489:20 Unique
2.83, 3.70 A)
&rst
ixpk= 489, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 396, 397,
igr2= 390, 391,
&end
#
# 30 PRO HG+ 30 PRO HD- 2.80 (# 490:20 Unique
2.32, 2.62 A)
&rst
ixpk= 490, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1= 393, 394,
igr2= 390, 391,
&end
#
# 29 ALA MB 30 PRO HD- 4.50 (# 491:20 Unique
3.78, 4.74 A)
&rst
ixpk= 491, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1= 383, 384, 385,
igr2= 390, 391,
&end
#
# 42 ALA HN 42 ALA HA 4.50 (# 492:20 Unique
2.86, 2.94 A)
&rst
ixpk= 492, nxpk= 20, iat= 558, 560, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 43 PRO HD+ 42 ALA HA 2.80 (# 493:20 Unique
2.21, 2.72 A)
&rst
ixpk= 493, nxpk= 20, iat= -1, 560, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1= 569, 570,
&end
#
# 43 PRO HD- 42 ALA HA 3.50 (# 494:20 Unique
2.21, 2.72 A)
&rst
ixpk= 494, nxpk= 20, iat= -1, 560, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 569, 570,
&end
#
# 0 AMB 20-2:495 42 ALA HA 4.50 (# 495:20 Single
Ambig)
&rst
ixpk= 495, nxpk= 20, iat= -1, 560, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1= 572, 573, 572, 573, 575, 576, 575, 576,
&end
#
# 42 ALA MB 42 ALA HA 2.80 (# 496:20 Unique
2.41, 2.65 A)
&rst
ixpk= 496, nxpk= 20, iat= -1, 560, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr1= 562, 563, 564,
&end
#
# 54 ARG HN 55 PRO HD- 3.50 (# 497:20 Unique
2.14, 3.05 A)
&rst
ixpk= 497, nxpk= 20, iat= 745, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2= 770, 771,
&end
#
# 55 PRO HG- 55 PRO HD- 2.80 (# 499:20 Unique
2.27, 2.60 A)
&rst
ixpk= 499, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1= 773, 774,
igr2= 770, 771,
&end
#
# 0 AMB 20-2:500 55 PRO HD- 3.50 (# 500:20 Single
Ambig)
&rst
ixpk= 500, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4=
6.44,
igr1= 53, 54, 55, 57, 58, 59, 735, 736, 737, 739,
740, 741,
igr2= 770, 771,
&end
#
# 0 AMB 20-2:501 55 PRO HD- 3.50 (# 501:20 Single
Ambig)
&rst
ixpk= 501, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 674, 675, 676,1501,1502,1503,1505,1506,1507,
igr2= 770, 771,
&end
#
# 0 AMB 20-2:502 0 AMB 20-1:502 2.80 (# 502:20 Double
Ambig)
&rst
ixpk= 502, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4=
4.94,
igr1= 773, 774,1003,1004,
igr2= 770, 771,1000,1001,
&end
#
# 0 AMB 20-2:504 0 AMB 20-1:504 4.50 (# 504:20 Double
Ambig)
&rst
ixpk= 504, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4=
7.64,
igr1= 989, 990, 989, 990,
igr2=1000,1001,1000,1001,
&end
#
# 70 PRO HG- 70 PRO HD+ 2.80 (# 505:20 Unique
2.34, 2.63 A)
&rst
ixpk= 505, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1=1003,1004,
igr2=1000,1001,
&end
#
# 70 PRO HG+ 70 PRO HD+ 2.80 (# 506:20 Unique
2.34, 2.63 A)
&rst
ixpk= 506, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1=1003,1004,
igr2=1000,1001,
&end
#
# 0 AMB 20-2:507 0 AMB 20-1:507 4.50 (# 507:20 Double
Ambig)
&rst
ixpk= 507, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1=1883,1920,
igr2=1911,1912,1911,1912,
&end
#
# 126 GLN HB- 127 PRO HD+ 2.80 (# 509:20 Unique
2.14, 3.37 A)
&rst
ixpk= 509, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1=1897,1898,
igr2=1911,1912,
&end
#
# 0 AMB 20-2:510 127 PRO HD- 3.50 (# 510:20 Single
Ambig)
&rst
ixpk= 510, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1883,1920,
igr2=1911,1912,
&end
#
# 127 PRO HG+ 127 PRO HD- 2.80 (# 511:20 Unique
2.30, 2.59 A)
&rst
ixpk= 511, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1=1914,1915,
igr2=1911,1912,
&end
#
# 0 AMB 20-2:513 70 PRO HD- 3.50 (# 513:20 Single
Ambig)
&rst
ixpk= 513, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1= 989, 990, 989, 990,
igr2=1000,1001,
&end
#
# 70 PRO HB- 70 PRO HD- 4.50 (# 514:20 Unique
2.73, 3.69 A)
&rst
ixpk= 514, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1006,1007,
igr2=1000,1001,
&end
#
# 54 ARG HN 55 PRO HD+ 3.50 (# 515:20 Unique
2.14, 3.05 A)
&rst
ixpk= 515, nxpk= 20, iat= 745, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2= 770, 771,
&end
#
# 53 LEU HB+ 55 PRO HD+ 3.50 (# 517:20 Unique
2.26, 4.13 A)
&rst
ixpk= 517, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 730, 731,
igr2= 770, 771,
&end
#
# 55 PRO HG+ 55 PRO HD+ 3.50 (# 518:20 Unique
2.27, 2.60 A)
&rst
ixpk= 518, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 773, 774,
igr2= 770, 771,
&end
#
# 55 PRO HG- 55 PRO HD+ 4.50 (# 519:20 Unique
2.27, 2.60 A)
&rst
ixpk= 519, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 773, 774,
igr2= 770, 771,
&end
#
# 0 AMB 20-2:520 0 AMB 20-1:520 3.50 (# 520:20 Double
Ambig)
&rst
ixpk= 520, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4=
6.74,
igr1=1570,1571, 53, 54, 55, 57, 58, 59,
igr2= 770, 771, 770, 771,
&end
#
# 105 ILE QD1 55 PRO HD+ 3.50 (# 521:20 Unique
2.47, 4.26 A)
&rst
ixpk= 521, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1=1573,1574,1575,
igr2= 770, 771,
&end
#
# 42 ALA HA 43 PRO HD+ 2.80 (# 523:20 Unique
2.21, 2.72 A)
&rst
ixpk= 523, nxpk= 20, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr2= 569, 570,
&end
#
# 0 AMB 20-2:524 0 AMB 20-1:524 2.80 (# 524:20 Double
Ambig)
&rst
ixpk= 524, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4=
6.10,
igr1= 572, 573, 572, 573, 575, 576, 575, 576,
igr2= 569, 570, 569, 570, 569, 570, 569, 570,
&end
#
# 42 ALA MB 43 PRO HD+ 4.50 (# 525:20 Unique
4.33, 4.88 A)
&rst
ixpk= 525, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1= 562, 563, 564,
igr2= 569, 570,
&end
#
# 122 TYR HA 123 PRO HD- 3.50 (# 526:20 Unique
2.23, 2.44 A)
&rst
ixpk= 526, nxpk= 20, iat=1829, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1849,1850,
&end
#
# 123 PRO HG+ 123 PRO HD- 2.80 (# 528:20 Unique
2.30, 2.60 A)
&rst
ixpk= 528, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1=1852,1853,
igr2=1849,1850,
&end
#
# 42 ALA HA 43 PRO HD- 3.50 (# 531:20 Unique
2.21, 2.72 A)
&rst
ixpk= 531, nxpk= 20, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2= 569, 570,
&end
#
# 0 AMB 20-2:532 43 PRO HD- 2.80 (# 532:20 Single
Ambig)
&rst
ixpk= 532, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4=
4.94,
igr1= 572, 573, 572, 573, 575, 576, 575, 576,
igr2= 569, 570,
&end
#
# 15 ASP HN 14 GLY HA+ 4.50 (# 536:20 Unique
2.13, 2.71 A)
&rst
ixpk= 536, nxpk= 20, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 196, 197,
&end
#
# 14 GLY HN 14 GLY HA+ 2.80 (# 537:20 Unique
2.27, 2.58 A)
&rst
ixpk= 537, nxpk= 20, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr2= 196, 197,
&end
#
# 0 AMB 20-2:538 0 AMB 20-1:538 3.50 (# 538:20 Double
Ambig)
&rst
ixpk= 538, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1= 201,2161,
igr2= 196, 197,2192,2193,
&end
#
# 106 GLY HN 106 GLY HA+ 2.80 (# 541:20 Unique
2.26, 2.57 A)
&rst
ixpk= 541, nxpk= 20, iat=1579, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr2=1581,1582,
&end
#
# 107 GLU HN 106 GLY HA+ 3.50 (# 542:20 Unique
2.78, 3.27 A)
&rst
ixpk= 542, nxpk= 20, iat=1586, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1581,1582,
&end
#
# 0 AMB 20-2:543 0 AMB 20-1:543 4.50 (# 543:20 Double
Ambig)
&rst
ixpk= 543, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4=
7.78,
igr1=1765,1858, 785,
igr2= 196, 197, 196, 197,1581,1582,
&end
#
# 0 AMB 20-2:544 0 AMB 20-1:544 4.50 (# 544:20 Double
Ambig)
&rst
ixpk= 544, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1=1562, 787,
igr2=1581,1582,1581,1582,
&end
#
# 144 GLY HN 144 GLY HA+ 5.50 (# 546:20 Unique
2.25, 2.62 A)
&rst
ixpk= 546, nxpk= 20, iat=2190, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2192,2193,
&end
#
# 106 GLY HN 106 GLY HA- 2.80 (# 547:20 Unique
2.26, 2.57 A)
&rst
ixpk= 547, nxpk= 20, iat=1579, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr2=1581,1582,
&end
#
# 107 GLU HN 106 GLY HA- 4.50 (# 548:20 Unique
2.78, 3.27 A)
&rst
ixpk= 548, nxpk= 20, iat=1586, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1581,1582,
&end
#
# 144 GLY HN 144 GLY HA- 5.50 (# 549:20 Unique
2.25, 2.62 A)
&rst
ixpk= 549, nxpk= 20, iat=2190, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2192,2193,
&end
#
# 19 GLY HN 19 GLY HA- 4.50 (# 550:20 Unique
2.29, 2.57 A)
&rst
ixpk= 550, nxpk= 20, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 244, 245,
&end
#
# 0 AMB 20-2:553 0 AMB 20-1:553 2.80 (# 553:20 Double
Ambig)
&rst
ixpk= 553, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4=
4.46,
igr1= 547, 540,
igr2= 542, 543, 542, 543,
&end
#
# 0 AMB 20-2:554 40 GLY HA- 2.80 (# 554:20 Single
Ambig)
&rst
ixpk= 554, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1= 547, 540,
igr2= 542, 543,
&end
#
# 58 LEU HG 58 LEU HB+ 4.50 (# 556:20 Unique
2.44, 2.77 A)
&rst
ixpk= 556, nxpk= 20, iat= 828, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 825, 826,
&end
#
# 0 AMB 20-2:558 0 AMB 20-1:558 2.80 (# 558:20 Double
Ambig)
&rst
ixpk= 558, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4=
5.59,
igr1=1607,1608,1609,1611,1612,1613, 674, 675, 676,
igr2= 825, 826, 825, 826,
&end
#
# 0 AMB 20-2:561 58 LEU HB- 2.80 (# 561:20 Single
Ambig)
&rst
ixpk= 561, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4=
5.03,
igr1=1607,1608,1609,1611,1612,1613, 674, 675, 676,
igr2= 825, 826,
&end
#
# 32 GLY HN 0 AMB 20-1:562 2.80 (# 562:20 Single
Ambig)
&rst
ixpk= 562, nxpk= 20, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr2= 427, 428, 427, 428,
&end
#
# 34 TRP HD1 0 AMB 20-1:563 4.50 (# 563:20 Single
Ambig)
&rst
ixpk= 563, nxpk= 20, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr2= 427, 428, 427, 428,
&end
#
# 67 GLY HN 67 GLY HA- 3.50 (# 564:20 Unique
2.25, 2.52 A)
&rst
ixpk= 564, nxpk= 20, iat= 959, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2= 961, 962,
&end
#
# 67 GLY HN 67 GLY HA+ 3.50 (# 565:20 Unique
2.25, 2.52 A)
&rst
ixpk= 565, nxpk= 20, iat= 959, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2= 961, 962,
&end
#
# 39 GLY HN 39 GLY HA- 4.50 (# 566:20 Unique
2.27, 2.64 A)
&rst
ixpk= 566, nxpk= 20, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 535, 536,
&end
#
# 43 PRO HA 39 GLY HA- 3.50 (# 567:20 Unique
2.11, 2.72 A)
&rst
ixpk= 567, nxpk= 20, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2= 535, 536,
&end
#
# 6 LEU MDY 39 GLY HA- 4.50 (# 569:20 Unique
2.21, 4.69 A)
&rst
ixpk= 569, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1= 91, 92, 93, 95, 96, 97,
igr2= 535, 536,
&end
#
# 6 LEU MDX 39 GLY HA- 4.50 (# 571:20 Unique
2.21, 4.69 A)
&rst
ixpk= 571, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1= 91, 92, 93, 95, 96, 97,
igr2= 535, 536,
&end
#
# 39 GLY HN 39 GLY HA+ 4.50 (# 572:20 Unique
2.27, 2.64 A)
&rst
ixpk= 572, nxpk= 20, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 535, 536,
&end
#
# 6 LEU MDY 39 GLY HA+ 3.50 (# 574:20 Unique
2.21, 4.69 A)
&rst
ixpk= 574, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1= 91, 92, 93, 95, 96, 97,
igr2= 535, 536,
&end
#
# 124 MET ME 0 AMB 20-1:575 4.50 (# 575:20 Single
Ambig)
&rst
ixpk= 575, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1=1873,1874,1875,
igr2= 227, 228, 227, 228,
&end
#
# 17 GLY HN 0 AMB 20-1:576 2.80 (# 576:20 Single
Ambig)
&rst
ixpk= 576, nxpk= 20, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr2= 227, 228, 227, 228,
&end
#
# 11 SER HA 0 AMB 20-1:577 2.80 (# 577:20 Single
Ambig)
&rst
ixpk= 577, nxpk= 20, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr2= 227, 228, 227, 228,
&end
#
# 107 GLU HB- 57 ARG HD+ 3.50 (# 578:20 Unique
2.05, 3.42 A)
&rst
ixpk= 578, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1590,1591,
igr2= 807, 808,
&end
#
# 111 LEU HN 111 LEU HB+ 3.50 (# 579:20 Unique
2.42, 2.78 A)
&rst
ixpk= 579, nxpk= 20, iat=1656, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1660,1661,
&end
#
# 111 LEU HA 111 LEU HB+ 3.50 (# 580:20 Unique
2.35, 2.70 A)
&rst
ixpk= 580, nxpk= 20, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1660,1661,
&end
#
# 0 AMB 20-2:583 0 AMB 20-1:583 2.80 (# 583:20 Double
Ambig)
&rst
ixpk= 583, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4=
6.61,
igr1= 884, 885, 886, 888, 889, 890,1665,1666,1667,1669,
1670,1671,1665,1666,1667,1669,1670,1671,
igr2=1660,1661,1660,1661,1660,1661,
&end
#
# 59 LEU MDY 59 LEU HB+ 4.50 (# 585:20 Unique
2.38, 3.35 A)
&rst
ixpk= 585, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1= 849, 850, 851, 853, 854, 855,
igr2= 844, 845,
&end
#
# 59 LEU MDX 59 LEU HB+ 3.50 (# 587:20 Unique
2.38, 3.35 A)
&rst
ixpk= 587, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1= 849, 850, 851, 853, 854, 855,
igr2= 844, 845,
&end
#
# 111 LEU HN 111 LEU HB- 4.50 (# 588:20 Unique
2.42, 2.78 A)
&rst
ixpk= 588, nxpk= 20, iat=1656, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1660,1661,
&end
#
# 59 LEU MDY 111 LEU HB- 4.50 (# 590:20 Unique
2.50, 4.50 A)
&rst
ixpk= 590, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1= 849, 850, 851, 853, 854, 855,
igr2=1660,1661,
&end
#
# 111 LEU HA 111 LEU HB- 3.50 (# 591:20 Unique
2.35, 2.70 A)
&rst
ixpk= 591, nxpk= 20, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1660,1661,
&end
#
# 0 AMB 20-2:593 111 LEU HB- 2.80 (# 593:20 Single
Ambig)
&rst
ixpk= 593, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4=
5.26,
igr1= 884, 885, 886, 888, 889, 890,1665,1666,1667,1669,
1670,1671,
igr2=1660,1661,
&end
#
# 59 LEU MDY 59 LEU HB- 3.50 (# 596:20 Unique
2.38, 3.35 A)
&rst
ixpk= 596, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1= 849, 850, 851, 853, 854, 855,
igr2= 844, 845,
&end
#
# 59 LEU MDX 59 LEU HB- 3.50 (# 597:20 Unique
2.38, 3.35 A)
&rst
ixpk= 597, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1= 849, 850, 851, 853, 854, 855,
igr2= 844, 845,
&end
#
# 71 GLY HN 71 GLY HA+ 4.50 (# 600:20 Unique
2.28, 2.60 A)
&rst
ixpk= 600, nxpk= 20, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1015,1016,
&end
#
# 10 ASN HB+ 9 GLY HA- 4.50 (# 601:20 Unique
4.23, 4.95 A)
&rst
ixpk= 601, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 139, 140,
igr2= 130, 131,
&end
#
# 0 AMB 20-2:602 0 AMB 20-1:602 4.50 (# 602:20 Double
Ambig)
&rst
ixpk= 602, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1981,1982,1983,1934,1935,
igr2=1015,1016,1015,1016,
&end
#
# 128 ILE QD1 71 GLY HA+ 4.50 (# 603:20 Unique
3.09, 4.25 A)
&rst
ixpk= 603, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1937,1938,1939,
igr2=1015,1016,
&end
#
# 10 ASN HN 9 GLY HA- 4.50 (# 604:20 Unique
2.24, 2.58 A)
&rst
ixpk= 604, nxpk= 20, iat= 135, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 130, 131,
&end
#
# 120 PHE HN 119 GLY HA+ 3.50 (# 606:20 Unique
2.33, 2.69 A)
&rst
ixpk= 606, nxpk= 20, iat=1786, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1781,1782,
&end
#
# 119 GLY HN 119 GLY HA+ 4.50 (# 607:20 Unique
2.73, 2.82 A)
&rst
ixpk= 607, nxpk= 20, iat=1779, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1781,1782,
&end
#
# 147 GLY HN 147 GLY HA+ 4.50 (# 609:20 Unique
2.27, 2.60 A)
&rst
ixpk= 609, nxpk= 20, iat=2218, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=2220,2221,
&end
#
# 147 GLY HN 147 GLY HA- 3.50 (# 611:20 Unique
2.27, 2.60 A)
&rst
ixpk= 611, nxpk= 20, iat=2218, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=2220,2221,
&end
#
# 120 PHE HN 119 GLY HA- 3.50 (# 614:20 Unique
2.33, 2.69 A)
&rst
ixpk= 614, nxpk= 20, iat=1786, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1781,1782,
&end
#
# 0 AMB 20-2:615 0 AMB 20-1:615 3.50 (# 615:20 Double
Ambig)
&rst
ixpk= 615, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4=
6.06,
igr1= 804, 805, 804, 805,
igr2= 807, 808, 807, 808,
&end
#
# 0 AMB 20-2:616 57 ARG HD- 3.50 (# 616:20 Single
Ambig)
&rst
ixpk= 616, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1= 804, 805, 804, 805,
igr2= 807, 808,
&end
#
# 71 GLY HN 71 GLY HA- 4.50 (# 617:20 Unique
2.28, 2.60 A)
&rst
ixpk= 617, nxpk= 20, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1015,1016,
&end
#
# 0 AMB 20-2:620 71 GLY HA- 4.50 (# 620:20 Single
Ambig)
&rst
ixpk= 620, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1981,1982,1983,1934,1935,
igr2=1015,1016,
&end
#
# 128 ILE QD1 71 GLY HA- 4.50 (# 621:20 Unique
3.09, 4.25 A)
&rst
ixpk= 621, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1937,1938,1939,
igr2=1015,1016,
&end
#
# 146 GLY HN 146 GLY HA+ 3.50 (# 622:20 Unique
2.23, 2.57 A)
&rst
ixpk= 622, nxpk= 20, iat=2211, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=2213,2214,
&end
#
# 146 GLY HN 146 GLY HA- 3.50 (# 625:20 Unique
2.23, 2.57 A)
&rst
ixpk= 625, nxpk= 20, iat=2211, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=2213,2214,
&end
#
# 5 LEU MDX 5 LEU HB+ 3.50 (# 629:20 Unique
2.34, 3.35 A)
&rst
ixpk= 629, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1= 72, 73, 74, 76, 77, 78,
igr2= 67, 68,
&end
#
# 36 VAL HA 5 LEU HB+ 4.50 (# 630:20 Unique
2.16, 3.24 A)
&rst
ixpk= 630, nxpk= 20, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 67, 68,
&end
#
# 5 LEU MDX 5 LEU HB- 4.50 (# 632:20 Unique
2.34, 3.35 A)
&rst
ixpk= 632, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1= 72, 73, 74, 76, 77, 78,
igr2= 67, 68,
&end
#
# 5 LEU MDY 5 LEU HB- 5.50 (# 633:20 Unique
2.34, 3.35 A)
&rst
ixpk= 633, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 72, 73, 74, 76, 77, 78,
igr2= 67, 68,
&end
#
# 0 AMB 20-2:634 0 AMB 20-1:634 3.50 (# 634:20 Double
Ambig)
&rst
ixpk= 634, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4=
7.17,
igr1= 830, 831, 832, 834, 835, 836, 91, 92, 93, 95,
96, 97,
igr2= 86, 87, 86, 87,
&end
#
# 0 AMB 20-2:635 0 AMB 20-1:635 3.50 (# 635:20 Double
Ambig)
&rst
ixpk= 635, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4=
7.54,
igr1= 681, 682, 683, 678, 679, 118, 119, 120, 122, 123,
124,
igr2= 86, 87, 86, 87, 86, 87,
&end
#
# 0 AMB 20-2:639 6 LEU HB- 3.50 (# 639:20 Single
Ambig)
&rst
ixpk= 639, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4=
5.93,
igr1= 869, 870, 681, 682, 683, 678, 679,
igr2= 86, 87,
&end
#
# 5 LEU HA 5 LEU HB- 3.50 (# 641:20 Unique
2.38, 2.72 A)
&rst
ixpk= 641, nxpk= 20, iat= 65, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2= 67, 68,
&end
#
# 113 ILE HN 112 GLY HA+ 3.50 (# 642:20 Unique
2.27, 2.64 A)
&rst
ixpk= 642, nxpk= 20, iat=1682, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1677,1678,
&end
#
# 112 GLY HN 112 GLY HA- 4.50 (# 645:20 Unique
2.37, 2.68 A)
&rst
ixpk= 645, nxpk= 20, iat=1675, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1677,1678,
&end
#
# 76 ILE QD1 112 GLY HA- 4.50 (# 646:20 Unique
2.18, 3.75 A)
&rst
ixpk= 646, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1110,1111,1112,
igr2=1677,1678,
&end
#
# 113 ILE HN 112 GLY HA- 3.50 (# 647:20 Unique
2.27, 2.64 A)
&rst
ixpk= 647, nxpk= 20, iat=1682, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1677,1678,
&end
#
# 51 ARG HE 51 ARG HD+ 5.50 (# 649:20 Unique
2.35, 2.81 A)
&rst
ixpk= 649, nxpk= 20, iat= 700, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 697, 698,
&end
#
# 0 AMB 20-2:651 0 AMB 20-1:651 2.80 (# 651:20 Double
Ambig)
&rst
ixpk= 651, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4=
4.94,
igr1= 691, 692, 691, 692,
igr2= 697, 698, 697, 698,
&end
#
# 51 ARG HG+ 51 ARG HD+ 2.80 (# 652:20 Unique
2.27, 2.76 A)
&rst
ixpk= 652, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1= 694, 695,
igr2= 697, 698,
&end
#
# 51 ARG HG- 51 ARG HD+ 2.80 (# 653:20 Unique
2.27, 2.76 A)
&rst
ixpk= 653, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1= 694, 695,
igr2= 697, 698,
&end
#
# 0 AMB 20-2:654 0 AMB 20-1:654 4.50 (# 654:20 Double
Ambig)
&rst
ixpk= 654, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4=
8.68,
igr1= 629, 630, 631,1501,1502,1503,1505,1506,1507,
igr2= 697, 698, 697, 698,
&end
#
# 0 AMB 20-2:655 51 ARG HD- 2.80 (# 655:20 Single
Ambig)
&rst
ixpk= 655, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4=
4.46,
igr1= 691, 692, 691, 692,
igr2= 697, 698,
&end
#
# 51 ARG HG- 51 ARG HD- 2.80 (# 656:20 Unique
2.27, 2.76 A)
&rst
ixpk= 656, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1= 694, 695,
igr2= 697, 698,
&end
#
# 51 ARG HG+ 51 ARG HD- 3.50 (# 657:20 Unique
2.27, 2.76 A)
&rst
ixpk= 657, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 694, 695,
igr2= 697, 698,
&end
#
# 0 AMB 20-2:658 51 ARG HD- 4.50 (# 658:20 Single
Ambig)
&rst
ixpk= 658, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4=
7.78,
igr1= 629, 630, 631,1501,1502,1503,1505,1506,1507,
igr2= 697, 698,
&end
#
# 0 AMB 20-2:659 0 AMB 20-1:659 3.50 (# 659:20 Double
Ambig)
&rst
ixpk= 659, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4=
6.06,
igr1=1024,1025,1708,1709,
igr2= 970, 971, 970, 971,
&end
#
# 0 AMB 20-2:660 0 AMB 20-1:660 2.80 (# 660:20 Double
Ambig)
&rst
ixpk= 660, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4=
5.84,
igr1= 975, 976, 977, 979, 980, 981, 975, 976, 977, 979,
980, 981,
igr2= 970, 971, 970, 971,
&end
#
# 69 ASN HN 68 LEU HB+ 4.50 (# 661:20 Unique
1.83, 2.19 A)
&rst
ixpk= 661, nxpk= 20, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 970, 971,
&end
#
# 68 LEU HA 68 LEU HB+ 4.50 (# 662:20 Unique
2.43, 2.76 A)
&rst
ixpk= 662, nxpk= 20, iat= 968, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 970, 971,
&end
#
# 69 ASN HN 68 LEU HB- 4.50 (# 663:20 Unique
1.83, 2.19 A)
&rst
ixpk= 663, nxpk= 20, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 970, 971,
&end
#
# 0 AMB 20-2:664 68 LEU HB- 3.50 (# 664:20 Single
Ambig)
&rst
ixpk= 664, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1=1024,1025,1708,1709,
igr2= 970, 971,
&end
#
# 0 AMB 20-2:666 68 LEU HB- 2.80 (# 666:20 Single
Ambig)
&rst
ixpk= 666, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4=
5.26,
igr1= 975, 976, 977, 979, 980, 981, 975, 976, 977, 979,
980, 981,
igr2= 970, 971,
&end
#
# 74 ARG HA 74 ARG HD- 4.50 (# 667:20 Unique
2.12, 2.65 A)
&rst
ixpk= 667, nxpk= 20, iat=1056, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1064,1065,
&end
#
# 0 AMB 20-2:669 74 ARG HD- 3.50 (# 669:20 Single
Ambig)
&rst
ixpk= 669, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4=
5.64,
igr1=2249,2250,2251,1061,1062,
igr2=1064,1065,
&end
#
# 117 ILE HN 116 ASP HB+ 4.50 (# 670:20 Unique
2.53, 3.45 A)
&rst
ixpk= 670, nxpk= 20, iat=1744, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1736,1737,
&end
#
# 0 AMB 20-2:671 0 AMB 20-1:671 3.50 (# 671:20 Double
Ambig)
&rst
ixpk= 671, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 747,1000,1001,
igr2= 755, 756, 755, 756,1736,1737,
&end
#
# 0 AMB 20-2:673 0 AMB 20-1:673 2.80 (# 673:20 Double
Ambig)
&rst
ixpk= 673, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4=
5.84,
igr1=1003,1004, 749, 750, 691, 692,
igr2=1736,1737, 755, 756, 755, 756, 755, 756,
&end
#
# 0 AMB 20-2:674 0 AMB 20-1:674 2.80 (# 674:20 Double
Ambig)
&rst
ixpk= 674, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4=
5.59,
igr1= 752, 753, 752, 753, 752, 753,
igr2= 755, 756, 755, 756, 755, 756,
&end
#
# 104 ASP HN 104 ASP HB- 4.50 (# 675:20 Unique
2.30, 2.76 A)
&rst
ixpk= 675, nxpk= 20, iat=1548, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1552,1553,
&end
#
# 0 AMB 20-2:679 0 AMB 20-1:679 3.50 (# 679:20 Double
Ambig)
&rst
ixpk= 679, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4=
6.27,
igr1=2249,2250,2251,1061,1062,
igr2=1064,1065,1064,1065,
&end
#
# 104 ASP HN 104 ASP HB+ 3.50 (# 680:20 Unique
2.30, 2.76 A)
&rst
ixpk= 680, nxpk= 20, iat=1548, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1552,1553,
&end
#
# 8 VAL HB 62 ASP HB+ 3.50 (# 683:20 Unique
2.06, 2.92 A)
&rst
ixpk= 683, nxpk= 20, iat= 116, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2= 898, 899,
&end
#
# 0 AMB 20-2:684 0 AMB 20-1:684 3.50 (# 684:20 Double
Ambig)
&rst
ixpk= 684, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4=
6.06,
igr1=1570,1571, 694, 695,
igr2=1552,1553,1552,1553,
&end
#
# 0 AMB 20-2:685 0 AMB 20-1:685 4.50 (# 685:20 Double
Ambig)
&rst
ixpk= 685, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.02, r4=
8.52,
igr1=1570,1571, 118, 119, 120, 122, 123, 124,
igr2=1552,1553, 898, 899,
&end
#
# 0 AMB 20-2:686 0 AMB 20-1:686 3.50 (# 686:20 Double
Ambig)
&rst
ixpk= 686, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 118, 119, 120, 122, 123, 124,1380,1381,1382,1384,
1385,1386,1573,1574,1575,
igr2= 898, 899, 898, 899,1552,1553,
&end
#
# 114 GLN HG+ 116 ASP HB- 4.50 (# 687:20 Unique
4.06, 5.80 A)
&rst
ixpk= 687, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1708,1709,
igr2=1736,1737,
&end
#
# 8 VAL HB 62 ASP HB- 3.50 (# 689:20 Unique
2.06, 2.92 A)
&rst
ixpk= 689, nxpk= 20, iat= 116, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2= 898, 899,
&end
#
# 62 ASP HA 62 ASP HB- 4.50 (# 690:20 Unique
2.50, 2.78 A)
&rst
ixpk= 690, nxpk= 20, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 898, 899,
&end
#
# 0 AMB 20-2:692 62 ASP HB- 4.50 (# 692:20 Single
Ambig)
&rst
ixpk= 692, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4=
8.14,
igr1= 118, 119, 120, 122, 123, 124,1380,1381,1382,1384,
1385,1386,
igr2= 898, 899,
&end
#
# 53 LEU HN 53 LEU HB+ 4.50 (# 693:20 Unique
2.17, 2.98 A)
&rst
ixpk= 693, nxpk= 20, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 730, 731,
&end
#
# 53 LEU HA 53 LEU HB+ 3.50 (# 694:20 Unique
2.48, 2.78 A)
&rst
ixpk= 694, nxpk= 20, iat= 728, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2= 730, 731,
&end
#
# 0 AMB 20-2:697 0 AMB 20-1:697 2.80 (# 697:20 Double
Ambig)
&rst
ixpk= 697, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4=
6.61,
igr1= 735, 736, 737, 739, 740, 741, 735, 736, 737, 739,
740, 741, 53, 54, 55, 57, 58, 59,
igr2= 730, 731, 730, 731, 730, 731,
&end
#
# 101 LEU HN 101 LEU HB- 4.50 (# 698:20 Unique
1.99, 3.01 A)
&rst
ixpk= 698, nxpk= 20, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1496,1497,
&end
#
# 0 AMB 20-2:701 101 LEU HB- 3.50 (# 701:20 Single
Ambig)
&rst
ixpk= 701, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1573,1574,1575,1501,1502,1503,1505,1506,1507,
igr2=1496,1497,
&end
#
# 101 LEU HN 101 LEU HB+ 4.50 (# 702:20 Unique
1.99, 3.01 A)
&rst
ixpk= 702, nxpk= 20, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1496,1497,
&end
#
# 101 LEU HA 101 LEU HB+ 4.50 (# 703:20 Unique
2.37, 2.75 A)
&rst
ixpk= 703, nxpk= 20, iat=1494, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1496,1497,
&end
#
# 0 AMB 20-2:705 0 AMB 20-1:705 2.80 (# 705:20 Double
Ambig)
&rst
ixpk= 705, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4=
5.59,
igr1=1573,1574,1575,1501,1502,1503,1505,1506,1507,
igr2=1496,1497,1496,1497,
&end
#
# 0 AMB 20-2:707 0 AMB 20-1:707 3.50 (# 707:20 Double
Ambig)
&rst
ixpk= 707, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4=
9.84,
igr1=1501,1502,1503,1505,1506,1507, 629, 630, 631, 830,
831, 832, 834, 835, 836,1450,1451,1452,1607,1608,
1609,1611,1612,1613,1607,1608,1609,1611,1612,1613,
igr2=1496,1497,1496,1497,1496,1497,1496,1497,1496,1497,
1496,1497,
&end
#
# 53 LEU HN 53 LEU HB- 4.50 (# 708:20 Unique
2.17, 2.98 A)
&rst
ixpk= 708, nxpk= 20, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 730, 731,
&end
#
# 53 LEU HA 53 LEU HB- 3.50 (# 709:20 Unique
2.48, 2.78 A)
&rst
ixpk= 709, nxpk= 20, iat= 728, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2= 730, 731,
&end
#
# 0 AMB 20-2:712 53 LEU HB- 2.80 (# 712:20 Single
Ambig)
&rst
ixpk= 712, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4=
5.59,
igr1= 735, 736, 737, 739, 740, 741, 735, 736, 737, 739,
740, 741, 53, 54, 55, 57, 58, 59,
igr2= 730, 731,
&end
#
# 16 ASP HN 16 ASP HB+ 3.50 (# 713:20 Unique
2.25, 2.48 A)
&rst
ixpk= 713, nxpk= 20, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2= 217, 218,
&end
#
# 13 MET HB+ 16 ASP HB+ 4.50 (# 714:20 Unique
2.03, 3.35 A)
&rst
ixpk= 714, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 181, 182,
igr2= 217, 218,
&end
#
# 0 AMB 20-2:715 0 AMB 20-1:715 3.50 (# 715:20 Double
Ambig)
&rst
ixpk= 715, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4=
6.27,
igr1= 181, 182, 188, 189, 190,
igr2= 217, 218, 217, 218,
&end
#
# 118 VAL MGY 16 ASP HB+ 3.50 (# 716:20 Unique
2.33, 4.02 A)
&rst
ixpk= 716, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1=1769,1770,1771,1773,1774,1775,
igr2= 217, 218,
&end
#
# 16 ASP HN 16 ASP HB- 3.50 (# 717:20 Unique
2.25, 2.48 A)
&rst
ixpk= 717, nxpk= 20, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2= 217, 218,
&end
#
# 13 MET HB+ 16 ASP HB- 4.50 (# 718:20 Unique
2.03, 3.35 A)
&rst
ixpk= 718, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 181, 182,
igr2= 217, 218,
&end
#
# 0 AMB 20-2:719 16 ASP HB- 3.50 (# 719:20 Single
Ambig)
&rst
ixpk= 719, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4=
5.64,
igr1= 181, 182, 188, 189, 190,
igr2= 217, 218,
&end
#
# 118 VAL MGY 16 ASP HB- 3.50 (# 720:20 Unique
2.33, 4.02 A)
&rst
ixpk= 720, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1=1769,1770,1771,1773,1774,1775,
igr2= 217, 218,
&end
#
# 138 ARG HA 138 ARG HD- 2.80 (# 721:20 Unique
2.08, 3.02 A)
&rst
ixpk= 721, nxpk= 20, iat=2088, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr2=2096,2097,
&end
#
# 0 AMB 20-2:722 0 AMB 20-1:722 3.50 (# 722:20 Double
Ambig)
&rst
ixpk= 722, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.49, r4=
7.99,
igr1=1135,1136,1135,1136,2090,2091,2090,2091,1132,1133,
1132,1133,
igr2=1524,1525,1524,1525,2096,2097,1524,1525,
&end
#
# 138 ARG HA 138 ARG HD+ 3.50 (# 723:20 Unique
2.08, 3.02 A)
&rst
ixpk= 723, nxpk= 20, iat=2088, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=2096,2097,
&end
#
# 0 AMB 20-2:724 0 AMB 20-1:724 3.50 (# 724:20 Double
Ambig)
&rst
ixpk= 724, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4=
6.06,
igr1=2090,2091,2090,2091,
igr2=2096,2097,2096,2097,
&end
#
# 138 ARG HG+ 138 ARG HD+ 3.50 (# 725:20 Unique
2.24, 2.62 A)
&rst
ixpk= 725, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=2093,2094,
igr2=2096,2097,
&end
#
# 0 AMB 20-2:727 31 LYS HE- 3.50 (# 727:20 Single
Ambig)
&rst
ixpk= 727, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1= 413, 414, 407, 408,
igr2= 416, 417,
&end
#
# 31 LYS HD+ 31 LYS HE- 4.50 (# 728:20 Unique
2.31, 2.72 A)
&rst
ixpk= 728, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 413, 414,
igr2= 416, 417,
&end
#
# 0 AMB 20-2:729 31 LYS HE- 4.50 (# 729:20 Single
Ambig)
&rst
ixpk= 729, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1= 410, 411,2114,2115,
igr2= 416, 417,
&end
#
# 31 LYS HG- 31 LYS HE- 4.50 (# 730:20 Unique
2.32, 3.08 A)
&rst
ixpk= 730, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 410, 411,
igr2= 416, 417,
&end
#
# 0 AMB 20-2:732 0 AMB 20-1:732 3.50 (# 732:20 Double
Ambig)
&rst
ixpk= 732, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4=
6.06,
igr1= 413, 414, 407, 408,
igr2= 416, 417, 416, 417,
&end
#
# 151 LEU HN 151 LEU HB+ 4.50 (# 733:20 Unique
2.26, 2.41 A)
&rst
ixpk= 733, nxpk= 20, iat=2272, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=2276,2277,
&end
#
# 0 AMB 20-2:735 0 AMB 20-1:735 3.50 (# 735:20 Double
Ambig)
&rst
ixpk= 735, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1=2279,1107,1108,
igr2=2276,2277,2276,2277,
&end
#
# 151 LEU MDX 151 LEU HB+ 2.80 (# 737:20 Unique
2.34, 3.33 A)
&rst
ixpk= 737, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4=
4.74,
igr1=2281,2282,2283,2285,2286,2287,
igr2=2276,2277,
&end
#
# 151 LEU HN 151 LEU HB- 4.50 (# 738:20 Unique
2.26, 2.41 A)
&rst
ixpk= 738, nxpk= 20, iat=2272, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=2276,2277,
&end
#
# 0 AMB 20-2:740 151 LEU HB- 3.50 (# 740:20 Single
Ambig)
&rst
ixpk= 740, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1=2279,1107,1108,
igr2=2276,2277,
&end
#
# 151 LEU MDX 151 LEU HB- 3.50 (# 741:20 Unique
2.34, 3.33 A)
&rst
ixpk= 741, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1=2281,2282,2283,2285,2286,2287,
igr2=2276,2277,
&end
#
# 0 AMB 20-2:742 0 AMB 20-1:742 4.50 (# 742:20 Double
Ambig)
&rst
ixpk= 742, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4=
8.68,
igr1=2076,2077,1394,1395,1394,1395,
igr2=2096,2097,1524,1525,1524,1525,
&end
#
# 0 AMB 20-2:743 0 AMB 20-1:743 4.50 (# 743:20 Double
Ambig)
&rst
ixpk= 743, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4=
7.78,
igr1=1605,1537,1538,
igr2=1524,1525,1524,1525,1524,1525,
&end
#
# 0 AMB 20-2:744 0 AMB 20-1:744 2.80 (# 744:20 Double
Ambig)
&rst
ixpk= 744, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4=
6.10,
igr1=2093,2094,1521,1522,1521,1522,1521,1522,
igr2=2096,2097,1524,1525,1524,1525,1524,1525,
&end
#
# 102 LYS HG- 0 AMB 20-1:745 3.50 (# 745:20 Single
Ambig)
&rst
ixpk= 745, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1=1518,1519,
igr2=1524,1525,1524,1525,
&end
#
# 98 ILE QG2 0 AMB 20-1:746 4.50 (# 746:20 Single
Ambig)
&rst
ixpk= 746, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1=1450,1451,1452,
igr2=1524,1525,1524,1525,
&end
#
# 77 ASP HN 77 ASP HB+ 3.50 (# 747:20 Unique
2.29, 2.67 A)
&rst
ixpk= 747, nxpk= 20, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1120,1121,
&end
#
# 0 AMB 20-2:750 0 AMB 20-1:750 3.50 (# 750:20 Double
Ambig)
&rst
ixpk= 750, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4=
6.06,
igr1=1953,1954,1866,1867,
igr2=1956,1957,1956,1957,
&end
#
# 129 LYS HD- 129 LYS HE+ 4.50 (# 751:20 Unique
2.43, 2.77 A)
&rst
ixpk= 751, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1953,1954,
igr2=1956,1957,
&end
#
# 129 LYS HG+ 129 LYS HE+ 3.50 (# 752:20 Unique
2.29, 2.94 A)
&rst
ixpk= 752, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1950,1951,
igr2=1956,1957,
&end
#
# 129 LYS HD- 129 LYS HE- 3.50 (# 753:20 Unique
2.43, 2.77 A)
&rst
ixpk= 753, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1953,1954,
igr2=1956,1957,
&end
#
# 0 AMB 20-2:754 129 LYS HE- 3.50 (# 754:20 Single
Ambig)
&rst
ixpk= 754, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1=1953,1954,1866,1867,
igr2=1956,1957,
&end
#
# 0 AMB 20-2:755 129 LYS HE- 3.50 (# 755:20 Single
Ambig)
&rst
ixpk= 755, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1=1950,1951,1950,1951,
igr2=1956,1957,
&end
#
# 77 ASP HN 77 ASP HB- 3.50 (# 756:20 Unique
2.29, 2.67 A)
&rst
ixpk= 756, nxpk= 20, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1120,1121,
&end
#
# 98 ILE HN 97 LEU HB- 4.50 (# 759:20 Unique
2.17, 3.33 A)
&rst
ixpk= 759, nxpk= 20, iat=1444, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1429,1430,
&end
#
# 0 AMB 20-2:760 0 AMB 20-1:760 3.50 (# 760:20 Double
Ambig)
&rst
ixpk= 760, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1=1425,2110,
igr2=1429,1430,2114,2115,
&end
#
# 0 AMB 20-2:761 0 AMB 20-1:761 4.50 (# 761:20 Double
Ambig)
&rst
ixpk= 761, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.80, r4=
9.30,
igr1= 584,1373, 427, 428, 427, 428,2131,
igr2=1429,1430,2114,2115,2114,2115,2114,2115,
&end
#
# 97 LEU HA 97 LEU HB- 4.50 (# 762:20 Unique
2.29, 2.69 A)
&rst
ixpk= 762, nxpk= 20, iat=1427, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1429,1430,
&end
#
# 0 AMB 20-2:765 97 LEU HB- 2.80 (# 765:20 Single
Ambig)
&rst
ixpk= 765, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4=
5.26,
igr1=1434,1435,1436,1438,1439,1440,1380,1381,1382,1384,
1385,1386,
igr2=1429,1430,
&end
#
# 97 LEU HN 97 LEU HB+ 4.50 (# 767:20 Unique
1.86, 2.37 A)
&rst
ixpk= 767, nxpk= 20, iat=1425, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1429,1430,
&end
#
# 97 LEU HA 97 LEU HB+ 3.50 (# 768:20 Unique
2.29, 2.69 A)
&rst
ixpk= 768, nxpk= 20, iat=1427, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1429,1430,
&end
#
# 0 AMB 20-2:771 0 AMB 20-1:771 2.80 (# 771:20 Double
Ambig)
&rst
ixpk= 771, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4=
5.84,
igr1=1434,1435,1436,1438,1439,1440,1380,1381,1382,1384,
1385,1386,
igr2=1429,1430,1429,1430,
&end
#
# 94 LEU HA 94 LEU HB+ 3.50 (# 772:20 Unique
2.53, 2.85 A)
&rst
ixpk= 772, nxpk= 20, iat=1373, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1375,1376,
&end
#
# 0 AMB 20-2:775 0 AMB 20-1:775 2.80 (# 775:20 Double
Ambig)
&rst
ixpk= 775, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4=
6.61,
igr1=1380,1381,1382,1384,1385,1386,1380,1381,1382,1384,
1385,1386,1434,1435,1436,1438,1439,1440,
igr2=1375,1376,1375,1376,1375,1376,
&end
#
# 0 AMB 20-2:777 94 LEU HB- 2.80 (# 777:20 Single
Ambig)
&rst
ixpk= 777, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4=
5.26,
igr1=1380,1381,1382,1384,1385,1386,1434,1435,1436,1438,
1439,1440,
igr2=1375,1376,
&end
#
# 139 LEU MDX 139 LEU HB- 4.50 (# 780:20 Unique
2.32, 3.51 A)
&rst
ixpk= 780, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1=2119,2120,2121,2123,2124,2125,
igr2=2114,2115,
&end
#
# 63 ALA HA 113 ILE HB 4.50 (# 781:20 Unique
2.30, 2.37 A)
&rst
ixpk= 781, nxpk= 20, iat= 908,1686, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 113 ILE HG1- 113 ILE HB 3.50 (# 782:20 Unique
2.56, 2.82 A)
&rst
ixpk= 782, nxpk= 20, iat= -1,1686, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1692,1693,
&end
#
# 113 ILE QG2 113 ILE HB 2.80 (# 784:20 Unique
2.44, 2.67 A)
&rst
ixpk= 784, nxpk= 20, iat= -1,1686, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr1=1688,1689,1690,
&end
#
# 46 ASP HA 46 ASP HB+ 3.50 (# 785:20 Unique
2.62, 2.85 A)
&rst
ixpk= 785, nxpk= 20, iat= 613, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2= 615, 616,
&end
#
# 49 ALA MB 46 ASP HB+ 4.50 (# 786:20 Unique
2.84, 4.95 A)
&rst
ixpk= 786, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1= 662, 663, 664,
igr2= 615, 616,
&end
#
# 76 ILE QG2 80 ASP HB+ 3.50 (# 787:20 Unique
2.17, 4.07 A)
&rst
ixpk= 787, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1=1103,1104,1105,
igr2=1158,1159,
&end
#
# 80 ASP HN 80 ASP HB+ 2.80 (# 788:20 Unique
2.45, 2.74 A)
&rst
ixpk= 788, nxpk= 20, iat=1154, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr2=1158,1159,
&end
#
# 80 ASP HA 80 ASP HB+ 2.80 (# 789:20 Unique
2.47, 2.77 A)
&rst
ixpk= 789, nxpk= 20, iat=1156, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr2=1158,1159,
&end
#
# 128 ILE QD1 15 ASP HB+ 3.50 (# 790:20 Unique
3.90, 5.07 A)
&rst
ixpk= 790, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1=1937,1938,1939,
igr2= 205, 206,
&end
#
# 0 AMB 20-2:791 0 AMB 20-1:791 3.50 (# 791:20 Double
Ambig)
&rst
ixpk= 791, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4=
6.27,
igr1=1725,1726,1873,1874,1875,
igr2= 205, 206, 205, 206,
&end
#
# 46 ASP HN 46 ASP HB- 3.50 (# 792:20 Unique
2.22, 2.87 A)
&rst
ixpk= 792, nxpk= 20, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2= 615, 616,
&end
#
# 0 AMB 20-2:794 0 AMB 20-1:794 3.50 (# 794:20 Double
Ambig)
&rst
ixpk= 794, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4=
6.74,
igr1=1103,1104,1105, 681, 682, 683, 678, 679,
igr2=1158,1159, 615, 616,
&end
#
# 0 AMB 20-2:795 109 ILE HB 4.50 (# 795:20 Single
Ambig)
&rst
ixpk= 795, nxpk= 20, iat= -1,1621, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1617,1636,
&end
#
# 59 LEU HA 109 ILE HB 3.50 (# 796:20 Unique
2.17, 2.42 A)
&rst
ixpk= 796, nxpk= 20, iat= 842,1621, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 109 ILE HG1+ 109 ILE HB 3.50 (# 798:20 Unique
2.64, 2.87 A)
&rst
ixpk= 798, nxpk= 20, iat= -1,1621, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1627,1628,
&end
#
# 0 AMB 20-2:799 109 ILE HB 2.80 (# 799:20 Single
Ambig)
&rst
ixpk= 799, nxpk= 20, iat= -1,1621, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1=1630,1631,1632,1623,1624,1625,
&end
#
# 59 LEU MDY 109 ILE HB 3.50 (# 800:20 Unique
2.22, 4.38 A)
&rst
ixpk= 800, nxpk= 20, iat= -1,1621, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 849, 850, 851, 853, 854, 855,
&end
#
# 0 AMB 20-2:801 0 AMB 20-1:801 4.50 (# 801:20 Double
Ambig)
&rst
ixpk= 801, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1= 35, 47,
igr2= 39, 40, 39, 40,
&end
#
# 34 TRP HA 3 ASP HB+ 3.50 (# 802:20 Unique
2.29, 2.99 A)
&rst
ixpk= 802, nxpk= 20, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2= 39, 40,
&end
#
# 3 ASP HA 3 ASP HB- 4.50 (# 804:20 Unique
2.50, 2.84 A)
&rst
ixpk= 804, nxpk= 20, iat= 37, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 39, 40,
&end
#
# 34 TRP HA 3 ASP HB- 4.50 (# 806:20 Unique
2.29, 2.99 A)
&rst
ixpk= 806, nxpk= 20, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 39, 40,
&end
#
# 0 AMB 20-2:807 15 ASP HB- 4.50 (# 807:20 Single
Ambig)
&rst
ixpk= 807, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1725,1726,1873,1874,1875,
igr2= 205, 206,
&end
#
# 0 AMB 20-2:808 15 ASP HB- 3.50 (# 808:20 Single
Ambig)
&rst
ixpk= 808, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1930,1931,1932,1769,1770,1771,1773,1774,1775,
igr2= 205, 206,
&end
#
# 133 GLU HA 0 AMB 20-1:809 3.50 (# 809:20 Single
Ambig)
&rst
ixpk= 809, nxpk= 20, iat=2005, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr2= 339, 340, 339, 340,
&end
#
# 133 GLU HB- 0 AMB 20-1:810 4.50 (# 810:20 Single
Ambig)
&rst
ixpk= 810, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1=2007,2008,
igr2= 339, 340, 339, 340,
&end
#
# 25 LYS HG- 0 AMB 20-1:811 2.80 (# 811:20 Single
Ambig)
&rst
ixpk= 811, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4=
4.46,
igr1= 333, 334,
igr2= 339, 340, 339, 340,
&end
#
# 0 AMB 20-2:812 0 AMB 20-1:812 2.80 (# 812:20 Double
Ambig)
&rst
ixpk= 812, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4=
4.94,
igr1= 336, 337, 336, 337,
igr2= 339, 340, 339, 340,
&end
#
# 25 LYS HD- 0 AMB 20-1:813 2.80 (# 813:20 Single
Ambig)
&rst
ixpk= 813, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4=
4.46,
igr1= 336, 337,
igr2= 339, 340, 339, 340,
&end
#
# 21 LEU MDY 0 AMB 20-1:814 2.80 (# 814:20 Single
Ambig)
&rst
ixpk= 814, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4=
5.26,
igr1= 272, 273, 274, 276, 277, 278,
igr2= 339, 340, 339, 340,
&end
#
# 132 VAL MGX 0 AMB 20-1:815 2.80 (# 815:20 Single
Ambig)
&rst
ixpk= 815, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4=
5.26,
igr1=1993,1994,1995,1997,1998,1999,
igr2= 339, 340, 339, 340,
&end
#
# 0 AMB 20-2:816 0 AMB 20-1:816 3.50 (# 816:20 Double
Ambig)
&rst
ixpk= 816, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1= 263, 282,
igr2= 267, 268, 267, 268,
&end
#
# 21 LEU MDY 21 LEU HB+ 3.50 (# 819:20 Unique
2.34, 3.35 A)
&rst
ixpk= 819, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1= 272, 273, 274, 276, 277, 278,
igr2= 267, 268,
&end
#
# 73 ILE HN 73 ILE HB 3.50 (# 820:20 Unique
2.30, 2.44 A)
&rst
ixpk= 820, nxpk= 20, iat=1035,1039, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 20-2:821 21 LEU HB- 3.50 (# 821:20 Single
Ambig)
&rst
ixpk= 821, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 263, 282,
igr2= 267, 268,
&end
#
# 21 LEU HA 21 LEU HB- 3.50 (# 822:20 Unique
2.39, 2.72 A)
&rst
ixpk= 822, nxpk= 20, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2= 267, 268,
&end
#
# 0 AMB 20-2:824 0 AMB 20-1:824 3.50 (# 824:20 Double
Ambig)
&rst
ixpk= 824, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00,
igr1=1873,1874,1875,1045,1046,
igr2= 267, 268,1039,
&end
#
# 0 AMB 20-2:825 0 AMB 20-1:825 2.80 (# 825:20 Double
Ambig)
&rst
ixpk= 825, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4=
5.35,
igr1=1048,1049,1050, 272, 273, 274, 276, 277, 278,
igr2=1039, 267, 268,
&end
#
# 0 AMB 20-2:826 73 ILE HB 3.50 (# 826:20 Single
Ambig)
&rst
ixpk= 826, nxpk= 20, iat= -1,1039, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1=1045,1046,1665,1666,1667,1669,1670,1671,
&end
#
# 73 ILE QG2 73 ILE HB 2.80 (# 827:20 Unique
2.36, 2.64 A)
&rst
ixpk= 827, nxpk= 20, iat= -1,1039, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr1=1041,1042,1043,
&end
#
# 99 ASP HN 99 ASP HB+ 2.80 (# 828:20 Unique
2.33, 2.51 A)
&rst
ixpk= 828, nxpk= 20, iat=1463, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr2=1467,1468,
&end
#
# 0 AMB 20-2:829 0 AMB 20-1:829 4.50 (# 829:20 Double
Ambig)
&rst
ixpk= 829, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1=1475,1399,1400,
igr2=1467,1468,1467,1468,
&end
#
# 79 ASP HA 79 ASP HB- 2.80 (# 832:20 Unique
2.47, 2.76 A)
&rst
ixpk= 832, nxpk= 20, iat=1144, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr2=1146,1147,
&end
#
# 99 ASP HN 99 ASP HB- 2.80 (# 833:20 Unique
2.33, 2.51 A)
&rst
ixpk= 833, nxpk= 20, iat=1463, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr2=1467,1468,
&end
#
# 0 AMB 20-2:834 99 ASP HB- 4.50 (# 834:20 Single
Ambig)
&rst
ixpk= 834, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1475,1399,1400,
igr2=1467,1468,
&end
#
# 99 ASP HA 99 ASP HB- 2.80 (# 835:20 Unique
2.36, 2.73 A)
&rst
ixpk= 835, nxpk= 20, iat=1465, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr2=1467,1468,
&end
#
# 0 AMB 20-2:836 99 ASP HB- 3.50 (# 836:20 Single
Ambig)
&rst
ixpk= 836, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4=
6.06,
igr1=1482,1483,1135,1136,1479,1480,1479,1480,
igr2=1467,1468,
&end
#
# 0 AMB 20-2:837 110 PHE HB- 3.50 (# 837:20 Single
Ambig)
&rst
ixpk= 837, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1=1457,1458,1459, 872, 873, 874,
igr2=1640,1641,
&end
#
# 37 ILE HN 37 ILE HB 4.50 (# 838:20 Unique
2.51, 2.64 A)
&rst
ixpk= 838, nxpk= 20, iat= 502, 506, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 6 LEU HA 37 ILE HB 3.50 (# 839:20 Unique
2.41, 2.55 A)
&rst
ixpk= 839, nxpk= 20, iat= 84, 506, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 37 ILE HG1+ 37 ILE HB 3.50 (# 840:20 Unique
2.39, 2.73 A)
&rst
ixpk= 840, nxpk= 20, iat= -1, 506, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 512, 513,
&end
#
# 37 ILE HG1- 37 ILE HB 3.50 (# 841:20 Unique
2.39, 2.73 A)
&rst
ixpk= 841, nxpk= 20, iat= -1, 506, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 512, 513,
&end
#
# 0 AMB 20-2:842 37 ILE HB 3.50 (# 842:20 Single
Ambig)
&rst
ixpk= 842, nxpk= 20, iat= -1, 506, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00,
igr1= 91, 92, 93, 95, 96, 97, 674, 675, 676, 830,
831, 832, 834, 835, 836,
&end
#
# 0 AMB 20-2:843 37 ILE HB 2.80 (# 843:20 Single
Ambig)
&rst
ixpk= 843, nxpk= 20, iat= -1, 506, r1= 1.30, r2= 1.80, r3= 4.24, r4=
4.74,
igr1= 508, 509, 510, 515, 516, 517, 91, 92, 93, 95,
96, 97,
&end
#
# 60 ILE HN 60 ILE HB 3.50 (# 844:20 Unique
2.58, 2.72 A)
&rst
ixpk= 844, nxpk= 20, iat= 859, 863, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 110 PHE HA 60 ILE HB 3.50 (# 845:20 Unique
2.11, 2.20 A)
&rst
ixpk= 845, nxpk= 20, iat=1638, 863, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 20-2:846 60 ILE HB 3.50 (# 846:20 Single
Ambig)
&rst
ixpk= 846, nxpk= 20, iat= -1, 863, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 872, 873, 874,1457,1458,1459,
&end
#
# 22 LEU HN 22 LEU HB- 4.50 (# 847:20 Unique
2.00, 2.68 A)
&rst
ixpk= 847, nxpk= 20, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 286, 287,
&end
#
# 0 AMB 20-2:849 22 LEU HB- 3.50 (# 849:20 Single
Ambig)
&rst
ixpk= 849, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4=
6.44,
igr1=1993,1994,1995,1997,1998,1999, 291, 292, 293, 295,
296, 297,
igr2= 286, 287,
&end
#
# 0 AMB 20-2:850 22 LEU HB- 2.80 (# 850:20 Single
Ambig)
&rst
ixpk= 850, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4=
5.59,
igr1=1993,1994,1995,1997,1998,1999, 291, 292, 293, 295,
296, 297,2038,2039,2040,2042,2043,2044,
igr2= 286, 287,
&end
#
# 148 PHE HD 148 PHE HB+ 3.50 (# 853:20 Unique
2.42, 3.11 A)
&rst
ixpk= 853, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=2233,2241,
igr2=2229,2230,
&end
#
# 148 PHE HA 148 PHE HB+ 3.50 (# 854:20 Unique
2.50, 2.79 A)
&rst
ixpk= 854, nxpk= 20, iat=2227, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=2229,2230,
&end
#
# 75 ILE HG1+ 148 PHE HB+ 4.50 (# 855:20 Unique
2.45, 3.22 A)
&rst
ixpk= 855, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1088,1089,
igr2=2229,2230,
&end
#
# 148 PHE HD 148 PHE HB- 4.50 (# 856:20 Unique
2.42, 3.11 A)
&rst
ixpk= 856, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=2233,2241,
igr2=2229,2230,
&end
#
# 148 PHE HN 148 PHE HB- 4.50 (# 857:20 Unique
2.24, 2.91 A)
&rst
ixpk= 857, nxpk= 20, iat=2225, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=2229,2230,
&end
#
# 75 ILE QD1 148 PHE HB- 4.50 (# 858:20 Unique
2.18, 3.39 A)
&rst
ixpk= 858, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1091,1092,1093,
igr2=2229,2230,
&end
#
# 65 ASP HN 65 ASP HB+ 3.50 (# 859:20 Unique
2.42, 2.55 A)
&rst
ixpk= 859, nxpk= 20, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2= 934, 935,
&end
#
# 130 ASP HN 0 AMB 20-1:861 3.50 (# 861:20 Single
Ambig)
&rst
ixpk= 861, nxpk= 20, iat=1965, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr2=1969,1970,1969,1970,
&end
#
# 0 AMB 20-2:862 0 AMB 20-1:862 2.80 (# 862:20 Double
Ambig)
&rst
ixpk= 862, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4=
4.74,
igr1=1144,1920,
igr2=1146,1147,1969,1970,1969,1970,
&end
#
# 79 ASP HN 79 ASP HB- 3.50 (# 863:20 Unique
2.46, 2.52 A)
&rst
ixpk= 863, nxpk= 20, iat=1142, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1146,1147,
&end
#
# 10 ASN HN 10 ASN HB- 3.50 (# 864:20 Unique
2.55, 2.83 A)
&rst
ixpk= 864, nxpk= 20, iat= 135, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2= 139, 140,
&end
#
# 110 PHE HA 110 PHE HB- 4.50 (# 865:20 Unique
2.55, 2.82 A)
&rst
ixpk= 865, nxpk= 20, iat=1638, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1640,1641,
&end
#
# 76 ILE HN 76 ILE HB 3.50 (# 867:20 Unique
2.89, 3.02 A)
&rst
ixpk= 867, nxpk= 20, iat=1097,1101, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 105 ILE HN 105 ILE HB 3.50 (# 868:20 Unique
2.27, 2.36 A)
&rst
ixpk= 868, nxpk= 20, iat=1560,1564, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 105 ILE HA 105 ILE HB 3.50 (# 869:20 Unique
3.03, 3.04 A)
&rst
ixpk= 869, nxpk= 20, iat=1562,1564, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 105 ILE QG2 105 ILE HB 2.80 (# 870:20 Unique
2.43, 2.66 A)
&rst
ixpk= 870, nxpk= 20, iat= -1,1564, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr1=1566,1567,1568,
&end
#
# 10 ASN HN 10 ASN HB+ 3.50 (# 871:20 Unique
2.55, 2.83 A)
&rst
ixpk= 871, nxpk= 20, iat= 135, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2= 139, 140,
&end
#
# 13 MET HB+ 10 ASN HB+ 3.50 (# 873:20 Unique
2.33, 3.42 A)
&rst
ixpk= 873, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 181, 182,
igr2= 139, 140,
&end
#
# 13 MET HB- 10 ASN HB+ 3.50 (# 874:20 Unique
2.33, 3.42 A)
&rst
ixpk= 874, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 181, 182,
igr2= 139, 140,
&end
#
# 0 AMB 20-2:875 0 AMB 20-1:875 3.50 (# 875:20 Double
Ambig)
&rst
ixpk= 875, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1= 521, 101,
igr2= 525, 526, 525, 526,
&end
#
# 23 ALA MB 38 ASP HB+ 3.50 (# 877:20 Unique
2.32, 3.76 A)
&rst
ixpk= 877, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 305, 306, 307,
igr2= 525, 526,
&end
#
# 131 ALA HN 0 AMB 20-1:878 4.50 (# 878:20 Single
Ambig)
&rst
ixpk= 878, nxpk= 20, iat=1977, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr2=1969,1970,1969,1970,
&end
#
# 13 MET HB- 10 ASN HB- 3.50 (# 880:20 Unique
2.33, 3.42 A)
&rst
ixpk= 880, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 181, 182,
igr2= 139, 140,
&end
#
# 0 AMB 20-2:881 38 ASP HB- 3.50 (# 881:20 Single
Ambig)
&rst
ixpk= 881, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 521, 101,
igr2= 525, 526,
&end
#
# 38 ASP HA 38 ASP HB- 3.50 (# 882:20 Unique
2.34, 2.69 A)
&rst
ixpk= 882, nxpk= 20, iat= 523, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2= 525, 526,
&end
#
# 23 ALA MB 38 ASP HB- 3.50 (# 884:20 Unique
2.32, 3.76 A)
&rst
ixpk= 884, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 305, 306, 307,
igr2= 525, 526,
&end
#
# 117 ILE HN 117 ILE HB 4.50 (# 885:20 Unique
3.03, 3.71 A)
&rst
ixpk= 885, nxpk= 20, iat=1744,1748, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 117 ILE HA 117 ILE HB 4.50 (# 886:20 Unique
2.21, 2.27 A)
&rst
ixpk= 886, nxpk= 20, iat=1746,1748, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 117 ILE HG1+ 117 ILE HB 3.50 (# 887:20 Unique
2.35, 2.81 A)
&rst
ixpk= 887, nxpk= 20, iat= -1,1748, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1754,1755,
&end
#
# 117 ILE HG1- 117 ILE HB 3.50 (# 888:20 Unique
2.35, 2.81 A)
&rst
ixpk= 888, nxpk= 20, iat= -1,1748, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1754,1755,
&end
#
# 117 ILE QD1 117 ILE HB 3.50 (# 889:20 Unique
2.42, 2.97 A)
&rst
ixpk= 889, nxpk= 20, iat= -1,1748, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1=1757,1758,1759,
&end
#
# 120 PHE HN 120 PHE HB- 2.80 (# 890:20 Unique
2.39, 3.03 A)
&rst
ixpk= 890, nxpk= 20, iat=1786, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr2=1790,1791,
&end
#
# 136 TYR HN 136 TYR HB+ 4.50 (# 891:20 Unique
2.07, 2.47 A)
&rst
ixpk= 891, nxpk= 20, iat=2048, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=2052,2053,
&end
#
# 0 AMB 20-2:892 0 AMB 20-1:892 3.50 (# 892:20 Double
Ambig)
&rst
ixpk= 892, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1=2056,2065,2164,
igr2=2052,2053,2201,2202,
&end
#
# 133 GLU HA 136 TYR HB+ 4.50 (# 893:20 Unique
2.17, 3.00 A)
&rst
ixpk= 893, nxpk= 20, iat=2005, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=2052,2053,
&end
#
# 0 AMB 20-2:894 0 AMB 20-1:894 4.50 (# 894:20 Double
Ambig)
&rst
ixpk= 894, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4=
7.64,
igr1=1088,1089, 330, 331,
igr2=2201,2202,2052,2053,
&end
#
# 0 AMB 20-2:895 0 AMB 20-1:895 3.50 (# 895:20 Double
Ambig)
&rst
ixpk= 895, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4=
7.64,
igr1= 291, 292, 293, 295, 296, 297,1084,1085,1086,1623,
1624,1625,
igr2=2052,2053,2201,2202,2201,2202,
&end
#
# 145 ASN HA 145 ASN HB+ 4.50 (# 896:20 Unique
2.36, 2.80 A)
&rst
ixpk= 896, nxpk= 20, iat=2199, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=2201,2202,
&end
#
# 85 PHE HD 85 PHE HB+ 3.50 (# 898:20 Unique
2.39, 3.07 A)
&rst
ixpk= 898, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1235,1243,
igr2=1231,1232,
&end
#
# 0 AMB 20-2:900 0 AMB 20-1:900 4.50 (# 900:20 Double
Ambig)
&rst
ixpk= 900, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1=1227,1247,
igr2=1231,1232,1231,1232,
&end
#
# 85 PHE HA 85 PHE HB+ 3.50 (# 901:20 Unique
2.70, 2.87 A)
&rst
ixpk= 901, nxpk= 20, iat=1229, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1231,1232,
&end
#
# 145 ASN HA 145 ASN HB- 3.50 (# 902:20 Unique
2.36, 2.80 A)
&rst
ixpk= 902, nxpk= 20, iat=2199, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=2201,2202,
&end
#
# 85 PHE HN 85 PHE HB- 2.80 (# 904:20 Unique
2.09, 2.74 A)
&rst
ixpk= 904, nxpk= 20, iat=1227, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr2=1231,1232,
&end
#
# 85 PHE HD 85 PHE HB- 3.50 (# 905:20 Unique
2.39, 3.07 A)
&rst
ixpk= 905, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1235,1243,
igr2=1231,1232,
&end
#
# 136 TYR HN 136 TYR HB- 3.50 (# 907:20 Unique
2.07, 2.47 A)
&rst
ixpk= 907, nxpk= 20, iat=2048, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=2052,2053,
&end
#
# 136 TYR HD 136 TYR HB- 3.50 (# 908:20 Unique
2.33, 3.08 A)
&rst
ixpk= 908, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=2056,2065,
igr2=2052,2053,
&end
#
# 133 GLU HA 136 TYR HB- 4.50 (# 909:20 Unique
2.17, 3.00 A)
&rst
ixpk= 909, nxpk= 20, iat=2005, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=2052,2053,
&end
#
# 136 TYR HA 136 TYR HB- 3.50 (# 910:20 Unique
2.22, 2.68 A)
&rst
ixpk= 910, nxpk= 20, iat=2050, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=2052,2053,
&end
#
# 22 LEU MDY 136 TYR HB- 3.50 (# 911:20 Unique
2.31, 4.92 A)
&rst
ixpk= 911, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1= 291, 292, 293, 295, 296, 297,
igr2=2052,2053,
&end
#
# 33 ASN HA 33 ASN HB+ 2.80 (# 912:20 Unique
2.20, 2.72 A)
&rst
ixpk= 912, nxpk= 20, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr2= 436, 437,
&end
#
# 120 PHE HD 120 PHE HB- 4.50 (# 914:20 Unique
2.40, 3.08 A)
&rst
ixpk= 914, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1794,1802,
igr2=1790,1791,
&end
#
# 120 PHE HA 120 PHE HB- 4.50 (# 915:20 Unique
2.39, 2.71 A)
&rst
ixpk= 915, nxpk= 20, iat=1788, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1790,1791,
&end
#
# 120 PHE HN 120 PHE HB+ 2.80 (# 916:20 Unique
2.39, 3.03 A)
&rst
ixpk= 916, nxpk= 20, iat=1786, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr2=1790,1791,
&end
#
# 120 PHE HD 120 PHE HB+ 3.50 (# 917:20 Unique
2.40, 3.08 A)
&rst
ixpk= 917, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1794,1802,
igr2=1790,1791,
&end
#
# 120 PHE HA 120 PHE HB+ 2.80 (# 918:20 Unique
2.39, 2.71 A)
&rst
ixpk= 918, nxpk= 20, iat=1788, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr2=1790,1791,
&end
#
# 33 ASN HD2- 33 ASN HB- 4.50 (# 919:20 Unique
2.27, 3.37 A)
&rst
ixpk= 919, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 441, 442,
igr2= 436, 437,
&end
#
# 33 ASN HA 33 ASN HB- 3.50 (# 920:20 Unique
2.20, 2.72 A)
&rst
ixpk= 920, nxpk= 20, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2= 436, 437,
&end
#
# 45 ASN HD2+ 45 ASN HB- 4.50 (# 922:20 Unique
2.30, 3.44 A)
&rst
ixpk= 922, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 606, 607,
igr2= 601, 602,
&end
#
# 45 ASN HA 45 ASN HB- 3.50 (# 923:20 Unique
2.23, 2.56 A)
&rst
ixpk= 923, nxpk= 20, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2= 601, 602,
&end
#
# 45 ASN HN 45 ASN HB+ 2.80 (# 924:20 Unique
2.12, 2.85 A)
&rst
ixpk= 924, nxpk= 20, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr2= 601, 602,
&end
#
# 45 ASN HD2+ 45 ASN HB+ 4.50 (# 925:20 Unique
2.30, 3.44 A)
&rst
ixpk= 925, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 606, 607,
igr2= 601, 602,
&end
#
# 45 ASN HA 45 ASN HB+ 3.50 (# 926:20 Unique
2.23, 2.56 A)
&rst
ixpk= 926, nxpk= 20, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2= 601, 602,
&end
#
# 69 ASN HN 72 GLU HG+ 4.50 (# 927:20 Unique
2.11, 2.84 A)
&rst
ixpk= 927, nxpk= 20, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1027,1028,
&end
#
# 72 GLU HN 72 GLU HG+ 4.50 (# 928:20 Unique
2.75, 3.34 A)
&rst
ixpk= 928, nxpk= 20, iat=1020, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1027,1028,
&end
#
# 72 GLU HA 72 GLU HG+ 4.50 (# 929:20 Unique
2.59, 3.19 A)
&rst
ixpk= 929, nxpk= 20, iat=1022, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1027,1028,
&end
#
# 72 GLU HB+ 72 GLU HG+ 2.80 (# 931:20 Unique
2.24, 2.62 A)
&rst
ixpk= 931, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1=1024,1025,
igr2=1027,1028,
&end
#
# 68 LEU HB+ 72 GLU HG+ 4.50 (# 932:20 Unique
2.25, 3.31 A)
&rst
ixpk= 932, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 970, 971,
igr2=1027,1028,
&end
#
# 0 AMB 20-2:933 0 AMB 20-1:933 4.50 (# 933:20 Double
Ambig)
&rst
ixpk= 933, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4=
9.08,
igr1= 975, 976, 977, 979, 980, 981, 975, 976, 977, 979,
980, 981,
igr2=1027,1028,1027,1028,
&end
#
# 72 GLU HN 72 GLU HG- 3.50 (# 934:20 Unique
2.75, 3.34 A)
&rst
ixpk= 934, nxpk= 20, iat=1020, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1027,1028,
&end
#
# 72 GLU HA 72 GLU HG- 3.50 (# 935:20 Unique
2.59, 3.19 A)
&rst
ixpk= 935, nxpk= 20, iat=1022, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1027,1028,
&end
#
# 0 AMB 20-2:936 72 GLU HG- 3.50 (# 936:20 Single
Ambig)
&rst
ixpk= 936, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1= 989, 990, 989, 990,
igr2=1027,1028,
&end
#
# 72 GLU HB+ 72 GLU HG- 2.80 (# 938:20 Unique
2.24, 2.62 A)
&rst
ixpk= 938, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1=1024,1025,
igr2=1027,1028,
&end
#
# 47 ILE HN 47 ILE HB 2.80 (# 939:20 Unique
2.31, 2.35 A)
&rst
ixpk= 939, nxpk= 20, iat= 623, 627, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 81 ILE HN 81 ILE HB 3.50 (# 940:20 Unique
2.23, 2.38 A)
&rst
ixpk= 940, nxpk= 20, iat=1166,1170, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 81 ILE HA 81 ILE HB 3.50 (# 941:20 Unique
3.02, 3.04 A)
&rst
ixpk= 941, nxpk= 20, iat=1168,1170, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 81 ILE QG2 81 ILE HB 2.80 (# 942:20 Unique
2.33, 2.66 A)
&rst
ixpk= 942, nxpk= 20, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr1=1172,1173,1174,
&end
#
# 96 TYR HN 0 AMB 20-1:943 2.80 (# 943:20 Single
Ambig)
&rst
ixpk= 943, nxpk= 20, iat=1404, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr2=1408,1409,1408,1409,
&end
#
# 96 TYR HD 0 AMB 20-1:944 2.80 (# 944:20 Single
Ambig)
&rst
ixpk= 944, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4=
4.46,
igr1=1412,1421,
igr2=1408,1409,1408,1409,
&end
#
# 96 TYR HA 0 AMB 20-1:945 2.80 (# 945:20 Single
Ambig)
&rst
ixpk= 945, nxpk= 20, iat=1406, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr2=1408,1409,1408,1409,
&end
#
# 0 AMB 20-2:946 0 AMB 20-1:946 3.50 (# 946:20 Double
Ambig)
&rst
ixpk= 946, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4=
7.50,
igr1=1361,1362,1361,1362,1361,1362,1364,1365,
igr2=1408,1409,1408,1409,1408,1409,1408,1409,
&end
#
# 122 TYR HN 122 TYR HB+ 4.50 (# 947:20 Unique
2.20, 2.95 A)
&rst
ixpk= 947, nxpk= 20, iat=1827, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1831,1832,
&end
#
# 95 ASN HN 95 ASN HB+ 4.50 (# 948:20 Unique
2.24, 2.93 A)
&rst
ixpk= 948, nxpk= 20, iat=1390, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1394,1395,
&end
#
# 122 TYR HN 122 TYR HB- 3.50 (# 949:20 Unique
2.20, 2.95 A)
&rst
ixpk= 949, nxpk= 20, iat=1827, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1831,1832,
&end
#
# 122 TYR HA 122 TYR HB- 3.50 (# 950:20 Unique
2.46, 2.79 A)
&rst
ixpk= 950, nxpk= 20, iat=1829, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1831,1832,
&end
#
# 33 ASN HN 33 ASN HA 4.50 (# 952:20 Unique
2.17, 2.62 A)
&rst
ixpk= 952, nxpk= 20, iat= 432, 434, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 20-2:953 0 AMB 20-1:953 2.80 (# 953:20 Double
Ambig)
&rst
ixpk= 953, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1= 625, 670,
igr2= 672, 627,
&end
#
# 0 AMB 20-2:954 0 AMB 20-1:954 2.80 (# 954:20 Double
Ambig)
&rst
ixpk= 954, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4=
5.89,
igr1=1501,1502,1503,1505,1506,1507,1450,1451,1452, 636,
637, 638, 629, 630, 631,1454,1455,
igr2= 672,1448, 627,
&end
#
# 51 ARG HN 50 ILE HB 4.50 (# 955:20 Unique
2.37, 2.44 A)
&rst
ixpk= 955, nxpk= 20, iat= 687, 672, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 50 ILE HN 50 ILE HB 2.80 (# 956:20 Unique
2.44, 2.53 A)
&rst
ixpk= 956, nxpk= 20, iat= 668, 672, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 95 ASN HA 98 ILE HB 4.50 (# 957:20 Unique
2.17, 2.42 A)
&rst
ixpk= 957, nxpk= 20, iat=1392,1448, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 82 ALA HN 81 ILE HB 3.50 (# 958:20 Unique
2.47, 2.60 A)
&rst
ixpk= 958, nxpk= 20, iat=1185,1170, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 81 ILE QD1 81 ILE HB 3.50 (# 959:20 Unique
2.47, 3.19 A)
&rst
ixpk= 959, nxpk= 20, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1=1179,1180,1181,
&end
#
# 31 LYS HA 31 LYS HB+ 4.50 (# 960:20 Unique
2.21, 2.74 A)
&rst
ixpk= 960, nxpk= 20, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 407, 408,
&end
#
# 0 AMB 20-2:963 0 AMB 20-1:963 3.50 (# 963:20 Double
Ambig)
&rst
ixpk= 963, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4=
6.06,
igr1=2114,2115, 410, 411,
igr2= 407, 408, 407, 408,
&end
#
# 31 LYS HG- 31 LYS HB+ 3.50 (# 964:20 Unique
2.28, 2.61 A)
&rst
ixpk= 964, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 410, 411,
igr2= 407, 408,
&end
#
# 31 LYS HA 31 LYS HB- 4.50 (# 965:20 Unique
2.21, 2.74 A)
&rst
ixpk= 965, nxpk= 20, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 407, 408,
&end
#
# 139 LEU HB- 31 LYS HB- 3.50 (# 968:20 Unique
2.15, 2.70 A)
&rst
ixpk= 968, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=2114,2115,
igr2= 407, 408,
&end
#
# 31 LYS HG- 31 LYS HB- 4.50 (# 969:20 Unique
2.28, 2.61 A)
&rst
ixpk= 969, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 410, 411,
igr2= 407, 408,
&end
#
# 0 AMB 20-2:970 0 AMB 20-1:970 3.50 (# 970:20 Double
Ambig)
&rst
ixpk= 970, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1=1392,1138,
igr2=1394,1395,1394,1395,
&end
#
# 69 ASN HD2- 0 AMB 20-1:971 3.50 (# 971:20 Single
Ambig)
&rst
ixpk= 971, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1= 994, 995,
igr2= 989, 990, 989, 990,
&end
#
# 69 ASN HN 0 AMB 20-1:972 3.50 (# 972:20 Single
Ambig)
&rst
ixpk= 972, nxpk= 20, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr2= 989, 990, 989, 990,
&end
#
# 69 ASN HA 0 AMB 20-1:973 2.80 (# 973:20 Single
Ambig)
&rst
ixpk= 973, nxpk= 20, iat= 987, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr2= 989, 990, 989, 990,
&end
#
# 0 AMB 20-2:974 0 AMB 20-1:974 3.50 (# 974:20 Double
Ambig)
&rst
ixpk= 974, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4=
6.06,
igr1=1000,1001,1000,1001,
igr2= 989, 990, 989, 990,
&end
#
# 70 PRO HD- 0 AMB 20-1:975 3.50 (# 975:20 Single
Ambig)
&rst
ixpk= 975, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1=1000,1001,
igr2= 989, 990, 989, 990,
&end
#
# 72 GLU HG- 0 AMB 20-1:976 3.50 (# 976:20 Single
Ambig)
&rst
ixpk= 976, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1=1027,1028,
igr2= 989, 990, 989, 990,
&end
#
# 0 AMB 20-2:977 95 ASN HB- 3.50 (# 977:20 Single
Ambig)
&rst
ixpk= 977, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1392,1138,
igr2=1394,1395,
&end
#
# 75 ILE HN 75 ILE HB 4.50 (# 978:20 Unique
2.23, 2.26 A)
&rst
ixpk= 978, nxpk= 20, iat=1078,1082, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 20-2:979 75 ILE HB 2.80 (# 979:20 Single
Ambig)
&rst
ixpk= 979, nxpk= 20, iat= -1,1082, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1=2257,1080,
&end
#
# 75 ILE HG1+ 75 ILE HB 3.50 (# 980:20 Unique
2.28, 2.40 A)
&rst
ixpk= 980, nxpk= 20, iat= -1,1082, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1088,1089,
&end
#
# 75 ILE QG2 75 ILE HB 2.80 (# 981:20 Unique
2.38, 2.63 A)
&rst
ixpk= 981, nxpk= 20, iat= -1,1082, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr1=1084,1085,1086,
&end
#
# 52 GLU HN 52 GLU HG- 3.50 (# 982:20 Unique
2.75, 3.39 A)
&rst
ixpk= 982, nxpk= 20, iat= 711, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2= 718, 719,
&end
#
# 0 AMB 20-2:983 52 GLU HG- 3.50 (# 983:20 Single
Ambig)
&rst
ixpk= 983, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 660, 713,
igr2= 718, 719,
&end
#
# 0 AMB 20-2:985 52 GLU HG- 2.80 (# 985:20 Single
Ambig)
&rst
ixpk= 985, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4=
4.46,
igr1= 715, 716, 715, 716,
igr2= 718, 719,
&end
#
# 0 AMB 20-2:986 52 GLU HG- 3.50 (# 986:20 Single
Ambig)
&rst
ixpk= 986, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4=
6.44,
igr1= 648, 649, 650, 652, 653, 654, 735, 736, 737, 739,
740, 741,
igr2= 718, 719,
&end
#
# 0 AMB 20-2:987 0 AMB 20-1:987 2.80 (# 987:20 Double
Ambig)
&rst
ixpk= 987, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4=
4.46,
igr1= 660, 713,
igr2= 718, 719, 718, 719,
&end
#
# 103 GLU HN 103 GLU HG+ 3.50 (# 988:20 Unique
2.03, 2.90 A)
&rst
ixpk= 988, nxpk= 20, iat=1533, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1540,1541,
&end
#
# 0 AMB 20-2:989 0 AMB 20-1:989 3.50 (# 989:20 Double
Ambig)
&rst
ixpk= 989, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1=1197,1535,
igr2=1202,1203,1540,1541,
&end
#
# 0 AMB 20-2:990 0 AMB 20-1:990 4.50 (# 990:20 Double
Ambig)
&rst
ixpk= 990, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1=2129,2175,
igr2=2136,2137,2182,2183,
&end
#
# 0 AMB 20-2:991 0 AMB 20-1:991 3.50 (# 991:20 Double
Ambig)
&rst
ixpk= 991, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1=1477, 313,
igr2=1540,1541, 318, 319,
&end
#
# 0 AMB 20-2:992 0 AMB 20-1:992 4.50 (# 992:20 Double
Ambig)
&rst
ixpk= 992, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4=
9.68,
igr1=1518,1519, 407, 408, 333, 334, 373, 374, 375,
igr2=1540,1541,2136,2137, 318, 319, 318, 319,
&end
#
# 154 GLU HA 0 AMB 20-1:994 4.50 (# 994:20 Single
Ambig)
&rst
ixpk= 994, nxpk= 20, iat=2319, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr2=2339,2340,2339,2340,
&end
#
# 154 GLU HN 0 AMB 20-1:995 4.50 (# 995:20 Single
Ambig)
&rst
ixpk= 995, nxpk= 20, iat=2317, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr2=2324,2325,2324,2325,
&end
#
# 103 GLU HN 103 GLU HG- 3.50 (# 996:20 Unique
2.03, 2.90 A)
&rst
ixpk= 996, nxpk= 20, iat=1533, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1540,1541,
&end
#
# 107 GLU HA 107 GLU HG+ 3.50 (# 997:20 Unique
2.31, 3.19 A)
&rst
ixpk= 997, nxpk= 20, iat=1588, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1593,1594,
&end
#
# 0 AMB 20-2:998 0 AMB 20-1:998 5.50 (# 998:20 Double
Ambig)
&rst
ixpk= 998, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=2319,2334,
igr2=2324,2325,2324,2325,2324,2325,
&end
#
# 0 AMB 20-2:999 0 AMB 20-1:999 2.80 (# 999:20 Double
Ambig)
&rst
ixpk= 999, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4=
4.74,
igr1=2349,1535,
igr2=2354,2355,2354,2355,1540,1541,
&end
#
# 107 GLU HA 107 GLU HG- 3.50 (# 1000:20 Unique
2.31, 3.19 A)
&rst
ixpk= 1000, nxpk= 20, iat=1588, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1593,1594,
&end
#
# 24 GLU HN 24 GLU HG- 4.50 (# 1001:20 Unique
4.10, 4.27 A)
&rst
ixpk= 1001, nxpk= 20, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 318, 319,
&end
#
# 128 ILE HN 128 ILE HB 4.50 (# 1002:20 Unique
2.21, 2.25 A)
&rst
ixpk= 1002, nxpk= 20, iat=1924,1928, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 24 GLU HA 24 GLU HG- 3.50 (# 1003:20 Unique
2.59, 3.15 A)
&rst
ixpk= 1003, nxpk= 20, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2= 318, 319,
&end
#
# 0 AMB 20-2:1004 107 GLU HG- 2.80 (# 1004:20 Single
Ambig)
&rst
ixpk= 1004, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4=
4.46,
igr1=1590,1591, 801, 802,
igr2=1593,1594,
&end
#
# 128 ILE QG2 128 ILE HB 2.80 (# 1005:20 Unique
2.39, 2.65 A)
&rst
ixpk= 1005, nxpk= 20, iat= -1,1928, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr1=1930,1931,1932,
&end
#
# 128 ILE QG2 128 ILE HG1- 2.80 (# 1006:20 Unique
2.29, 2.97 A)
&rst
ixpk= 1006, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1=1930,1931,1932,
igr2=1934,1935,
&end
#
# 109 ILE HG1- 107 GLU HG- 4.50 (# 1009:20 Unique
2.17, 3.39 A)
&rst
ixpk= 1009, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1627,1628,
igr2=1593,1594,
&end
#
# 121 TYR HD 121 TYR HB+ 4.50 (# 1010:20 Unique
2.37, 3.08 A)
&rst
ixpk= 1010, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1814,1823,
igr2=1810,1811,
&end
#
# 121 TYR HA 121 TYR HB+ 3.50 (# 1011:20 Unique
2.35, 2.71 A)
&rst
ixpk= 1011, nxpk= 20, iat=1808, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1810,1811,
&end
#
# 121 TYR HD 121 TYR HB- 4.50 (# 1014:20 Unique
2.37, 3.08 A)
&rst
ixpk= 1014, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1814,1823,
igr2=1810,1811,
&end
#
# 121 TYR HA 121 TYR HB- 3.50 (# 1015:20 Unique
2.35, 2.71 A)
&rst
ixpk= 1015, nxpk= 20, iat=1808, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1810,1811,
&end
#
# 0 AMB 20-2:1017 0 AMB 20-1:1017 4.50 (# 1017:20 Double
Ambig)
&rst
ixpk= 1017, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1=2177, 405,
igr2=2182,2183,2136,2137,
&end
#
# 0 AMB 20-2:1018 0 AMB 20-1:1018 3.50 (# 1018:20 Double
Ambig)
&rst
ixpk= 1018, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4=
6.44,
igr1=2129,2347,2175,
igr2=2136,2137,2324,2325,2324,2325,2182,2183,
&end
#
# 0 AMB 20-2:1020 0 AMB 20-1:1020 3.50 (# 1020:20 Double
Ambig)
&rst
ixpk= 1020, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1061,1062,1107,1108,2279,
igr2=1058,1059,1058,1059,1058,1059,
&end
#
# 0 AMB 20-2:1022 74 ARG HB- 4.50 (# 1022:20 Single
Ambig)
&rst
ixpk= 1022, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1061,1062,1107,1108,2279,
igr2=1058,1059,
&end
#
# 8 VAL HN 8 VAL HB 4.50 (# 1023:20 Unique
2.70, 2.77 A)
&rst
ixpk= 1023, nxpk= 20, iat= 112, 116, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 20-2:1024 0 AMB 20-1:1024 2.80 (# 1024:20 Double
Ambig)
&rst
ixpk= 1024, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4=
5.19,
igr1= 118, 119, 120, 122, 123, 124,1573,1574,1575, 678,
679,
igr2= 116, 51,
&end
#
# 4 VAL HN 4 VAL HB 3.50 (# 1025:20 Unique
2.53, 2.73 A)
&rst
ixpk= 1025, nxpk= 20, iat= 47, 51, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 4 VAL MGY 4 VAL HB 2.80 (# 1026:20 Unique
2.38, 2.67 A)
&rst
ixpk= 1026, nxpk= 20, iat= -1, 51, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1= 53, 54, 55, 57, 58, 59,
&end
#
# 66 MET HA 66 MET HB+ 4.50 (# 1027:20 Unique
2.46, 2.77 A)
&rst
ixpk= 1027, nxpk= 20, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 946, 947,
&end
#
# 68 LEU HG 66 MET HB+ 4.50 (# 1029:20 Unique
2.24, 2.33 A)
&rst
ixpk= 1029, nxpk= 20, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 946, 947,
&end
#
# 0 AMB 20-2:1030 0 AMB 20-1:1030 3.50 (# 1030:20 Double
Ambig)
&rst
ixpk= 1030, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4=
8.14,
igr1=2281,2282,2283,2285,2286,2287, 975, 976, 977, 979,
980, 981, 975, 976, 977, 979, 980, 981,
igr2= 946, 947, 946, 947, 946, 947,
&end
#
# 151 LEU MDY 66 MET HB+ 3.50 (# 1031:20 Unique
2.20, 4.39 A)
&rst
ixpk= 1031, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1=2281,2282,2283,2285,2286,2287,
igr2= 946, 947,
&end
#
# 0 AMB 20-2:1033 66 MET HB- 3.50 (# 1033:20 Single
Ambig)
&rst
ixpk= 1033, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1=2281,2282,2283,2285,2286,2287, 975, 976, 977, 979,
980, 981, 975, 976, 977, 979, 980, 981,
igr2= 946, 947,
&end
#
# 100 GLN HE2- 100 GLN HG- 4.50 (# 1034:20 Unique
2.03, 3.45 A)
&rst
ixpk= 1034, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1487,1488,
igr2=1482,1483,
&end
#
# 100 GLN HA 100 GLN HG- 3.50 (# 1035:20 Unique
2.19, 3.11 A)
&rst
ixpk= 1035, nxpk= 20, iat=1477, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1482,1483,
&end
#
# 124 MET HN 124 MET HB+ 3.50 (# 1036:20 Unique
2.26, 2.53 A)
&rst
ixpk= 1036, nxpk= 20, iat=1862, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1866,1867,
&end
#
# 0 AMB 20-2:1037 0 AMB 20-1:1037 4.50 (# 1037:20 Double
Ambig)
&rst
ixpk= 1037, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4=
8.68,
igr1=1869,1870,1956,1957,1467,1468,
igr2=1866,1867,1866,1867,1482,1483,
&end
#
# 0 AMB 20-2:1038 0 AMB 20-1:1038 3.50 (# 1038:20 Double
Ambig)
&rst
ixpk= 1038, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4=
6.06,
igr1=1869,1870,1956,1957,
igr2=1866,1867,1866,1867,
&end
#
# 22 LEU MDX 61 VAL HB 4.50 (# 1041:20 Unique
2.17, 4.19 A)
&rst
ixpk= 1041, nxpk= 20, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1= 291, 292, 293, 295, 296, 297,
&end
#
# 61 VAL MGX 61 VAL HB 3.50 (# 1042:20 Unique
2.35, 2.66 A)
&rst
ixpk= 1042, nxpk= 20, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 884, 885, 886, 888, 889, 890,
&end
#
# 61 VAL MGY 61 VAL HB 3.50 (# 1043:20 Unique
2.35, 2.66 A)
&rst
ixpk= 1043, nxpk= 20, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 884, 885, 886, 888, 889, 890,
&end
#
# 124 MET HN 124 MET HB- 3.50 (# 1044:20 Unique
2.26, 2.53 A)
&rst
ixpk= 1044, nxpk= 20, iat=1862, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1866,1867,
&end
#
# 0 AMB 20-2:1045 124 MET HB- 3.50 (# 1045:20 Single
Ambig)
&rst
ixpk= 1045, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1=1869,1870,1956,1957,
igr2=1866,1867,
&end
#
# 0 AMB 20-2:1046 124 MET HB- 4.50 (# 1046:20 Single
Ambig)
&rst
ixpk= 1046, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1=1869,1870,1956,1957,
igr2=1866,1867,
&end
#
# 124 MET ME 124 MET HB- 3.50 (# 1048:20 Unique
2.22, 3.56 A)
&rst
ixpk= 1048, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1=1873,1874,1875,
igr2=1866,1867,
&end
#
# 151 LEU HN 150 GLN HG+ 4.50 (# 1049:20 Unique
3.24, 4.19 A)
&rst
ixpk= 1049, nxpk= 20, iat=2272, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=2262,2263,
&end
#
# 150 GLN HN 150 GLN HG+ 4.50 (# 1050:20 Unique
2.75, 4.32 A)
&rst
ixpk= 1050, nxpk= 20, iat=2255, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=2262,2263,
&end
#
# 150 GLN HE2- 150 GLN HG+ 3.50 (# 1051:20 Unique
2.29, 3.40 A)
&rst
ixpk= 1051, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=2267,2268,
igr2=2262,2263,
&end
#
# 150 GLN HA 150 GLN HG+ 3.50 (# 1052:20 Unique
2.21, 2.89 A)
&rst
ixpk= 1052, nxpk= 20, iat=2257, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=2262,2263,
&end
#
# 0 AMB 20-2:1053 0 AMB 20-1:1053 2.80 (# 1053:20 Double
Ambig)
&rst
ixpk= 1053, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4=
4.94,
igr1=2259,2260,2259,2260,
igr2=2262,2263,2262,2263,
&end
#
# 75 ILE HB 150 GLN HG+ 2.80 (# 1054:20 Unique
2.12, 2.99 A)
&rst
ixpk= 1054, nxpk= 20, iat=1082, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr2=2262,2263,
&end
#
# 0 AMB 20-2:1055 0 AMB 20-1:1055 4.50 (# 1055:20 Double
Ambig)
&rst
ixpk= 1055, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1088,1089,2249,2250,2251,
igr2=2262,2263,2262,2263,
&end
#
# 75 ILE QG2 150 GLN HG+ 2.80 (# 1056:20 Unique
2.23, 3.56 A)
&rst
ixpk= 1056, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1=1084,1085,1086,
igr2=2262,2263,
&end
#
# 0 AMB 20-2:1057 100 GLN HG- 3.50 (# 1057:20 Single
Ambig)
&rst
ixpk= 1057, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1475,1492,
igr2=1482,1483,
&end
#
# 118 VAL HA 118 VAL HB 3.50 (# 1058:20 Unique
2.55, 3.02 A)
&rst
ixpk= 1058, nxpk= 20, iat=1765,1767, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 20-2:1059 0 AMB 20-1:1059 4.50 (# 1059:20 Double
Ambig)
&rst
ixpk= 1059, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1=1475,1492,
igr2=1482,1483,1482,1483,
&end
#
# 100 GLN HA 100 GLN HG+ 3.50 (# 1060:20 Unique
2.19, 3.11 A)
&rst
ixpk= 1060, nxpk= 20, iat=1477, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1482,1483,
&end
#
# 0 AMB 20-2:1061 0 AMB 20-1:1061 3.50 (# 1061:20 Double
Ambig)
&rst
ixpk= 1061, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4=
6.06,
igr1=1905,1906,1905,1906,
igr2=1900,1901,1900,1901,
&end
#
# 118 VAL HN 118 VAL HB 3.50 (# 1062:20 Unique
1.95, 2.74 A)
&rst
ixpk= 1062, nxpk= 20, iat=1763,1767, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 20-2:1063 0 AMB 20-1:1063 2.80 (# 1063:20 Double
Ambig)
&rst
ixpk= 1063, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1= 985,1601,
igr2=1708,1709,1605,
&end
#
# 0 AMB 20-2:1064 0 AMB 20-1:1064 3.50 (# 1064:20 Double
Ambig)
&rst
ixpk= 1064, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1= 799, 37,
igr2= 801, 802, 801, 802,
&end
#
# 108 VAL HA 108 VAL HB 3.50 (# 1065:20 Unique
2.25, 3.01 A)
&rst
ixpk= 1065, nxpk= 20, iat=1603,1605, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 20-2:1066 0 AMB 20-1:1066 3.50 (# 1066:20 Double
Ambig)
&rst
ixpk= 1066, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4=
6.06,
igr1= 804, 805, 804, 805,
igr2= 801, 802, 801, 802,
&end
#
# 0 AMB 20-2:1067 108 VAL HB 2.80 (# 1067:20 Single
Ambig)
&rst
ixpk= 1067, nxpk= 20, iat= -1,1605, r1= 1.30, r2= 1.80, r3= 4.24, r4=
4.74,
igr1=1607,1608,1609,1611,1612,1613,1607,1608,1609,1611,
1612,1613,
&end
#
# 105 ILE QG2 108 VAL HB 4.50 (# 1068:20 Unique
2.48, 5.51 A)
&rst
ixpk= 1068, nxpk= 20, iat= -1,1605, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1=1566,1567,1568,
&end
#
# 0 AMB 20-2:1069 57 ARG HB- 3.50 (# 1069:20 Single
Ambig)
&rst
ixpk= 1069, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1= 804, 805, 804, 805,
igr2= 801, 802,
&end
#
# 0 AMB 20-2:1070 57 ARG HB- 3.50 (# 1070:20 Single
Ambig)
&rst
ixpk= 1070, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 799, 37,
igr2= 801, 802,
&end
#
# 137 GLN HA 137 GLN HG+ 4.50 (# 1071:20 Unique
3.07, 3.78 A)
&rst
ixpk= 1071, nxpk= 20, iat=2071, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=2076,2077,
&end
#
# 0 AMB 20-2:1072 0 AMB 20-1:1072 3.50 (# 1072:20 Double
Ambig)
&rst
ixpk= 1072, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1=2069,2081,2082,
igr2=2076,2077,2076,2077,
&end
#
# 0 AMB 20-2:1074 0 AMB 20-1:1074 3.50 (# 1074:20 Double
Ambig)
&rst
ixpk= 1074, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4=
6.06,
igr1=2073,2074,2010,2011,
igr2=2076,2077,2076,2077,
&end
#
# 137 GLN HB- 137 GLN HG+ 2.80 (# 1075:20 Unique
2.39, 2.74 A)
&rst
ixpk= 1075, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1=2073,2074,
igr2=2076,2077,
&end
#
# 0 AMB 20-2:1076 137 GLN HG- 3.50 (# 1076:20 Single
Ambig)
&rst
ixpk= 1076, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1=2069,2081,2082,
igr2=2076,2077,
&end
#
# 137 GLN HA 137 GLN HG- 4.50 (# 1077:20 Unique
3.07, 3.78 A)
&rst
ixpk= 1077, nxpk= 20, iat=2071, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=2076,2077,
&end
#
# 0 AMB 20-2:1079 137 GLN HG- 2.80 (# 1079:20 Single
Ambig)
&rst
ixpk= 1079, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4=
4.46,
igr1=2073,2074,2010,2011,
igr2=2076,2077,
&end
#
# 137 GLN HB- 137 GLN HG- 2.80 (# 1080:20 Unique
2.39, 2.74 A)
&rst
ixpk= 1080, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1=2073,2074,
igr2=2076,2077,
&end
#
# 31 LYS HN 30 PRO HB+ 4.50 (# 1081:20 Unique
2.78, 3.52 A)
&rst
ixpk= 1081, nxpk= 20, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 396, 397,
&end
#
# 30 PRO HA 30 PRO HB+ 2.80 (# 1082:20 Unique
2.26, 2.52 A)
&rst
ixpk= 1082, nxpk= 20, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr2= 396, 397,
&end
#
# 126 GLN HE2- 0 AMB 20-1:1083 3.50 (# 1083:20 Single
Ambig)
&rst
ixpk= 1083, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1=1905,1906,
igr2=1900,1901,1900,1901,
&end
#
# 0 AMB 20-2:1084 0 AMB 20-1:1084 3.50 (# 1084:20 Double
Ambig)
&rst
ixpk= 1084, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1895,1911,1912,
igr2=1900,1901,1900,1901,1900,1901,
&end
#
# 31 LYS HN 30 PRO HB- 4.50 (# 1085:20 Unique
2.78, 3.52 A)
&rst
ixpk= 1085, nxpk= 20, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 396, 397,
&end
#
# 30 PRO HA 30 PRO HB- 2.80 (# 1086:20 Unique
2.26, 2.52 A)
&rst
ixpk= 1086, nxpk= 20, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr2= 396, 397,
&end
#
# 0 AMB 20-2:1088 0 AMB 20-1:1088 4.50 (# 1088:20 Double
Ambig)
&rst
ixpk= 1088, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=2190,1617,
igr2=2179,2180,1605,
&end
#
# 84 MET HN 84 MET HB+ 3.50 (# 1089:20 Unique
2.40, 3.04 A)
&rst
ixpk= 1089, nxpk= 20, iat=1210, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1214,1215,
&end
#
# 84 MET HA 84 MET HB+ 3.50 (# 1090:20 Unique
2.45, 2.78 A)
&rst
ixpk= 1090, nxpk= 20, iat=1212, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1214,1215,
&end
#
# 84 MET HN 84 MET HB- 4.50 (# 1091:20 Unique
2.40, 3.04 A)
&rst
ixpk= 1091, nxpk= 20, iat=1210, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1214,1215,
&end
#
# 84 MET HA 84 MET HB- 3.50 (# 1092:20 Unique
2.45, 2.78 A)
&rst
ixpk= 1092, nxpk= 20, iat=1212, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1214,1215,
&end
#
# 143 GLU HN 143 GLU HB- 3.50 (# 1093:20 Unique
2.77, 3.31 A)
&rst
ixpk= 1093, nxpk= 20, iat=2175, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=2179,2180,
&end
#
# 143 GLU HA 143 GLU HB- 3.50 (# 1094:20 Unique
2.44, 2.78 A)
&rst
ixpk= 1094, nxpk= 20, iat=2177, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=2179,2180,
&end
#
# 12 MET HN 12 MET HG+ 4.50 (# 1095:20 Unique
1.94, 2.33 A)
&rst
ixpk= 1095, nxpk= 20, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 167, 168,
&end
#
# 0 AMB 20-2:1096 0 AMB 20-1:1096 3.50 (# 1096:20 Double
Ambig)
&rst
ixpk= 1096, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1=1266, 162,
igr2=1271,1272, 167, 168,
&end
#
# 12 MET HB+ 12 MET HG+ 2.80 (# 1097:20 Unique
2.33, 2.76 A)
&rst
ixpk= 1097, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1= 164, 165,
igr2= 167, 168,
&end
#
# 107 GLU HN 107 GLU HB+ 4.50 (# 1100:20 Unique
2.49, 2.99 A)
&rst
ixpk= 1100, nxpk= 20, iat=1586, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1590,1591,
&end
#
# 0 AMB 20-2:1101 0 AMB 20-1:1101 2.80 (# 1101:20 Double
Ambig)
&rst
ixpk= 1101, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4=
5.03,
igr1=1266,1588, 162,
igr2=1268,1269,1590,1591, 164, 165,
&end
#
# 0 AMB 20-2:1102 0 AMB 20-1:1102 2.80 (# 1102:20 Double
Ambig)
&rst
ixpk= 1102, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4=
5.59,
igr1=1394,1395, 167, 168,1271,1272,
igr2=1135,1136, 164, 165,1268,1269,
&end
#
# 0 AMB 20-2:1103 0 AMB 20-1:1103 2.80 (# 1103:20 Double
Ambig)
&rst
ixpk= 1103, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4=
4.94,
igr1= 167, 168,1271,1272,
igr2= 164, 165,1268,1269,
&end
#
# 0 AMB 20-2:1104 0 AMB 20-1:1104 3.50 (# 1104:20 Double
Ambig)
&rst
ixpk= 1104, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1=1247,1281,
igr2=1251,1252,1268,1269,
&end
#
# 87 MET HA 87 MET HB- 3.50 (# 1106:20 Unique
2.27, 2.74 A)
&rst
ixpk= 1106, nxpk= 20, iat=1266, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1268,1269,
&end
#
# 36 VAL HN 36 VAL HB 2.80 (# 1107:20 Unique
2.50, 2.58 A)
&rst
ixpk= 1107, nxpk= 20, iat= 486, 490, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 153 VAL HN 153 VAL HB 3.50 (# 1108:20 Unique
2.26, 2.66 A)
&rst
ixpk= 1108, nxpk= 20, iat=2301,2305, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 20-2:1109 0 AMB 20-1:1109 2.80 (# 1109:20 Double
Ambig)
&rst
ixpk= 1109, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4=
4.54,
igr1=1138,2303,1392,
igr2=1135,1136,2305,
&end
#
# 0 AMB 20-2:1110 153 VAL HB 2.80 (# 1110:20 Single
Ambig)
&rst
ixpk= 1110, nxpk= 20, iat= -1,2305, r1= 1.30, r2= 1.80, r3= 4.24, r4=
4.74,
igr1=2307,2308,2309,2311,2312,2313,2307,2308,2309,2311,
2312,2313,
&end
#
# 102 LYS HN 102 LYS HB+ 2.80 (# 1111:20 Unique
1.95, 2.57 A)
&rst
ixpk= 1111, nxpk= 20, iat=1511, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr2=1515,1516,
&end
#
# 70 PRO HA 70 PRO HB+ 2.80 (# 1112:20 Unique
2.23, 2.53 A)
&rst
ixpk= 1112, nxpk= 20, iat=1009, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr2=1006,1007,
&end
#
# 107 GLU HN 107 GLU HB- 4.50 (# 1113:20 Unique
2.49, 2.99 A)
&rst
ixpk= 1113, nxpk= 20, iat=1586, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1590,1591,
&end
#
# 0 AMB 20-2:1115 0 AMB 20-1:1115 3.50 (# 1115:20 Double
Ambig)
&rst
ixpk= 1115, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4=
6.44,
igr1= 217, 218,1956,1957, 167, 168,
igr2= 181, 182,1947,1948,
&end
#
# 70 PRO HA 70 PRO HB- 4.50 (# 1117:20 Unique
2.23, 2.53 A)
&rst
ixpk= 1117, nxpk= 20, iat=1009, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1006,1007,
&end
#
# 0 AMB 20-2:1118 70 PRO HB- 2.80 (# 1118:20 Single
Ambig)
&rst
ixpk= 1118, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4=
4.46,
igr1=1003,1004,1914,1915,
igr2=1006,1007,
&end
#
# 128 ILE QD1 70 PRO HB- 4.50 (# 1119:20 Unique
2.34, 2.95 A)
&rst
ixpk= 1119, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1937,1938,1939,
igr2=1006,1007,
&end
#
# 0 AMB 20-2:1121 0 AMB 20-1:1121 4.50 (# 1121:20 Double
Ambig)
&rst
ixpk= 1121, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1=1247,1281,
igr2=1251,1252,1271,1272,
&end
#
# 86 MET HA 86 MET HB- 3.50 (# 1122:20 Unique
2.26, 2.41 A)
&rst
ixpk= 1122, nxpk= 20, iat=1249, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1251,1252,
&end
#
# 84 MET HN 84 MET HG+ 4.50 (# 1124:20 Unique
2.06, 2.83 A)
&rst
ixpk= 1124, nxpk= 20, iat=1210, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1217,1218,
&end
#
# 84 MET HA 84 MET HG+ 4.50 (# 1125:20 Unique
2.75, 3.28 A)
&rst
ixpk= 1125, nxpk= 20, iat=1212, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1217,1218,
&end
#
# 0 AMB 20-2:1126 0 AMB 20-1:1126 2.80 (# 1126:20 Double
Ambig)
&rst
ixpk= 1126, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4=
4.94,
igr1=1214,1215,1214,1215,
igr2=1217,1218,1217,1218,
&end
#
# 84 MET HN 84 MET HG- 4.50 (# 1127:20 Unique
2.06, 2.83 A)
&rst
ixpk= 1127, nxpk= 20, iat=1210, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1217,1218,
&end
#
# 118 VAL MGY 13 MET HB+ 4.50 (# 1129:20 Unique
3.03, 5.60 A)
&rst
ixpk= 1129, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1=1769,1770,1771,1773,1774,1775,
igr2= 181, 182,
&end
#
# 35 VAL HN 35 VAL HB 3.50 (# 1130:20 Unique
2.44, 2.60 A)
&rst
ixpk= 1130, nxpk= 20, iat= 470, 474, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 4 VAL HA 35 VAL HB 3.50 (# 1131:20 Unique
2.50, 2.81 A)
&rst
ixpk= 1131, nxpk= 20, iat= 49, 474, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 20-2:1132 0 AMB 20-1:1132 2.80 (# 1132:20 Double
Ambig)
&rst
ixpk= 1132, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4=
4.46,
igr1=1138,1392,
igr2=1135,1136,1135,1136,
&end
#
# 0 AMB 20-2:1133 0 AMB 20-1:1133 3.50 (# 1133:20 Double
Ambig)
&rst
ixpk= 1133, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4=
6.06,
igr1=1129,1130,1581,1582,
igr2=1135,1136,1590,1591,
&end
#
# 0 AMB 20-2:1134 0 AMB 20-1:1134 2.80 (# 1134:20 Double
Ambig)
&rst
ixpk= 1134, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4=
5.35,
igr1= 476, 477, 478, 480, 481, 482,1630,1631,1632,
igr2= 474,1590,1591,
&end
#
# 0 AMB 20-2:1135 35 VAL HB 2.80 (# 1135:20 Single
Ambig)
&rst
ixpk= 1135, nxpk= 20, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 4.53, r4=
5.03,
igr1= 53, 54, 55, 57, 58, 59, 476, 477, 478, 480,
481, 482, 735, 736, 737, 739, 740, 741,
&end
#
# 78 PRO HD+ 78 PRO HB- 3.50 (# 1136:20 Unique
2.80, 3.68 A)
&rst
ixpk= 1136, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1129,1130,
igr2=1135,1136,
&end
#
# 0 AMB 20-2:1137 0 AMB 20-1:1137 3.50 (# 1137:20 Double
Ambig)
&rst
ixpk= 1137, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1=1513, 153, 154,
igr2=1515,1516, 164, 165,
&end
#
# 0 AMB 20-2:1138 0 AMB 20-1:1138 4.50 (# 1138:20 Double
Ambig)
&rst
ixpk= 1138, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1=1943,1399,1400,
igr2=1947,1948,1364,1365,
&end
#
# 0 AMB 20-2:1139 0 AMB 20-1:1139 3.50 (# 1139:20 Double
Ambig)
&rst
ixpk= 1139, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4=
6.06,
igr1=1950,1951,1950,1951,
igr2=1947,1948,1947,1948,
&end
#
# 102 LYS HN 102 LYS HB- 3.50 (# 1140:20 Unique
1.95, 2.57 A)
&rst
ixpk= 1140, nxpk= 20, iat=1511, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1515,1516,
&end
#
# 102 LYS HA 102 LYS HB- 3.50 (# 1141:20 Unique
2.19, 2.60 A)
&rst
ixpk= 1141, nxpk= 20, iat=1513, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1515,1516,
&end
#
# 129 LYS HA 129 LYS HB- 3.50 (# 1142:20 Unique
2.44, 2.82 A)
&rst
ixpk= 1142, nxpk= 20, iat=1945, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1947,1948,
&end
#
# 129 LYS HG+ 129 LYS HB- 3.50 (# 1143:20 Unique
2.43, 2.76 A)
&rst
ixpk= 1143, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1950,1951,
igr2=1947,1948,
&end
#
# 0 AMB 20-2:1144 0 AMB 20-1:1144 3.50 (# 1144:20 Double
Ambig)
&rst
ixpk= 1144, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4=
7.35,
igr1= 53, 54, 55, 57, 58, 59,1570,1571, 272, 273,
274, 276, 277, 278,
igr2= 776, 777,1947,1948,
&end
#
# 13 MET HN 13 MET HB- 3.50 (# 1145:20 Unique
2.27, 2.73 A)
&rst
ixpk= 1145, nxpk= 20, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2= 181, 182,
&end
#
# 13 MET HA 13 MET HB- 4.50 (# 1146:20 Unique
2.48, 2.79 A)
&rst
ixpk= 1146, nxpk= 20, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 181, 182,
&end
#
# 0 AMB 20-2:1147 25 LYS HB- 3.50 (# 1147:20 Single
Ambig)
&rst
ixpk= 1147, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 328, 284,
igr2= 330, 331,
&end
#
# 25 LYS HG+ 25 LYS HB- 2.80 (# 1149:20 Unique
2.36, 2.75 A)
&rst
ixpk= 1149, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1= 333, 334,
igr2= 330, 331,
&end
#
# 0 AMB 20-2:1151 0 AMB 20-1:1151 3.50 (# 1151:20 Double
Ambig)
&rst
ixpk= 1151, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1= 328, 284,
igr2= 330, 331, 330, 331,
&end
#
# 25 LYS HG+ 25 LYS HB+ 3.50 (# 1153:20 Unique
2.36, 2.75 A)
&rst
ixpk= 1153, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 333, 334,
igr2= 330, 331,
&end
#
# 0 AMB 20-2:1155 0 AMB 20-1:1155 4.50 (# 1155:20 Double
Ambig)
&rst
ixpk= 1155, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.82,
r4=10.32,
igr1=2281,2282,2283,2285,2286,2287, 975, 976, 977, 979,
980, 981, 975, 976, 977, 979, 980, 981,
igr2= 949, 950, 949, 950, 949, 950,
&end
#
# 66 MET HA 66 MET HG+ 4.50 (# 1156:20 Unique
2.32, 2.81 A)
&rst
ixpk= 1156, nxpk= 20, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 949, 950,
&end
#
# 64 THR MG2 66 MET HG+ 3.50 (# 1157:20 Unique
3.19, 4.52 A)
&rst
ixpk= 1157, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 922, 923, 924,
igr2= 949, 950,
&end
#
# 93 PRO HA 93 PRO HB+ 2.80 (# 1158:20 Unique
2.30, 2.54 A)
&rst
ixpk= 1158, nxpk= 20, iat=1367, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr2=1364,1365,
&end
#
# 123 PRO HA 123 PRO HB+ 2.80 (# 1160:20 Unique
2.32, 2.52 A)
&rst
ixpk= 1160, nxpk= 20, iat=1858, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr2=1855,1856,
&end
#
# 124 MET HN 123 PRO HB+ 4.50 (# 1162:20 Unique
2.92, 3.49 A)
&rst
ixpk= 1162, nxpk= 20, iat=1862, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1855,1856,
&end
#
# 136 TYR HN 135 VAL HB 4.50 (# 1163:20 Unique
2.51, 3.22 A)
&rst
ixpk= 1163, nxpk= 20, iat=2048,2036, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 132 VAL HA 135 VAL HB 4.50 (# 1164:20 Unique
2.65, 3.39 A)
&rst
ixpk= 1164, nxpk= 20, iat=1989,2036, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 135 VAL HN 135 VAL HB 3.50 (# 1165:20 Unique
2.17, 2.46 A)
&rst
ixpk= 1165, nxpk= 20, iat=2032,2036, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 20-2:1167 0 AMB 20-1:1167 2.80 (# 1167:20 Double
Ambig)
&rst
ixpk= 1167, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4=
4.46,
igr1= 779, 944,
igr2= 776, 777, 949, 950,
&end
#
# 0 AMB 20-2:1168 0 AMB 20-1:1168 2.80 (# 1168:20 Double
Ambig)
&rst
ixpk= 1168, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4=
6.18,
igr1= 53, 54, 55, 57, 58, 59,1570,1571, 648, 649,
650, 652, 653, 654,
igr2= 776, 777, 776, 777, 646,
&end
#
# 0 AMB 20-2:1169 0 AMB 20-1:1169 4.50 (# 1169:20 Double
Ambig)
&rst
ixpk= 1169, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4=
8.68,
igr1= 535, 536, 535, 536, 569, 570,
igr2= 575, 576, 575, 576, 575, 576,
&end
#
# 0 AMB 20-2:1170 0 AMB 20-1:1170 2.80 (# 1170:20 Double
Ambig)
&rst
ixpk= 1170, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4=
6.21,
igr1= 118, 119, 120, 122, 123, 124,1434,1435,1436,1438,
1439,1440,
igr2= 575, 576, 575, 576, 575, 576,
&end
#
# 43 PRO HA 0 AMB 20-1:1171 3.50 (# 1171:20 Single
Ambig)
&rst
ixpk= 1171, nxpk= 20, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr2= 575, 576, 575, 576,
&end
#
# 15 ASP HA 124 MET HG- 3.50 (# 1173:20 Unique
1.97, 2.80 A)
&rst
ixpk= 1173, nxpk= 20, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1869,1870,
&end
#
# 124 MET HB+ 124 MET HG- 3.50 (# 1176:20 Unique
2.45, 2.76 A)
&rst
ixpk= 1176, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1866,1867,
igr2=1869,1870,
&end
#
# 124 MET ME 124 MET HG- 4.50 (# 1177:20 Unique
2.57, 3.74 A)
&rst
ixpk= 1177, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1873,1874,1875,
igr2=1869,1870,
&end
#
# 0 AMB 20-2:1178 124 MET HG- 4.50 (# 1178:20 Single
Ambig)
&rst
ixpk= 1178, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1=1866,1867,1934,1935,
igr2=1869,1870,
&end
#
# 128 ILE QG2 124 MET HG- 4.50 (# 1179:20 Unique
2.66, 3.65 A)
&rst
ixpk= 1179, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1930,1931,1932,
igr2=1869,1870,
&end
#
# 124 MET HB- 124 MET HG+ 3.50 (# 1181:20 Unique
2.45, 2.76 A)
&rst
ixpk= 1181, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1866,1867,
igr2=1869,1870,
&end
#
# 0 AMB 20-2:1182 0 AMB 20-1:1182 3.50 (# 1182:20 Double
Ambig)
&rst
ixpk= 1182, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4=
6.06,
igr1=1950,1951,1950,1951,
igr2=1869,1870,1869,1870,
&end
#
# 128 ILE QG2 124 MET HG+ 4.50 (# 1183:20 Unique
2.66, 3.65 A)
&rst
ixpk= 1183, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1930,1931,1932,
igr2=1869,1870,
&end
#
# 20 PRO HA 20 PRO HB+ 3.50 (# 1184:20 Unique
2.35, 2.70 A)
&rst
ixpk= 1184, nxpk= 20, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2= 256, 257,
&end
#
# 132 VAL HN 132 VAL HB 3.50 (# 1186:20 Unique
2.20, 2.28 A)
&rst
ixpk= 1186, nxpk= 20, iat=1987,1991, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 133 GLU HN 132 VAL HB 4.50 (# 1187:20 Unique
2.52, 2.64 A)
&rst
ixpk= 1187, nxpk= 20, iat=2003,1991, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 20-2:1188 132 VAL HB 4.50 (# 1188:20 Single
Ambig)
&rst
ixpk= 1188, nxpk= 20, iat= -1,1991, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1945, 234,
&end
#
# 132 VAL HA 132 VAL HB 4.50 (# 1189:20 Unique
3.04, 3.04 A)
&rst
ixpk= 1189, nxpk= 20, iat=1989,1991, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 132 VAL MGY 132 VAL HB 3.50 (# 1190:20 Unique
2.36, 2.68 A)
&rst
ixpk= 1190, nxpk= 20, iat= -1,1991, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1=1993,1994,1995,1997,1998,1999,
&end
#
# 48 VAL HN 48 VAL HB 2.80 (# 1191:20 Unique
2.48, 2.58 A)
&rst
ixpk= 1191, nxpk= 20, iat= 642, 646, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 49 ALA HN 48 VAL HB 3.50 (# 1192:20 Unique
2.69, 2.76 A)
&rst
ixpk= 1192, nxpk= 20, iat= 658, 646, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 20-2:1193 0 AMB 20-1:1193 3.50 (# 1193:20 Double
Ambig)
&rst
ixpk= 1193, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 644, 23,
igr2= 646, 776, 777,
&end
#
# 49 ALA MB 48 VAL HB 5.50 (# 1194:20 Unique
4.20, 5.06 A)
&rst
ixpk= 1194, nxpk= 20, iat= -1, 646, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1= 662, 663, 664,
&end
#
# 0 AMB 20-2:1195 0 AMB 20-1:1195 2.80 (# 1195:20 Double
Ambig)
&rst
ixpk= 1195, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4=
4.94,
igr1=2354,2355,2354,2355,
igr2=2351,2352,2351,2352,
&end
#
# 20 PRO HA 20 PRO HB- 4.50 (# 1196:20 Unique
2.35, 2.70 A)
&rst
ixpk= 1196, nxpk= 20, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 256, 257,
&end
#
# 138 ARG HN 0 AMB 20-1:1198 2.80 (# 1198:20 Single
Ambig)
&rst
ixpk= 1198, nxpk= 20, iat=2086, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr2=2090,2091,2090,2091,
&end
#
# 0 AMB 20-2:1199 0 AMB 20-1:1199 4.50 (# 1199:20 Double
Ambig)
&rst
ixpk= 1199, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1=2110,2233,2241,
igr2=2090,2091,2090,2091,
&end
#
# 138 ARG HA 0 AMB 20-1:1200 3.50 (# 1200:20 Single
Ambig)
&rst
ixpk= 1200, nxpk= 20, iat=2088, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr2=2090,2091,2090,2091,
&end
#
# 138 ARG HG- 0 AMB 20-1:1201 2.80 (# 1201:20 Single
Ambig)
&rst
ixpk= 1201, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4=
4.46,
igr1=2093,2094,
igr2=2090,2091,2090,2091,
&end
#
# 0 AMB 20-2:1202 0 AMB 20-1:1202 2.80 (# 1202:20 Double
Ambig)
&rst
ixpk= 1202, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4=
6.10,
igr1=2324,2325,2324,2325,2339,2340,2339,2340,
igr2=2321,2322,2321,2322,2336,2337,2336,2337,
&end
#
# 154 GLU HA 154 GLU HB+ 2.80 (# 1203:20 Unique
2.36, 2.64 A)
&rst
ixpk= 1203, nxpk= 20, iat=2319, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr2=2321,2322,
&end
#
# 72 GLU HN 72 GLU HB+ 5.50 (# 1204:20 Unique
2.24, 2.92 A)
&rst
ixpk= 1204, nxpk= 20, iat=1020, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1024,1025,
&end
#
# 0 AMB 20-2:1205 0 AMB 20-1:1205 2.80 (# 1205:20 Double
Ambig)
&rst
ixpk= 1205, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4=
4.46,
igr1=2317,2332,
igr2=2321,2322,2336,2337,
&end
#
# 154 GLU HA 154 GLU HB- 3.50 (# 1206:20 Unique
2.36, 2.64 A)
&rst
ixpk= 1206, nxpk= 20, iat=2319, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=2321,2322,
&end
#
# 0 AMB 20-2:1207 0 AMB 20-1:1207 2.80 (# 1207:20 Double
Ambig)
&rst
ixpk= 1207, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4=
5.49,
igr1=2324,2325,2324,2325,2339,2340,2339,2340,
igr2=2321,2322,2336,2337,
&end
#
# 128 ILE QD1 127 PRO HB+ 3.50 (# 1208:20 Unique
2.27, 4.23 A)
&rst
ixpk= 1208, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1=1937,1938,1939,
igr2=1917,1918,
&end
#
# 127 PRO HA 127 PRO HB+ 3.50 (# 1209:20 Unique
2.25, 2.54 A)
&rst
ixpk= 1209, nxpk= 20, iat=1920, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1917,1918,
&end
#
# 0 AMB 20-2:1211 0 AMB 20-1:1211 3.50 (# 1211:20 Double
Ambig)
&rst
ixpk= 1211, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1=2255,2317,
igr2=2259,2260,2321,2322,
&end
#
# 140 GLU HN 140 GLU HB- 2.80 (# 1213:20 Unique
1.95, 2.97 A)
&rst
ixpk= 1213, nxpk= 20, iat=2129, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr2=2133,2134,
&end
#
# 48 VAL HA 0 AMB 20-1:1214 3.50 (# 1214:20 Single
Ambig)
&rst
ixpk= 1214, nxpk= 20, iat= 644, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr2= 691, 692, 691, 692,
&end
#
# 51 ARG HA 0 AMB 20-1:1215 2.80 (# 1215:20 Single
Ambig)
&rst
ixpk= 1215, nxpk= 20, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr2= 691, 692, 691, 692,
&end
#
# 0 AMB 20-2:1216 0 AMB 20-1:1216 3.50 (# 1216:20 Double
Ambig)
&rst
ixpk= 1216, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1= 697, 698, 697, 698, 697, 698,
igr2= 691, 692, 691, 692, 691, 692,
&end
#
# 47 ILE HN 47 ILE HG1- 4.50 (# 1217:20 Unique
2.23, 3.00 A)
&rst
ixpk= 1217, nxpk= 20, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 633, 634,
&end
#
# 44 GLU HA 47 ILE HG1- 3.50 (# 1218:20 Unique
2.23, 3.03 A)
&rst
ixpk= 1218, nxpk= 20, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2= 633, 634,
&end
#
# 47 ILE HA 47 ILE HG1- 4.50 (# 1219:20 Unique
2.45, 2.60 A)
&rst
ixpk= 1219, nxpk= 20, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 633, 634,
&end
#
# 97 LEU MDX 47 ILE HG1- 3.50 (# 1221:20 Unique
2.16, 4.41 A)
&rst
ixpk= 1221, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1=1434,1435,1436,1438,1439,1440,
igr2= 633, 634,
&end
#
# 127 PRO HA 127 PRO HB- 3.50 (# 1222:20 Unique
2.25, 2.54 A)
&rst
ixpk= 1222, nxpk= 20, iat=1920, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1917,1918,
&end
#
# 0 AMB 20-2:1224 127 PRO HB- 3.50 (# 1224:20 Single
Ambig)
&rst
ixpk= 1224, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1=1914,1915,1003,1004,
igr2=1917,1918,
&end
#
# 0 AMB 20-2:1225 127 PRO HB- 4.50 (# 1225:20 Single
Ambig)
&rst
ixpk= 1225, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1=1006,1007,1914,1915,
igr2=1917,1918,
&end
#
# 128 ILE QD1 127 PRO HB- 3.50 (# 1226:20 Unique
2.27, 4.23 A)
&rst
ixpk= 1226, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1=1937,1938,1939,
igr2=1917,1918,
&end
#
# 47 ILE HA 47 ILE HG1+ 4.50 (# 1227:20 Unique
2.45, 2.60 A)
&rst
ixpk= 1227, nxpk= 20, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 633, 634,
&end
#
# 97 LEU MDX 47 ILE HG1+ 3.50 (# 1230:20 Unique
2.16, 4.41 A)
&rst
ixpk= 1230, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1=1434,1435,1436,1438,1439,1440,
igr2= 633, 634,
&end
#
# 50 ILE HN 50 ILE HG1+ 4.50 (# 1231:20 Unique
1.97, 2.80 A)
&rst
ixpk= 1231, nxpk= 20, iat= 668, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 678, 679,
&end
#
# 0 AMB 20-2:1232 0 AMB 20-1:1232 4.50 (# 1232:20 Double
Ambig)
&rst
ixpk= 1232, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1= 670, 625,
igr2= 678, 679, 678, 679,
&end
#
# 142 TRP HN 142 TRP HB+ 3.50 (# 1235:20 Unique
2.10, 2.60 A)
&rst
ixpk= 1235, nxpk= 20, iat=2151, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=2155,2156,
&end
#
# 0 AMB 20-2:1236 0 AMB 20-1:1236 4.50 (# 1236:20 Double
Ambig)
&rst
ixpk= 1236, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1= 459,2159,
igr2=2155,2156,2155,2156,
&end
#
# 142 TRP HN 142 TRP HB- 3.50 (# 1239:20 Unique
2.10, 2.60 A)
&rst
ixpk= 1239, nxpk= 20, iat=2151, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=2155,2156,
&end
#
# 0 AMB 20-2:1240 142 TRP HB- 3.50 (# 1240:20 Single
Ambig)
&rst
ixpk= 1240, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 459,2159,
igr2=2155,2156,
&end
#
# 90 HIS HA 90 HIS HB+ 4.50 (# 1243:20 Unique
2.40, 2.70 A)
&rst
ixpk= 1243, nxpk= 20, iat=1311, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1313,1314,
&end
#
# 90 HIS HA 90 HIS HB- 3.50 (# 1245:20 Unique
2.40, 2.70 A)
&rst
ixpk= 1245, nxpk= 20, iat=1311, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1313,1314,
&end
#
# 34 TRP HA 34 TRP HB+ 4.50 (# 1247:20 Unique
2.30, 2.69 A)
&rst
ixpk= 1247, nxpk= 20, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 450, 451,
&end
#
# 36 VAL MGY 34 TRP HB+ 4.50 (# 1249:20 Unique
4.02, 6.83 A)
&rst
ixpk= 1249, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1= 492, 493, 494, 496, 497, 498,
igr2= 450, 451,
&end
#
# 34 TRP HN 34 TRP HB- 4.50 (# 1250:20 Unique
2.48, 3.13 A)
&rst
ixpk= 1250, nxpk= 20, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 450, 451,
&end
#
# 36 VAL MGY 34 TRP HB- 4.50 (# 1252:20 Unique
4.02, 6.83 A)
&rst
ixpk= 1252, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1= 492, 493, 494, 496, 497, 498,
igr2= 450, 451,
&end
#
# 7 CYS HN 7 CYS HB+ 4.50 (# 1253:20 Unique
2.17, 3.01 A)
&rst
ixpk= 1253, nxpk= 20, iat= 101, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 105, 106,
&end
#
# 7 CYS HA 7 CYS HB+ 3.50 (# 1254:20 Unique
2.23, 2.74 A)
&rst
ixpk= 1254, nxpk= 20, iat= 103, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2= 105, 106,
&end
#
# 23 ALA MB 7 CYS HB+ 3.50 (# 1256:20 Unique
2.21, 3.42 A)
&rst
ixpk= 1256, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 305, 306, 307,
igr2= 105, 106,
&end
#
# 7 CYS HA 7 CYS HB- 3.50 (# 1257:20 Unique
2.23, 2.74 A)
&rst
ixpk= 1257, nxpk= 20, iat= 103, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2= 105, 106,
&end
#
# 25 LYS HN 0 AMB 20-1:1259 3.50 (# 1259:20 Single
Ambig)
&rst
ixpk= 1259, nxpk= 20, iat= 326, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr2= 315, 316, 315, 316,
&end
#
# 24 GLU HN 0 AMB 20-1:1260 2.80 (# 1260:20 Single
Ambig)
&rst
ixpk= 1260, nxpk= 20, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr2= 315, 316, 315, 316,
&end
#
# 21 LEU HA 0 AMB 20-1:1261 2.80 (# 1261:20 Single
Ambig)
&rst
ixpk= 1261, nxpk= 20, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr2= 315, 316, 315, 316,
&end
#
# 24 GLU HA 0 AMB 20-1:1262 2.80 (# 1262:20 Single
Ambig)
&rst
ixpk= 1262, nxpk= 20, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr2= 315, 316, 315, 316,
&end
#
# 0 AMB 20-2:1263 0 AMB 20-1:1263 2.80 (# 1263:20 Double
Ambig)
&rst
ixpk= 1263, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4=
5.26,
igr1= 333, 334, 330, 331,
igr2= 315, 316, 315, 316, 315, 316,
&end
#
# 21 LEU MDY 0 AMB 20-1:1264 2.80 (# 1264:20 Single
Ambig)
&rst
ixpk= 1264, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4=
5.26,
igr1= 272, 273, 274, 276, 277, 278,
igr2= 315, 316, 315, 316,
&end
#
# 140 GLU HN 140 GLU HB+ 2.80 (# 1265:20 Unique
1.95, 2.97 A)
&rst
ixpk= 1265, nxpk= 20, iat=2129, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr2=2133,2134,
&end
#
# 53 LEU HN 0 AMB 20-1:1266 3.50 (# 1266:20 Single
Ambig)
&rst
ixpk= 1266, nxpk= 20, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr2= 715, 716, 715, 716,
&end
#
# 83 GLU HN 83 GLU HB+ 2.80 (# 1267:20 Unique
2.47, 3.01 A)
&rst
ixpk= 1267, nxpk= 20, iat=1195, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr2=1199,1200,
&end
#
# 0 AMB 20-2:1268 0 AMB 20-1:1268 2.80 (# 1268:20 Double
Ambig)
&rst
ixpk= 1268, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4=
4.74,
igr1= 713, 660,
igr2= 715, 716, 715, 716, 715, 716,
&end
#
# 72 GLU HG- 0 AMB 20-1:1269 3.50 (# 1269:20 Single
Ambig)
&rst
ixpk= 1269, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1=1027,1028,
igr2=1705,1706,1705,1706,
&end
#
# 0 AMB 20-2:1270 0 AMB 20-1:1270 3.50 (# 1270:20 Double
Ambig)
&rst
ixpk= 1270, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.77, r4=
8.27,
igr1=1937,1938,1939,2307,2308,2309,2311,2312,2313,2307,
2308,2309,2311,2312,2313,
igr2=1705,1706,1705,1706,1199,1200,1199,1200,
&end
#
# 151 LEU HN 150 GLN HB+ 4.50 (# 1271:20 Unique
2.58, 4.21 A)
&rst
ixpk= 1271, nxpk= 20, iat=2272, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=2259,2260,
&end
#
# 150 GLN HA 150 GLN HB- 4.50 (# 1272:20 Unique
2.44, 2.84 A)
&rst
ixpk= 1272, nxpk= 20, iat=2257, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=2259,2260,
&end
#
# 0 AMB 20-2:1273 0 AMB 20-1:1273 2.80 (# 1273:20 Double
Ambig)
&rst
ixpk= 1273, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4=
5.84,
igr1= 718, 719,2262,2263,1217,1218,
igr2= 715, 716, 715, 716,2259,2260,1199,1200,
&end
#
# 150 GLN HA 150 GLN HB+ 4.50 (# 1274:20 Unique
2.44, 2.84 A)
&rst
ixpk= 1274, nxpk= 20, iat=2257, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=2259,2260,
&end
#
# 103 GLU HG+ 103 GLU HB+ 2.80 (# 1275:20 Unique
2.35, 2.68 A)
&rst
ixpk= 1275, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1=1540,1541,
igr2=1537,1538,
&end
#
# 103 GLU HA 103 GLU HB+ 2.80 (# 1276:20 Unique
2.23, 2.60 A)
&rst
ixpk= 1276, nxpk= 20, iat=1535, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr2=1537,1538,
&end
#
# 83 GLU HN 83 GLU HB- 2.80 (# 1277:20 Unique
2.47, 3.01 A)
&rst
ixpk= 1277, nxpk= 20, iat=1195, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr2=1199,1200,
&end
#
# 103 GLU HN 103 GLU HB- 2.80 (# 1278:20 Unique
2.01, 2.95 A)
&rst
ixpk= 1278, nxpk= 20, iat=1533, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr2=1537,1538,
&end
#
# 99 ASP HA 0 AMB 20-1:1279 4.50 (# 1279:20 Single
Ambig)
&rst
ixpk= 1279, nxpk= 20, iat=1465, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr2=1521,1522,1521,1522,
&end
#
# 102 LYS HA 0 AMB 20-1:1280 4.50 (# 1280:20 Single
Ambig)
&rst
ixpk= 1280, nxpk= 20, iat=1513, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr2=1521,1522,1521,1522,
&end
#
# 0 AMB 20-2:1281 0 AMB 20-1:1281 2.80 (# 1281:20 Double
Ambig)
&rst
ixpk= 1281, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4=
5.59,
igr1=1524,1525,1524,1525,1524,1525,
igr2=1521,1522,1521,1522,1521,1522,
&end
#
# 98 ILE HN 98 ILE HG1- 3.50 (# 1282:20 Unique
2.14, 3.06 A)
&rst
ixpk= 1282, nxpk= 20, iat=1444, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1454,1455,
&end
#
# 98 ILE HA 98 ILE HG1- 3.50 (# 1283:20 Unique
2.30, 2.59 A)
&rst
ixpk= 1283, nxpk= 20, iat=1446, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1454,1455,
&end
#
# 129 LYS HE+ 129 LYS HD+ 3.50 (# 1284:20 Unique
2.43, 2.77 A)
&rst
ixpk= 1284, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1956,1957,
igr2=1953,1954,
&end
#
# 0 AMB 20-2:1287 98 ILE HG1- 2.80 (# 1287:20 Single
Ambig)
&rst
ixpk= 1287, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4=
5.26,
igr1=1457,1458,1459,1434,1435,1436,1438,1439,1440, 872,
873, 874,
igr2=1454,1455,
&end
#
# 126 GLN HA 129 LYS HD- 4.50 (# 1288:20 Unique
2.72, 3.27 A)
&rst
ixpk= 1288, nxpk= 20, iat=1895, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1953,1954,
&end
#
# 129 LYS HG- 129 LYS HD- 2.80 (# 1291:20 Unique
2.28, 2.70 A)
&rst
ixpk= 1291, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1=1950,1951,
igr2=1953,1954,
&end
#
# 0 AMB 20-2:1292 129 LYS HD- 4.50 (# 1292:20 Single
Ambig)
&rst
ixpk= 1292, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1=1956,1957,1869,1870,
igr2=1953,1954,
&end
#
# 25 LYS HG- 25 LYS HD+ 2.80 (# 1293:20 Unique
2.42, 2.77 A)
&rst
ixpk= 1293, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1= 333, 334,
igr2= 336, 337,
&end
#
# 132 VAL MGX 25 LYS HD+ 4.50 (# 1294:20 Unique
2.89, 6.18 A)
&rst
ixpk= 1294, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1=1993,1994,1995,1997,1998,1999,
igr2= 336, 337,
&end
#
# 22 LEU HA 25 LYS HD+ 4.50 (# 1295:20 Unique
2.30, 3.43 A)
&rst
ixpk= 1295, nxpk= 20, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 336, 337,
&end
#
# 0 AMB 20-2:1296 0 AMB 20-1:1296 3.50 (# 1296:20 Double
Ambig)
&rst
ixpk= 1296, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1= 339, 340, 339, 340,2010,2011,
igr2= 336, 337, 336, 337, 336, 337,
&end
#
# 0 AMB 20-2:1299 25 LYS HD- 3.50 (# 1299:20 Single
Ambig)
&rst
ixpk= 1299, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1= 339, 340, 339, 340,2010,2011,
igr2= 336, 337,
&end
#
# 0 AMB 20-2:1300 25 LYS HD- 3.50 (# 1300:20 Single
Ambig)
&rst
ixpk= 1300, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1= 330, 331, 333, 334,
igr2= 336, 337,
&end
#
# 132 VAL MGX 25 LYS HD- 4.50 (# 1303:20 Unique
2.89, 6.18 A)
&rst
ixpk= 1303, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1=1993,1994,1995,1997,1998,1999,
igr2= 336, 337,
&end
#
# 25 LYS HB+ 25 LYS HD- 4.50 (# 1304:20 Unique
2.30, 2.79 A)
&rst
ixpk= 1304, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 330, 331,
igr2= 336, 337,
&end
#
# 98 ILE HA 98 ILE HG1+ 4.50 (# 1305:20 Unique
2.30, 2.59 A)
&rst
ixpk= 1305, nxpk= 20, iat=1446, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1454,1455,
&end
#
# 98 ILE HB 98 ILE HG1+ 4.50 (# 1306:20 Unique
2.47, 2.79 A)
&rst
ixpk= 1306, nxpk= 20, iat=1448, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1454,1455,
&end
#
# 0 AMB 20-2:1307 0 AMB 20-1:1307 2.80 (# 1307:20 Double
Ambig)
&rst
ixpk= 1307, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4=
6.21,
igr1=1457,1458,1459,1434,1435,1436,1438,1439,1440, 872,
873, 874,
igr2=1454,1455,1454,1455,1454,1455,
&end
#
# 0 AMB 20-2:1309 0 AMB 20-1:1309 2.80 (# 1309:20 Double
Ambig)
&rst
ixpk= 1309, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4=
4.74,
igr1=1475,1492,
igr2=1479,1480,1479,1480,1479,1480,
&end
#
# 100 GLN HA 0 AMB 20-1:1310 2.80 (# 1310:20 Single
Ambig)
&rst
ixpk= 1310, nxpk= 20, iat=1477, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr2=1479,1480,1479,1480,1537,1538,
&end
#
# 31 LYS HE- 31 LYS HD- 3.50 (# 1311:20 Unique
2.31, 2.72 A)
&rst
ixpk= 1311, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 416, 417,
igr2= 413, 414,
&end
#
# 133 GLU HN 133 GLU HB+ 3.50 (# 1312:20 Unique
2.10, 2.33 A)
&rst
ixpk= 1312, nxpk= 20, iat=2003, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=2007,2008,
&end
#
# 0 AMB 20-2:1313 0 AMB 20-1:1313 3.50 (# 1313:20 Double
Ambig)
&rst
ixpk= 1313, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1= 339, 340, 339, 340,2010,2011,
igr2=2007,2008,2007,2008,2007,2008,
&end
#
# 133 GLU HN 133 GLU HB- 3.50 (# 1314:20 Unique
2.10, 2.33 A)
&rst
ixpk= 1314, nxpk= 20, iat=2003, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=2007,2008,
&end
#
# 31 LYS HA 31 LYS HD- 3.50 (# 1315:20 Unique
1.99, 2.96 A)
&rst
ixpk= 1315, nxpk= 20, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2= 413, 414,
&end
#
# 31 LYS HE+ 31 LYS HD- 4.50 (# 1316:20 Unique
2.31, 2.72 A)
&rst
ixpk= 1316, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 416, 417,
igr2= 413, 414,
&end
#
# 31 LYS HA 31 LYS HD+ 3.50 (# 1318:20 Unique
1.99, 2.96 A)
&rst
ixpk= 1318, nxpk= 20, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2= 413, 414,
&end
#
# 31 LYS HE+ 31 LYS HD+ 3.50 (# 1319:20 Unique
2.31, 2.72 A)
&rst
ixpk= 1319, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 416, 417,
igr2= 413, 414,
&end
#
# 0 AMB 20-2:1321 22 LEU MDX 4.50 (# 1321:20 Single
Ambig)
&rst
ixpk= 1321, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1= 301, 282,
igr2= 291, 292, 293, 295, 296, 297,
&end
#
# 0 AMB 20-2:1322 22 LEU MDX 4.50 (# 1322:20 Single
Ambig)
&rst
ixpk= 1322, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1= 303, 284,
igr2= 291, 292, 293, 295, 296, 297,
&end
#
# 22 LEU HB+ 22 LEU MDX 3.50 (# 1323:20 Unique
2.23, 3.25 A)
&rst
ixpk= 1323, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1= 286, 287,
igr2= 291, 292, 293, 295, 296, 297,
&end
#
# 0 AMB 20-2:1324 22 LEU MDX 4.50 (# 1324:20 Single
Ambig)
&rst
ixpk= 1324, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1=2036,2117,
igr2= 291, 292, 293, 295, 296, 297,
&end
#
# 5 LEU MDY 22 LEU MDX 3.50 (# 1326:20 Unique
2.17, 4.49 A)
&rst
ixpk= 1326, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1= 72, 73, 74, 76, 77, 78,
igr2= 291, 292, 293, 295, 296, 297,
&end
#
# 127 PRO HA 127 PRO HG+ 3.50 (# 1327:20 Unique
2.96, 3.89 A)
&rst
ixpk= 1327, nxpk= 20, iat=1920, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1914,1915,
&end
#
# 127 PRO HD- 127 PRO HG+ 4.50 (# 1328:20 Unique
2.30, 2.59 A)
&rst
ixpk= 1328, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1911,1912,
igr2=1914,1915,
&end
#
# 127 PRO HB- 127 PRO HG+ 3.50 (# 1329:20 Unique
2.36, 2.63 A)
&rst
ixpk= 1329, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1917,1918,
igr2=1914,1915,
&end
#
# 127 PRO HB- 127 PRO HG- 4.50 (# 1330:20 Unique
2.36, 2.63 A)
&rst
ixpk= 1330, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1917,1918,
igr2=1914,1915,
&end
#
# 51 ARG HN 51 ARG HG- 4.50 (# 1331:20 Unique
2.64, 3.29 A)
&rst
ixpk= 1331, nxpk= 20, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 694, 695,
&end
#
# 51 ARG HA 51 ARG HG- 4.50 (# 1332:20 Unique
2.41, 2.73 A)
&rst
ixpk= 1332, nxpk= 20, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 694, 695,
&end
#
# 0 AMB 20-2:1333 51 ARG HG- 2.80 (# 1333:20 Single
Ambig)
&rst
ixpk= 1333, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4=
4.46,
igr1= 697, 698, 697, 698,
igr2= 694, 695,
&end
#
# 0 AMB 20-2:1336 51 ARG HG- 2.80 (# 1336:20 Single
Ambig)
&rst
ixpk= 1336, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4=
5.03,
igr1=1501,1502,1503,1505,1506,1507, 629, 630, 631,
igr2= 694, 695,
&end
#
# 51 ARG HA 51 ARG HG+ 3.50 (# 1337:20 Unique
2.41, 2.73 A)
&rst
ixpk= 1337, nxpk= 20, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2= 694, 695,
&end
#
# 0 AMB 20-2:1338 0 AMB 20-1:1338 2.80 (# 1338:20 Double
Ambig)
&rst
ixpk= 1338, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4=
4.94,
igr1= 697, 698, 697, 698,
igr2= 694, 695, 694, 695,
&end
#
# 81 ILE QD1 81 ILE HG1+ 2.80 (# 1340:20 Unique
2.29, 2.65 A)
&rst
ixpk= 1340, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1=1179,1180,1181,
igr2=1176,1177,
&end
#
# 148 PHE HD 111 LEU MDX 3.50 (# 1341:20 Unique
2.66, 5.38 A)
&rst
ixpk= 1341, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1=2233,2241,
igr2=1665,1666,1667,1669,1670,1671,
&end
#
# 148 PHE HN 111 LEU MDX 5.50 (# 1342:20 Unique
5.05, 7.12 A)
&rst
ixpk= 1342, nxpk= 20, iat=2225, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2=1665,1666,1667,1669,1670,1671,
&end
#
# 111 LEU HA 111 LEU MDX 5.50 (# 1345:20 Unique
3.62, 4.35 A)
&rst
ixpk= 1345, nxpk= 20, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2=1665,1666,1667,1669,1670,1671,
&end
#
# 111 LEU HB- 111 LEU MDX 2.80 (# 1346:20 Unique
2.20, 3.25 A)
&rst
ixpk= 1346, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4=
4.74,
igr1=1660,1661,
igr2=1665,1666,1667,1669,1670,1671,
&end
#
# 0 AMB 20-2:1347 111 LEU MDX 2.80 (# 1347:20 Single
Ambig)
&rst
ixpk= 1347, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4=
5.94,
igr1=2038,2039,2040,2042,2043,2044,1091,1092,1093,
igr2=1665,1666,1667,1669,1670,1671,
&end
#
# 59 LEU MDY 111 LEU MDX 3.50 (# 1348:20 Unique
2.67, 5.82 A)
&rst
ixpk= 1348, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1= 849, 850, 851, 853, 854, 855,
igr2=1665,1666,1667,1669,1670,1671,
&end
#
# 73 ILE QG2 111 LEU MDX 2.80 (# 1349:20 Unique
2.08, 3.59 A)
&rst
ixpk= 1349, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4=
5.03,
igr1=1041,1042,1043,
igr2=1665,1666,1667,1669,1670,1671,
&end
#
# 0 AMB 20-2:1350 26 CYS HB- 4.50 (# 1350:20 Single
Ambig)
&rst
ixpk= 1350, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 348, 359,
igr2= 352, 353,
&end
#
# 26 CYS HA 26 CYS HB- 4.50 (# 1351:20 Unique
2.44, 2.78 A)
&rst
ixpk= 1351, nxpk= 20, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 352, 353,
&end
#
# 0 AMB 20-2:1355 0 AMB 20-1:1355 3.50 (# 1355:20 Double
Ambig)
&rst
ixpk= 1355, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1= 348, 359,
igr2= 352, 353, 352, 353,
&end
#
# 0 AMB 20-2:1358 0 AMB 20-1:1358 4.50 (# 1358:20 Double
Ambig)
&rst
ixpk= 1358, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1=2069,2081,2082,
igr2=2073,2074,2073,2074,
&end
#
# 137 GLN HA 137 GLN HB+ 3.50 (# 1359:20 Unique
2.33, 2.43 A)
&rst
ixpk= 1359, nxpk= 20, iat=2071, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=2073,2074,
&end
#
# 137 GLN HG- 137 GLN HB+ 2.80 (# 1360:20 Unique
2.39, 2.74 A)
&rst
ixpk= 1360, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1=2076,2077,
igr2=2073,2074,
&end
#
# 78 PRO HD- 78 PRO HG+ 3.50 (# 1364:20 Unique
2.27, 2.61 A)
&rst
ixpk= 1364, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1129,1130,
igr2=1132,1133,
&end
#
# 70 PRO HD+ 70 PRO HG- 2.80 (# 1365:20 Unique
2.34, 2.63 A)
&rst
ixpk= 1365, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1=1000,1001,
igr2=1003,1004,
&end
#
# 0 AMB 20-2:1367 0 AMB 20-1:1367 2.80 (# 1367:20 Double
Ambig)
&rst
ixpk= 1367, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4=
6.21,
igr1=1450,1451,1452, 636, 637, 638,1607,1608,1609,1611,
1612,1613,
igr2=1132,1133, 586, 587,1132,1133,
&end
#
# 0 AMB 20-2:1368 137 GLN HB- 3.50 (# 1368:20 Single
Ambig)
&rst
ixpk= 1368, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1=2069,2081,2082,
igr2=2073,2074,
&end
#
# 137 GLN HG- 137 GLN HB- 2.80 (# 1369:20 Unique
2.39, 2.74 A)
&rst
ixpk= 1369, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1=2076,2077,
igr2=2073,2074,
&end
#
# 0 AMB 20-2:1371 44 GLU HB- 4.50 (# 1371:20 Single
Ambig)
&rst
ixpk= 1371, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4=
8.14,
igr1=1434,1435,1436,1438,1439,1440,1380,1381,1382,1384,
1385,1386,
igr2= 586, 587,
&end
#
# 93 PRO HA 0 AMB 20-1:1372 3.50 (# 1372:20 Single
Ambig)
&rst
ixpk= 1372, nxpk= 20, iat=1367, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr2=1361,1362,1361,1362,
&end
#
# 0 AMB 20-2:1373 0 AMB 20-1:1373 2.80 (# 1373:20 Double
Ambig)
&rst
ixpk= 1373, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4=
4.94,
igr1=1358,1359,1358,1359,
igr2=1361,1362,1361,1362,
&end
#
# 0 AMB 20-2:1374 0 AMB 20-1:1374 2.80 (# 1374:20 Double
Ambig)
&rst
ixpk= 1374, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4=
5.84,
igr1=1358,1359, 227, 228, 227, 228,
igr2=1361,1362,1361,1362, 253, 254, 253, 254,
&end
#
# 20 PRO HB+ 20 PRO HG+ 3.50 (# 1375:20 Unique
2.36, 2.62 A)
&rst
ixpk= 1375, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 256, 257,
igr2= 253, 254,
&end
#
# 54 ARG HA 54 ARG HB- 2.80 (# 1377:20 Unique
2.50, 2.81 A)
&rst
ixpk= 1377, nxpk= 20, iat= 747, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr2= 749, 750,
&end
#
# 0 AMB 20-2:1378 54 ARG HB- 3.50 (# 1378:20 Single
Ambig)
&rst
ixpk= 1378, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1= 755, 756, 755, 756,
igr2= 749, 750,
&end
#
# 78 PRO HD- 78 PRO HG- 2.80 (# 1381:20 Unique
2.27, 2.61 A)
&rst
ixpk= 1381, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1=1129,1130,
igr2=1132,1133,
&end
#
# 54 ARG HA 54 ARG HB+ 2.80 (# 1383:20 Unique
2.50, 2.81 A)
&rst
ixpk= 1383, nxpk= 20, iat= 747, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr2= 749, 750,
&end
#
# 0 AMB 20-2:1384 0 AMB 20-1:1384 3.50 (# 1384:20 Double
Ambig)
&rst
ixpk= 1384, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1= 770, 771, 670,
igr2= 773, 774, 773, 774,
&end
#
# 0 AMB 20-2:1386 0 AMB 20-1:1386 2.80 (# 1386:20 Double
Ambig)
&rst
ixpk= 1386, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4=
4.94,
igr1=2024,2025,2026,1039,
igr2=1045,1046,1045,1046,
&end
#
# 0 AMB 20-2:1387 0 AMB 20-1:1387 2.80 (# 1387:20 Double
Ambig)
&rst
ixpk= 1387, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4=
7.33,
igr1= 118, 119, 120, 122, 123, 124,1434,1435,1436,1438,
1439,1440,1573,1574,1575,1380,1381,1382,1384,1385,
1386,
igr2= 572, 573, 572, 573, 572, 573, 773, 774, 572, 573,
&end
#
# 73 ILE QG2 73 ILE HG1+ 4.50 (# 1389:20 Unique
2.24, 3.22 A)
&rst
ixpk= 1389, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1041,1042,1043,
igr2=1045,1046,
&end
#
# 0 AMB 20-2:1390 55 PRO HG- 4.50 (# 1390:20 Single
Ambig)
&rst
ixpk= 1390, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1= 770, 771, 670,
igr2= 773, 774,
&end
#
# 4 VAL MGY 55 PRO HG- 3.50 (# 1391:20 Unique
2.06, 3.99 A)
&rst
ixpk= 1391, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1= 53, 54, 55, 57, 58, 59,
igr2= 773, 774,
&end
#
# 0 AMB 20-2:1392 55 PRO HG- 3.50 (# 1392:20 Single
Ambig)
&rst
ixpk= 1392, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 674, 675, 676,1501,1502,1503,1505,1506,1507,
igr2= 773, 774,
&end
#
# 81 ILE HN 81 ILE HG1- 3.50 (# 1393:20 Unique
2.05, 2.88 A)
&rst
ixpk= 1393, nxpk= 20, iat=1166, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1176,1177,
&end
#
# 81 ILE HA 81 ILE HG1- 4.50 (# 1394:20 Unique
2.35, 2.65 A)
&rst
ixpk= 1394, nxpk= 20, iat=1168, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1176,1177,
&end
#
# 81 ILE HN 81 ILE HG1+ 4.50 (# 1396:20 Unique
2.05, 2.88 A)
&rst
ixpk= 1396, nxpk= 20, iat=1166, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1176,1177,
&end
#
# 0 AMB 20-2:1399 0 AMB 20-1:1399 3.50 (# 1399:20 Double
Ambig)
&rst
ixpk= 1399, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4=
6.06,
igr1=1638, 861,
igr2= 869, 870, 830, 831, 832, 834, 835, 836,
&end
#
# 0 AMB 20-2:1401 73 ILE HG1- 4.50 (# 1401:20 Single
Ambig)
&rst
ixpk= 1401, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1=2024,2025,2026,1039,
igr2=1045,1046,
&end
#
# 0 AMB 20-2:1403 26 CYS HB- 3.50 (# 1403:20 Single
Ambig)
&rst
ixpk= 1403, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4=
6.44,
igr1= 492, 493, 494, 496, 497, 498, 291, 292, 293, 295,
296, 297,
igr2= 352, 353,
&end
#
# 0 AMB 20-2:1405 0 AMB 20-1:1405 3.50 (# 1405:20 Double
Ambig)
&rst
ixpk= 1405, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4=
7.17,
igr1= 492, 493, 494, 496, 497, 498, 291, 292, 293, 295,
296, 297,
igr2= 352, 353, 352, 353,
&end
#
# 0 AMB 20-2:1406 0 AMB 20-1:1406 4.50 (# 1406:20 Double
Ambig)
&rst
ixpk= 1406, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1= 399, 405,
igr2= 393, 394, 393, 394,
&end
#
# 30 PRO HD- 30 PRO HG+ 2.80 (# 1407:20 Unique
2.32, 2.62 A)
&rst
ixpk= 1407, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1= 390, 391,
igr2= 393, 394,
&end
#
# 30 PRO HD+ 30 PRO HG- 2.80 (# 1408:20 Unique
2.32, 2.62 A)
&rst
ixpk= 1408, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1= 390, 391,
igr2= 393, 394,
&end
#
# 44 GLU HA 44 GLU HB- 3.50 (# 1409:20 Unique
2.21, 2.41 A)
&rst
ixpk= 1409, nxpk= 20, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2= 586, 587,
&end
#
# 47 ILE QD1 44 GLU HB- 5.50 (# 1410:20 Unique
2.35, 3.73 A)
&rst
ixpk= 1410, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 636, 637, 638,
igr2= 586, 587,
&end
#
# 123 PRO HD- 123 PRO HG- 3.50 (# 1411:20 Unique
2.30, 2.60 A)
&rst
ixpk= 1411, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1849,1850,
igr2=1852,1853,
&end
#
# 123 PRO HA 123 PRO HG+ 4.50 (# 1412:20 Unique
3.84, 3.99 A)
&rst
ixpk= 1412, nxpk= 20, iat=1858, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1852,1853,
&end
#
# 123 PRO HD- 123 PRO HG+ 3.50 (# 1413:20 Unique
2.30, 2.60 A)
&rst
ixpk= 1413, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1849,1850,
igr2=1852,1853,
&end
#
# 123 PRO HD+ 123 PRO HG+ 3.50 (# 1414:20 Unique
2.30, 2.60 A)
&rst
ixpk= 1414, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1849,1850,
igr2=1852,1853,
&end
#
# 0 AMB 20-2:1415 0 AMB 20-1:1415 4.50 (# 1415:20 Double
Ambig)
&rst
ixpk= 1415, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1= 578, 549,
igr2= 572, 573, 572, 573, 572, 573,
&end
#
# 43 PRO HD- 0 AMB 20-1:1416 3.50 (# 1416:20 Single
Ambig)
&rst
ixpk= 1416, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1= 569, 570,
igr2= 572, 573, 572, 573,
&end
#
# 20 PRO HB+ 20 PRO HG- 3.50 (# 1417:20 Unique
2.36, 2.62 A)
&rst
ixpk= 1417, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 256, 257,
igr2= 253, 254,
&end
#
# 54 ARG HA 0 AMB 20-1:1418 3.50 (# 1418:20 Single
Ambig)
&rst
ixpk= 1418, nxpk= 20, iat= 747, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr2= 752, 753, 752, 753,
&end
#
# 0 AMB 20-2:1419 0 AMB 20-1:1419 2.80 (# 1419:20 Double
Ambig)
&rst
ixpk= 1419, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4=
5.59,
igr1= 755, 756, 755, 756, 755, 756,
igr2= 752, 753, 752, 753, 752, 753,
&end
#
# 75 ILE HA 75 ILE HG1- 4.50 (# 1422:20 Unique
3.18, 3.52 A)
&rst
ixpk= 1422, nxpk= 20, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1088,1089,
&end
#
# 0 AMB 20-2:1423 0 AMB 20-1:1423 4.50 (# 1423:20 Double
Ambig)
&rst
ixpk= 1423, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1=1617,1636,
igr2=1627,1628,1627,1628,
&end
#
# 109 ILE HA 109 ILE HG1+ 3.50 (# 1424:20 Unique
2.35, 3.17 A)
&rst
ixpk= 1424, nxpk= 20, iat=1619, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1627,1628,
&end
#
# 76 ILE HN 76 ILE HG1+ 4.50 (# 1426:20 Unique
2.58, 3.13 A)
&rst
ixpk= 1426, nxpk= 20, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1107,1108,
&end
#
# 75 ILE HA 75 ILE HG1+ 3.50 (# 1427:20 Unique
3.18, 3.52 A)
&rst
ixpk= 1427, nxpk= 20, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1088,1089,
&end
#
# 0 AMB 20-2:1428 0 AMB 20-1:1428 3.50 (# 1428:20 Double
Ambig)
&rst
ixpk= 1428, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4=
6.06,
igr1=2201,2202,2229,2230,
igr2=1088,1089,1088,1089,
&end
#
# 0 AMB 20-2:1429 0 AMB 20-1:1429 3.50 (# 1429:20 Double
Ambig)
&rst
ixpk= 1429, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 265,1746,
igr2= 270,1754,1755,
&end
#
# 21 LEU HB+ 21 LEU HG 3.50 (# 1430:20 Unique
2.23, 2.74 A)
&rst
ixpk= 1430, nxpk= 20, iat= -1, 270, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 267, 268,
&end
#
# 113 ILE HA 113 ILE HG1- 4.50 (# 1431:20 Unique
2.55, 2.71 A)
&rst
ixpk= 1431, nxpk= 20, iat=1684, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1692,1693,
&end
#
# 81 ILE QG2 81 ILE HG1- 2.80 (# 1432:20 Unique
2.41, 3.52 A)
&rst
ixpk= 1432, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1=1172,1173,1174,
igr2=1176,1177,
&end
#
# 0 AMB 20-2:1433 113 ILE HG1- 2.80 (# 1433:20 Single
Ambig)
&rst
ixpk= 1433, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4=
5.19,
igr1=1045,1046,1665,1666,1667,1669,1670,1671,1695,1696,
1697,
igr2=1692,1693,
&end
#
# 109 ILE HA 109 ILE HG1- 4.50 (# 1434:20 Unique
2.35, 3.17 A)
&rst
ixpk= 1434, nxpk= 20, iat=1619, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1627,1628,
&end
#
# 109 ILE QD1 109 ILE HG1- 2.80 (# 1436:20 Unique
2.29, 2.67 A)
&rst
ixpk= 1436, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1=1630,1631,1632,
igr2=1627,1628,
&end
#
# 109 ILE HB 109 ILE HG1- 3.50 (# 1437:20 Unique
2.64, 2.87 A)
&rst
ixpk= 1437, nxpk= 20, iat=1621, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1627,1628,
&end
#
# 0 AMB 20-2:1438 0 AMB 20-1:1438 3.50 (# 1438:20 Double
Ambig)
&rst
ixpk= 1438, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1= 492, 493, 494, 496, 497, 498,1607,1608,1609,1611,
1612,1613,
igr2= 70,1627,1628,
&end
#
# 5 LEU MDX 5 LEU HG 3.50 (# 1439:20 Unique
2.27, 2.65 A)
&rst
ixpk= 1439, nxpk= 20, iat= -1, 70, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 72, 73, 74, 76, 77, 78,
&end
#
# 5 LEU MDY 5 LEU HG 3.50 (# 1440:20 Unique
2.27, 2.65 A)
&rst
ixpk= 1440, nxpk= 20, iat= -1, 70, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 72, 73, 74, 76, 77, 78,
&end
#
# 111 LEU HA 111 LEU HG 4.50 (# 1441:20 Unique
2.46, 2.55 A)
&rst
ixpk= 1441, nxpk= 20, iat=1658,1663, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 111 LEU MDX 111 LEU HG 2.80 (# 1442:20 Unique
2.38, 2.68 A)
&rst
ixpk= 1442, nxpk= 20, iat= -1,1663, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1=1665,1666,1667,1669,1670,1671,
&end
#
# 73 ILE QG2 111 LEU HG 4.50 (# 1443:20 Unique
2.35, 3.00 A)
&rst
ixpk= 1443, nxpk= 20, iat= -1,1663, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1=1041,1042,1043,
&end
#
# 76 ILE HA 76 ILE HG1- 4.50 (# 1444:20 Unique
2.69, 3.15 A)
&rst
ixpk= 1444, nxpk= 20, iat=1099, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1107,1108,
&end
#
# 136 TYR HA 139 LEU MDX 3.50 (# 1446:20 Unique
2.18, 4.40 A)
&rst
ixpk= 1446, nxpk= 20, iat=2050, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr2=2119,2120,2121,2123,2124,2125,
&end
#
# 0 AMB 20-2:1448 139 LEU MDX 2.80 (# 1448:20 Single
Ambig)
&rst
ixpk= 1448, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4=
5.44,
igr1=2117,2090,2091,2090,2091,
igr2=2119,2120,2121,2123,2124,2125,
&end
#
# 139 LEU HB+ 139 LEU MDX 3.50 (# 1449:20 Unique
2.32, 3.51 A)
&rst
ixpk= 1449, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1=2114,2115,
igr2=2119,2120,2121,2123,2124,2125,
&end
#
# 31 LYS HB- 139 LEU MDX 4.50 (# 1450:20 Unique
2.57, 5.20 A)
&rst
ixpk= 1450, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1= 407, 408,
igr2=2119,2120,2121,2123,2124,2125,
&end
#
# 0 AMB 20-2:1451 139 LEU MDX 3.50 (# 1451:20 Single
Ambig)
&rst
ixpk= 1451, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=2114,2115, 70,
igr2=2119,2120,2121,2123,2124,2125,
&end
#
# 0 AMB 20-2:1452 139 LEU MDX 2.80 (# 1452:20 Single
Ambig)
&rst
ixpk= 1452, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4=
6.36,
igr1=2038,2039,2040,2042,2043,2044, 291, 292, 293, 295,
296, 297, 410, 411,
igr2=2119,2120,2121,2123,2124,2125,
&end
#
# 30 PRO HD+ 30 PRO HG+ 2.80 (# 1454:20 Unique
2.32, 2.62 A)
&rst
ixpk= 1454, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1= 390, 391,
igr2= 393, 394,
&end
#
# 30 PRO HB+ 30 PRO HG+ 2.80 (# 1455:20 Unique
2.36, 2.63 A)
&rst
ixpk= 1455, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1= 396, 397,
igr2= 393, 394,
&end
#
# 0 AMB 20-2:1456 30 PRO HG- 4.50 (# 1456:20 Single
Ambig)
&rst
ixpk= 1456, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 399, 405,
igr2= 393, 394,
&end
#
# 30 PRO HD- 30 PRO HG- 3.50 (# 1457:20 Unique
2.32, 2.62 A)
&rst
ixpk= 1457, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 390, 391,
igr2= 393, 394,
&end
#
# 30 PRO HB+ 30 PRO HG- 3.50 (# 1458:20 Unique
2.36, 2.63 A)
&rst
ixpk= 1458, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 396, 397,
igr2= 393, 394,
&end
#
# 0 AMB 20-2:1459 53 LEU HG 2.80 (# 1459:20 Single
Ambig)
&rst
ixpk= 1459, nxpk= 20, iat= -1, 733, r1= 1.30, r2= 1.80, r3= 4.24, r4=
4.74,
igr1= 735, 736, 737, 739, 740, 741, 735, 736, 737, 739,
740, 741,
&end
#
# 138 ARG HA 138 ARG HG- 4.50 (# 1460:20 Unique
2.45, 3.16 A)
&rst
ixpk= 1460, nxpk= 20, iat=2088, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=2093,2094,
&end
#
# 138 ARG HD+ 138 ARG HG- 4.50 (# 1461:20 Unique
2.24, 2.62 A)
&rst
ixpk= 1461, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=2096,2097,
igr2=2093,2094,
&end
#
# 0 AMB 20-2:1462 138 ARG HG- 2.80 (# 1462:20 Single
Ambig)
&rst
ixpk= 1462, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4=
4.46,
igr1=2090,2091,2090,2091,
igr2=2093,2094,
&end
#
# 54 ARG HN 0 AMB 20-1:1463 3.50 (# 1463:20 Single
Ambig)
&rst
ixpk= 1463, nxpk= 20, iat= 745, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr2= 752, 753, 752, 753,
&end
#
# 138 ARG HA 138 ARG HG+ 4.50 (# 1464:20 Unique
2.45, 3.16 A)
&rst
ixpk= 1464, nxpk= 20, iat=2088, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=2093,2094,
&end
#
# 138 ARG HD+ 138 ARG HG+ 4.50 (# 1465:20 Unique
2.24, 2.62 A)
&rst
ixpk= 1465, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=2096,2097,
igr2=2093,2094,
&end
#
# 0 AMB 20-2:1466 0 AMB 20-1:1466 3.50 (# 1466:20 Double
Ambig)
&rst
ixpk= 1466, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4=
6.06,
igr1=2090,2091,2090,2091,
igr2=2093,2094,2093,2094,
&end
#
# 0 AMB 20-2:1467 0 AMB 20-1:1467 3.50 (# 1467:20 Double
Ambig)
&rst
ixpk= 1467, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 770, 771,1373,
igr2=1570,1571,1378,
&end
#
# 105 ILE HA 105 ILE HG1- 4.50 (# 1468:20 Unique
2.43, 2.78 A)
&rst
ixpk= 1468, nxpk= 20, iat=1562, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1570,1571,
&end
#
# 148 PHE HB- 75 ILE HG1- 4.50 (# 1470:20 Unique
2.45, 3.22 A)
&rst
ixpk= 1470, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=2229,2230,
igr2=1088,1089,
&end
#
# 0 AMB 20-2:1471 0 AMB 20-1:1471 2.80 (# 1471:20 Double
Ambig)
&rst
ixpk= 1471, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4=
4.46,
igr1=1082,1621,
igr2=1088,1089,1627,1628,
&end
#
# 0 AMB 20-2:1472 0 AMB 20-1:1472 2.80 (# 1472:20 Double
Ambig)
&rst
ixpk= 1472, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4=
5.78,
igr1=1623,1624,1625,2281,2282,2283,2285,2286,2287,
igr2=1627,1628,2279,1107,1108,
&end
#
# 97 LEU HA 97 LEU HG 3.50 (# 1473:20 Unique
2.48, 3.31 A)
&rst
ixpk= 1473, nxpk= 20, iat=1427,1432, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 22 LEU HB+ 22 LEU HG 3.50 (# 1474:20 Unique
2.43, 2.80 A)
&rst
ixpk= 1474, nxpk= 20, iat= -1, 289, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 286, 287,
&end
#
# 0 AMB 20-2:1475 0 AMB 20-1:1475 2.80 (# 1475:20 Double
Ambig)
&rst
ixpk= 1475, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4=
5.68,
igr1=2281,2282,2283,2285,2286,2287,1107,1108, 91, 92,
93, 95, 96, 97,1380,1381,1382,1384,1385,1386,
igr2=2279,1432,
&end
#
# 117 ILE HN 117 ILE HG1+ 4.50 (# 1476:20 Unique
2.18, 3.25 A)
&rst
ixpk= 1476, nxpk= 20, iat=1744, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1754,1755,
&end
#
# 117 ILE HB 117 ILE HG1+ 2.80 (# 1477:20 Unique
2.35, 2.81 A)
&rst
ixpk= 1477, nxpk= 20, iat=1748, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr2=1754,1755,
&end
#
# 0 AMB 20-2:1479 0 AMB 20-1:1479 2.80 (# 1479:20 Double
Ambig)
&rst
ixpk= 1479, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4=
5.78,
igr1=1045,1046, 86, 87, 953, 954, 955, 575, 576,
igr2=1692,1693, 89,1061,1062,
&end
#
# 37 ILE HA 37 ILE HG1+ 4.50 (# 1480:20 Unique
2.26, 2.72 A)
&rst
ixpk= 1480, nxpk= 20, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 512, 513,
&end
#
# 0 AMB 20-2:1481 0 AMB 20-1:1481 2.80 (# 1481:20 Double
Ambig)
&rst
ixpk= 1481, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4=
4.74,
igr1=1058,1059, 506,
igr2=1061,1062, 512, 513,
&end
#
# 37 ILE HA 37 ILE HG1- 4.50 (# 1483:20 Unique
2.26, 2.72 A)
&rst
ixpk= 1483, nxpk= 20, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 512, 513,
&end
#
# 37 ILE HB 37 ILE HG1- 4.50 (# 1484:20 Unique
2.39, 2.73 A)
&rst
ixpk= 1484, nxpk= 20, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 512, 513,
&end
#
# 0 AMB 20-2:1486 37 ILE HG1- 2.80 (# 1486:20 Single
Ambig)
&rst
ixpk= 1486, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4=
4.74,
igr1= 515, 516, 517, 508, 509, 510,
igr2= 512, 513,
&end
#
# 117 ILE HA 117 ILE HG1- 4.50 (# 1487:20 Unique
3.35, 4.01 A)
&rst
ixpk= 1487, nxpk= 20, iat=1746, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1754,1755,
&end
#
# 117 ILE QG2 117 ILE HG1- 2.80 (# 1489:20 Unique
2.19, 3.11 A)
&rst
ixpk= 1489, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1=1750,1751,1752,
igr2=1754,1755,
&end
#
# 105 ILE HA 105 ILE HG1+ 4.50 (# 1490:20 Unique
2.43, 2.78 A)
&rst
ixpk= 1490, nxpk= 20, iat=1562, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1570,1571,
&end
#
# 0 AMB 20-2:1492 151 LEU MDX 2.80 (# 1492:20 Single
Ambig)
&rst
ixpk= 1492, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4=
5.03,
igr1=2279,1107,1108,
igr2=2281,2282,2283,2285,2286,2287,
&end
#
# 59 LEU HB+ 59 LEU HG 4.50 (# 1493:20 Unique
2.20, 2.70 A)
&rst
ixpk= 1493, nxpk= 20, iat= -1, 847, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 844, 845,
&end
#
# 59 LEU MDX 59 LEU HG 3.50 (# 1494:20 Unique
2.36, 2.66 A)
&rst
ixpk= 1494, nxpk= 20, iat= -1, 847, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 849, 850, 851, 853, 854, 855,
&end
#
# 5 LEU HB+ 5 LEU MDX 3.50 (# 1495:20 Unique
2.34, 3.35 A)
&rst
ixpk= 1495, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1= 67, 68,
igr2= 72, 73, 74, 76, 77, 78,
&end
#
# 22 LEU HG 5 LEU MDX 3.50 (# 1496:20 Unique
2.89, 4.53 A)
&rst
ixpk= 1496, nxpk= 20, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr2= 72, 73, 74, 76, 77, 78,
&end
#
# 5 LEU HG 5 LEU MDX 3.50 (# 1497:20 Unique
2.27, 2.65 A)
&rst
ixpk= 1497, nxpk= 20, iat= 70, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr2= 72, 73, 74, 76, 77, 78,
&end
#
# 36 VAL MGY 5 LEU MDX 2.80 (# 1498:20 Unique
2.30, 5.75 A)
&rst
ixpk= 1498, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4=
5.59,
igr1= 492, 493, 494, 496, 497, 498,
igr2= 72, 73, 74, 76, 77, 78,
&end
#
# 0 AMB 20-2:1499 5 LEU MDX 2.80 (# 1499:20 Single
Ambig)
&rst
ixpk= 1499, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4=
6.21,
igr1= 291, 292, 293, 295, 296, 297, 492, 493, 494, 496,
497, 498,
igr2= 72, 73, 74, 76, 77, 78,
&end
#
# 0 AMB 20-2:1500 5 LEU MDX 2.80 (# 1500:20 Single
Ambig)
&rst
ixpk= 1500, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4=
5.84,
igr1=2119,2120,2121,2123,2124,2125, 844, 845,
igr2= 72, 73, 74, 76, 77, 78,
&end
#
# 139 LEU MDY 5 LEU MDX 3.50 (# 1502:20 Unique
2.17, 4.90 A)
&rst
ixpk= 1502, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1=2119,2120,2121,2123,2124,2125,
igr2= 72, 73, 74, 76, 77, 78,
&end
#
# 126 GLN HN 126 GLN HB+ 4.50 (# 1503:20 Unique
2.13, 2.40 A)
&rst
ixpk= 1503, nxpk= 20, iat=1893, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1897,1898,
&end
#
# 0 AMB 20-2:1504 0 AMB 20-1:1504 3.50 (# 1504:20 Double
Ambig)
&rst
ixpk= 1504, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1=1911,1912,1895,
igr2=1897,1898,1897,1898,
&end
#
# 0 AMB 20-2:1505 0 AMB 20-1:1505 3.50 (# 1505:20 Double
Ambig)
&rst
ixpk= 1505, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4=
6.06,
igr1=1900,1901,1900,1901,
igr2=1897,1898,1897,1898,
&end
#
# 0 AMB 20-2:1506 126 GLN HB- 3.50 (# 1506:20 Single
Ambig)
&rst
ixpk= 1506, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1=1911,1912,1895,
igr2=1897,1898,
&end
#
# 0 AMB 20-2:1507 126 GLN HB- 3.50 (# 1507:20 Single
Ambig)
&rst
ixpk= 1507, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1=1900,1901,1900,1901,
igr2=1897,1898,
&end
#
# 105 ILE HN 105 ILE HG1- 3.50 (# 1510:20 Unique
2.24, 3.01 A)
&rst
ixpk= 1510, nxpk= 20, iat=1560, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1570,1571,
&end
#
# 5 LEU MDX 22 LEU HG 3.50 (# 1511:20 Unique
2.89, 4.53 A)
&rst
ixpk= 1511, nxpk= 20, iat= -1, 289, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 72, 73, 74, 76, 77, 78,
&end
#
# 0 AMB 20-2:1512 0 AMB 20-1:1512 3.50 (# 1512:20 Double
Ambig)
&rst
ixpk= 1512, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4=
6.06,
igr1=1956,1957,1869,1870,
igr2=1950,1951,1950,1951,
&end
#
# 0 AMB 20-2:1513 0 AMB 20-1:1513 4.50 (# 1513:20 Double
Ambig)
&rst
ixpk= 1513, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4=
7.64,
igr1=1956,1957,1869,1870,
igr2=1950,1951,1950,1951,
&end
#
# 129 LYS HN 129 LYS HG+ 4.50 (# 1514:20 Unique
2.31, 3.25 A)
&rst
ixpk= 1514, nxpk= 20, iat=1943, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1950,1951,
&end
#
# 129 LYS HA 129 LYS HG+ 3.50 (# 1515:20 Unique
2.34, 2.76 A)
&rst
ixpk= 1515, nxpk= 20, iat=1945, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1950,1951,
&end
#
# 0 AMB 20-2:1516 37 ILE HG1- 3.50 (# 1516:20 Single
Ambig)
&rst
ixpk= 1516, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1= 53, 54, 55, 57, 58, 59, 735, 736, 737, 739,
740, 741, 735, 736, 737, 739, 740, 741,
igr2= 512, 513,
&end
#
# 0 AMB 20-2:1517 0 AMB 20-1:1517 4.50 (# 1517:20 Double
Ambig)
&rst
ixpk= 1517, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4=
7.64,
igr1= 773, 774, 749, 750,
igr2=1570,1571,1570,1571,
&end
#
# 105 ILE QD1 105 ILE HG1+ 2.80 (# 1518:20 Unique
2.31, 2.66 A)
&rst
ixpk= 1518, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1=1573,1574,1575,
igr2=1570,1571,
&end
#
# 0 AMB 20-2:1519 0 AMB 20-1:1519 3.50 (# 1519:20 Double
Ambig)
&rst
ixpk= 1519, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4=
7.17,
igr1=1991, 474, 318, 319,
igr2= 272, 273, 274, 276, 277, 278, 735, 736, 737, 739,
740, 741,
&end
#
# 0 AMB 20-2:1520 21 LEU MDX 4.50 (# 1520:20 Single
Ambig)
&rst
ixpk= 1520, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4=
8.14,
igr1=1866,1867,1953,1954,
igr2= 272, 273, 274, 276, 277, 278,
&end
#
# 53 LEU HN 53 LEU MDX 4.50 (# 1521:20 Unique
2.84, 4.36 A)
&rst
ixpk= 1521, nxpk= 20, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr2= 735, 736, 737, 739, 740, 741,
&end
#
# 53 LEU HA 53 LEU MDX 3.50 (# 1522:20 Unique
2.11, 3.60 A)
&rst
ixpk= 1522, nxpk= 20, iat= 728, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr2= 735, 736, 737, 739, 740, 741,
&end
#
# 50 ILE HA 53 LEU MDX 3.50 (# 1523:20 Unique
2.49, 5.01 A)
&rst
ixpk= 1523, nxpk= 20, iat= 670, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr2= 735, 736, 737, 739, 740, 741,
&end
#
# 0 AMB 20-2:1524 53 LEU MDX 2.80 (# 1524:20 Single
Ambig)
&rst
ixpk= 1524, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4=
5.03,
igr1= 733, 773, 774,
igr2= 735, 736, 737, 739, 740, 741,
&end
#
# 68 LEU HA 68 LEU MDX 4.50 (# 1525:20 Unique
2.17, 3.84 A)
&rst
ixpk= 1525, nxpk= 20, iat= 968, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr2= 975, 976, 977, 979, 980, 981,
&end
#
# 0 AMB 20-2:1526 68 LEU MDX 4.50 (# 1526:20 Single
Ambig)
&rst
ixpk= 1526, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4=
8.14,
igr1=1027,1028,1064,1065,
igr2= 975, 976, 977, 979, 980, 981,
&end
#
# 0 AMB 20-2:1527 68 LEU MDX 2.80 (# 1527:20 Single
Ambig)
&rst
ixpk= 1527, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4=
5.44,
igr1= 953, 954, 955,2321,2322,
igr2= 975, 976, 977, 979, 980, 981,
&end
#
# 68 LEU HB+ 68 LEU MDX 3.50 (# 1528:20 Unique
2.35, 3.30 A)
&rst
ixpk= 1528, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1= 970, 971,
igr2= 975, 976, 977, 979, 980, 981,
&end
#
# 151 LEU MDY 68 LEU MDX 2.80 (# 1529:20 Unique
2.46, 6.10 A)
&rst
ixpk= 1529, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4=
5.59,
igr1=2281,2282,2283,2285,2286,2287,
igr2= 975, 976, 977, 979, 980, 981,
&end
#
# 111 LEU HB+ 111 LEU MDY 3.50 (# 1531:20 Unique
2.20, 3.25 A)
&rst
ixpk= 1531, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1=1660,1661,
igr2=1665,1666,1667,1669,1670,1671,
&end
#
# 113 ILE HG1- 111 LEU MDY 4.50 (# 1532:20 Unique
2.22, 4.76 A)
&rst
ixpk= 1532, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1=1692,1693,
igr2=1665,1666,1667,1669,1670,1671,
&end
#
# 113 ILE HB 111 LEU MDY 4.50 (# 1533:20 Unique
4.58, 6.91 A)
&rst
ixpk= 1533, nxpk= 20, iat=1686, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr2=1665,1666,1667,1669,1670,1671,
&end
#
# 135 VAL MGY 111 LEU MDY 4.50 (# 1534:20 Unique
2.13, 4.16 A)
&rst
ixpk= 1534, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4=
8.68,
igr1=2038,2039,2040,2042,2043,2044,
igr2=1665,1666,1667,1669,1670,1671,
&end
#
# 73 ILE QG2 111 LEU MDY 3.50 (# 1535:20 Unique
2.08, 3.59 A)
&rst
ixpk= 1535, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1041,1042,1043,
igr2=1665,1666,1667,1669,1670,1671,
&end
#
# 0 AMB 20-2:1536 101 LEU HG 2.80 (# 1536:20 Single
Ambig)
&rst
ixpk= 1536, nxpk= 20, iat= -1,1499, r1= 1.30, r2= 1.80, r3= 4.40, r4=
4.90,
igr1=1501,1502,1503,1505,1506,1507,1573,1574,1575,1434,
1435,1436,1438,1439,1440,
&end
#
# 57 ARG HA 0 AMB 20-1:1537 4.50 (# 1537:20 Single
Ambig)
&rst
ixpk= 1537, nxpk= 20, iat= 799, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr2= 804, 805, 804, 805,
&end
#
# 0 AMB 20-2:1538 0 AMB 20-1:1538 3.50 (# 1538:20 Double
Ambig)
&rst
ixpk= 1538, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4=
6.06,
igr1= 807, 808, 807, 808,
igr2= 804, 805, 804, 805,
&end
#
# 57 ARG HD- 0 AMB 20-1:1539 3.50 (# 1539:20 Single
Ambig)
&rst
ixpk= 1539, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1= 807, 808,
igr2= 804, 805, 804, 805,
&end
#
# 0 AMB 20-2:1541 21 LEU MDX 4.50 (# 1541:20 Single
Ambig)
&rst
ixpk= 1541, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4=
7.78,
igr1= 282, 263, 301,
igr2= 272, 273, 274, 276, 277, 278,
&end
#
# 129 LYS HA 21 LEU MDX 3.50 (# 1542:20 Unique
2.35, 4.12 A)
&rst
ixpk= 1542, nxpk= 20, iat=1945, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr2= 272, 273, 274, 276, 277, 278,
&end
#
# 0 AMB 20-2:1543 21 LEU MDX 4.50 (# 1543:20 Single
Ambig)
&rst
ixpk= 1543, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4=
8.14,
igr1= 339, 340, 339, 340,
igr2= 272, 273, 274, 276, 277, 278,
&end
#
# 0 AMB 20-2:1544 21 LEU MDX 2.80 (# 1544:20 Single
Ambig)
&rst
ixpk= 1544, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4=
5.44,
igr1= 270, 267, 268,1950,1951,
igr2= 272, 273, 274, 276, 277, 278,
&end
#
# 0 AMB 20-2:1545 101 LEU MDX 4.50 (# 1545:20 Single
Ambig)
&rst
ixpk= 1545, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1=1492,1475,
igr2=1501,1502,1503,1505,1506,1507,
&end
#
# 47 ILE HA 101 LEU MDX 4.50 (# 1546:20 Unique
2.12, 3.80 A)
&rst
ixpk= 1546, nxpk= 20, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr2=1501,1502,1503,1505,1506,1507,
&end
#
# 0 AMB 20-2:1547 101 LEU MDX 2.80 (# 1547:20 Single
Ambig)
&rst
ixpk= 1547, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4=
5.03,
igr1=1499, 633, 634,
igr2=1501,1502,1503,1505,1506,1507,
&end
#
# 139 LEU HN 139 LEU HG 4.50 (# 1548:20 Unique
2.42, 3.45 A)
&rst
ixpk= 1548, nxpk= 20, iat=2110,2117, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 136 TYR HA 139 LEU HG 4.50 (# 1549:20 Unique
2.45, 3.39 A)
&rst
ixpk= 1549, nxpk= 20, iat=2050,2117, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 139 LEU HB+ 139 LEU HG 4.50 (# 1550:20 Unique
2.19, 2.41 A)
&rst
ixpk= 1550, nxpk= 20, iat= -1,2117, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=2114,2115,
&end
#
# 0 AMB 20-2:1551 139 LEU HG 4.50 (# 1551:20 Single
Ambig)
&rst
ixpk= 1551, nxpk= 20, iat= -1,2117, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1= 410, 411, 291, 292, 293, 295, 296, 297,
&end
#
# 139 LEU MDX 139 LEU HG 2.80 (# 1552:20 Unique
2.29, 2.65 A)
&rst
ixpk= 1552, nxpk= 20, iat= -1,2117, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1=2119,2120,2121,2123,2124,2125,
&end
#
# 139 LEU MDY 139 LEU HG 3.50 (# 1553:20 Unique
2.29, 2.65 A)
&rst
ixpk= 1553, nxpk= 20, iat= -1,2117, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1=2119,2120,2121,2123,2124,2125,
&end
#
# 44 GLU HA 97 LEU MDX 3.50 (# 1554:20 Unique
2.25, 4.18 A)
&rst
ixpk= 1554, nxpk= 20, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr2=1434,1435,1436,1438,1439,1440,
&end
#
# 97 LEU HA 97 LEU MDX 3.50 (# 1555:20 Unique
2.62, 4.26 A)
&rst
ixpk= 1555, nxpk= 20, iat=1427, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr2=1434,1435,1436,1438,1439,1440,
&end
#
# 0 AMB 20-2:1556 97 LEU MDX 2.80 (# 1556:20 Single
Ambig)
&rst
ixpk= 1556, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4=
5.84,
igr1= 575, 576, 575, 576, 572, 573, 572, 573,
igr2=1434,1435,1436,1438,1439,1440,
&end
#
# 0 AMB 20-2:1557 97 LEU MDX 3.50 (# 1557:20 Single
Ambig)
&rst
ixpk= 1557, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4=
6.44,
igr1=1429,1430,1454,1455,
igr2=1434,1435,1436,1438,1439,1440,
&end
#
# 97 LEU HG 97 LEU MDX 3.50 (# 1558:20 Unique
2.34, 2.64 A)
&rst
ixpk= 1558, nxpk= 20, iat=1432, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr2=1434,1435,1436,1438,1439,1440,
&end
#
# 6 LEU HA 6 LEU MDX 4.50 (# 1559:20 Unique
2.22, 3.91 A)
&rst
ixpk= 1559, nxpk= 20, iat= 84, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr2= 91, 92, 93, 95, 96, 97,
&end
#
# 44 GLU HA 97 LEU MDY 4.50 (# 1560:20 Unique
2.25, 4.18 A)
&rst
ixpk= 1560, nxpk= 20, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr2=1434,1435,1436,1438,1439,1440,
&end
#
# 97 LEU HA 97 LEU MDY 4.50 (# 1561:20 Unique
2.62, 4.26 A)
&rst
ixpk= 1561, nxpk= 20, iat=1427, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr2=1434,1435,1436,1438,1439,1440,
&end
#
# 98 ILE HA 97 LEU MDY 3.50 (# 1562:20 Unique
2.57, 5.20 A)
&rst
ixpk= 1562, nxpk= 20, iat=1446, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr2=1434,1435,1436,1438,1439,1440,
&end
#
# 0 AMB 20-2:1563 0 AMB 20-1:1563 2.80 (# 1563:20 Double
Ambig)
&rst
ixpk= 1563, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4=
6.91,
igr1= 575, 576, 575, 576, 575, 576, 572, 573, 572, 573,
86, 87,
igr2=1434,1435,1436,1438,1439,1440, 91, 92, 93, 95,
96, 97,
&end
#
# 0 AMB 20-2:1564 97 LEU MDY 2.80 (# 1564:20 Single
Ambig)
&rst
ixpk= 1564, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4=
5.03,
igr1=1432,1375,1376,
igr2=1434,1435,1436,1438,1439,1440,
&end
#
# 6 LEU HG 6 LEU MDX 2.80 (# 1565:20 Unique
2.30, 2.64 A)
&rst
ixpk= 1565, nxpk= 20, iat= 89, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr2= 91, 92, 93, 95, 96, 97,
&end
#
# 118 VAL MGX 115 PRO HG+ 3.50 (# 1568:20 Unique
3.34, 5.67 A)
&rst
ixpk= 1568, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1=1769,1770,1771,1773,1774,1775,
igr2=1722,1723,
&end
#
# 25 LYS HN 25 LYS HG- 4.50 (# 1569:20 Unique
2.22, 2.87 A)
&rst
ixpk= 1569, nxpk= 20, iat= 326, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 333, 334,
&end
#
# 0 AMB 20-2:1570 25 LYS HG- 4.50 (# 1570:20 Single
Ambig)
&rst
ixpk= 1570, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 328, 284,
igr2= 333, 334,
&end
#
# 25 LYS HB+ 25 LYS HG- 3.50 (# 1572:20 Unique
2.36, 2.75 A)
&rst
ixpk= 1572, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 330, 331,
igr2= 333, 334,
&end
#
# 0 AMB 20-2:1574 0 AMB 20-1:1574 3.50 (# 1574:20 Double
Ambig)
&rst
ixpk= 1574, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1= 328, 284,
igr2= 333, 334, 333, 334,
&end
#
# 25 LYS HB+ 25 LYS HG+ 3.50 (# 1576:20 Unique
2.36, 2.75 A)
&rst
ixpk= 1576, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 330, 331,
igr2= 333, 334,
&end
#
# 59 LEU HN 58 LEU MDY 3.50 (# 1577:20 Unique
1.86, 4.20 A)
&rst
ixpk= 1577, nxpk= 20, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr2= 830, 831, 832, 834, 835, 836,
&end
#
# 58 LEU HA 58 LEU MDY 3.50 (# 1578:20 Unique
2.36, 4.03 A)
&rst
ixpk= 1578, nxpk= 20, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr2= 830, 831, 832, 834, 835, 836,
&end
#
# 0 AMB 20-2:1579 58 LEU MDY 4.50 (# 1579:20 Single
Ambig)
&rst
ixpk= 1579, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1= 842, 49,
igr2= 830, 831, 832, 834, 835, 836,
&end
#
# 0 AMB 20-2:1580 58 LEU MDY 2.80 (# 1580:20 Single
Ambig)
&rst
ixpk= 1580, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4=
5.03,
igr1= 86, 87, 51,
igr2= 830, 831, 832, 834, 835, 836,
&end
#
# 58 LEU HG 58 LEU MDY 2.80 (# 1581:20 Unique
2.37, 2.64 A)
&rst
ixpk= 1581, nxpk= 20, iat= 828, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr2= 830, 831, 832, 834, 835, 836,
&end
#
# 85 PHE HD 94 LEU MDX 4.50 (# 1582:20 Unique
2.24, 6.08 A)
&rst
ixpk= 1582, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1=1235,1243,
igr2=1380,1381,1382,1384,1385,1386,
&end
#
# 94 LEU HA 94 LEU MDX 2.80 (# 1584:20 Unique
2.09, 3.75 A)
&rst
ixpk= 1584, nxpk= 20, iat=1373, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr2=1380,1381,1382,1384,1385,1386,
&end
#
# 62 ASP HB+ 94 LEU MDX 4.50 (# 1585:20 Unique
4.05, 6.51 A)
&rst
ixpk= 1585, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1= 898, 899,
igr2=1380,1381,1382,1384,1385,1386,
&end
#
# 94 LEU HG 94 LEU MDX 2.80 (# 1586:20 Unique
2.40, 2.67 A)
&rst
ixpk= 1586, nxpk= 20, iat=1378, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr2=1380,1381,1382,1384,1385,1386,
&end
#
# 94 LEU HB- 94 LEU MDX 3.50 (# 1587:20 Unique
2.42, 3.33 A)
&rst
ixpk= 1587, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1=1375,1376,
igr2=1380,1381,1382,1384,1385,1386,
&end
#
# 102 LYS HN 102 LYS HG+ 4.50 (# 1590:20 Unique
2.86, 3.81 A)
&rst
ixpk= 1590, nxpk= 20, iat=1511, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1518,1519,
&end
#
# 0 AMB 20-2:1591 0 AMB 20-1:1591 4.50 (# 1591:20 Double
Ambig)
&rst
ixpk= 1591, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4=
7.64,
igr1=1524,1525,1524,1525,
igr2=1518,1519,1518,1519,
&end
#
# 0 AMB 20-2:1593 0 AMB 20-1:1593 3.50 (# 1593:20 Double
Ambig)
&rst
ixpk= 1593, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1=1607,1608,1609,1611,1612,1613,1450,1451,1452,
igr2=1518,1519,1518,1519,
&end
#
# 0 AMB 20-2:1594 102 LYS HG- 3.50 (# 1594:20 Single
Ambig)
&rst
ixpk= 1594, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4=
5.64,
igr1=1515,1516,1605,1537,1538,
igr2=1518,1519,
&end
#
# 0 AMB 20-2:1595 102 LYS HG- 3.50 (# 1595:20 Single
Ambig)
&rst
ixpk= 1595, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1=1524,1525,1524,1525,
igr2=1518,1519,
&end
#
# 132 VAL HN 132 VAL MGY 2.80 (# 1596:20 Unique
2.34, 3.82 A)
&rst
ixpk= 1596, nxpk= 20, iat=1987, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr2=1993,1994,1995,1997,1998,1999,
&end
#
# 0 AMB 20-2:1597 132 VAL MGY 4.50 (# 1597:20 Single
Ambig)
&rst
ixpk= 1597, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1= 282, 263,
igr2=1993,1994,1995,1997,1998,1999,
&end
#
# 0 AMB 20-2:1598 132 VAL MGY 4.50 (# 1598:20 Single
Ambig)
&rst
ixpk= 1598, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1=2003,1943,
igr2=1993,1994,1995,1997,1998,1999,
&end
#
# 18 ALA HA 132 VAL MGY 2.80 (# 1599:20 Unique
2.15, 3.66 A)
&rst
ixpk= 1599, nxpk= 20, iat= 234, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr2=1993,1994,1995,1997,1998,1999,
&end
#
# 132 VAL HA 132 VAL MGY 2.80 (# 1600:20 Unique
2.40, 3.12 A)
&rst
ixpk= 1600, nxpk= 20, iat=1989, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr2=1993,1994,1995,1997,1998,1999,
&end
#
# 0 AMB 20-2:1601 132 VAL MGY 4.50 (# 1601:20 Single
Ambig)
&rst
ixpk= 1601, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4=
8.68,
igr1= 286, 287, 339, 340, 339, 340,
igr2=1993,1994,1995,1997,1998,1999,
&end
#
# 132 VAL HB 132 VAL MGY 2.80 (# 1602:20 Unique
2.36, 2.68 A)
&rst
ixpk= 1602, nxpk= 20, iat=1991, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr2=1993,1994,1995,1997,1998,1999,
&end
#
# 0 AMB 20-2:1603 132 VAL MGY 3.50 (# 1603:20 Single
Ambig)
&rst
ixpk= 1603, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1=1981,1982,1983,1934,1935, 882,
igr2=1993,1994,1995,1997,1998,1999,
&end
#
# 0 AMB 20-2:1604 132 VAL MGY 2.80 (# 1604:20 Single
Ambig)
&rst
ixpk= 1604, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4=
5.72,
igr1= 286, 287, 236, 237, 238, 336, 337,
igr2=1993,1994,1995,1997,1998,1999,
&end
#
# 113 ILE QD1 132 VAL MGY 2.80 (# 1605:20 Unique
2.44, 4.54 A)
&rst
ixpk= 1605, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4=
5.03,
igr1=1695,1696,1697,
igr2=1993,1994,1995,1997,1998,1999,
&end
#
# 94 LEU HA 94 LEU MDY 3.50 (# 1606:20 Unique
2.09, 3.75 A)
&rst
ixpk= 1606, nxpk= 20, iat=1373, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr2=1380,1381,1382,1384,1385,1386,
&end
#
# 94 LEU HG 94 LEU MDY 2.80 (# 1607:20 Unique
2.40, 2.67 A)
&rst
ixpk= 1607, nxpk= 20, iat=1378, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr2=1380,1381,1382,1384,1385,1386,
&end
#
# 94 LEU HB- 94 LEU MDY 3.50 (# 1608:20 Unique
2.42, 3.33 A)
&rst
ixpk= 1608, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1=1375,1376,
igr2=1380,1381,1382,1384,1385,1386,
&end
#
# 5 LEU HA 59 LEU MDX 4.50 (# 1610:20 Unique
3.46, 5.59 A)
&rst
ixpk= 1610, nxpk= 20, iat= 65, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr2= 849, 850, 851, 853, 854, 855,
&end
#
# 0 AMB 20-2:1611 59 LEU MDX 4.50 (# 1611:20 Single
Ambig)
&rst
ixpk= 1611, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4=
7.78,
igr1=1621,1660,1661,
igr2= 849, 850, 851, 853, 854, 855,
&end
#
# 59 LEU HB+ 59 LEU MDX 2.80 (# 1612:20 Unique
2.38, 3.35 A)
&rst
ixpk= 1612, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4=
4.74,
igr1= 844, 845,
igr2= 849, 850, 851, 853, 854, 855,
&end
#
# 0 AMB 20-2:1613 59 LEU MDX 4.50 (# 1613:20 Single
Ambig)
&rst
ixpk= 1613, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4=
9.68,
igr1=2038,2039,2040,2042,2043,2044, 291, 292, 293, 295,
296, 297,
igr2= 849, 850, 851, 853, 854, 855,
&end
#
# 0 AMB 20-2:1614 59 LEU MDX 3.50 (# 1614:20 Single
Ambig)
&rst
ixpk= 1614, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.32, r4=
7.82,
igr1= 844, 845,2119,2120,2121,2123,2124,2125,1665,1666,
1667,1669,1670,1671,
igr2= 849, 850, 851, 853, 854, 855,
&end
#
# 139 LEU MDY 59 LEU MDX 2.80 (# 1616:20 Unique
2.56, 5.55 A)
&rst
ixpk= 1616, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4=
5.59,
igr1=2119,2120,2121,2123,2124,2125,
igr2= 849, 850, 851, 853, 854, 855,
&end
#
# 151 LEU HA 151 LEU MDY 2.80 (# 1617:20 Unique
2.18, 3.80 A)
&rst
ixpk= 1617, nxpk= 20, iat=2274, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr2=2281,2282,2283,2285,2286,2287,
&end
#
# 31 LYS HA 31 LYS HG+ 4.50 (# 1618:20 Unique
2.90, 3.58 A)
&rst
ixpk= 1618, nxpk= 20, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 410, 411,
&end
#
# 0 AMB 20-2:1619 0 AMB 20-1:1619 3.50 (# 1619:20 Double
Ambig)
&rst
ixpk= 1619, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4=
6.06,
igr1= 413, 414, 407, 408,
igr2= 410, 411, 410, 411,
&end
#
# 0 AMB 20-2:1621 151 LEU MDY 2.80 (# 1621:20 Single
Ambig)
&rst
ixpk= 1621, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4=
5.03,
igr1=2279,1107,1108,
igr2=2281,2282,2283,2285,2286,2287,
&end
#
# 136 TYR HN 135 VAL MGY 5.50 (# 1623:20 Unique
2.38, 4.23 A)
&rst
ixpk= 1623, nxpk= 20, iat=2048, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2=2038,2039,2040,2042,2043,2044,
&end
#
# 135 VAL HN 135 VAL MGY 2.80 (# 1624:20 Unique
1.98, 3.76 A)
&rst
ixpk= 1624, nxpk= 20, iat=2032, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr2=2038,2039,2040,2042,2043,2044,
&end
#
# 134 THR HB 135 VAL MGY 4.50 (# 1627:20 Unique
3.54, 6.10 A)
&rst
ixpk= 1627, nxpk= 20, iat=2022, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr2=2038,2039,2040,2042,2043,2044,
&end
#
# 135 VAL HA 135 VAL MGY 2.80 (# 1628:20 Unique
2.49, 3.31 A)
&rst
ixpk= 1628, nxpk= 20, iat=2034, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr2=2038,2039,2040,2042,2043,2044,
&end
#
# 132 VAL HA 135 VAL MGY 4.50 (# 1629:20 Unique
2.03, 4.42 A)
&rst
ixpk= 1629, nxpk= 20, iat=1989, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr2=2038,2039,2040,2042,2043,2044,
&end
#
# 135 VAL HB 135 VAL MGY 2.80 (# 1630:20 Unique
2.35, 2.65 A)
&rst
ixpk= 1630, nxpk= 20, iat=2036, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr2=2038,2039,2040,2042,2043,2044,
&end
#
# 0 AMB 20-2:1631 135 VAL MGY 2.80 (# 1631:20 Single
Ambig)
&rst
ixpk= 1631, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4=
6.21,
igr1=1665,1666,1667,1669,1670,1671, 884, 885, 886, 888,
889, 890,
igr2=2038,2039,2040,2042,2043,2044,
&end
#
# 73 ILE QG2 135 VAL MGY 4.50 (# 1632:20 Unique
2.26, 5.02 A)
&rst
ixpk= 1632, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4=
7.78,
igr1=1041,1042,1043,
igr2=2038,2039,2040,2042,2043,2044,
&end
#
# 60 ILE HN 59 LEU MDY 3.50 (# 1633:20 Unique
1.94, 4.29 A)
&rst
ixpk= 1633, nxpk= 20, iat= 859, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr2= 849, 850, 851, 853, 854, 855,
&end
#
# 142 TRP HZ2 59 LEU MDY 4.50 (# 1634:20 Unique
2.48, 4.89 A)
&rst
ixpk= 1634, nxpk= 20, iat=2164, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr2= 849, 850, 851, 853, 854, 855,
&end
#
# 59 LEU HA 59 LEU MDY 3.50 (# 1635:20 Unique
2.32, 4.01 A)
&rst
ixpk= 1635, nxpk= 20, iat= 842, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr2= 849, 850, 851, 853, 854, 855,
&end
#
# 0 AMB 20-2:1636 59 LEU MDY 2.80 (# 1636:20 Single
Ambig)
&rst
ixpk= 1636, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4=
5.03,
igr1=1621,1660,1661,
igr2= 849, 850, 851, 853, 854, 855,
&end
#
# 0 AMB 20-2:1637 59 LEU MDY 4.50 (# 1637:20 Single
Ambig)
&rst
ixpk= 1637, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4=
7.78,
igr1=1627,1628, 863,
igr2= 849, 850, 851, 853, 854, 855,
&end
#
# 0 AMB 20-2:1638 59 LEU MDY 2.80 (# 1638:20 Single
Ambig)
&rst
ixpk= 1638, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4=
5.84,
igr1=1623,1624,1625,1660,1661,1630,1631,1632,
igr2= 849, 850, 851, 853, 854, 855,
&end
#
# 0 AMB 20-2:1639 59 LEU MDY 2.80 (# 1639:20 Single
Ambig)
&rst
ixpk= 1639, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4=
6.36,
igr1= 844, 845,2119,2120,2121,2123,2124,2125,1665,1666,
1667,1669,1670,1671,
igr2= 849, 850, 851, 853, 854, 855,
&end
#
# 0 AMB 20-2:1641 101 LEU MDY 5.50 (# 1641:20 Single
Ambig)
&rst
ixpk= 1641, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4=
9.84,
igr1= 697, 698, 697, 698,
igr2=1501,1502,1503,1505,1506,1507,
&end
#
# 136 TYR HN 22 LEU MDY 4.50 (# 1642:20 Unique
3.34, 4.98 A)
&rst
ixpk= 1642, nxpk= 20, iat=2048, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr2= 291, 292, 293, 295, 296, 297,
&end
#
# 136 TYR HD 22 LEU MDY 3.50 (# 1643:20 Unique
2.41, 6.35 A)
&rst
ixpk= 1643, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1=2056,2065,
igr2= 291, 292, 293, 295, 296, 297,
&end
#
# 136 TYR HA 22 LEU MDY 2.80 (# 1644:20 Unique
2.35, 4.27 A)
&rst
ixpk= 1644, nxpk= 20, iat=2050, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr2= 291, 292, 293, 295, 296, 297,
&end
#
# 0 AMB 20-2:1645 22 LEU MDY 2.80 (# 1645:20 Single
Ambig)
&rst
ixpk= 1645, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4=
4.74,
igr1= 303, 284,
igr2= 291, 292, 293, 295, 296, 297,
&end
#
# 136 TYR HB+ 22 LEU MDY 3.50 (# 1646:20 Unique
2.31, 4.92 A)
&rst
ixpk= 1646, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1=2052,2053,
igr2= 291, 292, 293, 295, 296, 297,
&end
#
# 136 TYR HB- 22 LEU MDY 3.50 (# 1647:20 Unique
2.31, 4.92 A)
&rst
ixpk= 1647, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1=2052,2053,
igr2= 291, 292, 293, 295, 296, 297,
&end
#
# 22 LEU HB+ 22 LEU MDY 3.50 (# 1649:20 Unique
2.23, 3.25 A)
&rst
ixpk= 1649, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1= 286, 287,
igr2= 291, 292, 293, 295, 296, 297,
&end
#
# 0 AMB 20-2:1650 22 LEU MDY 2.80 (# 1650:20 Single
Ambig)
&rst
ixpk= 1650, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4=
5.84,
igr1=2119,2120,2121,2123,2124,2125, 330, 331,
igr2= 291, 292, 293, 295, 296, 297,
&end
#
# 4 VAL HN 4 VAL MGY 4.50 (# 1652:20 Unique
2.18, 4.18 A)
&rst
ixpk= 1652, nxpk= 20, iat= 47, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr2= 53, 54, 55, 57, 58, 59,
&end
#
# 4 VAL HA 4 VAL MGY 3.50 (# 1653:20 Unique
2.38, 3.19 A)
&rst
ixpk= 1653, nxpk= 20, iat= 49, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr2= 53, 54, 55, 57, 58, 59,
&end
#
# 55 PRO HA 4 VAL MGY 4.50 (# 1654:20 Unique
3.00, 5.38 A)
&rst
ixpk= 1654, nxpk= 20, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr2= 53, 54, 55, 57, 58, 59,
&end
#
# 0 AMB 20-2:1655 4 VAL MGY 4.50 (# 1655:20 Single
Ambig)
&rst
ixpk= 1655, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4=
7.78,
igr1= 670, 770, 771,
igr2= 53, 54, 55, 57, 58, 59,
&end
#
# 55 PRO HB+ 4 VAL MGY 2.80 (# 1656:20 Unique
2.15, 4.66 A)
&rst
ixpk= 1656, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4=
4.74,
igr1= 776, 777,
igr2= 53, 54, 55, 57, 58, 59,
&end
#
# 0 AMB 20-2:1657 4 VAL MGY 2.80 (# 1657:20 Single
Ambig)
&rst
ixpk= 1657, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4=
5.44,
igr1= 773, 774, 51, 86, 87,
igr2= 53, 54, 55, 57, 58, 59,
&end
#
# 0 AMB 20-2:1658 4 VAL MGY 3.50 (# 1658:20 Single
Ambig)
&rst
ixpk= 1658, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 773, 774, 506,
igr2= 53, 54, 55, 57, 58, 59,
&end
#
# 53 LEU HN 53 LEU MDY 4.50 (# 1659:20 Unique
2.84, 4.36 A)
&rst
ixpk= 1659, nxpk= 20, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr2= 735, 736, 737, 739, 740, 741,
&end
#
# 0 AMB 20-2:1660 53 LEU MDY 3.50 (# 1660:20 Single
Ambig)
&rst
ixpk= 1660, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 773, 774, 506,
igr2= 735, 736, 737, 739, 740, 741,
&end
#
# 0 AMB 20-2:1661 101 LEU MDY 4.50 (# 1661:20 Single
Ambig)
&rst
ixpk= 1661, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1=1492,1475,
igr2=1501,1502,1503,1505,1506,1507,
&end
#
# 101 LEU HA 101 LEU MDY 2.80 (# 1662:20 Unique
2.19, 3.88 A)
&rst
ixpk= 1662, nxpk= 20, iat=1494, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr2=1501,1502,1503,1505,1506,1507,
&end
#
# 51 ARG HA 101 LEU MDY 4.50 (# 1663:20 Unique
2.73, 5.65 A)
&rst
ixpk= 1663, nxpk= 20, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr2=1501,1502,1503,1505,1506,1507,
&end
#
# 47 ILE HA 101 LEU MDY 4.50 (# 1664:20 Unique
2.12, 3.80 A)
&rst
ixpk= 1664, nxpk= 20, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr2=1501,1502,1503,1505,1506,1507,
&end
#
# 0 AMB 20-2:1665 101 LEU MDY 2.80 (# 1665:20 Single
Ambig)
&rst
ixpk= 1665, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4=
5.03,
igr1=1499, 633, 634,
igr2=1501,1502,1503,1505,1506,1507,
&end
#
# 6 LEU HN 5 LEU MDY 3.50 (# 1666:20 Unique
2.13, 4.53 A)
&rst
ixpk= 1666, nxpk= 20, iat= 82, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr2= 72, 73, 74, 76, 77, 78,
&end
#
# 5 LEU HA 5 LEU MDY 3.50 (# 1667:20 Unique
2.30, 3.96 A)
&rst
ixpk= 1667, nxpk= 20, iat= 65, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr2= 72, 73, 74, 76, 77, 78,
&end
#
# 5 LEU HB+ 5 LEU MDY 3.50 (# 1668:20 Unique
2.34, 3.35 A)
&rst
ixpk= 1668, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1= 67, 68,
igr2= 72, 73, 74, 76, 77, 78,
&end
#
# 22 LEU HG 5 LEU MDY 4.50 (# 1669:20 Unique
2.89, 4.53 A)
&rst
ixpk= 1669, nxpk= 20, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr2= 72, 73, 74, 76, 77, 78,
&end
#
# 5 LEU HG 5 LEU MDY 2.80 (# 1670:20 Unique
2.27, 2.65 A)
&rst
ixpk= 1670, nxpk= 20, iat= 70, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr2= 72, 73, 74, 76, 77, 78,
&end
#
# 0 AMB 20-2:1671 5 LEU MDY 2.80 (# 1671:20 Single
Ambig)
&rst
ixpk= 1671, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4=
6.21,
igr1= 291, 292, 293, 295, 296, 297, 492, 493, 494, 496,
497, 498,
igr2= 72, 73, 74, 76, 77, 78,
&end
#
# 0 AMB 20-2:1672 5 LEU MDY 2.80 (# 1672:20 Single
Ambig)
&rst
ixpk= 1672, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4=
6.36,
igr1=2119,2120,2121,2123,2124,2125, 884, 885, 886, 888,
889, 890, 844, 845,
igr2= 72, 73, 74, 76, 77, 78,
&end
#
# 139 LEU MDY 5 LEU MDY 4.50 (# 1675:20 Unique
2.17, 4.90 A)
&rst
ixpk= 1675, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4=
8.68,
igr1=2119,2120,2121,2123,2124,2125,
igr2= 72, 73, 74, 76, 77, 78,
&end
#
# 59 LEU MDX 5 LEU MDY 2.80 (# 1676:20 Unique
2.26, 6.12 A)
&rst
ixpk= 1676, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4=
5.59,
igr1= 849, 850, 851, 853, 854, 855,
igr2= 72, 73, 74, 76, 77, 78,
&end
#
# 56 THR HN 56 THR MG2 5.50 (# 1677:20 Unique
4.02, 4.36 A)
&rst
ixpk= 1677, nxpk= 20, iat= 783, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2= 789, 790, 791,
&end
#
# 56 THR HA 56 THR MG2 2.80 (# 1678:20 Unique
2.45, 3.22 A)
&rst
ixpk= 1678, nxpk= 20, iat= 785, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr2= 789, 790, 791,
&end
#
# 56 THR HB 56 THR MG2 2.80 (# 1679:20 Unique
2.24, 2.61 A)
&rst
ixpk= 1679, nxpk= 20, iat= 787, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr2= 789, 790, 791,
&end
#
# 48 VAL HN 48 VAL MGY 2.80 (# 1680:20 Unique
1.94, 3.68 A)
&rst
ixpk= 1680, nxpk= 20, iat= 642, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr2= 648, 649, 650, 652, 653, 654,
&end
#
# 49 ALA HN 48 VAL MGY 4.50 (# 1681:20 Unique
3.86, 4.71 A)
&rst
ixpk= 1681, nxpk= 20, iat= 658, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr2= 648, 649, 650, 652, 653, 654,
&end
#
# 48 VAL HA 48 VAL MGY 2.80 (# 1682:20 Unique
2.49, 3.18 A)
&rst
ixpk= 1682, nxpk= 20, iat= 644, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr2= 648, 649, 650, 652, 653, 654,
&end
#
# 0 AMB 20-2:1683 48 VAL MGY 2.80 (# 1683:20 Single
Ambig)
&rst
ixpk= 1683, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4=
5.44,
igr1= 646, 715, 716, 715, 716,
igr2= 648, 649, 650, 652, 653, 654,
&end
#
# 0 AMB 20-2:1684 21 LEU MDY 2.80 (# 1684:20 Single
Ambig)
&rst
ixpk= 1684, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4=
5.44,
igr1=1991, 315, 316, 315, 316,
igr2= 272, 273, 274, 276, 277, 278,
&end
#
# 53 LEU HA 53 LEU MDY 2.80 (# 1685:20 Unique
2.11, 3.60 A)
&rst
ixpk= 1685, nxpk= 20, iat= 728, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr2= 735, 736, 737, 739, 740, 741,
&end
#
# 0 AMB 20-2:1686 53 LEU MDY 2.80 (# 1686:20 Single
Ambig)
&rst
ixpk= 1686, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4=
5.03,
igr1= 733, 773, 774,
igr2= 735, 736, 737, 739, 740, 741,
&end
#
# 39 GLY HN 6 LEU MDY 4.50 (# 1687:20 Unique
2.20, 4.27 A)
&rst
ixpk= 1687, nxpk= 20, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr2= 91, 92, 93, 95, 96, 97,
&end
#
# 0 AMB 20-2:1688 6 LEU MDY 3.50 (# 1688:20 Single
Ambig)
&rst
ixpk= 1688, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1= 101, 521,
igr2= 91, 92, 93, 95, 96, 97,
&end
#
# 6 LEU HA 6 LEU MDY 2.80 (# 1689:20 Unique
2.22, 3.91 A)
&rst
ixpk= 1689, nxpk= 20, iat= 84, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr2= 91, 92, 93, 95, 96, 97,
&end
#
# 39 GLY HA- 6 LEU MDY 3.50 (# 1690:20 Unique
2.21, 4.69 A)
&rst
ixpk= 1690, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1= 535, 536,
igr2= 91, 92, 93, 95, 96, 97,
&end
#
# 46 ASP HB+ 6 LEU MDY 4.50 (# 1691:20 Unique
2.66, 4.50 A)
&rst
ixpk= 1691, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1= 615, 616,
igr2= 91, 92, 93, 95, 96, 97,
&end
#
# 0 AMB 20-2:1692 6 LEU MDY 4.50 (# 1692:20 Single
Ambig)
&rst
ixpk= 1692, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4=
8.68,
igr1= 575, 576, 575, 576, 86, 87,
igr2= 91, 92, 93, 95, 96, 97,
&end
#
# 37 ILE HB 6 LEU MDY 4.50 (# 1693:20 Unique
3.11, 4.85 A)
&rst
ixpk= 1693, nxpk= 20, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr2= 91, 92, 93, 95, 96, 97,
&end
#
# 6 LEU HG 6 LEU MDY 2.80 (# 1694:20 Unique
2.30, 2.64 A)
&rst
ixpk= 1694, nxpk= 20, iat= 89, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr2= 91, 92, 93, 95, 96, 97,
&end
#
# 117 ILE HN 125 THR MG2 4.50 (# 1695:20 Unique
3.53, 4.54 A)
&rst
ixpk= 1695, nxpk= 20, iat=1744, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr2=1885,1886,1887,
&end
#
# 125 THR HA 125 THR MG2 2.80 (# 1696:20 Unique
2.39, 3.05 A)
&rst
ixpk= 1696, nxpk= 20, iat=1881, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr2=1885,1886,1887,
&end
#
# 127 PRO HD- 125 THR MG2 5.50 (# 1697:20 Unique
2.70, 5.04 A)
&rst
ixpk= 1697, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1911,1912,
igr2=1885,1886,1887,
&end
#
# 116 ASP HB+ 125 THR MG2 4.50 (# 1698:20 Unique
2.44, 5.00 A)
&rst
ixpk= 1698, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1736,1737,
igr2=1885,1886,1887,
&end
#
# 116 ASP HB- 125 THR MG2 4.50 (# 1699:20 Unique
2.44, 5.00 A)
&rst
ixpk= 1699, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1736,1737,
igr2=1885,1886,1887,
&end
#
# 0 AMB 20-2:1700 125 THR MG2 3.50 (# 1700:20 Single
Ambig)
&rst
ixpk= 1700, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4=
6.44,
igr1=1914,1915,1852,1853,1852,1853,1006,1007,
igr2=1885,1886,1887,
&end
#
# 117 ILE HG1+ 125 THR MG2 3.50 (# 1701:20 Unique
2.12, 3.31 A)
&rst
ixpk= 1701, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1=1754,1755,
igr2=1885,1886,1887,
&end
#
# 117 ILE HG1- 125 THR MG2 2.80 (# 1702:20 Unique
2.12, 3.31 A)
&rst
ixpk= 1702, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1=1754,1755,
igr2=1885,1886,1887,
&end
#
# 117 ILE QG2 125 THR MG2 4.50 (# 1703:20 Unique
2.08, 3.70 A)
&rst
ixpk= 1703, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4=
6.99,
igr1=1750,1751,1752,
igr2=1885,1886,1887,
&end
#
# 125 THR HN 125 THR MG2 4.50 (# 1704:20 Unique
2.31, 3.54 A)
&rst
ixpk= 1704, nxpk= 20, iat=1879, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr2=1885,1886,1887,
&end
#
# 0 AMB 20-2:1705 21 LEU MDY 4.50 (# 1705:20 Single
Ambig)
&rst
ixpk= 1705, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4=
7.78,
igr1= 282, 263, 301,
igr2= 272, 273, 274, 276, 277, 278,
&end
#
# 21 LEU HA 21 LEU MDY 2.80 (# 1706:20 Unique
2.30, 3.86 A)
&rst
ixpk= 1706, nxpk= 20, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr2= 272, 273, 274, 276, 277, 278,
&end
#
# 0 AMB 20-2:1707 21 LEU MDY 3.50 (# 1707:20 Single
Ambig)
&rst
ixpk= 1707, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4=
6.44,
igr1= 339, 340, 339, 340,
igr2= 272, 273, 274, 276, 277, 278,
&end
#
# 0 AMB 20-2:1708 21 LEU MDY 2.80 (# 1708:20 Single
Ambig)
&rst
ixpk= 1708, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4=
5.03,
igr1= 270, 267, 268,
igr2= 272, 273, 274, 276, 277, 278,
&end
#
# 0 AMB 20-2:1709 135 VAL MGX 4.50 (# 1709:20 Single
Ambig)
&rst
ixpk= 1709, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1=2050,2020,
igr2=2038,2039,2040,2042,2043,2044,
&end
#
# 132 VAL HN 132 VAL MGX 4.50 (# 1710:20 Unique
2.34, 3.82 A)
&rst
ixpk= 1710, nxpk= 20, iat=1987, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr2=1993,1994,1995,1997,1998,1999,
&end
#
# 0 AMB 20-2:1711 132 VAL MGX 3.50 (# 1711:20 Single
Ambig)
&rst
ixpk= 1711, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1= 282, 263,
igr2=1993,1994,1995,1997,1998,1999,
&end
#
# 0 AMB 20-2:1712 0 AMB 20-1:1712 4.50 (# 1712:20 Double
Ambig)
&rst
ixpk= 1712, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4=
8.68,
igr1=2005,1979, 265,
igr2=1993,1994,1995,1997,1998,1999,2038,2039,2040,2042,
2043,2044,
&end
#
# 0 AMB 20-2:1713 132 VAL MGX 2.80 (# 1713:20 Single
Ambig)
&rst
ixpk= 1713, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4=
4.74,
igr1= 284,1926,
igr2=1993,1994,1995,1997,1998,1999,
&end
#
# 132 VAL HA 0 AMB 20-1:1714 2.80 (# 1714:20 Single
Ambig)
&rst
ixpk= 1714, nxpk= 20, iat=1989, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4=
4.74,
igr2=2038,2039,2040,2042,2043,2044,1993,1994,1995,1997,
1998,1999,
&end
#
# 0 AMB 20-2:1715 132 VAL MGX 2.80 (# 1715:20 Single
Ambig)
&rst
ixpk= 1715, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4=
5.59,
igr1= 286, 287, 339, 340, 339, 340,
igr2=1993,1994,1995,1997,1998,1999,
&end
#
# 0 AMB 20-2:1716 0 AMB 20-1:1716 3.50 (# 1716:20 Double
Ambig)
&rst
ixpk= 1716, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4=
7.17,
igr1=1692,1693,1950,1951,
igr2=2038,2039,2040,2042,2043,2044,1993,1994,1995,1997,
1998,1999,
&end
#
# 48 VAL HN 101 LEU MDY 5.50 (# 1718:20 Unique
5.26, 6.97 A)
&rst
ixpk= 1718, nxpk= 20, iat= 642, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2=1501,1502,1503,1505,1506,1507,
&end
#
# 0 AMB 20-2:1719 134 THR MG2 4.50 (# 1719:20 Single
Ambig)
&rst
ixpk= 1719, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1=2018,2081,2082,2069,
igr2=2024,2025,2026,
&end
#
# 135 VAL HN 134 THR MG2 4.50 (# 1720:20 Unique
3.05, 4.09 A)
&rst
ixpk= 1720, nxpk= 20, iat=2032, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr2=2024,2025,2026,
&end
#
# 134 THR HB 134 THR MG2 2.80 (# 1723:20 Unique
2.31, 2.59 A)
&rst
ixpk= 1723, nxpk= 20, iat=2022, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr2=2024,2025,2026,
&end
#
# 131 ALA HA 134 THR MG2 4.50 (# 1724:20 Unique
3.44, 4.09 A)
&rst
ixpk= 1724, nxpk= 20, iat=1979, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr2=2024,2025,2026,
&end
#
# 134 THR HA 134 THR MG2 3.50 (# 1725:20 Unique
2.63, 3.41 A)
&rst
ixpk= 1725, nxpk= 20, iat=2020, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr2=2024,2025,2026,
&end
#
# 135 VAL HA 134 THR MG2 4.50 (# 1726:20 Unique
3.56, 4.56 A)
&rst
ixpk= 1726, nxpk= 20, iat=2034, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr2=2024,2025,2026,
&end
#
# 0 AMB 20-2:1728 2 THR MG2 3.50 (# 1728:20 Single
Ambig)
&rst
ixpk= 1728, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 35, 21,
igr2= 27, 28, 29,
&end
#
# 0 AMB 20-2:1729 88 THR MG2 4.50 (# 1729:20 Single
Ambig)
&rst
ixpk= 1729, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1295,1309,
igr2=1287,1288,1289,
&end
#
# 88 THR HN 88 THR MG2 4.50 (# 1730:20 Unique
1.82, 2.91 A)
&rst
ixpk= 1730, nxpk= 20, iat=1281, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr2=1287,1288,1289,
&end
#
# 0 AMB 20-2:1731 88 THR MG2 2.80 (# 1731:20 Single
Ambig)
&rst
ixpk= 1731, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1=1285, 918,
igr2=1287,1288,1289,
&end
#
# 2 THR HB 2 THR MG2 2.80 (# 1732:20 Unique
2.44, 2.68 A)
&rst
ixpk= 1732, nxpk= 20, iat= 25, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr2= 27, 28, 29,
&end
#
# 2 THR HA 2 THR MG2 3.50 (# 1733:20 Unique
2.38, 3.03 A)
&rst
ixpk= 1733, nxpk= 20, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr2= 27, 28, 29,
&end
#
# 0 AMB 20-2:1734 89 THR MG2 4.50 (# 1734:20 Single
Ambig)
&rst
ixpk= 1734, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1295,1309,
igr2=1301,1302,1303,
&end
#
# 0 AMB 20-2:1735 89 THR MG2 2.80 (# 1735:20 Single
Ambig)
&rst
ixpk= 1735, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1=1299,1297,
igr2=1301,1302,1303,
&end
#
# 37 ILE HN 36 VAL MGY 4.50 (# 1736:20 Unique
2.74, 4.41 A)
&rst
ixpk= 1736, nxpk= 20, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr2= 492, 493, 494, 496, 497, 498,
&end
#
# 5 LEU HN 36 VAL MGY 4.50 (# 1737:20 Unique
4.87, 5.96 A)
&rst
ixpk= 1737, nxpk= 20, iat= 63, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr2= 492, 493, 494, 496, 497, 498,
&end
#
# 36 VAL HN 36 VAL MGY 2.80 (# 1738:20 Unique
1.85, 3.70 A)
&rst
ixpk= 1738, nxpk= 20, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr2= 492, 493, 494, 496, 497, 498,
&end
#
# 26 CYS HB- 36 VAL MGY 2.80 (# 1739:20 Unique
2.02, 3.50 A)
&rst
ixpk= 1739, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4=
4.74,
igr1= 352, 353,
igr2= 492, 493, 494, 496, 497, 498,
&end
#
# 26 CYS HB+ 36 VAL MGY 2.80 (# 1740:20 Unique
2.02, 3.50 A)
&rst
ixpk= 1740, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4=
4.74,
igr1= 352, 353,
igr2= 492, 493, 494, 496, 497, 498,
&end
#
# 5 LEU MDX 36 VAL MGY 2.80 (# 1741:20 Unique
2.30, 5.75 A)
&rst
ixpk= 1741, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4=
5.59,
igr1= 72, 73, 74, 76, 77, 78,
igr2= 492, 493, 494, 496, 497, 498,
&end
#
# 0 AMB 20-2:1742 0 AMB 20-1:1742 2.80 (# 1742:20 Double
Ambig)
&rst
ixpk= 1742, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4=
5.26,
igr1= 488, 215,
igr2= 492, 493, 494, 496, 497, 498,1769,1770,1771,1773,
1774,1775,
&end
#
# 0 AMB 20-2:1743 36 VAL MGY 3.50 (# 1743:20 Single
Ambig)
&rst
ixpk= 1743, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1= 472, 504,
igr2= 492, 493, 494, 496, 497, 498,
&end
#
# 8 VAL HA 8 VAL MGY 2.80 (# 1746:20 Unique
2.44, 3.19 A)
&rst
ixpk= 1746, nxpk= 20, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr2= 118, 119, 120, 122, 123, 124,
&end
#
# 0 AMB 20-2:1747 8 VAL MGY 3.50 (# 1747:20 Single
Ambig)
&rst
ixpk= 1747, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4=
6.44,
igr1= 569, 570, 535, 536,
igr2= 118, 119, 120, 122, 123, 124,
&end
#
# 0 AMB 20-2:1748 8 VAL MGY 2.80 (# 1748:20 Single
Ambig)
&rst
ixpk= 1748, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4=
5.94,
igr1= 575, 576, 575, 576, 572, 573, 572, 573, 116,
igr2= 118, 119, 120, 122, 123, 124,
&end
#
# 102 LYS HA 108 VAL MGX 2.80 (# 1749:20 Unique
2.07, 3.75 A)
&rst
ixpk= 1749, nxpk= 20, iat=1513, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr2=1607,1608,1609,1611,1612,1613,
&end
#
# 108 VAL HN 108 VAL MGX 2.80 (# 1750:20 Unique
1.89, 4.19 A)
&rst
ixpk= 1750, nxpk= 20, iat=1601, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr2=1607,1608,1609,1611,1612,1613,
&end
#
# 68 LEU HN 68 LEU MDY 4.50 (# 1751:20 Unique
3.60, 4.50 A)
&rst
ixpk= 1751, nxpk= 20, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr2= 975, 976, 977, 979, 980, 981,
&end
#
# 72 GLU HG+ 68 LEU MDY 3.50 (# 1752:20 Unique
3.30, 5.45 A)
&rst
ixpk= 1752, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1=1027,1028,
igr2= 975, 976, 977, 979, 980, 981,
&end
#
# 0 AMB 20-2:1753 0 AMB 20-1:1753 2.80 (# 1753:20 Double
Ambig)
&rst
ixpk= 1753, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4=
5.84,
igr1= 970, 971, 67, 68,
igr2= 975, 976, 977, 979, 980, 981, 492, 493, 494, 496,
497, 498,
&end
#
# 0 AMB 20-2:1754 0 AMB 20-1:1754 2.80 (# 1754:20 Double
Ambig)
&rst
ixpk= 1754, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4=
6.21,
igr1= 973,1061,1062, 363, 364, 365,
igr2= 975, 976, 977, 979, 980, 981, 492, 493, 494, 496,
497, 498,
&end
#
# 68 LEU HA 68 LEU MDY 2.80 (# 1755:20 Unique
2.17, 3.84 A)
&rst
ixpk= 1755, nxpk= 20, iat= 968, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr2= 975, 976, 977, 979, 980, 981,
&end
#
# 135 VAL HN 135 VAL MGX 3.50 (# 1756:20 Unique
1.98, 3.76 A)
&rst
ixpk= 1756, nxpk= 20, iat=2032, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr2=2038,2039,2040,2042,2043,2044,
&end
#
# 135 VAL HA 135 VAL MGX 2.80 (# 1758:20 Unique
2.49, 3.31 A)
&rst
ixpk= 1758, nxpk= 20, iat=2034, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr2=2038,2039,2040,2042,2043,2044,
&end
#
# 0 AMB 20-2:1759 0 AMB 20-1:1759 2.80 (# 1759:20 Double
Ambig)
&rst
ixpk= 1759, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4=
5.59,
igr1=2036,2007,2008,
igr2=2038,2039,2040,2042,2043,2044,1993,1994,1995,1997,
1998,1999,
&end
#
# 0 AMB 20-2:1760 135 VAL MGX 2.80 (# 1760:20 Single
Ambig)
&rst
ixpk= 1760, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4=
6.21,
igr1=1665,1666,1667,1669,1670,1671, 884, 885, 886, 888,
889, 890,
igr2=2038,2039,2040,2042,2043,2044,
&end
#
# 139 LEU MDY 135 VAL MGX 3.50 (# 1761:20 Unique
2.47, 6.35 A)
&rst
ixpk= 1761, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1=2119,2120,2121,2123,2124,2125,
igr2=2038,2039,2040,2042,2043,2044,
&end
#
# 0 AMB 20-2:1762 134 THR MG2 2.80 (# 1762:20 Single
Ambig)
&rst
ixpk= 1762, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4=
5.35,
igr1=1048,1049,1050,2038,2039,2040,2042,2043,2044,
igr2=2024,2025,2026,
&end
#
# 35 VAL HN 35 VAL MGX 3.50 (# 1763:20 Unique
1.99, 3.77 A)
&rst
ixpk= 1763, nxpk= 20, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr2= 476, 477, 478, 480, 481, 482,
&end
#
# 36 VAL HN 35 VAL MGX 4.50 (# 1764:20 Unique
3.09, 4.47 A)
&rst
ixpk= 1764, nxpk= 20, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr2= 476, 477, 478, 480, 481, 482,
&end
#
# 4 VAL HA 35 VAL MGX 5.50 (# 1765:20 Unique
3.78, 4.95 A)
&rst
ixpk= 1765, nxpk= 20, iat= 49, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 476, 477, 478, 480, 481, 482,
&end
#
# 35 VAL HA 35 VAL MGX 2.80 (# 1766:20 Unique
2.39, 3.14 A)
&rst
ixpk= 1766, nxpk= 20, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr2= 476, 477, 478, 480, 481, 482,
&end
#
# 35 VAL HB 35 VAL MGX 2.80 (# 1767:20 Unique
2.45, 2.67 A)
&rst
ixpk= 1767, nxpk= 20, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr2= 476, 477, 478, 480, 481, 482,
&end
#
# 118 VAL HN 118 VAL MGY 4.50 (# 1768:20 Unique
2.10, 4.37 A)
&rst
ixpk= 1768, nxpk= 20, iat=1763, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr2=1769,1770,1771,1773,1774,1775,
&end
#
# 16 ASP HN 118 VAL MGY 3.50 (# 1769:20 Unique
2.27, 4.05 A)
&rst
ixpk= 1769, nxpk= 20, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr2=1769,1770,1771,1773,1774,1775,
&end
#
# 119 GLY HN 118 VAL MGY 4.50 (# 1770:20 Unique
2.96, 4.29 A)
&rst
ixpk= 1770, nxpk= 20, iat=1779, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr2=1769,1770,1771,1773,1774,1775,
&end
#
# 118 VAL HA 118 VAL MGY 2.80 (# 1771:20 Unique
2.35, 3.20 A)
&rst
ixpk= 1771, nxpk= 20, iat=1765, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr2=1769,1770,1771,1773,1774,1775,
&end
#
# 15 ASP HB- 118 VAL MGY 2.80 (# 1772:20 Unique
2.30, 5.27 A)
&rst
ixpk= 1772, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4=
4.74,
igr1= 205, 206,
igr2=1769,1770,1771,1773,1774,1775,
&end
#
# 118 VAL HB 118 VAL MGY 2.80 (# 1774:20 Unique
2.41, 2.67 A)
&rst
ixpk= 1774, nxpk= 20, iat=1767, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr2=1769,1770,1771,1773,1774,1775,
&end
#
# 0 AMB 20-2:1775 0 AMB 20-1:1775 4.50 (# 1775:20 Double
Ambig)
&rst
ixpk= 1775, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4=
8.14,
igr1= 49, 84,
igr2= 476, 477, 478, 480, 481, 482, 118, 119, 120, 122,
123, 124,
&end
#
# 5 LEU HN 4 VAL MGX 3.50 (# 1776:20 Unique
2.52, 4.01 A)
&rst
ixpk= 1776, nxpk= 20, iat= 63, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr2= 53, 54, 55, 57, 58, 59,
&end
#
# 58 LEU HA 4 VAL MGX 5.50 (# 1777:20 Unique
2.14, 4.96 A)
&rst
ixpk= 1777, nxpk= 20, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 53, 54, 55, 57, 58, 59,
&end
#
# 0 AMB 20-2:1778 108 VAL MGY 3.50 (# 1778:20 Single
Ambig)
&rst
ixpk= 1778, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1=1617,1636,
igr2=1607,1608,1609,1611,1612,1613,
&end
#
# 36 VAL HN 36 VAL MGX 3.50 (# 1779:20 Unique
1.85, 3.70 A)
&rst
ixpk= 1779, nxpk= 20, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr2= 492, 493, 494, 496, 497, 498,
&end
#
# 0 AMB 20-2:1780 0 AMB 20-1:1780 3.50 (# 1780:20 Double
Ambig)
&rst
ixpk= 1780, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1= 359, 348,1533,
igr2= 492, 493, 494, 496, 497, 498,1607,1608,1609,1611,
1612,1613,
&end
#
# 108 VAL HA 108 VAL MGY 2.80 (# 1781:20 Unique
2.33, 3.14 A)
&rst
ixpk= 1781, nxpk= 20, iat=1603, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr2=1607,1608,1609,1611,1612,1613,
&end
#
# 0 AMB 20-2:1782 36 VAL MGX 4.50 (# 1782:20 Single
Ambig)
&rst
ixpk= 1782, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1= 472, 504,
igr2= 492, 493, 494, 496, 497, 498,
&end
#
# 0 AMB 20-2:1783 36 VAL MGX 2.80 (# 1783:20 Single
Ambig)
&rst
ixpk= 1783, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4=
5.03,
igr1= 303, 390, 391,
igr2= 492, 493, 494, 496, 497, 498,
&end
#
# 26 CYS HB- 36 VAL MGX 4.50 (# 1784:20 Unique
2.02, 3.50 A)
&rst
ixpk= 1784, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1= 352, 353,
igr2= 492, 493, 494, 496, 497, 498,
&end
#
# 26 CYS HB+ 36 VAL MGX 3.50 (# 1785:20 Unique
2.02, 3.50 A)
&rst
ixpk= 1785, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1= 352, 353,
igr2= 492, 493, 494, 496, 497, 498,
&end
#
# 0 AMB 20-2:1786 108 VAL MGY 2.80 (# 1786:20 Single
Ambig)
&rst
ixpk= 1786, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4=
5.44,
igr1= 825, 826,1515,1516,1605,
igr2=1607,1608,1609,1611,1612,1613,
&end
#
# 5 LEU MDX 36 VAL MGX 2.80 (# 1787:20 Unique
2.30, 5.75 A)
&rst
ixpk= 1787, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4=
5.59,
igr1= 72, 73, 74, 76, 77, 78,
igr2= 492, 493, 494, 496, 497, 498,
&end
#
# 8 VAL HN 8 VAL MGX 3.50 (# 1788:20 Unique
2.98, 4.30 A)
&rst
ixpk= 1788, nxpk= 20, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr2= 118, 119, 120, 122, 123, 124,
&end
#
# 42 ALA HN 8 VAL MGX 4.50 (# 1789:20 Unique
4.04, 6.06 A)
&rst
ixpk= 1789, nxpk= 20, iat= 558, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr2= 118, 119, 120, 122, 123, 124,
&end
#
# 0 AMB 20-2:1790 8 VAL MGX 4.50 (# 1790:20 Single
Ambig)
&rst
ixpk= 1790, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4=
7.78,
igr1= 861, 896, 560,
igr2= 118, 119, 120, 122, 123, 124,
&end
#
# 8 VAL HA 8 VAL MGX 2.80 (# 1791:20 Unique
2.44, 3.19 A)
&rst
ixpk= 1791, nxpk= 20, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr2= 118, 119, 120, 122, 123, 124,
&end
#
# 0 AMB 20-2:1792 8 VAL MGX 5.50 (# 1792:20 Single
Ambig)
&rst
ixpk= 1792, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4=
9.84,
igr1= 569, 570, 535, 536,
igr2= 118, 119, 120, 122, 123, 124,
&end
#
# 62 ASP HB- 8 VAL MGX 4.50 (# 1793:20 Unique
2.64, 4.83 A)
&rst
ixpk= 1793, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1= 898, 899,
igr2= 118, 119, 120, 122, 123, 124,
&end
#
# 0 AMB 20-2:1794 8 VAL MGX 2.80 (# 1794:20 Single
Ambig)
&rst
ixpk= 1794, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4=
5.94,
igr1= 575, 576, 575, 576, 572, 573, 572, 573, 116,
igr2= 118, 119, 120, 122, 123, 124,
&end
#
# 6 LEU HG 8 VAL MGX 3.50 (# 1795:20 Unique
2.12, 4.02 A)
&rst
ixpk= 1795, nxpk= 20, iat= 89, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr2= 118, 119, 120, 122, 123, 124,
&end
#
# 61 VAL HN 61 VAL MGY 3.50 (# 1797:20 Unique
3.00, 4.30 A)
&rst
ixpk= 1797, nxpk= 20, iat= 878, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr2= 884, 885, 886, 888, 889, 890,
&end
#
# 111 LEU HB- 61 VAL MGY 5.50 (# 1799:20 Unique
2.09, 4.59 A)
&rst
ixpk= 1799, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=1660,1661,
igr2= 884, 885, 886, 888, 889, 890,
&end
#
# 0 AMB 20-2:1800 61 VAL MGY 2.80 (# 1800:20 Single
Ambig)
&rst
ixpk= 1800, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4=
6.21,
igr1=2038,2039,2040,2042,2043,2044, 291, 292, 293, 295,
296, 297,
igr2= 884, 885, 886, 888, 889, 890,
&end
#
# 5 LEU MDY 61 VAL MGY 2.80 (# 1801:20 Unique
2.36, 6.08 A)
&rst
ixpk= 1801, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4=
5.59,
igr1= 72, 73, 74, 76, 77, 78,
igr2= 884, 885, 886, 888, 889, 890,
&end
#
# 59 LEU MDX 61 VAL MGY 3.50 (# 1802:20 Unique
2.38, 5.96 A)
&rst
ixpk= 1802, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1= 849, 850, 851, 853, 854, 855,
igr2= 884, 885, 886, 888, 889, 890,
&end
#
# 0 AMB 20-2:1803 128 ILE QG2 2.80 (# 1803:20 Single
Ambig)
&rst
ixpk= 1803, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4=
4.90,
igr1=1934,1935,1981,1982,1983,
igr2=1930,1931,1932,
&end
#
# 36 VAL HN 35 VAL MGY 3.50 (# 1805:20 Unique
3.09, 4.47 A)
&rst
ixpk= 1805, nxpk= 20, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr2= 476, 477, 478, 480, 481, 482,
&end
#
# 35 VAL HN 35 VAL MGY 4.50 (# 1806:20 Unique
1.99, 3.77 A)
&rst
ixpk= 1806, nxpk= 20, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr2= 476, 477, 478, 480, 481, 482,
&end
#
# 48 VAL HN 48 VAL MGX 4.50 (# 1807:20 Unique
1.94, 3.68 A)
&rst
ixpk= 1807, nxpk= 20, iat= 642, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr2= 648, 649, 650, 652, 653, 654,
&end
#
# 49 ALA HN 48 VAL MGX 4.50 (# 1808:20 Unique
3.86, 4.71 A)
&rst
ixpk= 1808, nxpk= 20, iat= 658, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr2= 648, 649, 650, 652, 653, 654,
&end
#
# 0 AMB 20-2:1809 0 AMB 20-1:1809 2.80 (# 1809:20 Double
Ambig)
&rst
ixpk= 1809, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4=
5.26,
igr1= 644, 23,
igr2= 648, 649, 650, 652, 653, 654, 476, 477, 478, 480,
481, 482,
&end
#
# 0 AMB 20-2:1810 0 AMB 20-1:1810 4.50 (# 1810:20 Double
Ambig)
&rst
ixpk= 1810, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4=
8.14,
igr1=2332,2317,
igr2=2307,2308,2309,2311,2312,2313,2307,2308,2309,2311,
2312,2313,
&end
#
# 153 VAL HN 0 AMB 20-1:1811 3.50 (# 1811:20 Single
Ambig)
&rst
ixpk= 1811, nxpk= 20, iat=2301, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr2=2307,2308,2309,2311,2312,2313,2307,2308,2309,2311,
2312,2313,
&end
#
# 153 VAL HA 0 AMB 20-1:1812 2.80 (# 1812:20 Single
Ambig)
&rst
ixpk= 1812, nxpk= 20, iat=2303, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4=
4.74,
igr2=2307,2308,2309,2311,2312,2313,2307,2308,2309,2311,
2312,2313,
&end
#
# 0 AMB 20-2:1813 0 AMB 20-1:1813 2.80 (# 1813:20 Double
Ambig)
&rst
ixpk= 1813, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4=
6.91,
igr1=2305, 646,2336,2337,2336,2337,2321,2322,
igr2=2307,2308,2309,2311,2312,2313,2307,2308,2309,2311,
2312,2313, 648, 649, 650, 652, 653, 654,
&end
#
# 117 ILE HA 118 VAL MGX 4.50 (# 1814:20 Unique
3.94, 5.87 A)
&rst
ixpk= 1814, nxpk= 20, iat=1746, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr2=1769,1770,1771,1773,1774,1775,
&end
#
# 118 VAL HB 118 VAL MGX 2.80 (# 1815:20 Unique
2.41, 2.67 A)
&rst
ixpk= 1815, nxpk= 20, iat=1767, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr2=1769,1770,1771,1773,1774,1775,
&end
#
# 152 ALA HN 152 ALA MB 2.80 (# 1816:20 Unique
2.83, 3.46 A)
&rst
ixpk= 1816, nxpk= 20, iat=2291, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr2=2295,2296,2297,
&end
#
# 152 ALA HA 152 ALA MB 2.80 (# 1817:20 Unique
2.47, 2.69 A)
&rst
ixpk= 1817, nxpk= 20, iat=2293, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr2=2295,2296,2297,
&end
#
# 151 LEU HA 152 ALA MB 4.50 (# 1818:20 Unique
4.54, 5.04 A)
&rst
ixpk= 1818, nxpk= 20, iat=2274, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr2=2295,2296,2297,
&end
#
# 0 AMB 20-2:1819 152 ALA MB 5.50 (# 1819:20 Single
Ambig)
&rst
ixpk= 1819, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=2324,2325,2324,2325,
igr2=2295,2296,2297,
&end
#
# 0 AMB 20-2:1820 152 ALA MB 3.50 (# 1820:20 Single
Ambig)
&rst
ixpk= 1820, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00,
igr1=2259,2260,2259,2260,2305,
igr2=2295,2296,2297,
&end
#
# 64 THR HN 64 THR MG2 4.50 (# 1821:20 Unique
4.54, 4.80 A)
&rst
ixpk= 1821, nxpk= 20, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr2= 922, 923, 924,
&end
#
# 85 PHE HD 64 THR MG2 3.50 (# 1822:20 Unique
3.03, 4.50 A)
&rst
ixpk= 1822, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1=1235,1243,
igr2= 922, 923, 924,
&end
#
# 0 AMB 20-2:1824 64 THR MG2 4.50 (# 1824:20 Single
Ambig)
&rst
ixpk= 1824, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4=
6.99,
igr1=1677,1678, 908,
igr2= 922, 923, 924,
&end
#
# 64 THR HA 64 THR MG2 2.80 (# 1825:20 Unique
2.25, 2.95 A)
&rst
ixpk= 1825, nxpk= 20, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr2= 922, 923, 924,
&end
#
# 64 THR HB 64 THR MG2 2.80 (# 1826:20 Unique
2.37, 2.67 A)
&rst
ixpk= 1826, nxpk= 20, iat= 920, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr2= 922, 923, 924,
&end
#
# 112 GLY HA- 64 THR MG2 4.50 (# 1827:20 Unique
3.93, 5.01 A)
&rst
ixpk= 1827, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1677,1678,
igr2= 922, 923, 924,
&end
#
# 0 AMB 20-2:1828 64 THR MG2 3.50 (# 1828:20 Single
Ambig)
&rst
ixpk= 1828, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1= 949, 950,1217,1218,
igr2= 922, 923, 924,
&end
#
# 118 VAL HN 118 VAL MGX 3.50 (# 1829:20 Unique
2.10, 4.37 A)
&rst
ixpk= 1829, nxpk= 20, iat=1763, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr2=1769,1770,1771,1773,1774,1775,
&end
#
# 16 ASP HN 118 VAL MGX 4.50 (# 1830:20 Unique
2.27, 4.05 A)
&rst
ixpk= 1830, nxpk= 20, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr2=1769,1770,1771,1773,1774,1775,
&end
#
# 118 VAL HA 118 VAL MGX 2.80 (# 1831:20 Unique
2.35, 3.20 A)
&rst
ixpk= 1831, nxpk= 20, iat=1765, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr2=1769,1770,1771,1773,1774,1775,
&end
#
# 15 ASP HB- 118 VAL MGX 2.80 (# 1832:20 Unique
2.30, 5.27 A)
&rst
ixpk= 1832, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4=
4.74,
igr1= 205, 206,
igr2=1769,1770,1771,1773,1774,1775,
&end
#
# 34 TRP HE1 139 LEU MDY 5.50 (# 1833:20 Unique
3.18, 5.06 A)
&rst
ixpk= 1833, nxpk= 20, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2=2119,2120,2121,2123,2124,2125,
&end
#
# 139 LEU HN 139 LEU MDY 3.50 (# 1834:20 Unique
2.00, 3.85 A)
&rst
ixpk= 1834, nxpk= 20, iat=2110, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr2=2119,2120,2121,2123,2124,2125,
&end
#
# 139 LEU HA 139 LEU MDY 2.80 (# 1835:20 Unique
2.34, 3.43 A)
&rst
ixpk= 1835, nxpk= 20, iat=2112, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr2=2119,2120,2121,2123,2124,2125,
&end
#
# 0 AMB 20-2:1836 139 LEU MDY 2.80 (# 1836:20 Single
Ambig)
&rst
ixpk= 1836, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4=
5.44,
igr1=2117,2090,2091,2090,2091,
igr2=2119,2120,2121,2123,2124,2125,
&end
#
# 139 LEU HB+ 139 LEU MDY 4.50 (# 1837:20 Unique
2.32, 3.51 A)
&rst
ixpk= 1837, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1=2114,2115,
igr2=2119,2120,2121,2123,2124,2125,
&end
#
# 0 AMB 20-2:1838 139 LEU MDY 3.50 (# 1838:20 Single
Ambig)
&rst
ixpk= 1838, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=2114,2115, 70,
igr2=2119,2120,2121,2123,2124,2125,
&end
#
# 0 AMB 20-2:1839 139 LEU MDY 3.50 (# 1839:20 Single
Ambig)
&rst
ixpk= 1839, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.32, r4=
7.82,
igr1=2038,2039,2040,2042,2043,2044, 291, 292, 293, 295,
296, 297, 410, 411,
igr2=2119,2120,2121,2123,2124,2125,
&end
#
# 5 LEU MDX 139 LEU MDY 3.50 (# 1841:20 Unique
2.17, 4.90 A)
&rst
ixpk= 1841, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1= 72, 73, 74, 76, 77, 78,
igr2=2119,2120,2121,2123,2124,2125,
&end
#
# 5 LEU MDY 139 LEU MDY 4.50 (# 1842:20 Unique
2.17, 4.90 A)
&rst
ixpk= 1842, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4=
8.68,
igr1= 72, 73, 74, 76, 77, 78,
igr2=2119,2120,2121,2123,2124,2125,
&end
#
# 59 LEU MDX 139 LEU MDY 2.80 (# 1843:20 Unique
2.56, 5.55 A)
&rst
ixpk= 1843, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4=
5.59,
igr1= 849, 850, 851, 853, 854, 855,
igr2=2119,2120,2121,2123,2124,2125,
&end
#
# 150 GLN HB+ 149 ALA MB 4.50 (# 1844:20 Unique
4.90, 6.01 A)
&rst
ixpk= 1844, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=2259,2260,
igr2=2249,2250,2251,
&end
#
# 149 ALA HN 149 ALA MB 2.80 (# 1845:20 Unique
2.26, 2.89 A)
&rst
ixpk= 1845, nxpk= 20, iat=2245, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr2=2249,2250,2251,
&end
#
# 150 GLN HN 149 ALA MB 2.80 (# 1846:20 Unique
2.49, 3.55 A)
&rst
ixpk= 1846, nxpk= 20, iat=2255, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr2=2249,2250,2251,
&end
#
# 148 PHE HA 149 ALA MB 4.50 (# 1847:20 Unique
4.04, 4.67 A)
&rst
ixpk= 1847, nxpk= 20, iat=2227, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr2=2249,2250,2251,
&end
#
# 149 ALA HA 149 ALA MB 2.80 (# 1848:20 Unique
2.48, 2.70 A)
&rst
ixpk= 1848, nxpk= 20, iat=2247, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr2=2249,2250,2251,
&end
#
# 74 ARG HD- 149 ALA MB 4.50 (# 1849:20 Unique
2.38, 3.75 A)
&rst
ixpk= 1849, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1064,1065,
igr2=2249,2250,2251,
&end
#
# 74 ARG HD+ 149 ALA MB 4.50 (# 1850:20 Unique
2.38, 3.75 A)
&rst
ixpk= 1850, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1064,1065,
igr2=2249,2250,2251,
&end
#
# 74 ARG HB+ 149 ALA MB 4.50 (# 1851:20 Unique
4.93, 6.47 A)
&rst
ixpk= 1851, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1058,1059,
igr2=2249,2250,2251,
&end
#
# 62 ASP HN 61 VAL MGX 3.50 (# 1852:20 Unique
2.58, 4.23 A)
&rst
ixpk= 1852, nxpk= 20, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr2= 884, 885, 886, 888, 889, 890,
&end
#
# 19 GLY HA- 61 VAL MGX 4.50 (# 1854:20 Unique
2.84, 5.24 A)
&rst
ixpk= 1854, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1= 244, 245,
igr2= 884, 885, 886, 888, 889, 890,
&end
#
# 61 VAL HB 61 VAL MGX 2.80 (# 1855:20 Unique
2.35, 2.66 A)
&rst
ixpk= 1855, nxpk= 20, iat= 882, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr2= 884, 885, 886, 888, 889, 890,
&end
#
# 0 AMB 20-2:1856 61 VAL MGX 4.50 (# 1856:20 Single
Ambig)
&rst
ixpk= 1856, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4=
8.14,
igr1=1692,1693, 286, 287,
igr2= 884, 885, 886, 888, 889, 890,
&end
#
# 0 AMB 20-2:1857 61 VAL MGX 4.50 (# 1857:20 Single
Ambig)
&rst
ixpk= 1857, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4=
9.08,
igr1=1660,1661, 291, 292, 293, 295, 296, 297,
igr2= 884, 885, 886, 888, 889, 890,
&end
#
# 0 AMB 20-2:1858 61 VAL MGX 2.80 (# 1858:20 Single
Ambig)
&rst
ixpk= 1858, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4=
6.21,
igr1=2038,2039,2040,2042,2043,2044, 291, 292, 293, 295,
296, 297,
igr2= 884, 885, 886, 888, 889, 890,
&end
#
# 5 LEU MDY 61 VAL MGX 4.50 (# 1859:20 Unique
2.36, 6.08 A)
&rst
ixpk= 1859, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4=
8.68,
igr1= 72, 73, 74, 76, 77, 78,
igr2= 884, 885, 886, 888, 889, 890,
&end
#
# 0 AMB 20-2:1860 73 ILE QG2 5.50 (# 1860:20 Single
Ambig)
&rst
ixpk= 1860, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=2227,2022,
igr2=1041,1042,1043,
&end
#
# 71 GLY HA- 131 ALA MB 3.50 (# 1861:20 Unique
2.29, 3.24 A)
&rst
ixpk= 1861, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1=1015,1016,
igr2=1981,1982,1983,
&end
#
# 0 AMB 20-2:1862 131 ALA MB 2.80 (# 1862:20 Single
Ambig)
&rst
ixpk= 1862, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4=
5.35,
igr1=1048,1049,1050,2038,2039,2040,2042,2043,2044,
igr2=1981,1982,1983,
&end
#
# 132 VAL HN 131 ALA MB 3.50 (# 1863:20 Unique
2.65, 3.48 A)
&rst
ixpk= 1863, nxpk= 20, iat=1987, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr2=1981,1982,1983,
&end
#
# 131 ALA HN 131 ALA MB 2.80 (# 1864:20 Unique
2.34, 2.86 A)
&rst
ixpk= 1864, nxpk= 20, iat=1977, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr2=1981,1982,1983,
&end
#
# 131 ALA HA 131 ALA MB 2.80 (# 1865:20 Unique
2.36, 2.65 A)
&rst
ixpk= 1865, nxpk= 20, iat=1979, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr2=1981,1982,1983,
&end
#
# 128 ILE HA 131 ALA MB 2.80 (# 1867:20 Unique
2.28, 3.11 A)
&rst
ixpk= 1867, nxpk= 20, iat=1926, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr2=1981,1982,1983,
&end
#
# 0 AMB 20-2:1868 131 ALA MB 3.50 (# 1868:20 Single
Ambig)
&rst
ixpk= 1868, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4=
6.44,
igr1=1993,1994,1995,1997,1998,1999,1934,1935,
igr2=1981,1982,1983,
&end
#
# 0 AMB 20-2:1869 131 ALA MB 2.80 (# 1869:20 Single
Ambig)
&rst
ixpk= 1869, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4=
4.90,
igr1=1045,1046,1695,1696,1697,
igr2=1981,1982,1983,
&end
#
# 42 ALA HN 42 ALA MB 3.50 (# 1870:20 Unique
2.65, 3.38 A)
&rst
ixpk= 1870, nxpk= 20, iat= 558, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr2= 562, 563, 564,
&end
#
# 45 ASN HD2+ 42 ALA MB 3.50 (# 1871:20 Unique
2.29, 4.44 A)
&rst
ixpk= 1871, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 606, 607,
igr2= 562, 563, 564,
&end
#
# 45 ASN HD2- 42 ALA MB 3.50 (# 1872:20 Unique
2.29, 4.44 A)
&rst
ixpk= 1872, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 606, 607,
igr2= 562, 563, 564,
&end
#
# 42 ALA HA 42 ALA MB 2.80 (# 1873:20 Unique
2.41, 2.65 A)
&rst
ixpk= 1873, nxpk= 20, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr2= 562, 563, 564,
&end
#
# 0 AMB 20-2:1874 42 ALA MB 3.50 (# 1874:20 Single
Ambig)
&rst
ixpk= 1874, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1= 551, 552, 569, 570,
igr2= 562, 563, 564,
&end
#
# 0 AMB 20-2:1875 42 ALA MB 3.50 (# 1875:20 Single
Ambig)
&rst
ixpk= 1875, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1= 601, 602, 601, 602,
igr2= 562, 563, 564,
&end
#
# 110 PHE HN 109 ILE QG2 3.50 (# 1876:20 Unique
2.39, 3.29 A)
&rst
ixpk= 1876, nxpk= 20, iat=1636, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr2=1623,1624,1625,
&end
#
# 142 TRP HZ2 109 ILE QG2 3.50 (# 1877:20 Unique
2.12, 4.70 A)
&rst
ixpk= 1877, nxpk= 20, iat=2164, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr2=1623,1624,1625,
&end
#
# 0 AMB 20-2:1878 109 ILE QG2 3.50 (# 1878:20 Single
Ambig)
&rst
ixpk= 1878, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=2199,1080,1638,
igr2=1623,1624,1625,
&end
#
# 109 ILE HA 109 ILE QG2 2.80 (# 1879:20 Unique
2.44, 3.14 A)
&rst
ixpk= 1879, nxpk= 20, iat=1619, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr2=1623,1624,1625,
&end
#
# 0 AMB 20-2:1880 109 ILE QG2 2.80 (# 1880:20 Single
Ambig)
&rst
ixpk= 1880, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4=
4.54,
igr1=1621,1660,1661,
igr2=1623,1624,1625,
&end
#
# 109 ILE HG1+ 109 ILE QG2 2.80 (# 1881:20 Unique
2.18, 3.23 A)
&rst
ixpk= 1881, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1=1627,1628,
igr2=1623,1624,1625,
&end
#
# 109 ILE HG1- 109 ILE QG2 2.80 (# 1882:20 Unique
2.18, 3.23 A)
&rst
ixpk= 1882, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1=1627,1628,
igr2=1623,1624,1625,
&end
#
# 0 AMB 20-2:1883 109 ILE QG2 4.50 (# 1883:20 Single
Ambig)
&rst
ixpk= 1883, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4=
8.14,
igr1= 844, 845,1665,1666,1667,1669,1670,1671,
igr2=1623,1624,1625,
&end
#
# 59 LEU MDY 109 ILE QG2 2.80 (# 1884:20 Unique
2.42, 5.41 A)
&rst
ixpk= 1884, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4=
5.03,
igr1= 849, 850, 851, 853, 854, 855,
igr2=1623,1624,1625,
&end
#
# 51 ARG HN 50 ILE QG2 5.50 (# 1885:20 Unique
3.55, 4.35 A)
&rst
ixpk= 1885, nxpk= 20, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2= 674, 675, 676,
&end
#
# 50 ILE HN 50 ILE QG2 4.50 (# 1886:20 Unique
4.40, 4.53 A)
&rst
ixpk= 1886, nxpk= 20, iat= 668, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr2= 674, 675, 676,
&end
#
# 55 PRO HD- 50 ILE QG2 4.50 (# 1887:20 Unique
2.50, 4.48 A)
&rst
ixpk= 1887, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1= 770, 771,
igr2= 674, 675, 676,
&end
#
# 0 AMB 20-2:1888 50 ILE QG2 2.80 (# 1888:20 Single
Ambig)
&rst
ixpk= 1888, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4=
4.54,
igr1= 670, 770, 771,
igr2= 674, 675, 676,
&end
#
# 0 AMB 20-2:1889 50 ILE QG2 2.80 (# 1889:20 Single
Ambig)
&rst
ixpk= 1889, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4=
4.74,
igr1= 773, 774, 672, 51,
igr2= 674, 675, 676,
&end
#
# 0 AMB 20-2:1890 50 ILE QG2 3.50 (# 1890:20 Single
Ambig)
&rst
ixpk= 1890, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1= 773, 774,1496,1497,
igr2= 674, 675, 676,
&end
#
# 54 ARG HN 50 ILE QG2 5.50 (# 1891:20 Unique
4.41, 6.27 A)
&rst
ixpk= 1891, nxpk= 20, iat= 745, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2= 674, 675, 676,
&end
#
# 104 ASP HB+ 101 LEU MDY 4.50 (# 1892:20 Unique
3.78, 7.36 A)
&rst
ixpk= 1892, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1=1552,1553,
igr2=1501,1502,1503,1505,1506,1507,
&end
#
# 28 ALA HN 28 ALA MB 2.80 (# 1893:20 Unique
2.48, 2.88 A)
&rst
ixpk= 1893, nxpk= 20, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr2= 373, 374, 375,
&end
#
# 25 LYS HA 28 ALA MB 3.50 (# 1894:20 Unique
2.71, 3.70 A)
&rst
ixpk= 1894, nxpk= 20, iat= 328, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr2= 373, 374, 375,
&end
#
# 82 ALA HN 82 ALA MB 2.80 (# 1895:20 Unique
2.36, 2.83 A)
&rst
ixpk= 1895, nxpk= 20, iat=1185, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr2=1189,1190,1191,
&end
#
# 0 AMB 20-2:1896 82 ALA MB 4.50 (# 1896:20 Single
Ambig)
&rst
ixpk= 1896, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1144,1367,
igr2=1189,1190,1191,
&end
#
# 63 ALA HN 63 ALA MB 3.50 (# 1897:20 Unique
2.41, 2.93 A)
&rst
ixpk= 1897, nxpk= 20, iat= 906, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr2= 910, 911, 912,
&end
#
# 64 THR HN 63 ALA MB 3.50 (# 1898:20 Unique
3.00, 3.78 A)
&rst
ixpk= 1898, nxpk= 20, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr2= 910, 911, 912,
&end
#
# 0 AMB 20-2:1899 0 AMB 20-1:1899 2.80 (# 1899:20 Double
Ambig)
&rst
ixpk= 1899, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4=
4.74,
igr1= 379, 213,
igr2= 383, 384, 385, 910, 911, 912,
&end
#
# 63 ALA HA 63 ALA MB 2.80 (# 1900:20 Unique
2.42, 2.67 A)
&rst
ixpk= 1900, nxpk= 20, iat= 908, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr2= 910, 911, 912,
&end
#
# 62 ASP HA 63 ALA MB 4.50 (# 1901:20 Unique
4.69, 5.25 A)
&rst
ixpk= 1901, nxpk= 20, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr2= 910, 911, 912,
&end
#
# 0 AMB 20-2:1902 0 AMB 20-1:1902 3.50 (# 1902:20 Double
Ambig)
&rst
ixpk= 1902, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 390, 391,1926,
igr2= 383, 384, 385, 910, 911, 912,
&end
#
# 30 PRO HD- 29 ALA MB 3.50 (# 1903:20 Unique
3.78, 4.74 A)
&rst
ixpk= 1903, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 390, 391,
igr2= 383, 384, 385,
&end
#
# 27 ALA HN 27 ALA MB 2.80 (# 1904:20 Unique
2.49, 2.90 A)
&rst
ixpk= 1904, nxpk= 20, iat= 359, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr2= 363, 364, 365,
&end
#
# 49 ALA HN 49 ALA MB 2.80 (# 1905:20 Unique
2.47, 2.89 A)
&rst
ixpk= 1905, nxpk= 20, iat= 658, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr2= 662, 663, 664,
&end
#
# 46 ASP HA 49 ALA MB 4.50 (# 1906:20 Unique
2.96, 3.69 A)
&rst
ixpk= 1906, nxpk= 20, iat= 613, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr2= 662, 663, 664,
&end
#
# 0 AMB 20-2:1907 0 AMB 20-1:1907 2.80 (# 1907:20 Double
Ambig)
&rst
ixpk= 1907, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4=
4.74,
igr1= 361, 660,
igr2= 363, 364, 365, 662, 663, 664,
&end
#
# 0 AMB 20-2:1908 49 ALA MB 4.50 (# 1908:20 Single
Ambig)
&rst
ixpk= 1908, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4=
6.99,
igr1= 670, 625, 644,
igr2= 662, 663, 664,
&end
#
# 0 AMB 20-2:1909 49 ALA MB 2.80 (# 1909:20 Single
Ambig)
&rst
ixpk= 1909, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4=
5.03,
igr1= 515, 516, 517, 508, 509, 510,
igr2= 662, 663, 664,
&end
#
# 19 GLY HN 18 ALA MB 4.50 (# 1910:20 Unique
2.40, 3.30 A)
&rst
ixpk= 1910, nxpk= 20, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr2= 236, 237, 238,
&end
#
# 18 ALA HN 18 ALA MB 2.80 (# 1911:20 Unique
2.41, 2.84 A)
&rst
ixpk= 1911, nxpk= 20, iat= 232, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr2= 236, 237, 238,
&end
#
# 18 ALA HA 18 ALA MB 2.80 (# 1912:20 Unique
2.42, 2.65 A)
&rst
ixpk= 1912, nxpk= 20, iat= 234, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr2= 236, 237, 238,
&end
#
# 0 AMB 20-2:1913 18 ALA MB 4.50 (# 1913:20 Single
Ambig)
&rst
ixpk= 1913, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4=
7.57,
igr1=1873,1874,1875,1725,1726,
igr2= 236, 237, 238,
&end
#
# 0 AMB 20-2:1914 18 ALA MB 2.80 (# 1914:20 Single
Ambig)
&rst
ixpk= 1914, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4=
5.35,
igr1=1993,1994,1995,1997,1998,1999,1930,1931,1932,
igr2= 236, 237, 238,
&end
#
# 77 ASP HN 76 ILE QG2 3.50 (# 1916:20 Unique
1.95, 3.23 A)
&rst
ixpk= 1916, nxpk= 20, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr2=1103,1104,1105,
&end
#
# 76 ILE HA 76 ILE QG2 3.50 (# 1917:20 Unique
2.34, 2.87 A)
&rst
ixpk= 1917, nxpk= 20, iat=1099, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr2=1103,1104,1105,
&end
#
# 0 AMB 20-2:1918 76 ILE QG2 4.50 (# 1918:20 Single
Ambig)
&rst
ixpk= 1918, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1138,2274,
igr2=1103,1104,1105,
&end
#
# 81 ILE HA 76 ILE QG2 4.50 (# 1919:20 Unique
2.26, 3.15 A)
&rst
ixpk= 1919, nxpk= 20, iat=1168, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr2=1103,1104,1105,
&end
#
# 80 ASP HB+ 76 ILE QG2 3.50 (# 1920:20 Unique
2.17, 4.07 A)
&rst
ixpk= 1920, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1=1158,1159,
igr2=1103,1104,1105,
&end
#
# 0 AMB 20-2:1921 76 ILE QG2 2.80 (# 1921:20 Single
Ambig)
&rst
ixpk= 1921, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4=
4.74,
igr1=1101,1107,1108,2279,
igr2=1103,1104,1105,
&end
#
# 74 ARG HN 73 ILE QG2 4.50 (# 1922:20 Unique
2.67, 3.54 A)
&rst
ixpk= 1922, nxpk= 20, iat=1054, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr2=1041,1042,1043,
&end
#
# 148 PHE HD 73 ILE QG2 4.50 (# 1923:20 Unique
2.55, 4.39 A)
&rst
ixpk= 1923, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=2233,2241,
igr2=1041,1042,1043,
&end
#
# 73 ILE HA 73 ILE QG2 3.50 (# 1925:20 Unique
2.33, 3.06 A)
&rst
ixpk= 1925, nxpk= 20, iat=1037, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr2=1041,1042,1043,
&end
#
# 73 ILE HG1+ 73 ILE QG2 3.50 (# 1926:20 Unique
2.24, 3.22 A)
&rst
ixpk= 1926, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1=1045,1046,
igr2=1041,1042,1043,
&end
#
# 0 AMB 20-2:1927 73 ILE QG2 2.80 (# 1927:20 Single
Ambig)
&rst
ixpk= 1927, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4=
4.74,
igr1=1039,2024,2025,2026,
igr2=1041,1042,1043,
&end
#
# 111 LEU HG 73 ILE QG2 3.50 (# 1928:20 Unique
2.35, 3.00 A)
&rst
ixpk= 1928, nxpk= 20, iat=1663, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr2=1041,1042,1043,
&end
#
# 0 AMB 20-2:1929 73 ILE QG2 2.80 (# 1929:20 Single
Ambig)
&rst
ixpk= 1929, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4=
5.35,
igr1=2038,2039,2040,2042,2043,2044,1048,1049,1050,
igr2=1041,1042,1043,
&end
#
# 111 LEU MDY 73 ILE QG2 2.80 (# 1930:20 Unique
2.08, 3.59 A)
&rst
ixpk= 1930, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4=
5.03,
igr1=1665,1666,1667,1669,1670,1671,
igr2=1041,1042,1043,
&end
#
# 76 ILE HN 75 ILE QG2 3.50 (# 1931:20 Unique
2.90, 3.52 A)
&rst
ixpk= 1931, nxpk= 20, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr2=1084,1085,1086,
&end
#
# 0 AMB 20-2:1932 75 ILE QG2 2.80 (# 1932:20 Single
Ambig)
&rst
ixpk= 1932, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1=1080,2257,
igr2=1084,1085,1086,
&end
#
# 150 GLN HG+ 75 ILE QG2 4.50 (# 1933:20 Unique
2.23, 3.56 A)
&rst
ixpk= 1933, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=2262,2263,
igr2=1084,1085,1086,
&end
#
# 75 ILE HB 75 ILE QG2 2.80 (# 1934:20 Unique
2.38, 2.63 A)
&rst
ixpk= 1934, nxpk= 20, iat=1082, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr2=1084,1085,1086,
&end
#
# 0 AMB 20-2:1935 75 ILE QG2 2.80 (# 1935:20 Single
Ambig)
&rst
ixpk= 1935, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4=
4.74,
igr1=1088,1089,1627,1628,
igr2=1084,1085,1086,
&end
#
# 99 ASP HN 98 ILE QG2 4.50 (# 1937:20 Unique
2.94, 4.01 A)
&rst
ixpk= 1937, nxpk= 20, iat=1463, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr2=1450,1451,1452,
&end
#
# 0 AMB 20-2:1938 98 ILE QG2 4.50 (# 1938:20 Single
Ambig)
&rst
ixpk= 1938, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1444,1533,
igr2=1450,1451,1452,
&end
#
# 99 ASP HA 98 ILE QG2 4.50 (# 1939:20 Unique
2.87, 4.16 A)
&rst
ixpk= 1939, nxpk= 20, iat=1465, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr2=1450,1451,1452,
&end
#
# 0 AMB 20-2:1940 98 ILE QG2 4.50 (# 1940:20 Single
Ambig)
&rst
ixpk= 1940, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1138,1392,
igr2=1450,1451,1452,
&end
#
# 98 ILE HA 98 ILE QG2 2.80 (# 1941:20 Unique
2.47, 3.34 A)
&rst
ixpk= 1941, nxpk= 20, iat=1446, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr2=1450,1451,1452,
&end
#
# 0 AMB 20-2:1942 98 ILE QG2 4.50 (# 1942:20 Single
Ambig)
&rst
ixpk= 1942, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1=1524,1525,1524,1525,
igr2=1450,1451,1452,
&end
#
# 0 AMB 20-2:1943 98 ILE QG2 2.80 (# 1943:20 Single
Ambig)
&rst
ixpk= 1943, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4=
4.90,
igr1=1132,1133,1515,1516,1448,
igr2=1450,1451,1452,
&end
#
# 0 AMB 20-2:1944 98 ILE QG2 2.80 (# 1944:20 Single
Ambig)
&rst
ixpk= 1944, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4=
5.35,
igr1=1457,1458,1459,1501,1502,1503,1505,1506,1507,
igr2=1450,1451,1452,
&end
#
# 81 ILE HA 81 ILE QG2 3.50 (# 1945:20 Unique
2.85, 3.38 A)
&rst
ixpk= 1945, nxpk= 20, iat=1168, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr2=1172,1173,1174,
&end
#
# 0 AMB 20-2:1946 81 ILE QG2 4.50 (# 1946:20 Single
Ambig)
&rst
ixpk= 1946, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1185,1227,
igr2=1172,1173,1174,
&end
#
# 0 AMB 20-2:1947 0 AMB 20-1:1947 4.50 (# 1947:20 Double
Ambig)
&rst
ixpk= 1947, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4=
8.43,
igr1=1187, 770, 771,1513,1373,
igr2=1172,1173,1174,1566,1567,1568,
&end
#
# 0 AMB 20-2:1948 0 AMB 20-1:1948 2.80 (# 1948:20 Double
Ambig)
&rst
ixpk= 1948, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4=
5.03,
igr1=1170, 776, 777,
igr2=1172,1173,1174,1566,1567,1568,
&end
#
# 58 LEU HN 105 ILE QG2 4.50 (# 1949:20 Unique
2.82, 3.49 A)
&rst
ixpk= 1949, nxpk= 20, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr2=1566,1567,1568,
&end
#
# 0 AMB 20-2:1950 0 AMB 20-1:1950 4.50 (# 1950:20 Double
Ambig)
&rst
ixpk= 1950, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1=1390,1579,
igr2=1172,1173,1174,1566,1567,1568,
&end
#
# 107 GLU HN 105 ILE QG2 2.80 (# 1951:20 Unique
1.99, 3.06 A)
&rst
ixpk= 1951, nxpk= 20, iat=1586, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr2=1566,1567,1568,
&end
#
# 0 AMB 20-2:1952 105 ILE QG2 4.50 (# 1952:20 Single
Ambig)
&rst
ixpk= 1952, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1= 785,1494,
igr2=1566,1567,1568,
&end
#
# 105 ILE HA 105 ILE QG2 2.80 (# 1953:20 Unique
2.56, 3.21 A)
&rst
ixpk= 1953, nxpk= 20, iat=1562, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr2=1566,1567,1568,
&end
#
# 0 AMB 20-2:1954 0 AMB 20-1:1954 2.80 (# 1954:20 Double
Ambig)
&rst
ixpk= 1954, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4=
5.72,
igr1=1564,1375,1376, 804, 805, 804, 805,
igr2=1566,1567,1568,1172,1173,1174,
&end
#
# 118 VAL HN 117 ILE QD1 4.50 (# 1955:20 Unique
2.79, 4.27 A)
&rst
ixpk= 1955, nxpk= 20, iat=1763, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr2=1757,1758,1759,
&end
#
# 61 VAL HN 60 ILE QG2 3.50 (# 1956:20 Unique
2.22, 3.20 A)
&rst
ixpk= 1956, nxpk= 20, iat= 878, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr2= 865, 866, 867,
&end
#
# 122 TYR HD 117 ILE QD1 2.80 (# 1957:20 Unique
2.35, 4.44 A)
&rst
ixpk= 1957, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1=1835,1844,
igr2=1757,1758,1759,
&end
#
# 60 ILE HA 60 ILE QG2 2.80 (# 1958:20 Unique
2.32, 3.03 A)
&rst
ixpk= 1958, nxpk= 20, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr2= 865, 866, 867,
&end
#
# 117 ILE HA 117 ILE QD1 3.50 (# 1959:20 Unique
2.34, 4.34 A)
&rst
ixpk= 1959, nxpk= 20, iat=1746, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr2=1757,1758,1759,
&end
#
# 122 TYR HB+ 117 ILE QD1 4.50 (# 1960:20 Unique
2.21, 3.11 A)
&rst
ixpk= 1960, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1831,1832,
igr2=1757,1758,1759,
&end
#
# 0 AMB 20-2:1961 117 ILE QD1 5.50 (# 1961:20 Single
Ambig)
&rst
ixpk= 1961, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=1831,1832, 205, 206,
igr2=1757,1758,1759,
&end
#
# 24 GLU HN 23 ALA MB 2.80 (# 1968:20 Unique
2.58, 3.48 A)
&rst
ixpk= 1968, nxpk= 20, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr2= 305, 306, 307,
&end
#
# 23 ALA HN 23 ALA MB 2.80 (# 1969:20 Unique
2.36, 2.95 A)
&rst
ixpk= 1969, nxpk= 20, iat= 301, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr2= 305, 306, 307,
&end
#
# 38 ASP HA 23 ALA MB 3.50 (# 1970:20 Unique
3.85, 4.52 A)
&rst
ixpk= 1970, nxpk= 20, iat= 523, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr2= 305, 306, 307,
&end
#
# 20 PRO HA 23 ALA MB 2.80 (# 1971:20 Unique
2.34, 3.22 A)
&rst
ixpk= 1971, nxpk= 20, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr2= 305, 306, 307,
&end
#
# 23 ALA HA 23 ALA MB 2.80 (# 1972:20 Unique
2.37, 2.68 A)
&rst
ixpk= 1972, nxpk= 20, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr2= 305, 306, 307,
&end
#
# 36 VAL MGX 23 ALA MB 3.50 (# 1973:20 Unique
2.96, 6.16 A)
&rst
ixpk= 1973, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 492, 493, 494, 496, 497, 498,
igr2= 305, 306, 307,
&end
#
# 47 ILE HN 47 ILE QG2 4.50 (# 1974:20 Unique
4.32, 4.53 A)
&rst
ixpk= 1974, nxpk= 20, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr2= 629, 630, 631,
&end
#
# 0 AMB 20-2:1975 47 ILE QG2 2.80 (# 1975:20 Single
Ambig)
&rst
ixpk= 1975, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1= 625, 644,
igr2= 629, 630, 631,
&end
#
# 0 AMB 20-2:1976 47 ILE QG2 4.50 (# 1976:20 Single
Ambig)
&rst
ixpk= 1976, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1= 697, 698, 697, 698,
igr2= 629, 630, 631,
&end
#
# 0 AMB 20-2:1978 60 ILE QG2 4.50 (# 1978:20 Single
Ambig)
&rst
ixpk= 1978, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1= 859, 840,
igr2= 865, 866, 867,
&end
#
# 0 AMB 20-2:1979 0 AMB 20-1:1979 3.50 (# 1979:20 Double
Ambig)
&rst
ixpk= 1979, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 86, 87,1045,1046, 116,
igr2= 865, 866, 867,1688,1689,1690,
&end
#
# 114 GLN HN 113 ILE QG2 4.50 (# 1980:20 Unique
3.03, 3.68 A)
&rst
ixpk= 1980, nxpk= 20, iat=1701, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr2=1688,1689,1690,
&end
#
# 0 AMB 20-2:1981 113 ILE QG2 2.80 (# 1981:20 Single
Ambig)
&rst
ixpk= 1981, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1=1684,1728,
igr2=1688,1689,1690,
&end
#
# 71 GLY HA+ 113 ILE QG2 5.50 (# 1982:20 Unique
2.40, 3.80 A)
&rst
ixpk= 1982, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1015,1016,
igr2=1688,1689,1690,
&end
#
# 0 AMB 20-2:1983 0 AMB 20-1:1983 4.50 (# 1983:20 Double
Ambig)
&rst
ixpk= 1983, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4=
7.78,
igr1=1926,1640,1641,
igr2=1688,1689,1690, 865, 866, 867,
&end
#
# 71 GLY HA- 113 ILE QG2 4.50 (# 1984:20 Unique
2.40, 3.80 A)
&rst
ixpk= 1984, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1015,1016,
igr2=1688,1689,1690,
&end
#
# 0 AMB 20-2:1985 113 ILE QG2 5.50 (# 1985:20 Single
Ambig)
&rst
ixpk= 1985, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.14, r4=
9.64,
igr1=1705,1706,1705,1706,1928,1708,1709,
igr2=1688,1689,1690,
&end
#
# 0 AMB 20-2:1986 0 AMB 20-1:1986 2.80 (# 1986:20 Double
Ambig)
&rst
ixpk= 1986, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4=
5.59,
igr1=1981,1982,1983,1934,1935,1748,
igr2=1688,1689,1690,1757,1758,1759,
&end
#
# 0 AMB 20-2:1987 0 AMB 20-1:1987 2.80 (# 1987:20 Double
Ambig)
&rst
ixpk= 1987, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4=
5.03,
igr1= 89,1692,1693,
igr2= 865, 866, 867,1688,1689,1690,
&end
#
# 0 AMB 20-2:1988 113 ILE QG2 2.80 (# 1988:20 Single
Ambig)
&rst
ixpk= 1988, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4=
5.26,
igr1=1934,1935,1993,1994,1995,1997,1998,1999,
igr2=1688,1689,1690,
&end
#
# 0 AMB 20-2:1989 13 MET ME 5.50 (# 1989:20 Single
Ambig)
&rst
ixpk= 1989, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1786, 160,
igr2= 188, 189, 190,
&end
#
# 119 GLY HA+ 13 MET ME 3.50 (# 1990:20 Unique
3.45, 5.49 A)
&rst
ixpk= 1990, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1=1781,1782,
igr2= 188, 189, 190,
&end
#
# 119 GLY HA- 13 MET ME 5.50 (# 1991:20 Unique
3.45, 5.49 A)
&rst
ixpk= 1991, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1781,1782,
igr2= 188, 189, 190,
&end
#
# 120 PHE HB+ 13 MET ME 5.50 (# 1992:20 Unique
4.89, 7.30 A)
&rst
ixpk= 1992, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1790,1791,
igr2= 188, 189, 190,
&end
#
# 13 MET HB+ 13 MET ME 3.50 (# 1993:20 Unique
2.45, 4.15 A)
&rst
ixpk= 1993, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 181, 182,
igr2= 188, 189, 190,
&end
#
# 118 VAL MGY 13 MET ME 3.50 (# 1995:20 Unique
2.21, 4.61 A)
&rst
ixpk= 1995, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1769,1770,1771,1773,1774,1775,
igr2= 188, 189, 190,
&end
#
# 0 AMB 20-2:1997 37 ILE QG2 3.50 (# 1997:20 Single
Ambig)
&rst
ixpk= 1997, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 521, 101,
igr2= 508, 509, 510,
&end
#
# 6 LEU HA 37 ILE QG2 4.50 (# 1998:20 Unique
3.36, 4.19 A)
&rst
ixpk= 1998, nxpk= 20, iat= 84, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr2= 508, 509, 510,
&end
#
# 37 ILE HA 37 ILE QG2 2.80 (# 1999:20 Unique
2.60, 3.20 A)
&rst
ixpk= 1999, nxpk= 20, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr2= 508, 509, 510,
&end
#
# 46 ASP HB+ 37 ILE QG2 3.50 (# 2000:20 Unique
2.70, 4.03 A)
&rst
ixpk= 2000, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 615, 616,
igr2= 508, 509, 510,
&end
#
# 46 ASP HB- 37 ILE QG2 4.50 (# 2001:20 Unique
2.70, 4.03 A)
&rst
ixpk= 2001, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1= 615, 616,
igr2= 508, 509, 510,
&end
#
# 37 ILE HB 37 ILE QG2 2.80 (# 2002:20 Unique
2.42, 2.66 A)
&rst
ixpk= 2002, nxpk= 20, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr2= 508, 509, 510,
&end
#
# 37 ILE HG1+ 37 ILE QG2 2.80 (# 2003:20 Unique
2.67, 3.64 A)
&rst
ixpk= 2003, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1= 512, 513,
igr2= 508, 509, 510,
&end
#
# 37 ILE HG1- 37 ILE QG2 2.80 (# 2004:20 Unique
2.67, 3.64 A)
&rst
ixpk= 2004, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1= 512, 513,
igr2= 508, 509, 510,
&end
#
# 66 MET HN 66 MET ME 5.50 (# 2005:20 Unique
2.55, 3.87 A)
&rst
ixpk= 2005, nxpk= 20, iat= 942, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2= 953, 954, 955,
&end
#
# 114 GLN HN 66 MET ME 3.50 (# 2006:20 Unique
2.11, 2.80 A)
&rst
ixpk= 2006, nxpk= 20, iat=1701, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr2= 953, 954, 955,
&end
#
# 73 ILE HA 66 MET ME 4.50 (# 2007:20 Unique
3.81, 5.02 A)
&rst
ixpk= 2007, nxpk= 20, iat=1037, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr2= 953, 954, 955,
&end
#
# 0 AMB 20-2:2008 66 MET ME 3.50 (# 2008:20 Single
Ambig)
&rst
ixpk= 2008, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1=1684, 932,
igr2= 953, 954, 955,
&end
#
# 0 AMB 20-2:2009 0 AMB 20-1:2009 5.50 (# 2009:20 Double
Ambig)
&rst
ixpk= 2009, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4=
9.84,
igr1=1677,1678, 250, 251,
igr2= 953, 954, 955,1873,1874,1875,
&end
#
# 66 MET HG+ 66 MET ME 2.80 (# 2010:20 Unique
2.39, 3.62 A)
&rst
ixpk= 2010, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1= 949, 950,
igr2= 953, 954, 955,
&end
#
# 0 AMB 20-2:2011 66 MET ME 2.80 (# 2011:20 Single
Ambig)
&rst
ixpk= 2011, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4=
5.59,
igr1= 975, 976, 977, 979, 980, 981, 975, 976, 977, 979,
980, 981,
igr2= 953, 954, 955,
&end
#
# 0 AMB 20-2:2012 0 AMB 20-1:2012 2.80 (# 2012:20 Double
Ambig)
&rst
ixpk= 2012, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4=
4.74,
igr1=1703, 203,
igr2= 953, 954, 955,1873,1874,1875,
&end
#
# 0 AMB 20-2:2013 0 AMB 20-1:2013 4.50 (# 2013:20 Double
Ambig)
&rst
ixpk= 2013, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1=1864, 944,
igr2=1873,1874,1875, 953, 954, 955,
&end
#
# 17 GLY HN 124 MET ME 4.50 (# 2014:20 Unique
2.92, 3.95 A)
&rst
ixpk= 2014, nxpk= 20, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr2=1873,1874,1875,
&end
#
# 0 AMB 20-2:2015 124 MET ME 5.50 (# 2015:20 Single
Ambig)
&rst
ixpk= 2015, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 263, 282,
igr2=1873,1874,1875,
&end
#
# 18 ALA HN 124 MET ME 3.50 (# 2016:20 Unique
3.25, 4.11 A)
&rst
ixpk= 2016, nxpk= 20, iat= 232, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr2=1873,1874,1875,
&end
#
# 0 AMB 20-2:2017 0 AMB 20-1:2017 2.80 (# 2017:20 Double
Ambig)
&rst
ixpk= 2017, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4=
5.59,
igr1= 234, 920, 227, 228, 227, 228,
igr2=1873,1874,1875, 953, 954, 955,
&end
#
# 124 MET HG- 124 MET ME 3.50 (# 2018:20 Unique
2.57, 3.74 A)
&rst
ixpk= 2018, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1=1869,1870,
igr2=1873,1874,1875,
&end
#
# 0 AMB 20-2:2019 124 MET ME 3.50 (# 2019:20 Single
Ambig)
&rst
ixpk= 2019, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1=1869,1870, 205, 206,
igr2=1873,1874,1875,
&end
#
# 128 ILE QG2 124 MET ME 3.50 (# 2020:20 Unique
2.82, 4.42 A)
&rst
ixpk= 2020, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1930,1931,1932,
igr2=1873,1874,1875,
&end
#
# 128 ILE HA 128 ILE QD1 2.80 (# 2021:20 Unique
2.82, 3.69 A)
&rst
ixpk= 2021, nxpk= 20, iat=1926, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr2=1937,1938,1939,
&end
#
# 0 AMB 20-2:2022 128 ILE QD1 3.50 (# 2022:20 Single
Ambig)
&rst
ixpk= 2022, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1=1883,1728,
igr2=1937,1938,1939,
&end
#
# 0 AMB 20-2:2023 105 ILE QD1 5.50 (# 2023:20 Single
Ambig)
&rst
ixpk= 2023, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1560,1586,
igr2=1573,1574,1575,
&end
#
# 105 ILE HA 105 ILE QD1 4.50 (# 2024:20 Unique
4.27, 4.64 A)
&rst
ixpk= 2024, nxpk= 20, iat=1562, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr2=1573,1574,1575,
&end
#
# 55 PRO HD+ 105 ILE QD1 4.50 (# 2025:20 Unique
2.47, 4.26 A)
&rst
ixpk= 2025, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1= 770, 771,
igr2=1573,1574,1575,
&end
#
# 71 GLY HN 128 ILE QD1 3.50 (# 2026:20 Unique
2.36, 3.07 A)
&rst
ixpk= 2026, nxpk= 20, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr2=1937,1938,1939,
&end
#
# 128 ILE HN 128 ILE QD1 4.50 (# 2027:20 Unique
2.09, 2.82 A)
&rst
ixpk= 2027, nxpk= 20, iat=1924, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr2=1937,1938,1939,
&end
#
# 71 GLY HA- 128 ILE QD1 5.50 (# 2028:20 Unique
3.09, 4.25 A)
&rst
ixpk= 2028, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1015,1016,
igr2=1937,1938,1939,
&end
#
# 0 AMB 20-2:2029 128 ILE QD1 3.50 (# 2029:20 Single
Ambig)
&rst
ixpk= 2029, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1914,1915,1928,
igr2=1937,1938,1939,
&end
#
# 0 AMB 20-2:2030 128 ILE QD1 4.50 (# 2030:20 Single
Ambig)
&rst
ixpk= 2030, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1=1914,1915,1006,1007,
igr2=1937,1938,1939,
&end
#
# 71 GLY HA+ 128 ILE QD1 4.50 (# 2031:20 Unique
3.09, 4.25 A)
&rst
ixpk= 2031, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1015,1016,
igr2=1937,1938,1939,
&end
#
# 0 AMB 20-2:2032 128 ILE QD1 5.50 (# 2032:20 Single
Ambig)
&rst
ixpk= 2032, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4=
9.40,
igr1=1869,1870,1969,1970,1969,1970,
igr2=1937,1938,1939,
&end
#
# 128 ILE HG1- 128 ILE QD1 2.80 (# 2033:20 Unique
2.32, 2.63 A)
&rst
ixpk= 2033, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1=1934,1935,
igr2=1937,1938,1939,
&end
#
# 0 AMB 20-2:2034 105 ILE QD1 4.50 (# 2034:20 Single
Ambig)
&rst
ixpk= 2034, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4=
6.99,
igr1= 770, 771,1513,
igr2=1573,1574,1575,
&end
#
# 47 ILE HB 47 ILE QD1 2.80 (# 2036:20 Unique
2.39, 3.08 A)
&rst
ixpk= 2036, nxpk= 20, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr2= 636, 637, 638,
&end
#
# 142 TRP HE1 109 ILE QD1 4.50 (# 2037:20 Unique
2.16, 3.63 A)
&rst
ixpk= 2037, nxpk= 20, iat=2161, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr2=1630,1631,1632,
&end
#
# 109 ILE HN 109 ILE QD1 4.50 (# 2038:20 Unique
2.24, 3.59 A)
&rst
ixpk= 2038, nxpk= 20, iat=1617, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr2=1630,1631,1632,
&end
#
# 0 AMB 20-2:2039 109 ILE QD1 4.50 (# 2039:20 Single
Ambig)
&rst
ixpk= 2039, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1603,2199,
igr2=1630,1631,1632,
&end
#
# 109 ILE HA 109 ILE QD1 4.50 (# 2040:20 Unique
3.88, 4.66 A)
&rst
ixpk= 2040, nxpk= 20, iat=1619, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr2=1630,1631,1632,
&end
#
# 57 ARG HD+ 109 ILE QD1 5.50 (# 2041:20 Unique
2.22, 4.57 A)
&rst
ixpk= 2041, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 807, 808,
igr2=1630,1631,1632,
&end
#
# 57 ARG HD- 109 ILE QD1 4.50 (# 2042:20 Unique
2.22, 4.57 A)
&rst
ixpk= 2042, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1= 807, 808,
igr2=1630,1631,1632,
&end
#
# 0 AMB 20-2:2043 109 ILE QD1 4.50 (# 2043:20 Single
Ambig)
&rst
ixpk= 2043, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1=1593,1594,1590,1591,
igr2=1630,1631,1632,
&end
#
# 109 ILE HB 109 ILE QD1 2.80 (# 2044:20 Unique
2.15, 2.84 A)
&rst
ixpk= 2044, nxpk= 20, iat=1621, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr2=1630,1631,1632,
&end
#
# 0 AMB 20-2:2045 109 ILE QD1 2.80 (# 2045:20 Single
Ambig)
&rst
ixpk= 2045, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4=
5.03,
igr1=1627,1628, 804, 805, 804, 805,
igr2=1630,1631,1632,
&end
#
# 0 AMB 20-2:2046 105 ILE QD1 3.50 (# 2046:20 Single
Ambig)
&rst
ixpk= 2046, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1=1496,1497, 773, 774,
igr2=1573,1574,1575,
&end
#
# 59 LEU MDY 109 ILE QD1 4.50 (# 2047:20 Unique
2.74, 5.67 A)
&rst
ixpk= 2047, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4=
7.78,
igr1= 849, 850, 851, 853, 854, 855,
igr2=1630,1631,1632,
&end
#
# 73 ILE HN 73 ILE QD1 4.50 (# 2048:20 Unique
2.14, 3.25 A)
&rst
ixpk= 2048, nxpk= 20, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr2=1048,1049,1050,
&end
#
# 134 THR HB 73 ILE QD1 4.50 (# 2051:20 Unique
2.88, 3.77 A)
&rst
ixpk= 2051, nxpk= 20, iat=2022, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr2=1048,1049,1050,
&end
#
# 131 ALA HA 73 ILE QD1 3.50 (# 2052:20 Unique
2.07, 3.20 A)
&rst
ixpk= 2052, nxpk= 20, iat=1979, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr2=1048,1049,1050,
&end
#
# 73 ILE HG1+ 73 ILE QD1 2.80 (# 2053:20 Unique
2.40, 2.65 A)
&rst
ixpk= 2053, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1=1045,1046,
igr2=1048,1049,1050,
&end
#
# 131 ALA MB 73 ILE QD1 2.80 (# 2054:20 Unique
2.40, 4.16 A)
&rst
ixpk= 2054, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4=
4.54,
igr1=1981,1982,1983,
igr2=1048,1049,1050,
&end
#
# 0 AMB 20-2:2055 73 ILE QD1 2.80 (# 2055:20 Single
Ambig)
&rst
ixpk= 2055, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4=
4.74,
igr1=2024,2025,2026,1039,
igr2=1048,1049,1050,
&end
#
# 73 ILE HG1- 73 ILE QD1 2.80 (# 2056:20 Unique
2.40, 2.65 A)
&rst
ixpk= 2056, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1=1045,1046,
igr2=1048,1049,1050,
&end
#
# 73 ILE QG2 73 ILE QD1 2.80 (# 2057:20 Unique
3.19, 4.45 A)
&rst
ixpk= 2057, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4=
4.54,
igr1=1041,1042,1043,
igr2=1048,1049,1050,
&end
#
# 142 TRP HZ2 109 ILE QD1 5.50 (# 2058:20 Unique
2.14, 3.18 A)
&rst
ixpk= 2058, nxpk= 20, iat=2164, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=1630,1631,1632,
&end
#
# 0 AMB 20-2:2059 109 ILE QD1 4.50 (# 2059:20 Single
Ambig)
&rst
ixpk= 2059, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4=
7.78,
igr1=1590,1591, 801, 802, 825, 826,
igr2=1630,1631,1632,
&end
#
# 0 AMB 20-2:2061 50 ILE QD1 4.50 (# 2061:20 Single
Ambig)
&rst
ixpk= 2061, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1= 668, 611,
igr2= 681, 682, 683,
&end
#
# 47 ILE HA 50 ILE QD1 2.80 (# 2062:20 Unique
2.16, 3.33 A)
&rst
ixpk= 2062, nxpk= 20, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr2= 681, 682, 683,
&end
#
# 46 ASP HB+ 50 ILE QD1 5.50 (# 2063:20 Unique
2.43, 4.11 A)
&rst
ixpk= 2063, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 615, 616,
igr2= 681, 682, 683,
&end
#
# 50 ILE HG1- 50 ILE QD1 2.80 (# 2064:20 Unique
2.32, 2.65 A)
&rst
ixpk= 2064, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1= 678, 679,
igr2= 681, 682, 683,
&end
#
# 0 AMB 20-2:2065 60 ILE QD1 3.50 (# 2065:20 Single
Ambig)
&rst
ixpk= 2065, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 859, 840,
igr2= 872, 873, 874,
&end
#
# 0 AMB 20-2:2066 60 ILE QD1 4.50 (# 2066:20 Single
Ambig)
&rst
ixpk= 2066, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1638,1603,
igr2= 872, 873, 874,
&end
#
# 47 ILE HN 47 ILE QD1 5.50 (# 2067:20 Unique
3.45, 4.21 A)
&rst
ixpk= 2067, nxpk= 20, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2= 636, 637, 638,
&end
#
# 96 TYR HE 47 ILE QD1 5.50 (# 2068:20 Unique
3.85, 6.16 A)
&rst
ixpk= 2068, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1414,1419,
igr2= 636, 637, 638,
&end
#
# 44 GLU HA 47 ILE QD1 3.50 (# 2069:20 Unique
2.41, 3.12 A)
&rst
ixpk= 2069, nxpk= 20, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr2= 636, 637, 638,
&end
#
# 97 LEU HA 47 ILE QD1 3.50 (# 2070:20 Unique
2.18, 3.42 A)
&rst
ixpk= 2070, nxpk= 20, iat=1427, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr2= 636, 637, 638,
&end
#
# 0 AMB 20-2:2071 47 ILE QD1 4.50 (# 2071:20 Single
Ambig)
&rst
ixpk= 2071, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1= 625, 644,
igr2= 636, 637, 638,
&end
#
# 0 AMB 20-2:2072 47 ILE QD1 2.80 (# 2072:20 Single
Ambig)
&rst
ixpk= 2072, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4=
5.03,
igr1=1482,1483,1479,1480,1479,1480,
igr2= 636, 637, 638,
&end
#
# 47 ILE HG1- 47 ILE QD1 2.80 (# 2073:20 Unique
2.33, 2.66 A)
&rst
ixpk= 2073, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1= 633, 634,
igr2= 636, 637, 638,
&end
#
# 97 LEU HG 47 ILE QD1 4.50 (# 2074:20 Unique
2.30, 5.48 A)
&rst
ixpk= 2074, nxpk= 20, iat=1432, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr2= 636, 637, 638,
&end
#
# 76 ILE HN 76 ILE QD1 4.50 (# 2075:20 Unique
4.66, 5.04 A)
&rst
ixpk= 2075, nxpk= 20, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr2=1110,1111,1112,
&end
#
# 85 PHE HD 76 ILE QD1 3.50 (# 2076:20 Unique
3.35, 5.83 A)
&rst
ixpk= 2076, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1=1235,1243,
igr2=1110,1111,1112,
&end
#
# 110 PHE HD 76 ILE QD1 2.80 (# 2077:20 Unique
2.87, 5.91 A)
&rst
ixpk= 2077, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1=1644,1652,
igr2=1110,1111,1112,
&end
#
# 0 AMB 20-2:2078 76 ILE QD1 4.50 (# 2078:20 Single
Ambig)
&rst
ixpk= 2078, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4=
6.99,
igr1=1099, 918, 944,
igr2=1110,1111,1112,
&end
#
# 64 THR HB 76 ILE QD1 3.50 (# 2079:20 Unique
2.53, 3.28 A)
&rst
ixpk= 2079, nxpk= 20, iat= 920, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr2=1110,1111,1112,
&end
#
# 0 AMB 20-2:2080 76 ILE QD1 3.50 (# 2080:20 Single
Ambig)
&rst
ixpk= 2080, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1= 949, 950,1217,1218,
igr2=1110,1111,1112,
&end
#
# 0 AMB 20-2:2081 76 ILE QD1 2.80 (# 2081:20 Single
Ambig)
&rst
ixpk= 2081, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4=
4.74,
igr1=1107,1108,1101,2279,
igr2=1110,1111,1112,
&end
#
# 113 ILE HA 113 ILE QD1 5.50 (# 2082:20 Unique
4.54, 4.65 A)
&rst
ixpk= 2082, nxpk= 20, iat=1684, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=1695,1696,1697,
&end
#
# 132 VAL HA 113 ILE QD1 4.50 (# 2083:20 Unique
2.76, 3.31 A)
&rst
ixpk= 2083, nxpk= 20, iat=1989, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr2=1695,1696,1697,
&end
#
# 131 ALA MB 113 ILE QD1 3.50 (# 2084:20 Unique
2.76, 4.50 A)
&rst
ixpk= 2084, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1981,1982,1983,
igr2=1695,1696,1697,
&end
#
# 113 ILE HG1- 113 ILE QD1 2.80 (# 2085:20 Unique
2.37, 2.66 A)
&rst
ixpk= 2085, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1=1692,1693,
igr2=1695,1696,1697,
&end
#
# 132 VAL MGY 113 ILE QD1 2.80 (# 2086:20 Unique
2.44, 4.54 A)
&rst
ixpk= 2086, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4=
5.03,
igr1=1993,1994,1995,1997,1998,1999,
igr2=1695,1696,1697,
&end
#
# 73 ILE QG2 113 ILE QD1 5.50 (# 2087:20 Unique
3.18, 5.32 A)
&rst
ixpk= 2087, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4=
8.43,
igr1=1041,1042,1043,
igr2=1695,1696,1697,
&end
#
# 98 ILE HN 98 ILE QD1 3.50 (# 2088:20 Unique
3.46, 4.33 A)
&rst
ixpk= 2088, nxpk= 20, iat=1444, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr2=1457,1458,1459,
&end
#
# 112 GLY HA- 76 ILE QD1 3.50 (# 2089:20 Unique
2.18, 3.75 A)
&rst
ixpk= 2089, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1=1677,1678,
igr2=1110,1111,1112,
&end
#
# 50 ILE HA 37 ILE QD1 4.50 (# 2090:20 Unique
2.52, 2.96 A)
&rst
ixpk= 2090, nxpk= 20, iat= 670, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr2= 515, 516, 517,
&end
#
# 0 AMB 20-2:2091 37 ILE QD1 2.80 (# 2091:20 Single
Ambig)
&rst
ixpk= 2091, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4=
4.74,
igr1= 512, 513, 730, 731,
igr2= 515, 516, 517,
&end
#
# 0 AMB 20-2:2092 37 ILE QD1 2.80 (# 2092:20 Single
Ambig)
&rst
ixpk= 2092, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4=
5.26,
igr1= 512, 513, 476, 477, 478, 480, 481, 482,
igr2= 515, 516, 517,
&end
#
# 0 AMB 20-2:2093 37 ILE QD1 4.50 (# 2093:20 Single
Ambig)
&rst
ixpk= 2093, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1= 504, 472,
igr2= 515, 516, 517,
&end
#
# 0 AMB 20-2:2094 0 AMB 20-1:2094 4.50 (# 2094:20 Double
Ambig)
&rst
ixpk= 2094, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4=
8.14,
igr1=1394,1395, 615, 616,
igr2=1457,1458,1459, 515, 516, 517,
&end
#
# 0 AMB 20-2:2095 0 AMB 20-1:2095 2.80 (# 2095:20 Double
Ambig)
&rst
ixpk= 2095, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4=
5.44,
igr1=1132,1133,1448, 733, 51,
igr2=1457,1458,1459, 515, 516, 517,
&end
#
# 98 ILE HG1- 98 ILE QD1 2.80 (# 2096:20 Unique
2.29, 2.65 A)
&rst
ixpk= 2096, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1=1454,1455,
igr2=1457,1458,1459,
&end
#
# 0 AMB 20-2:2097 0 AMB 20-1:2097 2.80 (# 2097:20 Double
Ambig)
&rst
ixpk= 2097, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4=
7.12,
igr1=1450,1451,1452, 735, 736, 737, 739, 740, 741,1454,
1455, 53, 54, 55, 57, 58, 59,1607,1608,1609,
1611,1612,1613,1607,1608,1609,1611,1612,1613,
igr2=1457,1458,1459, 515, 516, 517,
&end
#
# 0 AMB 20-2:2098 81 ILE QD1 3.50 (# 2098:20 Single
Ambig)
&rst
ixpk= 2098, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1=1138,1392,
igr2=1179,1180,1181,
&end
#
# 110 PHE HB+ 81 ILE QD1 4.50 (# 2099:20 Unique
2.22, 2.94 A)
&rst
ixpk= 2099, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1640,1641,
igr2=1179,1180,1181,
&end
#
# 81 ILE HB 81 ILE QD1 3.50 (# 2100:20 Unique
2.47, 3.19 A)
&rst
ixpk= 2100, nxpk= 20, iat=1170, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr2=1179,1180,1181,
&end
#
# 0 AMB 20-2:2101 81 ILE QD1 4.50 (# 2101:20 Single
Ambig)
&rst
ixpk= 2101, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4=
6.99,
igr1=1101,1375,1376,
igr2=1179,1180,1181,
&end
#
# 127 PRO HD+ 125 THR HB 4.50 (# 2102:20 Unique
1.96, 2.87 A)
&rst
ixpk= 2102, nxpk= 20, iat= -1,1883, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1911,1912,
&end
#
# 64 THR HA 64 THR HB 4.50 (# 2103:20 Unique
3.03, 3.04 A)
&rst
ixpk= 2103, nxpk= 20, iat= 918, 920, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 64 THR MG2 64 THR HB 2.80 (# 2104:20 Unique
2.37, 2.67 A)
&rst
ixpk= 2104, nxpk= 20, iat= -1, 920, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr1= 922, 923, 924,
&end
#
# 104 ASP HB- 101 LEU MDY 5.50 (# 2105:20 Unique
3.78, 7.36 A)
&rst
ixpk= 2105, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=1552,1553,
igr2=1501,1502,1503,1505,1506,1507,
&end
#
# 88 THR HN 88 THR HB 5.50 (# 2106:20 Unique
2.67, 3.35 A)
&rst
ixpk= 2106, nxpk= 20, iat=1281,1285, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 20-2:2107 88 THR HB 5.50 (# 2107:20 Single
Ambig)
&rst
ixpk= 2107, nxpk= 20, iat= -1,1285, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1295,1309,
&end
#
# 0 AMB 20-2:2108 2 THR HB 4.50 (# 2108:20 Single
Ambig)
&rst
ixpk= 2108, nxpk= 20, iat= -1, 25, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1= 53, 54, 55, 57, 58, 59, 735, 736, 737, 739,
740, 741,
&end
#
# 0 AMB 20-2:2109 2 THR HB 5.50 (# 2109:20 Single
Ambig)
&rst
ixpk= 2109, nxpk= 20, iat= -1, 25, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 776, 777, 773, 774,
&end
#
# 55 PRO HB+ 2 THR HB 5.50 (# 2110:20 Unique
3.15, 4.39 A)
&rst
ixpk= 2110, nxpk= 20, iat= -1, 25, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 776, 777,
&end
#
# 2 THR HA 2 THR HB 5.50 (# 2111:20 Unique
3.01, 3.03 A)
&rst
ixpk= 2111, nxpk= 20, iat= 23, 25, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 56 THR HN 2 THR HB 5.50 (# 2112:20 Unique
2.51, 2.74 A)
&rst
ixpk= 2112, nxpk= 20, iat= 783, 25, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 73 ILE QG2 75 ILE QD1 5.50 (# 2113:20 Unique
4.01, 5.81 A)
&rst
ixpk= 2113, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4=
8.43,
igr1=1041,1042,1043,
igr2=1091,1092,1093,
&end
#
# 59 LEU MDY 75 ILE QD1 5.50 (# 2114:20 Unique
4.02, 6.03 A)
&rst
ixpk= 2114, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4=
9.40,
igr1= 849, 850, 851, 853, 854, 855,
igr2=1091,1092,1093,
&end
#
# 0 AMB 20-2:2115 75 ILE QD1 5.50 (# 2115:20 Single
Ambig)
&rst
ixpk= 2115, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=2213,2214,2262,2263,
igr2=1091,1092,1093,
&end
#
# 75 ILE HN 75 ILE QD1 5.50 (# 2116:20 Unique
3.20, 4.08 A)
&rst
ixpk= 2116, nxpk= 20, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=1091,1092,1093,
&end
#
# 0 AMB 20-2:2117 75 ILE QD1 5.50 (# 2117:20 Single
Ambig)
&rst
ixpk= 2117, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1619,2247,
igr2=1091,1092,1093,
&end
#
# 0 AMB 20-2:2118 56 THR HB 5.50 (# 2118:20 Single
Ambig)
&rst
ixpk= 2118, nxpk= 20, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 804, 805, 804, 805,
&end
#
# 0 AMB 20-2:2119 56 THR HB 5.50 (# 2119:20 Single
Ambig)
&rst
ixpk= 2119, nxpk= 20, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 801, 802, 776, 777,
&end
#
# 57 ARG HB+ 56 THR HB 5.50 (# 2120:20 Unique
2.99, 4.31 A)
&rst
ixpk= 2120, nxpk= 20, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 801, 802,
&end
#
# 89 THR HN 89 THR HB 5.50 (# 2121:20 Unique
2.74, 3.73 A)
&rst
ixpk= 2121, nxpk= 20, iat=1295,1299, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 131 ALA MB 134 THR HB 5.50 (# 2122:20 Unique
4.10, 4.60 A)
&rst
ixpk= 2122, nxpk= 20, iat= -1,2022, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1981,1982,1983,
&end
#
# 0 AMB 20-2:2123 134 THR HB 5.50 (# 2123:20 Single
Ambig)
&rst
ixpk= 2123, nxpk= 20, iat= -1,2022, r1= 1.30, r2= 1.80, r3= 7.61, r4=
8.11,
igr1=2007,2008,2090,2091,2090,2091,1991,
&end
#
# 134 THR HA 134 THR HB 5.50 (# 2124:20 Unique
2.98, 3.01 A)
&rst
ixpk= 2124, nxpk= 20, iat=2020,2022, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 20-2:2125 135 VAL HA 4.50 (# 2125:20 Single
Ambig)
&rst
ixpk= 2125, nxpk= 20, iat= -1,2034, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1=1665,1666,1667,1669,1670,1671, 884, 885, 886, 888,
889, 890,
&end
#
# 134 THR MG2 135 VAL HA 4.50 (# 2126:20 Unique
3.56, 4.56 A)
&rst
ixpk= 2126, nxpk= 20, iat= -1,2034, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1=2024,2025,2026,
&end
#
# 138 ARG HG+ 135 VAL HA 5.50 (# 2127:20 Unique
3.89, 4.86 A)
&rst
ixpk= 2127, nxpk= 20, iat= -1,2034, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=2093,2094,
&end
#
# 0 AMB 20-2:2128 135 VAL HA 5.50 (# 2128:20 Single
Ambig)
&rst
ixpk= 2128, nxpk= 20, iat= -1,2034, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=2110,2233,2241,
&end
#
# 138 ARG HN 135 VAL HA 5.50 (# 2129:20 Unique
3.28, 3.47 A)
&rst
ixpk= 2129, nxpk= 20, iat=2086,2034, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 136 TYR HN 135 VAL HA 5.50 (# 2130:20 Unique
3.59, 3.62 A)
&rst
ixpk= 2130, nxpk= 20, iat=2048,2034, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 20-2:2131 132 VAL HA 4.50 (# 2131:20 Single
Ambig)
&rst
ixpk= 2131, nxpk= 20, iat= -1,1989, r1= 1.30, r2= 1.80, r3= 6.22, r4=
6.72,
igr1= 286, 287, 236, 237, 238,1692,1693,
&end
#
# 0 AMB 20-2:2132 132 VAL HA 5.50 (# 2132:20 Single
Ambig)
&rst
ixpk= 2132, nxpk= 20, iat= -1,1989, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1981,1982,1983, 882,
&end
#
# 135 VAL HA 132 VAL HA 5.50 (# 2133:20 Unique
5.39, 5.52 A)
&rst
ixpk= 2133, nxpk= 20, iat=2034,1989, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 133 GLU HN 132 VAL HA 5.50 (# 2134:20 Unique
3.60, 3.62 A)
&rst
ixpk= 2134, nxpk= 20, iat=2003,1989, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 135 VAL HN 132 VAL HA 5.50 (# 2135:20 Unique
3.11, 3.22 A)
&rst
ixpk= 2135, nxpk= 20, iat=2032,1989, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 136 TYR HN 132 VAL HA 5.50 (# 2136:20 Unique
3.86, 3.97 A)
&rst
ixpk= 2136, nxpk= 20, iat=2048,1989, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 137 GLN HB- 134 THR HA 4.50 (# 2137:20 Unique
2.53, 4.62 A)
&rst
ixpk= 2137, nxpk= 20, iat= -1,2020, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=2073,2074,
&end
#
# 0 AMB 20-2:2138 134 THR HA 5.50 (# 2138:20 Single
Ambig)
&rst
ixpk= 2138, nxpk= 20, iat= -1,2020, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2073,2074,2010,2011,
&end
#
# 134 THR HB 134 THR HA 5.50 (# 2140:20 Unique
2.98, 3.01 A)
&rst
ixpk= 2140, nxpk= 20, iat=2022,2020, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 20-2:2141 48 VAL HA 5.50 (# 2141:20 Single
Ambig)
&rst
ixpk= 2141, nxpk= 20, iat= -1, 644, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 697, 698, 697, 698,
&end
#
# 51 ARG HN 48 VAL HA 4.50 (# 2142:20 Unique
3.34, 3.44 A)
&rst
ixpk= 2142, nxpk= 20, iat= 687, 644, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 128 ILE QD1 127 PRO HA 5.50 (# 2143:20 Unique
4.63, 5.52 A)
&rst
ixpk= 2143, nxpk= 20, iat= -1,1920, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1937,1938,1939,
&end
#
# 127 PRO HD- 127 PRO HA 4.50 (# 2144:20 Unique
3.10, 3.66 A)
&rst
ixpk= 2144, nxpk= 20, iat= -1,1920, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1911,1912,
&end
#
# 0 AMB 20-2:2145 127 PRO HA 3.50 (# 2145:20 Single
Ambig)
&rst
ixpk= 2145, nxpk= 20, iat= -1,1920, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1=1911,1912,1895,
&end
#
# 128 ILE HN 127 PRO HA 5.50 (# 2146:20 Unique
3.65, 3.70 A)
&rst
ixpk= 2146, nxpk= 20, iat=1924,1920, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 131 ALA HN 127 PRO HA 5.50 (# 2147:20 Unique
3.95, 4.12 A)
&rst
ixpk= 2147, nxpk= 20, iat=1977,1920, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 130 ASP HN 127 PRO HA 5.50 (# 2148:20 Unique
3.39, 3.50 A)
&rst
ixpk= 2148, nxpk= 20, iat=1965,1920, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 20-2:2149 128 ILE HA 5.50 (# 2149:20 Single
Ambig)
&rst
ixpk= 2149, nxpk= 20, iat= -1,1926, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=1869,1870,1969,1970,1969,1970, 205, 206,
&end
#
# 71 GLY HA- 128 ILE HA 5.50 (# 2150:20 Unique
2.41, 2.90 A)
&rst
ixpk= 2150, nxpk= 20, iat= -1,1926, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1015,1016,
&end
#
# 7 CYS HB+ 20 PRO HA 5.50 (# 2151:20 Unique
3.04, 3.80 A)
&rst
ixpk= 2151, nxpk= 20, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 105, 106,
&end
#
# 20 PRO HD- 20 PRO HA 5.50 (# 2152:20 Unique
3.35, 3.61 A)
&rst
ixpk= 2152, nxpk= 20, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 250, 251,
&end
#
# 81 ILE HN 78 PRO HA 5.50 (# 2153:20 Unique
2.98, 3.18 A)
&rst
ixpk= 2153, nxpk= 20, iat=1166,1138, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 80 ASP HN 78 PRO HA 5.50 (# 2154:20 Unique
3.68, 3.83 A)
&rst
ixpk= 2154, nxpk= 20, iat=1154,1138, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 79 ASP HN 78 PRO HA 5.50 (# 2155:20 Unique
3.53, 3.55 A)
&rst
ixpk= 2155, nxpk= 20, iat=1142,1138, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 129 LYS HN 128 ILE HA 5.50 (# 2156:20 Unique
3.59, 3.61 A)
&rst
ixpk= 2156, nxpk= 20, iat=1943,1926, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 131 ALA HN 128 ILE HA 5.50 (# 2157:20 Unique
3.13, 3.19 A)
&rst
ixpk= 2157, nxpk= 20, iat=1977,1926, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 132 VAL HN 128 ILE HA 5.50 (# 2158:20 Unique
4.00, 4.12 A)
&rst
ixpk= 2158, nxpk= 20, iat=1987,1926, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 51 ARG HN 0 AMB 20-1:2159 5.50 (# 2159:20 Single
Ambig)
&rst
ixpk= 2159, nxpk= 20, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 670, 625,
&end
#
# 0 AMB 20-2:2160 98 ILE HA 5.50 (# 2160:20 Single
Ambig)
&rst
ixpk= 2160, nxpk= 20, iat= -1,1446, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1492,1475,
&end
#
# 0 AMB 20-2:2161 98 ILE HA 5.50 (# 2161:20 Single
Ambig)
&rst
ixpk= 2161, nxpk= 20, iat= -1,1446, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1463,1511,
&end
#
# 72 GLU HN 70 PRO HA 5.50 (# 2162:20 Unique
3.28, 3.40 A)
&rst
ixpk= 2162, nxpk= 20, iat=1020,1009, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 71 GLY HA- 70 PRO HA 5.50 (# 2164:20 Unique
4.40, 4.46 A)
&rst
ixpk= 2164, nxpk= 20, iat= -1,1009, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1015,1016,
&end
#
# 42 ALA MB 43 PRO HA 5.50 (# 2165:20 Unique
4.83, 5.48 A)
&rst
ixpk= 2165, nxpk= 20, iat= -1, 578, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1= 562, 563, 564,
&end
#
# 46 ASP HB- 43 PRO HA 5.50 (# 2166:20 Unique
2.52, 3.57 A)
&rst
ixpk= 2166, nxpk= 20, iat= -1, 578, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 615, 616,
&end
#
# 46 ASP HB+ 43 PRO HA 5.50 (# 2167:20 Unique
2.52, 3.57 A)
&rst
ixpk= 2167, nxpk= 20, iat= -1, 578, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 615, 616,
&end
#
# 43 PRO HD+ 43 PRO HA 4.50 (# 2168:20 Unique
3.44, 3.79 A)
&rst
ixpk= 2168, nxpk= 20, iat= -1, 578, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 569, 570,
&end
#
# 0 AMB 20-2:2169 43 PRO HA 5.50 (# 2169:20 Single
Ambig)
&rst
ixpk= 2169, nxpk= 20, iat= -1, 578, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1= 584, 542, 543,
&end
#
# 44 GLU HN 43 PRO HA 5.50 (# 2170:20 Unique
3.51, 3.54 A)
&rst
ixpk= 2170, nxpk= 20, iat= 582, 578, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 20-2:2171 0 AMB 20-1:2171 5.50 (# 2171:20 Double
Ambig)
&rst
ixpk= 2171, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1= 128, 558,
igr2= 551, 552, 551, 552,
&end
#
# 41 SER HN 41 SER HB+ 5.50 (# 2172:20 Unique
2.32, 3.25 A)
&rst
ixpk= 2172, nxpk= 20, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 551, 552,
&end
#
# 0 AMB 20-2:2173 41 SER HB- 5.50 (# 2173:20 Single
Ambig)
&rst
ixpk= 2173, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 128, 558,
igr2= 551, 552,
&end
#
# 41 SER HN 41 SER HB- 4.50 (# 2174:20 Unique
2.32, 3.25 A)
&rst
ixpk= 2174, nxpk= 20, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 551, 552,
&end
#
# 85 PHE HD 81 ILE HA 5.50 (# 2175:20 Unique
2.37, 4.83 A)
&rst
ixpk= 2175, nxpk= 20, iat= -1,1168, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1235,1243,
&end
#
# 136 TYR HD 26 CYS HA 5.50 (# 2176:20 Unique
2.66, 5.27 A)
&rst
ixpk= 2176, nxpk= 20, iat= -1, 350, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=2056,2065,
&end
#
# 29 ALA HN 26 CYS HA 5.50 (# 2177:20 Unique
2.99, 3.17 A)
&rst
ixpk= 2177, nxpk= 20, iat= 379, 350, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 20 PRO HB- 11 SER HB+ 5.50 (# 2178:20 Unique
2.77, 3.69 A)
&rst
ixpk= 2178, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 256, 257,
igr2= 153, 154,
&end
#
# 11 SER HN 11 SER HB+ 5.50 (# 2179:20 Unique
2.79, 3.11 A)
&rst
ixpk= 2179, nxpk= 20, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 153, 154,
&end
#
# 0 AMB 20-2:2180 30 PRO HA 5.50 (# 2180:20 Single
Ambig)
&rst
ixpk= 2180, nxpk= 20, iat= -1, 399, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 407, 408, 330, 331,
&end
#
# 30 PRO HB- 30 PRO HA 4.50 (# 2181:20 Unique
2.26, 2.52 A)
&rst
ixpk= 2181, nxpk= 20, iat= -1, 399, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 396, 397,
&end
#
# 81 ILE HG1- 81 ILE HA 4.50 (# 2182:20 Unique
2.35, 2.65 A)
&rst
ixpk= 2182, nxpk= 20, iat= -1,1168, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1176,1177,
&end
#
# 20 PRO HB+ 11 SER HB- 5.50 (# 2183:20 Unique
2.77, 3.69 A)
&rst
ixpk= 2183, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 256, 257,
igr2= 153, 154,
&end
#
# 84 MET HN 81 ILE HA 5.50 (# 2184:20 Unique
3.35, 3.49 A)
&rst
ixpk= 2184, nxpk= 20, iat=1210,1168, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 12 MET HN 11 SER HB- 5.50 (# 2185:20 Unique
3.16, 3.80 A)
&rst
ixpk= 2185, nxpk= 20, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 153, 154,
&end
#
# 35 VAL HN 35 VAL HA 4.50 (# 2186:20 Unique
2.78, 2.84 A)
&rst
ixpk= 2186, nxpk= 20, iat= 470, 472, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 105 ILE QG2 56 THR HA 4.50 (# 2187:20 Unique
3.81, 5.02 A)
&rst
ixpk= 2187, nxpk= 20, iat= -1, 785, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1=1566,1567,1568,
&end
#
# 57 ARG HN 56 THR HA 5.50 (# 2188:20 Unique
3.54, 3.56 A)
&rst
ixpk= 2188, nxpk= 20, iat= 797, 785, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 20-2:2190 2 THR HA 5.50 (# 2190:20 Single
Ambig)
&rst
ixpk= 2190, nxpk= 20, iat= -1, 23, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 476, 477, 478, 480, 481, 482, 53, 54, 55, 57,
58, 59,
&end
#
# 3 ASP HA 2 THR HA 5.50 (# 2191:20 Unique
4.51, 4.53 A)
&rst
ixpk= 2191, nxpk= 20, iat= 37, 23, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 123 PRO HD- 123 PRO HA 5.50 (# 2192:20 Unique
3.65, 3.89 A)
&rst
ixpk= 2192, nxpk= 20, iat= -1,1858, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1849,1850,
&end
#
# 120 PHE HD 120 PHE HA 5.50 (# 2193:20 Unique
2.92, 3.79 A)
&rst
ixpk= 2193, nxpk= 20, iat= -1,1788, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1794,1802,
&end
#
# 121 TYR HN 120 PHE HA 3.50 (# 2194:20 Unique
2.04, 2.11 A)
&rst
ixpk= 2194, nxpk= 20, iat=1806,1788, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 15 ASP HN 15 ASP HA 5.50 (# 2195:20 Unique
2.84, 2.88 A)
&rst
ixpk= 2195, nxpk= 20, iat= 201, 203, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 148 PHE HN 148 PHE HA 3.50 (# 2196:20 Unique
2.82, 2.88 A)
&rst
ixpk= 2196, nxpk= 20, iat=2225,2227, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 124 MET HB+ 15 ASP HA 5.50 (# 2197:20 Unique
2.87, 3.99 A)
&rst
ixpk= 2197, nxpk= 20, iat= -1, 203, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1866,1867,
&end
#
# 43 PRO HD- 41 SER HA 5.50 (# 2198:20 Unique
3.04, 3.91 A)
&rst
ixpk= 2198, nxpk= 20, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 569, 570,
&end
#
# 20 PRO HG+ 41 SER HA 5.50 (# 2199:20 Unique
5.29, 6.05 A)
&rst
ixpk= 2199, nxpk= 20, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 253, 254,
&end
#
# 8 VAL MGY 41 SER HA 5.50 (# 2200:20 Unique
3.24, 5.66 A)
&rst
ixpk= 2200, nxpk= 20, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 118, 119, 120, 122, 123, 124,
&end
#
# 42 ALA MB 41 SER HA 5.50 (# 2201:20 Unique
4.98, 5.69 A)
&rst
ixpk= 2201, nxpk= 20, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1= 562, 563, 564,
&end
#
# 142 TRP HB- 139 LEU HA 4.50 (# 2203:20 Unique
1.98, 2.80 A)
&rst
ixpk= 2203, nxpk= 20, iat= -1,2112, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=2155,2156,
&end
#
# 0 AMB 20-2:2204 57 ARG HA 5.50 (# 2204:20 Single
Ambig)
&rst
ixpk= 2204, nxpk= 20, iat= -1, 799, r1= 1.30, r2= 1.80, r3= 9.34, r4=
9.84,
igr1=1607,1608,1609,1611,1612,1613,1607,1608,1609,1611,
1612,1613, 53, 54, 55, 57, 58, 59, 830, 831,
832, 834, 835, 836,
&end
#
# 0 AMB 20-2:2205 57 ARG HA 5.50 (# 2205:20 Single
Ambig)
&rst
ixpk= 2205, nxpk= 20, iat= -1, 799, r1= 1.30, r2= 1.80, r3= 7.19, r4=
7.69,
igr1= 825, 826,1630,1631,1632,
&end
#
# 58 LEU HA 57 ARG HA 5.50 (# 2206:20 Unique
4.45, 4.50 A)
&rst
ixpk= 2206, nxpk= 20, iat= 823, 799, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 20-2:2207 54 ARG HA 5.50 (# 2207:20 Single
Ambig)
&rst
ixpk= 2207, nxpk= 20, iat= -1, 747, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 755, 756, 755, 756,
&end
#
# 26 CYS HB- 23 ALA HA 5.50 (# 2208:20 Unique
2.30, 3.49 A)
&rst
ixpk= 2208, nxpk= 20, iat= -1, 303, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 352, 353,
&end
#
# 0 AMB 20-2:2210 23 ALA HA 4.50 (# 2210:20 Single
Ambig)
&rst
ixpk= 2210, nxpk= 20, iat= -1, 303, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1= 291, 292, 293, 295, 296, 297, 492, 493, 494, 496,
497, 498,
&end
#
# 5 LEU MDX 23 ALA HA 5.50 (# 2211:20 Unique
3.06, 5.79 A)
&rst
ixpk= 2211, nxpk= 20, iat= -1, 303, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 72, 73, 74, 76, 77, 78,
&end
#
# 113 ILE QD1 18 ALA HA 5.50 (# 2212:20 Unique
4.61, 5.34 A)
&rst
ixpk= 2212, nxpk= 20, iat= -1, 234, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1695,1696,1697,
&end
#
# 0 AMB 20-2:2213 100 GLN HA 5.50 (# 2213:20 Single
Ambig)
&rst
ixpk= 2213, nxpk= 20, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 7.93, r4=
8.43,
igr1= 629, 630, 631, 636, 637, 638,1450,1451,1452,
&end
#
# 105 ILE HN 103 GLU HA 5.50 (# 2215:20 Unique
3.65, 4.75 A)
&rst
ixpk= 2215, nxpk= 20, iat=1560,1535, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 126 GLN HN 125 THR HB 4.50 (# 2216:20 Unique
2.69, 2.84 A)
&rst
ixpk= 2216, nxpk= 20, iat=1893,1883, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 125 THR MG2 125 THR HB 3.50 (# 2217:20 Unique
2.20, 2.62 A)
&rst
ixpk= 2217, nxpk= 20, iat= -1,1883, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1=1885,1886,1887,
&end
#
# 126 GLN HB- 125 THR HB 5.50 (# 2218:20 Unique
4.22, 4.75 A)
&rst
ixpk= 2218, nxpk= 20, iat= -1,1883, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1897,1898,
&end
#
# 127 PRO HD- 125 THR HB 3.50 (# 2220:20 Unique
1.96, 2.87 A)
&rst
ixpk= 2220, nxpk= 20, iat= -1,1883, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1911,1912,
&end
#
# 0 AMB 20-2:2221 64 THR HB 4.50 (# 2221:20 Single
Ambig)
&rst
ixpk= 2221, nxpk= 20, iat= -1, 920, r1= 1.30, r2= 1.80, r3= 5.88, r4=
6.38,
igr1= 953, 954, 955,1214,1215,
&end
#
# 66 MET HG- 64 THR HB 5.50 (# 2222:20 Unique
2.74, 3.58 A)
&rst
ixpk= 2222, nxpk= 20, iat= -1, 920, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 949, 950,
&end
#
# 76 ILE QD1 64 THR HB 4.50 (# 2223:20 Unique
2.53, 3.28 A)
&rst
ixpk= 2223, nxpk= 20, iat= -1, 920, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1=1110,1111,1112,
&end
#
# 66 MET HG+ 64 THR HB 5.50 (# 2224:20 Unique
2.74, 3.58 A)
&rst
ixpk= 2224, nxpk= 20, iat= -1, 920, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 949, 950,
&end
#
# 112 GLY HA- 64 THR HB 5.50 (# 2225:20 Unique
2.29, 3.06 A)
&rst
ixpk= 2225, nxpk= 20, iat= -1, 920, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1677,1678,
&end
#
# 112 GLY HA+ 64 THR HB 5.50 (# 2226:20 Unique
2.29, 3.06 A)
&rst
ixpk= 2226, nxpk= 20, iat= -1, 920, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1677,1678,
&end
#
# 113 ILE HN 64 THR HB 5.50 (# 2227:20 Unique
3.48, 3.68 A)
&rst
ixpk= 2227, nxpk= 20, iat=1682, 920, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 64 THR HN 64 THR HB 5.50 (# 2228:20 Unique
2.88, 2.95 A)
&rst
ixpk= 2228, nxpk= 20, iat= 916, 920, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 65 ASP HN 64 THR HB 5.50 (# 2229:20 Unique
3.84, 3.93 A)
&rst
ixpk= 2229, nxpk= 20, iat= 930, 920, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 96 TYR HD 47 ILE QD1 5.50 (# 2230:20 Unique
4.23, 6.80 A)
&rst
ixpk= 2230, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1412,1421,
igr2= 636, 637, 638,
&end
#
# 100 GLN HE2- 47 ILE QD1 5.50 (# 2231:20 Unique
1.99, 3.98 A)
&rst
ixpk= 2231, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1487,1488,
igr2= 636, 637, 638,
&end
#
# 0 AMB 20-2:2232 47 ILE QD1 5.50 (# 2232:20 Single
Ambig)
&rst
ixpk= 2232, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1475,1492,
igr2= 636, 637, 638,
&end
#
# 45 ASN HN 47 ILE QD1 5.50 (# 2233:20 Unique
4.91, 6.01 A)
&rst
ixpk= 2233, nxpk= 20, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2= 636, 637, 638,
&end
#
# 51 ARG HN 50 ILE QD1 5.50 (# 2234:20 Unique
4.21, 5.12 A)
&rst
ixpk= 2234, nxpk= 20, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2= 681, 682, 683,
&end
#
# 46 ASP HA 50 ILE QD1 5.50 (# 2235:20 Unique
4.81, 5.59 A)
&rst
ixpk= 2235, nxpk= 20, iat= 613, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2= 681, 682, 683,
&end
#
# 46 ASP HB- 50 ILE QD1 5.50 (# 2236:20 Unique
2.43, 4.11 A)
&rst
ixpk= 2236, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 615, 616,
igr2= 681, 682, 683,
&end
#
# 112 GLY HA+ 76 ILE QD1 5.50 (# 2237:20 Unique
2.18, 3.75 A)
&rst
ixpk= 2237, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1677,1678,
igr2=1110,1111,1112,
&end
#
# 0 AMB 20-2:2238 76 ILE QD1 3.50 (# 2238:20 Single
Ambig)
&rst
ixpk= 2238, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00,
igr1=1214,1215, 953, 954, 955,
igr2=1110,1111,1112,
&end
#
# 0 AMB 20-2:2239 98 ILE QD1 3.50 (# 2239:20 Single
Ambig)
&rst
ixpk= 2239, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1=1392,1138,
igr2=1457,1458,1459,
&end
#
# 0 AMB 20-2:2240 76 ILE QD1 5.50 (# 2240:20 Single
Ambig)
&rst
ixpk= 2240, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1684, 932,
igr2=1110,1111,1112,
&end
#
# 135 VAL HB 113 ILE QD1 4.50 (# 2241:20 Unique
3.58, 4.59 A)
&rst
ixpk= 2241, nxpk= 20, iat=2036, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr2=1695,1696,1697,
&end
#
# 0 AMB 20-2:2243 113 ILE QD1 5.50 (# 2243:20 Single
Ambig)
&rst
ixpk= 2243, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4=
8.43,
igr1= 908,1677,1678,
igr2=1695,1696,1697,
&end
#
# 0 AMB 20-2:2244 113 ILE QD1 5.50 (# 2244:20 Single
Ambig)
&rst
ixpk= 2244, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 234,1945,
igr2=1695,1696,1697,
&end
#
# 73 ILE HG1+ 113 ILE QD1 4.50 (# 2245:20 Unique
3.50, 4.37 A)
&rst
ixpk= 2245, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1045,1046,
igr2=1695,1696,1697,
&end
#
# 110 PHE HB- 81 ILE QD1 5.50 (# 2246:20 Unique
2.22, 2.94 A)
&rst
ixpk= 2246, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1640,1641,
igr2=1179,1180,1181,
&end
#
# 81 ILE HG1- 81 ILE QD1 2.80 (# 2247:20 Unique
2.29, 2.65 A)
&rst
ixpk= 2247, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1=1176,1177,
igr2=1179,1180,1181,
&end
#
# 0 AMB 20-2:2248 81 ILE QD1 2.80 (# 2248:20 Single
Ambig)
&rst
ixpk= 2248, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4=
5.03,
igr1=1457,1458,1459,1172,1173,1174,
igr2=1179,1180,1181,
&end
#
# 36 VAL HA 37 ILE QD1 5.50 (# 2249:20 Unique
5.95, 6.59 A)
&rst
ixpk= 2249, nxpk= 20, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2= 515, 516, 517,
&end
#
# 6 LEU HA 37 ILE QD1 5.50 (# 2250:20 Unique
4.81, 5.71 A)
&rst
ixpk= 2250, nxpk= 20, iat= 84, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2= 515, 516, 517,
&end
#
# 0 AMB 20-2:2251 37 ILE QD1 5.50 (# 2251:20 Single
Ambig)
&rst
ixpk= 2251, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4=
8.43,
igr1= 521, 486, 101,
igr2= 515, 516, 517,
&end
#
# 37 ILE HN 37 ILE QD1 5.50 (# 2252:20 Unique
4.86, 5.33 A)
&rst
ixpk= 2252, nxpk= 20, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2= 515, 516, 517,
&end
#
# 0 AMB 20-2:2253 98 ILE QD1 3.50 (# 2253:20 Single
Ambig)
&rst
ixpk= 2253, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1=1132,1133,1135,1136,
igr2=1457,1458,1459,
&end
#
# 110 PHE HB- 98 ILE QD1 4.50 (# 2254:20 Unique
2.29, 3.95 A)
&rst
ixpk= 2254, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1640,1641,
igr2=1457,1458,1459,
&end
#
# 80 ASP HB+ 81 ILE QD1 5.50 (# 2255:20 Unique
5.56, 7.18 A)
&rst
ixpk= 2255, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1158,1159,
igr2=1179,1180,1181,
&end
#
# 110 PHE HD 81 ILE QD1 5.50 (# 2256:20 Unique
2.43, 4.45 A)
&rst
ixpk= 2256, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1644,1652,
igr2=1179,1180,1181,
&end
#
# 0 AMB 20-2:2257 81 ILE QD1 5.50 (# 2257:20 Single
Ambig)
&rst
ixpk= 2257, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1185,1227,
igr2=1179,1180,1181,
&end
#
# 53 LEU HN 37 ILE QD1 5.50 (# 2258:20 Unique
4.99, 5.57 A)
&rst
ixpk= 2258, nxpk= 20, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2= 515, 516, 517,
&end
#
# 95 ASN HD2- 98 ILE QD1 5.50 (# 2259:20 Unique
3.09, 7.59 A)
&rst
ixpk= 2259, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1399,1400,
igr2=1457,1458,1459,
&end
#
# 85 PHE HD 81 ILE QD1 5.50 (# 2260:20 Unique
3.85, 6.82 A)
&rst
ixpk= 2260, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1235,1243,
igr2=1179,1180,1181,
&end
#
# 81 ILE HN 81 ILE QD1 5.50 (# 2261:20 Unique
3.86, 4.43 A)
&rst
ixpk= 2261, nxpk= 20, iat=1166, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=1179,1180,1181,
&end
#
# 18 ALA HN 113 ILE QD1 5.50 (# 2262:20 Unique
5.85, 6.84 A)
&rst
ixpk= 2262, nxpk= 20, iat= 232, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=1695,1696,1697,
&end
#
# 113 ILE HN 113 ILE QD1 5.50 (# 2263:20 Unique
4.09, 4.85 A)
&rst
ixpk= 2263, nxpk= 20, iat=1682, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=1695,1696,1697,
&end
#
# 0 AMB 20-2:2264 113 ILE QD1 5.50 (# 2264:20 Single
Ambig)
&rst
ixpk= 2264, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 894,2032,
igr2=1695,1696,1697,
&end
#
# 132 VAL HN 113 ILE QD1 5.50 (# 2265:20 Unique
3.50, 4.57 A)
&rst
ixpk= 2265, nxpk= 20, iat=1987, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=1695,1696,1697,
&end
#
# 0 AMB 20-2:2266 113 ILE QD1 5.50 (# 2266:20 Single
Ambig)
&rst
ixpk= 2266, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1054,1701,
igr2=1695,1696,1697,
&end
#
# 6 LEU HA 50 ILE QD1 5.50 (# 2267:20 Unique
4.86, 5.92 A)
&rst
ixpk= 2267, nxpk= 20, iat= 84, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2= 681, 682, 683,
&end
#
# 59 LEU HA 109 ILE QD1 4.50 (# 2268:20 Unique
2.82, 4.03 A)
&rst
ixpk= 2268, nxpk= 20, iat= 842, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr2=1630,1631,1632,
&end
#
# 0 AMB 20-2:2270 109 ILE QD1 5.50 (# 2270:20 Single
Ambig)
&rst
ixpk= 2270, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 840, 859,
igr2=1630,1631,1632,
&end
#
# 0 AMB 20-2:2272 109 ILE QD1 5.50 (# 2272:20 Single
Ambig)
&rst
ixpk= 2272, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=2192,2193,2192,2193,
igr2=1630,1631,1632,
&end
#
# 59 LEU MDX 109 ILE QD1 5.50 (# 2273:20 Unique
2.74, 5.67 A)
&rst
ixpk= 2273, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4=
9.40,
igr1= 849, 850, 851, 853, 854, 855,
igr2=1630,1631,1632,
&end
#
# 148 PHE HB+ 73 ILE QG2 5.50 (# 2274:20 Unique
2.72, 4.56 A)
&rst
ixpk= 2274, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=2229,2230,
igr2=1041,1042,1043,
&end
#
# 113 ILE HA 73 ILE QG2 5.50 (# 2275:20 Unique
3.88, 4.99 A)
&rst
ixpk= 2275, nxpk= 20, iat=1684, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=1041,1042,1043,
&end
#
# 74 ARG HA 73 ILE QG2 5.50 (# 2276:20 Unique
3.52, 4.73 A)
&rst
ixpk= 2276, nxpk= 20, iat=1056, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=1041,1042,1043,
&end
#
# 73 ILE HN 73 ILE QG2 5.50 (# 2278:20 Unique
4.25, 4.48 A)
&rst
ixpk= 2278, nxpk= 20, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=1041,1042,1043,
&end
#
# 0 AMB 20-2:2279 73 ILE QG2 5.50 (# 2279:20 Single
Ambig)
&rst
ixpk= 2279, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=2245,1675,
igr2=1041,1042,1043,
&end
#
# 0 AMB 20-2:2280 0 AMB 20-1:2280 5.50 (# 2280:20 Double
Ambig)
&rst
ixpk= 2280, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4=
9.40,
igr1=1781,1782,1446,
igr2=1757,1758,1759, 865, 866, 867,
&end
#
# 55 PRO HD+ 105 ILE QG2 4.50 (# 2281:20 Unique
4.28, 5.91 A)
&rst
ixpk= 2281, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1= 770, 771,
igr2=1566,1567,1568,
&end
#
# 80 ASP HA 76 ILE QG2 5.50 (# 2282:20 Unique
4.78, 5.40 A)
&rst
ixpk= 2282, nxpk= 20, iat=1156, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=1103,1104,1105,
&end
#
# 0 AMB 20-2:2283 76 ILE QG2 5.50 (# 2283:20 Single
Ambig)
&rst
ixpk= 2283, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4=
8.43,
igr1=1118,2257,1080,
igr2=1103,1104,1105,
&end
#
# 77 ASP HB+ 76 ILE QG2 5.50 (# 2284:20 Unique
4.23, 5.69 A)
&rst
ixpk= 2284, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1120,1121,
igr2=1103,1104,1105,
&end
#
# 145 ASN HB- 75 ILE QG2 5.50 (# 2285:20 Unique
3.30, 5.87 A)
&rst
ixpk= 2285, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=2201,2202,
igr2=1084,1085,1086,
&end
#
# 145 ASN HB+ 75 ILE QG2 5.50 (# 2286:20 Unique
3.30, 5.87 A)
&rst
ixpk= 2286, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=2201,2202,
igr2=1084,1085,1086,
&end
#
# 124 MET HN 124 MET ME 4.50 (# 2288:20 Unique
4.52, 5.59 A)
&rst
ixpk= 2288, nxpk= 20, iat=1862, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr2=1873,1874,1875,
&end
#
# 0 AMB 20-2:2289 0 AMB 20-1:2289 5.50 (# 2289:20 Double
Ambig)
&rst
ixpk= 2289, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70,
r4=10.20,
igr1= 151,1015,1016, 153, 154,
igr2=1873,1874,1875, 953, 954, 955,
&end
#
# 0 AMB 20-2:2290 0 AMB 20-1:2290 5.50 (# 2290:20 Double
Ambig)
&rst
ixpk= 2290, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 265,2274,
igr2=1873,1874,1875, 953, 954, 955,
&end
#
# 72 GLU HN 66 MET ME 5.50 (# 2291:20 Unique
4.27, 4.88 A)
&rst
ixpk= 2291, nxpk= 20, iat=1020, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2= 953, 954, 955,
&end
#
# 68 LEU HN 66 MET ME 5.50 (# 2292:20 Unique
3.92, 4.84 A)
&rst
ixpk= 2292, nxpk= 20, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2= 953, 954, 955,
&end
#
# 0 AMB 20-2:2293 66 MET ME 4.50 (# 2293:20 Single
Ambig)
&rst
ixpk= 2293, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1= 916,1035,
igr2= 953, 954, 955,
&end
#
# 0 AMB 20-2:2294 66 MET ME 5.50 (# 2294:20 Single
Ambig)
&rst
ixpk= 2294, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4=
8.43,
igr1=1677,1678, 908,
igr2= 953, 954, 955,
&end
#
# 129 LYS HN 128 ILE QD1 5.50 (# 2295:20 Unique
4.43, 5.20 A)
&rst
ixpk= 2295, nxpk= 20, iat=1943, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=1937,1938,1939,
&end
#
# 116 ASP HB+ 128 ILE QD1 5.50 (# 2296:20 Unique
2.50, 4.22 A)
&rst
ixpk= 2296, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1736,1737,
igr2=1937,1938,1939,
&end
#
# 116 ASP HB- 128 ILE QD1 5.50 (# 2297:20 Unique
2.50, 4.22 A)
&rst
ixpk= 2297, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1736,1737,
igr2=1937,1938,1939,
&end
#
# 127 PRO HB- 128 ILE QD1 3.50 (# 2298:20 Unique
2.27, 4.23 A)
&rst
ixpk= 2298, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1=1917,1918,
igr2=1937,1938,1939,
&end
#
# 104 ASP HB+ 105 ILE QD1 5.50 (# 2299:20 Unique
4.12, 6.19 A)
&rst
ixpk= 2299, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1552,1553,
igr2=1573,1574,1575,
&end
#
# 0 AMB 20-2:2300 105 ILE QD1 5.50 (# 2300:20 Single
Ambig)
&rst
ixpk= 2300, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1494, 779,
igr2=1573,1574,1575,
&end
#
# 39 GLY HA+ 37 ILE QG2 5.50 (# 2302:20 Unique
3.98, 5.07 A)
&rst
ixpk= 2302, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 535, 536,
igr2= 508, 509, 510,
&end
#
# 38 ASP HA 37 ILE QG2 4.50 (# 2303:20 Unique
3.72, 4.86 A)
&rst
ixpk= 2303, nxpk= 20, iat= 523, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr2= 508, 509, 510,
&end
#
# 85 PHE HB- 81 ILE QG2 5.50 (# 2304:20 Unique
2.69, 4.24 A)
&rst
ixpk= 2304, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1231,1232,
igr2=1172,1173,1174,
&end
#
# 110 PHE HN 75 ILE QG2 5.50 (# 2305:20 Unique
3.35, 4.57 A)
&rst
ixpk= 2305, nxpk= 20, iat=1636, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=1084,1085,1086,
&end
#
# 75 ILE HN 75 ILE QG2 5.50 (# 2306:20 Unique
4.24, 4.44 A)
&rst
ixpk= 2306, nxpk= 20, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=1084,1085,1086,
&end
#
# 0 AMB 20-2:2307 75 ILE QG2 5.50 (# 2307:20 Single
Ambig)
&rst
ixpk= 2307, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=2206,2207,2267,2268,
igr2=1084,1085,1086,
&end
#
# 150 GLN HE2+ 75 ILE QG2 5.50 (# 2308:20 Unique
2.65, 4.75 A)
&rst
ixpk= 2308, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=2267,2268,
igr2=1084,1085,1086,
&end
#
# 145 ASN HD2+ 75 ILE QG2 5.50 (# 2309:20 Unique
2.06, 4.59 A)
&rst
ixpk= 2309, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=2206,2207,
igr2=1084,1085,1086,
&end
#
# 10 ASN HB+ 13 MET ME 5.50 (# 2323:20 Unique
3.82, 5.37 A)
&rst
ixpk= 2323, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 139, 140,
igr2= 188, 189, 190,
&end
#
# 0 AMB 20-2:2324 13 MET ME 5.50 (# 2324:20 Single
Ambig)
&rst
ixpk= 2324, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 215,1788,
igr2= 188, 189, 190,
&end
#
# 13 MET HA 13 MET ME 5.50 (# 2325:20 Unique
4.91, 5.55 A)
&rst
ixpk= 2325, nxpk= 20, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2= 188, 189, 190,
&end
#
# 119 GLY HN 13 MET ME 5.50 (# 2326:20 Unique
4.08, 5.13 A)
&rst
ixpk= 2326, nxpk= 20, iat=1779, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2= 188, 189, 190,
&end
#
# 120 PHE HD 13 MET ME 5.50 (# 2327:20 Unique
4.40, 6.59 A)
&rst
ixpk= 2327, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1794,1802,
igr2= 188, 189, 190,
&end
#
# 10 ASN HD2- 13 MET ME 5.50 (# 2329:20 Unique
3.31, 5.31 A)
&rst
ixpk= 2329, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 144, 145,
igr2= 188, 189, 190,
&end
#
# 16 ASP HB- 13 MET ME 5.50 (# 2330:20 Unique
2.39, 4.61 A)
&rst
ixpk= 2330, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 217, 218,
igr2= 188, 189, 190,
&end
#
# 0 AMB 20-2:2332 23 ALA MB 5.50 (# 2332:20 Single
Ambig)
&rst
ixpk= 2332, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 101, 521,
igr2= 305, 306, 307,
&end
#
# 0 AMB 20-2:2333 23 ALA MB 5.50 (# 2333:20 Single
Ambig)
&rst
ixpk= 2333, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 265, 504,
igr2= 305, 306, 307,
&end
#
# 26 CYS HB+ 23 ALA MB 4.50 (# 2334:20 Unique
4.21, 5.91 A)
&rst
ixpk= 2334, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1= 352, 353,
igr2= 305, 306, 307,
&end
#
# 0 AMB 20-2:2335 47 ILE QG2 4.50 (# 2335:20 Single
Ambig)
&rst
ixpk= 2335, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4=
6.99,
igr1=1492,1475, 658,
igr2= 629, 630, 631,
&end
#
# 51 ARG HN 47 ILE QG2 5.50 (# 2336:20 Unique
4.48, 5.15 A)
&rst
ixpk= 2336, nxpk= 20, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2= 629, 630, 631,
&end
#
# 97 LEU HA 47 ILE QG2 5.50 (# 2337:20 Unique
4.60, 5.99 A)
&rst
ixpk= 2337, nxpk= 20, iat=1427, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2= 629, 630, 631,
&end
#
# 37 ILE HN 37 ILE QG2 5.50 (# 2338:20 Unique
4.18, 4.65 A)
&rst
ixpk= 2338, nxpk= 20, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2= 508, 509, 510,
&end
#
# 39 GLY HN 37 ILE QG2 5.50 (# 2339:20 Unique
3.51, 4.79 A)
&rst
ixpk= 2339, nxpk= 20, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2= 508, 509, 510,
&end
#
# 0 AMB 20-2:2340 37 ILE QG2 4.50 (# 2340:20 Single
Ambig)
&rst
ixpk= 2340, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1= 668, 611,
igr2= 508, 509, 510,
&end
#
# 38 ASP HB- 37 ILE QG2 5.50 (# 2341:20 Unique
5.02, 5.98 A)
&rst
ixpk= 2341, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 525, 526,
igr2= 508, 509, 510,
&end
#
# 113 ILE HN 113 ILE QG2 5.50 (# 2342:20 Unique
4.28, 4.65 A)
&rst
ixpk= 2342, nxpk= 20, iat=1682, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=1688,1689,1690,
&end
#
# 63 ALA HA 113 ILE QG2 5.50 (# 2343:20 Unique
3.81, 4.54 A)
&rst
ixpk= 2343, nxpk= 20, iat= 908, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=1688,1689,1690,
&end
#
# 0 AMB 20-2:2344 73 ILE QG2 5.50 (# 2344:20 Single
Ambig)
&rst
ixpk= 2344, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.64, r4=
9.14,
igr1=1981,1982,1983,1058,1059,
igr2=1041,1042,1043,
&end
#
# 15 ASP HN 117 ILE QD1 5.50 (# 2345:20 Unique
2.10, 3.91 A)
&rst
ixpk= 2345, nxpk= 20, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=1757,1758,1759,
&end
#
# 71 GLY HN 113 ILE QG2 5.50 (# 2346:20 Unique
3.37, 4.00 A)
&rst
ixpk= 2346, nxpk= 20, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=1688,1689,1690,
&end
#
# 73 ILE QG2 113 ILE QG2 5.50 (# 2347:20 Unique
4.73, 6.48 A)
&rst
ixpk= 2347, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4=
8.43,
igr1=1041,1042,1043,
igr2=1688,1689,1690,
&end
#
# 0 AMB 20-2:2348 18 ALA MB 5.50 (# 2348:20 Single
Ambig)
&rst
ixpk= 2348, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1987, 112,
igr2= 236, 237, 238,
&end
#
# 18 ALA HN 63 ALA MB 4.50 (# 2349:20 Unique
3.56, 4.48 A)
&rst
ixpk= 2349, nxpk= 20, iat= 232, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr2= 910, 911, 912,
&end
#
# 150 GLN HA 149 ALA MB 5.50 (# 2351:20 Unique
4.78, 5.34 A)
&rst
ixpk= 2351, nxpk= 20, iat=2257, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=2249,2250,2251,
&end
#
# 74 ARG HA 149 ALA MB 5.50 (# 2352:20 Unique
3.73, 4.78 A)
&rst
ixpk= 2352, nxpk= 20, iat=1056, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=2249,2250,2251,
&end
#
# 148 PHE HB+ 149 ALA MB 5.50 (# 2354:20 Unique
4.52, 5.95 A)
&rst
ixpk= 2354, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=2229,2230,
igr2=2249,2250,2251,
&end
#
# 0 AMB 20-2:2355 131 ALA MB 5.50 (# 2355:20 Single
Ambig)
&rst
ixpk= 2355, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=1969,1970,1969,1970,
igr2=1981,1982,1983,
&end
#
# 132 VAL HA 131 ALA MB 5.50 (# 2356:20 Unique
4.31, 4.85 A)
&rst
ixpk= 2356, nxpk= 20, iat=1989, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=1981,1982,1983,
&end
#
# 43 PRO HD- 42 ALA MB 4.50 (# 2357:20 Unique
4.33, 4.88 A)
&rst
ixpk= 2357, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1= 569, 570,
igr2= 562, 563, 564,
&end
#
# 84 MET HB+ 64 THR MG2 3.50 (# 2358:20 Unique
2.71, 4.14 A)
&rst
ixpk= 2358, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1=1214,1215,
igr2= 922, 923, 924,
&end
#
# 0 AMB 20-2:2359 64 THR MG2 3.50 (# 2359:20 Single
Ambig)
&rst
ixpk= 2359, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1= 949, 950,1268,1269,
igr2= 922, 923, 924,
&end
#
# 0 AMB 20-2:2360 61 VAL MGX 5.50 (# 2360:20 Single
Ambig)
&rst
ixpk= 2360, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4=
9.84,
igr1= 286, 287, 898, 899,
igr2= 884, 885, 886, 888, 889, 890,
&end
#
# 0 AMB 20-2:2361 61 VAL MGX 5.50 (# 2361:20 Single
Ambig)
&rst
ixpk= 2361, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4=
9.84,
igr1= 898, 899, 105, 106,
igr2= 884, 885, 886, 888, 889, 890,
&end
#
# 19 GLY HA+ 61 VAL MGX 5.50 (# 2362:20 Unique
2.84, 5.24 A)
&rst
ixpk= 2362, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 244, 245,
igr2= 884, 885, 886, 888, 889, 890,
&end
#
# 7 CYS HA 61 VAL MGX 5.50 (# 2363:20 Unique
4.15, 5.31 A)
&rst
ixpk= 2363, nxpk= 20, iat= 103, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 884, 885, 886, 888, 889, 890,
&end
#
# 8 VAL HN 61 VAL MGX 5.50 (# 2364:20 Unique
4.53, 5.83 A)
&rst
ixpk= 2364, nxpk= 20, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 884, 885, 886, 888, 889, 890,
&end
#
# 111 LEU HN 61 VAL MGY 5.50 (# 2365:20 Unique
3.38, 4.99 A)
&rst
ixpk= 2365, nxpk= 20, iat=1656, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 884, 885, 886, 888, 889, 890,
&end
#
# 4 VAL HA 4 VAL MGX 3.50 (# 2366:20 Unique
2.38, 3.19 A)
&rst
ixpk= 2366, nxpk= 20, iat= 49, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr2= 53, 54, 55, 57, 58, 59,
&end
#
# 41 SER HB+ 42 ALA MB 5.50 (# 2367:20 Unique
4.00, 6.08 A)
&rst
ixpk= 2367, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 551, 552,
igr2= 562, 563, 564,
&end
#
# 43 PRO HA 42 ALA MB 5.50 (# 2368:20 Unique
4.83, 5.48 A)
&rst
ixpk= 2368, nxpk= 20, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2= 562, 563, 564,
&end
#
# 98 ILE HA 108 VAL MGY 5.50 (# 2369:20 Unique
3.14, 5.12 A)
&rst
ixpk= 2369, nxpk= 20, iat=1446, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2=1607,1608,1609,1611,1612,1613,
&end
#
# 22 LEU MDY 139 LEU MDY 5.50 (# 2370:20 Unique
2.88, 5.65 A)
&rst
ixpk= 2370, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99,
r4=10.49,
igr1= 291, 292, 293, 295, 296, 297,
igr2=2119,2120,2121,2123,2124,2125,
&end
#
# 22 LEU HG 139 LEU MDY 5.50 (# 2371:20 Unique
5.30, 6.93 A)
&rst
ixpk= 2371, nxpk= 20, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2=2119,2120,2121,2123,2124,2125,
&end
#
# 136 TYR HA 139 LEU MDY 4.50 (# 2372:20 Unique
2.18, 4.40 A)
&rst
ixpk= 2372, nxpk= 20, iat=2050, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr2=2119,2120,2121,2123,2124,2125,
&end
#
# 0 AMB 20-2:2374 139 LEU MDY 5.50 (# 2374:20 Single
Ambig)
&rst
ixpk= 2374, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 459,2159,
igr2=2119,2120,2121,2123,2124,2125,
&end
#
# 0 AMB 20-2:2375 139 LEU MDY 5.50 (# 2375:20 Single
Ambig)
&rst
ixpk= 2375, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4=
9.40,
igr1=2170,2168, 465,
igr2=2119,2120,2121,2123,2124,2125,
&end
#
# 43 PRO HD+ 8 VAL MGX 5.50 (# 2377:20 Unique
2.31, 4.88 A)
&rst
ixpk= 2377, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 569, 570,
igr2= 118, 119, 120, 122, 123, 124,
&end
#
# 0 AMB 20-2:2379 135 VAL MGX 5.50 (# 2379:20 Single
Ambig)
&rst
ixpk= 2379, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4=
9.40,
igr1=2233,2241,2110,
igr2=2038,2039,2040,2042,2043,2044,
&end
#
# 0 AMB 20-2:2380 0 AMB 20-1:2380 4.50 (# 2380:20 Double
Ambig)
&rst
ixpk= 2380, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4=
8.14,
igr1= 232,2099,
igr2=1993,1994,1995,1997,1998,1999,2038,2039,2040,2042,
2043,2044,
&end
#
# 133 GLU HN 0 AMB 20-1:2381 5.50 (# 2381:20 Single
Ambig)
&rst
ixpk= 2381, nxpk= 20, iat=2003, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr2=1993,1994,1995,1997,1998,1999,2038,2039,2040,2042,
2043,2044,
&end
#
# 0 AMB 20-2:2382 101 LEU MDY 4.50 (# 2382:20 Single
Ambig)
&rst
ixpk= 2382, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1=1511, 711,
igr2=1501,1502,1503,1505,1506,1507,
&end
#
# 51 ARG HN 101 LEU MDY 5.50 (# 2383:20 Unique
2.79, 5.03 A)
&rst
ixpk= 2383, nxpk= 20, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2=1501,1502,1503,1505,1506,1507,
&end
#
# 39 GLY HA+ 6 LEU MDY 3.50 (# 2384:20 Unique
2.21, 4.69 A)
&rst
ixpk= 2384, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1= 535, 536,
igr2= 91, 92, 93, 95, 96, 97,
&end
#
# 7 CYS HA 6 LEU MDY 5.50 (# 2385:20 Unique
4.80, 6.26 A)
&rst
ixpk= 2385, nxpk= 20, iat= 103, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 91, 92, 93, 95, 96, 97,
&end
#
# 139 LEU MDY 59 LEU MDY 5.50 (# 2386:20 Unique
2.56, 5.55 A)
&rst
ixpk= 2386, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99,
r4=10.49,
igr1=2119,2120,2121,2123,2124,2125,
igr2= 849, 850, 851, 853, 854, 855,
&end
#
# 106 GLY HA+ 56 THR MG2 4.50 (# 2387:20 Unique
3.49, 5.56 A)
&rst
ixpk= 2387, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1581,1582,
igr2= 789, 790, 791,
&end
#
# 106 GLY HN 56 THR MG2 5.50 (# 2388:20 Unique
4.09, 5.13 A)
&rst
ixpk= 2388, nxpk= 20, iat=1579, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2= 789, 790, 791,
&end
#
# 57 ARG HN 56 THR MG2 5.50 (# 2389:20 Unique
3.21, 4.24 A)
&rst
ixpk= 2389, nxpk= 20, iat= 797, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2= 789, 790, 791,
&end
#
# 127 PRO HD+ 125 THR MG2 5.50 (# 2390:20 Unique
2.70, 5.04 A)
&rst
ixpk= 2390, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1911,1912,
igr2=1885,1886,1887,
&end
#
# 46 ASP HB- 6 LEU MDY 3.50 (# 2392:20 Unique
2.66, 4.50 A)
&rst
ixpk= 2392, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1= 615, 616,
igr2= 91, 92, 93, 95, 96, 97,
&end
#
# 0 AMB 20-2:2393 0 AMB 20-1:2393 5.50 (# 2393:20 Double
Ambig)
&rst
ixpk= 2393, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=2117,2133,2134,
igr2= 410, 411, 410, 411,
&end
#
# 31 LYS HE+ 31 LYS HG+ 5.50 (# 2394:20 Unique
2.32, 3.08 A)
&rst
ixpk= 2394, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 416, 417,
igr2= 410, 411,
&end
#
# 31 LYS HE- 31 LYS HG+ 5.50 (# 2395:20 Unique
2.32, 3.08 A)
&rst
ixpk= 2395, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 416, 417,
igr2= 410, 411,
&end
#
# 0 AMB 20-2:2397 59 LEU MDY 5.50 (# 2397:20 Single
Ambig)
&rst
ixpk= 2397, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=1636,1617,
igr2= 849, 850, 851, 853, 854, 855,
&end
#
# 5 LEU HN 5 LEU MDY 5.50 (# 2398:20 Unique
4.25, 5.37 A)
&rst
ixpk= 2398, nxpk= 20, iat= 63, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 72, 73, 74, 76, 77, 78,
&end
#
# 59 LEU HN 5 LEU MDY 5.50 (# 2399:20 Unique
3.97, 6.30 A)
&rst
ixpk= 2399, nxpk= 20, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 72, 73, 74, 76, 77, 78,
&end
#
# 61 VAL HN 5 LEU MDY 5.50 (# 2400:20 Unique
4.03, 5.97 A)
&rst
ixpk= 2400, nxpk= 20, iat= 878, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 72, 73, 74, 76, 77, 78,
&end
#
# 7 CYS HA 5 LEU MDY 5.50 (# 2401:20 Unique
3.45, 5.28 A)
&rst
ixpk= 2401, nxpk= 20, iat= 103, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 72, 73, 74, 76, 77, 78,
&end
#
# 152 ALA HA 151 LEU MDY 4.50 (# 2402:20 Unique
2.47, 5.16 A)
&rst
ixpk= 2402, nxpk= 20, iat=2293, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr2=2281,2282,2283,2285,2286,2287,
&end
#
# 0 AMB 20-2:2403 151 LEU MDY 5.50 (# 2403:20 Single
Ambig)
&rst
ixpk= 2403, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=2272,1054,
igr2=2281,2282,2283,2285,2286,2287,
&end
#
# 0 AMB 20-2:2404 56 THR MG2 5.50 (# 2404:20 Single
Ambig)
&rst
ixpk= 2404, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 799, 37,
igr2= 789, 790, 791,
&end
#
# 0 AMB 20-2:2405 125 THR MG2 5.50 (# 2405:20 Single
Ambig)
&rst
ixpk= 2405, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=1869,1870,1831,1832,
igr2=1885,1886,1887,
&end
#
# 0 AMB 20-2:2406 102 LYS HG- 3.50 (# 2406:20 Single
Ambig)
&rst
ixpk= 2406, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1607,1608,1609,1611,1612,1613,1607,1608,1609,1611,
1612,1613,1450,1451,1452,
igr2=1518,1519,
&end
#
# 0 AMB 20-2:2407 0 AMB 20-1:2407 3.50 (# 2407:20 Double
Ambig)
&rst
ixpk= 2407, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1=1605,1537,1538,
igr2=1518,1519,1518,1519,
&end
#
# 102 LYS HA 102 LYS HG+ 5.50 (# 2408:20 Unique
2.30, 3.35 A)
&rst
ixpk= 2408, nxpk= 20, iat=1513, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1518,1519,
&end
#
# 102 LYS HA 102 LYS HG- 4.50 (# 2409:20 Unique
2.30, 3.35 A)
&rst
ixpk= 2409, nxpk= 20, iat=1513, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1518,1519,
&end
#
# 99 ASP HA 102 LYS HG+ 5.50 (# 2410:20 Unique
2.35, 3.81 A)
&rst
ixpk= 2410, nxpk= 20, iat=1465, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1518,1519,
&end
#
# 99 ASP HA 102 LYS HG- 5.50 (# 2411:20 Unique
2.35, 3.81 A)
&rst
ixpk= 2411, nxpk= 20, iat=1465, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1518,1519,
&end
#
# 0 AMB 20-2:2412 25 LYS HG- 4.50 (# 2412:20 Single
Ambig)
&rst
ixpk= 2412, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1= 339, 340, 339, 340,
igr2= 333, 334,
&end
#
# 0 AMB 20-2:2413 25 LYS HG- 5.50 (# 2413:20 Single
Ambig)
&rst
ixpk= 2413, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1= 315, 316, 315, 316,
igr2= 333, 334,
&end
#
# 63 ALA MB 115 PRO HG+ 4.50 (# 2414:20 Unique
2.20, 4.55 A)
&rst
ixpk= 2414, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1= 910, 911, 912,
igr2=1722,1723,
&end
#
# 115 PRO HD- 115 PRO HG+ 4.50 (# 2415:20 Unique
2.31, 2.59 A)
&rst
ixpk= 2415, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1719,1720,
igr2=1722,1723,
&end
#
# 115 PRO HD+ 115 PRO HG+ 4.50 (# 2416:20 Unique
2.31, 2.59 A)
&rst
ixpk= 2416, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1719,1720,
igr2=1722,1723,
&end
#
# 0 AMB 20-2:2417 0 AMB 20-1:2417 5.50 (# 2417:20 Double
Ambig)
&rst
ixpk= 2417, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=1728, 932,
igr2=1722,1723,1722,1723,
&end
#
# 0 AMB 20-2:2418 139 LEU HG 5.50 (# 2418:20 Single
Ambig)
&rst
ixpk= 2418, nxpk= 20, iat= -1,2117, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 291, 292, 293, 295, 296, 297, 492, 493, 494, 496,
497, 498,
&end
#
# 139 LEU HB- 139 LEU HG 4.50 (# 2419:20 Unique
2.19, 2.41 A)
&rst
ixpk= 2419, nxpk= 20, iat= -1,2117, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=2114,2115,
&end
#
# 139 LEU HA 139 LEU HG 5.50 (# 2420:20 Unique
3.63, 3.77 A)
&rst
ixpk= 2420, nxpk= 20, iat=2112,2117, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 133 GLU HA 133 GLU HB+ 4.50 (# 2421:20 Unique
2.45, 2.77 A)
&rst
ixpk= 2421, nxpk= 20, iat=2005, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=2007,2008,
&end
#
# 130 ASP HA 133 GLU HB+ 4.50 (# 2422:20 Unique
2.32, 3.10 A)
&rst
ixpk= 2422, nxpk= 20, iat=1967, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=2007,2008,
&end
#
# 32 GLY HN 31 LYS HD- 5.50 (# 2423:20 Unique
3.01, 4.36 A)
&rst
ixpk= 2423, nxpk= 20, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 413, 414,
&end
#
# 126 GLN HA 129 LYS HD+ 5.50 (# 2424:20 Unique
2.72, 3.27 A)
&rst
ixpk= 2424, nxpk= 20, iat=1895, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1953,1954,
&end
#
# 127 PRO HD- 127 PRO HB- 5.50 (# 2425:20 Unique
2.80, 3.68 A)
&rst
ixpk= 2425, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1911,1912,
igr2=1917,1918,
&end
#
# 127 PRO HD+ 127 PRO HB- 4.50 (# 2427:20 Unique
2.80, 3.68 A)
&rst
ixpk= 2427, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1911,1912,
igr2=1917,1918,
&end
#
# 22 LEU HA 25 LYS HD- 4.50 (# 2428:20 Unique
2.30, 3.43 A)
&rst
ixpk= 2428, nxpk= 20, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 336, 337,
&end
#
# 129 LYS HE+ 129 LYS HD- 4.50 (# 2429:20 Unique
2.43, 2.77 A)
&rst
ixpk= 2429, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1956,1957,
igr2=1953,1954,
&end
#
# 44 GLU HA 47 ILE HG1+ 5.50 (# 2430:20 Unique
2.23, 3.03 A)
&rst
ixpk= 2430, nxpk= 20, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 633, 634,
&end
#
# 47 ILE HN 47 ILE HG1+ 5.50 (# 2431:20 Unique
2.23, 3.00 A)
&rst
ixpk= 2431, nxpk= 20, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 633, 634,
&end
#
# 142 TRP HN 0 AMB 20-1:2432 4.50 (# 2432:20 Single
Ambig)
&rst
ixpk= 2432, nxpk= 20, iat=2151, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr2=2090,2091,2090,2091,
&end
#
# 138 ARG HE 0 AMB 20-1:2433 5.50 (# 2433:20 Single
Ambig)
&rst
ixpk= 2433, nxpk= 20, iat=2099, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr2=2090,2091,2090,2091,
&end
#
# 71 GLY HN 0 AMB 20-1:2435 5.50 (# 2435:20 Single
Ambig)
&rst
ixpk= 2435, nxpk= 20, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr2=1705,1706,1705,1706,
&end
#
# 7 CYS HN 7 CYS HB- 5.50 (# 2436:20 Unique
2.17, 3.01 A)
&rst
ixpk= 2436, nxpk= 20, iat= 101, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 105, 106,
&end
#
# 8 VAL HN 7 CYS HB- 5.50 (# 2437:20 Unique
3.12, 3.67 A)
&rst
ixpk= 2437, nxpk= 20, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 105, 106,
&end
#
# 35 VAL HN 34 TRP HB- 5.50 (# 2438:20 Unique
2.88, 3.85 A)
&rst
ixpk= 2438, nxpk= 20, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 450, 451,
&end
#
# 34 TRP HD1 34 TRP HB- 5.50 (# 2439:20 Unique
2.39, 3.11 A)
&rst
ixpk= 2439, nxpk= 20, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 450, 451,
&end
#
# 5 LEU HB+ 34 TRP HB+ 5.50 (# 2440:20 Unique
2.31, 3.41 A)
&rst
ixpk= 2440, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 67, 68,
igr2= 450, 451,
&end
#
# 139 LEU HA 142 TRP HB+ 4.50 (# 2441:20 Unique
1.98, 2.80 A)
&rst
ixpk= 2441, nxpk= 20, iat=2112, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=2155,2156,
&end
#
# 148 PHE HD 142 TRP HB+ 5.50 (# 2442:20 Unique
4.49, 7.54 A)
&rst
ixpk= 2442, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2233,2241,
igr2=2155,2156,
&end
#
# 148 PHE HD 142 TRP HB- 5.50 (# 2443:20 Unique
4.49, 7.54 A)
&rst
ixpk= 2443, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2233,2241,
igr2=2155,2156,
&end
#
# 139 LEU HA 142 TRP HB- 5.50 (# 2444:20 Unique
1.98, 2.80 A)
&rst
ixpk= 2444, nxpk= 20, iat=2112, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2155,2156,
&end
#
# 0 AMB 20-2:2445 0 AMB 20-1:2445 5.50 (# 2445:20 Double
Ambig)
&rst
ixpk= 2445, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=2175,2129,
igr2=2155,2156,2155,2156,
&end
#
# 34 TRP HE1 142 TRP HB+ 5.50 (# 2446:20 Unique
2.96, 4.06 A)
&rst
ixpk= 2446, nxpk= 20, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2155,2156,
&end
#
# 0 AMB 20-2:2447 142 TRP HB- 5.50 (# 2447:20 Single
Ambig)
&rst
ixpk= 2447, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2175,2129,
igr2=2155,2156,
&end
#
# 34 TRP HE1 142 TRP HB- 5.50 (# 2448:20 Unique
2.96, 4.06 A)
&rst
ixpk= 2448, nxpk= 20, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2155,2156,
&end
#
# 86 MET HB- 90 HIS HB+ 5.50 (# 2449:20 Unique
3.42, 5.82 A)
&rst
ixpk= 2449, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1251,1252,
igr2=1313,1314,
&end
#
# 86 MET HB- 90 HIS HB- 5.50 (# 2450:20 Unique
3.42, 5.82 A)
&rst
ixpk= 2450, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1251,1252,
igr2=1313,1314,
&end
#
# 90 HIS HD2 90 HIS HB- 5.50 (# 2452:20 Unique
2.55, 3.22 A)
&rst
ixpk= 2452, nxpk= 20, iat=1322, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1313,1314,
&end
#
# 91 ASN HN 90 HIS HB+ 5.50 (# 2453:20 Unique
2.62, 3.91 A)
&rst
ixpk= 2453, nxpk= 20, iat=1326, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1313,1314,
&end
#
# 89 THR HN 90 HIS HB- 5.50 (# 2454:20 Unique
4.38, 5.47 A)
&rst
ixpk= 2454, nxpk= 20, iat=1295, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1313,1314,
&end
#
# 35 VAL HN 34 TRP HB+ 5.50 (# 2455:20 Unique
2.88, 3.85 A)
&rst
ixpk= 2455, nxpk= 20, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 450, 451,
&end
#
# 34 TRP HD1 34 TRP HB+ 5.50 (# 2456:20 Unique
2.39, 3.11 A)
&rst
ixpk= 2456, nxpk= 20, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 450, 451,
&end
#
# 39 GLY HN 7 CYS HB+ 5.50 (# 2457:20 Unique
3.34, 4.21 A)
&rst
ixpk= 2457, nxpk= 20, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 105, 106,
&end
#
# 34 TRP HN 34 TRP HB+ 5.50 (# 2458:20 Unique
2.48, 3.13 A)
&rst
ixpk= 2458, nxpk= 20, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 450, 451,
&end
#
# 19 GLY HA+ 7 CYS HB+ 5.50 (# 2461:20 Unique
2.67, 3.76 A)
&rst
ixpk= 2461, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 244, 245,
igr2= 105, 106,
&end
#
# 4 VAL HA 34 TRP HB+ 5.50 (# 2462:20 Unique
3.40, 4.17 A)
&rst
ixpk= 2462, nxpk= 20, iat= 49, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 450, 451,
&end
#
# 6 LEU HA 7 CYS HB+ 5.50 (# 2463:20 Unique
4.28, 5.12 A)
&rst
ixpk= 2463, nxpk= 20, iat= 84, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 105, 106,
&end
#
# 4 VAL HA 34 TRP HB- 5.50 (# 2464:20 Unique
3.40, 4.17 A)
&rst
ixpk= 2464, nxpk= 20, iat= 49, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 450, 451,
&end
#
# 5 LEU MDX 34 TRP HB+ 5.50 (# 2465:20 Unique
3.44, 5.67 A)
&rst
ixpk= 2465, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 72, 73, 74, 76, 77, 78,
igr2= 450, 451,
&end
#
# 5 LEU MDX 34 TRP HB- 5.50 (# 2466:20 Unique
3.44, 5.67 A)
&rst
ixpk= 2466, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 72, 73, 74, 76, 77, 78,
igr2= 450, 451,
&end
#
# 5 LEU HB+ 34 TRP HB- 5.50 (# 2467:20 Unique
2.31, 3.41 A)
&rst
ixpk= 2467, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 67, 68,
igr2= 450, 451,
&end
#
# 113 ILE QG2 131 ALA HA 5.50 (# 2468:20 Unique
4.89, 5.45 A)
&rst
ixpk= 2468, nxpk= 20, iat= -1,1979, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1688,1689,1690,
&end
#
# 8 VAL HB 7 CYS HB+ 5.50 (# 2470:20 Unique
5.81, 6.18 A)
&rst
ixpk= 2470, nxpk= 20, iat= 116, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 105, 106,
&end
#
# 34 TRP HA 34 TRP HB- 4.50 (# 2471:20 Unique
2.30, 2.69 A)
&rst
ixpk= 2471, nxpk= 20, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 450, 451,
&end
#
# 0 AMB 20-2:2472 0 AMB 20-1:2472 5.50 (# 2472:20 Double
Ambig)
&rst
ixpk= 2472, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.00,
r4=12.50,
igr1= 291, 292, 293, 295, 296, 297, 91, 92, 93, 95,
96, 97, 492, 493, 494, 496, 497, 498,
igr2= 105, 106, 105, 106, 105, 106,
&end
#
# 39 GLY HN 7 CYS HB- 5.50 (# 2473:20 Unique
3.34, 4.21 A)
&rst
ixpk= 2473, nxpk= 20, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 105, 106,
&end
#
# 0 AMB 20-2:2474 7 CYS HB- 5.50 (# 2474:20 Single
Ambig)
&rst
ixpk= 2474, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 301, 282,
igr2= 105, 106,
&end
#
# 71 GLY HA- 127 PRO HB+ 5.50 (# 2475:20 Unique
2.34, 3.94 A)
&rst
ixpk= 2475, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1015,1016,
igr2=1917,1918,
&end
#
# 127 PRO HD- 127 PRO HB+ 4.50 (# 2476:20 Unique
2.80, 3.68 A)
&rst
ixpk= 2476, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1911,1912,
igr2=1917,1918,
&end
#
# 71 GLY HA+ 127 PRO HB+ 3.50 (# 2477:20 Unique
2.34, 3.94 A)
&rst
ixpk= 2477, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1015,1016,
igr2=1917,1918,
&end
#
# 70 PRO HA 0 AMB 20-1:2478 4.50 (# 2478:20 Single
Ambig)
&rst
ixpk= 2478, nxpk= 20, iat=1009, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr2=1705,1706,1705,1706,
&end
#
# 46 ASP HB+ 50 ILE HG1- 5.50 (# 2479:20 Unique
2.53, 4.33 A)
&rst
ixpk= 2479, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 615, 616,
igr2= 678, 679,
&end
#
# 136 TYR HB- 25 LYS HD+ 5.50 (# 2480:20 Unique
2.42, 3.28 A)
&rst
ixpk= 2480, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2052,2053,
igr2= 336, 337,
&end
#
# 136 TYR HB- 25 LYS HD- 5.50 (# 2481:20 Unique
2.42, 3.28 A)
&rst
ixpk= 2481, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2052,2053,
igr2= 336, 337,
&end
#
# 136 TYR HB+ 25 LYS HD- 5.50 (# 2482:20 Unique
2.42, 3.28 A)
&rst
ixpk= 2482, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2052,2053,
igr2= 336, 337,
&end
#
# 133 GLU HA 25 LYS HD+ 5.50 (# 2483:20 Unique
2.57, 2.81 A)
&rst
ixpk= 2483, nxpk= 20, iat=2005, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 336, 337,
&end
#
# 133 GLU HA 25 LYS HD- 5.50 (# 2484:20 Unique
2.57, 2.81 A)
&rst
ixpk= 2484, nxpk= 20, iat=2005, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 336, 337,
&end
#
# 128 ILE HN 127 PRO HB- 5.50 (# 2485:20 Unique
2.86, 3.72 A)
&rst
ixpk= 2485, nxpk= 20, iat=1924, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1917,1918,
&end
#
# 81 ILE QD1 110 PHE HB+ 5.50 (# 2486:20 Unique
2.22, 2.94 A)
&rst
ixpk= 2486, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1179,1180,1181,
igr2=1640,1641,
&end
#
# 0 AMB 20-2:2487 0 AMB 20-1:2487 5.50 (# 2487:20 Double
Ambig)
&rst
ixpk= 2487, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4=
9.23,
igr1= 869, 870,1107,1108,
igr2=1640,1641,1640,1641,
&end
#
# 0 AMB 20-2:2488 0 AMB 20-1:2488 5.50 (# 2488:20 Double
Ambig)
&rst
ixpk= 2488, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4=
9.84,
igr1=1457,1458,1459, 872, 873, 874,
igr2=1640,1641,1640,1641,
&end
#
# 0 AMB 20-2:2489 0 AMB 20-1:2489 5.50 (# 2489:20 Double
Ambig)
&rst
ixpk= 2489, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49,
r4=10.99,
igr1=1623,1624,1625,1084,1085,1086,1660,1661,
igr2=1640,1641,1640,1641,1640,1641,
&end
#
# 0 AMB 20-2:2490 0 AMB 20-1:2490 4.50 (# 2490:20 Double
Ambig)
&rst
ixpk= 2490, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1=1101,1107,1108,
igr2=1640,1641,1640,1641,
&end
#
# 110 PHE HA 110 PHE HB+ 4.50 (# 2491:20 Unique
2.55, 2.82 A)
&rst
ixpk= 2491, nxpk= 20, iat=1638, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1640,1641,
&end
#
# 110 PHE HD 110 PHE HB+ 4.50 (# 2492:20 Unique
2.30, 3.09 A)
&rst
ixpk= 2492, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1644,1652,
igr2=1640,1641,
&end
#
# 0 AMB 20-2:2493 0 AMB 20-1:2493 5.50 (# 2493:20 Double
Ambig)
&rst
ixpk= 2493, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=1097,1116,
igr2=1640,1641,1640,1641,
&end
#
# 111 LEU HN 110 PHE HB+ 5.50 (# 2494:20 Unique
3.68, 4.07 A)
&rst
ixpk= 2494, nxpk= 20, iat=1656, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1640,1641,
&end
#
# 110 PHE HN 110 PHE HB+ 4.50 (# 2495:20 Unique
2.63, 2.86 A)
&rst
ixpk= 2495, nxpk= 20, iat=1636, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1640,1641,
&end
#
# 0 AMB 20-2:2496 0 AMB 20-1:2496 5.50 (# 2496:20 Double
Ambig)
&rst
ixpk= 2496, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.00,
r4=12.50,
igr1= 291, 292, 293, 295, 296, 297,2038,2039,2040,2042,
2043,2044,1993,1994,1995,1997,1998,1999,
igr2=2052,2053,2052,2053,2052,2053,
&end
#
# 0 AMB 20-2:2497 0 AMB 20-1:2497 5.50 (# 2497:20 Double
Ambig)
&rst
ixpk= 2497, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4=
9.23,
igr1= 336, 337, 286, 287,
igr2=2052,2053,2052,2053,
&end
#
# 0 AMB 20-2:2498 0 AMB 20-1:2498 5.50 (# 2498:20 Double
Ambig)
&rst
ixpk= 2498, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4=
9.84,
igr1=2117,2036,2007,2008,
igr2=2052,2053,2052,2053,2052,2053,
&end
#
# 0 AMB 20-2:2499 0 AMB 20-1:2499 5.50 (# 2499:20 Double
Ambig)
&rst
ixpk= 2499, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.80,
r4=10.30,
igr1= 330, 331,2119,2120,2121,2123,2124,2125,
igr2=2052,2053,2052,2053,
&end
#
# 0 AMB 20-2:2500 0 AMB 20-1:2500 5.50 (# 2500:20 Double
Ambig)
&rst
ixpk= 2500, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1= 284,2071,
igr2=2052,2053,2052,2053,
&end
#
# 136 TYR HA 136 TYR HB+ 4.50 (# 2501:20 Unique
2.22, 2.68 A)
&rst
ixpk= 2501, nxpk= 20, iat=2050, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=2052,2053,
&end
#
# 145 ASN HD2+ 145 ASN HB+ 5.50 (# 2502:20 Unique
2.18, 3.18 A)
&rst
ixpk= 2502, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2206,2207,
igr2=2201,2202,
&end
#
# 145 ASN HD2- 145 ASN HB+ 4.50 (# 2503:20 Unique
2.18, 3.18 A)
&rst
ixpk= 2503, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=2206,2207,
igr2=2201,2202,
&end
#
# 0 AMB 20-2:2504 0 AMB 20-1:2504 4.50 (# 2504:20 Double
Ambig)
&rst
ixpk= 2504, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1=2069,2018,
igr2=2052,2053,2052,2053,
&end
#
# 0 AMB 20-2:2505 0 AMB 20-1:2505 5.50 (# 2505:20 Double
Ambig)
&rst
ixpk= 2505, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4=
9.23,
igr1=1268,1269,1199,1200,
igr2=1231,1232,1231,1232,
&end
#
# 81 ILE QG2 85 PHE HB+ 5.50 (# 2506:20 Unique
2.69, 4.24 A)
&rst
ixpk= 2506, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1172,1173,1174,
igr2=1231,1232,
&end
#
# 0 AMB 20-2:2508 0 AMB 20-1:2508 5.50 (# 2508:20 Double
Ambig)
&rst
ixpk= 2508, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70,
r4=10.20,
igr1=1427,1358,1359,1358,1359,
igr2=1408,1409,1408,1409,1408,1409,
&end
#
# 93 PRO HD- 0 AMB 20-1:2510 5.50 (# 2510:20 Single
Ambig)
&rst
ixpk= 2510, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=1358,1359,
igr2=1408,1409,1408,1409,
&end
#
# 0 AMB 20-2:2511 0 AMB 20-1:2511 5.50 (# 2511:20 Double
Ambig)
&rst
ixpk= 2511, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4=
9.23,
igr1=1364,1365,1364,1365,
igr2=1408,1409,1408,1409,
&end
#
# 96 TYR HE 0 AMB 20-1:2512 5.50 (# 2512:20 Single
Ambig)
&rst
ixpk= 2512, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=1414,1419,
igr2=1408,1409,1408,1409,
&end
#
# 0 AMB 20-2:2513 145 ASN HB- 4.50 (# 2513:20 Single
Ambig)
&rst
ixpk= 2513, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1=1084,1085,1086,1623,1624,1625,
igr2=2201,2202,
&end
#
# 75 ILE HG1+ 145 ASN HB- 3.50 (# 2514:20 Unique
2.06, 4.09 A)
&rst
ixpk= 2514, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1088,1089,
igr2=2201,2202,
&end
#
# 144 GLY HA+ 145 ASN HB- 5.50 (# 2515:20 Unique
3.89, 5.50 A)
&rst
ixpk= 2515, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2192,2193,
igr2=2201,2202,
&end
#
# 145 ASN HN 145 ASN HB- 5.50 (# 2516:20 Unique
2.18, 3.04 A)
&rst
ixpk= 2516, nxpk= 20, iat=2197, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2201,2202,
&end
#
# 145 ASN HD2- 145 ASN HB- 3.50 (# 2517:20 Unique
2.18, 3.18 A)
&rst
ixpk= 2517, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=2206,2207,
igr2=2201,2202,
&end
#
# 145 ASN HD2+ 145 ASN HB- 4.50 (# 2518:20 Unique
2.18, 3.18 A)
&rst
ixpk= 2518, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=2206,2207,
igr2=2201,2202,
&end
#
# 0 AMB 20-2:2519 136 TYR HB- 4.50 (# 2519:20 Single
Ambig)
&rst
ixpk= 2519, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4=
8.68,
igr1= 291, 292, 293, 295, 296, 297,2038,2039,2040,2042,
2043,2044,1993,1994,1995,1997,1998,1999,
igr2=2052,2053,
&end
#
# 0 AMB 20-2:2520 136 TYR HB- 4.50 (# 2520:20 Single
Ambig)
&rst
ixpk= 2520, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=2069,2018,
igr2=2052,2053,
&end
#
# 0 AMB 20-2:2521 0 AMB 20-1:2521 5.50 (# 2521:20 Double
Ambig)
&rst
ixpk= 2521, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4=
9.84,
igr1= 441, 442, 463, 465,
igr2= 436, 437, 436, 437, 436, 437,
&end
#
# 86 MET HA 91 ASN HB+ 5.50 (# 2522:20 Unique
2.09, 2.64 A)
&rst
ixpk= 2522, nxpk= 20, iat=1249, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1330,1331,
&end
#
# 91 ASN HD2+ 91 ASN HB+ 5.50 (# 2523:20 Unique
2.22, 3.12 A)
&rst
ixpk= 2523, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1335,1336,
igr2=1330,1331,
&end
#
# 91 ASN HD2- 91 ASN HB+ 4.50 (# 2524:20 Unique
2.22, 3.12 A)
&rst
ixpk= 2524, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1335,1336,
igr2=1330,1331,
&end
#
# 121 TYR HN 120 PHE HB- 5.50 (# 2525:20 Unique
2.76, 3.60 A)
&rst
ixpk= 2525, nxpk= 20, iat=1806, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1790,1791,
&end
#
# 121 TYR HD 120 PHE HB- 5.50 (# 2526:20 Unique
2.81, 5.62 A)
&rst
ixpk= 2526, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1814,1823,
igr2=1790,1791,
&end
#
# 119 GLY HA+ 120 PHE HB- 5.50 (# 2527:20 Unique
4.34, 5.51 A)
&rst
ixpk= 2527, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1781,1782,
igr2=1790,1791,
&end
#
# 0 AMB 20-2:2528 120 PHE HB- 5.50 (# 2528:20 Single
Ambig)
&rst
ixpk= 2528, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4=
8.57,
igr1= 181, 182, 188, 189, 190,
igr2=1790,1791,
&end
#
# 0 AMB 20-2:2529 72 GLU HG- 5.50 (# 2529:20 Single
Ambig)
&rst
ixpk= 2529, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4=
9.84,
igr1= 975, 976, 977, 979, 980, 981, 975, 976, 977, 979,
980, 981,
igr2=1027,1028,
&end
#
# 0 AMB 20-2:2530 128 ILE HA 4.50 (# 2530:20 Single
Ambig)
&rst
ixpk= 2530, nxpk= 20, iat= -1,1926, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1=1917,1918,1692,1693,1950,1951,1950,1951,
&end
#
# 48 VAL HN 47 ILE HA 4.50 (# 2531:20 Unique
3.60, 3.61 A)
&rst
ixpk= 2531, nxpk= 20, iat= 642, 625, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 20-2:2532 0 AMB 20-1:2532 5.50 (# 2532:20 Double
Ambig)
&rst
ixpk= 2532, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 658,1475,
igr2= 625, 670,
&end
#
# 0 AMB 20-2:2534 94 LEU MDX 5.50 (# 2534:20 Single
Ambig)
&rst
ixpk= 2534, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4=
9.84,
igr1= 589, 590, 898, 899,
igr2=1380,1381,1382,1384,1385,1386,
&end
#
# 97 LEU HA 94 LEU MDX 5.50 (# 2535:20 Unique
4.95, 7.35 A)
&rst
ixpk= 2535, nxpk= 20, iat=1427, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2=1380,1381,1382,1384,1385,1386,
&end
#
# 46 ASP HB- 6 LEU MDX 5.50 (# 2536:20 Unique
2.66, 4.50 A)
&rst
ixpk= 2536, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 615, 616,
igr2= 91, 92, 93, 95, 96, 97,
&end
#
# 0 AMB 20-2:2537 6 LEU MDX 5.50 (# 2537:20 Single
Ambig)
&rst
ixpk= 2537, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4=
9.84,
igr1= 615, 616, 105, 106,
igr2= 91, 92, 93, 95, 96, 97,
&end
#
# 101 LEU HA 101 LEU MDX 4.50 (# 2538:20 Unique
2.19, 3.88 A)
&rst
ixpk= 2538, nxpk= 20, iat=1494, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr2=1501,1502,1503,1505,1506,1507,
&end
#
# 136 TYR HB- 139 LEU MDX 4.50 (# 2539:20 Unique
4.40, 6.84 A)
&rst
ixpk= 2539, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1=2052,2053,
igr2=2119,2120,2121,2123,2124,2125,
&end
#
# 0 AMB 20-2:2540 26 CYS HB- 4.50 (# 2540:20 Single
Ambig)
&rst
ixpk= 2540, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4=
8.14,
igr1= 492, 493, 494, 496, 497, 498, 291, 292, 293, 295,
296, 297,
igr2= 352, 353,
&end
#
# 0 AMB 20-2:2541 0 AMB 20-1:2541 4.50 (# 2541:20 Double
Ambig)
&rst
ixpk= 2541, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4=
9.08,
igr1= 492, 493, 494, 496, 497, 498, 291, 292, 293, 295,
296, 297,
igr2= 352, 353, 352, 353,
&end
#
# 0 AMB 20-2:2542 26 CYS HB- 5.50 (# 2542:20 Single
Ambig)
&rst
ixpk= 2542, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4=
9.40,
igr1= 363, 364, 365, 330, 331, 407, 408, 333, 334,
igr2= 352, 353,
&end
#
# 23 ALA HA 26 CYS HB- 5.50 (# 2543:20 Unique
2.30, 3.49 A)
&rst
ixpk= 2543, nxpk= 20, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 352, 353,
&end
#
# 23 ALA HA 26 CYS HB+ 4.50 (# 2544:20 Unique
2.30, 3.49 A)
&rst
ixpk= 2544, nxpk= 20, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 352, 353,
&end
#
# 26 CYS HA 26 CYS HB+ 4.50 (# 2545:20 Unique
2.44, 2.78 A)
&rst
ixpk= 2545, nxpk= 20, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 352, 353,
&end
#
# 30 PRO HA 26 CYS HB- 5.50 (# 2546:20 Unique
2.58, 3.86 A)
&rst
ixpk= 2546, nxpk= 20, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 352, 353,
&end
#
# 36 VAL HB 26 CYS HB- 5.50 (# 2547:20 Unique
3.55, 4.52 A)
&rst
ixpk= 2547, nxpk= 20, iat= 490, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 352, 353,
&end
#
# 36 VAL HB 26 CYS HB+ 5.50 (# 2548:20 Unique
3.55, 4.52 A)
&rst
ixpk= 2548, nxpk= 20, iat= 490, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 352, 353,
&end
#
# 139 LEU MDX 26 CYS HB- 5.50 (# 2549:20 Unique
4.85, 7.41 A)
&rst
ixpk= 2549, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=2119,2120,2121,2123,2124,2125,
igr2= 352, 353,
&end
#
# 0 AMB 20-2:2550 0 AMB 20-1:2550 5.50 (# 2550:20 Double
Ambig)
&rst
ixpk= 2550, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.80,
r4=10.30,
igr1= 330, 331,2119,2120,2121,2123,2124,2125,
igr2= 352, 353, 352, 353,
&end
#
# 134 THR HA 137 GLN HB+ 5.50 (# 2551:20 Unique
2.53, 4.62 A)
&rst
ixpk= 2551, nxpk= 20, iat=2020, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2073,2074,
&end
#
# 128 ILE HN 127 PRO HB+ 5.50 (# 2552:20 Unique
2.86, 3.72 A)
&rst
ixpk= 2552, nxpk= 20, iat=1924, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1917,1918,
&end
#
# 0 AMB 20-2:2553 0 AMB 20-1:2553 5.50 (# 2553:20 Double
Ambig)
&rst
ixpk= 2553, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.17,
r4=10.67,
igr1= 326,2069,2081,2082,2018,
igr2= 336, 337, 336, 337, 336, 337, 336, 337,
&end
#
# 0 AMB 20-2:2554 25 LYS HD- 5.50 (# 2554:20 Single
Ambig)
&rst
ixpk= 2554, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 326,2081,2082,
igr2= 336, 337,
&end
#
# 98 ILE HN 98 ILE HG1+ 4.50 (# 2555:20 Unique
2.14, 3.06 A)
&rst
ixpk= 2555, nxpk= 20, iat=1444, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1454,1455,
&end
#
# 0 AMB 20-2:2556 0 AMB 20-1:2556 4.50 (# 2556:20 Double
Ambig)
&rst
ixpk= 2556, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1=2081,2082,2099,
igr2=2076,2077,2076,2077,
&end
#
# 0 AMB 20-2:2557 137 GLN HG- 4.50 (# 2557:20 Single
Ambig)
&rst
ixpk= 2557, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=2081,2082,2099,
igr2=2076,2077,
&end
#
# 134 THR HA 137 GLN HG+ 5.50 (# 2558:20 Unique
2.09, 2.90 A)
&rst
ixpk= 2558, nxpk= 20, iat=2020, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2076,2077,
&end
#
# 134 THR HA 137 GLN HG- 5.50 (# 2559:20 Unique
2.09, 2.90 A)
&rst
ixpk= 2559, nxpk= 20, iat=2020, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2076,2077,
&end
#
# 136 TYR HB+ 137 GLN HG+ 5.50 (# 2560:20 Unique
4.23, 6.13 A)
&rst
ixpk= 2560, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2052,2053,
igr2=2076,2077,
&end
#
# 136 TYR HB+ 137 GLN HG- 5.50 (# 2561:20 Unique
4.23, 6.13 A)
&rst
ixpk= 2561, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2052,2053,
igr2=2076,2077,
&end
#
# 87 MET HN 87 MET HG+ 4.50 (# 2562:20 Unique
2.07, 4.30 A)
&rst
ixpk= 2562, nxpk= 20, iat=1264, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1271,1272,
&end
#
# 88 THR MG2 87 MET HG- 4.50 (# 2564:20 Unique
4.14, 6.45 A)
&rst
ixpk= 2564, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1287,1288,1289,
igr2=1271,1272,
&end
#
# 90 HIS HB- 86 MET HB- 5.50 (# 2565:20 Unique
3.42, 5.82 A)
&rst
ixpk= 2565, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1313,1314,
igr2=1251,1252,
&end
#
# 0 AMB 20-2:2567 0 AMB 20-1:2567 4.50 (# 2567:20 Double
Ambig)
&rst
ixpk= 2567, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4=
7.64,
igr1= 153, 154,1358,1359,
igr2= 167, 168,1251,1252,
&end
#
# 121 TYR HA 12 MET HG- 5.50 (# 2568:20 Unique
4.46, 5.31 A)
&rst
ixpk= 2568, nxpk= 20, iat=1808, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 167, 168,
&end
#
# 0 AMB 20-2:2569 0 AMB 20-1:2569 2.80 (# 2569:20 Double
Ambig)
&rst
ixpk= 2569, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4=
4.46,
igr1=1266, 162,
igr2=1271,1272, 167, 168,
&end
#
# 0 AMB 20-2:2570 0 AMB 20-1:2570 5.50 (# 2570:20 Double
Ambig)
&rst
ixpk= 2570, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=1794,1802,1322,
igr2= 167, 168,1251,1252,
&end
#
# 12 MET HN 12 MET HG- 4.50 (# 2572:20 Unique
1.94, 2.33 A)
&rst
ixpk= 2572, nxpk= 20, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 167, 168,
&end
#
# 30 PRO HD- 30 PRO HB+ 4.50 (# 2573:20 Unique
2.83, 3.70 A)
&rst
ixpk= 2573, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 390, 391,
igr2= 396, 397,
&end
#
# 75 ILE HN 150 GLN HG+ 5.50 (# 2574:20 Unique
4.01, 4.90 A)
&rst
ixpk= 2574, nxpk= 20, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2262,2263,
&end
#
# 126 GLN HN 0 AMB 20-1:2575 5.50 (# 2575:20 Single
Ambig)
&rst
ixpk= 2575, nxpk= 20, iat=1893, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr2=1900,1901,1900,1901,
&end
#
# 70 PRO HD+ 70 PRO HB- 5.50 (# 2576:20 Unique
2.73, 3.69 A)
&rst
ixpk= 2576, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1000,1001,
igr2=1006,1007,
&end
#
# 57 ARG HD- 57 ARG HB+ 5.50 (# 2578:20 Unique
2.29, 3.27 A)
&rst
ixpk= 2578, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 807, 808,
igr2= 801, 802,
&end
#
# 57 ARG HD+ 57 ARG HB+ 5.50 (# 2579:20 Unique
2.29, 3.27 A)
&rst
ixpk= 2579, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 807, 808,
igr2= 801, 802,
&end
#
# 57 ARG HN 57 ARG HB+ 5.50 (# 2580:20 Unique
2.71, 3.29 A)
&rst
ixpk= 2580, nxpk= 20, iat= 797, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 801, 802,
&end
#
# 58 LEU HN 57 ARG HB+ 4.50 (# 2581:20 Unique
2.24, 3.33 A)
&rst
ixpk= 2581, nxpk= 20, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 801, 802,
&end
#
# 114 GLN HE2- 114 GLN HG+ 3.50 (# 2582:20 Unique
2.23, 3.28 A)
&rst
ixpk= 2582, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1713,1714,
igr2=1708,1709,
&end
#
# 57 ARG HE 57 ARG HB- 4.50 (# 2583:20 Unique
1.85, 2.57 A)
&rst
ixpk= 2583, nxpk= 20, iat= 810, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 801, 802,
&end
#
# 57 ARG HN 57 ARG HB- 4.50 (# 2584:20 Unique
2.71, 3.29 A)
&rst
ixpk= 2584, nxpk= 20, iat= 797, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 801, 802,
&end
#
# 58 LEU HN 57 ARG HB- 5.50 (# 2585:20 Unique
2.24, 3.33 A)
&rst
ixpk= 2585, nxpk= 20, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 801, 802,
&end
#
# 5 LEU MDY 61 VAL HB 5.50 (# 2586:20 Unique
3.43, 5.34 A)
&rst
ixpk= 2586, nxpk= 20, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 72, 73, 74, 76, 77, 78,
&end
#
# 124 MET HA 124 MET HB- 4.50 (# 2587:20 Unique
2.46, 2.77 A)
&rst
ixpk= 2587, nxpk= 20, iat=1864, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1866,1867,
&end
#
# 7 CYS HA 61 VAL HB 4.50 (# 2588:20 Unique
2.96, 3.14 A)
&rst
ixpk= 2588, nxpk= 20, iat= 103, 882, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 20-2:2590 115 PRO HB- 5.50 (# 2590:20 Single
Ambig)
&rst
ixpk= 2590, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1= 217, 218,1869,1870,
igr2=1725,1726,
&end
#
# 115 PRO HD- 115 PRO HB- 5.50 (# 2591:20 Unique
2.69, 3.67 A)
&rst
ixpk= 2591, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1719,1720,
igr2=1725,1726,
&end
#
# 115 PRO HD+ 115 PRO HB- 5.50 (# 2592:20 Unique
2.69, 3.67 A)
&rst
ixpk= 2592, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1719,1720,
igr2=1725,1726,
&end
#
# 115 PRO HA 115 PRO HB- 4.50 (# 2593:20 Unique
2.31, 2.53 A)
&rst
ixpk= 2593, nxpk= 20, iat=1728, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1725,1726,
&end
#
# 8 VAL HA 8 VAL HB 4.50 (# 2594:20 Unique
3.03, 3.05 A)
&rst
ixpk= 2594, nxpk= 20, iat= 114, 116, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 4 VAL HA 4 VAL HB 4.50 (# 2595:20 Unique
2.55, 3.00 A)
&rst
ixpk= 2595, nxpk= 20, iat= 49, 51, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 58 LEU HA 4 VAL HB 5.50 (# 2596:20 Unique
2.59, 2.99 A)
&rst
ixpk= 2596, nxpk= 20, iat= 823, 51, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 20-2:2597 0 AMB 20-1:2597 5.50 (# 2597:20 Double
Ambig)
&rst
ixpk= 2597, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4=
8.57,
igr1= 542, 543, 770, 771, 448,
igr2= 116, 51,
&end
#
# 62 ASP HB- 8 VAL HB 4.50 (# 2598:20 Unique
2.06, 2.92 A)
&rst
ixpk= 2598, nxpk= 20, iat= -1, 116, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 898, 899,
&end
#
# 62 ASP HB+ 8 VAL HB 4.50 (# 2599:20 Unique
2.06, 2.92 A)
&rst
ixpk= 2599, nxpk= 20, iat= -1, 116, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 898, 899,
&end
#
# 0 AMB 20-2:2600 25 LYS HB- 5.50 (# 2600:20 Single
Ambig)
&rst
ixpk= 2600, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4=
9.23,
igr1= 339, 340, 339, 340, 416, 417,2010,2011,
igr2= 330, 331,
&end
#
# 26 CYS HN 25 LYS HB- 4.50 (# 2601:20 Unique
2.49, 3.09 A)
&rst
ixpk= 2601, nxpk= 20, iat= 348, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 330, 331,
&end
#
# 25 LYS HN 25 LYS HB- 4.50 (# 2602:20 Unique
2.48, 3.08 A)
&rst
ixpk= 2602, nxpk= 20, iat= 326, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 330, 331,
&end
#
# 0 AMB 20-2:2603 102 LYS HB- 5.50 (# 2603:20 Single
Ambig)
&rst
ixpk= 2603, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=1524,1525,1524,1525,
igr2=1515,1516,
&end
#
# 10 ASN HB+ 13 MET HB- 4.50 (# 2604:20 Unique
2.33, 3.42 A)
&rst
ixpk= 2604, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 139, 140,
igr2= 181, 182,
&end
#
# 129 LYS HN 129 LYS HB- 4.50 (# 2605:20 Unique
2.08, 3.02 A)
&rst
ixpk= 2605, nxpk= 20, iat=1943, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1947,1948,
&end
#
# 130 ASP HN 129 LYS HB- 5.50 (# 2606:20 Unique
2.36, 2.90 A)
&rst
ixpk= 2606, nxpk= 20, iat=1965, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1947,1948,
&end
#
# 144 GLY HN 143 GLU HB- 5.50 (# 2607:20 Unique
3.03, 4.22 A)
&rst
ixpk= 2607, nxpk= 20, iat=2190, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2179,2180,
&end
#
# 57 ARG HD- 57 ARG HB- 4.50 (# 2608:20 Unique
2.29, 3.27 A)
&rst
ixpk= 2608, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 807, 808,
igr2= 801, 802,
&end
#
# 57 ARG HD+ 57 ARG HB- 5.50 (# 2609:20 Unique
2.29, 3.27 A)
&rst
ixpk= 2609, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 807, 808,
igr2= 801, 802,
&end
#
# 100 GLN HE2- 100 GLN HG+ 4.50 (# 2610:20 Unique
2.03, 3.45 A)
&rst
ixpk= 2610, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1487,1488,
igr2=1482,1483,
&end
#
# 100 GLN HE2+ 100 GLN HG- 5.50 (# 2611:20 Unique
2.03, 3.45 A)
&rst
ixpk= 2611, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1487,1488,
igr2=1482,1483,
&end
#
# 100 GLN HE2+ 100 GLN HG+ 5.50 (# 2612:20 Unique
2.03, 3.45 A)
&rst
ixpk= 2612, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1487,1488,
igr2=1482,1483,
&end
#
# 13 MET HA 13 MET HB+ 4.50 (# 2613:20 Unique
2.48, 2.79 A)
&rst
ixpk= 2613, nxpk= 20, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 181, 182,
&end
#
# 56 THR HN 55 PRO HB- 5.50 (# 2615:20 Unique
2.96, 3.40 A)
&rst
ixpk= 2615, nxpk= 20, iat= 783, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 776, 777,
&end
#
# 121 TYR HN 13 MET HB- 5.50 (# 2616:20 Unique
4.74, 5.44 A)
&rst
ixpk= 2616, nxpk= 20, iat=1806, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 181, 182,
&end
#
# 0 AMB 20-2:2617 0 AMB 20-1:2617 5.50 (# 2617:20 Double
Ambig)
&rst
ixpk= 2617, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4=
9.23,
igr1= 160, 225,1987,1786,
igr2= 181, 182,1947,1948,
&end
#
# 0 AMB 20-2:2618 0 AMB 20-1:2618 5.50 (# 2618:20 Double
Ambig)
&rst
ixpk= 2618, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=2081,2082,2018,
igr2=2010,2011,2010,2011,
&end
#
# 0 AMB 20-2:2619 133 GLU HG- 5.50 (# 2619:20 Single
Ambig)
&rst
ixpk= 2619, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=2081,2082,2018,
igr2=2010,2011,
&end
#
# 133 GLU HN 133 GLU HG+ 5.50 (# 2620:20 Unique
4.13, 4.24 A)
&rst
ixpk= 2620, nxpk= 20, iat=2003, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2010,2011,
&end
#
# 133 GLU HN 133 GLU HG- 5.50 (# 2621:20 Unique
4.13, 4.24 A)
&rst
ixpk= 2621, nxpk= 20, iat=2003, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2010,2011,
&end
#
# 133 GLU HA 133 GLU HG+ 5.50 (# 2622:20 Unique
2.23, 2.96 A)
&rst
ixpk= 2622, nxpk= 20, iat=2005, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2010,2011,
&end
#
# 130 ASP HA 133 GLU HG- 5.50 (# 2623:20 Unique
3.55, 4.72 A)
&rst
ixpk= 2623, nxpk= 20, iat=1967, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2010,2011,
&end
#
# 0 AMB 20-2:2624 0 AMB 20-1:2624 4.50 (# 2624:20 Double
Ambig)
&rst
ixpk= 2624, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1=1099,2247,
igr2=2262,2263,2262,2263,
&end
#
# 137 GLN HG- 133 GLU HG- 4.50 (# 2625:20 Unique
3.01, 5.71 A)
&rst
ixpk= 2625, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=2076,2077,
igr2=2010,2011,
&end
#
# 121 TYR HN 121 TYR HB- 5.50 (# 2626:20 Unique
3.08, 3.70 A)
&rst
ixpk= 2626, nxpk= 20, iat=1806, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1810,1811,
&end
#
# 25 LYS HB+ 24 GLU HG- 4.50 (# 2627:20 Unique
5.18, 5.98 A)
&rst
ixpk= 2627, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 330, 331,
igr2= 318, 319,
&end
#
# 124 MET HG+ 128 ILE HG1- 5.50 (# 2628:20 Unique
4.03, 5.06 A)
&rst
ixpk= 2628, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1869,1870,
igr2=1934,1935,
&end
#
# 0 AMB 20-2:2629 128 ILE HG1- 5.50 (# 2629:20 Single
Ambig)
&rst
ixpk= 2629, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1928,1705,1706,
igr2=1934,1935,
&end
#
# 128 ILE HA 128 ILE HG1- 5.50 (# 2630:20 Unique
2.37, 3.06 A)
&rst
ixpk= 2630, nxpk= 20, iat=1926, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1934,1935,
&end
#
# 115 PRO HA 128 ILE HG1- 5.50 (# 2631:20 Unique
2.06, 2.59 A)
&rst
ixpk= 2631, nxpk= 20, iat=1728, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1934,1935,
&end
#
# 0 AMB 20-2:2632 74 ARG HB- 5.50 (# 2632:20 Single
Ambig)
&rst
ixpk= 2632, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=2257,1037,1080,
igr2=1058,1059,
&end
#
# 151 LEU HA 74 ARG HB- 5.50 (# 2633:20 Unique
2.90, 3.80 A)
&rst
ixpk= 2633, nxpk= 20, iat=2274, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1058,1059,
&end
#
# 0 AMB 20-2:2634 0 AMB 20-1:2634 5.50 (# 2634:20 Double
Ambig)
&rst
ixpk= 2634, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1= 179,1056,
igr2= 184, 185,1058,1059,
&end
#
# 0 AMB 20-2:2635 0 AMB 20-1:2635 5.50 (# 2635:20 Double
Ambig)
&rst
ixpk= 2635, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4=
9.23,
igr1=1064,1065,1781,1782,
igr2=1058,1059, 184, 185,
&end
#
# 0 AMB 20-2:2636 0 AMB 20-1:2636 5.50 (# 2636:20 Double
Ambig)
&rst
ixpk= 2636, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4=
9.23,
igr1=1064,1065, 217, 218,
igr2=1058,1059, 184, 185,
&end
#
# 0 AMB 20-2:2637 0 AMB 20-1:2637 5.50 (# 2637:20 Double
Ambig)
&rst
ixpk= 2637, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4=
9.23,
igr1=1064,1065, 217, 218,
igr2=1058,1059, 184, 185,
&end
#
# 74 ARG HG+ 74 ARG HB- 5.50 (# 2638:20 Unique
2.31, 2.60 A)
&rst
ixpk= 2638, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1061,1062,
igr2=1058,1059,
&end
#
# 124 MET HG+ 128 ILE HG1+ 5.50 (# 2639:20 Unique
4.03, 5.06 A)
&rst
ixpk= 2639, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1869,1870,
igr2=1934,1935,
&end
#
# 128 ILE HA 128 ILE HG1+ 5.50 (# 2640:20 Unique
2.37, 3.06 A)
&rst
ixpk= 2640, nxpk= 20, iat=1926, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1934,1935,
&end
#
# 115 PRO HA 128 ILE HG1+ 5.50 (# 2641:20 Unique
2.06, 2.59 A)
&rst
ixpk= 2641, nxpk= 20, iat=1728, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1934,1935,
&end
#
# 0 AMB 20-2:2642 0 AMB 20-1:2642 5.50 (# 2642:20 Double
Ambig)
&rst
ixpk= 2642, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4=
9.23,
igr1=1064,1065,1781,1782,
igr2=1058,1059, 184, 185,
&end
#
# 0 AMB 20-2:2643 0 AMB 20-1:2643 5.50 (# 2643:20 Double
Ambig)
&rst
ixpk= 2643, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1= 179,1056,
igr2= 184, 185,1058,1059,
&end
#
# 75 ILE HN 74 ARG HB+ 5.50 (# 2644:20 Unique
2.68, 3.40 A)
&rst
ixpk= 2644, nxpk= 20, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1058,1059,
&end
#
# 75 ILE HN 74 ARG HB- 5.50 (# 2645:20 Unique
2.68, 3.40 A)
&rst
ixpk= 2645, nxpk= 20, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1058,1059,
&end
#
# 0 AMB 20-2:2646 0 AMB 20-1:2646 5.50 (# 2646:20 Double
Ambig)
&rst
ixpk= 2646, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=2272,1054,
igr2=1058,1059,1058,1059,
&end
#
# 0 AMB 20-2:2647 74 ARG HB- 5.50 (# 2647:20 Single
Ambig)
&rst
ixpk= 2647, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2272,1054,
igr2=1058,1059,
&end
#
# 0 AMB 20-2:2648 0 AMB 20-1:2648 4.50 (# 2648:20 Double
Ambig)
&rst
ixpk= 2648, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1926, 328,
igr2=1928, 318, 319,
&end
#
# 0 AMB 20-2:2649 0 AMB 20-1:2649 5.50 (# 2649:20 Double
Ambig)
&rst
ixpk= 2649, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=1586,1166,
igr2=1593,1594,1202,1203,
&end
#
# 129 LYS HN 128 ILE HB 5.50 (# 2650:20 Unique
2.74, 2.90 A)
&rst
ixpk= 2650, nxpk= 20, iat=1943,1928, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 20-2:2651 0 AMB 20-1:2651 5.50 (# 2651:20 Double
Ambig)
&rst
ixpk= 2651, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=1586,1560,
igr2=1593,1594,1540,1541,
&end
#
# 53 LEU HN 52 GLU HG+ 5.50 (# 2652:20 Unique
2.66, 4.96 A)
&rst
ixpk= 2652, nxpk= 20, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 718, 719,
&end
#
# 141 GLY HN 0 AMB 20-1:2653 5.50 (# 2653:20 Single
Ambig)
&rst
ixpk= 2653, nxpk= 20, iat=2144, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr2=2136,2137,2182,2183,
&end
#
# 58 LEU HN 107 GLU HG- 5.50 (# 2654:20 Unique
4.06, 5.10 A)
&rst
ixpk= 2654, nxpk= 20, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1593,1594,
&end
#
# 32 GLY HN 140 GLU HG- 5.50 (# 2655:20 Unique
1.71, 4.22 A)
&rst
ixpk= 2655, nxpk= 20, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2136,2137,
&end
#
# 95 ASN HN 95 ASN HB- 4.50 (# 2657:20 Unique
2.24, 2.93 A)
&rst
ixpk= 2657, nxpk= 20, iat=1390, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1394,1395,
&end
#
# 122 TYR HD 122 TYR HB- 4.50 (# 2658:20 Unique
2.30, 3.11 A)
&rst
ixpk= 2658, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1835,1844,
igr2=1831,1832,
&end
#
# 0 AMB 20-2:2659 0 AMB 20-1:2659 5.50 (# 2659:20 Double
Ambig)
&rst
ixpk= 2659, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=1399,1400,1779,
igr2=1394,1395,1831,1832,
&end
#
# 0 AMB 20-2:2660 122 TYR HB- 5.50 (# 2660:20 Single
Ambig)
&rst
ixpk= 2660, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=1849,1850,1781,1782,
igr2=1831,1832,
&end
#
# 0 AMB 20-2:2661 0 AMB 20-1:2661 4.50 (# 2661:20 Double
Ambig)
&rst
ixpk= 2661, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.00, r4=
9.50,
igr1=2010,2011, 339, 340, 339, 340, 416, 417,
igr2=2052,2053,2052,2053,2052,2053,2052,2053,
&end
#
# 119 GLY HA+ 120 PHE HB+ 5.50 (# 2662:20 Unique
4.34, 5.51 A)
&rst
ixpk= 2662, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1781,1782,
igr2=1790,1791,
&end
#
# 0 AMB 20-2:2663 0 AMB 20-1:2663 5.50 (# 2663:20 Double
Ambig)
&rst
ixpk= 2663, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4=
9.23,
igr1=1335,1336,1814,1823,
igr2=1330,1331,1790,1791,
&end
#
# 91 ASN HD2- 91 ASN HB- 4.50 (# 2664:20 Unique
2.22, 3.12 A)
&rst
ixpk= 2664, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1335,1336,
igr2=1330,1331,
&end
#
# 121 TYR HN 120 PHE HB+ 5.50 (# 2665:20 Unique
2.76, 3.60 A)
&rst
ixpk= 2665, nxpk= 20, iat=1806, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1790,1791,
&end
#
# 13 MET ME 120 PHE HB+ 5.50 (# 2666:20 Unique
4.89, 7.30 A)
&rst
ixpk= 2666, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 188, 189, 190,
igr2=1790,1791,
&end
#
# 73 ILE HN 72 GLU HG- 5.50 (# 2667:20 Unique
4.71, 5.18 A)
&rst
ixpk= 2667, nxpk= 20, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1027,1028,
&end
#
# 69 ASN HN 72 GLU HG- 5.50 (# 2668:20 Unique
2.11, 2.84 A)
&rst
ixpk= 2668, nxpk= 20, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1027,1028,
&end
#
# 33 ASN HN 33 ASN HB- 5.50 (# 2669:20 Unique
2.86, 3.33 A)
&rst
ixpk= 2669, nxpk= 20, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 436, 437,
&end
#
# 0 AMB 20-2:2670 33 ASN HB- 5.50 (# 2670:20 Single
Ambig)
&rst
ixpk= 2670, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1= 441, 442, 463, 465,
igr2= 436, 437,
&end
#
# 34 TRP HN 33 ASN HB- 5.50 (# 2671:20 Unique
3.87, 4.60 A)
&rst
ixpk= 2671, nxpk= 20, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 436, 437,
&end
#
# 44 GLU HA 44 GLU HB+ 2.80 (# 2672:20 Unique
2.21, 2.41 A)
&rst
ixpk= 2672, nxpk= 20, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr2= 586, 587,
&end
#
# 68 LEU HB- 72 GLU HG- 5.50 (# 2673:20 Unique
2.25, 3.31 A)
&rst
ixpk= 2673, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 970, 971,
igr2=1027,1028,
&end
#
# 68 LEU HB+ 72 GLU HG- 4.50 (# 2674:20 Unique
2.25, 3.31 A)
&rst
ixpk= 2674, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 970, 971,
igr2=1027,1028,
&end
#
# 117 ILE QD1 122 TYR HB+ 4.50 (# 2675:20 Unique
2.21, 3.11 A)
&rst
ixpk= 2675, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1757,1758,1759,
igr2=1831,1832,
&end
#
# 98 ILE HA 98 ILE HB 4.50 (# 2676:20 Unique
3.00, 3.03 A)
&rst
ixpk= 2676, nxpk= 20, iat=1446,1448, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 20-2:2677 0 AMB 20-1:2677 5.50 (# 2677:20 Double
Ambig)
&rst
ixpk= 2677, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 613,1118,
igr2= 627, 672,1448,
&end
#
# 0 AMB 20-2:2678 0 AMB 20-1:2678 5.50 (# 2678:20 Double
Ambig)
&rst
ixpk= 2678, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4=
8.43,
igr1= 658,1475,1492,
igr2= 672, 627,1448,
&end
#
# 140 GLU HN 31 LYS HB- 5.50 (# 2679:20 Unique
2.28, 3.48 A)
&rst
ixpk= 2679, nxpk= 20, iat=2129, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 407, 408,
&end
#
# 31 LYS HN 31 LYS HB- 5.50 (# 2680:20 Unique
2.24, 3.07 A)
&rst
ixpk= 2680, nxpk= 20, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 407, 408,
&end
#
# 32 GLY HN 31 LYS HB- 5.50 (# 2681:20 Unique
1.85, 3.03 A)
&rst
ixpk= 2681, nxpk= 20, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 407, 408,
&end
#
# 31 LYS HN 31 LYS HB+ 4.50 (# 2682:20 Unique
2.24, 3.07 A)
&rst
ixpk= 2682, nxpk= 20, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 407, 408,
&end
#
# 95 ASN HD2+ 95 ASN HB+ 5.50 (# 2683:20 Unique
2.60, 3.62 A)
&rst
ixpk= 2683, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1399,1400,
igr2=1394,1395,
&end
#
# 122 TYR HD 122 TYR HB+ 4.50 (# 2684:20 Unique
2.30, 3.11 A)
&rst
ixpk= 2684, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1835,1844,
igr2=1831,1832,
&end
#
# 120 PHE HA 122 TYR HB+ 5.50 (# 2685:20 Unique
4.68, 5.58 A)
&rst
ixpk= 2685, nxpk= 20, iat=1788, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1831,1832,
&end
#
# 123 PRO HD+ 122 TYR HB+ 4.50 (# 2686:20 Unique
2.33, 3.76 A)
&rst
ixpk= 2686, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1849,1850,
igr2=1831,1832,
&end
#
# 0 AMB 20-2:2687 0 AMB 20-1:2687 3.50 (# 2687:20 Double
Ambig)
&rst
ixpk= 2687, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4=
6.06,
igr1=1849,1850,1781,1782,
igr2=1831,1832,1831,1832,
&end
#
# 0 AMB 20-2:2688 0 AMB 20-1:2688 5.50 (# 2688:20 Double
Ambig)
&rst
ixpk= 2688, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4=
9.23,
igr1= 994, 995, 994, 995,
igr2= 989, 990, 989, 990,
&end
#
# 52 GLU HN 52 GLU HG+ 3.50 (# 2689:20 Unique
2.75, 3.39 A)
&rst
ixpk= 2689, nxpk= 20, iat= 711, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2= 718, 719,
&end
#
# 49 ALA MB 52 GLU HG- 5.50 (# 2690:20 Unique
4.11, 6.07 A)
&rst
ixpk= 2690, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 662, 663, 664,
igr2= 718, 719,
&end
#
# 0 AMB 20-2:2691 0 AMB 20-1:2691 4.50 (# 2691:20 Double
Ambig)
&rst
ixpk= 2691, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4=
7.64,
igr1= 970, 971, 970, 971,
igr2= 989, 990, 989, 990,
&end
#
# 0 AMB 20-2:2692 0 AMB 20-1:2692 5.50 (# 2692:20 Double
Ambig)
&rst
ixpk= 2692, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.22,
r4=11.72,
igr1= 975, 976, 977, 979, 980, 981, 975, 976, 977, 979,
980, 981,
igr2= 989, 990, 989, 990, 989, 990,
&end
#
# 81 ILE QG2 95 ASN HB+ 4.50 (# 2693:20 Unique
2.24, 3.85 A)
&rst
ixpk= 2693, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1172,1173,1174,
igr2=1394,1395,
&end
#
# 117 ILE QD1 122 TYR HB- 4.50 (# 2694:20 Unique
2.21, 3.11 A)
&rst
ixpk= 2694, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1757,1758,1759,
igr2=1831,1832,
&end
#
# 0 AMB 20-2:2695 0 AMB 20-1:2695 5.50 (# 2695:20 Double
Ambig)
&rst
ixpk= 2695, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=2133,2134,2117,
igr2= 407, 408, 407, 408,
&end
#
# 0 AMB 20-2:2696 31 LYS HB- 4.50 (# 2696:20 Single
Ambig)
&rst
ixpk= 2696, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=2133,2134,2117,
igr2= 407, 408,
&end
#
# 139 LEU MDX 31 LYS HB+ 4.50 (# 2697:20 Unique
2.57, 5.20 A)
&rst
ixpk= 2697, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1=2119,2120,2121,2123,2124,2125,
igr2= 407, 408,
&end
#
# 139 LEU MDX 31 LYS HB- 5.50 (# 2698:20 Unique
2.57, 5.20 A)
&rst
ixpk= 2698, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=2119,2120,2121,2123,2124,2125,
igr2= 407, 408,
&end
#
# 78 PRO HA 81 ILE HB 4.50 (# 2699:20 Unique
2.09, 2.20 A)
&rst
ixpk= 2699, nxpk= 20, iat=1138,1170, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 20-2:2700 81 ILE HB 5.50 (# 2700:20 Single
Ambig)
&rst
ixpk= 2700, nxpk= 20, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1158,1159,1146,1147,
&end
#
# 150 GLN HG+ 75 ILE HB 5.50 (# 2701:20 Unique
2.12, 2.99 A)
&rst
ixpk= 2701, nxpk= 20, iat= -1,1082, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=2262,2263,
&end
#
# 110 PHE HB- 76 ILE HB 4.50 (# 2703:20 Unique
2.29, 3.40 A)
&rst
ixpk= 2703, nxpk= 20, iat= -1,1101, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1640,1641,
&end
#
# 110 PHE HB+ 76 ILE HB 4.50 (# 2704:20 Unique
2.29, 3.40 A)
&rst
ixpk= 2704, nxpk= 20, iat= -1,1101, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1640,1641,
&end
#
# 102 LYS HA 105 ILE HB 4.50 (# 2705:20 Unique
2.76, 3.14 A)
&rst
ixpk= 2705, nxpk= 20, iat=1513,1564, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 20-2:2706 0 AMB 20-1:2706 4.50 (# 2706:20 Double
Ambig)
&rst
ixpk= 2706, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1603,1080,
igr2=1564,1101,
&end
#
# 110 PHE HD 76 ILE HB 4.50 (# 2707:20 Unique
3.07, 4.66 A)
&rst
ixpk= 2707, nxpk= 20, iat= -1,1101, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1644,1652,
&end
#
# 104 ASP HN 105 ILE HB 5.50 (# 2708:20 Unique
3.85, 4.12 A)
&rst
ixpk= 2708, nxpk= 20, iat=1548,1564, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 106 GLY HN 105 ILE HB 5.50 (# 2709:20 Unique
3.87, 4.00 A)
&rst
ixpk= 2709, nxpk= 20, iat=1579,1564, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 22 LEU HA 22 LEU HB- 4.50 (# 2710:20 Unique
2.20, 2.53 A)
&rst
ixpk= 2710, nxpk= 20, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 286, 287,
&end
#
# 0 AMB 20-2:2711 22 LEU HB- 3.50 (# 2711:20 Single
Ambig)
&rst
ixpk= 2711, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 289, 330, 331,
igr2= 286, 287,
&end
#
# 0 AMB 20-2:2712 37 ILE HB 5.50 (# 2712:20 Single
Ambig)
&rst
ixpk= 2712, nxpk= 20, iat= -1, 506, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 101, 521,
&end
#
# 110 PHE HD 60 ILE HB 4.50 (# 2713:20 Unique
2.48, 3.62 A)
&rst
ixpk= 2713, nxpk= 20, iat= -1, 863, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1644,1652,
&end
#
# 36 VAL HA 37 ILE HB 5.50 (# 2714:20 Unique
4.20, 4.52 A)
&rst
ixpk= 2714, nxpk= 20, iat= 488, 506, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 37 ILE HA 37 ILE HB 4.50 (# 2715:20 Unique
3.03, 3.04 A)
&rst
ixpk= 2715, nxpk= 20, iat= 504, 506, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 110 PHE HB- 60 ILE HB 5.50 (# 2716:20 Unique
3.18, 3.91 A)
&rst
ixpk= 2716, nxpk= 20, iat= -1, 863, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1640,1641,
&end
#
# 109 ILE HA 109 ILE HB 4.50 (# 2717:20 Unique
3.02, 3.04 A)
&rst
ixpk= 2717, nxpk= 20, iat=1619,1621, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 20-2:2718 109 ILE HB 4.50 (# 2718:20 Single
Ambig)
&rst
ixpk= 2718, nxpk= 20, iat= -1,1621, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1638,1603,2199,1080,
&end
#
# 60 ILE HN 109 ILE HB 5.50 (# 2719:20 Unique
3.44, 3.65 A)
&rst
ixpk= 2719, nxpk= 20, iat= 859,1621, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 21 LEU HA 21 LEU HB+ 4.50 (# 2720:20 Unique
2.39, 2.72 A)
&rst
ixpk= 2720, nxpk= 20, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 267, 268,
&end
#
# 0 AMB 20-2:2721 0 AMB 20-1:2721 5.50 (# 2721:20 Double
Ambig)
&rst
ixpk= 2721, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70,
r4=10.20,
igr1= 234, 227, 228, 227, 228,
igr2= 267, 268, 267, 268, 267, 268,
&end
#
# 139 LEU MDY 139 LEU HB+ 4.50 (# 2722:20 Unique
2.32, 3.51 A)
&rst
ixpk= 2722, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1=2119,2120,2121,2123,2124,2125,
igr2=2114,2115,
&end
#
# 0 AMB 20-2:2723 0 AMB 20-1:2723 5.50 (# 2723:20 Double
Ambig)
&rst
ixpk= 2723, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4=
9.23,
igr1= 450, 451, 352, 353,
igr2=2114,2115,2114,2115,
&end
#
# 139 LEU HA 139 LEU HB+ 4.50 (# 2724:20 Unique
2.13, 2.79 A)
&rst
ixpk= 2724, nxpk= 20, iat=2112, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=2114,2115,
&end
#
# 34 TRP HD1 139 LEU HB+ 5.50 (# 2725:20 Unique
2.06, 3.51 A)
&rst
ixpk= 2725, nxpk= 20, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2114,2115,
&end
#
# 140 GLU HN 139 LEU HB+ 5.50 (# 2726:20 Unique
2.40, 3.02 A)
&rst
ixpk= 2726, nxpk= 20, iat=2129, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2114,2115,
&end
#
# 139 LEU MDY 139 LEU HB- 4.50 (# 2727:20 Unique
2.32, 3.51 A)
&rst
ixpk= 2727, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1=2119,2120,2121,2123,2124,2125,
igr2=2114,2115,
&end
#
# 139 LEU HG 139 LEU HB- 4.50 (# 2728:20 Unique
2.19, 2.41 A)
&rst
ixpk= 2728, nxpk= 20, iat=2117, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=2114,2115,
&end
#
# 0 AMB 20-2:2729 139 LEU HB- 5.50 (# 2729:20 Single
Ambig)
&rst
ixpk= 2729, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1= 450, 451, 352, 353,
igr2=2114,2115,
&end
#
# 139 LEU HA 139 LEU HB- 4.50 (# 2730:20 Unique
2.13, 2.79 A)
&rst
ixpk= 2730, nxpk= 20, iat=2112, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=2114,2115,
&end
#
# 139 LEU HN 139 LEU HB- 4.50 (# 2731:20 Unique
2.20, 2.99 A)
&rst
ixpk= 2731, nxpk= 20, iat=2110, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=2114,2115,
&end
#
# 34 TRP HD1 139 LEU HB- 5.50 (# 2732:20 Unique
2.06, 3.51 A)
&rst
ixpk= 2732, nxpk= 20, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2114,2115,
&end
#
# 140 GLU HN 139 LEU HB- 5.50 (# 2733:20 Unique
2.40, 3.02 A)
&rst
ixpk= 2733, nxpk= 20, iat=2129, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2114,2115,
&end
#
# 34 TRP HE1 139 LEU HB- 5.50 (# 2734:20 Unique
2.21, 3.88 A)
&rst
ixpk= 2734, nxpk= 20, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2114,2115,
&end
#
# 0 AMB 20-2:2735 21 LEU HB- 5.50 (# 2735:20 Single
Ambig)
&rst
ixpk= 2735, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 256, 257, 339, 340, 339, 340,
igr2= 267, 268,
&end
#
# 0 AMB 20-2:2736 21 LEU HB- 5.50 (# 2736:20 Single
Ambig)
&rst
ixpk= 2736, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4=
8.57,
igr1= 234, 227, 228, 227, 228,
igr2= 267, 268,
&end
#
# 73 ILE HA 73 ILE HB 4.50 (# 2737:20 Unique
3.04, 3.05 A)
&rst
ixpk= 2737, nxpk= 20, iat=1037,1039, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 148 PHE HD 73 ILE HB 5.50 (# 2738:20 Unique
2.47, 4.36 A)
&rst
ixpk= 2738, nxpk= 20, iat= -1,1039, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=2233,2241,
&end
#
# 98 ILE HN 97 LEU HB+ 5.50 (# 2742:20 Unique
2.17, 3.33 A)
&rst
ixpk= 2742, nxpk= 20, iat=1444, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1429,1430,
&end
#
# 3 ASP HA 3 ASP HB+ 4.50 (# 2743:20 Unique
2.50, 2.84 A)
&rst
ixpk= 2743, nxpk= 20, iat= 37, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 39, 40,
&end
#
# 0 AMB 20-2:2746 38 ASP HB- 4.50 (# 2746:20 Single
Ambig)
&rst
ixpk= 2746, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4=
8.14,
igr1= 492, 493, 494, 496, 497, 498, 91, 92, 93, 95,
96, 97,
igr2= 525, 526,
&end
#
# 37 ILE HA 38 ASP HB- 5.50 (# 2747:20 Unique
4.18, 4.60 A)
&rst
ixpk= 2747, nxpk= 20, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 525, 526,
&end
#
# 0 AMB 20-2:2748 0 AMB 20-1:2748 2.80 (# 2748:20 Double
Ambig)
&rst
ixpk= 2748, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4=
6.61,
igr1=1993,1994,1995,1997,1998,1999, 291, 292, 293, 295,
296, 297,2038,2039,2040,2042,2043,2044,
igr2= 286, 287, 286, 287, 286, 287,
&end
#
# 0 AMB 20-2:2749 0 AMB 20-1:2749 3.50 (# 2749:20 Double
Ambig)
&rst
ixpk= 2749, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4=
7.17,
igr1=1993,1994,1995,1997,1998,1999, 291, 292, 293, 295,
296, 297,
igr2= 286, 287, 286, 287,
&end
#
# 0 AMB 20-2:2751 0 AMB 20-1:2751 2.80 (# 2751:20 Double
Ambig)
&rst
ixpk= 2751, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4=
4.94,
igr1=1101, 289,1107,1108,
igr2=1640,1641, 286, 287,
&end
#
# 110 PHE HD 110 PHE HB- 4.50 (# 2752:20 Unique
2.30, 3.09 A)
&rst
ixpk= 2752, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1644,1652,
igr2=1640,1641,
&end
#
# 110 PHE HN 110 PHE HB- 4.50 (# 2753:20 Unique
2.63, 2.86 A)
&rst
ixpk= 2753, nxpk= 20, iat=1636, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1640,1641,
&end
#
# 149 ALA HN 148 PHE HB+ 4.50 (# 2754:20 Unique
2.19, 3.25 A)
&rst
ixpk= 2754, nxpk= 20, iat=2245, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=2229,2230,
&end
#
# 149 ALA HN 148 PHE HB- 4.50 (# 2755:20 Unique
2.19, 3.25 A)
&rst
ixpk= 2755, nxpk= 20, iat=2245, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=2229,2230,
&end
#
# 148 PHE HN 148 PHE HB+ 3.50 (# 2756:20 Unique
2.24, 2.91 A)
&rst
ixpk= 2756, nxpk= 20, iat=2225, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=2229,2230,
&end
#
# 0 AMB 20-2:2757 0 AMB 20-1:2757 5.50 (# 2757:20 Double
Ambig)
&rst
ixpk= 2757, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=1394,1395,1467,1468, 615, 616,
igr2=1448, 672,
&end
#
# 97 LEU HA 0 AMB 20-1:2758 5.50 (# 2758:20 Single
Ambig)
&rst
ixpk= 2758, nxpk= 20, iat=1427, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 627,1448,
&end
#
# 3 ASP HN 3 ASP HB- 4.50 (# 2759:20 Unique
2.20, 2.93 A)
&rst
ixpk= 2759, nxpk= 20, iat= 35, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 39, 40,
&end
#
# 35 VAL HN 3 ASP HB- 5.50 (# 2760:20 Unique
3.61, 4.16 A)
&rst
ixpk= 2760, nxpk= 20, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 39, 40,
&end
#
# 113 ILE HA 113 ILE HB 5.50 (# 2761:20 Unique
3.03, 3.04 A)
&rst
ixpk= 2761, nxpk= 20, iat=1684,1686, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 20-2:2762 53 LEU HB- 5.50 (# 2762:20 Single
Ambig)
&rst
ixpk= 2762, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 770, 771, 670,
igr2= 730, 731,
&end
#
# 68 LEU HA 68 LEU HB- 4.50 (# 2763:20 Unique
2.43, 2.76 A)
&rst
ixpk= 2763, nxpk= 20, iat= 968, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 970, 971,
&end
#
# 72 GLU HG+ 68 LEU HB+ 5.50 (# 2764:20 Unique
2.25, 3.31 A)
&rst
ixpk= 2764, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1027,1028,
igr2= 970, 971,
&end
#
# 72 GLU HG+ 68 LEU HB- 5.50 (# 2765:20 Unique
2.25, 3.31 A)
&rst
ixpk= 2765, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1027,1028,
igr2= 970, 971,
&end
#
# 68 LEU HN 68 LEU HB+ 5.50 (# 2766:20 Unique
2.37, 3.04 A)
&rst
ixpk= 2766, nxpk= 20, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 970, 971,
&end
#
# 68 LEU HN 68 LEU HB- 4.50 (# 2767:20 Unique
2.37, 3.04 A)
&rst
ixpk= 2767, nxpk= 20, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 970, 971,
&end
#
# 102 LYS HN 101 LEU HB- 5.50 (# 2768:20 Unique
2.43, 3.18 A)
&rst
ixpk= 2768, nxpk= 20, iat=1511, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1496,1497,
&end
#
# 101 LEU HA 101 LEU HB- 4.50 (# 2769:20 Unique
2.37, 2.75 A)
&rst
ixpk= 2769, nxpk= 20, iat=1494, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1496,1497,
&end
#
# 98 ILE HA 101 LEU HB- 5.50 (# 2770:20 Unique
2.50, 3.62 A)
&rst
ixpk= 2770, nxpk= 20, iat=1446, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1496,1497,
&end
#
# 0 AMB 20-2:2771 0 AMB 20-1:2771 5.50 (# 2771:20 Double
Ambig)
&rst
ixpk= 2771, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 770, 771, 670,
igr2= 730, 731, 730, 731,
&end
#
# 0 AMB 20-2:2772 0 AMB 20-1:2772 5.50 (# 2772:20 Double
Ambig)
&rst
ixpk= 2772, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4=
9.23,
igr1= 755, 756, 755, 756,
igr2= 730, 731, 730, 731,
&end
#
# 54 ARG HN 53 LEU HB+ 5.50 (# 2773:20 Unique
2.80, 3.66 A)
&rst
ixpk= 2773, nxpk= 20, iat= 745, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 730, 731,
&end
#
# 116 ASP HN 116 ASP HB- 4.50 (# 2774:20 Unique
2.66, 3.02 A)
&rst
ixpk= 2774, nxpk= 20, iat=1732, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1736,1737,
&end
#
# 117 ILE HN 116 ASP HB- 4.50 (# 2775:20 Unique
2.53, 3.45 A)
&rst
ixpk= 2775, nxpk= 20, iat=1744, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1736,1737,
&end
#
# 62 ASP HN 62 ASP HB+ 4.50 (# 2776:20 Unique
3.01, 3.27 A)
&rst
ixpk= 2776, nxpk= 20, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 898, 899,
&end
#
# 62 ASP HN 62 ASP HB- 5.50 (# 2777:20 Unique
3.01, 3.27 A)
&rst
ixpk= 2777, nxpk= 20, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 898, 899,
&end
#
# 85 PHE HD 62 ASP HB- 5.50 (# 2778:20 Unique
4.72, 7.00 A)
&rst
ixpk= 2778, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1235,1243,
igr2= 898, 899,
&end
#
# 18 ALA HN 62 ASP HB- 5.50 (# 2779:20 Unique
6.03, 6.26 A)
&rst
ixpk= 2779, nxpk= 20, iat= 232, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 898, 899,
&end
#
# 18 ALA HN 62 ASP HB+ 5.50 (# 2780:20 Unique
6.03, 6.26 A)
&rst
ixpk= 2780, nxpk= 20, iat= 232, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 898, 899,
&end
#
# 0 AMB 20-2:2781 0 AMB 20-1:2781 4.50 (# 2781:20 Double
Ambig)
&rst
ixpk= 2781, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1= 758,1235,1243,
igr2=1552,1553, 898, 899,
&end
#
# 105 ILE HN 104 ASP HB+ 4.50 (# 2782:20 Unique
2.62, 3.52 A)
&rst
ixpk= 2782, nxpk= 20, iat=1560, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1552,1553,
&end
#
# 74 ARG HE 74 ARG HD+ 4.50 (# 2784:20 Unique
2.24, 2.62 A)
&rst
ixpk= 2784, nxpk= 20, iat=1067, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1064,1065,
&end
#
# 10 ASN HN 16 ASP HB+ 5.50 (# 2785:20 Unique
2.98, 3.96 A)
&rst
ixpk= 2785, nxpk= 20, iat= 135, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 217, 218,
&end
#
# 0 AMB 20-2:2786 0 AMB 20-1:2786 5.50 (# 2786:20 Double
Ambig)
&rst
ixpk= 2786, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1= 225, 160,
igr2= 217, 218, 217, 218,
&end
#
# 0 AMB 20-2:2787 104 ASP HB- 5.50 (# 2787:20 Single
Ambig)
&rst
ixpk= 2787, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4=
9.23,
igr1=1537,1538, 691, 692, 691, 692, 749, 750,
igr2=1552,1553,
&end
#
# 0 AMB 20-2:2788 104 ASP HB- 5.50 (# 2788:20 Single
Ambig)
&rst
ixpk= 2788, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=1570,1571, 694, 695,
igr2=1552,1553,
&end
#
# 0 AMB 20-2:2789 104 ASP HB- 5.50 (# 2789:20 Single
Ambig)
&rst
ixpk= 2789, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4=
9.40,
igr1=1501,1502,1503,1505,1506,1507,1573,1574,1575,
igr2=1552,1553,
&end
#
# 105 ILE HN 104 ASP HB- 5.50 (# 2790:20 Unique
2.62, 3.52 A)
&rst
ixpk= 2790, nxpk= 20, iat=1560, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1552,1553,
&end
#
# 116 ASP HN 116 ASP HB+ 4.50 (# 2791:20 Unique
2.66, 3.02 A)
&rst
ixpk= 2791, nxpk= 20, iat=1732, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1736,1737,
&end
#
# 54 ARG HN 0 AMB 20-1:2792 5.50 (# 2792:20 Single
Ambig)
&rst
ixpk= 2792, nxpk= 20, iat= 745, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr2= 755, 756, 755, 756,
&end
#
# 48 VAL HA 51 ARG HD+ 5.50 (# 2793:20 Unique
2.52, 3.52 A)
&rst
ixpk= 2793, nxpk= 20, iat= 644, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 697, 698,
&end
#
# 48 VAL HA 51 ARG HD- 5.50 (# 2794:20 Unique
2.52, 3.52 A)
&rst
ixpk= 2794, nxpk= 20, iat= 644, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 697, 698,
&end
#
# 51 ARG HA 51 ARG HD+ 5.50 (# 2795:20 Unique
4.30, 4.55 A)
&rst
ixpk= 2795, nxpk= 20, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 697, 698,
&end
#
# 51 ARG HA 51 ARG HD- 5.50 (# 2796:20 Unique
4.30, 4.55 A)
&rst
ixpk= 2796, nxpk= 20, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 697, 698,
&end
#
# 51 ARG HE 51 ARG HD- 5.50 (# 2797:20 Unique
2.35, 2.81 A)
&rst
ixpk= 2797, nxpk= 20, iat= 700, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 697, 698,
&end
#
# 51 ARG HN 51 ARG HD+ 5.50 (# 2798:20 Unique
3.99, 4.46 A)
&rst
ixpk= 2798, nxpk= 20, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 697, 698,
&end
#
# 51 ARG HN 51 ARG HD- 5.50 (# 2799:20 Unique
3.99, 4.46 A)
&rst
ixpk= 2799, nxpk= 20, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 697, 698,
&end
#
# 148 PHE HN 147 GLY HA+ 5.50 (# 2800:20 Unique
3.20, 3.42 A)
&rst
ixpk= 2800, nxpk= 20, iat=2225, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2220,2221,
&end
#
# 0 AMB 20-2:2801 0 AMB 20-1:2801 4.50 (# 2801:20 Double
Ambig)
&rst
ixpk= 2801, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 188, 189, 190, 181, 182,
igr2=1781,1782,1781,1782,
&end
#
# 118 VAL MGY 119 GLY HA+ 5.50 (# 2802:20 Unique
3.27, 5.83 A)
&rst
ixpk= 2802, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=1769,1770,1771,1773,1774,1775,
igr2=1781,1782,
&end
#
# 9 GLY HN 9 GLY HA- 4.50 (# 2803:20 Unique
2.58, 2.80 A)
&rst
ixpk= 2803, nxpk= 20, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 130, 131,
&end
#
# 72 GLU HN 71 GLY HA+ 5.50 (# 2804:20 Unique
3.15, 3.33 A)
&rst
ixpk= 2804, nxpk= 20, iat=1020, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1015,1016,
&end
#
# 0 AMB 20-2:2805 0 AMB 20-1:2805 5.50 (# 2805:20 Double
Ambig)
&rst
ixpk= 2805, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=1920,1684,
igr2=1015,1016,1015,1016,
&end
#
# 128 ILE HA 71 GLY HA+ 3.50 (# 2806:20 Unique
2.41, 2.90 A)
&rst
ixpk= 2806, nxpk= 20, iat=1926, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1015,1016,
&end
#
# 127 PRO HB+ 71 GLY HA+ 4.50 (# 2807:20 Unique
2.34, 3.94 A)
&rst
ixpk= 2807, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1917,1918,
igr2=1015,1016,
&end
#
# 127 PRO HB- 71 GLY HA+ 4.50 (# 2808:20 Unique
2.34, 3.94 A)
&rst
ixpk= 2808, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1917,1918,
igr2=1015,1016,
&end
#
# 0 AMB 20-2:2809 39 GLY HA- 4.50 (# 2809:20 Single
Ambig)
&rst
ixpk= 2809, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1= 575, 576, 575, 576,
igr2= 535, 536,
&end
#
# 40 GLY HN 39 GLY HA- 5.50 (# 2810:20 Unique
3.01, 3.34 A)
&rst
ixpk= 2810, nxpk= 20, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 535, 536,
&end
#
# 148 PHE HN 147 GLY HA- 5.50 (# 2811:20 Unique
3.20, 3.42 A)
&rst
ixpk= 2811, nxpk= 20, iat=2225, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2220,2221,
&end
#
# 64 THR MG2 112 GLY HA- 4.50 (# 2812:20 Unique
3.93, 5.01 A)
&rst
ixpk= 2812, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1= 922, 923, 924,
igr2=1677,1678,
&end
#
# 66 MET ME 112 GLY HA- 4.50 (# 2813:20 Unique
3.75, 5.50 A)
&rst
ixpk= 2813, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1= 953, 954, 955,
igr2=1677,1678,
&end
#
# 111 LEU HA 112 GLY HA- 4.50 (# 2814:20 Unique
4.32, 4.39 A)
&rst
ixpk= 2814, nxpk= 20, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1677,1678,
&end
#
# 74 ARG HB- 74 ARG HD- 4.50 (# 2815:20 Unique
2.34, 3.28 A)
&rst
ixpk= 2815, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1058,1059,
igr2=1064,1065,
&end
#
# 74 ARG HB+ 74 ARG HD- 5.50 (# 2816:20 Unique
2.34, 3.28 A)
&rst
ixpk= 2816, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1058,1059,
igr2=1064,1065,
&end
#
# 151 LEU HA 74 ARG HD- 5.50 (# 2817:20 Unique
2.27, 3.89 A)
&rst
ixpk= 2817, nxpk= 20, iat=2274, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1064,1065,
&end
#
# 74 ARG HE 74 ARG HD- 5.50 (# 2819:20 Unique
2.24, 2.62 A)
&rst
ixpk= 2819, nxpk= 20, iat=1067, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1064,1065,
&end
#
# 75 ILE HN 74 ARG HD- 5.50 (# 2820:20 Unique
3.68, 3.85 A)
&rst
ixpk= 2820, nxpk= 20, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1064,1065,
&end
#
# 0 AMB 20-2:2821 74 ARG HD- 5.50 (# 2821:20 Single
Ambig)
&rst
ixpk= 2821, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2272,1054,
igr2=1064,1065,
&end
#
# 149 ALA HN 74 ARG HD- 5.50 (# 2822:20 Unique
3.15, 4.05 A)
&rst
ixpk= 2822, nxpk= 20, iat=2245, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1064,1065,
&end
#
# 0 AMB 20-2:2823 74 ARG HD- 5.50 (# 2823:20 Single
Ambig)
&rst
ixpk= 2823, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4=
9.84,
igr1= 975, 976, 977, 979, 980, 981, 975, 976, 977, 979,
980, 981,
igr2=1064,1065,
&end
#
# 151 LEU MDY 74 ARG HD- 5.50 (# 2824:20 Unique
4.11, 6.50 A)
&rst
ixpk= 2824, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=2281,2282,2283,2285,2286,2287,
igr2=1064,1065,
&end
#
# 20 PRO HD- 9 GLY HA+ 4.50 (# 2825:20 Unique
2.39, 3.54 A)
&rst
ixpk= 2825, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 250, 251,
igr2= 130, 131,
&end
#
# 20 PRO HD+ 9 GLY HA+ 5.50 (# 2826:20 Unique
2.39, 3.54 A)
&rst
ixpk= 2826, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 250, 251,
igr2= 130, 131,
&end
#
# 10 ASN HN 9 GLY HA+ 4.50 (# 2827:20 Unique
2.24, 2.58 A)
&rst
ixpk= 2827, nxpk= 20, iat= 135, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 130, 131,
&end
#
# 9 GLY HN 9 GLY HA+ 5.50 (# 2828:20 Unique
2.58, 2.80 A)
&rst
ixpk= 2828, nxpk= 20, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 130, 131,
&end
#
# 6 LEU HG 6 LEU HB+ 4.50 (# 2829:20 Unique
2.47, 2.77 A)
&rst
ixpk= 2829, nxpk= 20, iat= 89, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 86, 87,
&end
#
# 60 ILE HG1+ 6 LEU HB+ 4.50 (# 2830:20 Unique
2.25, 3.86 A)
&rst
ixpk= 2830, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 869, 870,
igr2= 86, 87,
&end
#
# 6 LEU HA 6 LEU HB+ 4.50 (# 2831:20 Unique
2.38, 2.71 A)
&rst
ixpk= 2831, nxpk= 20, iat= 84, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 86, 87,
&end
#
# 0 AMB 20-2:2832 0 AMB 20-1:2832 5.50 (# 2832:20 Double
Ambig)
&rst
ixpk= 2832, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1= 878, 668,
igr2= 86, 87, 86, 87,
&end
#
# 0 AMB 20-2:2833 0 AMB 20-1:2833 5.50 (# 2833:20 Double
Ambig)
&rst
ixpk= 2833, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1= 101, 521,
igr2= 86, 87, 86, 87,
&end
#
# 6 LEU HN 6 LEU HB+ 5.50 (# 2834:20 Unique
2.42, 2.84 A)
&rst
ixpk= 2834, nxpk= 20, iat= 82, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 86, 87,
&end
#
# 5 LEU HA 5 LEU HB+ 4.50 (# 2836:20 Unique
2.38, 2.72 A)
&rst
ixpk= 2836, nxpk= 20, iat= 65, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 67, 68,
&end
#
# 34 TRP HB+ 5 LEU HB+ 5.50 (# 2837:20 Unique
2.31, 3.41 A)
&rst
ixpk= 2837, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 450, 451,
igr2= 67, 68,
&end
#
# 5 LEU MDY 5 LEU HB+ 4.50 (# 2838:20 Unique
2.34, 3.35 A)
&rst
ixpk= 2838, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1= 72, 73, 74, 76, 77, 78,
igr2= 67, 68,
&end
#
# 62 ASP HN 112 GLY HA+ 5.50 (# 2839:20 Unique
3.12, 4.02 A)
&rst
ixpk= 2839, nxpk= 20, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1677,1678,
&end
#
# 112 GLY HN 112 GLY HA+ 4.50 (# 2840:20 Unique
2.37, 2.68 A)
&rst
ixpk= 2840, nxpk= 20, iat=1675, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1677,1678,
&end
#
# 64 THR HB 112 GLY HA+ 5.50 (# 2841:20 Unique
2.29, 3.06 A)
&rst
ixpk= 2841, nxpk= 20, iat= 920, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1677,1678,
&end
#
# 0 AMB 20-2:2842 0 AMB 20-1:2842 5.50 (# 2842:20 Double
Ambig)
&rst
ixpk= 2842, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4=
9.56,
igr1= 953, 954, 955,1214,1215,
igr2=1677,1678,1677,1678,
&end
#
# 76 ILE QD1 112 GLY HA+ 4.50 (# 2843:20 Unique
2.18, 3.75 A)
&rst
ixpk= 2843, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1110,1111,1112,
igr2=1677,1678,
&end
#
# 64 THR MG2 112 GLY HA+ 5.50 (# 2844:20 Unique
3.93, 5.01 A)
&rst
ixpk= 2844, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 922, 923, 924,
igr2=1677,1678,
&end
#
# 34 TRP HH2 57 ARG HD+ 5.50 (# 2845:20 Unique
2.70, 6.96 A)
&rst
ixpk= 2845, nxpk= 20, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 807, 808,
&end
#
# 127 PRO HB+ 71 GLY HA- 5.50 (# 2846:20 Unique
2.34, 3.94 A)
&rst
ixpk= 2846, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1917,1918,
igr2=1015,1016,
&end
#
# 127 PRO HB- 71 GLY HA- 5.50 (# 2847:20 Unique
2.34, 3.94 A)
&rst
ixpk= 2847, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1917,1918,
igr2=1015,1016,
&end
#
# 113 ILE QG2 71 GLY HA- 4.50 (# 2848:20 Unique
2.40, 3.80 A)
&rst
ixpk= 2848, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1688,1689,1690,
igr2=1015,1016,
&end
#
# 109 ILE QD1 57 ARG HD+ 5.50 (# 2849:20 Unique
2.22, 4.57 A)
&rst
ixpk= 2849, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1630,1631,1632,
igr2= 807, 808,
&end
#
# 128 ILE HA 71 GLY HA- 4.50 (# 2850:20 Unique
2.41, 2.90 A)
&rst
ixpk= 2850, nxpk= 20, iat=1926, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1015,1016,
&end
#
# 72 GLU HN 71 GLY HA- 5.50 (# 2851:20 Unique
3.15, 3.33 A)
&rst
ixpk= 2851, nxpk= 20, iat=1020, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1015,1016,
&end
#
# 57 ARG HB- 57 ARG HD- 4.50 (# 2852:20 Unique
2.29, 3.27 A)
&rst
ixpk= 2852, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 801, 802,
igr2= 807, 808,
&end
#
# 0 AMB 20-2:2853 57 ARG HD- 4.50 (# 2853:20 Single
Ambig)
&rst
ixpk= 2853, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1=1590,1591, 801, 802,
igr2= 807, 808,
&end
#
# 109 ILE QD1 57 ARG HD- 4.50 (# 2854:20 Unique
2.22, 4.57 A)
&rst
ixpk= 2854, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1630,1631,1632,
igr2= 807, 808,
&end
#
# 0 AMB 20-2:2856 0 AMB 20-1:2856 4.50 (# 2856:20 Double
Ambig)
&rst
ixpk= 2856, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4=
7.64,
igr1=1590,1591, 801, 802,
igr2= 807, 808, 807, 808,
&end
#
# 0 AMB 20-2:2857 57 ARG HD- 5.50 (# 2857:20 Single
Ambig)
&rst
ixpk= 2857, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 799, 37,
igr2= 807, 808,
&end
#
# 34 TRP HH2 57 ARG HD- 5.50 (# 2858:20 Unique
2.70, 6.96 A)
&rst
ixpk= 2858, nxpk= 20, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 807, 808,
&end
#
# 57 ARG HE 57 ARG HD- 4.50 (# 2859:20 Unique
2.41, 2.80 A)
&rst
ixpk= 2859, nxpk= 20, iat= 810, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 807, 808,
&end
#
# 57 ARG HE 57 ARG HD+ 4.50 (# 2860:20 Unique
2.41, 2.80 A)
&rst
ixpk= 2860, nxpk= 20, iat= 810, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 807, 808,
&end
#
# 113 ILE QG2 71 GLY HA+ 4.50 (# 2862:20 Unique
2.40, 3.80 A)
&rst
ixpk= 2862, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1688,1689,1690,
igr2=1015,1016,
&end
#
# 118 VAL HA 119 GLY HA+ 5.50 (# 2863:20 Unique
4.39, 4.46 A)
&rst
ixpk= 2863, nxpk= 20, iat=1765, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1781,1782,
&end
#
# 20 PRO HD+ 9 GLY HA- 5.50 (# 2864:20 Unique
2.39, 3.54 A)
&rst
ixpk= 2864, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 250, 251,
igr2= 130, 131,
&end
#
# 0 AMB 20-2:2865 0 AMB 20-1:2865 5.50 (# 2865:20 Double
Ambig)
&rst
ixpk= 2865, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1= 799, 37,
igr2= 807, 808, 807, 808,
&end
#
# 34 TRP HN 0 AMB 20-1:2866 5.50 (# 2866:20 Single
Ambig)
&rst
ixpk= 2866, nxpk= 20, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr2= 427, 428, 427, 428,
&end
#
# 33 ASN HN 0 AMB 20-1:2867 3.50 (# 2867:20 Single
Ambig)
&rst
ixpk= 2867, nxpk= 20, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr2= 427, 428, 427, 428,
&end
#
# 34 TRP HE1 0 AMB 20-1:2868 5.50 (# 2868:20 Single
Ambig)
&rst
ixpk= 2868, nxpk= 20, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr2= 427, 428, 427, 428,
&end
#
# 0 AMB 20-2:2869 0 AMB 20-1:2869 5.50 (# 2869:20 Double
Ambig)
&rst
ixpk= 2869, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 149, 242,
igr2= 227, 228, 227, 228, 227, 228,
&end
#
# 10 ASN HN 0 AMB 20-1:2870 4.50 (# 2870:20 Single
Ambig)
&rst
ixpk= 2870, nxpk= 20, iat= 135, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr2= 227, 228, 227, 228,
&end
#
# 18 ALA HN 0 AMB 20-1:2871 5.50 (# 2871:20 Single
Ambig)
&rst
ixpk= 2871, nxpk= 20, iat= 232, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr2= 227, 228, 227, 228,
&end
#
# 20 PRO HD- 0 AMB 20-1:2872 4.50 (# 2872:20 Single
Ambig)
&rst
ixpk= 2872, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1= 250, 251,
igr2= 227, 228, 227, 228,
&end
#
# 20 PRO HB- 0 AMB 20-1:2873 4.50 (# 2873:20 Single
Ambig)
&rst
ixpk= 2873, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1= 256, 257,
igr2= 227, 228, 227, 228,
&end
#
# 128 ILE QG2 0 AMB 20-1:2875 5.50 (# 2875:20 Single
Ambig)
&rst
ixpk= 2875, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=1930,1931,1932,
igr2= 227, 228, 227, 228,
&end
#
# 16 ASP HB- 0 AMB 20-1:2876 5.50 (# 2876:20 Single
Ambig)
&rst
ixpk= 2876, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1= 217, 218,
igr2= 227, 228, 227, 228,
&end
#
# 40 GLY HN 39 GLY HA+ 5.50 (# 2877:20 Unique
3.01, 3.34 A)
&rst
ixpk= 2877, nxpk= 20, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 535, 536,
&end
#
# 43 PRO HA 39 GLY HA+ 3.50 (# 2878:20 Unique
2.11, 2.72 A)
&rst
ixpk= 2878, nxpk= 20, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2= 535, 536,
&end
#
# 6 LEU MDX 39 GLY HA+ 4.50 (# 2879:20 Unique
2.21, 4.69 A)
&rst
ixpk= 2879, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1= 91, 92, 93, 95, 96, 97,
igr2= 535, 536,
&end
#
# 109 ILE HB 59 LEU HB- 5.50 (# 2880:20 Unique
2.82, 4.01 A)
&rst
ixpk= 2880, nxpk= 20, iat=1621, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 844, 845,
&end
#
# 34 TRP HH2 59 LEU HB- 5.50 (# 2882:20 Unique
3.81, 7.84 A)
&rst
ixpk= 2882, nxpk= 20, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 844, 845,
&end
#
# 59 LEU HA 59 LEU HB- 4.50 (# 2883:20 Unique
2.33, 2.74 A)
&rst
ixpk= 2883, nxpk= 20, iat= 842, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 844, 845,
&end
#
# 59 LEU HA 59 LEU HB+ 4.50 (# 2884:20 Unique
2.33, 2.74 A)
&rst
ixpk= 2884, nxpk= 20, iat= 842, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 844, 845,
&end
#
# 34 TRP HH2 59 LEU HB+ 5.50 (# 2885:20 Unique
3.81, 7.84 A)
&rst
ixpk= 2885, nxpk= 20, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 844, 845,
&end
#
# 59 LEU HN 59 LEU HB+ 4.50 (# 2887:20 Unique
2.41, 2.92 A)
&rst
ixpk= 2887, nxpk= 20, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 844, 845,
&end
#
# 59 LEU HN 59 LEU HB- 4.50 (# 2888:20 Unique
2.41, 2.92 A)
&rst
ixpk= 2888, nxpk= 20, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 844, 845,
&end
#
# 5 LEU HG 5 LEU HB- 4.50 (# 2889:20 Unique
2.32, 2.74 A)
&rst
ixpk= 2889, nxpk= 20, iat= 70, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 67, 68,
&end
#
# 34 TRP HB+ 5 LEU HB- 5.50 (# 2890:20 Unique
2.31, 3.41 A)
&rst
ixpk= 2890, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 450, 451,
igr2= 67, 68,
&end
#
# 36 VAL HA 5 LEU HB- 5.50 (# 2891:20 Unique
2.16, 3.24 A)
&rst
ixpk= 2891, nxpk= 20, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 67, 68,
&end
#
# 6 LEU HG 6 LEU HB- 5.50 (# 2893:20 Unique
2.47, 2.77 A)
&rst
ixpk= 2893, nxpk= 20, iat= 89, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 86, 87,
&end
#
# 6 LEU HA 6 LEU HB- 4.50 (# 2894:20 Unique
2.38, 2.71 A)
&rst
ixpk= 2894, nxpk= 20, iat= 84, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 86, 87,
&end
#
# 138 ARG HD+ 146 GLY HA- 5.50 (# 2896:20 Unique
3.46, 5.05 A)
&rst
ixpk= 2896, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2096,2097,
igr2=2213,2214,
&end
#
# 142 TRP HB- 146 GLY HA- 5.50 (# 2897:20 Unique
2.40, 3.66 A)
&rst
ixpk= 2897, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2155,2156,
igr2=2213,2214,
&end
#
# 142 TRP HA 146 GLY HA- 5.50 (# 2898:20 Unique
1.93, 2.45 A)
&rst
ixpk= 2898, nxpk= 20, iat=2153, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2213,2214,
&end
#
# 142 TRP HB- 146 GLY HA+ 5.50 (# 2899:20 Unique
2.40, 3.66 A)
&rst
ixpk= 2899, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2155,2156,
igr2=2213,2214,
&end
#
# 0 AMB 20-2:2901 146 GLY HA- 5.50 (# 2901:20 Single
Ambig)
&rst
ixpk= 2901, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2225,2151,
igr2=2213,2214,
&end
#
# 148 PHE HD 146 GLY HA- 4.50 (# 2902:20 Unique
2.23, 5.69 A)
&rst
ixpk= 2902, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=2233,2241,
igr2=2213,2214,
&end
#
# 142 TRP HE1 146 GLY HA- 5.50 (# 2903:20 Unique
4.16, 4.99 A)
&rst
ixpk= 2903, nxpk= 20, iat=2161, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2213,2214,
&end
#
# 0 AMB 20-2:2905 0 AMB 20-1:2905 5.50 (# 2905:20 Double
Ambig)
&rst
ixpk= 2905, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=2225,2151,
igr2=2213,2214,2213,2214,
&end
#
# 148 PHE HD 146 GLY HA+ 5.50 (# 2906:20 Unique
2.23, 5.69 A)
&rst
ixpk= 2906, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2233,2241,
igr2=2213,2214,
&end
#
# 142 TRP HA 146 GLY HA+ 5.50 (# 2907:20 Unique
1.93, 2.45 A)
&rst
ixpk= 2907, nxpk= 20, iat=2153, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2213,2214,
&end
#
# 57 ARG HB- 57 ARG HD+ 4.50 (# 2908:20 Unique
2.29, 3.27 A)
&rst
ixpk= 2908, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 801, 802,
igr2= 807, 808,
&end
#
# 107 GLU HN 57 ARG HD+ 5.50 (# 2909:20 Unique
4.17, 4.79 A)
&rst
ixpk= 2909, nxpk= 20, iat=1586, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 807, 808,
&end
#
# 107 GLU HN 57 ARG HD- 5.50 (# 2910:20 Unique
4.17, 4.79 A)
&rst
ixpk= 2910, nxpk= 20, iat=1586, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 807, 808,
&end
#
# 34 TRP HB- 5 LEU HB- 5.50 (# 2911:20 Unique
2.31, 3.41 A)
&rst
ixpk= 2911, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 450, 451,
igr2= 67, 68,
&end
#
# 5 LEU HN 5 LEU HB- 4.50 (# 2912:20 Unique
2.28, 2.84 A)
&rst
ixpk= 2912, nxpk= 20, iat= 63, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 67, 68,
&end
#
# 6 LEU HN 6 LEU HB- 4.50 (# 2913:20 Unique
2.42, 2.84 A)
&rst
ixpk= 2913, nxpk= 20, iat= 82, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 86, 87,
&end
#
# 0 AMB 20-2:2914 6 LEU HB- 5.50 (# 2914:20 Single
Ambig)
&rst
ixpk= 2914, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 101, 521,
igr2= 86, 87,
&end
#
# 151 LEU HA 74 ARG HD+ 4.50 (# 2915:20 Unique
2.27, 3.89 A)
&rst
ixpk= 2915, nxpk= 20, iat=2274, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1064,1065,
&end
#
# 16 ASP HA 16 ASP HB- 3.50 (# 2916:20 Unique
2.45, 2.78 A)
&rst
ixpk= 2916, nxpk= 20, iat= 215, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2= 217, 218,
&end
#
# 74 ARG HA 74 ARG HD+ 4.50 (# 2917:20 Unique
2.12, 2.65 A)
&rst
ixpk= 2917, nxpk= 20, iat=1056, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1064,1065,
&end
#
# 0 AMB 20-2:2918 16 ASP HB- 5.50 (# 2918:20 Single
Ambig)
&rst
ixpk= 2918, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 225, 160,
igr2= 217, 218,
&end
#
# 79 ASP HN 77 ASP HB- 5.50 (# 2919:20 Unique
3.52, 4.17 A)
&rst
ixpk= 2919, nxpk= 20, iat=1142, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1120,1121,
&end
#
# 79 ASP HN 77 ASP HB+ 5.50 (# 2920:20 Unique
3.52, 4.17 A)
&rst
ixpk= 2920, nxpk= 20, iat=1142, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1120,1121,
&end
#
# 34 TRP HE1 139 LEU HB+ 5.50 (# 2921:20 Unique
2.21, 3.88 A)
&rst
ixpk= 2921, nxpk= 20, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2114,2115,
&end
#
# 152 ALA HN 151 LEU HB+ 5.50 (# 2922:20 Unique
3.79, 4.12 A)
&rst
ixpk= 2922, nxpk= 20, iat=2291, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2276,2277,
&end
#
# 0 AMB 20-2:2923 0 AMB 20-1:2923 5.50 (# 2923:20 Double
Ambig)
&rst
ixpk= 2923, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=2257,1080,
igr2=2276,2277,2276,2277,
&end
#
# 76 ILE HA 151 LEU HB+ 5.50 (# 2924:20 Unique
2.96, 3.66 A)
&rst
ixpk= 2924, nxpk= 20, iat=1099, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2276,2277,
&end
#
# 151 LEU HA 151 LEU HB+ 4.50 (# 2925:20 Unique
2.47, 2.77 A)
&rst
ixpk= 2925, nxpk= 20, iat=2274, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=2276,2277,
&end
#
# 102 LYS HN 101 LEU HB+ 5.50 (# 2926:20 Unique
2.43, 3.18 A)
&rst
ixpk= 2926, nxpk= 20, iat=1511, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1496,1497,
&end
#
# 58 LEU HG 58 LEU HB- 4.50 (# 2927:20 Unique
2.44, 2.77 A)
&rst
ixpk= 2927, nxpk= 20, iat= 828, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 825, 826,
&end
#
# 108 VAL HA 58 LEU HB+ 5.50 (# 2928:20 Unique
2.31, 3.36 A)
&rst
ixpk= 2928, nxpk= 20, iat=1603, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 825, 826,
&end
#
# 108 VAL HA 58 LEU HB- 5.50 (# 2929:20 Unique
2.31, 3.36 A)
&rst
ixpk= 2929, nxpk= 20, iat=1603, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 825, 826,
&end
#
# 0 AMB 20-2:2930 58 LEU HB- 5.50 (# 2930:20 Single
Ambig)
&rst
ixpk= 2930, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 799, 37, 65,
igr2= 825, 826,
&end
#
# 58 LEU HA 58 LEU HB+ 5.50 (# 2931:20 Unique
2.36, 2.70 A)
&rst
ixpk= 2931, nxpk= 20, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 825, 826,
&end
#
# 58 LEU HA 58 LEU HB- 4.50 (# 2932:20 Unique
2.36, 2.70 A)
&rst
ixpk= 2932, nxpk= 20, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 825, 826,
&end
#
# 58 LEU HN 58 LEU HB+ 5.50 (# 2933:20 Unique
2.53, 2.99 A)
&rst
ixpk= 2933, nxpk= 20, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 825, 826,
&end
#
# 58 LEU HN 58 LEU HB- 5.50 (# 2934:20 Unique
2.53, 2.99 A)
&rst
ixpk= 2934, nxpk= 20, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 825, 826,
&end
#
# 59 LEU HN 58 LEU HB+ 5.50 (# 2935:20 Unique
3.92, 4.12 A)
&rst
ixpk= 2935, nxpk= 20, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 825, 826,
&end
#
# 61 VAL MGX 19 GLY HA- 4.50 (# 2936:20 Unique
2.84, 5.24 A)
&rst
ixpk= 2936, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1= 884, 885, 886, 888, 889, 890,
igr2= 244, 245,
&end
#
# 22 LEU MDX 19 GLY HA- 4.50 (# 2937:20 Unique
2.42, 5.56 A)
&rst
ixpk= 2937, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1= 291, 292, 293, 295, 296, 297,
igr2= 244, 245,
&end
#
# 0 AMB 20-2:2938 19 GLY HA- 5.50 (# 2938:20 Single
Ambig)
&rst
ixpk= 2938, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4=
8.57,
igr1= 286, 287, 236, 237, 238,
igr2= 244, 245,
&end
#
# 61 VAL HB 19 GLY HA- 5.50 (# 2939:20 Unique
2.78, 3.42 A)
&rst
ixpk= 2939, nxpk= 20, iat= 882, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 244, 245,
&end
#
# 20 PRO HG+ 19 GLY HA- 5.50 (# 2940:20 Unique
4.60, 5.48 A)
&rst
ixpk= 2940, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 253, 254,
igr2= 244, 245,
&end
#
# 0 AMB 20-2:2941 19 GLY HA- 5.50 (# 2941:20 Single
Ambig)
&rst
ixpk= 2941, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1= 105, 106, 898, 899,
igr2= 244, 245,
&end
#
# 0 AMB 20-2:2942 19 GLY HA- 5.50 (# 2942:20 Single
Ambig)
&rst
ixpk= 2942, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1= 286, 287, 898, 899,
igr2= 244, 245,
&end
#
# 7 CYS HB+ 19 GLY HA- 5.50 (# 2943:20 Unique
2.67, 3.76 A)
&rst
ixpk= 2943, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 105, 106,
igr2= 244, 245,
&end
#
# 20 PRO HD- 19 GLY HA- 4.50 (# 2944:20 Unique
2.48, 3.47 A)
&rst
ixpk= 2944, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 250, 251,
igr2= 244, 245,
&end
#
# 0 AMB 20-2:2945 19 GLY HA- 5.50 (# 2945:20 Single
Ambig)
&rst
ixpk= 2945, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 282, 301, 263,
igr2= 244, 245,
&end
#
# 8 VAL HN 19 GLY HA- 5.50 (# 2946:20 Unique
1.83, 2.55 A)
&rst
ixpk= 2946, nxpk= 20, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 244, 245,
&end
#
# 19 GLY HN 19 GLY HA+ 4.50 (# 2947:20 Unique
2.29, 2.57 A)
&rst
ixpk= 2947, nxpk= 20, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 244, 245,
&end
#
# 8 VAL HN 19 GLY HA+ 5.50 (# 2948:20 Unique
1.83, 2.55 A)
&rst
ixpk= 2948, nxpk= 20, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 244, 245,
&end
#
# 0 AMB 20-2:2949 0 AMB 20-1:2949 5.50 (# 2949:20 Double
Ambig)
&rst
ixpk= 2949, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1= 282, 301,
igr2= 244, 245, 244, 245,
&end
#
# 20 PRO HD- 19 GLY HA+ 4.50 (# 2950:20 Unique
2.48, 3.47 A)
&rst
ixpk= 2950, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 250, 251,
igr2= 244, 245,
&end
#
# 0 AMB 20-2:2951 0 AMB 20-1:2951 5.50 (# 2951:20 Double
Ambig)
&rst
ixpk= 2951, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4=
9.23,
igr1= 105, 106, 898, 899,
igr2= 244, 245, 244, 245,
&end
#
# 20 PRO HB- 19 GLY HA+ 5.50 (# 2952:20 Unique
5.39, 6.01 A)
&rst
ixpk= 2952, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 256, 257,
igr2= 244, 245,
&end
#
# 0 AMB 20-2:2953 0 AMB 20-1:2953 5.50 (# 2953:20 Double
Ambig)
&rst
ixpk= 2953, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4=
9.56,
igr1= 286, 287, 236, 237, 238,
igr2= 244, 245, 244, 245,
&end
#
# 22 LEU MDX 19 GLY HA+ 5.50 (# 2954:20 Unique
2.42, 5.56 A)
&rst
ixpk= 2954, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 291, 292, 293, 295, 296, 297,
igr2= 244, 245,
&end
#
# 61 VAL MGX 19 GLY HA+ 5.50 (# 2955:20 Unique
2.84, 5.24 A)
&rst
ixpk= 2955, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 884, 885, 886, 888, 889, 890,
igr2= 244, 245,
&end
#
# 0 AMB 20-2:2956 0 AMB 20-1:2956 5.50 (# 2956:20 Double
Ambig)
&rst
ixpk= 2956, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4=
9.23,
igr1=1831,1832, 205, 206,
igr2= 196, 197, 196, 197,
&end
#
# 0 AMB 20-2:2957 14 GLY HA- 4.50 (# 2957:20 Single
Ambig)
&rst
ixpk= 2957, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1=1831,1832, 205, 206,
igr2= 196, 197,
&end
#
# 0 AMB 20-2:2958 0 AMB 20-1:2958 5.50 (# 2958:20 Double
Ambig)
&rst
ixpk= 2958, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4=
9.84,
igr1=1750,1751,1752,1566,1567,1568,
igr2= 196, 197,1581,1582,
&end
#
# 105 ILE QG2 106 GLY HA- 5.50 (# 2959:20 Unique
4.00, 5.04 A)
&rst
ixpk= 2959, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1566,1567,1568,
igr2=1581,1582,
&end
#
# 0 AMB 20-2:2960 20 PRO HD- 5.50 (# 2960:20 Single
Ambig)
&rst
ixpk= 2960, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1= 227, 228, 227, 228,
igr2= 250, 251,
&end
#
# 0 AMB 20-2:2961 20 PRO HD- 5.50 (# 2961:20 Single
Ambig)
&rst
ixpk= 2961, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 130, 131, 259,
igr2= 250, 251,
&end
#
# 19 GLY HA+ 20 PRO HD- 4.50 (# 2962:20 Unique
2.48, 3.47 A)
&rst
ixpk= 2962, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 244, 245,
igr2= 250, 251,
&end
#
# 41 SER HB+ 20 PRO HD+ 5.50 (# 2963:20 Unique
6.29, 7.29 A)
&rst
ixpk= 2963, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 551, 552,
igr2= 250, 251,
&end
#
# 19 GLY HA+ 20 PRO HD+ 5.50 (# 2964:20 Unique
2.48, 3.47 A)
&rst
ixpk= 2964, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 244, 245,
igr2= 250, 251,
&end
#
# 20 PRO HB- 20 PRO HD+ 4.50 (# 2965:20 Unique
2.90, 3.69 A)
&rst
ixpk= 2965, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 256, 257,
igr2= 250, 251,
&end
#
# 20 PRO HB- 20 PRO HD- 4.50 (# 2966:20 Unique
2.90, 3.69 A)
&rst
ixpk= 2966, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 256, 257,
igr2= 250, 251,
&end
#
# 20 PRO HG+ 20 PRO HD- 4.50 (# 2967:20 Unique
2.29, 2.59 A)
&rst
ixpk= 2967, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 253, 254,
igr2= 250, 251,
&end
#
# 9 GLY HA+ 20 PRO HD+ 5.50 (# 2968:20 Unique
2.39, 3.54 A)
&rst
ixpk= 2968, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 130, 131,
igr2= 250, 251,
&end
#
# 9 GLY HA+ 20 PRO HD- 5.50 (# 2969:20 Unique
2.39, 3.54 A)
&rst
ixpk= 2969, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 130, 131,
igr2= 250, 251,
&end
#
# 0 AMB 20-2:2970 43 PRO HD- 4.50 (# 2970:20 Single
Ambig)
&rst
ixpk= 2970, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4=
8.14,
igr1= 118, 119, 120, 122, 123, 124,1380,1381,1382,1384,
1385,1386,
igr2= 569, 570,
&end
#
# 8 VAL MGY 43 PRO HD- 4.50 (# 2971:20 Unique
2.31, 4.88 A)
&rst
ixpk= 2971, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1= 118, 119, 120, 122, 123, 124,
igr2= 569, 570,
&end
#
# 42 ALA MB 43 PRO HD- 4.50 (# 2972:20 Unique
4.33, 4.88 A)
&rst
ixpk= 2972, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1= 562, 563, 564,
igr2= 569, 570,
&end
#
# 123 PRO HB+ 123 PRO HD- 5.50 (# 2973:20 Unique
2.94, 3.72 A)
&rst
ixpk= 2973, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1855,1856,
igr2=1849,1850,
&end
#
# 122 TYR HB- 123 PRO HD- 5.50 (# 2974:20 Unique
2.33, 3.76 A)
&rst
ixpk= 2974, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1831,1832,
igr2=1849,1850,
&end
#
# 122 TYR HB+ 123 PRO HD- 4.50 (# 2975:20 Unique
2.33, 3.76 A)
&rst
ixpk= 2975, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1831,1832,
igr2=1849,1850,
&end
#
# 0 AMB 20-2:2976 43 PRO HD- 5.50 (# 2976:20 Single
Ambig)
&rst
ixpk= 2976, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 558, 128,
igr2= 569, 570,
&end
#
# 44 GLU HN 43 PRO HD- 5.50 (# 2977:20 Unique
2.62, 3.43 A)
&rst
ixpk= 2977, nxpk= 20, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 569, 570,
&end
#
# 0 AMB 20-2:2978 43 PRO HD- 4.50 (# 2978:20 Single
Ambig)
&rst
ixpk= 2978, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 549, 578,
igr2= 569, 570,
&end
#
# 53 LEU HB- 55 PRO HD+ 5.50 (# 2979:20 Unique
2.26, 4.13 A)
&rst
ixpk= 2979, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 730, 731,
igr2= 770, 771,
&end
#
# 53 LEU HN 55 PRO HD+ 5.50 (# 2980:20 Unique
3.17, 4.09 A)
&rst
ixpk= 2980, nxpk= 20, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 770, 771,
&end
#
# 0 AMB 20-2:2981 93 PRO HD- 5.50 (# 2981:20 Single
Ambig)
&rst
ixpk= 2981, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=1408,1409,1408,1409,
igr2=1358,1359,
&end
#
# 91 ASN HB- 93 PRO HD+ 5.50 (# 2982:20 Unique
5.29, 6.77 A)
&rst
ixpk= 2982, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1330,1331,
igr2=1358,1359,
&end
#
# 0 AMB 20-2:2983 0 AMB 20-1:2983 5.50 (# 2983:20 Double
Ambig)
&rst
ixpk= 2983, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4=
9.23,
igr1=1408,1409,1408,1409,
igr2=1358,1359,1358,1359,
&end
#
# 122 TYR HB+ 123 PRO HD+ 4.50 (# 2984:20 Unique
2.33, 3.76 A)
&rst
ixpk= 2984, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1831,1832,
igr2=1849,1850,
&end
#
# 122 TYR HB- 123 PRO HD+ 4.50 (# 2985:20 Unique
2.33, 3.76 A)
&rst
ixpk= 2985, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1831,1832,
igr2=1849,1850,
&end
#
# 0 AMB 20-2:2986 0 AMB 20-1:2986 4.50 (# 2986:20 Double
Ambig)
&rst
ixpk= 2986, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4=
9.08,
igr1= 118, 119, 120, 122, 123, 124,1380,1381,1382,1384,
1385,1386,
igr2= 569, 570, 569, 570,
&end
#
# 8 VAL MGY 43 PRO HD+ 4.50 (# 2987:20 Unique
2.31, 4.88 A)
&rst
ixpk= 2987, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1= 118, 119, 120, 122, 123, 124,
igr2= 569, 570,
&end
#
# 29 ALA HN 30 PRO HD- 5.50 (# 2988:20 Unique
3.30, 4.02 A)
&rst
ixpk= 2988, nxpk= 20, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 390, 391,
&end
#
# 114 GLN HE2- 115 PRO HD- 4.50 (# 2989:20 Unique
1.95, 3.46 A)
&rst
ixpk= 2989, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1713,1714,
igr2=1719,1720,
&end
#
# 114 GLN HE2+ 115 PRO HD- 5.50 (# 2990:20 Unique
1.95, 3.46 A)
&rst
ixpk= 2990, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1713,1714,
igr2=1719,1720,
&end
#
# 63 ALA HA 115 PRO HD- 5.50 (# 2991:20 Unique
3.52, 4.48 A)
&rst
ixpk= 2991, nxpk= 20, iat= 908, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1719,1720,
&end
#
# 66 MET HN 115 PRO HD- 5.50 (# 2992:20 Unique
3.38, 4.22 A)
&rst
ixpk= 2992, nxpk= 20, iat= 942, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1719,1720,
&end
#
# 126 GLN HN 127 PRO HD- 4.50 (# 2993:20 Unique
2.35, 3.00 A)
&rst
ixpk= 2993, nxpk= 20, iat=1893, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1911,1912,
&end
#
# 96 TYR HD 93 PRO HD- 5.50 (# 2994:20 Unique
3.28, 6.22 A)
&rst
ixpk= 2994, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1412,1421,
igr2=1358,1359,
&end
#
# 29 ALA HA 30 PRO HD- 2.80 (# 2995:20 Unique
2.12, 2.44 A)
&rst
ixpk= 2995, nxpk= 20, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr2= 390, 391,
&end
#
# 128 ILE QD1 115 PRO HD- 5.50 (# 2996:20 Unique
5.74, 6.80 A)
&rst
ixpk= 2996, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1937,1938,1939,
igr2=1719,1720,
&end
#
# 126 GLN HN 127 PRO HD+ 4.50 (# 2997:20 Unique
2.35, 3.00 A)
&rst
ixpk= 2997, nxpk= 20, iat=1893, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1911,1912,
&end
#
# 0 AMB 20-2:2998 0 AMB 20-1:2998 4.50 (# 2998:20 Double
Ambig)
&rst
ixpk= 2998, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1= 558, 128,
igr2= 569, 570, 569, 570,
&end
#
# 79 ASP HN 78 PRO HD+ 5.50 (# 2999:20 Unique
3.25, 3.91 A)
&rst
ixpk= 2999, nxpk= 20, iat=1142, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1129,1130,
&end
#
# 64 THR HN 115 PRO HD+ 5.50 (# 3000:20 Unique
2.49, 3.22 A)
&rst
ixpk= 3000, nxpk= 20, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1719,1720,
&end
#
# 0 AMB 20-2:3001 0 AMB 20-1:3001 5.50 (# 3001:20 Double
Ambig)
&rst
ixpk= 3001, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4=
9.40,
igr1=1340,1326,1390,
igr2=1358,1359,1358,1359,1358,1359,
&end
#
# 53 LEU HN 55 PRO HD- 5.50 (# 3002:20 Unique
3.17, 4.09 A)
&rst
ixpk= 3002, nxpk= 20, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 770, 771,
&end
#
# 44 GLU HN 43 PRO HD+ 5.50 (# 3003:20 Unique
2.62, 3.43 A)
&rst
ixpk= 3003, nxpk= 20, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 569, 570,
&end
#
# 122 TYR HN 123 PRO HD+ 5.50 (# 3004:20 Unique
4.82, 5.01 A)
&rst
ixpk= 3004, nxpk= 20, iat=1827, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1849,1850,
&end
#
# 122 TYR HA 123 PRO HD+ 2.80 (# 3005:20 Unique
2.23, 2.44 A)
&rst
ixpk= 3005, nxpk= 20, iat=1829, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr2=1849,1850,
&end
#
# 128 ILE QD1 127 PRO HD+ 5.50 (# 3006:20 Unique
3.06, 5.23 A)
&rst
ixpk= 3006, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1937,1938,1939,
igr2=1911,1912,
&end
#
# 127 PRO HB- 127 PRO HD+ 5.50 (# 3007:20 Unique
2.80, 3.68 A)
&rst
ixpk= 3007, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1917,1918,
igr2=1911,1912,
&end
#
# 128 ILE HN 127 PRO HD+ 5.50 (# 3008:20 Unique
2.76, 3.81 A)
&rst
ixpk= 3008, nxpk= 20, iat=1924, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1911,1912,
&end
#
# 129 LYS HN 127 PRO HD+ 5.50 (# 3009:20 Unique
4.58, 5.12 A)
&rst
ixpk= 3009, nxpk= 20, iat=1943, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1911,1912,
&end
#
# 77 ASP HB+ 78 PRO HD+ 5.50 (# 3010:20 Unique
3.70, 4.44 A)
&rst
ixpk= 3010, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1120,1121,
igr2=1129,1130,
&end
#
# 0 AMB 20-2:3011 0 AMB 20-1:3011 4.50 (# 3011:20 Double
Ambig)
&rst
ixpk= 3011, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4=
8.68,
igr1=1120,1121,1394,1395,1146,1147,
igr2=1129,1130,1129,1130,1129,1130,
&end
#
# 81 ILE QG2 78 PRO HD+ 5.50 (# 3012:20 Unique
5.50, 7.26 A)
&rst
ixpk= 3012, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1172,1173,1174,
igr2=1129,1130,
&end
#
# 0 AMB 20-2:3013 0 AMB 20-1:3013 5.50 (# 3013:20 Double
Ambig)
&rst
ixpk= 3013, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.51,
r4=12.01,
igr1=1607,1608,1609,1611,1612,1613,1607,1608,1609,1611,
1612,1613,1454,1455,
igr2=1129,1130,1129,1130,1129,1130,
&end
#
# 79 ASP HN 78 PRO HD- 5.50 (# 3014:20 Unique
3.25, 3.91 A)
&rst
ixpk= 3014, nxpk= 20, iat=1142, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1129,1130,
&end
#
# 0 AMB 20-2:3015 78 PRO HD- 5.50 (# 3015:20 Single
Ambig)
&rst
ixpk= 3015, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1116,1097,
igr2=1129,1130,
&end
#
# 0 AMB 20-2:3018 3 ASP HA 5.50 (# 3018:20 Single
Ambig)
&rst
ixpk= 3018, nxpk= 20, iat= -1, 37, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1= 448, 770, 771,
&end
#
# 5 LEU MDX 5 LEU HA 5.50 (# 3019:20 Unique
2.30, 3.96 A)
&rst
ixpk= 3019, nxpk= 20, iat= -1, 65, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 72, 73, 74, 76, 77, 78,
&end
#
# 73 ILE QG2 74 ARG HA 5.50 (# 3020:20 Unique
3.52, 4.73 A)
&rst
ixpk= 3020, nxpk= 20, iat= -1,1056, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1041,1042,1043,
&end
#
# 13 MET HN 13 MET HA 4.50 (# 3021:20 Unique
2.91, 2.94 A)
&rst
ixpk= 3021, nxpk= 20, iat= 177, 179, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 122 TYR HN 13 MET HA 5.50 (# 3022:20 Unique
3.43, 3.49 A)
&rst
ixpk= 3022, nxpk= 20, iat=1827, 179, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 119 GLY HN 13 MET HA 4.50 (# 3023:20 Unique
2.94, 3.26 A)
&rst
ixpk= 3023, nxpk= 20, iat=1779, 179, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 20-2:3024 0 AMB 20-1:3024 5.50 (# 3024:20 Double
Ambig)
&rst
ixpk= 3024, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 171, 172, 173,1835,1844,2168,
igr2= 179, 842,
&end
#
# 68 LEU HN 68 LEU HA 5.50 (# 3025:20 Unique
2.93, 2.95 A)
&rst
ixpk= 3025, nxpk= 20, iat= 966, 968, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 45 ASN HD2+ 45 ASN HA 5.50 (# 3026:20 Unique
3.43, 4.52 A)
&rst
ixpk= 3026, nxpk= 20, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 606, 607,
&end
#
# 114 GLN HE2+ 65 ASP HA 5.50 (# 3027:20 Unique
2.12, 2.63 A)
&rst
ixpk= 3027, nxpk= 20, iat= -1, 932, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1713,1714,
&end
#
# 65 ASP HN 65 ASP HA 4.50 (# 3028:20 Unique
2.90, 2.91 A)
&rst
ixpk= 3028, nxpk= 20, iat= 930, 932, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 20-2:3029 18 ALA HA 4.50 (# 3029:20 Single
Ambig)
&rst
ixpk= 3029, nxpk= 20, iat= -1, 234, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 263, 282,
&end
#
# 17 GLY HN 18 ALA HA 5.50 (# 3030:20 Unique
4.50, 4.74 A)
&rst
ixpk= 3030, nxpk= 20, iat= 225, 234, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 19 GLY HN 18 ALA HA 5.50 (# 3031:20 Unique
3.62, 3.64 A)
&rst
ixpk= 3031, nxpk= 20, iat= 242, 234, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 32 GLY HN 140 GLU HA 4.50 (# 3032:20 Unique
2.06, 2.43 A)
&rst
ixpk= 3032, nxpk= 20, iat= 425,2131, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 20-2:3034 0 AMB 20-1:3034 5.50 (# 3034:20 Double
Ambig)
&rst
ixpk= 3034, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=2052,2053,2052,2053,
igr2= 284,2071,
&end
#
# 0 AMB 20-2:3035 0 AMB 20-1:3035 5.50 (# 3035:20 Double
Ambig)
&rst
ixpk= 3035, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2048, 403,
igr2= 284,2071,
&end
#
# 0 AMB 20-2:3039 113 ILE HA 5.50 (# 3039:20 Single
Ambig)
&rst
ixpk= 3039, nxpk= 20, iat= -1,1684, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1= 908,1677,1678,
&end
#
# 0 AMB 20-2:3040 113 ILE HA 5.50 (# 3040:20 Single
Ambig)
&rst
ixpk= 3040, nxpk= 20, iat= -1,1684, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1705,1706,1705,1706,
&end
#
# 0 AMB 20-2:3041 113 ILE HA 5.50 (# 3041:20 Single
Ambig)
&rst
ixpk= 3041, nxpk= 20, iat= -1,1684, r1= 1.30, r2= 1.80, r3= 7.19, r4=
7.69,
igr1=1981,1982,1983, 970, 971,
&end
#
# 113 ILE HB 113 ILE HA 4.50 (# 3042:20 Unique
3.03, 3.04 A)
&rst
ixpk= 3042, nxpk= 20, iat=1686,1684, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 20-2:3043 113 ILE HA 5.50 (# 3043:20 Single
Ambig)
&rst
ixpk= 3043, nxpk= 20, iat= -1,1684, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=1048,1049,1050,2038,2039,2040,2042,2043,2044,1937,
1938,1939,
&end
#
# 73 ILE QG2 113 ILE HA 5.50 (# 3044:20 Unique
3.88, 4.99 A)
&rst
ixpk= 3044, nxpk= 20, iat= -1,1684, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1041,1042,1043,
&end
#
# 15 ASP HN 118 VAL HA 5.50 (# 3045:20 Unique
2.45, 2.73 A)
&rst
ixpk= 3045, nxpk= 20, iat= 201,1765, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 139 LEU MDY 136 TYR HA 5.50 (# 3046:20 Unique
2.18, 4.40 A)
&rst
ixpk= 3046, nxpk= 20, iat= -1,2050, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=2119,2120,2121,2123,2124,2125,
&end
#
# 0 AMB 20-2:3047 136 TYR HA 5.50 (# 3047:20 Single
Ambig)
&rst
ixpk= 3047, nxpk= 20, iat= -1,2050, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=2114,2115, 70,
&end
#
# 0 AMB 20-2:3048 136 TYR HA 5.50 (# 3048:20 Single
Ambig)
&rst
ixpk= 3048, nxpk= 20, iat= -1,2050, r1= 1.30, r2= 1.80, r3= 7.19, r4=
7.69,
igr1= 407, 408, 330, 331, 289,
&end
#
# 0 AMB 20-2:3049 142 TRP HA 4.50 (# 3049:20 Single
Ambig)
&rst
ixpk= 3049, nxpk= 20, iat= -1,2153, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=2179,2180,2114,2115,
&end
#
# 139 LEU HN 136 TYR HA 5.50 (# 3052:20 Unique
3.49, 3.67 A)
&rst
ixpk= 3052, nxpk= 20, iat=2110,2050, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 20-2:3053 136 TYR HA 5.50 (# 3053:20 Single
Ambig)
&rst
ixpk= 3053, nxpk= 20, iat= -1,2050, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=2069,2018,
&end
#
# 0 AMB 20-2:3055 142 TRP HA 5.50 (# 3055:20 Single
Ambig)
&rst
ixpk= 3055, nxpk= 20, iat= -1,2153, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=2159, 459,
&end
#
# 0 AMB 20-2:3056 129 LYS HA 5.50 (# 3056:20 Single
Ambig)
&rst
ixpk= 3056, nxpk= 20, iat= -1,1945, r1= 1.30, r2= 1.80, r3= 7.61, r4=
8.11,
igr1=1953,1954,1866,1867,1981,1982,1983,
&end
#
# 0 AMB 20-2:3057 129 LYS HA 5.50 (# 3057:20 Single
Ambig)
&rst
ixpk= 3057, nxpk= 20, iat= -1,1945, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1869,1870,1956,1957,1969,1970,
&end
#
# 0 AMB 20-2:3058 129 LYS HA 5.50 (# 3058:20 Single
Ambig)
&rst
ixpk= 3058, nxpk= 20, iat= -1,1945, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1869,1870,1956,1957,
&end
#
# 128 ILE HN 129 LYS HA 5.50 (# 3059:20 Unique
5.19, 5.26 A)
&rst
ixpk= 3059, nxpk= 20, iat=1924,1945, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 132 VAL HN 129 LYS HA 5.50 (# 3060:20 Unique
3.41, 3.47 A)
&rst
ixpk= 3060, nxpk= 20, iat=1987,1945, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 130 ASP HN 129 LYS HA 5.50 (# 3061:20 Unique
3.57, 3.58 A)
&rst
ixpk= 3061, nxpk= 20, iat=1965,1945, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 54 ARG HN 51 ARG HA 5.50 (# 3062:20 Unique
3.27, 3.51 A)
&rst
ixpk= 3062, nxpk= 20, iat= 745, 689, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 129 LYS HN 126 GLN HA 5.50 (# 3063:20 Unique
3.34, 3.49 A)
&rst
ixpk= 3063, nxpk= 20, iat=1943,1895, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 53 LEU HN 51 ARG HA 5.50 (# 3064:20 Unique
3.78, 3.95 A)
&rst
ixpk= 3064, nxpk= 20, iat= 726, 689, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 73 ILE HA 113 ILE HA 3.50 (# 3065:20 Unique
2.35, 2.43 A)
&rst
ixpk= 3065, nxpk= 20, iat=1037,1684, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 113 ILE HN 113 ILE HA 5.50 (# 3066:20 Unique
2.97, 2.98 A)
&rst
ixpk= 3066, nxpk= 20, iat=1682,1684, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 37 ILE HN 37 ILE HA 4.50 (# 3067:20 Unique
2.96, 2.97 A)
&rst
ixpk= 3067, nxpk= 20, iat= 502, 504, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 136 TYR HD 133 GLU HA 4.50 (# 3068:20 Unique
2.34, 4.30 A)
&rst
ixpk= 3068, nxpk= 20, iat= -1,2005, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=2056,2065,
&end
#
# 136 TYR HN 133 GLU HA 5.50 (# 3069:20 Unique
3.37, 3.50 A)
&rst
ixpk= 3069, nxpk= 20, iat=2048,2005, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 103 GLU HN 103 GLU HA 2.80 (# 3070:20 Unique
2.75, 2.83 A)
&rst
ixpk= 3070, nxpk= 20, iat=1533,1535, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 97 LEU HN 94 LEU HA 4.50 (# 3071:20 Unique
2.86, 3.30 A)
&rst
ixpk= 3071, nxpk= 20, iat=1425,1373, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 4 VAL HA 34 TRP HA 5.50 (# 3073:20 Unique
3.14, 3.85 A)
&rst
ixpk= 3073, nxpk= 20, iat= 49, 448, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 20-2:3075 97 LEU HA 5.50 (# 3075:20 Single
Ambig)
&rst
ixpk= 3075, nxpk= 20, iat= -1,1427, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1475,1492,
&end
#
# 0 AMB 20-2:3076 4 VAL HA 4.50 (# 3076:20 Single
Ambig)
&rst
ixpk= 3076, nxpk= 20, iat= -1, 49, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 47, 35,
&end
#
# 34 TRP HB+ 4 VAL HA 5.50 (# 3078:20 Unique
3.40, 4.17 A)
&rst
ixpk= 3078, nxpk= 20, iat= -1, 49, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 450, 451,
&end
#
# 35 VAL HB 4 VAL HA 3.50 (# 3079:20 Unique
2.50, 2.81 A)
&rst
ixpk= 3079, nxpk= 20, iat= 474, 49, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 4 VAL HB 4 VAL HA 4.50 (# 3080:20 Unique
2.55, 3.00 A)
&rst
ixpk= 3080, nxpk= 20, iat= 51, 49, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 5 LEU HB+ 4 VAL HA 5.50 (# 3081:20 Unique
4.09, 4.43 A)
&rst
ixpk= 3081, nxpk= 20, iat= -1, 49, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 67, 68,
&end
#
# 36 VAL HA 4 VAL HA 5.50 (# 3082:20 Unique
4.29, 4.80 A)
&rst
ixpk= 3082, nxpk= 20, iat= 488, 49, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 34 TRP HA 4 VAL HA 5.50 (# 3083:20 Unique
3.14, 3.85 A)
&rst
ixpk= 3083, nxpk= 20, iat= 448, 49, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 20-2:3084 8 VAL HA 5.50 (# 3084:20 Single
Ambig)
&rst
ixpk= 3084, nxpk= 20, iat= -1, 114, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 535, 536, 569, 570,
&end
#
# 109 ILE HG1- 109 ILE HA 3.50 (# 3085:20 Unique
2.35, 3.17 A)
&rst
ixpk= 3085, nxpk= 20, iat= -1,1619, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1627,1628,
&end
#
# 59 LEU MDY 109 ILE HA 5.50 (# 3086:20 Unique
4.71, 7.04 A)
&rst
ixpk= 3086, nxpk= 20, iat= -1,1619, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 849, 850, 851, 853, 854, 855,
&end
#
# 99 ASP HN 96 TYR HA 4.50 (# 3088:20 Unique
3.00, 3.51 A)
&rst
ixpk= 3088, nxpk= 20, iat=1463,1406, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 130 ASP HN 126 GLN HA 5.50 (# 3089:20 Unique
3.82, 3.88 A)
&rst
ixpk= 3089, nxpk= 20, iat=1965,1895, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 126 GLN HE2+ 126 GLN HA 5.50 (# 3090:20 Unique
2.59, 3.33 A)
&rst
ixpk= 3090, nxpk= 20, iat= -1,1895, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1905,1906,
&end
#
# 0 AMB 20-2:3091 126 GLN HA 5.50 (# 3091:20 Single
Ambig)
&rst
ixpk= 3091, nxpk= 20, iat= -1,1895, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=1869,1870,1969,1970,1969,1970,1956,1957,
&end
#
# 0 AMB 20-2:3092 51 ARG HA 5.50 (# 3092:20 Single
Ambig)
&rst
ixpk= 3092, nxpk= 20, iat= -1, 689, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 697, 698, 697, 698,
&end
#
# 0 AMB 20-2:3093 0 AMB 20-1:3093 5.50 (# 3093:20 Double
Ambig)
&rst
ixpk= 3093, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=1552,1553,1869,1870,1956,1957,
igr2= 689,1895,
&end
#
# 0 AMB 20-2:3094 51 ARG HA 4.50 (# 3094:20 Single
Ambig)
&rst
ixpk= 3094, nxpk= 20, iat= -1, 689, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1= 770, 771, 670,
&end
#
# 122 TYR HN 121 TYR HA 4.50 (# 3095:20 Unique
2.55, 3.13 A)
&rst
ixpk= 3095, nxpk= 20, iat=1827,1808, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 73 ILE QG2 72 GLU HA 5.50 (# 3096:20 Unique
6.30, 6.55 A)
&rst
ixpk= 3096, nxpk= 20, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1041,1042,1043,
&end
#
# 73 ILE HG1- 72 GLU HA 5.50 (# 3097:20 Unique
3.94, 4.93 A)
&rst
ixpk= 3097, nxpk= 20, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1045,1046,
&end
#
# 101 LEU MDX 101 LEU HA 3.50 (# 3098:20 Unique
2.19, 3.88 A)
&rst
ixpk= 3098, nxpk= 20, iat= -1,1494, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1=1501,1502,1503,1505,1506,1507,
&end
#
# 110 PHE HN 110 PHE HA 5.50 (# 3099:20 Unique
2.95, 2.97 A)
&rst
ixpk= 3099, nxpk= 20, iat=1636,1638, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 66 MET HN 66 MET HA 4.50 (# 3100:20 Unique
2.98, 2.99 A)
&rst
ixpk= 3100, nxpk= 20, iat= 942, 944, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 67 GLY HN 66 MET HA 4.50 (# 3101:20 Unique
3.29, 3.31 A)
&rst
ixpk= 3101, nxpk= 20, iat= 959, 944, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 139 LEU HN 138 ARG HA 5.50 (# 3102:20 Unique
3.50, 3.56 A)
&rst
ixpk= 3102, nxpk= 20, iat=2110,2088, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 20-2:3103 49 ALA HA 3.50 (# 3103:20 Single
Ambig)
&rst
ixpk= 3103, nxpk= 20, iat= -1, 660, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1= 648, 649, 650, 652, 653, 654, 735, 736, 737, 739,
740, 741,
&end
#
# 0 AMB 20-2:3104 131 ALA HA 5.50 (# 3104:20 Single
Ambig)
&rst
ixpk= 3104, nxpk= 20, iat= -1,1979, r1= 1.30, r2= 1.80, r3= 7.19, r4=
7.69,
igr1=1045,1046,1695,1696,1697,
&end
#
# 134 THR HN 131 ALA HA 4.50 (# 3105:20 Unique
3.35, 3.43 A)
&rst
ixpk= 3105, nxpk= 20, iat=2018,1979, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 13 MET HN 11 SER HA 5.50 (# 3106:20 Unique
4.22, 4.35 A)
&rst
ixpk= 3106, nxpk= 20, iat= 177, 151, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 80 ASP HN 79 ASP HA 4.50 (# 3107:20 Unique
3.44, 3.47 A)
&rst
ixpk= 3107, nxpk= 20, iat=1154,1144, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 81 ILE HN 79 ASP HA 5.50 (# 3108:20 Unique
4.54, 4.60 A)
&rst
ixpk= 3108, nxpk= 20, iat=1166,1144, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 82 ALA MB 79 ASP HA 5.50 (# 3109:20 Unique
3.85, 4.82 A)
&rst
ixpk= 3109, nxpk= 20, iat= -1,1144, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1189,1190,1191,
&end
#
# 114 GLN HN 70 PRO HA 5.50 (# 3110:20 Unique
4.64, 4.82 A)
&rst
ixpk= 3110, nxpk= 20, iat=1701,1009, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 114 GLN HE2- 70 PRO HA 5.50 (# 3111:20 Unique
4.37, 5.22 A)
&rst
ixpk= 3111, nxpk= 20, iat= -1,1009, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1713,1714,
&end
#
# 152 ALA MB 153 VAL HA 5.50 (# 3112:20 Unique
4.80, 5.68 A)
&rst
ixpk= 3112, nxpk= 20, iat= -1,2303, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=2295,2296,2297,
&end
#
# 105 ILE QG2 55 PRO HA 5.50 (# 3113:20 Unique
4.67, 5.85 A)
&rst
ixpk= 3113, nxpk= 20, iat= -1, 779, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1566,1567,1568,
&end
#
# 0 AMB 20-2:3114 55 PRO HA 5.50 (# 3114:20 Single
Ambig)
&rst
ixpk= 3114, nxpk= 20, iat= -1, 779, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 37, 799,
&end
#
# 0 AMB 20-2:3116 26 CYS HA 4.50 (# 3116:20 Single
Ambig)
&rst
ixpk= 3116, nxpk= 20, iat= -1, 350, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1= 330, 331, 407, 408, 373, 374, 375, 363, 364, 365,
&end
#
# 0 AMB 20-2:3117 26 CYS HA 5.50 (# 3117:20 Single
Ambig)
&rst
ixpk= 3117, nxpk= 20, iat= -1, 350, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 390, 391, 328, 303,
&end
#
# 31 LYS HN 26 CYS HA 5.50 (# 3118:20 Unique
3.20, 3.91 A)
&rst
ixpk= 3118, nxpk= 20, iat= 403, 350, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 20-2:3120 89 THR HA 4.50 (# 3120:20 Single
Ambig)
&rst
ixpk= 3120, nxpk= 20, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1295,1309,
&end
#
# 130 ASP HN 128 ILE HA 5.50 (# 3121:20 Unique
4.36, 4.43 A)
&rst
ixpk= 3121, nxpk= 20, iat=1965,1926, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 20-2:3122 56 THR HB 5.50 (# 3122:20 Single
Ambig)
&rst
ixpk= 3122, nxpk= 20, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 37, 799,
&end
#
# 105 ILE QG2 56 THR HB 5.50 (# 3123:20 Unique
5.13, 6.09 A)
&rst
ixpk= 3123, nxpk= 20, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1566,1567,1568,
&end
#
# 150 GLN HB+ 75 ILE QD1 5.50 (# 3124:20 Unique
6.82, 7.63 A)
&rst
ixpk= 3124, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=2259,2260,
igr2=1091,1092,1093,
&end
#
# 49 ALA HN 48 VAL HA 5.50 (# 3125:20 Unique
3.62, 3.63 A)
&rst
ixpk= 3125, nxpk= 20, iat= 658, 644, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 34 TRP HZ2 34 TRP HH2 5.50 (# 3132:20 Unique
2.49, 2.50 A)
&rst
ixpk= 3132, nxpk= 20, iat= 459, 461, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 4 VAL HN 58 LEU HA 5.50 (# 3159:20 Unique
2.49, 2.70 A)
&rst
ixpk= 3159, nxpk= 20, iat= 47, 823, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 58 LEU HG 58 LEU HA 4.50 (# 3161:20 Unique
3.17, 3.30 A)
&rst
ixpk= 3161, nxpk= 20, iat= 828, 823, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 44 GLU HN 42 ALA HA 5.50 (# 3162:20 Unique
3.42, 3.51 A)
&rst
ixpk= 3162, nxpk= 20, iat= 582, 560, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 136 TYR HD 25 LYS HB- 5.50 (# 3167:20 Unique
2.82, 3.76 A)
&rst
ixpk= 3167, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2056,2065,
igr2= 330, 331,
&end
#
# 55 PRO HB+ 55 PRO HA 3.50 (# 3168:20 Unique
2.27, 2.65 A)
&rst
ixpk= 3168, nxpk= 20, iat= -1, 779, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 776, 777,
&end
#
# 145 ASN HD2- 75 ILE QD1 5.50 (# 3169:20 Unique
4.48, 5.42 A)
&rst
ixpk= 3169, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=2206,2207,
igr2=1091,1092,1093,
&end
#
# 110 PHE HN 75 ILE QD1 5.50 (# 3170:20 Unique
4.25, 5.67 A)
&rst
ixpk= 3170, nxpk= 20, iat=1636, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=1091,1092,1093,
&end
#
# 148 PHE HA 75 ILE QD1 5.50 (# 3171:20 Unique
5.09, 5.84 A)
&rst
ixpk= 3171, nxpk= 20, iat=2227, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=1091,1092,1093,
&end
#
# 40 GLY HN 8 VAL HA 5.50 (# 3172:20 Unique
2.64, 3.30 A)
&rst
ixpk= 3172, nxpk= 20, iat= 540, 114, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 20 PRO HB- 11 SER HA 4.50 (# 3174:20 Unique
2.25, 2.98 A)
&rst
ixpk= 3174, nxpk= 20, iat= -1, 151, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 256, 257,
&end
#
# 20 PRO HB+ 11 SER HA 5.50 (# 3176:20 Unique
2.25, 2.98 A)
&rst
ixpk= 3176, nxpk= 20, iat= -1, 151, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 256, 257,
&end
#
# 20 PRO HD+ 11 SER HA 5.50 (# 3177:20 Unique
3.77, 4.63 A)
&rst
ixpk= 3177, nxpk= 20, iat= -1, 151, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 250, 251,
&end
#
# 0 AMB 20-2:3178 0 AMB 20-1:3178 5.50 (# 3178:20 Double
Ambig)
&rst
ixpk= 3178, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 625, 644, 670,
igr2= 584, 713,
&end
#
# 100 GLN HE2+ 100 GLN HA 5.50 (# 3180:20 Unique
2.99, 4.56 A)
&rst
ixpk= 3180, nxpk= 20, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1487,1488,
&end
#
# 114 GLN HE2+ 114 GLN HA 5.50 (# 3181:20 Unique
3.07, 3.41 A)
&rst
ixpk= 3181, nxpk= 20, iat= -1,1703, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1713,1714,
&end
#
# 0 AMB 20-2:3182 28 ALA HA 5.50 (# 3182:20 Single
Ambig)
&rst
ixpk= 3182, nxpk= 20, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 359, 348,
&end
#
# 140 GLU HN 138 ARG HA 4.50 (# 3183:20 Unique
3.88, 4.21 A)
&rst
ixpk= 3183, nxpk= 20, iat=2129,2088, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 20-2:3184 23 ALA HA 3.50 (# 3184:20 Single
Ambig)
&rst
ixpk= 3184, nxpk= 20, iat= -1, 303, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 348, 359,
&end
#
# 114 GLN HE2+ 115 PRO HD+ 5.50 (# 3185:20 Unique
1.95, 3.46 A)
&rst
ixpk= 3185, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1713,1714,
igr2=1719,1720,
&end
#
# 128 ILE HN 127 PRO HD- 5.50 (# 3186:20 Unique
2.76, 3.81 A)
&rst
ixpk= 3186, nxpk= 20, iat=1924, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1911,1912,
&end
#
# 122 TYR HD 123 PRO HD- 5.50 (# 3187:20 Unique
2.46, 4.77 A)
&rst
ixpk= 3187, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1835,1844,
igr2=1849,1850,
&end
#
# 0 AMB 20-2:3188 0 AMB 20-1:3188 5.50 (# 3188:20 Double
Ambig)
&rst
ixpk= 3188, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4=
9.40,
igr1= 263, 135, 282,
igr2= 250, 251, 250, 251, 250, 251,
&end
#
# 0 AMB 20-2:3189 20 PRO HD- 5.50 (# 3189:20 Single
Ambig)
&rst
ixpk= 3189, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 263, 135, 282,
igr2= 250, 251,
&end
#
# 19 GLY HN 20 PRO HD+ 5.50 (# 3190:20 Unique
2.43, 2.82 A)
&rst
ixpk= 3190, nxpk= 20, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 250, 251,
&end
#
# 19 GLY HN 20 PRO HD- 5.50 (# 3191:20 Unique
2.43, 2.82 A)
&rst
ixpk= 3191, nxpk= 20, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 250, 251,
&end
#
# 20 PRO HG+ 20 PRO HD+ 3.50 (# 3192:20 Unique
2.29, 2.59 A)
&rst
ixpk= 3192, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 253, 254,
igr2= 250, 251,
&end
#
# 20 PRO HB+ 20 PRO HD+ 5.50 (# 3193:20 Unique
2.90, 3.69 A)
&rst
ixpk= 3193, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 256, 257,
igr2= 250, 251,
&end
#
# 20 PRO HB+ 20 PRO HD- 5.50 (# 3194:20 Unique
2.90, 3.69 A)
&rst
ixpk= 3194, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 256, 257,
igr2= 250, 251,
&end
#
# 150 GLN HG+ 149 ALA HA 5.50 (# 3195:20 Unique
4.13, 5.73 A)
&rst
ixpk= 3195, nxpk= 20, iat= -1,2247, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=2262,2263,
&end
#
# 0 AMB 20-2:3197 152 ALA HA 4.50 (# 3197:20 Single
Ambig)
&rst
ixpk= 3197, nxpk= 20, iat= -1,2293, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1=2307,2308,2309,2311,2312,2313,2307,2308,2309,2311,
2312,2313,
&end
#
# 0 AMB 20-2:3198 0 AMB 20-1:3198 5.50 (# 3198:20 Double
Ambig)
&rst
ixpk= 3198, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=1281,1247,
igr2=1330,1331,1330,1331,
&end
#
# 138 ARG HE 138 ARG HD- 5.50 (# 3202:20 Unique
2.47, 2.81 A)
&rst
ixpk= 3202, nxpk= 20, iat=2099, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2096,2097,
&end
#
# 0 AMB 20-2:3203 138 ARG HD- 5.50 (# 3203:20 Single
Ambig)
&rst
ixpk= 3203, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2225,2151,
igr2=2096,2097,
&end
#
# 138 ARG HN 138 ARG HD- 5.50 (# 3204:20 Unique
3.53, 5.05 A)
&rst
ixpk= 3204, nxpk= 20, iat=2086, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2096,2097,
&end
#
# 0 AMB 20-2:3205 0 AMB 20-1:3205 5.50 (# 3205:20 Double
Ambig)
&rst
ixpk= 3205, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4=
9.40,
igr1=1511,2175,2129,
igr2=1524,1525,1524,1525,2096,2097,
&end
#
# 138 ARG HE 138 ARG HD+ 4.50 (# 3208:20 Unique
2.47, 2.81 A)
&rst
ixpk= 3208, nxpk= 20, iat=2099, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=2096,2097,
&end
#
# 0 AMB 20-2:3209 0 AMB 20-1:3209 5.50 (# 3209:20 Double
Ambig)
&rst
ixpk= 3209, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=2225,2151,
igr2=2096,2097,2096,2097,
&end
#
# 0 AMB 20-2:3210 0 AMB 20-1:3210 5.50 (# 3210:20 Double
Ambig)
&rst
ixpk= 3210, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=2233,2241,2110,
igr2=2096,2097,2096,2097,
&end
#
# 138 ARG HN 138 ARG HD+ 5.50 (# 3211:20 Unique
3.53, 5.05 A)
&rst
ixpk= 3211, nxpk= 20, iat=2086, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2096,2097,
&end
#
# 80 ASP HN 77 ASP HB+ 5.50 (# 3212:20 Unique
3.18, 4.32 A)
&rst
ixpk= 3212, nxpk= 20, iat=1154, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1120,1121,
&end
#
# 150 GLN HE2+ 77 ASP HB- 4.50 (# 3214:20 Unique
2.63, 4.26 A)
&rst
ixpk= 3214, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=2267,2268,
igr2=1120,1121,
&end
#
# 150 GLN HE2- 77 ASP HB- 5.50 (# 3216:20 Unique
2.63, 4.26 A)
&rst
ixpk= 3216, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2267,2268,
igr2=1120,1121,
&end
#
# 81 ILE HN 80 ASP HB+ 4.50 (# 3217:20 Unique
2.59, 3.52 A)
&rst
ixpk= 3217, nxpk= 20, iat=1166, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1158,1159,
&end
#
# 77 ASP HN 80 ASP HB+ 4.50 (# 3218:20 Unique
2.59, 3.58 A)
&rst
ixpk= 3218, nxpk= 20, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1158,1159,
&end
#
# 88 THR HN 88 THR HA 4.50 (# 3219:20 Unique
2.73, 2.79 A)
&rst
ixpk= 3219, nxpk= 20, iat=1281,1283, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 146 GLY HN 0 AMB 20-1:3220 5.50 (# 3220:20 Single
Ambig)
&rst
ixpk= 3220, nxpk= 20, iat=2211, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr2=2192,2193,2192,2193,
&end
#
# 35 VAL HN 3 ASP HB+ 5.50 (# 3221:20 Unique
3.61, 4.16 A)
&rst
ixpk= 3221, nxpk= 20, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 39, 40,
&end
#
# 113 ILE HN 113 ILE HB 4.50 (# 3222:20 Unique
2.51, 2.58 A)
&rst
ixpk= 3222, nxpk= 20, iat=1682,1686, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 64 THR HN 113 ILE HB 5.50 (# 3223:20 Unique
3.79, 3.88 A)
&rst
ixpk= 3223, nxpk= 20, iat= 916,1686, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 20-2:3224 113 ILE HB 5.50 (# 3224:20 Single
Ambig)
&rst
ixpk= 3224, nxpk= 20, iat= -1,1686, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1701,1054,
&end
#
# 136 TYR HD 0 AMB 20-1:3225 5.50 (# 3225:20 Single
Ambig)
&rst
ixpk= 3225, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=2056,2065,
igr2= 339, 340, 339, 340,
&end
#
# 133 GLU HN 0 AMB 20-1:3226 5.50 (# 3226:20 Single
Ambig)
&rst
ixpk= 3226, nxpk= 20, iat=2003, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr2= 339, 340, 339, 340,
&end
#
# 0 AMB 20-2:3227 0 AMB 20-1:3227 5.50 (# 3227:20 Double
Ambig)
&rst
ixpk= 3227, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.56,
r4=11.06,
igr1= 326,2018,2069,2081,2082,
igr2= 339, 340, 339, 340, 339, 340, 339, 340, 339, 340,
&end
#
# 136 TYR HN 0 AMB 20-1:3228 5.50 (# 3228:20 Single
Ambig)
&rst
ixpk= 3228, nxpk= 20, iat=2048, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr2= 339, 340, 339, 340,
&end
#
# 116 ASP HN 15 ASP HB+ 5.50 (# 3229:20 Unique
2.76, 3.33 A)
&rst
ixpk= 3229, nxpk= 20, iat=1732, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 205, 206,
&end
#
# 116 ASP HN 15 ASP HB- 5.50 (# 3230:20 Unique
2.76, 3.33 A)
&rst
ixpk= 3230, nxpk= 20, iat=1732, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 205, 206,
&end
#
# 15 ASP HN 15 ASP HB+ 5.50 (# 3231:20 Unique
2.11, 2.94 A)
&rst
ixpk= 3231, nxpk= 20, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 205, 206,
&end
#
# 15 ASP HN 15 ASP HB- 5.50 (# 3232:20 Unique
2.11, 2.94 A)
&rst
ixpk= 3232, nxpk= 20, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 205, 206,
&end
#
# 66 MET HN 65 ASP HB- 5.50 (# 3233:20 Unique
4.18, 4.26 A)
&rst
ixpk= 3233, nxpk= 20, iat= 942, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 934, 935,
&end
#
# 111 LEU HN 110 PHE HB- 5.50 (# 3234:20 Unique
3.68, 4.07 A)
&rst
ixpk= 3234, nxpk= 20, iat=1656, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1640,1641,
&end
#
# 76 ILE HN 110 PHE HB- 5.50 (# 3235:20 Unique
3.17, 4.09 A)
&rst
ixpk= 3235, nxpk= 20, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1640,1641,
&end
#
# 0 AMB 20-2:3236 0 AMB 20-1:3236 5.50 (# 3236:20 Double
Ambig)
&rst
ixpk= 3236, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1= 160, 225,
igr2= 139, 140, 139, 140,
&end
#
# 118 VAL HN 117 ILE HB 5.50 (# 3237:20 Unique
3.06, 3.46 A)
&rst
ixpk= 3237, nxpk= 20, iat=1763,1748, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 122 TYR HD 117 ILE HB 5.50 (# 3239:20 Unique
2.70, 5.60 A)
&rst
ixpk= 3239, nxpk= 20, iat= -1,1748, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1835,1844,
&end
#
# 140 GLU HN 31 LYS HB+ 5.50 (# 3240:20 Unique
2.28, 3.48 A)
&rst
ixpk= 3240, nxpk= 20, iat=2129, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 407, 408,
&end
#
# 32 GLY HN 31 LYS HB+ 5.50 (# 3241:20 Unique
1.85, 3.03 A)
&rst
ixpk= 3241, nxpk= 20, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 407, 408,
&end
#
# 139 LEU HN 31 LYS HB+ 5.50 (# 3242:20 Unique
3.21, 4.64 A)
&rst
ixpk= 3242, nxpk= 20, iat=2110, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 407, 408,
&end
#
# 139 LEU HN 31 LYS HB- 5.50 (# 3243:20 Unique
3.21, 4.64 A)
&rst
ixpk= 3243, nxpk= 20, iat=2110, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 407, 408,
&end
#
# 151 LEU HN 75 ILE HB 5.50 (# 3244:20 Unique
3.47, 3.56 A)
&rst
ixpk= 3244, nxpk= 20, iat=2272,1082, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 99 ASP HN 98 ILE HB 3.50 (# 3245:20 Unique
2.62, 2.80 A)
&rst
ixpk= 3245, nxpk= 20, iat=1463,1448, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 73 ILE HN 72 GLU HG+ 5.50 (# 3246:20 Unique
4.71, 5.18 A)
&rst
ixpk= 3246, nxpk= 20, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1027,1028,
&end
#
# 33 ASN HN 33 ASN HB+ 4.50 (# 3247:20 Unique
2.86, 3.33 A)
&rst
ixpk= 3247, nxpk= 20, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 436, 437,
&end
#
# 121 TYR HN 121 TYR HB+ 5.50 (# 3249:20 Unique
3.08, 3.70 A)
&rst
ixpk= 3249, nxpk= 20, iat=1806, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1810,1811,
&end
#
# 122 TYR HN 121 TYR HB+ 5.50 (# 3250:20 Unique
3.87, 4.32 A)
&rst
ixpk= 3250, nxpk= 20, iat=1827, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1810,1811,
&end
#
# 122 TYR HN 121 TYR HB- 5.50 (# 3251:20 Unique
3.87, 4.32 A)
&rst
ixpk= 3251, nxpk= 20, iat=1827, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1810,1811,
&end
#
# 0 AMB 20-2:3252 0 AMB 20-1:3252 5.50 (# 3252:20 Double
Ambig)
&rst
ixpk= 3252, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=1788,1829,
igr2=1810,1811,1810,1811,
&end
#
# 0 AMB 20-2:3253 121 TYR HB- 5.50 (# 3253:20 Single
Ambig)
&rst
ixpk= 3253, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1788,1829,
igr2=1810,1811,
&end
#
# 0 AMB 20-2:3254 0 AMB 20-1:3254 5.50 (# 3254:20 Double
Ambig)
&rst
ixpk= 3254, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=2190,1617,
igr2=2182,2183,1593,1594,
&end
#
# 44 GLU HN 44 GLU HG- 4.50 (# 3255:20 Unique
1.76, 2.96 A)
&rst
ixpk= 3255, nxpk= 20, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 589, 590,
&end
#
# 44 GLU HN 44 GLU HG+ 5.50 (# 3256:20 Unique
1.76, 2.96 A)
&rst
ixpk= 3256, nxpk= 20, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 589, 590,
&end
#
# 66 MET HN 66 MET HB+ 5.50 (# 3257:20 Unique
2.53, 3.14 A)
&rst
ixpk= 3257, nxpk= 20, iat= 942, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 946, 947,
&end
#
# 68 LEU HN 66 MET HB- 5.50 (# 3259:20 Unique
2.76, 3.34 A)
&rst
ixpk= 3259, nxpk= 20, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 946, 947,
&end
#
# 71 GLY HN 70 PRO HB- 5.50 (# 3260:20 Unique
3.07, 3.50 A)
&rst
ixpk= 3260, nxpk= 20, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1006,1007,
&end
#
# 21 LEU HN 20 PRO HB+ 4.50 (# 3261:20 Unique
2.59, 3.33 A)
&rst
ixpk= 3261, nxpk= 20, iat= 263, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 256, 257,
&end
#
# 20 PRO HD- 20 PRO HB+ 5.50 (# 3262:20 Unique
2.90, 3.69 A)
&rst
ixpk= 3262, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 250, 251,
igr2= 256, 257,
&end
#
# 124 MET HA 124 MET HG- 4.50 (# 3263:20 Unique
2.44, 2.80 A)
&rst
ixpk= 3263, nxpk= 20, iat=1864, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1869,1870,
&end
#
# 124 MET HA 124 MET HG+ 4.50 (# 3264:20 Unique
2.44, 2.80 A)
&rst
ixpk= 3264, nxpk= 20, iat=1864, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1869,1870,
&end
#
# 15 ASP HA 124 MET HG+ 4.50 (# 3265:20 Unique
1.97, 2.80 A)
&rst
ixpk= 3265, nxpk= 20, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1869,1870,
&end
#
# 129 LYS HN 124 MET HG- 5.50 (# 3266:20 Unique
2.69, 3.48 A)
&rst
ixpk= 3266, nxpk= 20, iat=1943, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1869,1870,
&end
#
# 129 LYS HN 124 MET HG+ 5.50 (# 3267:20 Unique
2.69, 3.48 A)
&rst
ixpk= 3267, nxpk= 20, iat=1943, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1869,1870,
&end
#
# 0 AMB 20-2:3268 124 MET HG- 5.50 (# 3268:20 Single
Ambig)
&rst
ixpk= 3268, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1862,1744,
igr2=1869,1870,
&end
#
# 93 PRO HD- 93 PRO HB+ 4.50 (# 3269:20 Unique
2.75, 3.66 A)
&rst
ixpk= 3269, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1358,1359,
igr2=1364,1365,
&end
#
# 125 THR HN 124 MET HG- 5.50 (# 3270:20 Unique
2.64, 2.94 A)
&rst
ixpk= 3270, nxpk= 20, iat=1879, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1869,1870,
&end
#
# 125 THR HN 124 MET HG+ 5.50 (# 3271:20 Unique
2.64, 2.94 A)
&rst
ixpk= 3271, nxpk= 20, iat=1879, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1869,1870,
&end
#
# 66 MET HN 66 MET HG+ 5.50 (# 3272:20 Unique
2.76, 3.51 A)
&rst
ixpk= 3272, nxpk= 20, iat= 942, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 949, 950,
&end
#
# 0 AMB 20-2:3273 0 AMB 20-1:3273 5.50 (# 3273:20 Double
Ambig)
&rst
ixpk= 3273, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=1943,1492,1475,
igr2=1953,1954,1454,1455,
&end
#
# 0 AMB 20-2:3274 129 LYS HD- 5.50 (# 3274:20 Single
Ambig)
&rst
ixpk= 3274, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1943,2003,
igr2=1953,1954,
&end
#
# 126 GLN HE2+ 129 LYS HD+ 5.50 (# 3275:20 Unique
2.95, 4.71 A)
&rst
ixpk= 3275, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1905,1906,
igr2=1953,1954,
&end
#
# 126 GLN HE2+ 129 LYS HD- 5.50 (# 3276:20 Unique
2.95, 4.71 A)
&rst
ixpk= 3276, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1905,1906,
igr2=1953,1954,
&end
#
# 136 TYR HD 25 LYS HD- 5.50 (# 3277:20 Unique
2.71, 3.94 A)
&rst
ixpk= 3277, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2056,2065,
igr2= 336, 337,
&end
#
# 126 GLN HE2- 129 LYS HD- 5.50 (# 3278:20 Unique
2.95, 4.71 A)
&rst
ixpk= 3278, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1905,1906,
igr2=1953,1954,
&end
#
# 102 LYS HN 0 AMB 20-1:3279 4.50 (# 3279:20 Single
Ambig)
&rst
ixpk= 3279, nxpk= 20, iat=1511, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr2=1521,1522,1521,1522,
&end
#
# 32 GLY HN 140 GLU HB- 5.50 (# 3280:20 Unique
1.76, 3.11 A)
&rst
ixpk= 3280, nxpk= 20, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2133,2134,
&end
#
# 44 GLU HN 44 GLU HB+ 4.50 (# 3281:20 Unique
2.44, 3.18 A)
&rst
ixpk= 3281, nxpk= 20, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 586, 587,
&end
#
# 44 GLU HN 44 GLU HB- 4.50 (# 3282:20 Unique
2.44, 3.18 A)
&rst
ixpk= 3282, nxpk= 20, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 586, 587,
&end
#
# 0 AMB 20-2:3283 0 AMB 20-1:3283 5.50 (# 3283:20 Double
Ambig)
&rst
ixpk= 3283, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4=
9.40,
igr1=1013,1636,1617,
igr2=1003,1004,1132,1133,1132,1133,
&end
#
# 79 ASP HN 78 PRO HG+ 4.50 (# 3284:20 Unique
2.94, 4.12 A)
&rst
ixpk= 3284, nxpk= 20, iat=1142, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1132,1133,
&end
#
# 116 ASP HB+ 70 PRO HG- 5.50 (# 3285:20 Unique
2.18, 4.14 A)
&rst
ixpk= 3285, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1736,1737,
igr2=1003,1004,
&end
#
# 73 ILE QG2 113 ILE HG1- 5.50 (# 3286:20 Unique
2.45, 3.89 A)
&rst
ixpk= 3286, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1041,1042,1043,
igr2=1692,1693,
&end
#
# 59 LEU MDX 5 LEU MDX 5.50 (# 3287:20 Unique
2.26, 6.12 A)
&rst
ixpk= 3287, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99,
r4=10.49,
igr1= 849, 850, 851, 853, 854, 855,
igr2= 72, 73, 74, 76, 77, 78,
&end
#
# 59 LEU MDX 111 LEU MDY 5.50 (# 3288:20 Unique
2.67, 5.82 A)
&rst
ixpk= 3288, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99,
r4=10.49,
igr1= 849, 850, 851, 853, 854, 855,
igr2=1665,1666,1667,1669,1670,1671,
&end
#
# 139 LEU HG 5 LEU MDX 5.50 (# 3289:20 Unique
2.53, 4.95 A)
&rst
ixpk= 3289, nxpk= 20, iat=2117, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 72, 73, 74, 76, 77, 78,
&end
#
# 0 AMB 20-2:3291 5 LEU MDX 5.50 (# 3291:20 Single
Ambig)
&rst
ixpk= 3291, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4=
9.84,
igr1= 352, 353, 450, 451,
igr2= 72, 73, 74, 76, 77, 78,
&end
#
# 0 AMB 20-2:3292 5 LEU MDX 5.50 (# 3292:20 Single
Ambig)
&rst
ixpk= 3292, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4=
9.84,
igr1= 352, 353, 450, 451,
igr2= 72, 73, 74, 76, 77, 78,
&end
#
# 23 ALA HA 5 LEU MDX 5.50 (# 3293:20 Unique
3.06, 5.79 A)
&rst
ixpk= 3293, nxpk= 20, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 72, 73, 74, 76, 77, 78,
&end
#
# 36 VAL HA 5 LEU MDX 5.50 (# 3294:20 Unique
2.40, 4.93 A)
&rst
ixpk= 3294, nxpk= 20, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 72, 73, 74, 76, 77, 78,
&end
#
# 5 LEU HA 5 LEU MDX 5.50 (# 3295:20 Unique
2.30, 3.96 A)
&rst
ixpk= 3295, nxpk= 20, iat= 65, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 72, 73, 74, 76, 77, 78,
&end
#
# 135 VAL HB 111 LEU MDY 5.50 (# 3296:20 Unique
2.35, 4.54 A)
&rst
ixpk= 3296, nxpk= 20, iat=2036, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2=1665,1666,1667,1669,1670,1671,
&end
#
# 113 ILE HA 111 LEU MDY 5.50 (# 3298:20 Unique
4.53, 6.54 A)
&rst
ixpk= 3298, nxpk= 20, iat=1684, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2=1665,1666,1667,1669,1670,1671,
&end
#
# 112 GLY HA+ 111 LEU MDY 5.50 (# 3299:20 Unique
3.85, 6.51 A)
&rst
ixpk= 3299, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=1677,1678,
igr2=1665,1666,1667,1669,1670,1671,
&end
#
# 62 ASP HN 111 LEU MDY 5.50 (# 3301:20 Unique
3.81, 6.04 A)
&rst
ixpk= 3301, nxpk= 20, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2=1665,1666,1667,1669,1670,1671,
&end
#
# 73 ILE HN 111 LEU MDY 5.50 (# 3302:20 Unique
6.17, 7.49 A)
&rst
ixpk= 3302, nxpk= 20, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2=1665,1666,1667,1669,1670,1671,
&end
#
# 74 ARG HN 111 LEU MDY 5.50 (# 3303:20 Unique
3.99, 5.25 A)
&rst
ixpk= 3303, nxpk= 20, iat=1054, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2=1665,1666,1667,1669,1670,1671,
&end
#
# 0 AMB 20-2:3304 111 LEU MDY 4.50 (# 3304:20 Single
Ambig)
&rst
ixpk= 3304, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1=1675,2245,
igr2=1665,1666,1667,1669,1670,1671,
&end
#
# 0 AMB 20-2:3305 0 AMB 20-1:3305 5.50 (# 3305:20 Double
Ambig)
&rst
ixpk= 3305, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4=
9.40,
igr1= 521, 486, 101,
igr2= 512, 513, 512, 513, 512, 513,
&end
#
# 0 AMB 20-2:3306 37 ILE HG1- 5.50 (# 3306:20 Single
Ambig)
&rst
ixpk= 3306, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 521, 486, 101,
igr2= 512, 513,
&end
#
# 37 ILE HN 37 ILE HG1+ 5.50 (# 3307:20 Unique
3.05, 3.55 A)
&rst
ixpk= 3307, nxpk= 20, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 512, 513,
&end
#
# 37 ILE HN 37 ILE HG1- 5.50 (# 3308:20 Unique
3.05, 3.55 A)
&rst
ixpk= 3308, nxpk= 20, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 512, 513,
&end
#
# 112 GLY HN 111 LEU HG 5.50 (# 3309:20 Unique
3.19, 3.32 A)
&rst
ixpk= 3309, nxpk= 20, iat=1675,1663, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 20-2:3310 109 ILE HG1- 4.50 (# 3310:20 Single
Ambig)
&rst
ixpk= 3310, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1617,1636,
igr2=1627,1628,
&end
#
# 0 AMB 20-2:3311 113 ILE HG1- 5.50 (# 3311:20 Single
Ambig)
&rst
ixpk= 3311, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1054,1701,
igr2=1692,1693,
&end
#
# 11 SER HN 20 PRO HG- 4.50 (# 3312:20 Unique
2.47, 3.20 A)
&rst
ixpk= 3312, nxpk= 20, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 253, 254,
&end
#
# 44 GLU HN 0 AMB 20-1:3313 5.50 (# 3313:20 Single
Ambig)
&rst
ixpk= 3313, nxpk= 20, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr2= 572, 573, 572, 573,
&end
#
# 11 SER HN 20 PRO HG+ 5.50 (# 3314:20 Unique
2.47, 3.20 A)
&rst
ixpk= 3314, nxpk= 20, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 253, 254,
&end
#
# 60 ILE HN 60 ILE HG1+ 4.50 (# 3315:20 Unique
2.62, 3.54 A)
&rst
ixpk= 3315, nxpk= 20, iat= 859, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 869, 870,
&end
#
# 51 ARG HN 51 ARG HG+ 5.50 (# 3316:20 Unique
2.64, 3.29 A)
&rst
ixpk= 3316, nxpk= 20, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 694, 695,
&end
#
# 51 ARG HE 51 ARG HG+ 5.50 (# 3318:20 Unique
2.50, 2.74 A)
&rst
ixpk= 3318, nxpk= 20, iat= 700, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 694, 695,
&end
#
# 54 ARG HN 0 AMB 20-1:3319 4.50 (# 3319:20 Single
Ambig)
&rst
ixpk= 3319, nxpk= 20, iat= 745, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr2= 749, 750, 773, 774,
&end
#
# 73 ILE HN 73 ILE HG1+ 4.50 (# 3320:20 Unique
2.79, 3.45 A)
&rst
ixpk= 3320, nxpk= 20, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1045,1046,
&end
#
# 0 AMB 20-2:3321 0 AMB 20-1:3321 5.50 (# 3321:20 Double
Ambig)
&rst
ixpk= 3321, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=1054,1701,
igr2=1045,1046,1045,1046,
&end
#
# 138 ARG HN 137 GLN HB+ 5.50 (# 3322:20 Unique
3.21, 4.16 A)
&rst
ixpk= 3322, nxpk= 20, iat=2086, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2073,2074,
&end
#
# 96 TYR HD 44 GLU HB- 5.50 (# 3323:20 Unique
4.35, 6.22 A)
&rst
ixpk= 3323, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1412,1421,
igr2= 586, 587,
&end
#
# 96 TYR HE 44 GLU HB- 5.50 (# 3324:20 Unique
2.19, 4.65 A)
&rst
ixpk= 3324, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1414,1419,
igr2= 586, 587,
&end
#
# 0 AMB 20-2:3325 111 LEU MDX 5.50 (# 3325:20 Single
Ambig)
&rst
ixpk= 3325, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 894,2032,
igr2=1665,1666,1667,1669,1670,1671,
&end
#
# 75 ILE HN 111 LEU MDX 5.50 (# 3326:20 Unique
5.12, 6.76 A)
&rst
ixpk= 3326, nxpk= 20, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2=1665,1666,1667,1669,1670,1671,
&end
#
# 74 ARG HN 111 LEU MDX 5.50 (# 3327:20 Unique
3.99, 5.25 A)
&rst
ixpk= 3327, nxpk= 20, iat=1054, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2=1665,1666,1667,1669,1670,1671,
&end
#
# 0 AMB 20-2:3328 111 LEU MDX 4.50 (# 3328:20 Single
Ambig)
&rst
ixpk= 3328, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4=
7.78,
igr1=1675, 859,2245,
igr2=1665,1666,1667,1669,1670,1671,
&end
#
# 0 AMB 20-2:3329 22 LEU MDX 5.50 (# 3329:20 Single
Ambig)
&rst
ixpk= 3329, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4=
9.40,
igr1= 878,2032, 311,
igr2= 291, 292, 293, 295, 296, 297,
&end
#
# 0 AMB 20-2:3331 0 AMB 20-1:3331 4.50 (# 3331:20 Double
Ambig)
&rst
ixpk= 3331, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4=
8.43,
igr1= 840,1675, 859,
igr2= 830, 831, 832, 834, 835, 836,1107,1108, 869, 870,
&end
#
# 6 LEU HN 5 LEU HG 5.50 (# 3332:20 Unique
3.11, 3.61 A)
&rst
ixpk= 3332, nxpk= 20, iat= 82, 70, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 57 ARG HE 0 AMB 20-1:3333 4.50 (# 3333:20 Single
Ambig)
&rst
ixpk= 3333, nxpk= 20, iat= 810, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr2= 804, 805, 804, 805,
&end
#
# 58 LEU HN 0 AMB 20-1:3334 4.50 (# 3334:20 Single
Ambig)
&rst
ixpk= 3334, nxpk= 20, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr2= 804, 805, 804, 805,
&end
#
# 6 LEU HN 58 LEU MDY 5.50 (# 3335:20 Unique
2.81, 4.98 A)
&rst
ixpk= 3335, nxpk= 20, iat= 82, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 830, 831, 832, 834, 835, 836,
&end
#
# 0 AMB 20-2:3336 0 AMB 20-1:3336 4.50 (# 3336:20 Double
Ambig)
&rst
ixpk= 3336, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4=
8.14,
igr1= 611, 878,
igr2= 91, 92, 93, 95, 96, 97,1501,1502,1503,1505,
1506,1507,
&end
#
# 0 AMB 20-2:3338 59 LEU MDY 5.50 (# 3338:20 Single
Ambig)
&rst
ixpk= 3338, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=2161, 82,
igr2= 849, 850, 851, 853, 854, 855,
&end
#
# 31 LYS HN 31 LYS HG+ 5.50 (# 3342:20 Unique
1.79, 2.96 A)
&rst
ixpk= 3342, nxpk= 20, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 410, 411,
&end
#
# 32 GLY HN 31 LYS HG+ 5.50 (# 3343:20 Unique
4.29, 4.89 A)
&rst
ixpk= 3343, nxpk= 20, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 410, 411,
&end
#
# 6 LEU HN 6 LEU MDY 5.50 (# 3344:20 Unique
4.83, 5.44 A)
&rst
ixpk= 3344, nxpk= 20, iat= 82, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 91, 92, 93, 95, 96, 97,
&end
#
# 37 ILE HN 6 LEU MDY 5.50 (# 3345:20 Unique
4.50, 6.64 A)
&rst
ixpk= 3345, nxpk= 20, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 91, 92, 93, 95, 96, 97,
&end
#
# 47 ILE HN 48 VAL MGY 5.50 (# 3347:20 Unique
4.23, 6.35 A)
&rst
ixpk= 3347, nxpk= 20, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 648, 649, 650, 652, 653, 654,
&end
#
# 126 GLN HN 125 THR MG2 5.50 (# 3348:20 Unique
2.38, 4.40 A)
&rst
ixpk= 3348, nxpk= 20, iat=1893, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=1885,1886,1887,
&end
#
# 116 ASP HN 125 THR MG2 5.50 (# 3349:20 Unique
4.49, 5.55 A)
&rst
ixpk= 3349, nxpk= 20, iat=1732, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=1885,1886,1887,
&end
#
# 128 ILE HN 125 THR MG2 5.50 (# 3350:20 Unique
5.10, 5.64 A)
&rst
ixpk= 3350, nxpk= 20, iat=1924, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=1885,1886,1887,
&end
#
# 140 GLU HN 139 LEU MDY 5.50 (# 3351:20 Unique
4.54, 5.61 A)
&rst
ixpk= 3351, nxpk= 20, iat=2129, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2=2119,2120,2121,2123,2124,2125,
&end
#
# 130 ASP HN 131 ALA MB 5.50 (# 3353:20 Unique
4.64, 5.37 A)
&rst
ixpk= 3353, nxpk= 20, iat=1965, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=1981,1982,1983,
&end
#
# 128 ILE HN 131 ALA MB 5.50 (# 3354:20 Unique
4.82, 5.65 A)
&rst
ixpk= 3354, nxpk= 20, iat=1924, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=1981,1982,1983,
&end
#
# 0 AMB 20-2:3355 131 ALA MB 5.50 (# 3355:20 Single
Ambig)
&rst
ixpk= 3355, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1701,1054,
igr2=1981,1982,1983,
&end
#
# 71 GLY HN 131 ALA MB 5.50 (# 3356:20 Unique
4.56, 5.04 A)
&rst
ixpk= 3356, nxpk= 20, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=1981,1982,1983,
&end
#
# 0 AMB 20-2:3357 109 ILE QG2 4.50 (# 3357:20 Single
Ambig)
&rst
ixpk= 3357, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1= 859,1675,
igr2=1623,1624,1625,
&end
#
# 142 TRP HE1 109 ILE QG2 5.50 (# 3358:20 Unique
3.05, 4.97 A)
&rst
ixpk= 3358, nxpk= 20, iat=2161, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=1623,1624,1625,
&end
#
# 41 SER HN 42 ALA MB 5.50 (# 3359:20 Unique
4.37, 5.04 A)
&rst
ixpk= 3359, nxpk= 20, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2= 562, 563, 564,
&end
#
# 0 AMB 20-2:3360 149 ALA MB 5.50 (# 3360:20 Single
Ambig)
&rst
ixpk= 3360, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=2272,1054,
igr2=2249,2250,2251,
&end
#
# 74 ARG HE 149 ALA MB 5.50 (# 3361:20 Unique
3.61, 4.61 A)
&rst
ixpk= 3361, nxpk= 20, iat=1067, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=2249,2250,2251,
&end
#
# 148 PHE HD 149 ALA MB 5.50 (# 3362:20 Unique
5.07, 7.18 A)
&rst
ixpk= 3362, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=2233,2241,
igr2=2249,2250,2251,
&end
#
# 53 LEU HN 50 ILE QG2 5.50 (# 3364:20 Unique
4.93, 5.65 A)
&rst
ixpk= 3364, nxpk= 20, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2= 674, 675, 676,
&end
#
# 39 GLY HN 23 ALA MB 5.50 (# 3365:20 Unique
5.40, 6.34 A)
&rst
ixpk= 3365, nxpk= 20, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2= 305, 306, 307,
&end
#
# 58 LEU HN 105 ILE QD1 5.50 (# 3366:20 Unique
4.34, 5.34 A)
&rst
ixpk= 3366, nxpk= 20, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=1573,1574,1575,
&end
#
# 106 GLY HN 105 ILE QD1 5.50 (# 3367:20 Unique
5.29, 5.90 A)
&rst
ixpk= 3367, nxpk= 20, iat=1579, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=1573,1574,1575,
&end
#
# 58 LEU HN 109 ILE QD1 5.50 (# 3368:20 Unique
3.20, 4.40 A)
&rst
ixpk= 3368, nxpk= 20, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=1630,1631,1632,
&end
#
# 0 AMB 20-2:3369 109 ILE QD1 5.50 (# 3369:20 Single
Ambig)
&rst
ixpk= 3369, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1601,2197,
igr2=1630,1631,1632,
&end
#
# 148 PHE HD 73 ILE QD1 5.50 (# 3370:20 Unique
3.67, 6.26 A)
&rst
ixpk= 3370, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=2233,2241,
igr2=1048,1049,1050,
&end
#
# 135 VAL HN 73 ILE QD1 4.50 (# 3371:20 Unique
4.45, 5.36 A)
&rst
ixpk= 3371, nxpk= 20, iat=2032, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr2=1048,1049,1050,
&end
#
# 0 AMB 20-2:3372 73 ILE QD1 5.50 (# 3372:20 Single
Ambig)
&rst
ixpk= 3372, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1054,1701,
igr2=1048,1049,1050,
&end
#
# 5 LEU HN 5 LEU MDX 5.50 (# 3373:20 Unique
4.25, 5.37 A)
&rst
ixpk= 3373, nxpk= 20, iat= 63, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 72, 73, 74, 76, 77, 78,
&end
#
# 0 AMB 20-2:3374 75 ILE QG2 5.50 (# 3374:20 Single
Ambig)
&rst
ixpk= 3374, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4=
8.43,
igr1=1656,1675,2245,
igr2=1084,1085,1086,
&end
#
# 0 AMB 20-2:3375 59 LEU HG 5.50 (# 3375:20 Single
Ambig)
&rst
ixpk= 3375, nxpk= 20, iat= -1, 847, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 840,1656,
&end
#
# 19 GLY HN 61 VAL MGX 5.50 (# 3376:20 Unique
3.89, 6.31 A)
&rst
ixpk= 3376, nxpk= 20, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 884, 885, 886, 888, 889, 890,
&end
#
# 4 VAL HN 58 LEU MDY 4.50 (# 3377:20 Unique
4.13, 6.18 A)
&rst
ixpk= 3377, nxpk= 20, iat= 47, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr2= 830, 831, 832, 834, 835, 836,
&end
#
# 0 AMB 20-2:3378 76 ILE HG1- 5.50 (# 3378:20 Single
Ambig)
&rst
ixpk= 3378, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2272,1054,
igr2=1107,1108,
&end
#
# 15 ASP HN 118 VAL MGY 5.50 (# 3379:20 Unique
2.82, 4.56 A)
&rst
ixpk= 3379, nxpk= 20, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2=1769,1770,1771,1773,1774,1775,
&end
#
# 6 LEU HN 5 LEU MDX 5.50 (# 3380:20 Unique
2.13, 4.53 A)
&rst
ixpk= 3380, nxpk= 20, iat= 82, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 72, 73, 74, 76, 77, 78,
&end
#
# 0 AMB 20-2:3381 59 LEU MDX 5.50 (# 3381:20 Single
Ambig)
&rst
ixpk= 3381, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=2117,2036,
igr2= 849, 850, 851, 853, 854, 855,
&end
#
# 61 VAL HB 61 VAL MGY 2.80 (# 3382:20 Unique
2.35, 2.66 A)
&rst
ixpk= 3382, nxpk= 20, iat= 882, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr2= 884, 885, 886, 888, 889, 890,
&end
#
# 0 AMB 20-2:3383 75 ILE QG2 5.50 (# 3383:20 Single
Ambig)
&rst
ixpk= 3383, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=1640,1641,1064,1065,
igr2=1084,1085,1086,
&end
#
# 131 ALA MB 73 ILE HG1- 5.50 (# 3384:20 Unique
2.13, 3.44 A)
&rst
ixpk= 3384, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1981,1982,1983,
igr2=1045,1046,
&end
#
# 0 AMB 20-2:3385 73 ILE HG1- 3.50 (# 3385:20 Single
Ambig)
&rst
ixpk= 3385, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=2038,2039,2040,2042,2043,2044,1048,1049,1050,
igr2=1045,1046,
&end
#
# 31 LYS HE- 31 LYS HD+ 4.50 (# 3386:20 Unique
2.31, 2.72 A)
&rst
ixpk= 3386, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 416, 417,
igr2= 413, 414,
&end
#
# 0 AMB 20-2:3387 22 LEU MDX 2.80 (# 3387:20 Single
Ambig)
&rst
ixpk= 3387, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4=
5.03,
igr1= 289, 330, 331,
igr2= 291, 292, 293, 295, 296, 297,
&end
#
# 61 VAL HB 22 LEU MDX 3.50 (# 3388:20 Unique
2.17, 4.19 A)
&rst
ixpk= 3388, nxpk= 20, iat= 882, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr2= 291, 292, 293, 295, 296, 297,
&end
#
# 26 CYS HB+ 22 LEU MDX 5.50 (# 3389:20 Unique
2.83, 6.21 A)
&rst
ixpk= 3389, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 352, 353,
igr2= 291, 292, 293, 295, 296, 297,
&end
#
# 0 AMB 20-2:3390 25 LYS HD- 5.50 (# 3390:20 Single
Ambig)
&rst
ixpk= 3390, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4=
8.57,
igr1=1991, 315, 316, 315, 316,
igr2= 336, 337,
&end
#
# 28 ALA HN 25 LYS HA 5.50 (# 3391:20 Unique
3.34, 3.39 A)
&rst
ixpk= 3391, nxpk= 20, iat= 369, 328, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 24 GLU HN 20 PRO HA 5.50 (# 3392:20 Unique
3.91, 4.07 A)
&rst
ixpk= 3392, nxpk= 20, iat= 311, 259, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 90 HIS HB+ 89 THR HB 5.50 (# 3393:20 Unique
3.60, 4.82 A)
&rst
ixpk= 3393, nxpk= 20, iat= -1,1299, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1313,1314,
&end
#
# 60 ILE HN 59 LEU MDX 5.50 (# 3395:20 Unique
1.94, 4.29 A)
&rst
ixpk= 3395, nxpk= 20, iat= 859, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 849, 850, 851, 853, 854, 855,
&end
#
# 109 ILE HG1+ 59 LEU MDX 5.50 (# 3396:20 Unique
3.92, 6.63 A)
&rst
ixpk= 3396, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=1627,1628,
igr2= 849, 850, 851, 853, 854, 855,
&end
#
# 139 LEU HA 59 LEU MDX 5.50 (# 3397:20 Unique
4.23, 6.28 A)
&rst
ixpk= 3397, nxpk= 20, iat=2112, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 849, 850, 851, 853, 854, 855,
&end
#
# 0 AMB 20-2:3398 59 LEU MDX 5.50 (# 3398:20 Single
Ambig)
&rst
ixpk= 3398, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=1638,2199,
igr2= 849, 850, 851, 853, 854, 855,
&end
#
# 0 AMB 20-2:3399 59 LEU MDX 5.50 (# 3399:20 Single
Ambig)
&rst
ixpk= 3399, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=2161, 82,
igr2= 849, 850, 851, 853, 854, 855,
&end
#
# 142 TRP HD1 59 LEU MDX 5.50 (# 3401:20 Unique
2.77, 5.56 A)
&rst
ixpk= 3401, nxpk= 20, iat=2159, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 849, 850, 851, 853, 854, 855,
&end
#
# 58 LEU HA 59 LEU MDX 5.50 (# 3402:20 Unique
6.25, 7.21 A)
&rst
ixpk= 3402, nxpk= 20, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 849, 850, 851, 853, 854, 855,
&end
#
# 0 AMB 20-2:3403 0 AMB 20-1:3403 5.50 (# 3403:20 Double
Ambig)
&rst
ixpk= 3403, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4=
9.23,
igr1= 339, 340, 339, 340,
igr2= 333, 334, 333, 334,
&end
#
# 25 LYS HN 25 LYS HG+ 5.50 (# 3404:20 Unique
2.22, 2.87 A)
&rst
ixpk= 3404, nxpk= 20, iat= 326, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 333, 334,
&end
#
# 0 AMB 20-2:3405 0 AMB 20-1:3405 5.50 (# 3405:20 Double
Ambig)
&rst
ixpk= 3405, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1= 348, 359,
igr2= 333, 334, 333, 334,
&end
#
# 0 AMB 20-2:3406 0 AMB 20-1:3406 5.50 (# 3406:20 Double
Ambig)
&rst
ixpk= 3406, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4=
9.23,
igr1= 934, 935, 205, 206,
igr2=1722,1723,1722,1723,
&end
#
# 128 ILE QD1 125 THR HB 5.50 (# 3407:20 Unique
2.19, 4.52 A)
&rst
ixpk= 3407, nxpk= 20, iat= -1,1883, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1937,1938,1939,
&end
#
# 0 AMB 20-2:3409 64 THR HB 5.50 (# 3409:20 Single
Ambig)
&rst
ixpk= 3409, nxpk= 20, iat= -1, 920, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1675, 942,
&end
#
# 76 ILE HN 81 ILE QD1 5.50 (# 3410:20 Unique
4.48, 5.70 A)
&rst
ixpk= 3410, nxpk= 20, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=1179,1180,1181,
&end
#
# 118 VAL HN 117 ILE QG2 5.50 (# 3411:20 Unique
4.59, 5.28 A)
&rst
ixpk= 3411, nxpk= 20, iat=1763, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=1750,1751,1752,
&end
#
# 122 TYR HD 117 ILE QG2 5.50 (# 3412:20 Unique
4.55, 7.67 A)
&rst
ixpk= 3412, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1835,1844,
igr2=1750,1751,1752,
&end
#
# 0 AMB 20-2:3414 2 THR HB 5.50 (# 3414:20 Single
Ambig)
&rst
ixpk= 3414, nxpk= 20, iat= -1, 25, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 37, 799,
&end
#
# 0 AMB 20-2:3415 2 THR HB 5.50 (# 3415:20 Single
Ambig)
&rst
ixpk= 3415, nxpk= 20, iat= -1, 25, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 21, 35,
&end
#
# 145 ASN HD2+ 75 ILE QD1 5.50 (# 3416:20 Unique
4.48, 5.42 A)
&rst
ixpk= 3416, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=2206,2207,
igr2=1091,1092,1093,
&end
#
# 0 AMB 20-2:3418 135 VAL HA 5.50 (# 3418:20 Single
Ambig)
&rst
ixpk= 3418, nxpk= 20, iat= -1,2034, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2096,2097,2229,2230,
&end
#
# 132 VAL HA 135 VAL HA 5.50 (# 3419:20 Unique
5.39, 5.52 A)
&rst
ixpk= 3419, nxpk= 20, iat=1989,2034, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 138 ARG HA 135 VAL HA 5.50 (# 3420:20 Unique
5.06, 5.27 A)
&rst
ixpk= 3420, nxpk= 20, iat=2088,2034, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 20-2:3421 132 VAL HA 5.50 (# 3421:20 Single
Ambig)
&rst
ixpk= 3421, nxpk= 20, iat= -1,1989, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 286, 287, 339, 340, 339, 340,
&end
#
# 0 AMB 20-2:3423 132 VAL HA 5.50 (# 3423:20 Single
Ambig)
&rst
ixpk= 3423, nxpk= 20, iat= -1,1989, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1979,2005,
&end
#
# 51 ARG HA 48 VAL HA 5.50 (# 3424:20 Unique
5.11, 5.24 A)
&rst
ixpk= 3424, nxpk= 20, iat= 689, 644, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 53 LEU HB- 50 ILE HA 5.50 (# 3427:20 Unique
3.08, 4.03 A)
&rst
ixpk= 3427, nxpk= 20, iat= -1, 670, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 730, 731,
&end
#
# 152 ALA HA 153 VAL HA 5.50 (# 3428:20 Unique
4.20, 4.52 A)
&rst
ixpk= 3428, nxpk= 20, iat=2293,2303, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 113 ILE QG2 115 PRO HA 5.50 (# 3429:20 Unique
4.31, 5.40 A)
&rst
ixpk= 3429, nxpk= 20, iat= -1,1728, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1688,1689,1690,
&end
#
# 61 VAL HN 7 CYS HA 5.50 (# 3430:20 Unique
2.89, 3.05 A)
&rst
ixpk= 3430, nxpk= 20, iat= 878, 103, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 7 CYS HN 7 CYS HA 5.50 (# 3431:20 Unique
2.91, 2.93 A)
&rst
ixpk= 3431, nxpk= 20, iat= 101, 103, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 20-2:3432 93 PRO HA 5.50 (# 3432:20 Single
Ambig)
&rst
ixpk= 3432, nxpk= 20, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1408,1409,1408,1409,
&end
#
# 0 AMB 20-2:3433 93 PRO HA 2.80 (# 3433:20 Single
Ambig)
&rst
ixpk= 3433, nxpk= 20, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1=1364,1365,1361,1362,1361,1362,
&end
#
# 63 ALA MB 115 PRO HD+ 5.50 (# 3434:20 Unique
2.34, 4.35 A)
&rst
ixpk= 3434, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 910, 911, 912,
igr2=1719,1720,
&end
#
# 53 LEU HB- 55 PRO HD- 5.50 (# 3435:20 Unique
2.26, 4.13 A)
&rst
ixpk= 3435, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 730, 731,
igr2= 770, 771,
&end
#
# 7 CYS HB+ 19 GLY HA+ 5.50 (# 3437:20 Unique
2.67, 3.76 A)
&rst
ixpk= 3437, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 105, 106,
igr2= 244, 245,
&end
#
# 10 ASN HD2+ 10 ASN HB+ 5.50 (# 3441:20 Unique
2.21, 3.17 A)
&rst
ixpk= 3441, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 144, 145,
igr2= 139, 140,
&end
#
# 148 PHE HA 148 PHE HB- 3.50 (# 3442:20 Unique
2.50, 2.79 A)
&rst
ixpk= 3442, nxpk= 20, iat=2227, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=2229,2230,
&end
#
# 73 ILE QG2 148 PHE HB+ 5.50 (# 3443:20 Unique
2.72, 4.56 A)
&rst
ixpk= 3443, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1041,1042,1043,
igr2=2229,2230,
&end
#
# 73 ILE QG2 148 PHE HB- 5.50 (# 3444:20 Unique
2.72, 4.56 A)
&rst
ixpk= 3444, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1041,1042,1043,
igr2=2229,2230,
&end
#
# 111 LEU MDX 148 PHE HB+ 5.50 (# 3445:20 Unique
2.98, 5.29 A)
&rst
ixpk= 3445, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=1665,1666,1667,1669,1670,1671,
igr2=2229,2230,
&end
#
# 111 LEU MDX 148 PHE HB- 5.50 (# 3446:20 Unique
2.98, 5.29 A)
&rst
ixpk= 3446, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=1665,1666,1667,1669,1670,1671,
igr2=2229,2230,
&end
#
# 75 ILE QD1 148 PHE HB+ 4.50 (# 3447:20 Unique
2.18, 3.39 A)
&rst
ixpk= 3447, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1091,1092,1093,
igr2=2229,2230,
&end
#
# 80 ASP HN 79 ASP HB+ 5.50 (# 3448:20 Unique
3.04, 3.72 A)
&rst
ixpk= 3448, nxpk= 20, iat=1154, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1146,1147,
&end
#
# 118 VAL MGY 118 VAL HA 2.80 (# 3449:20 Unique
2.35, 3.20 A)
&rst
ixpk= 3449, nxpk= 20, iat= -1,1765, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1=1769,1770,1771,1773,1774,1775,
&end
#
# 0 AMB 20-2:3450 118 VAL HA 4.50 (# 3450:20 Single
Ambig)
&rst
ixpk= 3450, nxpk= 20, iat= -1,1765, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 205, 206,1831,1832,
&end
#
# 16 ASP HN 118 VAL HA 5.50 (# 3451:20 Unique
3.49, 3.55 A)
&rst
ixpk= 3451, nxpk= 20, iat= 213,1765, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 117 ILE QD1 118 VAL HA 4.50 (# 3452:20 Unique
2.87, 4.04 A)
&rst
ixpk= 3452, nxpk= 20, iat= -1,1765, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1=1757,1758,1759,
&end
#
# 58 LEU HN 58 LEU HA 5.50 (# 3454:20 Unique
2.97, 2.98 A)
&rst
ixpk= 3454, nxpk= 20, iat= 821, 823, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 20-2:3455 0 AMB 20-1:3455 5.50 (# 3455:20 Double
Ambig)
&rst
ixpk= 3455, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4=
9.23,
igr1= 804, 805, 804, 805,
igr2=1581,1582,1581,1582,
&end
#
# 16 ASP HN 14 GLY HA+ 5.50 (# 3456:20 Unique
3.57, 4.14 A)
&rst
ixpk= 3456, nxpk= 20, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 196, 197,
&end
#
# 16 ASP HN 14 GLY HA- 5.50 (# 3457:20 Unique
3.57, 4.14 A)
&rst
ixpk= 3457, nxpk= 20, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 196, 197,
&end
#
# 0 AMB 20-2:3458 0 AMB 20-1:3458 2.80 (# 3458:20 Double
Ambig)
&rst
ixpk= 3458, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4=
4.46,
igr1=2197, 194,
igr2=2192,2193, 196, 197,
&end
#
# 119 GLY HN 14 GLY HA+ 5.50 (# 3459:20 Unique
2.89, 3.71 A)
&rst
ixpk= 3459, nxpk= 20, iat=1779, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 196, 197,
&end
#
# 119 GLY HN 14 GLY HA- 5.50 (# 3460:20 Unique
2.89, 3.71 A)
&rst
ixpk= 3460, nxpk= 20, iat=1779, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 196, 197,
&end
#
# 141 GLY HN 141 GLY HA- 5.50 (# 3461:20 Unique
2.54, 2.80 A)
&rst
ixpk= 3461, nxpk= 20, iat=2144, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2146,2147,
&end
#
# 142 TRP HN 141 GLY HA+ 5.50 (# 3462:20 Unique
2.87, 3.33 A)
&rst
ixpk= 3462, nxpk= 20, iat=2151, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2146,2147,
&end
#
# 142 TRP HN 141 GLY HA- 5.50 (# 3463:20 Unique
2.87, 3.33 A)
&rst
ixpk= 3463, nxpk= 20, iat=2151, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2146,2147,
&end
#
# 141 GLY HN 141 GLY HA+ 5.50 (# 3464:20 Unique
2.54, 2.80 A)
&rst
ixpk= 3464, nxpk= 20, iat=2144, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2146,2147,
&end
#
# 31 LYS HG- 31 LYS HE+ 3.50 (# 3465:20 Unique
2.32, 3.08 A)
&rst
ixpk= 3465, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 410, 411,
igr2= 416, 417,
&end
#
# 31 LYS HD+ 31 LYS HE+ 3.50 (# 3466:20 Unique
2.31, 2.72 A)
&rst
ixpk= 3466, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 413, 414,
igr2= 416, 417,
&end
#
# 137 GLN HA 31 LYS HE+ 3.50 (# 3467:20 Unique
2.25, 3.75 A)
&rst
ixpk= 3467, nxpk= 20, iat=2071, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2= 416, 417,
&end
#
# 136 TYR HD 31 LYS HE+ 5.50 (# 3469:20 Unique
3.09, 4.56 A)
&rst
ixpk= 3469, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2056,2065,
igr2= 416, 417,
&end
#
# 0 AMB 20-2:3470 0 AMB 20-1:3470 5.50 (# 3470:20 Double
Ambig)
&rst
ixpk= 3470, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4=
9.23,
igr1=2052,2053,2052,2053,
igr2= 339, 340, 339, 340,
&end
#
# 0 AMB 20-2:3471 25 LYS HG- 5.50 (# 3471:20 Single
Ambig)
&rst
ixpk= 3471, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 348, 359,
igr2= 333, 334,
&end
#
# 48 VAL HN 47 ILE HB 3.50 (# 3472:20 Unique
2.60, 2.65 A)
&rst
ixpk= 3472, nxpk= 20, iat= 642, 627, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 150 GLN HN 150 GLN HB- 3.50 (# 3473:20 Unique
2.23, 2.62 A)
&rst
ixpk= 3473, nxpk= 20, iat=2255, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=2259,2260,
&end
#
# 150 GLN HN 150 GLN HB+ 3.50 (# 3474:20 Unique
2.23, 2.62 A)
&rst
ixpk= 3474, nxpk= 20, iat=2255, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=2259,2260,
&end
#
# 0 AMB 20-2:3475 0 AMB 20-1:3475 4.50 (# 3475:20 Double
Ambig)
&rst
ixpk= 3475, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1=1701,2272,
igr2=1705,1706,1705,1706,2259,2260,
&end
#
# 45 ASN HN 42 ALA MB 5.50 (# 3476:20 Unique
3.38, 4.55 A)
&rst
ixpk= 3476, nxpk= 20, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2= 562, 563, 564,
&end
#
# 0 AMB 20-2:3477 109 ILE QG2 5.50 (# 3477:20 Single
Ambig)
&rst
ixpk= 3477, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=2201,2202,2229,2230,
igr2=1623,1624,1625,
&end
#
# 145 ASN HB+ 109 ILE QG2 5.50 (# 3478:20 Unique
3.73, 6.47 A)
&rst
ixpk= 3478, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=2201,2202,
igr2=1623,1624,1625,
&end
#
# 73 ILE QG2 66 MET ME 5.50 (# 3479:20 Unique
5.89, 7.82 A)
&rst
ixpk= 3479, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4=
8.43,
igr1=1041,1042,1043,
igr2= 953, 954, 955,
&end
#
# 2 THR HB 2 THR HA 5.50 (# 3488:20 Unique
3.01, 3.03 A)
&rst
ixpk= 3488, nxpk= 20, iat= 25, 23, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 3 ASP HB+ 2 THR HA 5.50 (# 3489:20 Unique
4.09, 4.93 A)
&rst
ixpk= 3489, nxpk= 20, iat= -1, 23, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 39, 40,
&end
#
# 57 ARG HN 2 THR HB 5.50 (# 3490:20 Unique
4.53, 4.59 A)
&rst
ixpk= 3490, nxpk= 20, iat= 797, 25, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 3 ASP HA 2 THR MG2 4.50 (# 3491:20 Unique
3.98, 5.37 A)
&rst
ixpk= 3491, nxpk= 20, iat= 37, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr2= 27, 28, 29,
&end
#
# 85 PHE HD 88 THR MG2 5.50 (# 3493:20 Unique
3.62, 7.07 A)
&rst
ixpk= 3493, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1235,1243,
igr2=1287,1288,1289,
&end
#
# 53 LEU HN 2 THR MG2 5.50 (# 3494:20 Unique
5.67, 6.67 A)
&rst
ixpk= 3494, nxpk= 20, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2= 27, 28, 29,
&end
#
# 35 VAL HN 2 THR MG2 5.50 (# 3495:20 Unique
3.65, 5.15 A)
&rst
ixpk= 3495, nxpk= 20, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2= 27, 28, 29,
&end
#
# 94 LEU HA 94 LEU HB- 4.50 (# 3496:20 Unique
2.53, 2.85 A)
&rst
ixpk= 3496, nxpk= 20, iat=1373, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1375,1376,
&end
#
# 36 VAL HA 4 VAL MGY 5.50 (# 3497:20 Unique
4.23, 6.37 A)
&rst
ixpk= 3497, nxpk= 20, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 53, 54, 55, 57, 58, 59,
&end
#
# 58 LEU HA 4 VAL MGY 5.50 (# 3498:20 Unique
2.14, 4.96 A)
&rst
ixpk= 3498, nxpk= 20, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 53, 54, 55, 57, 58, 59,
&end
#
# 0 AMB 20-2:3499 4 VAL MGY 5.50 (# 3499:20 Single
Ambig)
&rst
ixpk= 3499, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 797, 726,
igr2= 53, 54, 55, 57, 58, 59,
&end
#
# 4 VAL HN 4 VAL MGX 5.50 (# 3500:20 Unique
2.18, 4.18 A)
&rst
ixpk= 3500, nxpk= 20, iat= 47, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 53, 54, 55, 57, 58, 59,
&end
#
# 5 LEU HN 5 LEU HA 4.50 (# 3501:20 Unique
2.97, 2.98 A)
&rst
ixpk= 3501, nxpk= 20, iat= 63, 65, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 5 LEU HN 5 LEU HB+ 4.50 (# 3502:20 Unique
2.28, 2.84 A)
&rst
ixpk= 3502, nxpk= 20, iat= 63, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 67, 68,
&end
#
# 7 CYS HN 5 LEU MDX 5.50 (# 3505:20 Unique
2.62, 5.35 A)
&rst
ixpk= 3505, nxpk= 20, iat= 101, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 72, 73, 74, 76, 77, 78,
&end
#
# 22 LEU HB+ 5 LEU MDX 5.50 (# 3506:20 Unique
5.16, 6.56 A)
&rst
ixpk= 3506, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 286, 287,
igr2= 72, 73, 74, 76, 77, 78,
&end
#
# 7 CYS HN 5 LEU MDY 5.50 (# 3507:20 Unique
2.62, 5.35 A)
&rst
ixpk= 3507, nxpk= 20, iat= 101, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 72, 73, 74, 76, 77, 78,
&end
#
# 34 TRP HB+ 5 LEU MDY 5.50 (# 3510:20 Unique
3.44, 5.67 A)
&rst
ixpk= 3510, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 450, 451,
igr2= 72, 73, 74, 76, 77, 78,
&end
#
# 0 AMB 20-2:3511 5 LEU MDY 5.50 (# 3511:20 Single
Ambig)
&rst
ixpk= 3511, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4=
9.84,
igr1= 352, 353, 450, 451,
igr2= 72, 73, 74, 76, 77, 78,
&end
#
# 139 LEU HG 5 LEU MDY 5.50 (# 3512:20 Unique
2.53, 4.95 A)
&rst
ixpk= 3512, nxpk= 20, iat=2117, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 72, 73, 74, 76, 77, 78,
&end
#
# 59 LEU MDX 59 LEU HA 5.50 (# 3513:20 Unique
2.32, 4.01 A)
&rst
ixpk= 3513, nxpk= 20, iat= -1, 842, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 849, 850, 851, 853, 854, 855,
&end
#
# 0 AMB 20-2:3514 13 MET HA 5.50 (# 3514:20 Single
Ambig)
&rst
ixpk= 3514, nxpk= 20, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1786, 160,
&end
#
# 109 ILE HN 59 LEU HA 4.50 (# 3515:20 Unique
2.67, 2.79 A)
&rst
ixpk= 3515, nxpk= 20, iat=1617, 842, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 6 LEU HN 6 LEU HA 4.50 (# 3516:20 Unique
2.96, 2.99 A)
&rst
ixpk= 3516, nxpk= 20, iat= 82, 84, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 6 LEU HN 6 LEU HG 5.50 (# 3517:20 Unique
4.22, 4.27 A)
&rst
ixpk= 3517, nxpk= 20, iat= 82, 89, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 113 ILE HN 113 ILE HG1- 5.50 (# 3518:20 Unique
3.04, 3.67 A)
&rst
ixpk= 3518, nxpk= 20, iat=1682, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1692,1693,
&end
#
# 0 AMB 20-2:3519 0 AMB 20-1:3519 4.50 (# 3519:20 Double
Ambig)
&rst
ixpk= 3519, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1056, 84,
igr2=1061,1062, 89,
&end
#
# 0 AMB 20-2:3520 113 ILE HG1- 5.50 (# 3520:20 Single
Ambig)
&rst
ixpk= 3520, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1677,1678, 908,
igr2=1692,1693,
&end
#
# 58 LEU HA 58 LEU HG 5.50 (# 3521:20 Unique
3.17, 3.30 A)
&rst
ixpk= 3521, nxpk= 20, iat= 823, 828, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 6 LEU HN 6 LEU MDX 5.50 (# 3522:20 Unique
4.83, 5.44 A)
&rst
ixpk= 3522, nxpk= 20, iat= 82, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 91, 92, 93, 95, 96, 97,
&end
#
# 59 LEU HN 6 LEU MDX 5.50 (# 3523:20 Unique
6.45, 7.87 A)
&rst
ixpk= 3523, nxpk= 20, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 91, 92, 93, 95, 96, 97,
&end
#
# 0 AMB 20-2:3524 6 LEU MDX 5.50 (# 3524:20 Single
Ambig)
&rst
ixpk= 3524, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 101, 521,
igr2= 91, 92, 93, 95, 96, 97,
&end
#
# 5 LEU MDY 135 VAL MGX 4.50 (# 3525:20 Unique
4.04, 7.48 A)
&rst
ixpk= 3525, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4=
8.68,
igr1= 72, 73, 74, 76, 77, 78,
igr2=2038,2039,2040,2042,2043,2044,
&end
#
# 7 CYS HB- 7 CYS HA 4.50 (# 3527:20 Unique
2.23, 2.74 A)
&rst
ixpk= 3527, nxpk= 20, iat= -1, 103, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 105, 106,
&end
#
# 61 VAL HB 7 CYS HA 4.50 (# 3528:20 Unique
2.96, 3.14 A)
&rst
ixpk= 3528, nxpk= 20, iat= 882, 103, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 22 LEU HG 7 CYS HA 5.50 (# 3529:20 Unique
4.03, 4.22 A)
&rst
ixpk= 3529, nxpk= 20, iat= 289, 103, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 8 VAL MGX 7 CYS HA 3.50 (# 3530:20 Unique
3.57, 5.61 A)
&rst
ixpk= 3530, nxpk= 20, iat= -1, 103, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 118, 119, 120, 122, 123, 124,
&end
#
# 8 VAL HN 7 CYS HB+ 5.50 (# 3531:20 Unique
3.12, 3.67 A)
&rst
ixpk= 3531, nxpk= 20, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 105, 106,
&end
#
# 6 LEU HA 7 CYS HB- 5.50 (# 3532:20 Unique
4.28, 5.12 A)
&rst
ixpk= 3532, nxpk= 20, iat= 84, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 105, 106,
&end
#
# 154 GLU HN 153 VAL HB 4.50 (# 3533:20 Unique
3.00, 4.41 A)
&rst
ixpk= 3533, nxpk= 20, iat=2317,2305, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 5 LEU MDY 36 VAL MGX 5.50 (# 3534:20 Unique
2.30, 5.75 A)
&rst
ixpk= 3534, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99,
r4=10.49,
igr1= 72, 73, 74, 76, 77, 78,
igr2= 492, 493, 494, 496, 497, 498,
&end
#
# 7 CYS HN 8 VAL MGX 5.50 (# 3536:20 Unique
4.42, 6.50 A)
&rst
ixpk= 3536, nxpk= 20, iat= 101, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 118, 119, 120, 122, 123, 124,
&end
#
# 39 GLY HN 8 VAL MGX 5.50 (# 3537:20 Unique
3.18, 5.27 A)
&rst
ixpk= 3537, nxpk= 20, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 118, 119, 120, 122, 123, 124,
&end
#
# 8 VAL MGY 9 GLY HA- 4.50 (# 3539:20 Unique
3.20, 5.76 A)
&rst
ixpk= 3539, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1= 118, 119, 120, 122, 123, 124,
igr2= 130, 131,
&end
#
# 10 ASN HD2+ 10 ASN HB- 4.50 (# 3540:20 Unique
2.21, 3.17 A)
&rst
ixpk= 3540, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 144, 145,
igr2= 139, 140,
&end
#
# 11 SER HN 10 ASN HB+ 5.50 (# 3541:20 Unique
4.39, 4.45 A)
&rst
ixpk= 3541, nxpk= 20, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 139, 140,
&end
#
# 11 SER HN 10 ASN HB- 5.50 (# 3542:20 Unique
4.39, 4.45 A)
&rst
ixpk= 3542, nxpk= 20, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 139, 140,
&end
#
# 13 MET HB+ 10 ASN HB- 4.50 (# 3543:20 Unique
2.33, 3.42 A)
&rst
ixpk= 3543, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 181, 182,
igr2= 139, 140,
&end
#
# 10 ASN HB+ 11 SER HA 5.50 (# 3544:20 Unique
5.54, 5.95 A)
&rst
ixpk= 3544, nxpk= 20, iat= -1, 151, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 139, 140,
&end
#
# 21 LEU HB+ 11 SER HB+ 5.50 (# 3545:20 Unique
5.56, 7.29 A)
&rst
ixpk= 3545, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 267, 268,
igr2= 153, 154,
&end
#
# 0 AMB 20-2:3546 11 SER HB- 5.50 (# 3546:20 Single
Ambig)
&rst
ixpk= 3546, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1= 164, 165, 253, 254,
igr2= 153, 154,
&end
#
# 20 PRO HB+ 11 SER HB+ 5.50 (# 3547:20 Unique
2.77, 3.69 A)
&rst
ixpk= 3547, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 256, 257,
igr2= 153, 154,
&end
#
# 20 PRO HD+ 11 SER HB+ 5.50 (# 3548:20 Unique
5.24, 6.42 A)
&rst
ixpk= 3548, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 250, 251,
igr2= 153, 154,
&end
#
# 45 ASN HD2- 45 ASN HA 5.50 (# 3549:20 Unique
3.43, 4.52 A)
&rst
ixpk= 3549, nxpk= 20, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 606, 607,
&end
#
# 37 ILE HN 36 VAL HB 5.50 (# 3550:20 Unique
3.79, 4.14 A)
&rst
ixpk= 3550, nxpk= 20, iat= 502, 490, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 71 GLY HN 70 PRO HB+ 5.50 (# 3551:20 Unique
3.07, 3.50 A)
&rst
ixpk= 3551, nxpk= 20, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1006,1007,
&end
#
# 93 PRO HD+ 93 PRO HB+ 4.50 (# 3552:20 Unique
2.75, 3.66 A)
&rst
ixpk= 3552, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1358,1359,
igr2=1364,1365,
&end
#
# 123 PRO HD- 123 PRO HB+ 4.50 (# 3553:20 Unique
2.94, 3.72 A)
&rst
ixpk= 3553, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1849,1850,
igr2=1855,1856,
&end
#
# 76 ILE QG2 84 MET HG- 4.50 (# 3555:20 Unique
2.86, 4.32 A)
&rst
ixpk= 3555, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1103,1104,1105,
igr2=1217,1218,
&end
#
# 77 ASP HA 78 PRO HB+ 5.50 (# 3556:20 Unique
5.06, 5.44 A)
&rst
ixpk= 3556, nxpk= 20, iat=1118, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1135,1136,
&end
#
# 57 ARG HN 55 PRO HB+ 5.50 (# 3557:20 Unique
2.84, 3.12 A)
&rst
ixpk= 3557, nxpk= 20, iat= 797, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 776, 777,
&end
#
# 10 ASN HB+ 13 MET HB+ 5.50 (# 3558:20 Unique
2.33, 3.42 A)
&rst
ixpk= 3558, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 139, 140,
igr2= 181, 182,
&end
#
# 135 VAL HA 135 VAL HB 3.50 (# 3559:20 Unique
2.27, 2.73 A)
&rst
ixpk= 3559, nxpk= 20, iat=2034,2036, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 135 VAL HA 0 AMB 20-1:3560 3.50 (# 3560:20 Single
Ambig)
&rst
ixpk= 3560, nxpk= 20, iat=2034, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr2=2090,2091,2090,2091,
&end
#
# 0 AMB 20-2:3561 0 AMB 20-1:3561 5.50 (# 3561:20 Double
Ambig)
&rst
ixpk= 3561, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4=
9.23,
igr1=2096,2097,2096,2097,
igr2=2090,2091,2090,2091,
&end
#
# 12 MET HN 12 MET HB- 3.50 (# 3562:20 Unique
2.97, 3.35 A)
&rst
ixpk= 3562, nxpk= 20, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2= 164, 165,
&end
#
# 58 LEU HN 107 GLU HB+ 5.50 (# 3564:20 Unique
3.71, 4.62 A)
&rst
ixpk= 3564, nxpk= 20, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1590,1591,
&end
#
# 11 SER HB- 20 PRO HB+ 5.50 (# 3565:20 Unique
2.77, 3.69 A)
&rst
ixpk= 3565, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 153, 154,
igr2= 256, 257,
&end
#
# 19 GLY HA+ 20 PRO HB+ 5.50 (# 3566:20 Unique
5.39, 6.01 A)
&rst
ixpk= 3566, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 244, 245,
igr2= 256, 257,
&end
#
# 0 AMB 20-2:3567 13 MET HB- 4.50 (# 3567:20 Single
Ambig)
&rst
ixpk= 3567, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1788, 215,
igr2= 181, 182,
&end
#
# 20 PRO HD- 20 PRO HB- 5.50 (# 3568:20 Unique
2.90, 3.69 A)
&rst
ixpk= 3568, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 250, 251,
igr2= 256, 257,
&end
#
# 20 PRO HD+ 20 PRO HB- 4.50 (# 3569:20 Unique
2.90, 3.69 A)
&rst
ixpk= 3569, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 250, 251,
igr2= 256, 257,
&end
#
# 0 AMB 20-2:3570 20 PRO HB- 5.50 (# 3570:20 Single
Ambig)
&rst
ixpk= 3570, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1= 227, 228, 227, 228,
igr2= 256, 257,
&end
#
# 0 AMB 20-2:3571 0 AMB 20-1:3571 5.50 (# 3571:20 Double
Ambig)
&rst
ixpk= 3571, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4=
9.23,
igr1= 144, 145,1905,1906,
igr2= 181, 182,1947,1948,
&end
#
# 84 MET HA 84 MET HG- 3.50 (# 3572:20 Unique
2.75, 3.28 A)
&rst
ixpk= 3572, nxpk= 20, iat=1212, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1217,1218,
&end
#
# 66 MET HA 66 MET HB- 4.50 (# 3573:20 Unique
2.46, 2.77 A)
&rst
ixpk= 3573, nxpk= 20, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 946, 947,
&end
#
# 66 MET HG+ 66 MET HB- 4.50 (# 3574:20 Unique
2.25, 2.76 A)
&rst
ixpk= 3574, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 949, 950,
igr2= 946, 947,
&end
#
# 0 AMB 20-2:3575 74 ARG HB- 4.50 (# 3575:20 Single
Ambig)
&rst
ixpk= 3575, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=2281,2282,2283,2285,2286,2287,1107,1108, 975, 976,
977, 979, 980, 981, 975, 976, 977, 979, 980, 981,
igr2=1058,1059,
&end
#
# 0 AMB 20-2:3576 0 AMB 20-1:3576 5.50 (# 3576:20 Double
Ambig)
&rst
ixpk= 3576, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4=
9.40,
igr1=2257,1037,1080,
igr2=1058,1059,1058,1059,1058,1059,
&end
#
# 73 ILE QG2 148 PHE HA 5.50 (# 3577:20 Unique
4.51, 5.69 A)
&rst
ixpk= 3577, nxpk= 20, iat= -1,2227, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1041,1042,1043,
&end
#
# 125 THR HN 15 ASP HA 5.50 (# 3578:20 Unique
3.39, 3.57 A)
&rst
ixpk= 3578, nxpk= 20, iat=1879, 203, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 20-2:3579 148 PHE HA 4.50 (# 3579:20 Single
Ambig)
&rst
ixpk= 3579, nxpk= 20, iat= -1,2227, r1= 1.30, r2= 1.80, r3= 5.88, r4=
6.38,
igr1=2249,2250,2251,1088,1089,
&end
#
# 75 ILE HN 148 PHE HA 5.50 (# 3580:20 Unique
5.41, 5.49 A)
&rst
ixpk= 3580, nxpk= 20, iat=1078,2227, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 20-2:3581 0 AMB 20-1:3581 5.50 (# 3581:20 Double
Ambig)
&rst
ixpk= 3581, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=1166, 623,
igr2=1158,1159, 615, 616,
&end
#
# 128 ILE HA 15 ASP HB+ 5.50 (# 3582:20 Unique
5.47, 6.37 A)
&rst
ixpk= 3582, nxpk= 20, iat=1926, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 205, 206,
&end
#
# 126 GLN HA 129 LYS HE- 5.50 (# 3583:20 Unique
5.09, 5.54 A)
&rst
ixpk= 3583, nxpk= 20, iat=1895, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1956,1957,
&end
#
# 126 GLN HA 129 LYS HE+ 5.50 (# 3584:20 Unique
5.09, 5.54 A)
&rst
ixpk= 3584, nxpk= 20, iat=1895, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1956,1957,
&end
#
# 129 LYS HA 129 LYS HE+ 5.50 (# 3585:20 Unique
4.15, 4.55 A)
&rst
ixpk= 3585, nxpk= 20, iat=1945, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1956,1957,
&end
#
# 79 ASP HN 80 ASP HB+ 5.50 (# 3586:20 Unique
4.72, 4.89 A)
&rst
ixpk= 3586, nxpk= 20, iat=1142, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1158,1159,
&end
#
# 16 ASP HA 16 ASP HB+ 3.50 (# 3587:20 Unique
2.45, 2.78 A)
&rst
ixpk= 3587, nxpk= 20, iat= 215, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2= 217, 218,
&end
#
# 10 ASN HN 16 ASP HB- 5.50 (# 3588:20 Unique
2.98, 3.96 A)
&rst
ixpk= 3588, nxpk= 20, iat= 135, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 217, 218,
&end
#
# 63 ALA HA 18 ALA MB 5.50 (# 3589:20 Unique
3.62, 3.92 A)
&rst
ixpk= 3589, nxpk= 20, iat= 908, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2= 236, 237, 238,
&end
#
# 0 AMB 20-2:3590 18 ALA MB 5.50 (# 3590:20 Single
Ambig)
&rst
ixpk= 3590, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 282, 263, 135, 301,
igr2= 236, 237, 238,
&end
#
# 62 ASP HN 18 ALA MB 5.50 (# 3591:20 Unique
4.34, 5.06 A)
&rst
ixpk= 3591, nxpk= 20, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2= 236, 237, 238,
&end
#
# 62 ASP HA 18 ALA MB 5.50 (# 3593:20 Unique
2.27, 3.38 A)
&rst
ixpk= 3593, nxpk= 20, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2= 236, 237, 238,
&end
#
# 0 AMB 20-2:3594 18 ALA MB 5.50 (# 3594:20 Single
Ambig)
&rst
ixpk= 3594, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 130, 131,1728,1684,
igr2= 236, 237, 238,
&end
#
# 19 GLY HA+ 18 ALA MB 5.50 (# 3595:20 Unique
4.37, 5.05 A)
&rst
ixpk= 3595, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 244, 245,
igr2= 236, 237, 238,
&end
#
# 82 ALA HA 82 ALA MB 2.80 (# 3596:20 Unique
2.48, 2.68 A)
&rst
ixpk= 3596, nxpk= 20, iat=1187, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr2=1189,1190,1191,
&end
#
# 112 GLY HA- 18 ALA MB 5.50 (# 3597:20 Unique
6.12, 7.30 A)
&rst
ixpk= 3597, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1677,1678,
igr2= 236, 237, 238,
&end
#
# 0 AMB 20-2:3598 18 ALA MB 5.50 (# 3598:20 Single
Ambig)
&rst
ixpk= 3598, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4=
9.40,
igr1= 205, 206,1869,1870, 217, 218,
igr2= 236, 237, 238,
&end
#
# 22 LEU MDY 19 GLY HA- 5.50 (# 3599:20 Unique
2.42, 5.56 A)
&rst
ixpk= 3599, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 291, 292, 293, 295, 296, 297,
igr2= 244, 245,
&end
#
# 0 AMB 20-2:3600 20 PRO HA 5.50 (# 3600:20 Single
Ambig)
&rst
ixpk= 3600, nxpk= 20, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 525, 526, 315, 316, 315, 316,
&end
#
# 20 PRO HD+ 20 PRO HA 5.50 (# 3601:20 Unique
3.35, 3.61 A)
&rst
ixpk= 3601, nxpk= 20, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 250, 251,
&end
#
# 38 ASP HA 20 PRO HA 5.50 (# 3603:20 Unique
5.22, 5.40 A)
&rst
ixpk= 3603, nxpk= 20, iat= 523, 259, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 20-2:3604 20 PRO HB- 5.50 (# 3604:20 Single
Ambig)
&rst
ixpk= 3604, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 149, 242,
igr2= 256, 257,
&end
#
# 21 LEU HN 20 PRO HB- 4.50 (# 3605:20 Unique
2.59, 3.33 A)
&rst
ixpk= 3605, nxpk= 20, iat= 263, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 256, 257,
&end
#
# 20 PRO HD+ 20 PRO HB+ 5.50 (# 3607:20 Unique
2.90, 3.69 A)
&rst
ixpk= 3607, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 250, 251,
igr2= 256, 257,
&end
#
# 55 PRO HA 55 PRO HG- 4.50 (# 3608:20 Unique
2.89, 3.47 A)
&rst
ixpk= 3608, nxpk= 20, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 773, 774,
&end
#
# 142 TRP HD1 138 ARG HG- 5.50 (# 3609:20 Unique
3.46, 5.56 A)
&rst
ixpk= 3609, nxpk= 20, iat=2159, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2093,2094,
&end
#
# 142 TRP HD1 138 ARG HG+ 5.50 (# 3610:20 Unique
3.46, 5.56 A)
&rst
ixpk= 3610, nxpk= 20, iat=2159, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2093,2094,
&end
#
# 138 ARG HE 138 ARG HG- 5.50 (# 3611:20 Unique
2.23, 3.02 A)
&rst
ixpk= 3611, nxpk= 20, iat=2099, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2093,2094,
&end
#
# 138 ARG HE 138 ARG HG+ 5.50 (# 3612:20 Unique
2.23, 3.02 A)
&rst
ixpk= 3612, nxpk= 20, iat=2099, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2093,2094,
&end
#
# 142 TRP HN 138 ARG HG- 4.50 (# 3613:20 Unique
3.49, 4.58 A)
&rst
ixpk= 3613, nxpk= 20, iat=2151, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=2093,2094,
&end
#
# 142 TRP HN 138 ARG HG+ 4.50 (# 3614:20 Unique
3.49, 4.58 A)
&rst
ixpk= 3614, nxpk= 20, iat=2151, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=2093,2094,
&end
#
# 53 LEU HN 53 LEU HG 3.50 (# 3615:20 Unique
2.49, 2.72 A)
&rst
ixpk= 3615, nxpk= 20, iat= 726, 733, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 148 PHE HD 138 ARG HG- 5.50 (# 3616:20 Unique
2.91, 5.57 A)
&rst
ixpk= 3616, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2233,2241,
igr2=2093,2094,
&end
#
# 0 AMB 20-2:3617 0 AMB 20-1:3617 4.50 (# 3617:20 Double
Ambig)
&rst
ixpk= 3617, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4=
7.78,
igr1=2233,2241, 726,
igr2=2093,2094, 752, 753, 752, 753,
&end
#
# 138 ARG HN 138 ARG HG- 4.50 (# 3618:20 Unique
4.42, 4.66 A)
&rst
ixpk= 3618, nxpk= 20, iat=2086, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=2093,2094,
&end
#
# 20 PRO HD- 20 PRO HG+ 3.50 (# 3620:20 Unique
2.29, 2.59 A)
&rst
ixpk= 3620, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 250, 251,
igr2= 253, 254,
&end
#
# 17 GLY HN 20 PRO HD+ 5.50 (# 3621:20 Unique
5.21, 6.11 A)
&rst
ixpk= 3621, nxpk= 20, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 250, 251,
&end
#
# 0 AMB 20-2:3622 0 AMB 20-1:3622 2.80 (# 3622:20 Double
Ambig)
&rst
ixpk= 3622, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4=
4.94,
igr1= 227, 228, 227, 228,
igr2= 250, 251, 250, 251,
&end
#
# 0 AMB 20-2:3623 0 AMB 20-1:3623 5.50 (# 3623:20 Double
Ambig)
&rst
ixpk= 3623, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99,
r4=10.49,
igr1= 256, 257, 339, 340, 339, 340,
igr2= 267, 268, 267, 268, 267, 268,
&end
#
# 0 AMB 20-2:3624 21 LEU HG 4.50 (# 3624:20 Single
Ambig)
&rst
ixpk= 3624, nxpk= 20, iat= -1, 270, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1= 282, 263, 301,
&end
#
# 118 VAL HN 117 ILE HG1+ 5.50 (# 3625:20 Unique
3.94, 4.94 A)
&rst
ixpk= 3625, nxpk= 20, iat=1763, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1754,1755,
&end
#
# 122 TYR HE 117 ILE HG1+ 5.50 (# 3627:20 Unique
4.93, 7.77 A)
&rst
ixpk= 3627, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1837,1842,
igr2=1754,1755,
&end
#
# 122 TYR HD 117 ILE HG1+ 5.50 (# 3628:20 Unique
2.94, 6.26 A)
&rst
ixpk= 3628, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1835,1844,
igr2=1754,1755,
&end
#
# 128 ILE HN 129 LYS HG+ 5.50 (# 3629:20 Unique
4.42, 5.66 A)
&rst
ixpk= 3629, nxpk= 20, iat=1924, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1950,1951,
&end
#
# 36 VAL HA 37 ILE HG1+ 4.50 (# 3630:20 Unique
3.87, 4.61 A)
&rst
ixpk= 3630, nxpk= 20, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 512, 513,
&end
#
# 117 ILE HN 117 ILE HG1- 4.50 (# 3631:20 Unique
2.18, 3.25 A)
&rst
ixpk= 3631, nxpk= 20, iat=1744, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1754,1755,
&end
#
# 75 ILE HN 75 ILE HG1- 4.50 (# 3632:20 Unique
2.25, 3.10 A)
&rst
ixpk= 3632, nxpk= 20, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1088,1089,
&end
#
# 75 ILE HN 75 ILE HG1+ 4.50 (# 3633:20 Unique
2.25, 3.10 A)
&rst
ixpk= 3633, nxpk= 20, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1088,1089,
&end
#
# 152 ALA HN 151 LEU HG 4.50 (# 3634:20 Unique
2.52, 3.19 A)
&rst
ixpk= 3634, nxpk= 20, iat=2291,2279, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 20-2:3635 22 LEU HG 4.50 (# 3635:20 Single
Ambig)
&rst
ixpk= 3635, nxpk= 20, iat= -1, 289, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 301, 282,
&end
#
# 94 LEU HN 94 LEU HG 4.50 (# 3636:20 Unique
2.28, 2.92 A)
&rst
ixpk= 3636, nxpk= 20, iat=1371,1378, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 113 ILE HA 113 ILE HG1+ 5.50 (# 3637:20 Unique
2.55, 2.71 A)
&rst
ixpk= 3637, nxpk= 20, iat=1684, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1692,1693,
&end
#
# 139 LEU HA 139 LEU MDX 5.50 (# 3638:20 Unique
2.34, 3.43 A)
&rst
ixpk= 3638, nxpk= 20, iat=2112, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2=2119,2120,2121,2123,2124,2125,
&end
#
# 59 LEU HA 59 LEU HG 4.50 (# 3639:20 Unique
2.38, 3.10 A)
&rst
ixpk= 3639, nxpk= 20, iat= 842, 847, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 116 ASP HB+ 117 ILE HG1+ 5.50 (# 3640:20 Unique
3.65, 5.68 A)
&rst
ixpk= 3640, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1736,1737,
igr2=1754,1755,
&end
#
# 129 LYS HE- 21 LEU MDX 5.50 (# 3641:20 Unique
2.77, 4.48 A)
&rst
ixpk= 3641, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=1956,1957,
igr2= 272, 273, 274, 276, 277, 278,
&end
#
# 21 LEU HA 21 LEU MDX 3.50 (# 3644:20 Unique
2.30, 3.86 A)
&rst
ixpk= 3644, nxpk= 20, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr2= 272, 273, 274, 276, 277, 278,
&end
#
# 0 AMB 20-2:3646 21 LEU MDX 5.50 (# 3646:20 Single
Ambig)
&rst
ixpk= 3646, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=2003,1943,
igr2= 272, 273, 274, 276, 277, 278,
&end
#
# 132 VAL HN 21 LEU MDX 5.50 (# 3647:20 Unique
4.13, 6.18 A)
&rst
ixpk= 3647, nxpk= 20, iat=1987, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 272, 273, 274, 276, 277, 278,
&end
#
# 24 GLU HN 21 LEU MDX 5.50 (# 3648:20 Unique
4.53, 6.66 A)
&rst
ixpk= 3648, nxpk= 20, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 272, 273, 274, 276, 277, 278,
&end
#
# 130 ASP HN 21 LEU MDX 5.50 (# 3649:20 Unique
5.44, 7.34 A)
&rst
ixpk= 3649, nxpk= 20, iat=1965, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 272, 273, 274, 276, 277, 278,
&end
#
# 22 LEU HA 21 LEU MDY 4.50 (# 3651:20 Unique
3.66, 5.62 A)
&rst
ixpk= 3651, nxpk= 20, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr2= 272, 273, 274, 276, 277, 278,
&end
#
# 0 AMB 20-2:3652 0 AMB 20-1:3652 3.50 (# 3652:20 Double
Ambig)
&rst
ixpk= 3652, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1=1168,1640,1641,
igr2=1176,1177,1176,1177,
&end
#
# 22 LEU HN 22 LEU HB+ 3.50 (# 3653:20 Unique
2.00, 2.68 A)
&rst
ixpk= 3653, nxpk= 20, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2= 286, 287,
&end
#
# 81 ILE QD1 110 PHE HB- 4.50 (# 3654:20 Unique
2.22, 2.94 A)
&rst
ixpk= 3654, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1179,1180,1181,
igr2=1640,1641,
&end
#
# 151 LEU HA 151 LEU HG 4.50 (# 3656:20 Unique
3.11, 3.31 A)
&rst
ixpk= 3656, nxpk= 20, iat=2274,2279, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 7 CYS HA 22 LEU MDX 5.50 (# 3657:20 Unique
3.77, 5.50 A)
&rst
ixpk= 3657, nxpk= 20, iat= 103, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 291, 292, 293, 295, 296, 297,
&end
#
# 133 GLU HA 22 LEU MDX 5.50 (# 3658:20 Unique
5.51, 7.13 A)
&rst
ixpk= 3658, nxpk= 20, iat=2005, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 291, 292, 293, 295, 296, 297,
&end
#
# 136 TYR HA 22 LEU MDX 5.50 (# 3659:20 Unique
2.35, 4.27 A)
&rst
ixpk= 3659, nxpk= 20, iat=2050, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 291, 292, 293, 295, 296, 297,
&end
#
# 19 GLY HA- 22 LEU MDX 4.50 (# 3660:20 Unique
2.42, 5.56 A)
&rst
ixpk= 3660, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1= 244, 245,
igr2= 291, 292, 293, 295, 296, 297,
&end
#
# 136 TYR HB+ 22 LEU MDX 5.50 (# 3661:20 Unique
2.31, 4.92 A)
&rst
ixpk= 3661, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=2052,2053,
igr2= 291, 292, 293, 295, 296, 297,
&end
#
# 139 LEU MDY 22 LEU MDX 4.50 (# 3662:20 Unique
2.88, 5.65 A)
&rst
ixpk= 3662, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4=
8.68,
igr1=2119,2120,2121,2123,2124,2125,
igr2= 291, 292, 293, 295, 296, 297,
&end
#
# 59 LEU MDX 22 LEU MDX 5.50 (# 3663:20 Unique
4.13, 7.48 A)
&rst
ixpk= 3663, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99,
r4=10.49,
igr1= 849, 850, 851, 853, 854, 855,
igr2= 291, 292, 293, 295, 296, 297,
&end
#
# 139 LEU MDY 22 LEU MDY 5.50 (# 3664:20 Unique
2.88, 5.65 A)
&rst
ixpk= 3664, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99,
r4=10.49,
igr1=2119,2120,2121,2123,2124,2125,
igr2= 291, 292, 293, 295, 296, 297,
&end
#
# 5 LEU MDX 22 LEU MDY 3.50 (# 3665:20 Unique
2.17, 4.49 A)
&rst
ixpk= 3665, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1= 72, 73, 74, 76, 77, 78,
igr2= 291, 292, 293, 295, 296, 297,
&end
#
# 19 GLY HA+ 22 LEU MDY 3.50 (# 3666:20 Unique
2.42, 5.56 A)
&rst
ixpk= 3666, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1= 244, 245,
igr2= 291, 292, 293, 295, 296, 297,
&end
#
# 152 ALA HN 151 LEU MDY 3.50 (# 3667:20 Unique
1.80, 4.08 A)
&rst
ixpk= 3667, nxpk= 20, iat=2291, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr2=2281,2282,2283,2285,2286,2287,
&end
#
# 0 AMB 20-2:3668 22 LEU MDY 4.50 (# 3668:20 Single
Ambig)
&rst
ixpk= 3668, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4=
7.78,
igr1= 326,2069,2018,
igr2= 291, 292, 293, 295, 296, 297,
&end
#
# 0 AMB 20-2:3670 23 ALA HA 5.50 (# 3670:20 Single
Ambig)
&rst
ixpk= 3670, nxpk= 20, iat= -1, 303, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 525, 526, 315, 316, 315, 316,
&end
#
# 0 AMB 20-2:3671 62 ASP HA 5.50 (# 3671:20 Single
Ambig)
&rst
ixpk= 3671, nxpk= 20, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 7.93, r4=
8.43,
igr1= 118, 119, 120, 122, 123, 124,1930,1931,1932,
&end
#
# 95 ASN HD2+ 82 ALA MB 5.50 (# 3673:20 Unique
3.17, 4.56 A)
&rst
ixpk= 3673, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1399,1400,
igr2=1189,1190,1191,
&end
#
# 24 GLU HN 24 GLU HA 3.50 (# 3674:20 Unique
2.80, 2.82 A)
&rst
ixpk= 3674, nxpk= 20, iat= 311, 313, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 105 ILE HN 102 LYS HA 4.50 (# 3675:20 Unique
3.41, 3.60 A)
&rst
ixpk= 3675, nxpk= 20, iat=1560,1513, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 20-2:3676 0 AMB 20-1:3676 4.50 (# 3676:20 Double
Ambig)
&rst
ixpk= 3676, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1= 301, 282,
igr2= 315, 316, 315, 316, 315, 316,
&end
#
# 0 AMB 20-2:3677 0 AMB 20-1:3677 4.50 (# 3677:20 Double
Ambig)
&rst
ixpk= 3677, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4=
8.14,
igr1= 328, 284, 303,
igr2= 315, 316, 315, 316, 315, 316, 315, 316,
&end
#
# 108 VAL HN 107 GLU HG- 5.50 (# 3678:20 Unique
2.59, 3.41 A)
&rst
ixpk= 3678, nxpk= 20, iat=1601, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1593,1594,
&end
#
# 104 ASP HN 103 GLU HG+ 5.50 (# 3679:20 Unique
2.54, 4.05 A)
&rst
ixpk= 3679, nxpk= 20, iat=1548, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1540,1541,
&end
#
# 53 LEU HN 52 GLU HG- 5.50 (# 3680:20 Unique
2.66, 4.96 A)
&rst
ixpk= 3680, nxpk= 20, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 718, 719,
&end
#
# 0 AMB 20-2:3681 25 LYS HA 5.50 (# 3681:20 Single
Ambig)
&rst
ixpk= 3681, nxpk= 20, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 339, 340, 339, 340, 286, 287,
&end
#
# 136 TYR HD 25 LYS HB+ 5.50 (# 3684:20 Unique
2.82, 3.76 A)
&rst
ixpk= 3684, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2056,2065,
igr2= 330, 331,
&end
#
# 26 CYS HN 25 LYS HB+ 5.50 (# 3685:20 Unique
2.49, 3.09 A)
&rst
ixpk= 3685, nxpk= 20, iat= 348, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 330, 331,
&end
#
# 25 LYS HN 25 LYS HB+ 4.50 (# 3686:20 Unique
2.48, 3.08 A)
&rst
ixpk= 3686, nxpk= 20, iat= 326, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 330, 331,
&end
#
# 0 AMB 20-2:3687 0 AMB 20-1:3687 5.50 (# 3687:20 Double
Ambig)
&rst
ixpk= 3687, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99,
r4=10.49,
igr1= 339, 340, 339, 340, 416, 417,
igr2= 330, 331, 330, 331, 330, 331,
&end
#
# 136 TYR HB- 25 LYS HB+ 5.50 (# 3688:20 Unique
2.80, 3.95 A)
&rst
ixpk= 3688, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2052,2053,
igr2= 330, 331,
&end
#
# 0 AMB 20-2:3689 0 AMB 20-1:3689 5.50 (# 3689:20 Double
Ambig)
&rst
ixpk= 3689, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4=
9.23,
igr1= 315, 316, 315, 316,
igr2= 333, 334, 333, 334,
&end
#
# 25 LYS HB+ 25 LYS HD+ 4.50 (# 3690:20 Unique
2.30, 2.79 A)
&rst
ixpk= 3690, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 330, 331,
igr2= 336, 337,
&end
#
# 136 TYR HB+ 25 LYS HD+ 5.50 (# 3691:20 Unique
2.42, 3.28 A)
&rst
ixpk= 3691, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2052,2053,
igr2= 336, 337,
&end
#
# 136 TYR HD 25 LYS HD+ 5.50 (# 3692:20 Unique
2.71, 3.94 A)
&rst
ixpk= 3692, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2056,2065,
igr2= 336, 337,
&end
#
# 30 PRO HA 26 CYS HA 5.50 (# 3693:20 Unique
2.42, 2.78 A)
&rst
ixpk= 3693, nxpk= 20, iat= 399, 350, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 20-2:3694 26 CYS HA 5.50 (# 3694:20 Single
Ambig)
&rst
ixpk= 3694, nxpk= 20, iat= -1, 350, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 492, 493, 494, 496, 497, 498, 291, 292, 293, 295,
296, 297,
&end
#
# 0 AMB 20-2:3695 26 CYS HA 5.50 (# 3695:20 Single
Ambig)
&rst
ixpk= 3695, nxpk= 20, iat= -1, 350, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1= 410, 411, 492, 493, 494, 496, 497, 498,
&end
#
# 0 AMB 20-2:3696 26 CYS HA 5.50 (# 3696:20 Single
Ambig)
&rst
ixpk= 3696, nxpk= 20, iat= -1, 350, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1= 330, 331,2119,2120,2121,2123,2124,2125,
&end
#
# 5 LEU MDX 26 CYS HB+ 5.50 (# 3697:20 Unique
3.15, 5.91 A)
&rst
ixpk= 3697, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 72, 73, 74, 76, 77, 78,
igr2= 352, 353,
&end
#
# 5 LEU MDX 26 CYS HB- 5.50 (# 3698:20 Unique
3.15, 5.91 A)
&rst
ixpk= 3698, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 72, 73, 74, 76, 77, 78,
igr2= 352, 353,
&end
#
# 30 PRO HA 26 CYS HB+ 5.50 (# 3699:20 Unique
2.58, 3.86 A)
&rst
ixpk= 3699, nxpk= 20, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 352, 353,
&end
#
# 25 LYS HN 26 CYS HB+ 5.50 (# 3701:20 Unique
4.58, 5.54 A)
&rst
ixpk= 3701, nxpk= 20, iat= 326, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 352, 353,
&end
#
# 52 GLU HG+ 49 ALA HA 5.50 (# 3702:20 Unique
2.27, 3.61 A)
&rst
ixpk= 3702, nxpk= 20, iat= -1, 660, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 718, 719,
&end
#
# 52 GLU HG- 49 ALA HA 4.50 (# 3703:20 Unique
2.27, 3.61 A)
&rst
ixpk= 3703, nxpk= 20, iat= -1, 660, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 718, 719,
&end
#
# 95 ASN HB- 82 ALA HA 5.50 (# 3704:20 Unique
2.66, 4.06 A)
&rst
ixpk= 3704, nxpk= 20, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1394,1395,
&end
#
# 0 AMB 20-2:3705 0 AMB 20-1:3705 5.50 (# 3705:20 Double
Ambig)
&rst
ixpk= 3705, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=1231,1232, 352, 353,
igr2=1187, 361,
&end
#
# 85 PHE HB+ 82 ALA HA 5.50 (# 3706:20 Unique
4.02, 4.74 A)
&rst
ixpk= 3706, nxpk= 20, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1231,1232,
&end
#
# 0 AMB 20-2:3707 49 ALA HA 5.50 (# 3707:20 Single
Ambig)
&rst
ixpk= 3707, nxpk= 20, iat= -1, 660, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1= 644, 670, 625,
&end
#
# 51 ARG HN 49 ALA HA 5.50 (# 3708:20 Unique
4.49, 4.55 A)
&rst
ixpk= 3708, nxpk= 20, iat= 687, 660, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 51 ARG HN 49 ALA MB 5.50 (# 3711:20 Unique
4.99, 5.55 A)
&rst
ixpk= 3711, nxpk= 20, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2= 662, 663, 664,
&end
#
# 29 ALA HA 29 ALA MB 2.80 (# 3713:20 Unique
2.39, 2.66 A)
&rst
ixpk= 3713, nxpk= 20, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr2= 383, 384, 385,
&end
#
# 65 ASP HN 63 ALA MB 5.50 (# 3714:20 Unique
5.42, 6.27 A)
&rst
ixpk= 3714, nxpk= 20, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2= 910, 911, 912,
&end
#
# 28 ALA HN 29 ALA MB 4.50 (# 3716:20 Unique
4.95, 5.62 A)
&rst
ixpk= 3716, nxpk= 20, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr2= 383, 384, 385,
&end
#
# 0 AMB 20-2:3717 0 AMB 20-1:3717 4.50 (# 3717:20 Double
Ambig)
&rst
ixpk= 3717, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1= 350, 918,
igr2= 383, 384, 385, 910, 911, 912,
&end
#
# 0 AMB 20-2:3718 30 PRO HA 5.50 (# 3718:20 Single
Ambig)
&rst
ixpk= 3718, nxpk= 20, iat= -1, 399, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 413, 414, 407, 408,
&end
#
# 26 CYS HB+ 30 PRO HA 5.50 (# 3719:20 Unique
2.58, 3.86 A)
&rst
ixpk= 3719, nxpk= 20, iat= -1, 399, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 352, 353,
&end
#
# 26 CYS HB- 30 PRO HA 5.50 (# 3720:20 Unique
2.58, 3.86 A)
&rst
ixpk= 3720, nxpk= 20, iat= -1, 399, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 352, 353,
&end
#
# 30 PRO HD- 30 PRO HA 5.50 (# 3721:20 Unique
3.46, 3.79 A)
&rst
ixpk= 3721, nxpk= 20, iat= -1, 399, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 390, 391,
&end
#
# 26 CYS HA 30 PRO HA 5.50 (# 3722:20 Unique
2.42, 2.78 A)
&rst
ixpk= 3722, nxpk= 20, iat= 350, 399, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 31 LYS HN 30 PRO HA 3.50 (# 3723:20 Unique
2.03, 2.18 A)
&rst
ixpk= 3723, nxpk= 20, iat= 403, 399, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 30 PRO HD+ 30 PRO HB+ 4.50 (# 3724:20 Unique
2.83, 3.70 A)
&rst
ixpk= 3724, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 390, 391,
igr2= 396, 397,
&end
#
# 0 AMB 20-2:3725 0 AMB 20-1:3725 5.50 (# 3725:20 Double
Ambig)
&rst
ixpk= 3725, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4=
9.84,
igr1= 361,1808, 151,2303,
igr2= 396, 397, 167, 168,1271,1272,
&end
#
# 34 TRP HN 30 PRO HB- 5.50 (# 3727:20 Unique
3.54, 5.87 A)
&rst
ixpk= 3727, nxpk= 20, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 396, 397,
&end
#
# 30 PRO HD+ 30 PRO HB- 3.50 (# 3728:20 Unique
2.83, 3.70 A)
&rst
ixpk= 3728, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 390, 391,
igr2= 396, 397,
&end
#
# 31 LYS HN 30 PRO HG+ 5.50 (# 3729:20 Unique
4.49, 5.12 A)
&rst
ixpk= 3729, nxpk= 20, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 393, 394,
&end
#
# 138 ARG HN 137 GLN HB- 5.50 (# 3730:20 Unique
3.21, 4.16 A)
&rst
ixpk= 3730, nxpk= 20, iat=2086, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2073,2074,
&end
#
# 0 AMB 20-2:3731 133 GLU HB- 3.50 (# 3731:20 Single
Ambig)
&rst
ixpk= 3731, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1=2018,2081,2082,
igr2=2007,2008,
&end
#
# 128 ILE HN 127 PRO HG+ 5.50 (# 3732:20 Unique
2.37, 3.47 A)
&rst
ixpk= 3732, nxpk= 20, iat=1924, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1914,1915,
&end
#
# 78 PRO HD+ 78 PRO HG+ 3.50 (# 3733:20 Unique
2.27, 2.61 A)
&rst
ixpk= 3733, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1129,1130,
igr2=1132,1133,
&end
#
# 29 ALA HN 30 PRO HD+ 5.50 (# 3734:20 Unique
3.30, 4.02 A)
&rst
ixpk= 3734, nxpk= 20, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 390, 391,
&end
#
# 30 PRO HB+ 30 PRO HD+ 4.50 (# 3735:20 Unique
2.83, 3.70 A)
&rst
ixpk= 3735, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 396, 397,
igr2= 390, 391,
&end
#
# 139 LEU MDY 31 LYS HB+ 5.50 (# 3736:20 Unique
2.57, 5.20 A)
&rst
ixpk= 3736, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=2119,2120,2121,2123,2124,2125,
igr2= 407, 408,
&end
#
# 31 LYS HE+ 31 LYS HB+ 5.50 (# 3737:20 Unique
2.62, 4.44 A)
&rst
ixpk= 3737, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 416, 417,
igr2= 407, 408,
&end
#
# 31 LYS HE+ 31 LYS HB- 5.50 (# 3738:20 Unique
2.62, 4.44 A)
&rst
ixpk= 3738, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 416, 417,
igr2= 407, 408,
&end
#
# 30 PRO HB+ 31 LYS HB+ 5.50 (# 3739:20 Unique
4.97, 6.28 A)
&rst
ixpk= 3739, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 396, 397,
igr2= 407, 408,
&end
#
# 31 LYS HE- 31 LYS HB+ 5.50 (# 3740:20 Unique
2.62, 4.44 A)
&rst
ixpk= 3740, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 416, 417,
igr2= 407, 408,
&end
#
# 0 AMB 20-2:3741 0 AMB 20-1:3741 5.50 (# 3741:20 Double
Ambig)
&rst
ixpk= 3741, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70,
r4=10.20,
igr1=2131, 427, 428, 427, 428,
igr2= 407, 408, 407, 408, 407, 408,
&end
#
# 0 AMB 20-2:3742 31 LYS HB- 5.50 (# 3742:20 Single
Ambig)
&rst
ixpk= 3742, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4=
8.57,
igr1=2131, 427, 428, 427, 428,
igr2= 407, 408,
&end
#
# 34 TRP HZ2 31 LYS HB+ 5.50 (# 3744:20 Unique
5.95, 7.49 A)
&rst
ixpk= 3744, nxpk= 20, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 407, 408,
&end
#
# 34 TRP HZ2 31 LYS HB- 5.50 (# 3745:20 Unique
5.95, 7.49 A)
&rst
ixpk= 3745, nxpk= 20, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 407, 408,
&end
#
# 34 TRP HD1 31 LYS HB+ 5.50 (# 3746:20 Unique
3.28, 4.59 A)
&rst
ixpk= 3746, nxpk= 20, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 407, 408,
&end
#
# 34 TRP HD1 31 LYS HB- 5.50 (# 3747:20 Unique
3.28, 4.59 A)
&rst
ixpk= 3747, nxpk= 20, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 407, 408,
&end
#
# 0 AMB 20-2:3748 0 AMB 20-1:3748 5.50 (# 3748:20 Double
Ambig)
&rst
ixpk= 3748, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 446,2056,2065,
igr2= 407, 408, 407, 408,
&end
#
# 31 LYS HN 31 LYS HG- 5.50 (# 3750:20 Unique
1.79, 2.96 A)
&rst
ixpk= 3750, nxpk= 20, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 410, 411,
&end
#
# 0 AMB 20-2:3751 0 AMB 20-1:3751 5.50 (# 3751:20 Double
Ambig)
&rst
ixpk= 3751, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4=
9.84,
igr1=2129, 611, 878,
igr2= 410, 411, 91, 92, 93, 95, 96, 97,
&end
#
# 0 AMB 20-2:3752 76 ILE QG2 4.50 (# 3752:20 Single
Ambig)
&rst
ixpk= 3752, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4=
7.57,
igr1=1221,1222,1223,1644,1652,
igr2=1103,1104,1105,
&end
#
# 31 LYS HA 31 LYS HG- 3.50 (# 3754:20 Unique
2.90, 3.58 A)
&rst
ixpk= 3754, nxpk= 20, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2= 410, 411,
&end
#
# 31 LYS HE- 31 LYS HG- 4.50 (# 3755:20 Unique
2.32, 3.08 A)
&rst
ixpk= 3755, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 416, 417,
igr2= 410, 411,
&end
#
# 31 LYS HE+ 31 LYS HG- 3.50 (# 3756:20 Unique
2.32, 3.08 A)
&rst
ixpk= 3756, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 416, 417,
igr2= 410, 411,
&end
#
# 0 AMB 20-2:3758 31 LYS HG- 2.80 (# 3758:20 Single
Ambig)
&rst
ixpk= 3758, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4=
4.46,
igr1= 413, 414, 407, 408,
igr2= 410, 411,
&end
#
# 32 GLY HN 31 LYS HD+ 5.50 (# 3759:20 Unique
3.01, 4.36 A)
&rst
ixpk= 3759, nxpk= 20, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 413, 414,
&end
#
# 80 ASP HN 81 ILE HG1- 5.50 (# 3760:20 Unique
3.63, 4.44 A)
&rst
ixpk= 3760, nxpk= 20, iat=1154, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1176,1177,
&end
#
# 102 LYS HN 98 ILE HG1- 5.50 (# 3762:20 Unique
5.08, 5.88 A)
&rst
ixpk= 3762, nxpk= 20, iat=1511, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1454,1455,
&end
#
# 78 PRO HA 81 ILE HG1- 4.50 (# 3763:20 Unique
2.48, 3.62 A)
&rst
ixpk= 3763, nxpk= 20, iat=1138, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1176,1177,
&end
#
# 0 AMB 20-2:3764 0 AMB 20-1:3764 5.50 (# 3764:20 Double
Ambig)
&rst
ixpk= 3764, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4=
9.23,
igr1=1640,1641,1911,1912,
igr2=1454,1455,1953,1954,
&end
#
# 140 GLU HB- 31 LYS HD+ 4.50 (# 3765:20 Unique
2.42, 4.51 A)
&rst
ixpk= 3765, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=2133,2134,
igr2= 413, 414,
&end
#
# 140 GLU HB+ 31 LYS HD+ 4.50 (# 3766:20 Unique
2.42, 4.51 A)
&rst
ixpk= 3766, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=2133,2134,
igr2= 413, 414,
&end
#
# 137 GLN HN 31 LYS HE+ 5.50 (# 3767:20 Unique
4.03, 5.56 A)
&rst
ixpk= 3767, nxpk= 20, iat=2069, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 416, 417,
&end
#
# 117 ILE QD1 116 ASP HB- 5.50 (# 3769:20 Unique
5.39, 7.58 A)
&rst
ixpk= 3769, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1757,1758,1759,
igr2=1736,1737,
&end
#
# 70 PRO HG- 116 ASP HB- 3.50 (# 3770:20 Unique
2.18, 4.14 A)
&rst
ixpk= 3770, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1003,1004,
igr2=1736,1737,
&end
#
# 80 ASP HN 77 ASP HB- 3.50 (# 3771:20 Unique
3.18, 4.32 A)
&rst
ixpk= 3771, nxpk= 20, iat=1154, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1120,1121,
&end
#
# 0 AMB 20-2:3772 0 AMB 20-1:3772 5.50 (# 3772:20 Double
Ambig)
&rst
ixpk= 3772, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=1129,1130,2050,
igr2=1120,1121, 416, 417,
&end
#
# 137 GLN HA 31 LYS HE- 4.50 (# 3773:20 Unique
2.25, 3.75 A)
&rst
ixpk= 3773, nxpk= 20, iat=2071, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 416, 417,
&end
#
# 140 GLU HN 0 AMB 20-1:3774 5.50 (# 3774:20 Single
Ambig)
&rst
ixpk= 3774, nxpk= 20, iat=2129, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr2= 427, 428, 427, 428,
&end
#
# 114 GLN HE2- 67 GLY HA+ 5.50 (# 3775:20 Unique
3.32, 4.78 A)
&rst
ixpk= 3775, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1713,1714,
igr2= 961, 962,
&end
#
# 0 AMB 20-2:3776 0 AMB 20-1:3776 4.50 (# 3776:20 Double
Ambig)
&rst
ixpk= 3776, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4=
8.43,
igr1=2133,2134,2133,2134,2117,
igr2= 427, 428, 427, 428, 427, 428,
&end
#
# 140 GLU HB- 0 AMB 20-1:3777 5.50 (# 3777:20 Single
Ambig)
&rst
ixpk= 3777, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=2133,2134,
igr2= 427, 428, 427, 428,
&end
#
# 0 AMB 20-2:3778 0 AMB 20-1:3778 5.50 (# 3778:20 Double
Ambig)
&rst
ixpk= 3778, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99,
r4=10.49,
igr1= 407, 408, 407, 408, 413, 414,
igr2= 427, 428, 427, 428, 427, 428,
&end
#
# 31 LYS HB- 0 AMB 20-1:3779 5.50 (# 3779:20 Single
Ambig)
&rst
ixpk= 3779, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1= 407, 408,
igr2= 427, 428, 427, 428,
&end
#
# 139 LEU HB- 0 AMB 20-1:3780 5.50 (# 3780:20 Single
Ambig)
&rst
ixpk= 3780, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=2114,2115,
igr2= 427, 428, 427, 428,
&end
#
# 0 AMB 20-2:3781 67 GLY HA- 5.50 (# 3781:20 Single
Ambig)
&rst
ixpk= 3781, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4=
9.84,
igr1= 975, 976, 977, 979, 980, 981, 975, 976, 977, 979,
980, 981,
igr2= 961, 962,
&end
#
# 0 AMB 20-2:3782 0 AMB 20-1:3782 5.50 (# 3782:20 Double
Ambig)
&rst
ixpk= 3782, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49,
r4=10.99,
igr1= 975, 976, 977, 979, 980, 981, 975, 976, 977, 979,
980, 981,
igr2= 961, 962, 961, 962,
&end
#
# 33 ASN HA 0 AMB 20-1:3783 5.50 (# 3783:20 Single
Ambig)
&rst
ixpk= 3783, nxpk= 20, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr2= 427, 428, 427, 428,
&end
#
# 0 AMB 20-2:3784 33 ASN HA 5.50 (# 3784:20 Single
Ambig)
&rst
ixpk= 3784, nxpk= 20, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 7.19, r4=
7.69,
igr1= 427, 428, 427, 428, 448,
&end
#
# 121 TYR HA 120 PHE HB- 5.50 (# 3785:20 Unique
4.53, 5.24 A)
&rst
ixpk= 3785, nxpk= 20, iat=1808, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1790,1791,
&end
#
# 91 ASN HA 91 ASN HB+ 3.50 (# 3786:20 Unique
2.47, 2.82 A)
&rst
ixpk= 3786, nxpk= 20, iat=1328, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1330,1331,
&end
#
# 0 AMB 20-2:3787 33 ASN HB- 5.50 (# 3787:20 Single
Ambig)
&rst
ixpk= 3787, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4=
8.57,
igr1= 427, 428, 427, 428, 448,
igr2= 436, 437,
&end
#
# 140 GLU HN 140 GLU HA 3.50 (# 3788:20 Unique
2.78, 2.83 A)
&rst
ixpk= 3788, nxpk= 20, iat=2129,2131, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 34 TRP HD1 0 AMB 20-1:3789 5.50 (# 3789:20 Single
Ambig)
&rst
ixpk= 3789, nxpk= 20, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 448,2131,
&end
#
# 33 ASN HN 34 TRP HA 5.50 (# 3790:20 Unique
3.88, 4.61 A)
&rst
ixpk= 3790, nxpk= 20, iat= 432, 448, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 140 GLU HB+ 140 GLU HA 2.80 (# 3792:20 Unique
2.31, 2.55 A)
&rst
ixpk= 3792, nxpk= 20, iat= -1,2131, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1=2133,2134,
&end
#
# 140 GLU HB- 140 GLU HA 2.80 (# 3793:20 Unique
2.31, 2.55 A)
&rst
ixpk= 3793, nxpk= 20, iat= -1,2131, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1=2133,2134,
&end
#
# 5 LEU MDX 34 TRP HA 5.50 (# 3794:20 Unique
6.12, 7.82 A)
&rst
ixpk= 3794, nxpk= 20, iat= -1, 448, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 72, 73, 74, 76, 77, 78,
&end
#
# 139 LEU MDY 140 GLU HA 5.50 (# 3795:20 Unique
5.82, 7.00 A)
&rst
ixpk= 3795, nxpk= 20, iat= -1,2131, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=2119,2120,2121,2123,2124,2125,
&end
#
# 35 VAL MGX 34 TRP HA 4.50 (# 3796:20 Unique
3.51, 5.64 A)
&rst
ixpk= 3796, nxpk= 20, iat= -1, 448, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1= 476, 477, 478, 480, 481, 482,
&end
#
# 0 AMB 20-2:3797 34 TRP HA 4.50 (# 3797:20 Single
Ambig)
&rst
ixpk= 3797, nxpk= 20, iat= -1, 448, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1= 476, 477, 478, 480, 481, 482, 53, 54, 55, 57,
58, 59,
&end
#
# 0 AMB 20-2:3798 0 AMB 20-1:3798 5.50 (# 3798:20 Double
Ambig)
&rst
ixpk= 3798, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1= 488, 405,
igr2= 450, 451, 450, 451,
&end
#
# 139 LEU MDX 34 TRP HB+ 5.50 (# 3799:20 Unique
2.17, 5.23 A)
&rst
ixpk= 3799, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=2119,2120,2121,2123,2124,2125,
igr2= 450, 451,
&end
#
# 5 LEU MDY 34 TRP HB+ 5.50 (# 3800:20 Unique
3.44, 5.67 A)
&rst
ixpk= 3800, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 72, 73, 74, 76, 77, 78,
igr2= 450, 451,
&end
#
# 5 LEU MDY 34 TRP HB- 5.50 (# 3801:20 Unique
3.44, 5.67 A)
&rst
ixpk= 3801, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 72, 73, 74, 76, 77, 78,
igr2= 450, 451,
&end
#
# 139 LEU MDX 34 TRP HB- 5.50 (# 3802:20 Unique
2.17, 5.23 A)
&rst
ixpk= 3802, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=2119,2120,2121,2123,2124,2125,
igr2= 450, 451,
&end
#
# 4 VAL HA 35 VAL HA 5.50 (# 3803:20 Unique
4.35, 4.44 A)
&rst
ixpk= 3803, nxpk= 20, iat= 49, 472, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 87 MET HN 87 MET HB+ 4.50 (# 3804:20 Unique
2.37, 2.52 A)
&rst
ixpk= 3804, nxpk= 20, iat=1264, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1268,1269,
&end
#
# 0 AMB 20-2:3805 0 AMB 20-1:3805 5.50 (# 3805:20 Double
Ambig)
&rst
ixpk= 3805, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=1281,1247,
igr2=1268,1269,1268,1269,
&end
#
# 0 AMB 20-2:3806 0 AMB 20-1:3806 3.50 (# 3806:20 Double
Ambig)
&rst
ixpk= 3806, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4=
6.44,
igr1=1457,1458,1459,1566,1567,1568,
igr2=1135,1136,1590,1591,
&end
#
# 81 ILE QD1 78 PRO HB+ 4.50 (# 3807:20 Unique
2.81, 4.97 A)
&rst
ixpk= 3807, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1179,1180,1181,
igr2=1135,1136,
&end
#
# 35 VAL HA 35 VAL MGY 2.80 (# 3808:20 Unique
2.39, 3.14 A)
&rst
ixpk= 3808, nxpk= 20, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr2= 476, 477, 478, 480, 481, 482,
&end
#
# 37 ILE HN 35 VAL MGY 5.50 (# 3809:20 Unique
4.96, 7.20 A)
&rst
ixpk= 3809, nxpk= 20, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 476, 477, 478, 480, 481, 482,
&end
#
# 3 ASP HN 35 VAL MGX 5.50 (# 3810:20 Unique
3.10, 5.83 A)
&rst
ixpk= 3810, nxpk= 20, iat= 35, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 476, 477, 478, 480, 481, 482,
&end
#
# 36 VAL HB 36 VAL HA 5.50 (# 3811:20 Unique
2.22, 3.00 A)
&rst
ixpk= 3811, nxpk= 20, iat= 490, 488, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 12 MET HG+ 12 MET HB- 4.50 (# 3812:20 Unique
2.33, 2.76 A)
&rst
ixpk= 3812, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 167, 168,
igr2= 164, 165,
&end
#
# 128 ILE HN 128 ILE QG2 4.50 (# 3813:20 Unique
4.17, 4.39 A)
&rst
ixpk= 3813, nxpk= 20, iat=1924, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr2=1930,1931,1932,
&end
#
# 128 ILE HA 128 ILE QG2 2.80 (# 3814:20 Unique
2.59, 3.24 A)
&rst
ixpk= 3814, nxpk= 20, iat=1926, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr2=1930,1931,1932,
&end
#
# 5 LEU MDY 36 VAL MGY 5.50 (# 3815:20 Unique
2.30, 5.75 A)
&rst
ixpk= 3815, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99,
r4=10.49,
igr1= 72, 73, 74, 76, 77, 78,
igr2= 492, 493, 494, 496, 497, 498,
&end
#
# 0 AMB 20-2:3816 0 AMB 20-1:3816 5.50 (# 3816:20 Double
Ambig)
&rst
ixpk= 3816, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4=
9.84,
igr1= 179, 49,
igr2=1769,1770,1771,1773,1774,1775, 492, 493, 494, 496,
497, 498,
&end
#
# 0 AMB 20-2:3817 36 VAL MGY 4.50 (# 3817:20 Single
Ambig)
&rst
ixpk= 3817, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1= 359, 348,
igr2= 492, 493, 494, 496, 497, 498,
&end
#
# 38 ASP HB+ 37 ILE HA 5.50 (# 3818:20 Unique
4.18, 4.60 A)
&rst
ixpk= 3818, nxpk= 20, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 525, 526,
&end
#
# 37 ILE HG1- 37 ILE HA 3.50 (# 3819:20 Unique
2.26, 2.72 A)
&rst
ixpk= 3819, nxpk= 20, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 512, 513,
&end
#
# 6 LEU HA 37 ILE HG1- 5.50 (# 3820:20 Unique
4.59, 5.12 A)
&rst
ixpk= 3820, nxpk= 20, iat= 84, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 512, 513,
&end
#
# 110 PHE HB+ 98 ILE QD1 4.50 (# 3821:20 Unique
2.29, 3.95 A)
&rst
ixpk= 3821, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1640,1641,
igr2=1457,1458,1459,
&end
#
# 50 ILE HN 37 ILE QD1 5.50 (# 3822:20 Unique
3.56, 4.16 A)
&rst
ixpk= 3822, nxpk= 20, iat= 668, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2= 515, 516, 517,
&end
#
# 117 ILE HN 117 ILE QG2 5.50 (# 3823:20 Unique
2.13, 3.41 A)
&rst
ixpk= 3823, nxpk= 20, iat=1744, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=1750,1751,1752,
&end
#
# 0 AMB 20-2:3824 60 ILE QD1 5.50 (# 3824:20 Single
Ambig)
&rst
ixpk= 3824, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 878,1511,
igr2= 872, 873, 874,
&end
#
# 108 VAL HA 105 ILE QG2 4.50 (# 3825:20 Unique
3.23, 4.39 A)
&rst
ixpk= 3825, nxpk= 20, iat=1603, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr2=1566,1567,1568,
&end
#
# 39 GLY HA- 37 ILE QG2 5.50 (# 3826:20 Unique
3.98, 5.07 A)
&rst
ixpk= 3826, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 535, 536,
igr2= 508, 509, 510,
&end
#
# 39 GLY HA+ 38 ASP HA 4.50 (# 3827:20 Unique
4.38, 4.46 A)
&rst
ixpk= 3827, nxpk= 20, iat= -1, 523, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 535, 536,
&end
#
# 0 AMB 20-2:3828 38 ASP HA 3.50 (# 3828:20 Single
Ambig)
&rst
ixpk= 3828, nxpk= 20, iat= -1, 523, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 91, 92, 93, 95, 96, 97, 508, 509, 510,
&end
#
# 39 GLY HN 38 ASP HB+ 5.50 (# 3829:20 Unique
4.21, 4.42 A)
&rst
ixpk= 3829, nxpk= 20, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 525, 526,
&end
#
# 37 ILE HA 38 ASP HB+ 4.50 (# 3830:20 Unique
4.18, 4.60 A)
&rst
ixpk= 3830, nxpk= 20, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 525, 526,
&end
#
# 37 ILE QG2 38 ASP HB- 5.50 (# 3831:20 Unique
5.02, 5.98 A)
&rst
ixpk= 3831, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 508, 509, 510,
igr2= 525, 526,
&end
#
# 39 GLY HN 38 ASP HB- 5.50 (# 3833:20 Unique
4.21, 4.42 A)
&rst
ixpk= 3833, nxpk= 20, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 525, 526,
&end
#
# 46 ASP HB+ 39 GLY HA- 5.50 (# 3834:20 Unique
2.79, 3.84 A)
&rst
ixpk= 3834, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 615, 616,
igr2= 535, 536,
&end
#
# 0 AMB 20-2:3835 0 AMB 20-1:3835 4.50 (# 3835:20 Double
Ambig)
&rst
ixpk= 3835, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1= 128, 558,
igr2= 542, 543, 542, 543,
&end
#
# 43 PRO HA 40 GLY HA+ 5.50 (# 3836:20 Unique
4.88, 6.17 A)
&rst
ixpk= 3836, nxpk= 20, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 542, 543,
&end
#
# 8 VAL MGX 40 GLY HA+ 5.50 (# 3838:20 Unique
3.19, 6.57 A)
&rst
ixpk= 3838, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 118, 119, 120, 122, 123, 124,
igr2= 542, 543,
&end
#
# 8 VAL MGY 40 GLY HA+ 5.50 (# 3839:20 Unique
3.19, 6.57 A)
&rst
ixpk= 3839, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 118, 119, 120, 122, 123, 124,
igr2= 542, 543,
&end
#
# 20 PRO HB- 40 GLY HA+ 5.50 (# 3840:20 Unique
4.57, 5.83 A)
&rst
ixpk= 3840, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 256, 257,
igr2= 542, 543,
&end
#
# 7 CYS HB- 40 GLY HA+ 5.50 (# 3841:20 Unique
4.61, 6.27 A)
&rst
ixpk= 3841, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 105, 106,
igr2= 542, 543,
&end
#
# 105 ILE HG1+ 106 GLY HA- 5.50 (# 3842:20 Unique
6.38, 6.83 A)
&rst
ixpk= 3842, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1570,1571,
igr2=1581,1582,
&end
#
# 56 THR HA 106 GLY HA- 4.50 (# 3843:20 Unique
3.86, 4.71 A)
&rst
ixpk= 3843, nxpk= 20, iat= 785, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1581,1582,
&end
#
# 16 ASP HN 15 ASP HA 5.50 (# 3844:20 Unique
3.43, 3.46 A)
&rst
ixpk= 3844, nxpk= 20, iat= 213, 203, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 17 GLY HN 15 ASP HA 5.50 (# 3845:20 Unique
3.39, 3.61 A)
&rst
ixpk= 3845, nxpk= 20, iat= 225, 203, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 42 ALA MB 41 SER HB+ 5.50 (# 3846:20 Unique
4.00, 6.08 A)
&rst
ixpk= 3846, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 562, 563, 564,
igr2= 551, 552,
&end
#
# 10 ASN HD2- 41 SER HB+ 5.50 (# 3847:20 Unique
2.98, 5.23 A)
&rst
ixpk= 3847, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 144, 145,
igr2= 551, 552,
&end
#
# 10 ASN HB- 41 SER HB- 5.50 (# 3850:20 Unique
2.25, 3.84 A)
&rst
ixpk= 3850, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 139, 140,
igr2= 551, 552,
&end
#
# 10 ASN HB+ 41 SER HB- 5.50 (# 3851:20 Unique
2.25, 3.84 A)
&rst
ixpk= 3851, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 139, 140,
igr2= 551, 552,
&end
#
# 0 AMB 20-2:3853 0 AMB 20-1:3853 4.50 (# 3853:20 Double
Ambig)
&rst
ixpk= 3853, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1767, 490,
igr2=1746, 504,
&end
#
# 42 ALA MB 41 SER HB- 5.50 (# 3854:20 Unique
4.00, 6.08 A)
&rst
ixpk= 3854, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 562, 563, 564,
igr2= 551, 552,
&end
#
# 84 MET HG- 81 ILE HA 5.50 (# 3855:20 Unique
4.06, 4.40 A)
&rst
ixpk= 3855, nxpk= 20, iat= -1,1168, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1217,1218,
&end
#
# 0 AMB 20-2:3856 70 PRO HA 5.50 (# 3856:20 Single
Ambig)
&rst
ixpk= 3856, nxpk= 20, iat= -1,1009, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1728,1684,
&end
#
# 44 GLU HN 0 AMB 20-1:3857 5.50 (# 3857:20 Single
Ambig)
&rst
ixpk= 3857, nxpk= 20, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr2= 575, 576, 575, 576,
&end
#
# 123 PRO HA 123 PRO HB- 2.80 (# 3859:20 Unique
2.32, 2.52 A)
&rst
ixpk= 3859, nxpk= 20, iat=1858, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr2=1855,1856,
&end
#
# 42 ALA HA 0 AMB 20-1:3860 4.50 (# 3860:20 Single
Ambig)
&rst
ixpk= 3860, nxpk= 20, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr2= 572, 573, 572, 573,
&end
#
# 0 AMB 20-2:3861 0 AMB 20-1:3861 3.50 (# 3861:20 Double
Ambig)
&rst
ixpk= 3861, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4=
6.06,
igr1= 569, 570, 569, 570,
igr2= 572, 573, 572, 573,
&end
#
# 0 AMB 20-2:3862 0 AMB 20-1:3862 2.80 (# 3862:20 Double
Ambig)
&rst
ixpk= 3862, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4=
6.43,
igr1= 53, 54, 55, 57, 58, 59,1048,1049,1050,1501,
1502,1503,1505,1506,1507,
igr2= 773, 774,1045,1046, 773, 774,
&end
#
# 69 ASN HA 70 PRO HD- 2.80 (# 3863:20 Unique
2.20, 2.57 A)
&rst
ixpk= 3863, nxpk= 20, iat= 987, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr2=1000,1001,
&end
#
# 114 GLN HG+ 70 PRO HD- 4.50 (# 3864:20 Unique
3.89, 4.59 A)
&rst
ixpk= 3864, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1708,1709,
igr2=1000,1001,
&end
#
# 62 ASP HN 112 GLY HA- 4.50 (# 3867:20 Unique
3.12, 4.02 A)
&rst
ixpk= 3867, nxpk= 20, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1677,1678,
&end
#
# 60 ILE HN 60 ILE HA 5.50 (# 3868:20 Unique
2.95, 2.96 A)
&rst
ixpk= 3868, nxpk= 20, iat= 859, 861, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 6 LEU HN 60 ILE HA 5.50 (# 3869:20 Unique
2.48, 2.63 A)
&rst
ixpk= 3869, nxpk= 20, iat= 82, 861, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 20-2:3870 60 ILE HA 4.50 (# 3870:20 Single
Ambig)
&rst
ixpk= 3870, nxpk= 20, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1= 86, 87, 118, 119, 120, 122, 123, 124,
&end
#
# 6 LEU HG 60 ILE HA 5.50 (# 3871:20 Unique
3.88, 4.02 A)
&rst
ixpk= 3871, nxpk= 20, iat= 89, 861, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 6 LEU HB+ 60 ILE HA 4.50 (# 3872:20 Unique
2.60, 3.61 A)
&rst
ixpk= 3872, nxpk= 20, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 86, 87,
&end
#
# 5 LEU MDY 60 ILE HA 5.50 (# 3873:20 Unique
3.06, 5.67 A)
&rst
ixpk= 3873, nxpk= 20, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 72, 73, 74, 76, 77, 78,
&end
#
# 62 ASP HN 62 ASP HA 4.50 (# 3874:20 Unique
2.85, 2.87 A)
&rst
ixpk= 3874, nxpk= 20, iat= 894, 896, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 8 VAL HN 8 VAL HA 5.50 (# 3875:20 Unique
2.95, 2.97 A)
&rst
ixpk= 3875, nxpk= 20, iat= 112, 114, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 20 PRO HG+ 9 GLY HA- 5.50 (# 3876:20 Unique
3.30, 4.51 A)
&rst
ixpk= 3876, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 253, 254,
igr2= 130, 131,
&end
#
# 56 THR HN 56 THR HA 4.50 (# 3877:20 Unique
2.87, 2.89 A)
&rst
ixpk= 3877, nxpk= 20, iat= 783, 785, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 122 TYR HE 119 GLY HA+ 5.50 (# 3878:20 Unique
2.74, 5.02 A)
&rst
ixpk= 3878, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1837,1842,
igr2=1781,1782,
&end
#
# 142 TRP HE1 146 GLY HA+ 5.50 (# 3879:20 Unique
4.16, 4.99 A)
&rst
ixpk= 3879, nxpk= 20, iat=2161, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2213,2214,
&end
#
# 0 AMB 20-2:3880 0 AMB 20-1:3880 5.50 (# 3880:20 Double
Ambig)
&rst
ixpk= 3880, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1945,1358,1359,
igr2=1967,1249,
&end
#
# 0 AMB 20-2:3881 154 GLU HA 3.50 (# 3881:20 Single
Ambig)
&rst
ixpk= 3881, nxpk= 20, iat= -1,2319, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1=2324,2325,2324,2325,2339,2340,2339,2340,
&end
#
# 133 GLU HB+ 130 ASP HA 3.50 (# 3882:20 Unique
2.32, 3.10 A)
&rst
ixpk= 3882, nxpk= 20, iat= -1,1967, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=2007,2008,
&end
#
# 0 AMB 20-2:3883 154 GLU HA 4.50 (# 3883:20 Single
Ambig)
&rst
ixpk= 3883, nxpk= 20, iat= -1,2319, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1=2307,2308,2309,2311,2312,2313,2307,2308,2309,2311,
2312,2313,
&end
#
# 65 ASP HN 65 ASP HB- 3.50 (# 3884:20 Unique
2.42, 2.55 A)
&rst
ixpk= 3884, nxpk= 20, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2= 934, 935,
&end
#
# 79 ASP HN 79 ASP HB+ 3.50 (# 3885:20 Unique
2.46, 2.52 A)
&rst
ixpk= 3885, nxpk= 20, iat=1142, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1146,1147,
&end
#
# 126 GLN HE2- 0 AMB 20-1:3886 5.50 (# 3886:20 Single
Ambig)
&rst
ixpk= 3886, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=1905,1906,
igr2=1969,1970,1969,1970,
&end
#
# 0 AMB 20-2:3887 0 AMB 20-1:3887 5.50 (# 3887:20 Double
Ambig)
&rst
ixpk= 3887, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99,
r4=10.49,
igr1=1129,1130,1911,1912,1911,1912,
igr2=1146,1147,1969,1970,1969,1970,
&end
#
# 0 AMB 20-2:3888 0 AMB 20-1:3888 5.50 (# 3888:20 Double
Ambig)
&rst
ixpk= 3888, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.25,
r4=10.75,
igr1=1981,1982,1983,1953,1954,1953,1954,
igr2=1969,1970,1969,1970,1969,1970,
&end
#
# 154 GLU HB- 154 GLU HA 3.50 (# 3889:20 Unique
2.36, 2.64 A)
&rst
ixpk= 3889, nxpk= 20, iat= -1,2319, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=2321,2322,
&end
#
# 0 AMB 20-2:3890 115 PRO HA 5.50 (# 3890:20 Single
Ambig)
&rst
ixpk= 3890, nxpk= 20, iat= -1,1728, r1= 1.30, r2= 1.80, r3= 7.19, r4=
7.69,
igr1= 910, 911, 912,1754,1755,
&end
#
# 116 ASP HB- 115 PRO HA 5.50 (# 3891:20 Unique
4.41, 4.63 A)
&rst
ixpk= 3891, nxpk= 20, iat= -1,1728, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1736,1737,
&end
#
# 71 GLY HA- 115 PRO HA 5.50 (# 3892:20 Unique
5.49, 6.20 A)
&rst
ixpk= 3892, nxpk= 20, iat= -1,1728, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1015,1016,
&end
#
# 116 ASP HB+ 115 PRO HA 5.50 (# 3893:20 Unique
4.41, 4.63 A)
&rst
ixpk= 3893, nxpk= 20, iat= -1,1728, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1736,1737,
&end
#
# 0 AMB 20-2:3894 115 PRO HA 5.50 (# 3894:20 Single
Ambig)
&rst
ixpk= 3894, nxpk= 20, iat= -1,1728, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1719,1720,1009,
&end
#
# 14 GLY HA+ 123 PRO HA 5.50 (# 3895:20 Unique
3.55, 4.77 A)
&rst
ixpk= 3895, nxpk= 20, iat= -1,1858, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 196, 197,
&end
#
# 115 PRO HD+ 115 PRO HA 5.50 (# 3896:20 Unique
3.41, 3.88 A)
&rst
ixpk= 3896, nxpk= 20, iat= -1,1728, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1719,1720,
&end
#
# 115 PRO HD- 115 PRO HB+ 5.50 (# 3898:20 Unique
2.69, 3.67 A)
&rst
ixpk= 3898, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1719,1720,
igr2=1725,1726,
&end
#
# 115 PRO HD+ 115 PRO HB+ 5.50 (# 3899:20 Unique
2.69, 3.67 A)
&rst
ixpk= 3899, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1719,1720,
igr2=1725,1726,
&end
#
# 15 ASP HB- 115 PRO HB+ 4.50 (# 3900:20 Unique
2.45, 2.90 A)
&rst
ixpk= 3900, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 205, 206,
igr2=1725,1726,
&end
#
# 115 PRO HA 115 PRO HB+ 4.50 (# 3901:20 Unique
2.31, 2.53 A)
&rst
ixpk= 3901, nxpk= 20, iat=1728, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1725,1726,
&end
#
# 9 GLY HN 8 VAL HB 5.50 (# 3902:20 Unique
3.80, 4.05 A)
&rst
ixpk= 3902, nxpk= 20, iat= 128, 116, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 117 ILE HN 115 PRO HB+ 5.50 (# 3903:20 Unique
3.39, 4.27 A)
&rst
ixpk= 3903, nxpk= 20, iat=1744, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1725,1726,
&end
#
# 116 ASP HN 115 PRO HB+ 5.50 (# 3904:20 Unique
2.51, 3.14 A)
&rst
ixpk= 3904, nxpk= 20, iat=1732, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1725,1726,
&end
#
# 116 ASP HN 115 PRO HB- 5.50 (# 3905:20 Unique
2.51, 3.14 A)
&rst
ixpk= 3905, nxpk= 20, iat=1732, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1725,1726,
&end
#
# 72 GLU HG+ 68 LEU HA 5.50 (# 3909:20 Unique
4.46, 5.38 A)
&rst
ixpk= 3909, nxpk= 20, iat= -1, 968, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1027,1028,
&end
#
# 114 GLN HE2- 114 GLN HA 5.50 (# 3910:20 Unique
3.07, 3.41 A)
&rst
ixpk= 3910, nxpk= 20, iat= -1,1703, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1713,1714,
&end
#
# 114 GLN HN 114 GLN HA 4.50 (# 3911:20 Unique
2.77, 2.78 A)
&rst
ixpk= 3911, nxpk= 20, iat=1701,1703, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 71 GLY HN 114 GLN HA 5.50 (# 3912:20 Unique
4.62, 4.68 A)
&rst
ixpk= 3912, nxpk= 20, iat=1013,1703, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 62 ASP HB- 62 ASP HA 3.50 (# 3913:20 Unique
2.50, 2.78 A)
&rst
ixpk= 3913, nxpk= 20, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 898, 899,
&end
#
# 15 ASP HN 118 VAL MGX 4.50 (# 3916:20 Unique
2.82, 4.56 A)
&rst
ixpk= 3916, nxpk= 20, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr2=1769,1770,1771,1773,1774,1775,
&end
#
# 0 AMB 20-2:3917 0 AMB 20-1:3917 4.50 (# 3917:20 Double
Ambig)
&rst
ixpk= 3917, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1=1212, 265,
igr2=1202,1203, 318, 319,
&end
#
# 59 LEU MDX 0 AMB 20-1:3918 4.50 (# 3918:20 Single
Ambig)
&rst
ixpk= 3918, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4=
9.68,
igr1= 849, 850, 851, 853, 854, 855,
igr2=2119,2120,2121,2123,2124,2125,1665,1666,1667,1669,
1670,1671,
&end
#
# 85 PHE HD 82 ALA HA 5.50 (# 3919:20 Unique
5.65, 6.60 A)
&rst
ixpk= 3919, nxpk= 20, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1235,1243,
&end
#
# 59 LEU MDX 5 LEU HA 5.50 (# 3920:20 Unique
3.46, 5.59 A)
&rst
ixpk= 3920, nxpk= 20, iat= -1, 65, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 849, 850, 851, 853, 854, 855,
&end
#
# 138 ARG HD- 0 AMB 20-1:3921 5.50 (# 3921:20 Single
Ambig)
&rst
ixpk= 3921, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=2096,2097,
igr2=2090,2091,2090,2091,
&end
#
# 125 THR HB 125 THR MG2 2.80 (# 3922:20 Unique
2.20, 2.62 A)
&rst
ixpk= 3922, nxpk= 20, iat=1883, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr2=1885,1886,1887,
&end
#
# 30 PRO HG- 30 PRO HD- 2.80 (# 3923:20 Unique
2.32, 2.62 A)
&rst
ixpk= 3923, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1= 393, 394,
igr2= 390, 391,
&end
#
# 0 AMB 20-2:3924 0 AMB 20-1:3924 4.50 (# 3924:20 Double
Ambig)
&rst
ixpk= 3924, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4=
6.99,
igr1=1015,1016,1187,
igr2=1928,1202,1203,
&end
#
# 138 ARG HG- 138 ARG HD+ 3.50 (# 3925:20 Unique
2.24, 2.62 A)
&rst
ixpk= 3925, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=2093,2094,
igr2=2096,2097,
&end
#
# 75 ILE HG1- 75 ILE QD1 2.80 (# 3926:20 Unique
2.34, 2.67 A)
&rst
ixpk= 3926, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1=1088,1089,
igr2=1091,1092,1093,
&end
#
# 10 ASN HD2- 10 ASN HB+ 4.50 (# 3927:20 Unique
2.21, 3.17 A)
&rst
ixpk= 3927, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 144, 145,
igr2= 139, 140,
&end
#
# 10 ASN HD2- 10 ASN HB- 4.50 (# 3928:20 Unique
2.21, 3.17 A)
&rst
ixpk= 3928, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 144, 145,
igr2= 139, 140,
&end
#
# 41 SER HB+ 10 ASN HB+ 5.50 (# 3929:20 Unique
2.25, 3.84 A)
&rst
ixpk= 3929, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 551, 552,
igr2= 139, 140,
&end
#
# 41 SER HB+ 10 ASN HB- 5.50 (# 3930:20 Unique
2.25, 3.84 A)
&rst
ixpk= 3930, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 551, 552,
igr2= 139, 140,
&end
#
# 41 SER HB- 10 ASN HB+ 5.50 (# 3931:20 Unique
2.25, 3.84 A)
&rst
ixpk= 3931, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 551, 552,
igr2= 139, 140,
&end
#
# 41 SER HB- 10 ASN HB- 4.50 (# 3932:20 Unique
2.25, 3.84 A)
&rst
ixpk= 3932, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 551, 552,
igr2= 139, 140,
&end
#
# 10 ASN HD2- 13 MET HA 5.50 (# 3933:20 Unique
4.49, 5.12 A)
&rst
ixpk= 3933, nxpk= 20, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 144, 145,
&end
#
# 0 AMB 20-2:3934 0 AMB 20-1:3934 5.50 (# 3934:20 Double
Ambig)
&rst
ixpk= 3934, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=2164,1794,1802,
igr2= 842, 179,
&end
#
# 14 GLY HN 13 MET HB- 5.50 (# 3935:20 Unique
4.37, 4.55 A)
&rst
ixpk= 3935, nxpk= 20, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 181, 182,
&end
#
# 10 ASN HD2- 13 MET HB- 4.50 (# 3936:20 Unique
2.44, 3.66 A)
&rst
ixpk= 3936, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 144, 145,
igr2= 181, 182,
&end
#
# 120 PHE HD 13 MET HB- 5.50 (# 3937:20 Unique
3.90, 6.18 A)
&rst
ixpk= 3937, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1794,1802,
igr2= 181, 182,
&end
#
# 55 PRO HD+ 55 PRO HB- 4.50 (# 3938:20 Unique
2.81, 3.68 A)
&rst
ixpk= 3938, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 770, 771,
igr2= 776, 777,
&end
#
# 10 ASN HD2- 13 MET HB+ 5.50 (# 3939:20 Unique
2.44, 3.66 A)
&rst
ixpk= 3939, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 144, 145,
igr2= 181, 182,
&end
#
# 0 AMB 20-2:3940 0 AMB 20-1:3940 5.50 (# 3940:20 Double
Ambig)
&rst
ixpk= 3940, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4=
9.40,
igr1= 160, 225,1786,
igr2= 181, 182, 181, 182, 181, 182,
&end
#
# 151 LEU HB- 74 ARG HB- 5.50 (# 3941:20 Unique
2.10, 3.20 A)
&rst
ixpk= 3941, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2276,2277,
igr2=1058,1059,
&end
#
# 0 AMB 20-2:3942 14 GLY HA- 4.50 (# 3942:20 Single
Ambig)
&rst
ixpk= 3942, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1765,1858,
igr2= 196, 197,
&end
#
# 122 TYR HB+ 14 GLY HA+ 5.50 (# 3943:20 Unique
2.58, 3.13 A)
&rst
ixpk= 3943, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1831,1832,
igr2= 196, 197,
&end
#
# 122 TYR HB+ 14 GLY HA- 5.50 (# 3944:20 Unique
2.58, 3.13 A)
&rst
ixpk= 3944, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1831,1832,
igr2= 196, 197,
&end
#
# 0 AMB 20-2:3945 0 AMB 20-1:3945 5.50 (# 3945:20 Double
Ambig)
&rst
ixpk= 3945, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70,
r4=10.20,
igr1= 801, 802,1852,1853,1605,
igr2=1581,1582, 196, 197,1581,1582,
&end
#
# 0 AMB 20-2:3946 0 AMB 20-1:3946 5.50 (# 3946:20 Double
Ambig)
&rst
ixpk= 3946, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4=
9.84,
igr1=2179,2180, 184, 185,1855,1856,
igr2=2192,2193, 196, 197,
&end
#
# 0 AMB 20-2:3947 14 GLY HA- 5.50 (# 3947:20 Single
Ambig)
&rst
ixpk= 3947, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=1866,1867,1852,1853,
igr2= 196, 197,
&end
#
# 18 ALA HN 15 ASP HA 5.50 (# 3948:20 Unique
4.57, 5.12 A)
&rst
ixpk= 3948, nxpk= 20, iat= 232, 203, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 20-2:3949 15 ASP HA 5.50 (# 3949:20 Single
Ambig)
&rst
ixpk= 3949, nxpk= 20, iat= -1, 203, r1= 1.30, r2= 1.80, r3= 7.19, r4=
7.69,
igr1=1934,1935,1885,1886,1887,
&end
#
# 16 ASP HN 15 ASP HB+ 5.50 (# 3951:20 Unique
2.95, 3.65 A)
&rst
ixpk= 3951, nxpk= 20, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 205, 206,
&end
#
# 16 ASP HN 15 ASP HB- 5.50 (# 3952:20 Unique
2.95, 3.65 A)
&rst
ixpk= 3952, nxpk= 20, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 205, 206,
&end
#
# 17 GLY HN 15 ASP HB+ 5.50 (# 3953:20 Unique
4.93, 5.18 A)
&rst
ixpk= 3953, nxpk= 20, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 205, 206,
&end
#
# 17 GLY HN 15 ASP HB- 5.50 (# 3954:20 Unique
4.93, 5.18 A)
&rst
ixpk= 3954, nxpk= 20, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 205, 206,
&end
#
# 63 ALA HN 16 ASP HB+ 5.50 (# 3955:20 Unique
5.86, 6.12 A)
&rst
ixpk= 3955, nxpk= 20, iat= 906, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 217, 218,
&end
#
# 13 MET HN 16 ASP HB+ 5.50 (# 3956:20 Unique
3.44, 4.35 A)
&rst
ixpk= 3956, nxpk= 20, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 217, 218,
&end
#
# 13 MET HN 16 ASP HB- 5.50 (# 3957:20 Unique
3.44, 4.35 A)
&rst
ixpk= 3957, nxpk= 20, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 217, 218,
&end
#
# 0 AMB 20-2:3958 0 AMB 20-1:3958 5.50 (# 3958:20 Double
Ambig)
&rst
ixpk= 3958, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=1227,1247,
igr2=1217,1218,1217,1218,
&end
#
# 0 AMB 20-2:3959 84 MET HG- 5.50 (# 3959:20 Single
Ambig)
&rst
ixpk= 3959, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1227,1247,
igr2=1217,1218,
&end
#
# 85 PHE HD 84 MET HG+ 5.50 (# 3961:20 Unique
5.38, 7.78 A)
&rst
ixpk= 3961, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1235,1243,
igr2=1217,1218,
&end
#
# 85 PHE HD 84 MET HG- 5.50 (# 3962:20 Unique
5.38, 7.78 A)
&rst
ixpk= 3962, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1235,1243,
igr2=1217,1218,
&end
#
# 64 THR HB 66 MET HG+ 5.50 (# 3963:20 Unique
2.74, 3.58 A)
&rst
ixpk= 3963, nxpk= 20, iat= 920, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 949, 950,
&end
#
# 87 MET HN 85 PHE HA 5.50 (# 3964:20 Unique
3.63, 3.86 A)
&rst
ixpk= 3964, nxpk= 20, iat=1264,1229, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 84 MET HN 85 PHE HA 5.50 (# 3965:20 Unique
5.18, 5.31 A)
&rst
ixpk= 3965, nxpk= 20, iat=1210,1229, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 20-2:3966 85 PHE HA 5.50 (# 3966:20 Single
Ambig)
&rst
ixpk= 3966, nxpk= 20, iat= -1,1229, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1268,1269,1251,1252, 949, 950,
&end
#
# 84 MET HB- 85 PHE HA 5.50 (# 3967:20 Unique
4.10, 4.47 A)
&rst
ixpk= 3967, nxpk= 20, iat= -1,1229, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1214,1215,
&end
#
# 88 THR MG2 85 PHE HA 5.50 (# 3968:20 Unique
2.85, 5.09 A)
&rst
ixpk= 3968, nxpk= 20, iat= -1,1229, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1287,1288,1289,
&end
#
# 94 LEU HN 85 PHE HB+ 5.50 (# 3969:20 Unique
2.74, 3.45 A)
&rst
ixpk= 3969, nxpk= 20, iat=1371, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1231,1232,
&end
#
# 94 LEU HN 85 PHE HB- 4.50 (# 3970:20 Unique
2.74, 3.45 A)
&rst
ixpk= 3970, nxpk= 20, iat=1371, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1231,1232,
&end
#
# 84 MET HN 85 PHE HB+ 5.50 (# 3971:20 Unique
4.46, 5.30 A)
&rst
ixpk= 3971, nxpk= 20, iat=1210, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1231,1232,
&end
#
# 88 THR MG2 85 PHE HB+ 5.50 (# 3972:20 Unique
5.00, 6.94 A)
&rst
ixpk= 3972, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1287,1288,1289,
igr2=1231,1232,
&end
#
# 131 ALA HN 130 ASP HA 4.50 (# 3975:20 Unique
3.54, 3.55 A)
&rst
ixpk= 3975, nxpk= 20, iat=1977,1967, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 20-2:3977 86 MET HA 5.50 (# 3977:20 Single
Ambig)
&rst
ixpk= 3977, nxpk= 20, iat= -1,1249, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1231,1232,1313,1314,
&end
#
# 0 AMB 20-2:3978 0 AMB 20-1:3978 4.50 (# 3978:20 Double
Ambig)
&rst
ixpk= 3978, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1=1264,1309,
igr2=1271,1272,1251,1252,
&end
#
# 86 MET HA 86 MET HB+ 2.80 (# 3979:20 Unique
2.26, 2.41 A)
&rst
ixpk= 3979, nxpk= 20, iat=1249, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr2=1251,1252,
&end
#
# 87 MET HN 87 MET HA 4.50 (# 3980:20 Unique
2.80, 2.84 A)
&rst
ixpk= 3980, nxpk= 20, iat=1264,1266, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 68 LEU HN 67 GLY HA- 4.50 (# 3981:20 Unique
3.11, 3.36 A)
&rst
ixpk= 3981, nxpk= 20, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 961, 962,
&end
#
# 68 LEU HN 67 GLY HA+ 4.50 (# 3982:20 Unique
3.11, 3.36 A)
&rst
ixpk= 3982, nxpk= 20, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 961, 962,
&end
#
# 0 AMB 20-2:3985 40 GLY HA- 3.50 (# 3985:20 Single
Ambig)
&rst
ixpk= 3985, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 128, 558,
igr2= 542, 543,
&end
#
# 45 ASN HN 45 ASN HB- 3.50 (# 3986:20 Unique
2.12, 2.85 A)
&rst
ixpk= 3986, nxpk= 20, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2= 601, 602,
&end
#
# 0 AMB 20-2:3987 50 ILE HB 2.80 (# 3987:20 Single
Ambig)
&rst
ixpk= 3987, nxpk= 20, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 3.66, r4=
4.16,
igr1= 681, 682, 683, 678, 679,
&end
#
# 138 ARG HN 137 GLN HG+ 5.50 (# 3990:20 Unique
2.72, 3.21 A)
&rst
ixpk= 3990, nxpk= 20, iat=2086, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2076,2077,
&end
#
# 138 ARG HN 137 GLN HG- 5.50 (# 3991:20 Unique
2.72, 3.21 A)
&rst
ixpk= 3991, nxpk= 20, iat=2086, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2076,2077,
&end
#
# 72 GLU HN 72 GLU HB- 4.50 (# 3992:20 Unique
2.24, 2.92 A)
&rst
ixpk= 3992, nxpk= 20, iat=1020, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1024,1025,
&end
#
# 103 GLU HA 103 GLU HB- 2.80 (# 3993:20 Unique
2.23, 2.60 A)
&rst
ixpk= 3993, nxpk= 20, iat=1535, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr2=1537,1538,
&end
#
# 34 TRP HZ2 139 LEU MDX 5.50 (# 3994:20 Unique
4.42, 7.17 A)
&rst
ixpk= 3994, nxpk= 20, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2=2119,2120,2121,2123,2124,2125,
&end
#
# 0 AMB 20-2:3995 139 LEU MDX 4.50 (# 3995:20 Single
Ambig)
&rst
ixpk= 3995, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4=
7.78,
igr1= 446,2056,2065,
igr2=2119,2120,2121,2123,2124,2125,
&end
#
# 139 LEU HN 139 LEU MDX 3.50 (# 3996:20 Unique
2.00, 3.85 A)
&rst
ixpk= 3996, nxpk= 20, iat=2110, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr2=2119,2120,2121,2123,2124,2125,
&end
#
# 0 AMB 20-2:3997 21 LEU HG 3.50 (# 3997:20 Single
Ambig)
&rst
ixpk= 3997, nxpk= 20, iat= -1, 270, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1= 339, 340, 339, 340,
&end
#
# 34 TRP HE1 139 LEU MDX 5.50 (# 4001:20 Unique
3.18, 5.06 A)
&rst
ixpk= 4001, nxpk= 20, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2=2119,2120,2121,2123,2124,2125,
&end
#
# 31 LYS HN 139 LEU MDX 5.50 (# 4002:20 Unique
3.41, 6.56 A)
&rst
ixpk= 4002, nxpk= 20, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2=2119,2120,2121,2123,2124,2125,
&end
#
# 137 GLN HN 139 LEU MDX 5.50 (# 4003:20 Unique
4.69, 7.20 A)
&rst
ixpk= 4003, nxpk= 20, iat=2069, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2=2119,2120,2121,2123,2124,2125,
&end
#
# 140 GLU HN 139 LEU MDX 5.50 (# 4004:20 Unique
4.54, 5.61 A)
&rst
ixpk= 4004, nxpk= 20, iat=2129, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2=2119,2120,2121,2123,2124,2125,
&end
#
# 138 ARG HN 139 LEU MDX 5.50 (# 4005:20 Unique
3.41, 5.84 A)
&rst
ixpk= 4005, nxpk= 20, iat=2086, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2=2119,2120,2121,2123,2124,2125,
&end
#
# 36 VAL HA 139 LEU MDX 5.50 (# 4007:20 Unique
5.76, 7.78 A)
&rst
ixpk= 4007, nxpk= 20, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2=2119,2120,2121,2123,2124,2125,
&end
#
# 137 GLN HA 139 LEU MDX 5.50 (# 4008:20 Unique
4.97, 7.33 A)
&rst
ixpk= 4008, nxpk= 20, iat=2071, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2=2119,2120,2121,2123,2124,2125,
&end
#
# 136 TYR HB+ 139 LEU MDX 5.50 (# 4009:20 Unique
4.40, 6.84 A)
&rst
ixpk= 4009, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=2052,2053,
igr2=2119,2120,2121,2123,2124,2125,
&end
#
# 0 AMB 20-2:4010 139 LEU MDX 5.50 (# 4010:20 Single
Ambig)
&rst
ixpk= 4010, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4=
9.84,
igr1= 416, 417, 286, 287,
igr2=2119,2120,2121,2123,2124,2125,
&end
#
# 148 PHE HB+ 111 LEU MDX 5.50 (# 4011:20 Unique
2.98, 5.29 A)
&rst
ixpk= 4011, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=2229,2230,
igr2=1665,1666,1667,1669,1670,1671,
&end
#
# 22 LEU MDY 139 LEU MDX 2.80 (# 4012:20 Unique
2.88, 5.65 A)
&rst
ixpk= 4012, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4=
5.59,
igr1= 291, 292, 293, 295, 296, 297,
igr2=2119,2120,2121,2123,2124,2125,
&end
#
# 135 VAL HA 111 LEU MDX 5.50 (# 4013:20 Unique
3.91, 5.23 A)
&rst
ixpk= 4013, nxpk= 20, iat=2034, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2=1665,1666,1667,1669,1670,1671,
&end
#
# 127 PRO HA 126 GLN HB+ 5.50 (# 4014:20 Unique
4.27, 5.15 A)
&rst
ixpk= 4014, nxpk= 20, iat=1920, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1897,1898,
&end
#
# 127 PRO HA 126 GLN HB- 5.50 (# 4015:20 Unique
4.27, 5.15 A)
&rst
ixpk= 4015, nxpk= 20, iat=1920, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1897,1898,
&end
#
# 126 GLN HN 126 GLN HB- 4.50 (# 4016:20 Unique
2.13, 2.40 A)
&rst
ixpk= 4016, nxpk= 20, iat=1893, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1897,1898,
&end
#
# 127 PRO HD- 126 GLN HB+ 5.50 (# 4017:20 Unique
2.14, 3.37 A)
&rst
ixpk= 4017, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1911,1912,
igr2=1897,1898,
&end
#
# 127 PRO HD- 126 GLN HB- 4.50 (# 4018:20 Unique
2.14, 3.37 A)
&rst
ixpk= 4018, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1911,1912,
igr2=1897,1898,
&end
#
# 126 GLN HE2- 126 GLN HB+ 5.50 (# 4019:20 Unique
3.55, 4.50 A)
&rst
ixpk= 4019, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1905,1906,
igr2=1897,1898,
&end
#
# 126 GLN HE2- 126 GLN HB- 5.50 (# 4020:20 Unique
3.55, 4.50 A)
&rst
ixpk= 4020, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1905,1906,
igr2=1897,1898,
&end
#
# 97 LEU HN 97 LEU HG 4.50 (# 4022:20 Unique
3.74, 3.99 A)
&rst
ixpk= 4022, nxpk= 20, iat=1425,1432, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 57 ARG HN 0 AMB 20-1:4023 5.50 (# 4023:20 Single
Ambig)
&rst
ixpk= 4023, nxpk= 20, iat= 797, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr2= 804, 805, 804, 805,
&end
#
# 57 ARG HB- 0 AMB 20-1:4025 2.80 (# 4025:20 Single
Ambig)
&rst
ixpk= 4025, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4=
4.46,
igr1= 801, 802,
igr2= 804, 805, 804, 805,
&end
#
# 0 AMB 20-2:4026 0 AMB 20-1:4026 2.80 (# 4026:20 Double
Ambig)
&rst
ixpk= 4026, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4=
5.59,
igr1=1590,1591, 801, 802, 801, 802,
igr2= 804, 805, 804, 805, 804, 805,
&end
#
# 0 AMB 20-2:4028 94 LEU MDX 4.50 (# 4028:20 Single
Ambig)
&rst
ixpk= 4028, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1=1371, 128,
igr2=1380,1381,1382,1384,1385,1386,
&end
#
# 0 AMB 20-2:4029 0 AMB 20-1:4029 5.50 (# 4029:20 Double
Ambig)
&rst
ixpk= 4029, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=1492,1475,
igr2=1518,1519,1518,1519,
&end
#
# 103 GLU HN 102 LYS HG+ 5.50 (# 4030:20 Unique
2.33, 3.41 A)
&rst
ixpk= 4030, nxpk= 20, iat=1533, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1518,1519,
&end
#
# 102 LYS HN 102 LYS HG- 4.50 (# 4031:20 Unique
2.86, 3.81 A)
&rst
ixpk= 4031, nxpk= 20, iat=1511, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1518,1519,
&end
#
# 0 AMB 20-2:4032 94 LEU MDY 3.50 (# 4032:20 Single
Ambig)
&rst
ixpk= 4032, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4=
6.44,
igr1= 572, 573, 572, 573,
igr2=1380,1381,1382,1384,1385,1386,
&end
#
# 62 ASP HB- 94 LEU MDY 5.50 (# 4033:20 Unique
4.05, 6.51 A)
&rst
ixpk= 4033, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 898, 899,
igr2=1380,1381,1382,1384,1385,1386,
&end
#
# 62 ASP HB+ 94 LEU MDY 4.50 (# 4034:20 Unique
4.05, 6.51 A)
&rst
ixpk= 4034, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1= 898, 899,
igr2=1380,1381,1382,1384,1385,1386,
&end
#
# 43 PRO HD- 94 LEU MDY 5.50 (# 4035:20 Unique
2.97, 5.36 A)
&rst
ixpk= 4035, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 569, 570,
igr2=1380,1381,1382,1384,1385,1386,
&end
#
# 43 PRO HD+ 94 LEU MDY 5.50 (# 4036:20 Unique
2.97, 5.36 A)
&rst
ixpk= 4036, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 569, 570,
igr2=1380,1381,1382,1384,1385,1386,
&end
#
# 0 AMB 20-2:4037 94 LEU MDY 5.50 (# 4037:20 Single
Ambig)
&rst
ixpk= 4037, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4=
9.40,
igr1= 549,1367, 578,
igr2=1380,1381,1382,1384,1385,1386,
&end
#
# 0 AMB 20-2:4041 94 LEU MDY 5.50 (# 4041:20 Single
Ambig)
&rst
ixpk= 4041, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=1371, 128,
igr2=1380,1381,1382,1384,1385,1386,
&end
#
# 34 TRP HE1 59 LEU MDX 5.50 (# 4042:20 Unique
4.76, 7.50 A)
&rst
ixpk= 4042, nxpk= 20, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 849, 850, 851, 853, 854, 855,
&end
#
# 139 LEU MDY 61 VAL MGY 5.50 (# 4043:20 Unique
3.64, 7.39 A)
&rst
ixpk= 4043, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99,
r4=10.49,
igr1=2119,2120,2121,2123,2124,2125,
igr2= 884, 885, 886, 888, 889, 890,
&end
#
# 134 THR HB 131 ALA MB 5.50 (# 4045:20 Unique
4.10, 4.60 A)
&rst
ixpk= 4045, nxpk= 20, iat=2022, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=1981,1982,1983,
&end
#
# 0 AMB 20-2:4046 131 ALA MB 5.50 (# 4046:20 Single
Ambig)
&rst
ixpk= 4046, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1684,1728,
igr2=1981,1982,1983,
&end
#
# 73 ILE QG2 131 ALA MB 5.50 (# 4047:20 Unique
4.08, 6.26 A)
&rst
ixpk= 4047, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4=
8.43,
igr1=1041,1042,1043,
igr2=1981,1982,1983,
&end
#
# 59 LEU HA 109 ILE QG2 4.50 (# 4048:20 Unique
3.31, 4.72 A)
&rst
ixpk= 4048, nxpk= 20, iat= 842, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr2=1623,1624,1625,
&end
#
# 110 PHE HB+ 109 ILE QG2 5.50 (# 4049:20 Unique
4.81, 5.86 A)
&rst
ixpk= 4049, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1640,1641,
igr2=1623,1624,1625,
&end
#
# 44 GLU HN 42 ALA MB 5.50 (# 4050:20 Unique
4.09, 5.05 A)
&rst
ixpk= 4050, nxpk= 20, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2= 562, 563, 564,
&end
#
# 75 ILE HN 73 ILE QG2 5.50 (# 4051:20 Unique
4.60, 5.92 A)
&rst
ixpk= 4051, nxpk= 20, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=1041,1042,1043,
&end
#
# 73 ILE HA 73 ILE QD1 4.50 (# 4053:20 Unique
4.08, 4.55 A)
&rst
ixpk= 4053, nxpk= 20, iat=1037, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr2=1048,1049,1050,
&end
#
# 71 GLY HA+ 73 ILE QD1 5.50 (# 4054:20 Unique
4.78, 5.67 A)
&rst
ixpk= 4054, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1015,1016,
igr2=1048,1049,1050,
&end
#
# 135 VAL HA 73 ILE QD1 5.50 (# 4055:20 Unique
5.05, 6.24 A)
&rst
ixpk= 4055, nxpk= 20, iat=2034, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=1048,1049,1050,
&end
#
# 15 ASP HN 124 MET ME 5.50 (# 4057:20 Unique
5.39, 6.62 A)
&rst
ixpk= 4057, nxpk= 20, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=1873,1874,1875,
&end
#
# 57 ARG HN 57 ARG HA 5.50 (# 4061:20 Unique
2.89, 2.92 A)
&rst
ixpk= 4061, nxpk= 20, iat= 797, 799, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 87 MET HG- 87 MET HA 3.50 (# 4062:20 Unique
2.49, 3.20 A)
&rst
ixpk= 4062, nxpk= 20, iat= -1,1266, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1271,1272,
&end
#
# 111 LEU HN 110 PHE HA 2.80 (# 4063:20 Unique
2.24, 2.28 A)
&rst
ixpk= 4063, nxpk= 20, iat=1656,1638, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 44 GLU HA 44 GLU HG+ 3.50 (# 4064:20 Unique
2.95, 3.90 A)
&rst
ixpk= 4064, nxpk= 20, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2= 589, 590,
&end
#
# 44 GLU HA 44 GLU HG- 3.50 (# 4065:20 Unique
2.95, 3.90 A)
&rst
ixpk= 4065, nxpk= 20, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2= 589, 590,
&end
#
# 155 GLU HN 0 AMB 20-1:4066 3.50 (# 4066:20 Single
Ambig)
&rst
ixpk= 4066, nxpk= 20, iat=2332, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr2=2339,2340,2339,2340,
&end
#
# 45 ASN HN 44 GLU HG+ 3.50 (# 4067:20 Unique
2.26, 3.63 A)
&rst
ixpk= 4067, nxpk= 20, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2= 589, 590,
&end
#
# 45 ASN HN 44 GLU HG- 3.50 (# 4068:20 Unique
2.26, 3.63 A)
&rst
ixpk= 4068, nxpk= 20, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2= 589, 590,
&end
#
# 96 TYR HD 44 GLU HG+ 5.50 (# 4069:20 Unique
4.99, 7.17 A)
&rst
ixpk= 4069, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1412,1421,
igr2= 589, 590,
&end
#
# 96 TYR HD 44 GLU HG- 5.50 (# 4070:20 Unique
4.99, 7.17 A)
&rst
ixpk= 4070, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1412,1421,
igr2= 589, 590,
&end
#
# 42 ALA MB 44 GLU HG+ 5.50 (# 4071:20 Unique
3.45, 5.91 A)
&rst
ixpk= 4071, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 562, 563, 564,
igr2= 589, 590,
&end
#
# 42 ALA MB 44 GLU HG- 4.50 (# 4072:20 Unique
3.45, 5.91 A)
&rst
ixpk= 4072, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1= 562, 563, 564,
igr2= 589, 590,
&end
#
# 55 PRO HD+ 105 ILE HG1+ 5.50 (# 4073:20 Unique
2.17, 3.65 A)
&rst
ixpk= 4073, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 770, 771,
igr2=1570,1571,
&end
#
# 0 AMB 20-2:4074 0 AMB 20-1:4074 5.50 (# 4074:20 Double
Ambig)
&rst
ixpk= 4074, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 770, 771,1513,
igr2=1570,1571,1570,1571,
&end
#
# 104 ASP HB+ 105 ILE HG1+ 5.50 (# 4075:20 Unique
2.48, 4.41 A)
&rst
ixpk= 4075, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1552,1553,
igr2=1570,1571,
&end
#
# 105 ILE HN 105 ILE HG1+ 4.50 (# 4076:20 Unique
2.24, 3.01 A)
&rst
ixpk= 4076, nxpk= 20, iat=1560, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1570,1571,
&end
#
# 91 ASN HN 90 HIS HA 5.50 (# 4077:20 Unique
2.19, 2.61 A)
&rst
ixpk= 4077, nxpk= 20, iat=1326,1311, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 107 GLU HN 107 GLU HA 4.50 (# 4078:20 Unique
2.95, 2.99 A)
&rst
ixpk= 4078, nxpk= 20, iat=1586,1588, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 107 GLU HB+ 107 GLU HA 2.80 (# 4079:20 Unique
2.38, 2.78 A)
&rst
ixpk= 4079, nxpk= 20, iat= -1,1588, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1=1590,1591,
&end
#
# 0 AMB 20-2:4080 0 AMB 20-1:4080 2.80 (# 4080:20 Double
Ambig)
&rst
ixpk= 4080, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4=
4.46,
igr1=1268,1269, 164, 165,
igr2=1266, 162,
&end
#
# 12 MET HN 12 MET HA 3.50 (# 4081:20 Unique
2.97, 2.98 A)
&rst
ixpk= 4081, nxpk= 20, iat= 160, 162, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 90 HIS HB+ 90 HIS HA 3.50 (# 4082:20 Unique
2.40, 2.70 A)
&rst
ixpk= 4082, nxpk= 20, iat= -1,1311, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1313,1314,
&end
#
# 0 AMB 20-2:4083 107 GLU HA 2.80 (# 4083:20 Single
Ambig)
&rst
ixpk= 4083, nxpk= 20, iat= -1,1588, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr1=1590,1591,1605,
&end
#
# 0 AMB 20-2:4084 107 GLU HA 5.50 (# 4084:20 Single
Ambig)
&rst
ixpk= 4084, nxpk= 20, iat= -1,1588, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=1607,1608,1609,1611,1612,1613,1607,1608,1609,1611,
1612,1613,
&end
#
# 90 HIS HB- 91 ASN HA 5.50 (# 4088:20 Unique
4.09, 5.08 A)
&rst
ixpk= 4088, nxpk= 20, iat= -1,1328, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1313,1314,
&end
#
# 0 AMB 20-2:4089 0 AMB 20-1:4089 4.50 (# 4089:20 Double
Ambig)
&rst
ixpk= 4089, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1=1340,1326,
igr2=1330,1331,1330,1331,
&end
#
# 0 AMB 20-2:4090 91 ASN HB- 5.50 (# 4090:20 Single
Ambig)
&rst
ixpk= 4090, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1281,1247,
igr2=1330,1331,
&end
#
# 86 MET HA 91 ASN HB- 5.50 (# 4091:20 Unique
2.09, 2.64 A)
&rst
ixpk= 4091, nxpk= 20, iat=1249, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1330,1331,
&end
#
# 121 TYR HB+ 120 PHE HB+ 5.50 (# 4092:20 Unique
3.64, 5.07 A)
&rst
ixpk= 4092, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1810,1811,
igr2=1790,1791,
&end
#
# 0 AMB 20-2:4093 0 AMB 20-1:4093 3.50 (# 4093:20 Double
Ambig)
&rst
ixpk= 4093, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1808, 153, 154, 151, 584,1373,
igr2= 162, 599,1342,
&end
#
# 115 PRO HD- 65 ASP HA 4.50 (# 4094:20 Unique
2.09, 2.81 A)
&rst
ixpk= 4094, nxpk= 20, iat= -1, 932, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1719,1720,
&end
#
# 88 THR MG2 87 MET HA 5.50 (# 4095:20 Unique
5.13, 6.23 A)
&rst
ixpk= 4095, nxpk= 20, iat= -1,1266, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1287,1288,1289,
&end
#
# 96 TYR HD 93 PRO HA 5.50 (# 4096:20 Unique
4.59, 6.87 A)
&rst
ixpk= 4096, nxpk= 20, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1412,1421,
&end
#
# 93 PRO HD- 93 PRO HA 5.50 (# 4097:20 Unique
3.51, 3.84 A)
&rst
ixpk= 4097, nxpk= 20, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1358,1359,
&end
#
# 93 PRO HD+ 93 PRO HA 5.50 (# 4098:20 Unique
3.51, 3.84 A)
&rst
ixpk= 4098, nxpk= 20, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1358,1359,
&end
#
# 94 LEU HG 93 PRO HA 5.50 (# 4099:20 Unique
4.70, 5.34 A)
&rst
ixpk= 4099, nxpk= 20, iat=1378,1367, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 94 LEU MDY 93 PRO HA 5.50 (# 4100:20 Unique
5.79, 7.15 A)
&rst
ixpk= 4100, nxpk= 20, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1380,1381,1382,1384,1385,1386,
&end
#
# 96 TYR HN 93 PRO HB+ 5.50 (# 4101:20 Unique
3.30, 4.62 A)
&rst
ixpk= 4101, nxpk= 20, iat=1404, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1364,1365,
&end
#
# 94 LEU HN 93 PRO HB+ 5.50 (# 4102:20 Unique
4.34, 4.56 A)
&rst
ixpk= 4102, nxpk= 20, iat=1371, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1364,1365,
&end
#
# 0 AMB 20-2:4103 0 AMB 20-1:4103 5.50 (# 4103:20 Double
Ambig)
&rst
ixpk= 4103, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=1390,1340,
igr2=1364,1365,1364,1365,
&end
#
# 96 TYR HD 93 PRO HB+ 5.50 (# 4104:20 Unique
2.80, 6.31 A)
&rst
ixpk= 4104, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1412,1421,
igr2=1364,1365,
&end
#
# 95 ASN HD2+ 93 PRO HB+ 5.50 (# 4105:20 Unique
2.34, 3.69 A)
&rst
ixpk= 4105, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1399,1400,
igr2=1364,1365,
&end
#
# 96 TYR HN 93 PRO HB- 4.50 (# 4106:20 Unique
3.30, 4.62 A)
&rst
ixpk= 4106, nxpk= 20, iat=1404, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1364,1365,
&end
#
# 120 PHE HD 12 MET HB- 5.50 (# 4107:20 Unique
4.98, 7.42 A)
&rst
ixpk= 4107, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1794,1802,
igr2= 164, 165,
&end
#
# 93 PRO HA 93 PRO HB- 3.50 (# 4108:20 Unique
2.30, 2.54 A)
&rst
ixpk= 4108, nxpk= 20, iat=1367, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1364,1365,
&end
#
# 93 PRO HD- 93 PRO HB- 3.50 (# 4109:20 Unique
2.75, 3.66 A)
&rst
ixpk= 4109, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1358,1359,
igr2=1364,1365,
&end
#
# 0 AMB 20-2:4110 0 AMB 20-1:4110 3.50 (# 4110:20 Double
Ambig)
&rst
ixpk= 4110, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4=
6.06,
igr1=1358,1359, 153, 154,
igr2=1364,1365, 164, 165,
&end
#
# 0 AMB 20-2:4111 0 AMB 20-1:4111 5.50 (# 4111:20 Double
Ambig)
&rst
ixpk= 4111, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4=
9.23,
igr1=1408,1409,1408,1409,
igr2=1364,1365,1364,1365,
&end
#
# 0 AMB 20-2:4112 93 PRO HB- 4.50 (# 4112:20 Single
Ambig)
&rst
ixpk= 4112, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1=1408,1409,1408,1409,
igr2=1364,1365,
&end
#
# 96 TYR HN 0 AMB 20-1:4113 5.50 (# 4113:20 Single
Ambig)
&rst
ixpk= 4113, nxpk= 20, iat=1404, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr2=1361,1362,1361,1362,
&end
#
# 86 MET HB- 93 PRO HD+ 4.50 (# 4114:20 Unique
3.72, 6.03 A)
&rst
ixpk= 4114, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1251,1252,
igr2=1358,1359,
&end
#
# 94 LEU HN 94 LEU HA 3.50 (# 4115:20 Unique
2.64, 2.72 A)
&rst
ixpk= 4115, nxpk= 20, iat=1371,1373, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 98 ILE HN 94 LEU HA 5.50 (# 4116:20 Unique
4.35, 5.06 A)
&rst
ixpk= 4116, nxpk= 20, iat=1444,1373, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 94 LEU HN 94 LEU HB+ 3.50 (# 4117:20 Unique
2.02, 2.84 A)
&rst
ixpk= 4117, nxpk= 20, iat=1371, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1375,1376,
&end
#
# 94 LEU HN 94 LEU HB- 4.50 (# 4118:20 Unique
2.02, 2.84 A)
&rst
ixpk= 4118, nxpk= 20, iat=1371, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1375,1376,
&end
#
# 0 AMB 20-2:4119 0 AMB 20-1:4119 4.50 (# 4119:20 Double
Ambig)
&rst
ixpk= 4119, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1=1390,1340,
igr2=1375,1376,1375,1376,
&end
#
# 0 AMB 20-2:4120 94 LEU HB- 4.50 (# 4120:20 Single
Ambig)
&rst
ixpk= 4120, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1390,1340,
igr2=1375,1376,
&end
#
# 0 AMB 20-2:4121 0 AMB 20-1:4121 5.50 (# 4121:20 Double
Ambig)
&rst
ixpk= 4121, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=1227,1185,
igr2=1375,1376,1375,1376,
&end
#
# 0 AMB 20-2:4122 94 LEU HB- 5.50 (# 4122:20 Single
Ambig)
&rst
ixpk= 4122, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1227,1185,
igr2=1375,1376,
&end
#
# 93 PRO HA 94 LEU HB+ 5.50 (# 4123:20 Unique
4.31, 5.19 A)
&rst
ixpk= 4123, nxpk= 20, iat=1367, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1375,1376,
&end
#
# 93 PRO HA 94 LEU HB- 5.50 (# 4124:20 Unique
4.31, 5.19 A)
&rst
ixpk= 4124, nxpk= 20, iat=1367, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1375,1376,
&end
#
# 0 AMB 20-2:4126 0 AMB 20-1:4126 3.50 (# 4126:20 Double
Ambig)
&rst
ixpk= 4126, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1=1638, 861,
igr2= 869, 870, 869, 870,
&end
#
# 145 ASN HB+ 75 ILE HG1- 4.50 (# 4127:20 Unique
2.06, 4.09 A)
&rst
ixpk= 4127, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=2201,2202,
igr2=1088,1089,
&end
#
# 145 ASN HB+ 75 ILE HG1+ 4.50 (# 4128:20 Unique
2.06, 4.09 A)
&rst
ixpk= 4128, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=2201,2202,
igr2=1088,1089,
&end
#
# 74 ARG HA 75 ILE HG1- 4.50 (# 4129:20 Unique
3.78, 4.77 A)
&rst
ixpk= 4129, nxpk= 20, iat=1056, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1088,1089,
&end
#
# 74 ARG HA 0 AMB 20-1:4130 4.50 (# 4130:20 Single
Ambig)
&rst
ixpk= 4130, nxpk= 20, iat=1056, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr2=1061,1062,1088,1089,
&end
#
# 93 PRO HD- 94 LEU HG 5.50 (# 4131:20 Unique
5.14, 5.99 A)
&rst
ixpk= 4131, nxpk= 20, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1358,1359,
&end
#
# 0 AMB 20-2:4132 0 AMB 20-1:4132 5.50 (# 4132:20 Double
Ambig)
&rst
ixpk= 4132, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1= 644, 625,
igr2= 694, 695, 694, 695,
&end
#
# 55 PRO HD+ 105 ILE HG1- 4.50 (# 4133:20 Unique
2.17, 3.65 A)
&rst
ixpk= 4133, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 770, 771,
igr2=1570,1571,
&end
#
# 47 ILE HA 97 LEU HG 5.50 (# 4134:20 Unique
4.67, 5.58 A)
&rst
ixpk= 4134, nxpk= 20, iat= 625,1432, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 104 ASP HB+ 105 ILE HG1- 4.50 (# 4135:20 Unique
2.48, 4.41 A)
&rst
ixpk= 4135, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1552,1553,
igr2=1570,1571,
&end
#
# 0 AMB 20-2:4136 94 LEU MDX 2.80 (# 4136:20 Single
Ambig)
&rst
ixpk= 4136, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4=
5.26,
igr1= 572, 573, 572, 573,
igr2=1380,1381,1382,1384,1385,1386,
&end
#
# 59 LEU HN 5 LEU HA 4.50 (# 4137:20 Unique
2.59, 2.80 A)
&rst
ixpk= 4137, nxpk= 20, iat= 840, 65, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 58 LEU HA 5 LEU HA 4.50 (# 4138:20 Unique
4.19, 4.39 A)
&rst
ixpk= 4138, nxpk= 20, iat= 823, 65, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 20-2:4139 3 ASP HA 4.50 (# 4139:20 Single
Ambig)
&rst
ixpk= 4139, nxpk= 20, iat= -1, 37, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 801, 802, 776, 777,
&end
#
# 36 VAL HN 4 VAL HA 5.50 (# 4141:20 Unique
4.93, 5.24 A)
&rst
ixpk= 4141, nxpk= 20, iat= 486, 49, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 35 VAL HN 4 VAL HB 5.50 (# 4142:20 Unique
5.17, 5.41 A)
&rst
ixpk= 4142, nxpk= 20, iat= 470, 51, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 34 TRP HB- 5 LEU HB+ 5.50 (# 4143:20 Unique
2.31, 3.41 A)
&rst
ixpk= 4143, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 450, 451,
igr2= 67, 68,
&end
#
# 5 LEU HG 5 LEU HB+ 4.50 (# 4144:20 Unique
2.32, 2.74 A)
&rst
ixpk= 4144, nxpk= 20, iat= 70, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 67, 68,
&end
#
# 59 LEU MDX 5 LEU HB- 5.50 (# 4145:20 Unique
3.47, 6.68 A)
&rst
ixpk= 4145, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 849, 850, 851, 853, 854, 855,
igr2= 67, 68,
&end
#
# 37 ILE HN 5 LEU MDX 5.50 (# 4146:20 Unique
2.93, 5.49 A)
&rst
ixpk= 4146, nxpk= 20, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 72, 73, 74, 76, 77, 78,
&end
#
# 0 AMB 20-2:4147 6 LEU HB- 3.50 (# 4147:20 Single
Ambig)
&rst
ixpk= 4147, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4=
6.44,
igr1= 830, 831, 832, 834, 835, 836, 91, 92, 93, 95,
96, 97,
igr2= 86, 87,
&end
#
# 0 AMB 20-2:4148 0 AMB 20-1:4148 5.50 (# 4148:20 Double
Ambig)
&rst
ixpk= 4148, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1= 506,1499,
igr2= 86, 87, 86, 87,
&end
#
# 82 ALA HN 81 ILE HG1- 5.50 (# 4149:20 Unique
4.22, 4.66 A)
&rst
ixpk= 4149, nxpk= 20, iat=1185, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1176,1177,
&end
#
# 98 ILE HN 97 LEU MDY 5.50 (# 4150:20 Unique
3.06, 4.85 A)
&rst
ixpk= 4150, nxpk= 20, iat=1444, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2=1434,1435,1436,1438,1439,1440,
&end
#
# 43 PRO HA 6 LEU MDX 4.50 (# 4151:20 Unique
3.30, 4.76 A)
&rst
ixpk= 4151, nxpk= 20, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr2= 91, 92, 93, 95, 96, 97,
&end
#
# 136 TYR HN 135 VAL MGX 4.50 (# 4153:20 Unique
2.38, 4.23 A)
&rst
ixpk= 4153, nxpk= 20, iat=2048, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr2=2038,2039,2040,2042,2043,2044,
&end
#
# 0 AMB 20-2:4155 108 VAL MGX 4.50 (# 4155:20 Single
Ambig)
&rst
ixpk= 4155, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1=1586,1560,
igr2=1607,1608,1609,1611,1612,1613,
&end
#
# 0 AMB 20-2:4156 0 AMB 20-1:4156 5.50 (# 4156:20 Double
Ambig)
&rst
ixpk= 4156, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1= 301, 282,
igr2= 105, 106, 105, 106,
&end
#
# 19 GLY HA+ 7 CYS HB- 4.50 (# 4157:20 Unique
2.67, 3.76 A)
&rst
ixpk= 4157, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 244, 245,
igr2= 105, 106,
&end
#
# 19 GLY HA- 7 CYS HB+ 5.50 (# 4158:20 Unique
2.67, 3.76 A)
&rst
ixpk= 4158, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 244, 245,
igr2= 105, 106,
&end
#
# 19 GLY HA- 7 CYS HB- 5.50 (# 4159:20 Unique
2.67, 3.76 A)
&rst
ixpk= 4159, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 244, 245,
igr2= 105, 106,
&end
#
# 23 ALA MB 7 CYS HB- 3.50 (# 4160:20 Unique
2.21, 3.42 A)
&rst
ixpk= 4160, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 305, 306, 307,
igr2= 105, 106,
&end
#
# 0 AMB 20-2:4161 7 CYS HB- 5.50 (# 4161:20 Single
Ambig)
&rst
ixpk= 4161, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99,
r4=10.49,
igr1= 291, 292, 293, 295, 296, 297, 91, 92, 93, 95,
96, 97, 492, 493, 494, 496, 497, 498,
igr2= 105, 106,
&end
#
# 6 LEU HG 8 VAL HA 5.50 (# 4162:20 Unique
4.27, 4.51 A)
&rst
ixpk= 4162, nxpk= 20, iat= 89, 114, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 40 GLY HN 8 VAL MGX 5.50 (# 4164:20 Unique
3.82, 5.81 A)
&rst
ixpk= 4164, nxpk= 20, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 118, 119, 120, 122, 123, 124,
&end
#
# 62 ASP HB+ 8 VAL MGX 3.50 (# 4165:20 Unique
2.64, 4.83 A)
&rst
ixpk= 4165, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1= 898, 899,
igr2= 118, 119, 120, 122, 123, 124,
&end
#
# 73 ILE QG2 135 VAL MGX 5.50 (# 4166:20 Unique
2.26, 5.02 A)
&rst
ixpk= 4166, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4=
9.40,
igr1=1041,1042,1043,
igr2=2038,2039,2040,2042,2043,2044,
&end
#
# 46 ASP HB+ 8 VAL MGX 5.50 (# 4167:20 Unique
5.53, 7.77 A)
&rst
ixpk= 4167, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 615, 616,
igr2= 118, 119, 120, 122, 123, 124,
&end
#
# 19 GLY HA+ 8 VAL MGX 5.50 (# 4168:20 Unique
4.88, 6.56 A)
&rst
ixpk= 4168, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 244, 245,
igr2= 118, 119, 120, 122, 123, 124,
&end
#
# 39 GLY HA- 8 VAL MGX 5.50 (# 4169:20 Unique
2.81, 5.83 A)
&rst
ixpk= 4169, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 535, 536,
igr2= 118, 119, 120, 122, 123, 124,
&end
#
# 8 VAL MGY 9 GLY HA+ 5.50 (# 4170:20 Unique
3.20, 5.76 A)
&rst
ixpk= 4170, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 118, 119, 120, 122, 123, 124,
igr2= 130, 131,
&end
#
# 13 MET HN 10 ASN HB+ 5.50 (# 4171:20 Unique
3.26, 4.33 A)
&rst
ixpk= 4171, nxpk= 20, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 139, 140,
&end
#
# 12 MET HA 11 SER HB+ 5.50 (# 4172:20 Unique
4.34, 4.73 A)
&rst
ixpk= 4172, nxpk= 20, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 153, 154,
&end
#
# 12 MET HA 11 SER HB- 5.50 (# 4173:20 Unique
4.34, 4.73 A)
&rst
ixpk= 4173, nxpk= 20, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 153, 154,
&end
#
# 12 MET HN 11 SER HB+ 4.50 (# 4174:20 Unique
3.16, 3.80 A)
&rst
ixpk= 4174, nxpk= 20, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 153, 154,
&end
#
# 48 VAL MGY 45 ASN HA 4.50 (# 4175:20 Unique
4.75, 7.02 A)
&rst
ixpk= 4175, nxpk= 20, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1= 648, 649, 650, 652, 653, 654,
&end
#
# 48 VAL MGX 45 ASN HA 5.50 (# 4176:20 Unique
4.75, 7.02 A)
&rst
ixpk= 4176, nxpk= 20, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 648, 649, 650, 652, 653, 654,
&end
#
# 114 GLN HN 114 GLN HG- 5.50 (# 4177:20 Unique
4.48, 4.54 A)
&rst
ixpk= 4177, nxpk= 20, iat=1701, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1708,1709,
&end
#
# 71 GLY HN 114 GLN HG- 5.50 (# 4178:20 Unique
3.74, 4.15 A)
&rst
ixpk= 4178, nxpk= 20, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1708,1709,
&end
#
# 12 MET HN 12 MET HB+ 4.50 (# 4179:20 Unique
2.97, 3.35 A)
&rst
ixpk= 4179, nxpk= 20, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 164, 165,
&end
#
# 57 ARG HA 107 GLU HB- 5.50 (# 4180:20 Unique
3.34, 4.09 A)
&rst
ixpk= 4180, nxpk= 20, iat= 799, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1590,1591,
&end
#
# 107 GLU HA 107 GLU HB- 2.80 (# 4182:20 Unique
2.38, 2.78 A)
&rst
ixpk= 4182, nxpk= 20, iat=1588, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr2=1590,1591,
&end
#
# 0 AMB 20-2:4183 0 AMB 20-1:4183 5.50 (# 4183:20 Double
Ambig)
&rst
ixpk= 4183, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4=
9.40,
igr1=1281,1247,1227,
igr2=1271,1272,1271,1272,1271,1272,
&end
#
# 13 MET HN 12 MET HG+ 5.50 (# 4184:20 Unique
3.03, 3.56 A)
&rst
ixpk= 4184, nxpk= 20, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 167, 168,
&end
#
# 120 PHE HA 14 GLY HA+ 5.50 (# 4186:20 Unique
5.96, 6.19 A)
&rst
ixpk= 4186, nxpk= 20, iat=1788, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 196, 197,
&end
#
# 0 AMB 20-2:4187 0 AMB 20-1:4187 3.50 (# 4187:20 Double
Ambig)
&rst
ixpk= 4187, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1=1930,1931,1932,1769,1770,1771,1773,1774,1775,
igr2= 205, 206, 205, 206,
&end
#
# 118 VAL MGX 16 ASP HB- 4.50 (# 4188:20 Unique
2.33, 4.02 A)
&rst
ixpk= 4188, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1=1769,1770,1771,1773,1774,1775,
igr2= 217, 218,
&end
#
# 118 VAL MGX 16 ASP HB+ 4.50 (# 4189:20 Unique
2.33, 4.02 A)
&rst
ixpk= 4189, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1=1769,1770,1771,1773,1774,1775,
igr2= 217, 218,
&end
#
# 16 ASP HN 0 AMB 20-1:4190 5.50 (# 4190:20 Single
Ambig)
&rst
ixpk= 4190, nxpk= 20, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr2= 227, 228, 227, 228,
&end
#
# 0 AMB 20-2:4191 18 ALA HA 5.50 (# 4191:20 Single
Ambig)
&rst
ixpk= 4191, nxpk= 20, iat= -1, 234, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1866,1867,1981,1982,1983, 882,
&end
#
# 132 VAL MGX 18 ALA HA 5.50 (# 4192:20 Unique
2.15, 3.66 A)
&rst
ixpk= 4192, nxpk= 20, iat= -1, 234, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1993,1994,1995,1997,1998,1999,
&end
#
# 120 PHE HA 12 MET HG- 3.50 (# 4193:20 Unique
3.29, 4.44 A)
&rst
ixpk= 4193, nxpk= 20, iat=1788, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2= 167, 168,
&end
#
# 11 SER HB- 20 PRO HB- 5.50 (# 4194:20 Unique
2.77, 3.69 A)
&rst
ixpk= 4194, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 153, 154,
igr2= 256, 257,
&end
#
# 0 AMB 20-2:4195 0 AMB 20-1:4195 5.50 (# 4195:20 Double
Ambig)
&rst
ixpk= 4195, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4=
9.23,
igr1= 227, 228, 227, 228,
igr2= 256, 257, 256, 257,
&end
#
# 0 AMB 20-2:4196 0 AMB 20-1:4196 4.50 (# 4196:20 Double
Ambig)
&rst
ixpk= 4196, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 267, 268, 305, 306, 307,
igr2= 256, 257, 256, 257,
&end
#
# 23 ALA MB 20 PRO HB- 4.50 (# 4197:20 Unique
4.11, 5.66 A)
&rst
ixpk= 4197, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1= 305, 306, 307,
igr2= 256, 257,
&end
#
# 0 AMB 20-2:4198 0 AMB 20-1:4198 4.50 (# 4198:20 Double
Ambig)
&rst
ixpk= 4198, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1= 135, 745, 263,
igr2= 253, 254, 773, 774,
&end
#
# 124 MET ME 21 LEU HB+ 4.50 (# 4199:20 Unique
2.21, 3.29 A)
&rst
ixpk= 4199, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1873,1874,1875,
igr2= 267, 268,
&end
#
# 7 CYS HN 6 LEU HG 5.50 (# 4200:20 Unique
3.41, 3.68 A)
&rst
ixpk= 4200, nxpk= 20, iat= 101, 89, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 20-2:4201 113 ILE HG1- 5.50 (# 4201:20 Single
Ambig)
&rst
ixpk= 4201, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1035, 916,
igr2=1692,1693,
&end
#
# 124 MET HA 124 MET HB+ 3.50 (# 4202:20 Unique
2.46, 2.77 A)
&rst
ixpk= 4202, nxpk= 20, iat=1864, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1866,1867,
&end
#
# 129 LYS HE+ 21 LEU MDX 5.50 (# 4203:20 Unique
2.77, 4.48 A)
&rst
ixpk= 4203, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=1956,1957,
igr2= 272, 273, 274, 276, 277, 278,
&end
#
# 59 LEU MDX 135 VAL MGX 5.50 (# 4204:20 Unique
3.42, 6.54 A)
&rst
ixpk= 4204, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99,
r4=10.49,
igr1= 849, 850, 851, 853, 854, 855,
igr2=2038,2039,2040,2042,2043,2044,
&end
#
# 139 LEU HN 137 GLN HA 4.50 (# 4205:20 Unique
4.01, 4.23 A)
&rst
ixpk= 4205, nxpk= 20, iat=2110,2071, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 20-2:4206 137 GLN HA 4.50 (# 4206:20 Single
Ambig)
&rst
ixpk= 4206, nxpk= 20, iat= -1,2071, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 413, 414, 407, 408,
&end
#
# 25 LYS HB+ 22 LEU HA 3.50 (# 4207:20 Unique
2.63, 3.56 A)
&rst
ixpk= 4207, nxpk= 20, iat= -1, 284, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 330, 331,
&end
#
# 145 ASN HD2- 75 ILE HG1+ 5.50 (# 4208:20 Unique
2.51, 3.44 A)
&rst
ixpk= 4208, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2206,2207,
igr2=1088,1089,
&end
#
# 145 ASN HD2- 75 ILE HG1- 4.50 (# 4209:20 Unique
2.51, 3.44 A)
&rst
ixpk= 4209, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=2206,2207,
igr2=1088,1089,
&end
#
# 61 VAL HA 22 LEU MDX 5.50 (# 4210:20 Unique
4.98, 6.80 A)
&rst
ixpk= 4210, nxpk= 20, iat= 880, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 291, 292, 293, 295, 296, 297,
&end
#
# 22 LEU HB- 22 LEU MDX 2.80 (# 4211:20 Unique
2.23, 3.25 A)
&rst
ixpk= 4211, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4=
4.74,
igr1= 286, 287,
igr2= 291, 292, 293, 295, 296, 297,
&end
#
# 5 LEU MDY 22 LEU MDY 5.50 (# 4212:20 Unique
2.17, 4.49 A)
&rst
ixpk= 4212, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99,
r4=10.49,
igr1= 72, 73, 74, 76, 77, 78,
igr2= 291, 292, 293, 295, 296, 297,
&end
#
# 139 LEU HN 22 LEU MDY 5.50 (# 4214:20 Unique
5.43, 7.07 A)
&rst
ixpk= 4214, nxpk= 20, iat=2110, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 291, 292, 293, 295, 296, 297,
&end
#
# 0 AMB 20-2:4215 23 ALA HA 5.50 (# 4215:20 Single
Ambig)
&rst
ixpk= 4215, nxpk= 20, iat= -1, 303, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 286, 287, 256, 257,
&end
#
# 38 ASP HB- 23 ALA MB 3.50 (# 4216:20 Unique
2.32, 3.76 A)
&rst
ixpk= 4216, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 525, 526,
igr2= 305, 306, 307,
&end
#
# 20 PRO HB+ 23 ALA MB 4.50 (# 4217:20 Unique
4.11, 5.66 A)
&rst
ixpk= 4217, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1= 256, 257,
igr2= 305, 306, 307,
&end
#
# 7 CYS HB- 23 ALA MB 3.50 (# 4218:20 Unique
2.21, 3.42 A)
&rst
ixpk= 4218, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 105, 106,
igr2= 305, 306, 307,
&end
#
# 0 AMB 20-2:4221 0 AMB 20-1:4221 3.50 (# 4221:20 Double
Ambig)
&rst
ixpk= 4221, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4=
7.17,
igr1= 648, 649, 650, 652, 653, 654, 735, 736, 737, 739,
740, 741,
igr2= 718, 719, 718, 719,
&end
#
# 0 AMB 20-2:4222 0 AMB 20-1:4222 2.80 (# 4222:20 Double
Ambig)
&rst
ixpk= 4222, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4=
5.59,
igr1=1518,1519, 407, 408,1061,1062,
igr2=1540,1541,2136,2137,2324,2325,
&end
#
# 49 ALA MB 52 GLU HG+ 4.50 (# 4223:20 Unique
4.11, 6.07 A)
&rst
ixpk= 4223, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1= 662, 663, 664,
igr2= 718, 719,
&end
#
# 136 TYR HB- 25 LYS HB- 5.50 (# 4225:20 Unique
2.80, 3.95 A)
&rst
ixpk= 4225, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2052,2053,
igr2= 330, 331,
&end
#
# 0 AMB 20-2:4226 0 AMB 20-1:4226 5.50 (# 4226:20 Double
Ambig)
&rst
ixpk= 4226, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70,
r4=10.20,
igr1=1991, 315, 316, 315, 316,
igr2= 336, 337, 336, 337, 336, 337,
&end
#
# 0 AMB 20-2:4227 0 AMB 20-1:4227 4.50 (# 4227:20 Double
Ambig)
&rst
ixpk= 4227, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4=
9.68,
igr1= 363, 364, 365, 330, 331, 407, 408, 333, 334,
igr2= 352, 353, 352, 353, 352, 353, 352, 353,
&end
#
# 29 ALA HN 27 ALA HA 4.50 (# 4228:20 Unique
4.17, 4.35 A)
&rst
ixpk= 4228, nxpk= 20, iat= 379, 361, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 27 ALA HN 27 ALA HA 2.80 (# 4229:20 Unique
2.81, 2.82 A)
&rst
ixpk= 4229, nxpk= 20, iat= 359, 361, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 26 CYS HB+ 27 ALA HA 5.50 (# 4230:20 Unique
4.19, 4.49 A)
&rst
ixpk= 4230, nxpk= 20, iat= -1, 361, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 352, 353,
&end
#
# 0 AMB 20-2:4231 49 ALA MB 4.50 (# 4231:20 Single
Ambig)
&rst
ixpk= 4231, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4=
8.68,
igr1= 735, 736, 737, 739, 740, 741, 735, 736, 737, 739,
740, 741,
igr2= 662, 663, 664,
&end
#
# 29 ALA HN 28 ALA MB 2.80 (# 4232:20 Unique
2.69, 3.57 A)
&rst
ixpk= 4232, nxpk= 20, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr2= 373, 374, 375,
&end
#
# 114 GLN HE2+ 114 GLN HG- 4.50 (# 4233:20 Unique
2.23, 3.28 A)
&rst
ixpk= 4233, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1713,1714,
igr2=1708,1709,
&end
#
# 137 GLN HA 31 LYS HB+ 5.50 (# 4234:20 Unique
4.21, 5.73 A)
&rst
ixpk= 4234, nxpk= 20, iat=2071, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 407, 408,
&end
#
# 137 GLN HA 31 LYS HB- 5.50 (# 4235:20 Unique
4.21, 5.73 A)
&rst
ixpk= 4235, nxpk= 20, iat=2071, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 407, 408,
&end
#
# 31 LYS HE- 31 LYS HB- 5.50 (# 4236:20 Unique
2.62, 4.44 A)
&rst
ixpk= 4236, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 416, 417,
igr2= 407, 408,
&end
#
# 0 AMB 20-2:4237 31 LYS HG- 4.50 (# 4237:20 Single
Ambig)
&rst
ixpk= 4237, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=2117,2133,2134,
igr2= 410, 411,
&end
#
# 0 AMB 20-2:4238 151 LEU MDY 2.80 (# 4238:20 Single
Ambig)
&rst
ixpk= 4238, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4=
5.26,
igr1=1214,1215,2321,2322,
igr2=2281,2282,2283,2285,2286,2287,
&end
#
# 140 GLU HB- 31 LYS HG+ 4.50 (# 4239:20 Unique
3.89, 5.82 A)
&rst
ixpk= 4239, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=2133,2134,
igr2= 410, 411,
&end
#
# 139 LEU HB+ 31 LYS HB+ 4.50 (# 4241:20 Unique
2.15, 2.70 A)
&rst
ixpk= 4241, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=2114,2115,
igr2= 407, 408,
&end
#
# 139 LEU HB+ 31 LYS HB- 5.50 (# 4242:20 Unique
2.15, 2.70 A)
&rst
ixpk= 4242, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2114,2115,
igr2= 407, 408,
&end
#
# 0 AMB 20-2:4243 0 AMB 20-1:4243 4.50 (# 4243:20 Double
Ambig)
&rst
ixpk= 4243, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4=
7.64,
igr1= 410, 411,2114,2115,
igr2= 416, 417, 416, 417,
&end
#
# 33 ASN HB- 33 ASN HA 2.80 (# 4244:20 Unique
2.20, 2.72 A)
&rst
ixpk= 4244, nxpk= 20, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1= 436, 437,
&end
#
# 34 TRP HN 33 ASN HA 4.50 (# 4245:20 Unique
2.65, 3.08 A)
&rst
ixpk= 4245, nxpk= 20, iat= 446, 434, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 14 GLY HN 122 TYR HB+ 5.50 (# 4246:20 Unique
2.82, 3.64 A)
&rst
ixpk= 4246, nxpk= 20, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1831,1832,
&end
#
# 37 ILE HB 37 ILE HA 3.50 (# 4247:20 Unique
3.03, 3.04 A)
&rst
ixpk= 4247, nxpk= 20, iat= 506, 504, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 38 ASP HB- 37 ILE HA 4.50 (# 4248:20 Unique
4.18, 4.60 A)
&rst
ixpk= 4248, nxpk= 20, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 525, 526,
&end
#
# 0 AMB 20-2:4249 0 AMB 20-1:4249 2.80 (# 4249:20 Double
Ambig)
&rst
ixpk= 4249, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4=
6.04,
igr1= 91, 92, 93, 95, 96, 97, 515, 516, 517, 508,
509, 510,
igr2= 89, 512, 513, 512, 513,
&end
#
# 117 ILE HA 117 ILE QG2 3.50 (# 4250:20 Unique
2.49, 3.39 A)
&rst
ixpk= 4250, nxpk= 20, iat=1746, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr2=1750,1751,1752,
&end
#
# 0 AMB 20-2:4251 98 ILE QD1 5.50 (# 4251:20 Single
Ambig)
&rst
ixpk= 4251, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1638,1603,
igr2=1457,1458,1459,
&end
#
# 123 PRO HD- 117 ILE QG2 5.50 (# 4252:20 Unique
5.14, 7.90 A)
&rst
ixpk= 4252, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1849,1850,
igr2=1750,1751,1752,
&end
#
# 127 PRO HD- 117 ILE QG2 5.50 (# 4253:20 Unique
6.02, 7.86 A)
&rst
ixpk= 4253, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1911,1912,
igr2=1750,1751,1752,
&end
#
# 0 AMB 20-2:4254 117 ILE QG2 5.50 (# 4254:20 Single
Ambig)
&rst
ixpk= 4254, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1881,1765,
igr2=1750,1751,1752,
&end
#
# 122 TYR HB+ 117 ILE QG2 5.50 (# 4255:20 Unique
4.54, 7.02 A)
&rst
ixpk= 4255, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1831,1832,
igr2=1750,1751,1752,
&end
#
# 0 AMB 20-2:4256 117 ILE QG2 5.50 (# 4256:20 Single
Ambig)
&rst
ixpk= 4256, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 205, 206,1831,1832,
igr2=1750,1751,1752,
&end
#
# 117 ILE HG1+ 117 ILE QG2 2.80 (# 4257:20 Unique
2.19, 3.11 A)
&rst
ixpk= 4257, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1=1754,1755,
igr2=1750,1751,1752,
&end
#
# 117 ILE HB 117 ILE QG2 2.80 (# 4258:20 Unique
2.38, 2.63 A)
&rst
ixpk= 4258, nxpk= 20, iat=1748, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr2=1750,1751,1752,
&end
#
# 117 ILE HG1- 117 ILE QG2 2.80 (# 4259:20 Unique
2.19, 3.11 A)
&rst
ixpk= 4259, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1=1754,1755,
igr2=1750,1751,1752,
&end
#
# 64 THR MG2 76 ILE QD1 2.80 (# 4260:20 Unique
2.42, 3.67 A)
&rst
ixpk= 4260, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4=
4.54,
igr1= 922, 923, 924,
igr2=1110,1111,1112,
&end
#
# 0 AMB 20-2:4261 37 ILE QG2 3.50 (# 4261:20 Single
Ambig)
&rst
ixpk= 4261, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4=
6.31,
igr1= 86, 87, 51, 672, 733, 575, 576,
igr2= 508, 509, 510,
&end
#
# 7 CYS HB+ 38 ASP HA 3.50 (# 4262:20 Unique
2.03, 2.98 A)
&rst
ixpk= 4262, nxpk= 20, iat= -1, 523, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 105, 106,
&end
#
# 0 AMB 20-2:4264 0 AMB 20-1:4264 5.50 (# 4264:20 Double
Ambig)
&rst
ixpk= 4264, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49,
r4=10.99,
igr1= 492, 493, 494, 496, 497, 498, 91, 92, 93, 95,
96, 97,
igr2= 525, 526, 525, 526,
&end
#
# 37 ILE QG2 38 ASP HB+ 4.50 (# 4265:20 Unique
5.02, 5.98 A)
&rst
ixpk= 4265, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1= 508, 509, 510,
igr2= 525, 526,
&end
#
# 139 LEU MDX 136 TYR HB- 5.50 (# 4266:20 Unique
4.40, 6.84 A)
&rst
ixpk= 4266, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=2119,2120,2121,2123,2124,2125,
igr2=2052,2053,
&end
#
# 8 VAL MGY 39 GLY HA+ 5.50 (# 4267:20 Unique
2.81, 5.83 A)
&rst
ixpk= 4267, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 118, 119, 120, 122, 123, 124,
igr2= 535, 536,
&end
#
# 8 VAL MGY 39 GLY HA- 5.50 (# 4268:20 Unique
2.81, 5.83 A)
&rst
ixpk= 4268, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 118, 119, 120, 122, 123, 124,
igr2= 535, 536,
&end
#
# 6 LEU HG 39 GLY HA- 5.50 (# 4269:20 Unique
3.80, 4.98 A)
&rst
ixpk= 4269, nxpk= 20, iat= 89, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 535, 536,
&end
#
# 6 LEU HG 39 GLY HA+ 5.50 (# 4270:20 Unique
3.80, 4.98 A)
&rst
ixpk= 4270, nxpk= 20, iat= 89, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 535, 536,
&end
#
# 33 ASN HB- 0 AMB 20-1:4271 5.50 (# 4271:20 Single
Ambig)
&rst
ixpk= 4271, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1= 436, 437,
igr2= 427, 428, 427, 428,
&end
#
# 0 AMB 20-2:4272 0 AMB 20-1:4272 5.50 (# 4272:20 Double
Ambig)
&rst
ixpk= 4272, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.00,
r4=11.50,
igr1=1590,1591, 801, 802,2179,2180, 801, 802,
igr2=2192,2193,1581,1582,2192,2193,2192,2193,
&end
#
# 8 VAL MGX 41 SER HA 5.50 (# 4273:20 Unique
3.24, 5.66 A)
&rst
ixpk= 4273, nxpk= 20, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 118, 119, 120, 122, 123, 124,
&end
#
# 10 ASN HD2- 41 SER HB- 5.50 (# 4274:20 Unique
2.98, 5.23 A)
&rst
ixpk= 4274, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 144, 145,
igr2= 551, 552,
&end
#
# 0 AMB 20-2:4275 42 ALA HA 5.50 (# 4275:20 Single
Ambig)
&rst
ixpk= 4275, nxpk= 20, iat= -1, 560, r1= 1.30, r2= 1.80, r3= 8.90, r4=
9.40,
igr1=1380,1381,1382,1384,1385,1386, 118, 119, 120, 122,
123, 124,1434,1435,1436,1438,1439,1440,
&end
#
# 0 AMB 20-2:4276 42 ALA HA 4.50 (# 4276:20 Single
Ambig)
&rst
ixpk= 4276, nxpk= 20, iat= -1, 560, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 549, 578,
&end
#
# 45 ASN HD2- 42 ALA HA 5.50 (# 4277:20 Unique
3.98, 5.35 A)
&rst
ixpk= 4277, nxpk= 20, iat= -1, 560, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 606, 607,
&end
#
# 59 LEU MDX 109 ILE QG2 5.50 (# 4278:20 Unique
2.42, 5.41 A)
&rst
ixpk= 4278, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4=
9.40,
igr1= 849, 850, 851, 853, 854, 855,
igr2=1623,1624,1625,
&end
#
# 124 MET HN 123 PRO HB- 3.50 (# 4280:20 Unique
2.92, 3.49 A)
&rst
ixpk= 4280, nxpk= 20, iat=1862, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1855,1856,
&end
#
# 0 AMB 20-2:4281 0 AMB 20-1:4281 3.50 (# 4281:20 Double
Ambig)
&rst
ixpk= 4281, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1= 549, 578,
igr2= 569, 570, 569, 570,
&end
#
# 0 AMB 20-2:4282 52 GLU HA 5.50 (# 4282:20 Single
Ambig)
&rst
ixpk= 4282, nxpk= 20, iat= -1, 713, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 755, 756, 755, 756,
&end
#
# 51 ARG HN 52 GLU HA 5.50 (# 4283:20 Unique
5.28, 5.32 A)
&rst
ixpk= 4283, nxpk= 20, iat= 687, 713, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 45 ASN HN 44 GLU HB+ 5.50 (# 4284:20 Unique
2.80, 3.98 A)
&rst
ixpk= 4284, nxpk= 20, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 586, 587,
&end
#
# 45 ASN HN 44 GLU HB- 5.50 (# 4285:20 Unique
2.80, 3.98 A)
&rst
ixpk= 4285, nxpk= 20, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 586, 587,
&end
#
# 0 AMB 20-2:4286 0 AMB 20-1:4286 5.50 (# 4286:20 Double
Ambig)
&rst
ixpk= 4286, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.00,
r4=12.50,
igr1=1434,1435,1436,1438,1439,1440,1380,1381,1382,1384,
1385,1386,1380,1381,1382,1384,1385,1386,
igr2= 589, 590, 589, 590, 589, 590,
&end
#
# 47 ILE QD1 44 GLU HG+ 5.50 (# 4287:20 Unique
4.14, 5.69 A)
&rst
ixpk= 4287, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 636, 637, 638,
igr2= 589, 590,
&end
#
# 0 AMB 20-2:4288 0 AMB 20-1:4288 3.50 (# 4288:20 Double
Ambig)
&rst
ixpk= 4288, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1=2177, 405,
igr2=2182,2183,2136,2137,
&end
#
# 45 ASN HD2- 45 ASN HB- 4.50 (# 4289:20 Unique
2.30, 3.44 A)
&rst
ixpk= 4289, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 606, 607,
igr2= 601, 602,
&end
#
# 45 ASN HD2- 45 ASN HB+ 4.50 (# 4290:20 Unique
2.30, 3.44 A)
&rst
ixpk= 4290, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 606, 607,
igr2= 601, 602,
&end
#
# 42 ALA MB 45 ASN HB+ 5.50 (# 4291:20 Unique
2.63, 4.81 A)
&rst
ixpk= 4291, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 562, 563, 564,
igr2= 601, 602,
&end
#
# 46 ASP HN 46 ASP HB+ 3.50 (# 4292:20 Unique
2.22, 2.87 A)
&rst
ixpk= 4292, nxpk= 20, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2= 615, 616,
&end
#
# 49 ALA MB 0 AMB 20-1:4293 4.50 (# 4293:20 Single
Ambig)
&rst
ixpk= 4293, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1= 662, 663, 664,
igr2= 670, 625,
&end
#
# 46 ASP HB- 0 AMB 20-1:4294 5.50 (# 4294:20 Single
Ambig)
&rst
ixpk= 4294, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 615, 616,
igr2= 625, 670,
&end
#
# 0 AMB 20-2:4295 0 AMB 20-1:4295 5.50 (# 4295:20 Double
Ambig)
&rst
ixpk= 4295, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1= 615, 616, 615, 616,
igr2= 625, 670,
&end
#
# 51 ARG HA 0 AMB 20-1:4296 5.50 (# 4296:20 Single
Ambig)
&rst
ixpk= 4296, nxpk= 20, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 670, 625,
&end
#
# 0 AMB 20-2:4297 0 AMB 20-1:4297 4.50 (# 4297:20 Double
Ambig)
&rst
ixpk= 4297, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1= 770, 771, 584, 660,
igr2= 670, 625,
&end
#
# 46 ASP HB- 47 ILE HB 5.50 (# 4298:20 Unique
6.09, 6.19 A)
&rst
ixpk= 4298, nxpk= 20, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 615, 616,
&end
#
# 0 AMB 20-2:4299 0 AMB 20-1:4299 5.50 (# 4299:20 Double
Ambig)
&rst
ixpk= 4299, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=1467,1468, 615, 616,
igr2=1448, 672,
&end
#
# 44 GLU HA 47 ILE HB 4.50 (# 4300:20 Unique
3.90, 4.12 A)
&rst
ixpk= 4300, nxpk= 20, iat= 584, 627, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 20-2:4301 47 ILE HG1- 2.80 (# 4301:20 Single
Ambig)
&rst
ixpk= 4301, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4=
4.74,
igr1= 636, 637, 638, 629, 630, 631,
igr2= 633, 634,
&end
#
# 0 AMB 20-2:4302 0 AMB 20-1:4302 2.80 (# 4302:20 Double
Ambig)
&rst
ixpk= 4302, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4=
5.26,
igr1= 636, 637, 638, 629, 630, 631,
igr2= 633, 634, 633, 634,
&end
#
# 97 LEU HG 47 ILE HG1+ 5.50 (# 4303:20 Unique
2.41, 4.37 A)
&rst
ixpk= 4303, nxpk= 20, iat=1432, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 633, 634,
&end
#
# 0 AMB 20-2:4304 47 ILE HG1- 5.50 (# 4304:20 Single
Ambig)
&rst
ixpk= 4304, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 611, 668,
igr2= 633, 634,
&end
#
# 51 ARG HD+ 47 ILE QD1 5.50 (# 4305:20 Unique
5.27, 7.28 A)
&rst
ixpk= 4305, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 697, 698,
igr2= 636, 637, 638,
&end
#
# 44 GLU HG+ 47 ILE QD1 5.50 (# 4306:20 Unique
4.14, 5.69 A)
&rst
ixpk= 4306, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 589, 590,
igr2= 636, 637, 638,
&end
#
# 46 ASP HB- 47 ILE QD1 5.50 (# 4307:20 Unique
6.65, 7.58 A)
&rst
ixpk= 4307, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 615, 616,
igr2= 636, 637, 638,
&end
#
# 48 VAL HN 47 ILE QG2 3.50 (# 4308:20 Unique
3.08, 4.05 A)
&rst
ixpk= 4308, nxpk= 20, iat= 642, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr2= 629, 630, 631,
&end
#
# 102 LYS HA 98 ILE QG2 4.50 (# 4309:20 Unique
3.75, 4.59 A)
&rst
ixpk= 4309, nxpk= 20, iat=1513, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr2=1450,1451,1452,
&end
#
# 48 VAL MGX 48 VAL HA 2.80 (# 4310:20 Unique
2.49, 3.18 A)
&rst
ixpk= 4310, nxpk= 20, iat= -1, 644, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1= 648, 649, 650, 652, 653, 654,
&end
#
# 0 AMB 20-2:4311 0 AMB 20-1:4311 4.50 (# 4311:20 Double
Ambig)
&rst
ixpk= 4311, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1= 932, 599,
igr2= 949, 950, 646,
&end
#
# 0 AMB 20-2:4313 0 AMB 20-1:4313 3.50 (# 4313:20 Double
Ambig)
&rst
ixpk= 4313, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 799, 37,
igr2=1590,1591, 474,
&end
#
# 13 MET HA 13 MET HB+ 4.50 (# 4314:20 Unique
2.48, 2.79 A)
&rst
ixpk= 4314, nxpk= 20, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 181, 182,
&end
#
# 45 ASN HA 48 VAL MGY 5.50 (# 4316:20 Unique
4.75, 7.02 A)
&rst
ixpk= 4316, nxpk= 20, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 648, 649, 650, 652, 653, 654,
&end
#
# 0 AMB 20-2:4317 48 VAL MGY 4.50 (# 4317:20 Single
Ambig)
&rst
ixpk= 4317, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4=
8.14,
igr1= 697, 698, 697, 698,
igr2= 648, 649, 650, 652, 653, 654,
&end
#
# 0 AMB 20-2:4318 27 ALA HA 5.50 (# 4318:20 Single
Ambig)
&rst
ixpk= 4318, nxpk= 20, iat= -1, 361, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 303, 328,
&end
#
# 0 AMB 20-2:4319 27 ALA MB 4.50 (# 4319:20 Single
Ambig)
&rst
ixpk= 4319, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1= 303, 328, 390, 391,
igr2= 363, 364, 365,
&end
#
# 28 ALA HN 27 ALA MB 2.80 (# 4320:20 Unique
2.63, 3.58 A)
&rst
ixpk= 4320, nxpk= 20, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr2= 363, 364, 365,
&end
#
# 53 LEU HN 50 ILE HA 4.50 (# 4321:20 Unique
3.39, 3.58 A)
&rst
ixpk= 4321, nxpk= 20, iat= 726, 670, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 10 ASN HD2+ 13 MET ME 5.50 (# 4322:20 Unique
3.31, 5.31 A)
&rst
ixpk= 4322, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 144, 145,
igr2= 188, 189, 190,
&end
#
# 118 VAL HA 13 MET ME 5.50 (# 4323:20 Unique
4.97, 5.73 A)
&rst
ixpk= 4323, nxpk= 20, iat=1765, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2= 188, 189, 190,
&end
#
# 73 ILE QG2 73 ILE HG1- 4.50 (# 4326:20 Unique
2.24, 3.22 A)
&rst
ixpk= 4326, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1041,1042,1043,
igr2=1045,1046,
&end
#
# 113 ILE HA 73 ILE HG1- 5.50 (# 4327:20 Unique
3.48, 4.25 A)
&rst
ixpk= 4327, nxpk= 20, iat=1684, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1045,1046,
&end
#
# 73 ILE HA 73 ILE HG1- 5.50 (# 4328:20 Unique
2.46, 2.96 A)
&rst
ixpk= 4328, nxpk= 20, iat=1037, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1045,1046,
&end
#
# 73 ILE HN 73 ILE HG1- 5.50 (# 4329:20 Unique
2.79, 3.45 A)
&rst
ixpk= 4329, nxpk= 20, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1045,1046,
&end
#
# 0 AMB 20-2:4330 73 ILE HG1- 5.50 (# 4330:20 Single
Ambig)
&rst
ixpk= 4330, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1054,1701,
igr2=1045,1046,
&end
#
# 73 ILE HA 73 ILE HG1+ 4.50 (# 4331:20 Unique
2.46, 2.96 A)
&rst
ixpk= 4331, nxpk= 20, iat=1037, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1045,1046,
&end
#
# 0 AMB 20-2:4332 0 AMB 20-1:4332 4.50 (# 4332:20 Double
Ambig)
&rst
ixpk= 4332, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4=
7.78,
igr1= 726,2233,2241,
igr2= 773, 774,1045,1046, 749, 750,
&end
#
# 85 PHE HD 94 LEU MDY 4.50 (# 4333:20 Unique
2.24, 6.08 A)
&rst
ixpk= 4333, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1=1235,1243,
igr2=1380,1381,1382,1384,1385,1386,
&end
#
# 95 ASN HD2- 95 ASN HB- 4.50 (# 4334:20 Unique
2.60, 3.62 A)
&rst
ixpk= 4334, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1399,1400,
igr2=1394,1395,
&end
#
# 81 ILE QG2 95 ASN HB- 4.50 (# 4335:20 Unique
2.24, 3.85 A)
&rst
ixpk= 4335, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1172,1173,1174,
igr2=1394,1395,
&end
#
# 78 PRO HB- 95 ASN HB- 5.50 (# 4336:20 Unique
2.27, 3.79 A)
&rst
ixpk= 4336, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1135,1136,
igr2=1394,1395,
&end
#
# 0 AMB 20-2:4337 0 AMB 20-1:4337 4.50 (# 4337:20 Double
Ambig)
&rst
ixpk= 4337, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4=
9.08,
igr1=1024,1025,1024,1025,1708,1709,1708,1709,
igr2= 989, 990, 989, 990, 989, 990,
&end
#
# 78 PRO HB- 95 ASN HB+ 5.50 (# 4338:20 Unique
2.27, 3.79 A)
&rst
ixpk= 4338, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1135,1136,
igr2=1394,1395,
&end
#
# 119 GLY HN 122 TYR HB+ 5.50 (# 4339:20 Unique
2.94, 3.90 A)
&rst
ixpk= 4339, nxpk= 20, iat=1779, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1831,1832,
&end
#
# 151 LEU HA 74 ARG HB+ 5.50 (# 4341:20 Unique
2.90, 3.80 A)
&rst
ixpk= 4341, nxpk= 20, iat=2274, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1058,1059,
&end
#
# 0 AMB 20-2:4342 0 AMB 20-1:4342 2.80 (# 4342:20 Double
Ambig)
&rst
ixpk= 4342, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4=
5.44,
igr1= 830, 831, 832, 834, 835, 836, 674, 675, 676,1380,
1381,1382,1384,1385,1386,
igr2= 51, 116,
&end
#
# 94 LEU HN 0 AMB 20-1:4343 5.50 (# 4343:20 Single
Ambig)
&rst
ixpk= 4343, nxpk= 20, iat=1371, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr2=1408,1409,1408,1409,
&end
#
# 96 TYR HN 95 ASN HA 5.50 (# 4344:20 Unique
3.46, 3.50 A)
&rst
ixpk= 4344, nxpk= 20, iat=1404,1392, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 98 ILE HN 97 LEU HA 4.50 (# 4345:20 Unique
3.55, 3.60 A)
&rst
ixpk= 4345, nxpk= 20, iat=1444,1427, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 96 TYR HD 97 LEU HA 5.50 (# 4346:20 Unique
3.57, 4.83 A)
&rst
ixpk= 4346, nxpk= 20, iat= -1,1427, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1412,1421,
&end
#
# 0 AMB 20-2:4347 97 LEU HA 3.50 (# 4347:20 Single
Ambig)
&rst
ixpk= 4347, nxpk= 20, iat= -1,1427, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1=1482,1483,1479,1480,1479,1480,
&end
#
# 97 LEU HG 97 LEU HA 3.50 (# 4348:20 Unique
2.48, 3.31 A)
&rst
ixpk= 4348, nxpk= 20, iat=1432,1427, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 139 LEU MDY 142 TRP HB- 5.50 (# 4349:20 Unique
3.06, 5.40 A)
&rst
ixpk= 4349, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=2119,2120,2121,2123,2124,2125,
igr2=2155,2156,
&end
#
# 0 AMB 20-2:4350 0 AMB 20-1:4350 5.50 (# 4350:20 Double
Ambig)
&rst
ixpk= 4350, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2175,1154,
igr2=2177,1156,
&end
#
# 144 GLY HN 143 GLU HA 5.50 (# 4351:20 Unique
2.18, 2.42 A)
&rst
ixpk= 4351, nxpk= 20, iat=2190,2177, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 20-2:4352 0 AMB 20-1:4352 5.50 (# 4352:20 Double
Ambig)
&rst
ixpk= 4352, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=2179,2180,2114,2115,
igr2=2177, 405,
&end
#
# 57 ARG HE 57 ARG HB+ 4.50 (# 4353:20 Unique
1.85, 2.57 A)
&rst
ixpk= 4353, nxpk= 20, iat= 810, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 801, 802,
&end
#
# 125 THR HA 126 GLN HA 4.50 (# 4354:20 Unique
4.17, 4.31 A)
&rst
ixpk= 4354, nxpk= 20, iat=1881,1895, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 20-2:4355 126 GLN HA 4.50 (# 4355:20 Single
Ambig)
&rst
ixpk= 4355, nxpk= 20, iat= -1,1895, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1950,1951,1950,1951,
&end
#
# 0 AMB 20-2:4356 50 ILE HG1- 4.50 (# 4356:20 Single
Ambig)
&rst
ixpk= 4356, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 670, 625,
igr2= 678, 679,
&end
#
# 51 ARG HN 0 AMB 20-1:4357 2.80 (# 4357:20 Single
Ambig)
&rst
ixpk= 4357, nxpk= 20, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr2= 691, 692, 691, 692,
&end
#
# 0 AMB 20-2:4358 0 AMB 20-1:4358 5.50 (# 4358:20 Double
Ambig)
&rst
ixpk= 4358, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 770, 771, 713,
igr2= 694, 695, 694, 695,
&end
#
# 48 VAL MGY 51 ARG HD- 5.50 (# 4359:20 Unique
3.48, 5.71 A)
&rst
ixpk= 4359, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 648, 649, 650, 652, 653, 654,
igr2= 697, 698,
&end
#
# 104 ASP HN 102 LYS HA 5.50 (# 4360:20 Unique
3.68, 3.89 A)
&rst
ixpk= 4360, nxpk= 20, iat=1548,1513, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 54 ARG HN 53 LEU HB- 5.50 (# 4361:20 Unique
2.80, 3.66 A)
&rst
ixpk= 4361, nxpk= 20, iat= 745, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 730, 731,
&end
#
# 54 ARG HN 53 LEU HG 5.50 (# 4362:20 Unique
4.41, 4.67 A)
&rst
ixpk= 4362, nxpk= 20, iat= 745, 733, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 4 VAL HA 53 LEU MDX 5.50 (# 4364:20 Unique
4.21, 6.58 A)
&rst
ixpk= 4364, nxpk= 20, iat= 49, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 735, 736, 737, 739, 740, 741,
&end
#
# 53 LEU HB+ 53 LEU MDX 2.80 (# 4365:20 Unique
2.25, 3.39 A)
&rst
ixpk= 4365, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4=
4.74,
igr1= 730, 731,
igr2= 735, 736, 737, 739, 740, 741,
&end
#
# 105 ILE QD1 54 ARG HA 5.50 (# 4368:20 Unique
4.62, 6.29 A)
&rst
ixpk= 4368, nxpk= 20, iat= -1, 747, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1573,1574,1575,
&end
#
# 53 LEU HN 54 ARG HA 5.50 (# 4370:20 Unique
4.34, 4.42 A)
&rst
ixpk= 4370, nxpk= 20, iat= 726, 747, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 79 ASP HN 78 PRO HG- 5.50 (# 4371:20 Unique
2.94, 4.12 A)
&rst
ixpk= 4371, nxpk= 20, iat=1142, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1132,1133,
&end
#
# 54 ARG HA 0 AMB 20-1:4372 3.50 (# 4372:20 Single
Ambig)
&rst
ixpk= 4372, nxpk= 20, iat= 747, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr2= 752, 753, 752, 753,
&end
#
# 128 ILE QD1 116 ASP HB+ 4.50 (# 4374:20 Unique
2.50, 4.22 A)
&rst
ixpk= 4374, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1937,1938,1939,
igr2=1736,1737,
&end
#
# 0 AMB 20-2:4375 0 AMB 20-1:4375 5.50 (# 4375:20 Double
Ambig)
&rst
ixpk= 4375, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=1883,1728,
igr2=1736,1737,1736,1737,
&end
#
# 125 THR HB 116 ASP HB+ 5.50 (# 4376:20 Unique
3.20, 5.24 A)
&rst
ixpk= 4376, nxpk= 20, iat=1883, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1736,1737,
&end
#
# 2 THR HB 55 PRO HA 3.50 (# 4377:20 Unique
1.99, 2.11 A)
&rst
ixpk= 4377, nxpk= 20, iat= 25, 779, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 57 ARG HN 55 PRO HB- 5.50 (# 4379:20 Unique
2.84, 3.12 A)
&rst
ixpk= 4379, nxpk= 20, iat= 797, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 776, 777,
&end
#
# 56 THR HN 55 PRO HB+ 5.50 (# 4380:20 Unique
2.96, 3.40 A)
&rst
ixpk= 4380, nxpk= 20, iat= 783, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 776, 777,
&end
#
# 0 AMB 20-2:4381 20 PRO HG- 4.50 (# 4381:20 Single
Ambig)
&rst
ixpk= 4381, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1= 227, 228, 227, 228,
igr2= 253, 254,
&end
#
# 106 GLY HA+ 56 THR HA 4.50 (# 4382:20 Unique
3.86, 4.71 A)
&rst
ixpk= 4382, nxpk= 20, iat= -1, 785, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1581,1582,
&end
#
# 0 AMB 20-2:4383 56 THR HA 3.50 (# 4383:20 Single
Ambig)
&rst
ixpk= 4383, nxpk= 20, iat= -1, 785, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 787,1562,
&end
#
# 0 AMB 20-2:4384 56 THR HA 5.50 (# 4384:20 Single
Ambig)
&rst
ixpk= 4384, nxpk= 20, iat= -1, 785, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1586,1560,
&end
#
# 58 LEU HA 0 AMB 20-1:4387 5.50 (# 4387:20 Single
Ambig)
&rst
ixpk= 4387, nxpk= 20, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr2= 804, 805, 804, 805,
&end
#
# 0 AMB 20-2:4389 58 LEU HA 5.50 (# 4389:20 Single
Ambig)
&rst
ixpk= 4389, nxpk= 20, iat= -1, 823, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 773, 774, 67, 68,1496,1497,
&end
#
# 149 ALA HN 75 ILE HG1+ 5.50 (# 4390:20 Unique
3.38, 4.50 A)
&rst
ixpk= 4390, nxpk= 20, iat=2245, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1088,1089,
&end
#
# 0 AMB 20-2:4391 58 LEU MDX 2.80 (# 4391:20 Single
Ambig)
&rst
ixpk= 4391, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4=
5.03,
igr1= 825, 826, 51,
igr2= 830, 831, 832, 834, 835, 836,
&end
#
# 58 LEU HA 58 LEU MDX 5.50 (# 4392:20 Unique
2.36, 4.03 A)
&rst
ixpk= 4392, nxpk= 20, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 830, 831, 832, 834, 835, 836,
&end
#
# 110 PHE HD 76 ILE HG1- 5.50 (# 4393:20 Unique
3.03, 6.04 A)
&rst
ixpk= 4393, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1644,1652,
igr2=1107,1108,
&end
#
# 150 GLN HE2+ 76 ILE HG1- 5.50 (# 4394:20 Unique
4.00, 5.07 A)
&rst
ixpk= 4394, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2267,2268,
igr2=1107,1108,
&end
#
# 0 AMB 20-2:4395 0 AMB 20-1:4395 5.50 (# 4395:20 Double
Ambig)
&rst
ixpk= 4395, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4=
9.23,
igr1= 878,1511,
igr2= 869, 870, 830, 831, 832, 834, 835, 836,
&end
#
# 0 AMB 20-2:4396 0 AMB 20-1:4396 5.50 (# 4396:20 Double
Ambig)
&rst
ixpk= 4396, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4=
9.23,
igr1=1097, 47,
igr2=1107,1108, 830, 831, 832, 834, 835, 836,
&end
#
# 61 VAL HN 58 LEU MDY 5.50 (# 4397:20 Unique
5.99, 7.79 A)
&rst
ixpk= 4397, nxpk= 20, iat= 878, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 830, 831, 832, 834, 835, 836,
&end
#
# 0 AMB 20-2:4400 58 LEU MDY 5.50 (# 4400:20 Single
Ambig)
&rst
ixpk= 4400, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4=
9.84,
igr1= 670, 770, 771, 625,
igr2= 830, 831, 832, 834, 835, 836,
&end
#
# 60 ILE HA 58 LEU MDY 4.50 (# 4403:20 Unique
3.75, 5.60 A)
&rst
ixpk= 4403, nxpk= 20, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr2= 830, 831, 832, 834, 835, 836,
&end
#
# 120 PHE HB- 13 MET HA 4.50 (# 4404:20 Unique
3.91, 4.77 A)
&rst
ixpk= 4404, nxpk= 20, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1790,1791,
&end
#
# 148 PHE HB+ 74 ARG HA 5.50 (# 4405:20 Unique
3.13, 4.20 A)
&rst
ixpk= 4405, nxpk= 20, iat= -1,1056, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=2229,2230,
&end
#
# 0 AMB 20-2:4406 0 AMB 20-1:4406 5.50 (# 4406:20 Double
Ambig)
&rst
ixpk= 4406, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=2161, 82,
igr2= 844, 845, 844, 845,
&end
#
# 109 ILE HB 59 LEU HB+ 5.50 (# 4407:20 Unique
2.82, 4.01 A)
&rst
ixpk= 4407, nxpk= 20, iat=1621, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 844, 845,
&end
#
# 0 AMB 20-2:4408 0 AMB 20-1:4408 5.50 (# 4408:20 Double
Ambig)
&rst
ixpk= 4408, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99,
r4=10.49,
igr1= 804, 805, 804, 805,1627,1628,
igr2= 844, 845, 844, 845, 844, 845,
&end
#
# 0 AMB 20-2:4409 59 LEU HB- 5.50 (# 4409:20 Single
Ambig)
&rst
ixpk= 4409, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 804, 805, 804, 805,1627,1628,
igr2= 844, 845,
&end
#
# 58 LEU MDY 59 LEU HB+ 4.50 (# 4410:20 Unique
4.44, 6.80 A)
&rst
ixpk= 4410, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1= 830, 831, 832, 834, 835, 836,
igr2= 844, 845,
&end
#
# 58 LEU MDY 59 LEU HB- 5.50 (# 4411:20 Unique
4.44, 6.80 A)
&rst
ixpk= 4411, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 830, 831, 832, 834, 835, 836,
igr2= 844, 845,
&end
#
# 61 VAL HN 59 LEU MDY 5.50 (# 4413:20 Unique
4.56, 6.74 A)
&rst
ixpk= 4413, nxpk= 20, iat= 878, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 849, 850, 851, 853, 854, 855,
&end
#
# 0 AMB 20-2:4414 59 LEU MDY 5.50 (# 4414:20 Single
Ambig)
&rst
ixpk= 4414, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=2168,2170,
igr2= 849, 850, 851, 853, 854, 855,
&end
#
# 0 AMB 20-2:4415 59 LEU MDY 4.50 (# 4415:20 Single
Ambig)
&rst
ixpk= 4415, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4=
7.78,
igr1=1638, 861,2199,
igr2= 849, 850, 851, 853, 854, 855,
&end
#
# 109 ILE HA 59 LEU MDY 5.50 (# 4416:20 Unique
4.71, 7.04 A)
&rst
ixpk= 4416, nxpk= 20, iat=1619, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 849, 850, 851, 853, 854, 855,
&end
#
# 146 GLY HA+ 59 LEU MDY 5.50 (# 4417:20 Unique
4.55, 7.37 A)
&rst
ixpk= 4417, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=2213,2214,
igr2= 849, 850, 851, 853, 854, 855,
&end
#
# 0 AMB 20-2:4418 59 LEU MDY 4.50 (# 4418:20 Single
Ambig)
&rst
ixpk= 4418, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4=
9.68,
igr1=2038,2039,2040,2042,2043,2044, 291, 292, 293, 295,
296, 297,
igr2= 849, 850, 851, 853, 854, 855,
&end
#
# 82 ALA HN 81 ILE HG1+ 5.50 (# 4419:20 Unique
4.22, 4.66 A)
&rst
ixpk= 4419, nxpk= 20, iat=1185, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1176,1177,
&end
#
# 78 PRO HA 81 ILE HG1+ 4.50 (# 4420:20 Unique
2.48, 3.62 A)
&rst
ixpk= 4420, nxpk= 20, iat=1138, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1176,1177,
&end
#
# 0 AMB 20-2:4422 60 ILE QD1 5.50 (# 4422:20 Single
Ambig)
&rst
ixpk= 4422, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1617,1636,
igr2= 872, 873, 874,
&end
#
# 113 ILE HN 76 ILE QD1 5.50 (# 4424:20 Unique
4.92, 5.83 A)
&rst
ixpk= 4424, nxpk= 20, iat=1682, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=1110,1111,1112,
&end
#
# 66 MET HG- 76 ILE QD1 3.50 (# 4425:20 Unique
3.43, 4.63 A)
&rst
ixpk= 4425, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 949, 950,
igr2=1110,1111,1112,
&end
#
# 0 AMB 20-2:4426 105 ILE QD1 2.80 (# 4426:20 Single
Ambig)
&rst
ixpk= 4426, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4=
4.54,
igr1= 773, 774, 51,
igr2=1573,1574,1575,
&end
#
# 131 ALA HN 113 ILE QG2 5.50 (# 4428:20 Unique
4.70, 5.31 A)
&rst
ixpk= 4428, nxpk= 20, iat=1977, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=1688,1689,1690,
&end
#
# 0 AMB 20-2:4429 0 AMB 20-1:4429 4.50 (# 4429:20 Double
Ambig)
&rst
ixpk= 4429, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4=
7.78,
igr1=1987, 112,1035,
igr2=1688,1689,1690, 865, 866, 867,
&end
#
# 22 LEU MDY 61 VAL HB 5.50 (# 4430:20 Unique
2.17, 4.19 A)
&rst
ixpk= 4430, nxpk= 20, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 291, 292, 293, 295, 296, 297,
&end
#
# 0 AMB 20-2:4431 61 VAL MGY 5.50 (# 4431:20 Single
Ambig)
&rst
ixpk= 4431, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4=
9.84,
igr1= 286, 287, 898, 899,
igr2= 884, 885, 886, 888, 889, 890,
&end
#
# 5 LEU HA 61 VAL MGY 5.50 (# 4434:20 Unique
4.91, 7.51 A)
&rst
ixpk= 4434, nxpk= 20, iat= 65, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 884, 885, 886, 888, 889, 890,
&end
#
# 6 LEU HN 61 VAL MGY 5.50 (# 4435:20 Unique
4.31, 6.93 A)
&rst
ixpk= 4435, nxpk= 20, iat= 82, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 884, 885, 886, 888, 889, 890,
&end
#
# 135 VAL HB 61 VAL MGY 5.50 (# 4437:20 Unique
3.67, 5.14 A)
&rst
ixpk= 4437, nxpk= 20, iat=2036, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 884, 885, 886, 888, 889, 890,
&end
#
# 59 LEU MDX 61 VAL MGX 5.50 (# 4438:20 Unique
2.38, 5.96 A)
&rst
ixpk= 4438, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99,
r4=10.49,
igr1= 849, 850, 851, 853, 854, 855,
igr2= 884, 885, 886, 888, 889, 890,
&end
#
# 139 LEU MDY 61 VAL MGX 5.50 (# 4439:20 Unique
3.64, 7.39 A)
&rst
ixpk= 4439, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99,
r4=10.49,
igr1=2119,2120,2121,2123,2124,2125,
igr2= 884, 885, 886, 888, 889, 890,
&end
#
# 73 ILE QG2 61 VAL MGX 5.50 (# 4440:20 Unique
4.91, 6.88 A)
&rst
ixpk= 4440, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4=
9.40,
igr1=1041,1042,1043,
igr2= 884, 885, 886, 888, 889, 890,
&end
#
# 135 VAL HB 61 VAL MGX 5.50 (# 4441:20 Unique
3.67, 5.14 A)
&rst
ixpk= 4441, nxpk= 20, iat=2036, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 884, 885, 886, 888, 889, 890,
&end
#
# 0 AMB 20-2:4442 61 VAL MGX 5.50 (# 4442:20 Single
Ambig)
&rst
ixpk= 4442, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4=
9.40,
igr1=1677,1678, 908,
igr2= 884, 885, 886, 888, 889, 890,
&end
#
# 111 LEU HN 61 VAL MGX 5.50 (# 4443:20 Unique
3.38, 4.99 A)
&rst
ixpk= 4443, nxpk= 20, iat=1656, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 884, 885, 886, 888, 889, 890,
&end
#
# 22 LEU HG 61 VAL MGX 4.50 (# 4445:20 Unique
4.49, 5.39 A)
&rst
ixpk= 4445, nxpk= 20, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr2= 884, 885, 886, 888, 889, 890,
&end
#
# 62 ASP HA 62 ASP HB+ 4.50 (# 4446:20 Unique
2.50, 2.78 A)
&rst
ixpk= 4446, nxpk= 20, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2= 898, 899,
&end
#
# 60 ILE QG2 62 ASP HB- 5.50 (# 4447:20 Unique
3.89, 5.54 A)
&rst
ixpk= 4447, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 865, 866, 867,
igr2= 898, 899,
&end
#
# 128 ILE QD1 116 ASP HB- 4.50 (# 4448:20 Unique
2.50, 4.22 A)
&rst
ixpk= 4448, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1937,1938,1939,
igr2=1736,1737,
&end
#
# 113 ILE QG2 63 ALA HA 4.50 (# 4449:20 Unique
3.81, 4.54 A)
&rst
ixpk= 4449, nxpk= 20, iat= -1, 908, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1=1688,1689,1690,
&end
#
# 0 AMB 20-2:4450 63 ALA HA 5.50 (# 4450:20 Single
Ambig)
&rst
ixpk= 4450, nxpk= 20, iat= -1, 908, r1= 1.30, r2= 1.80, r3= 8.07, r4=
8.57,
igr1=1722,1723,1725,1726, 953, 954, 955,1873,1874,1875,
&end
#
# 0 AMB 20-2:4451 63 ALA HA 5.50 (# 4451:20 Single
Ambig)
&rst
ixpk= 4451, nxpk= 20, iat= -1, 908, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1719,1720, 920,
&end
#
# 63 ALA HN 63 ALA HA 5.50 (# 4452:20 Unique
2.91, 2.93 A)
&rst
ixpk= 4452, nxpk= 20, iat= 906, 908, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 20-2:4453 64 THR HA 5.50 (# 4453:20 Single
Ambig)
&rst
ixpk= 4453, nxpk= 20, iat= -1, 918, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 934, 935,1330,1331,
&end
#
# 65 ASP HB- 64 THR HA 4.50 (# 4454:20 Unique
4.56, 4.66 A)
&rst
ixpk= 4454, nxpk= 20, iat= -1, 918, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 934, 935,
&end
#
# 76 ILE QG2 76 ILE HA 2.80 (# 4455:20 Unique
2.34, 2.87 A)
&rst
ixpk= 4455, nxpk= 20, iat= -1,1099, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr1=1103,1104,1105,
&end
#
# 113 ILE HN 64 THR MG2 5.50 (# 4456:20 Unique
5.77, 5.92 A)
&rst
ixpk= 4456, nxpk= 20, iat=1682, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2= 922, 923, 924,
&end
#
# 65 ASP HN 64 THR MG2 3.50 (# 4457:20 Unique
2.42, 3.28 A)
&rst
ixpk= 4457, nxpk= 20, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr2= 922, 923, 924,
&end
#
# 0 AMB 20-2:4458 64 THR MG2 5.50 (# 4458:20 Single
Ambig)
&rst
ixpk= 4458, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 942,1675,
igr2= 922, 923, 924,
&end
#
# 114 GLN HE2- 65 ASP HA 3.50 (# 4459:20 Unique
2.12, 2.63 A)
&rst
ixpk= 4459, nxpk= 20, iat= -1, 932, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1713,1714,
&end
#
# 0 AMB 20-2:4460 0 AMB 20-1:4460 5.50 (# 4460:20 Double
Ambig)
&rst
ixpk= 4460, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=1719,1720,1477,
igr2= 934, 935,1467,1468,
&end
#
# 115 PRO HD+ 65 ASP HB+ 5.50 (# 4461:20 Unique
3.66, 4.77 A)
&rst
ixpk= 4461, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1719,1720,
igr2= 934, 935,
&end
#
# 0 AMB 20-2:4462 0 AMB 20-1:4462 5.50 (# 4462:20 Double
Ambig)
&rst
ixpk= 4462, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=1719,1720, 920,
igr2= 934, 935, 934, 935,
&end
#
# 142 TRP HN 138 ARG HA 5.50 (# 4463:20 Unique
4.00, 4.83 A)
&rst
ixpk= 4463, nxpk= 20, iat=2151,2088, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 138 ARG HE 138 ARG HA 5.50 (# 4464:20 Unique
3.26, 4.08 A)
&rst
ixpk= 4464, nxpk= 20, iat=2099,2088, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 151 LEU MDY 66 MET HB- 4.50 (# 4465:20 Unique
2.20, 4.39 A)
&rst
ixpk= 4465, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1=2281,2282,2283,2285,2286,2287,
igr2= 946, 947,
&end
#
# 0 AMB 20-2:4466 0 AMB 20-1:4466 5.50 (# 4466:20 Double
Ambig)
&rst
ixpk= 4466, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1= 932,1684,
igr2= 949, 950, 949, 950,
&end
#
# 0 AMB 20-2:4468 68 LEU HB- 5.50 (# 4468:20 Single
Ambig)
&rst
ixpk= 4468, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1= 989, 990, 989, 990,
igr2= 970, 971,
&end
#
# 0 AMB 20-2:4469 0 AMB 20-1:4469 5.50 (# 4469:20 Double
Ambig)
&rst
ixpk= 4469, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4=
9.23,
igr1= 989, 990, 989, 990,
igr2= 970, 971, 970, 971,
&end
#
# 0 AMB 20-2:4470 68 LEU HB- 5.50 (# 4470:20 Single
Ambig)
&rst
ixpk= 4470, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=2324,2325,2324,2325,
igr2= 970, 971,
&end
#
# 0 AMB 20-2:4471 0 AMB 20-1:4471 5.50 (# 4471:20 Double
Ambig)
&rst
ixpk= 4471, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4=
9.23,
igr1=2324,2325,2324,2325,
igr2= 970, 971, 970, 971,
&end
#
# 68 LEU HA 68 LEU HG 4.50 (# 4472:20 Unique
2.95, 3.09 A)
&rst
ixpk= 4472, nxpk= 20, iat= 968, 973, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 68 LEU HN 68 LEU HG 4.50 (# 4473:20 Unique
2.43, 2.51 A)
&rst
ixpk= 4473, nxpk= 20, iat= 966, 973, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 74 ARG HD- 68 LEU MDX 5.50 (# 4474:20 Unique
3.95, 6.10 A)
&rst
ixpk= 4474, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=1064,1065,
igr2= 975, 976, 977, 979, 980, 981,
&end
#
# 0 AMB 20-2:4475 68 LEU MDX 2.80 (# 4475:20 Single
Ambig)
&rst
ixpk= 4475, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4=
5.03,
igr1= 973,1061,1062,
igr2= 975, 976, 977, 979, 980, 981,
&end
#
# 0 AMB 20-2:4476 68 LEU MDX 5.50 (# 4476:20 Single
Ambig)
&rst
ixpk= 4476, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=2274,1022,
igr2= 975, 976, 977, 979, 980, 981,
&end
#
# 68 LEU HN 68 LEU MDX 5.50 (# 4477:20 Unique
3.60, 4.50 A)
&rst
ixpk= 4477, nxpk= 20, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 975, 976, 977, 979, 980, 981,
&end
#
# 72 GLU HN 68 LEU MDX 5.50 (# 4478:20 Unique
5.26, 7.32 A)
&rst
ixpk= 4478, nxpk= 20, iat=1020, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 975, 976, 977, 979, 980, 981,
&end
#
# 74 ARG HE 68 LEU MDX 5.50 (# 4479:20 Unique
2.41, 4.45 A)
&rst
ixpk= 4479, nxpk= 20, iat=1067, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 975, 976, 977, 979, 980, 981,
&end
#
# 0 AMB 20-2:4480 68 LEU MDX 5.50 (# 4480:20 Single
Ambig)
&rst
ixpk= 4480, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=2291, 959,
igr2= 975, 976, 977, 979, 980, 981,
&end
#
# 69 ASN HN 68 LEU MDX 5.50 (# 4481:20 Unique
4.05, 4.98 A)
&rst
ixpk= 4481, nxpk= 20, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 975, 976, 977, 979, 980, 981,
&end
#
# 0 AMB 20-2:4482 151 LEU MDX 5.50 (# 4482:20 Single
Ambig)
&rst
ixpk= 4482, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=2272,1054,
igr2=2281,2282,2283,2285,2286,2287,
&end
#
# 114 GLN HN 68 LEU MDX 5.50 (# 4483:20 Unique
4.62, 7.27 A)
&rst
ixpk= 4483, nxpk= 20, iat=1701, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 975, 976, 977, 979, 980, 981,
&end
#
# 0 AMB 20-2:4484 0 AMB 20-1:4484 5.50 (# 4484:20 Double
Ambig)
&rst
ixpk= 4484, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4=
9.23,
igr1=1617,1636,
igr2= 830, 831, 832, 834, 835, 836,1107,1108,
&end
#
# 139 LEU HN 22 LEU MDX 5.50 (# 4486:20 Unique
5.43, 7.07 A)
&rst
ixpk= 4486, nxpk= 20, iat=2110, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 291, 292, 293, 295, 296, 297,
&end
#
# 74 ARG HA 68 LEU MDX 5.50 (# 4488:20 Unique
6.06, 7.73 A)
&rst
ixpk= 4488, nxpk= 20, iat=1056, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 975, 976, 977, 979, 980, 981,
&end
#
# 114 GLN HG- 70 PRO HA 2.80 (# 4489:20 Unique
2.29, 2.71 A)
&rst
ixpk= 4489, nxpk= 20, iat= -1,1009, r1= 1.30, r2= 1.80, r3= 3.14, r4=
3.64,
igr1=1708,1709,
&end
#
# 70 PRO HD+ 70 PRO HA 3.50 (# 4490:20 Unique
3.23, 3.67 A)
&rst
ixpk= 4490, nxpk= 20, iat= -1,1009, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1000,1001,
&end
#
# 0 AMB 20-2:4492 0 AMB 20-1:4492 4.50 (# 4492:20 Double
Ambig)
&rst
ixpk= 4492, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4=
7.64,
igr1=1524,1525,1524,1525,
igr2=1515,1516,1515,1516,
&end
#
# 116 ASP HB+ 70 PRO HB+ 4.50 (# 4493:20 Unique
2.11, 3.34 A)
&rst
ixpk= 4493, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1736,1737,
igr2=1006,1007,
&end
#
# 69 ASN HN 70 PRO HD+ 5.50 (# 4495:20 Unique
4.57, 4.84 A)
&rst
ixpk= 4495, nxpk= 20, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1000,1001,
&end
#
# 0 AMB 20-2:4496 0 AMB 20-1:4496 5.50 (# 4496:20 Double
Ambig)
&rst
ixpk= 4496, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70,
r4=10.20,
igr1=1914,1915,1928,1708,1709,
igr2=1015,1016,1015,1016,1015,1016,
&end
#
# 0 AMB 20-2:4497 71 GLY HA- 5.50 (# 4497:20 Single
Ambig)
&rst
ixpk= 4497, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4=
8.57,
igr1=1705,1706,1705,1706,1928,
igr2=1015,1016,
&end
#
# 0 AMB 20-2:4498 71 GLY HA- 5.50 (# 4498:20 Single
Ambig)
&rst
ixpk= 4498, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1920,1684,
igr2=1015,1016,
&end
#
# 128 ILE HN 71 GLY HA+ 5.50 (# 4499:20 Unique
4.13, 4.44 A)
&rst
ixpk= 4499, nxpk= 20, iat=1924, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1015,1016,
&end
#
# 128 ILE HN 71 GLY HA- 5.50 (# 4500:20 Unique
4.13, 4.44 A)
&rst
ixpk= 4500, nxpk= 20, iat=1924, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1015,1016,
&end
#
# 73 ILE HA 72 GLU HA 5.50 (# 4501:20 Unique
4.42, 4.46 A)
&rst
ixpk= 4501, nxpk= 20, iat=1037,1022, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 68 LEU HA 0 AMB 20-1:4503 5.50 (# 4503:20 Single
Ambig)
&rst
ixpk= 4503, nxpk= 20, iat= 968, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr2= 989, 990, 989, 990,
&end
#
# 68 LEU HB- 72 GLU HG+ 4.50 (# 4504:20 Unique
2.25, 3.31 A)
&rst
ixpk= 4504, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1= 970, 971,
igr2=1027,1028,
&end
#
# 0 AMB 20-2:4505 0 AMB 20-1:4505 5.50 (# 4505:20 Double
Ambig)
&rst
ixpk= 4505, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1= 968,1703,
igr2=1027,1028,1027,1028,
&end
#
# 0 AMB 20-2:4506 72 GLU HG- 5.50 (# 4506:20 Single
Ambig)
&rst
ixpk= 4506, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 968,1703,
igr2=1027,1028,
&end
#
# 62 ASP HB+ 62 ASP HA 4.50 (# 4509:20 Unique
2.50, 2.78 A)
&rst
ixpk= 4509, nxpk= 20, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 898, 899,
&end
#
# 72 GLU HA 73 ILE QG2 5.50 (# 4510:20 Unique
6.30, 6.55 A)
&rst
ixpk= 4510, nxpk= 20, iat=1022, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=1041,1042,1043,
&end
#
# 135 VAL HB 73 ILE QG2 5.50 (# 4511:20 Unique
2.65, 4.94 A)
&rst
ixpk= 4511, nxpk= 20, iat=2036, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=1041,1042,1043,
&end
#
# 148 PHE HB- 73 ILE QG2 5.50 (# 4512:20 Unique
2.72, 4.56 A)
&rst
ixpk= 4512, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=2229,2230,
igr2=1041,1042,1043,
&end
#
# 151 LEU HB- 74 ARG HB+ 4.50 (# 4513:20 Unique
2.10, 3.20 A)
&rst
ixpk= 4513, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=2276,2277,
igr2=1058,1059,
&end
#
# 74 ARG HG+ 74 ARG HB+ 4.50 (# 4514:20 Unique
2.31, 2.60 A)
&rst
ixpk= 4514, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1061,1062,
igr2=1058,1059,
&end
#
# 151 LEU MDY 74 ARG HB- 4.50 (# 4515:20 Unique
3.41, 4.83 A)
&rst
ixpk= 4515, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1=2281,2282,2283,2285,2286,2287,
igr2=1058,1059,
&end
#
# 129 LYS HN 129 LYS HG- 5.50 (# 4516:20 Unique
2.31, 3.25 A)
&rst
ixpk= 4516, nxpk= 20, iat=1943, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1950,1951,
&end
#
# 75 ILE HN 74 ARG HD+ 5.50 (# 4520:20 Unique
3.68, 3.85 A)
&rst
ixpk= 4520, nxpk= 20, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1064,1065,
&end
#
# 150 GLN HE2+ 75 ILE HB 5.50 (# 4521:20 Unique
3.20, 4.30 A)
&rst
ixpk= 4521, nxpk= 20, iat= -1,1082, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=2267,2268,
&end
#
# 74 ARG HA 75 ILE HB 5.50 (# 4522:20 Unique
4.37, 4.47 A)
&rst
ixpk= 4522, nxpk= 20, iat=1056,1082, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 150 GLN HB+ 75 ILE HB 3.50 (# 4524:20 Unique
3.37, 3.97 A)
&rst
ixpk= 4524, nxpk= 20, iat= -1,1082, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=2259,2260,
&end
#
# 145 ASN HB+ 75 ILE HB 5.50 (# 4525:20 Unique
4.39, 5.69 A)
&rst
ixpk= 4525, nxpk= 20, iat= -1,1082, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=2201,2202,
&end
#
# 0 AMB 20-2:4526 75 ILE HG1- 3.50 (# 4526:20 Single
Ambig)
&rst
ixpk= 4526, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1=2201,2202,2229,2230,
igr2=1088,1089,
&end
#
# 0 AMB 20-2:4527 75 ILE QD1 5.50 (# 4527:20 Single
Ambig)
&rst
ixpk= 4527, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1056, 842,
igr2=1091,1092,1093,
&end
#
# 0 AMB 20-2:4528 76 ILE HA 5.50 (# 4528:20 Single
Ambig)
&rst
ixpk= 4528, nxpk= 20, iat= -1,1099, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2262,2263,1217,1218,
&end
#
# 110 PHE HD 76 ILE HG1+ 5.50 (# 4529:20 Unique
3.03, 6.04 A)
&rst
ixpk= 4529, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1644,1652,
igr2=1107,1108,
&end
#
# 135 VAL HB 73 ILE QD1 4.50 (# 4531:20 Unique
4.95, 6.19 A)
&rst
ixpk= 4531, nxpk= 20, iat=2036, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr2=1048,1049,1050,
&end
#
# 80 ASP HN 76 ILE QG2 5.50 (# 4532:20 Unique
3.67, 4.71 A)
&rst
ixpk= 4532, nxpk= 20, iat=1154, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=1103,1104,1105,
&end
#
# 85 PHE HD 76 ILE QG2 4.50 (# 4533:20 Unique
3.23, 6.94 A)
&rst
ixpk= 4533, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1235,1243,
igr2=1103,1104,1105,
&end
#
# 81 ILE HN 76 ILE QG2 4.50 (# 4534:20 Unique
2.64, 3.70 A)
&rst
ixpk= 4534, nxpk= 20, iat=1166, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr2=1103,1104,1105,
&end
#
# 84 MET HG+ 76 ILE QG2 4.50 (# 4535:20 Unique
2.86, 4.32 A)
&rst
ixpk= 4535, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1217,1218,
igr2=1103,1104,1105,
&end
#
# 84 MET HB+ 76 ILE QG2 2.80 (# 4536:20 Unique
2.49, 4.12 A)
&rst
ixpk= 4536, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1=1214,1215,
igr2=1103,1104,1105,
&end
#
# 58 LEU HB+ 105 ILE QG2 2.80 (# 4537:20 Unique
2.25, 3.57 A)
&rst
ixpk= 4537, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1= 825, 826,
igr2=1566,1567,1568,
&end
#
# 150 GLN HE2- 77 ASP HB+ 5.50 (# 4538:20 Unique
2.63, 4.26 A)
&rst
ixpk= 4538, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2267,2268,
igr2=1120,1121,
&end
#
# 81 ILE HN 77 ASP HB+ 5.50 (# 4539:20 Unique
4.61, 5.36 A)
&rst
ixpk= 4539, nxpk= 20, iat=1166, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1120,1121,
&end
#
# 78 PRO HD+ 77 ASP HB+ 5.50 (# 4540:20 Unique
3.70, 4.44 A)
&rst
ixpk= 4540, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1129,1130,
igr2=1120,1121,
&end
#
# 76 ILE QG2 77 ASP HB+ 5.50 (# 4541:20 Unique
4.23, 5.69 A)
&rst
ixpk= 4541, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1103,1104,1105,
igr2=1120,1121,
&end
#
# 0 AMB 20-2:4543 78 PRO HA 5.50 (# 4543:20 Single
Ambig)
&rst
ixpk= 4543, nxpk= 20, iat= -1,1138, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1158,1159,1146,1147,
&end
#
# 0 AMB 20-2:4544 0 AMB 20-1:4544 5.50 (# 4544:20 Double
Ambig)
&rst
ixpk= 4544, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1806, 35,
igr2= 164, 165, 474,
&end
#
# 0 AMB 20-2:4545 0 AMB 20-1:4545 5.50 (# 4545:20 Double
Ambig)
&rst
ixpk= 4545, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1= 35, 21,
igr2= 776, 777, 776, 777,
&end
#
# 0 AMB 20-2:4546 0 AMB 20-1:4546 5.50 (# 4546:20 Double
Ambig)
&rst
ixpk= 4546, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=1013,1636,
igr2=1003,1004,1132,1133,
&end
#
# 78 PRO HG- 78 PRO HD+ 3.50 (# 4547:20 Unique
2.27, 2.61 A)
&rst
ixpk= 4547, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1132,1133,
igr2=1129,1130,
&end
#
# 77 ASP HN 78 PRO HD+ 5.50 (# 4548:20 Unique
4.65, 5.01 A)
&rst
ixpk= 4548, nxpk= 20, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1129,1130,
&end
#
# 77 ASP HB+ 78 PRO HD- 5.50 (# 4549:20 Unique
3.70, 4.44 A)
&rst
ixpk= 4549, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1120,1121,
igr2=1129,1130,
&end
#
# 0 AMB 20-2:4550 78 PRO HD- 5.50 (# 4550:20 Single
Ambig)
&rst
ixpk= 4550, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=1120,1121,1394,1395,1146,1147,
igr2=1129,1130,
&end
#
# 76 ILE QG2 78 PRO HD- 5.50 (# 4551:20 Unique
5.49, 7.13 A)
&rst
ixpk= 4551, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1103,1104,1105,
igr2=1129,1130,
&end
#
# 0 AMB 20-2:4552 78 PRO HD- 5.50 (# 4552:20 Single
Ambig)
&rst
ixpk= 4552, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.58,
r4=10.08,
igr1=1607,1608,1609,1611,1612,1613,1607,1608,1609,1611,
1612,1613,1454,1455,
igr2=1129,1130,
&end
#
# 78 PRO HB- 79 ASP HA 5.50 (# 4553:20 Unique
4.16, 4.81 A)
&rst
ixpk= 4553, nxpk= 20, iat= -1,1144, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1135,1136,
&end
#
# 0 AMB 20-2:4555 81 ILE HA 5.50 (# 4555:20 Single
Ambig)
&rst
ixpk= 4555, nxpk= 20, iat= -1,1168, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1158,1159,1394,1395,
&end
#
# 84 MET HG+ 81 ILE HA 5.50 (# 4556:20 Unique
4.06, 4.40 A)
&rst
ixpk= 4556, nxpk= 20, iat= -1,1168, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1217,1218,
&end
#
# 84 MET HB- 81 ILE HG1- 4.50 (# 4557:20 Unique
4.15, 5.60 A)
&rst
ixpk= 4557, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1214,1215,
igr2=1176,1177,
&end
#
# 81 ILE HB 81 ILE HG1- 3.50 (# 4558:20 Unique
2.42, 2.75 A)
&rst
ixpk= 4558, nxpk= 20, iat=1170, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1176,1177,
&end
#
# 81 ILE HB 81 ILE HG1+ 3.50 (# 4559:20 Unique
2.42, 2.75 A)
&rst
ixpk= 4559, nxpk= 20, iat=1170, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1176,1177,
&end
#
# 76 ILE HA 81 ILE QD1 5.50 (# 4560:20 Unique
4.71, 5.91 A)
&rst
ixpk= 4560, nxpk= 20, iat=1099, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=1179,1180,1181,
&end
#
# 78 PRO HB- 81 ILE QD1 5.50 (# 4563:20 Unique
2.81, 4.97 A)
&rst
ixpk= 4563, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1135,1136,
igr2=1179,1180,1181,
&end
#
# 0 AMB 20-2:4564 81 ILE QD1 2.80 (# 4564:20 Single
Ambig)
&rst
ixpk= 4564, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4=
4.90,
igr1=1176,1177,1450,1451,1452,
igr2=1179,1180,1181,
&end
#
# 104 ASP HN 105 ILE QG2 5.50 (# 4565:20 Unique
5.94, 6.45 A)
&rst
ixpk= 4565, nxpk= 20, iat=1548, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=1566,1567,1568,
&end
#
# 85 PHE HB+ 81 ILE QG2 5.50 (# 4566:20 Unique
2.69, 4.24 A)
&rst
ixpk= 4566, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1231,1232,
igr2=1172,1173,1174,
&end
#
# 95 ASN HD2+ 82 ALA HA 5.50 (# 4567:20 Unique
3.27, 3.88 A)
&rst
ixpk= 4567, nxpk= 20, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1399,1400,
&end
#
# 0 AMB 20-2:4569 72 GLU HA 5.50 (# 4569:20 Single
Ambig)
&rst
ixpk= 4569, nxpk= 20, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1701,1054,
&end
#
# 85 PHE HA 85 PHE HB- 3.50 (# 4570:20 Unique
2.70, 2.87 A)
&rst
ixpk= 4570, nxpk= 20, iat=1229, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1231,1232,
&end
#
# 81 ILE QG2 85 PHE HB- 5.50 (# 4571:20 Unique
2.69, 4.24 A)
&rst
ixpk= 4571, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1172,1173,1174,
igr2=1231,1232,
&end
#
# 81 ILE QD1 85 PHE HB- 5.50 (# 4572:20 Unique
5.51, 7.34 A)
&rst
ixpk= 4572, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1179,1180,1181,
igr2=1231,1232,
&end
#
# 84 MET HB- 85 PHE HB- 5.50 (# 4573:20 Unique
4.47, 5.71 A)
&rst
ixpk= 4573, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1214,1215,
igr2=1231,1232,
&end
#
# 0 AMB 20-2:4574 0 AMB 20-1:4574 5.50 (# 4574:20 Double
Ambig)
&rst
ixpk= 4574, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=1187,1373,
igr2=1231,1232,1231,1232,
&end
#
# 0 AMB 20-2:4575 85 PHE HB- 5.50 (# 4575:20 Single
Ambig)
&rst
ixpk= 4575, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1187,1373,
igr2=1231,1232,
&end
#
# 0 AMB 20-2:4578 0 AMB 20-1:4578 3.50 (# 4578:20 Double
Ambig)
&rst
ixpk= 4578, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1=1264,1309,
igr2=1268,1269,1251,1252,1251,1252,
&end
#
# 123 PRO HD+ 123 PRO HA 4.50 (# 4579:20 Unique
3.65, 3.89 A)
&rst
ixpk= 4579, nxpk= 20, iat= -1,1858, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1849,1850,
&end
#
# 88 THR HA 88 THR HB 2.80 (# 4580:20 Unique
2.26, 2.52 A)
&rst
ixpk= 4580, nxpk= 20, iat=1283,1285, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 86 MET HB- 89 THR HA 5.50 (# 4582:20 Unique
3.63, 6.25 A)
&rst
ixpk= 4582, nxpk= 20, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1251,1252,
&end
#
# 94 LEU HB+ 91 ASN HB+ 5.50 (# 4586:20 Unique
5.64, 7.51 A)
&rst
ixpk= 4586, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1375,1376,
igr2=1330,1331,
&end
#
# 94 LEU HB+ 91 ASN HB- 5.50 (# 4587:20 Unique
5.64, 7.51 A)
&rst
ixpk= 4587, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1375,1376,
igr2=1330,1331,
&end
#
# 64 THR MG2 91 ASN HB- 5.50 (# 4588:20 Unique
5.12, 7.37 A)
&rst
ixpk= 4588, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 922, 923, 924,
igr2=1330,1331,
&end
#
# 42 ALA HA 94 LEU MDX 5.50 (# 4589:20 Unique
4.78, 7.26 A)
&rst
ixpk= 4589, nxpk= 20, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2=1380,1381,1382,1384,1385,1386,
&end
#
# 0 AMB 20-2:4591 94 LEU MDX 5.50 (# 4591:20 Single
Ambig)
&rst
ixpk= 4591, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4=
9.40,
igr1=1229,1342, 114,
igr2=1380,1381,1382,1384,1385,1386,
&end
#
# 46 ASP HB- 97 LEU MDX 4.50 (# 4593:20 Unique
4.72, 6.40 A)
&rst
ixpk= 4593, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1= 615, 616,
igr2=1434,1435,1436,1438,1439,1440,
&end
#
# 0 AMB 20-2:4594 94 LEU MDX 5.50 (# 4594:20 Single
Ambig)
&rst
ixpk= 4594, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4=
9.40,
igr1= 549,1367, 578,
igr2=1380,1381,1382,1384,1385,1386,
&end
#
# 43 PRO HA 97 LEU MDX 5.50 (# 4595:20 Unique
4.10, 5.46 A)
&rst
ixpk= 4595, nxpk= 20, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2=1434,1435,1436,1438,1439,1440,
&end
#
# 95 ASN HN 95 ASN HA 3.50 (# 4596:20 Unique
2.82, 2.84 A)
&rst
ixpk= 4596, nxpk= 20, iat=1390,1392, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 54 ARG HN 53 LEU HA 4.50 (# 4597:20 Unique
3.22, 3.27 A)
&rst
ixpk= 4597, nxpk= 20, iat= 745, 728, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 20-2:4598 53 LEU HA 5.50 (# 4598:20 Single
Ambig)
&rst
ixpk= 4598, nxpk= 20, iat= -1, 728, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1= 770, 771, 670,
&end
#
# 81 ILE QD1 95 ASN HA 5.50 (# 4599:20 Unique
3.10, 4.36 A)
&rst
ixpk= 4599, nxpk= 20, iat= -1,1392, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1179,1180,1181,
&end
#
# 95 ASN HD2- 95 ASN HA 5.50 (# 4600:20 Unique
2.15, 4.36 A)
&rst
ixpk= 4600, nxpk= 20, iat= -1,1392, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1399,1400,
&end
#
# 0 AMB 20-2:4602 0 AMB 20-1:4602 5.50 (# 4602:20 Double
Ambig)
&rst
ixpk= 4602, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4=
9.56,
igr1=1754,1755,1189,1190,1191,
igr2=1831,1832,1394,1395,
&end
#
# 95 ASN HA 0 AMB 20-1:4603 5.50 (# 4603:20 Single
Ambig)
&rst
ixpk= 4603, nxpk= 20, iat=1392, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr2=1408,1409,1408,1409,
&end
#
# 0 AMB 20-2:4605 0 AMB 20-1:4605 5.50 (# 4605:20 Double
Ambig)
&rst
ixpk= 4605, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4=
9.23,
igr1=1429,1430,1429,1430,
igr2=1408,1409,1408,1409,
&end
#
# 47 ILE QD1 97 LEU HA 2.80 (# 4606:20 Unique
2.18, 3.42 A)
&rst
ixpk= 4606, nxpk= 20, iat= -1,1427, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr1= 636, 637, 638,
&end
#
# 0 AMB 20-2:4607 0 AMB 20-1:4607 3.50 (# 4607:20 Double
Ambig)
&rst
ixpk= 4607, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4=
5.45,
igr1= 584,1373,
igr2=1429,1430,1429,1430,
&end
#
# 99 ASP HN 97 LEU HB+ 5.50 (# 4608:20 Unique
4.85, 5.62 A)
&rst
ixpk= 4608, nxpk= 20, iat=1463, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1429,1430,
&end
#
# 0 AMB 20-2:4610 0 AMB 20-1:4610 4.50 (# 4610:20 Double
Ambig)
&rst
ixpk= 4610, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4=
8.68,
igr1=1482,1483,1479,1480,1479,1480,
igr2=1429,1430,1429,1430,1429,1430,
&end
#
# 145 ASN HD2+ 75 ILE HG1- 5.50 (# 4611:20 Unique
2.51, 3.44 A)
&rst
ixpk= 4611, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2206,2207,
igr2=1088,1089,
&end
#
# 98 ILE HA 97 LEU MDX 5.50 (# 4612:20 Unique
2.57, 5.20 A)
&rst
ixpk= 4612, nxpk= 20, iat=1446, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2=1434,1435,1436,1438,1439,1440,
&end
#
# 47 ILE HA 97 LEU MDX 5.50 (# 4613:20 Unique
3.23, 5.58 A)
&rst
ixpk= 4613, nxpk= 20, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2=1434,1435,1436,1438,1439,1440,
&end
#
# 43 PRO HD- 94 LEU MDX 5.50 (# 4614:20 Unique
2.97, 5.36 A)
&rst
ixpk= 4614, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 569, 570,
igr2=1380,1381,1382,1384,1385,1386,
&end
#
# 47 ILE HN 97 LEU MDX 5.50 (# 4615:20 Unique
3.85, 5.88 A)
&rst
ixpk= 4615, nxpk= 20, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2=1434,1435,1436,1438,1439,1440,
&end
#
# 97 LEU HN 97 LEU MDX 5.50 (# 4616:20 Unique
3.99, 4.99 A)
&rst
ixpk= 4616, nxpk= 20, iat=1425, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2=1434,1435,1436,1438,1439,1440,
&end
#
# 0 AMB 20-2:4617 97 LEU MDX 5.50 (# 4617:20 Single
Ambig)
&rst
ixpk= 4617, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=1492,1475,
igr2=1434,1435,1436,1438,1439,1440,
&end
#
# 98 ILE HN 97 LEU MDX 5.50 (# 4618:20 Unique
3.06, 4.85 A)
&rst
ixpk= 4618, nxpk= 20, iat=1444, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2=1434,1435,1436,1438,1439,1440,
&end
#
# 44 GLU HN 97 LEU MDX 5.50 (# 4619:20 Unique
3.18, 5.16 A)
&rst
ixpk= 4619, nxpk= 20, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2=1434,1435,1436,1438,1439,1440,
&end
#
# 97 LEU HN 97 LEU MDY 5.50 (# 4621:20 Unique
3.99, 4.99 A)
&rst
ixpk= 4621, nxpk= 20, iat=1425, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2=1434,1435,1436,1438,1439,1440,
&end
#
# 100 GLN HE2- 97 LEU MDY 5.50 (# 4624:20 Unique
3.68, 6.69 A)
&rst
ixpk= 4624, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=1487,1488,
igr2=1434,1435,1436,1438,1439,1440,
&end
#
# 96 TYR HD 97 LEU MDY 5.50 (# 4625:20 Unique
5.94, 7.68 A)
&rst
ixpk= 4625, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=1412,1421,
igr2=1434,1435,1436,1438,1439,1440,
&end
#
# 97 LEU HG 98 ILE HA 4.50 (# 4626:20 Unique
2.79, 3.16 A)
&rst
ixpk= 4626, nxpk= 20, iat=1432,1446, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 20-2:4627 98 ILE HA 5.50 (# 4627:20 Single
Ambig)
&rst
ixpk= 4627, nxpk= 20, iat= -1,1446, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=1515,1516,1479,1480,1479,1480,1482,1483,
&end
#
# 81 ILE QD1 98 ILE HB 5.50 (# 4628:20 Unique
3.95, 5.10 A)
&rst
ixpk= 4628, nxpk= 20, iat= -1,1448, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1179,1180,1181,
&end
#
# 97 LEU HN 98 ILE HG1- 5.50 (# 4629:20 Unique
3.85, 5.25 A)
&rst
ixpk= 4629, nxpk= 20, iat=1425, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1454,1455,
&end
#
# 95 ASN HA 98 ILE HG1+ 5.50 (# 4630:20 Unique
2.74, 4.14 A)
&rst
ixpk= 4630, nxpk= 20, iat=1392, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1454,1455,
&end
#
# 95 ASN HB- 98 ILE QG2 4.50 (# 4634:20 Unique
4.15, 5.87 A)
&rst
ixpk= 4634, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1394,1395,
igr2=1450,1451,1452,
&end
#
# 0 AMB 20-2:4635 98 ILE QG2 5.50 (# 4635:20 Single
Ambig)
&rst
ixpk= 4635, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=1467,1468,1394,1395,
igr2=1450,1451,1452,
&end
#
# 0 AMB 20-2:4636 98 ILE QG2 3.50 (# 4636:20 Single
Ambig)
&rst
ixpk= 4636, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1=1132,1133,1135,1136,
igr2=1450,1451,1452,
&end
#
# 0 AMB 20-2:4637 98 ILE QG2 2.80 (# 4637:20 Single
Ambig)
&rst
ixpk= 4637, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4=
5.03,
igr1=1521,1522,1521,1522,1454,1455,
igr2=1450,1451,1452,
&end
#
# 0 AMB 20-2:4638 0 AMB 20-1:4638 4.50 (# 4638:20 Double
Ambig)
&rst
ixpk= 4638, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1477,2146,2147,
igr2=1465,2112,
&end
#
# 25 LYS HA 28 ALA HA 5.50 (# 4639:20 Unique
5.46, 5.51 A)
&rst
ixpk= 4639, nxpk= 20, iat= 328, 371, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 20-2:4640 99 ASP HA 5.50 (# 4640:20 Single
Ambig)
&rst
ixpk= 4640, nxpk= 20, iat= -1,1465, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1533,1444,
&end
#
# 96 TYR HD 99 ASP HB+ 5.50 (# 4641:20 Unique
4.04, 6.72 A)
&rst
ixpk= 4641, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1412,1421,
igr2=1467,1468,
&end
#
# 100 GLN HA 99 ASP HB+ 5.50 (# 4642:20 Unique
4.32, 5.10 A)
&rst
ixpk= 4642, nxpk= 20, iat=1477, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1467,1468,
&end
#
# 0 AMB 20-2:4643 0 AMB 20-1:4643 4.50 (# 4643:20 Double
Ambig)
&rst
ixpk= 4643, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4=
8.43,
igr1=1448,1515,1516,1132,1133,
igr2=1467,1468,1467,1468,1467,1468,
&end
#
# 0 AMB 20-2:4644 0 AMB 20-1:4644 5.50 (# 4644:20 Double
Ambig)
&rst
ixpk= 4644, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.00,
r4=11.50,
igr1=1482,1483,1135,1136,1479,1480,1479,1480,
igr2=1467,1468,1467,1468,1467,1468,1467,1468,
&end
#
# 98 ILE QG2 99 ASP HB+ 4.50 (# 4646:20 Unique
3.93, 5.81 A)
&rst
ixpk= 4646, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1450,1451,1452,
igr2=1467,1468,
&end
#
# 0 AMB 20-2:4647 0 AMB 20-1:4647 5.50 (# 4647:20 Double
Ambig)
&rst
ixpk= 4647, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4=
9.23,
igr1=1521,1522,1521,1522,
igr2=1467,1468,1467,1468,
&end
#
# 0 AMB 20-2:4648 0 AMB 20-1:4648 4.50 (# 4648:20 Double
Ambig)
&rst
ixpk= 4648, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1=1448,1132,1133,
igr2=1467,1468,1146,1147,
&end
#
# 96 TYR HD 99 ASP HB- 5.50 (# 4649:20 Unique
4.04, 6.72 A)
&rst
ixpk= 4649, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1412,1421,
igr2=1467,1468,
&end
#
# 102 LYS HN 100 GLN HA 5.50 (# 4651:20 Unique
4.19, 4.55 A)
&rst
ixpk= 4651, nxpk= 20, iat=1511,1477, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 100 GLN HE2- 100 GLN HA 5.50 (# 4653:20 Unique
2.99, 4.56 A)
&rst
ixpk= 4653, nxpk= 20, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1487,1488,
&end
#
# 0 AMB 20-2:4654 100 GLN HA 5.50 (# 4654:20 Single
Ambig)
&rst
ixpk= 4654, nxpk= 20, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1467,1468,1552,1553,
&end
#
# 99 ASP HB- 100 GLN HA 5.50 (# 4655:20 Unique
4.32, 5.10 A)
&rst
ixpk= 4655, nxpk= 20, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1467,1468,
&end
#
# 103 GLU HG+ 100 GLN HA 4.50 (# 4656:20 Unique
2.50, 4.35 A)
&rst
ixpk= 4656, nxpk= 20, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1540,1541,
&end
#
# 101 LEU HB- 100 GLN HA 5.50 (# 4657:20 Unique
5.25, 6.07 A)
&rst
ixpk= 4657, nxpk= 20, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1496,1497,
&end
#
# 0 AMB 20-2:4658 0 AMB 20-1:4658 2.80 (# 4658:20 Double
Ambig)
&rst
ixpk= 4658, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4=
6.49,
igr1=1501,1502,1503,1505,1506,1507, 629, 630, 631, 636,
637, 638,
igr2=1479,1480,1479,1480,1479,1480,1479,1480,
&end
#
# 100 GLN HE2- 0 AMB 20-1:4660 5.50 (# 4660:20 Single
Ambig)
&rst
ixpk= 4660, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=1487,1488,
igr2=1479,1480,1479,1480,
&end
#
# 0 AMB 20-2:4661 51 ARG HG- 5.50 (# 4661:20 Single
Ambig)
&rst
ixpk= 4661, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 711,1511,
igr2= 694, 695,
&end
#
# 0 AMB 20-2:4662 51 ARG HG- 5.50 (# 4662:20 Single
Ambig)
&rst
ixpk= 4662, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 644, 625,
igr2= 694, 695,
&end
#
# 51 ARG HE 51 ARG HG- 5.50 (# 4663:20 Unique
2.50, 2.74 A)
&rst
ixpk= 4663, nxpk= 20, iat= 700, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 694, 695,
&end
#
# 97 LEU HA 100 GLN HG- 5.50 (# 4664:20 Unique
2.81, 5.09 A)
&rst
ixpk= 4664, nxpk= 20, iat=1427, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1482,1483,
&end
#
# 97 LEU HA 100 GLN HG+ 5.50 (# 4665:20 Unique
2.81, 5.09 A)
&rst
ixpk= 4665, nxpk= 20, iat=1427, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1482,1483,
&end
#
# 0 AMB 20-2:4666 101 LEU HB- 3.50 (# 4666:20 Single
Ambig)
&rst
ixpk= 4666, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4=
7.30,
igr1=1501,1502,1503,1505,1506,1507, 830, 831, 832, 834,
835, 836,1607,1608,1609,1611,1612,1613,1607,1608,
1609,1611,1612,1613, 674, 675, 676,
igr2=1496,1497,
&end
#
# 98 ILE HA 101 LEU HB+ 5.50 (# 4668:20 Unique
2.50, 3.62 A)
&rst
ixpk= 4668, nxpk= 20, iat=1446, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1496,1497,
&end
#
# 0 AMB 20-2:4669 101 LEU HB- 5.50 (# 4669:20 Single
Ambig)
&rst
ixpk= 4669, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1513, 770, 771,
igr2=1496,1497,
&end
#
# 0 AMB 20-2:4670 0 AMB 20-1:4670 5.50 (# 4670:20 Double
Ambig)
&rst
ixpk= 4670, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=1513, 770, 771,
igr2=1496,1497,1496,1497,
&end
#
# 138 ARG HD- 138 ARG HG- 4.50 (# 4673:20 Unique
2.24, 2.62 A)
&rst
ixpk= 4673, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=2096,2097,
igr2=2093,2094,
&end
#
# 146 GLY HA+ 138 ARG HG- 5.50 (# 4674:20 Unique
2.27, 3.64 A)
&rst
ixpk= 4674, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2213,2214,
igr2=2093,2094,
&end
#
# 51 ARG HE 101 LEU MDY 5.50 (# 4675:20 Unique
2.62, 5.21 A)
&rst
ixpk= 4675, nxpk= 20, iat= 700, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2=1501,1502,1503,1505,1506,1507,
&end
#
# 58 LEU HN 108 VAL MGX 4.50 (# 4677:20 Unique
3.63, 5.30 A)
&rst
ixpk= 4677, nxpk= 20, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr2=1607,1608,1609,1611,1612,1613,
&end
#
# 0 AMB 20-2:4678 108 VAL MGX 3.50 (# 4678:20 Single
Ambig)
&rst
ixpk= 4678, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1=1617,1636,
igr2=1607,1608,1609,1611,1612,1613,
&end
#
# 58 LEU HA 108 VAL MGX 5.50 (# 4679:20 Unique
5.07, 6.52 A)
&rst
ixpk= 4679, nxpk= 20, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2=1607,1608,1609,1611,1612,1613,
&end
#
# 108 VAL HA 108 VAL MGX 2.80 (# 4680:20 Unique
2.33, 3.14 A)
&rst
ixpk= 4680, nxpk= 20, iat=1603, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr2=1607,1608,1609,1611,1612,1613,
&end
#
# 0 AMB 20-2:4681 102 LYS HA 2.80 (# 4681:20 Single
Ambig)
&rst
ixpk= 4681, nxpk= 20, iat= -1,1513, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr1=1515,1516,1605,
&end
#
# 103 GLU HG+ 102 LYS HG+ 5.50 (# 4682:20 Unique
2.21, 5.16 A)
&rst
ixpk= 4682, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1540,1541,
igr2=1518,1519,
&end
#
# 0 AMB 20-2:4683 0 AMB 20-1:4683 5.50 (# 4683:20 Double
Ambig)
&rst
ixpk= 4683, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4=
9.23,
igr1=1540,1541, 318, 319,
igr2=1518,1519, 333, 334,
&end
#
# 103 GLU HN 102 LYS HG- 4.50 (# 4684:20 Unique
2.33, 3.41 A)
&rst
ixpk= 4684, nxpk= 20, iat=1533, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1518,1519,
&end
#
# 102 LYS HA 0 AMB 20-1:4686 5.50 (# 4686:20 Single
Ambig)
&rst
ixpk= 4686, nxpk= 20, iat=1513, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr2=1524,1525,1524,1525,
&end
#
# 139 LEU HN 138 ARG HD- 5.50 (# 4687:20 Unique
5.06, 6.01 A)
&rst
ixpk= 4687, nxpk= 20, iat=2110, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2096,2097,
&end
#
# 0 AMB 20-2:4688 0 AMB 20-1:4688 5.50 (# 4688:20 Double
Ambig)
&rst
ixpk= 4688, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=1475,1492,
igr2=1524,1525,1524,1525,1524,1525,
&end
#
# 104 ASP HA 103 GLU HB- 4.50 (# 4689:20 Unique
4.64, 5.14 A)
&rst
ixpk= 4689, nxpk= 20, iat=1550, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1537,1538,
&end
#
# 104 ASP HN 103 GLU HG- 5.50 (# 4690:20 Unique
2.54, 4.05 A)
&rst
ixpk= 4690, nxpk= 20, iat=1548, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1540,1541,
&end
#
# 101 LEU HA 104 ASP HB- 5.50 (# 4691:20 Unique
2.52, 4.06 A)
&rst
ixpk= 4691, nxpk= 20, iat=1494, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1552,1553,
&end
#
# 101 LEU HA 104 ASP HB+ 5.50 (# 4692:20 Unique
2.52, 4.06 A)
&rst
ixpk= 4692, nxpk= 20, iat=1494, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1552,1553,
&end
#
# 101 LEU MDY 104 ASP HB- 5.50 (# 4693:20 Unique
3.78, 7.36 A)
&rst
ixpk= 4693, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=1501,1502,1503,1505,1506,1507,
igr2=1552,1553,
&end
#
# 105 ILE HG1+ 104 ASP HB- 5.50 (# 4694:20 Unique
2.48, 4.41 A)
&rst
ixpk= 4694, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1570,1571,
igr2=1552,1553,
&end
#
# 51 ARG HA 104 ASP HB- 5.50 (# 4695:20 Unique
4.36, 5.48 A)
&rst
ixpk= 4695, nxpk= 20, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1552,1553,
&end
#
# 0 AMB 20-2:4696 104 ASP HB- 5.50 (# 4696:20 Single
Ambig)
&rst
ixpk= 4696, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 770, 771,1513,
igr2=1552,1553,
&end
#
# 105 ILE HG1- 105 ILE QD1 2.80 (# 4697:20 Unique
2.31, 2.66 A)
&rst
ixpk= 4697, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1=1570,1571,
igr2=1573,1574,1575,
&end
#
# 104 ASP HB- 105 ILE QD1 5.50 (# 4698:20 Unique
4.12, 6.19 A)
&rst
ixpk= 4698, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1552,1553,
igr2=1573,1574,1575,
&end
#
# 51 ARG HA 105 ILE QD1 5.50 (# 4699:20 Unique
4.10, 5.43 A)
&rst
ixpk= 4699, nxpk= 20, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=1573,1574,1575,
&end
#
# 108 VAL HA 105 ILE QD1 5.50 (# 4700:20 Unique
4.63, 5.50 A)
&rst
ixpk= 4700, nxpk= 20, iat=1603, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=1573,1574,1575,
&end
#
# 58 LEU HA 105 ILE QD1 5.50 (# 4701:20 Unique
4.27, 5.21 A)
&rst
ixpk= 4701, nxpk= 20, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=1573,1574,1575,
&end
#
# 101 LEU HN 105 ILE QD1 5.50 (# 4702:20 Unique
5.26, 6.31 A)
&rst
ixpk= 4702, nxpk= 20, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=1573,1574,1575,
&end
#
# 56 THR HN 105 ILE QG2 5.50 (# 4705:20 Unique
4.30, 5.44 A)
&rst
ixpk= 4705, nxpk= 20, iat= 783, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=1566,1567,1568,
&end
#
# 58 LEU HA 105 ILE QG2 5.50 (# 4706:20 Unique
4.23, 5.06 A)
&rst
ixpk= 4706, nxpk= 20, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=1566,1567,1568,
&end
#
# 57 ARG HA 105 ILE QG2 4.50 (# 4707:20 Unique
2.29, 2.58 A)
&rst
ixpk= 4707, nxpk= 20, iat= 799, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr2=1566,1567,1568,
&end
#
# 0 AMB 20-2:4709 0 AMB 20-1:4709 5.50 (# 4709:20 Double
Ambig)
&rst
ixpk= 4709, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.80,
r4=10.30,
igr1=1754,1755,1769,1770,1771,1773,1774,1775,
igr2= 196, 197, 196, 197,
&end
#
# 0 AMB 20-2:4710 0 AMB 20-1:4710 5.50 (# 4710:20 Double
Ambig)
&rst
ixpk= 4710, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4=
9.84,
igr1=1627,1628, 804, 805, 804, 805,
igr2=2192,2193,1581,1582,
&end
#
# 0 AMB 20-2:4711 106 GLY HA- 4.50 (# 4711:20 Single
Ambig)
&rst
ixpk= 4711, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1562, 787,
igr2=1581,1582,
&end
#
# 105 ILE QG2 107 GLU HA 5.50 (# 4712:20 Unique
3.87, 5.01 A)
&rst
ixpk= 4712, nxpk= 20, iat= -1,1588, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1566,1567,1568,
&end
#
# 130 ASP HN 129 LYS HB+ 4.50 (# 4713:20 Unique
2.36, 2.90 A)
&rst
ixpk= 4713, nxpk= 20, iat=1965, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1947,1948,
&end
#
# 0 AMB 20-2:4715 108 VAL HA 2.80 (# 4715:20 Single
Ambig)
&rst
ixpk= 4715, nxpk= 20, iat= -1,1603, r1= 1.30, r2= 1.80, r3= 4.53, r4=
5.03,
igr1=1607,1608,1609,1611,1612,1613,1607,1608,1609,1611,
1612,1613, 830, 831, 832, 834, 835, 836,
&end
#
# 0 AMB 20-2:4716 108 VAL HA 3.50 (# 4716:20 Single
Ambig)
&rst
ixpk= 4716, nxpk= 20, iat= -1,1603, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr1=1605, 825, 826,
&end
#
# 109 ILE HN 108 VAL HA 2.80 (# 4717:20 Unique
2.04, 2.10 A)
&rst
ixpk= 4717, nxpk= 20, iat=1617,1603, r1= 1.30, r2= 1.80, r3= 2.80, r4=
3.30, &end
#
# 0 AMB 20-2:4718 0 AMB 20-1:4718 5.50 (# 4718:20 Double
Ambig)
&rst
ixpk= 4718, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=1586, 966,
igr2= 801, 802,1708,1709,
&end
#
# 60 ILE HN 108 VAL MGY 5.50 (# 4719:20 Unique
4.88, 7.32 A)
&rst
ixpk= 4719, nxpk= 20, iat= 859, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2=1607,1608,1609,1611,1612,1613,
&end
#
# 142 TRP HZ2 109 ILE HB 5.50 (# 4720:20 Unique
2.60, 3.92 A)
&rst
ixpk= 4720, nxpk= 20, iat=2164,1621, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 109 ILE HG1- 109 ILE HB 3.50 (# 4721:20 Unique
2.64, 2.87 A)
&rst
ixpk= 4721, nxpk= 20, iat= -1,1621, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1627,1628,
&end
#
# 107 GLU HG- 109 ILE HG1- 5.50 (# 4722:20 Unique
2.17, 3.39 A)
&rst
ixpk= 4722, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1593,1594,
igr2=1627,1628,
&end
#
# 0 AMB 20-2:4723 0 AMB 20-1:4723 4.50 (# 4723:20 Double
Ambig)
&rst
ixpk= 4723, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4=
7.64,
igr1=2090,2091,2090,2091,
igr2=2093,2094,2093,2094,
&end
#
# 0 AMB 20-2:4724 109 ILE HG1- 5.50 (# 4724:20 Single
Ambig)
&rst
ixpk= 4724, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1603,2199,
igr2=1627,1628,
&end
#
# 107 GLU HN 109 ILE QD1 5.50 (# 4726:20 Unique
5.01, 6.38 A)
&rst
ixpk= 4726, nxpk= 20, iat=1586, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=1630,1631,1632,
&end
#
# 109 ILE HG1- 109 ILE QD1 2.80 (# 4727:20 Unique
2.29, 2.67 A)
&rst
ixpk= 4727, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1=1627,1628,
igr2=1630,1631,1632,
&end
#
# 110 PHE HB- 110 PHE HA 4.50 (# 4728:20 Unique
2.55, 2.82 A)
&rst
ixpk= 4728, nxpk= 20, iat= -1,1638, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1640,1641,
&end
#
# 110 PHE HB+ 110 PHE HA 4.50 (# 4729:20 Unique
2.55, 2.82 A)
&rst
ixpk= 4729, nxpk= 20, iat= -1,1638, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1640,1641,
&end
#
# 0 AMB 20-2:4730 111 LEU HB- 5.50 (# 4730:20 Single
Ambig)
&rst
ixpk= 4730, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4=
8.57,
igr1=1088,1089, 863,1627,1628,
igr2=1660,1661,
&end
#
# 0 AMB 20-2:4731 0 AMB 20-1:4731 5.50 (# 4731:20 Double
Ambig)
&rst
ixpk= 4731, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70,
r4=10.20,
igr1=1088,1089, 863, 869, 870,
igr2=1660,1661,1660,1661,1660,1661,
&end
#
# 59 LEU MDY 111 LEU HB+ 3.50 (# 4732:20 Unique
2.50, 4.50 A)
&rst
ixpk= 4732, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1= 849, 850, 851, 853, 854, 855,
igr2=1660,1661,
&end
#
# 111 LEU HB+ 111 LEU HG 4.50 (# 4733:20 Unique
2.62, 2.85 A)
&rst
ixpk= 4733, nxpk= 20, iat= -1,1663, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1660,1661,
&end
#
# 0 AMB 20-2:4736 111 LEU MDX 5.50 (# 4736:20 Single
Ambig)
&rst
ixpk= 4736, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=2227,2022,
igr2=1665,1666,1667,1669,1670,1671,
&end
#
# 74 ARG HA 111 LEU MDX 5.50 (# 4737:20 Unique
5.28, 6.54 A)
&rst
ixpk= 4737, nxpk= 20, iat=1056, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2=1665,1666,1667,1669,1670,1671,
&end
#
# 148 PHE HB- 111 LEU MDX 5.50 (# 4738:20 Unique
2.98, 5.29 A)
&rst
ixpk= 4738, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=2229,2230,
igr2=1665,1666,1667,1669,1670,1671,
&end
#
# 111 LEU HB+ 111 LEU MDX 2.80 (# 4739:20 Unique
2.20, 3.25 A)
&rst
ixpk= 4739, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4=
4.74,
igr1=1660,1661,
igr2=1665,1666,1667,1669,1670,1671,
&end
#
# 75 ILE HG1+ 111 LEU MDX 4.50 (# 4741:20 Unique
3.99, 6.73 A)
&rst
ixpk= 4741, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1=1088,1089,
igr2=1665,1666,1667,1669,1670,1671,
&end
#
# 0 AMB 20-2:4744 112 GLY HA- 5.50 (# 4744:20 Single
Ambig)
&rst
ixpk= 4744, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1054,1701,
igr2=1677,1678,
&end
#
# 0 AMB 20-2:4747 0 AMB 20-1:4747 5.50 (# 4747:20 Double
Ambig)
&rst
ixpk= 4747, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=1686,1660,1661,
igr2=1677,1678,1677,1678,
&end
#
# 112 GLY HN 113 ILE HA 5.50 (# 4748:20 Unique
5.18, 5.22 A)
&rst
ixpk= 4748, nxpk= 20, iat=1675,1684, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 20-2:4749 113 ILE HB 5.50 (# 4749:20 Single
Ambig)
&rst
ixpk= 4749, nxpk= 20, iat= -1,1686, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1981,1982,1983, 882,
&end
#
# 129 LYS HN 113 ILE QG2 5.50 (# 4751:20 Unique
5.99, 6.73 A)
&rst
ixpk= 4751, nxpk= 20, iat=1943, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=1688,1689,1690,
&end
#
# 0 AMB 20-2:4753 113 ILE QD1 4.50 (# 4753:20 Single
Ambig)
&rst
ixpk= 4753, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1926, 284,
igr2=1695,1696,1697,
&end
#
# 131 ALA HN 113 ILE QD1 5.50 (# 4754:20 Unique
5.18, 6.33 A)
&rst
ixpk= 4754, nxpk= 20, iat=1977, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=1695,1696,1697,
&end
#
# 118 VAL MGX 115 PRO HB- 4.50 (# 4755:20 Unique
2.14, 4.92 A)
&rst
ixpk= 4755, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1=1769,1770,1771,1773,1774,1775,
igr2=1725,1726,
&end
#
# 63 ALA MB 115 PRO HB+ 3.50 (# 4756:20 Unique
2.26, 3.95 A)
&rst
ixpk= 4756, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1= 910, 911, 912,
igr2=1725,1726,
&end
#
# 63 ALA MB 115 PRO HB- 4.50 (# 4757:20 Unique
2.26, 3.95 A)
&rst
ixpk= 4757, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1= 910, 911, 912,
igr2=1725,1726,
&end
#
# 0 AMB 20-2:4758 0 AMB 20-1:4758 5.50 (# 4758:20 Double
Ambig)
&rst
ixpk= 4758, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=1703, 203,
igr2=1722,1723,1722,1723,
&end
#
# 128 ILE QD1 115 PRO HD+ 5.50 (# 4759:20 Unique
5.74, 6.80 A)
&rst
ixpk= 4759, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1937,1938,1939,
igr2=1719,1720,
&end
#
# 63 ALA HA 115 PRO HD+ 5.50 (# 4760:20 Unique
3.52, 4.48 A)
&rst
ixpk= 4760, nxpk= 20, iat= 908, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1719,1720,
&end
#
# 127 PRO HB- 127 PRO HD- 4.50 (# 4761:20 Unique
2.80, 3.68 A)
&rst
ixpk= 4761, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1917,1918,
igr2=1911,1912,
&end
#
# 70 PRO HB- 116 ASP HB- 3.50 (# 4762:20 Unique
2.11, 3.34 A)
&rst
ixpk= 4762, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1006,1007,
igr2=1736,1737,
&end
#
# 0 AMB 20-2:4763 0 AMB 20-1:4763 4.50 (# 4763:20 Double
Ambig)
&rst
ixpk= 4763, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1= 350,1099,
igr2= 416, 417,1120,1121,
&end
#
# 117 ILE HG1+ 117 ILE HA 4.50 (# 4764:20 Unique
3.35, 4.01 A)
&rst
ixpk= 4764, nxpk= 20, iat= -1,1746, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1754,1755,
&end
#
# 0 AMB 20-2:4766 117 ILE HB 5.50 (# 4766:20 Single
Ambig)
&rst
ixpk= 4766, nxpk= 20, iat= -1,1748, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1765,1881,
&end
#
# 117 ILE QG2 117 ILE HG1+ 2.80 (# 4768:20 Unique
2.19, 3.11 A)
&rst
ixpk= 4768, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1=1750,1751,1752,
igr2=1754,1755,
&end
#
# 125 THR MG2 117 ILE HG1- 3.50 (# 4769:20 Unique
2.12, 3.31 A)
&rst
ixpk= 4769, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1=1885,1886,1887,
igr2=1754,1755,
&end
#
# 116 ASP HB- 117 ILE HG1- 5.50 (# 4770:20 Unique
3.65, 5.68 A)
&rst
ixpk= 4770, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1736,1737,
igr2=1754,1755,
&end
#
# 122 TYR HB- 117 ILE HG1- 5.50 (# 4771:20 Unique
2.38, 4.95 A)
&rst
ixpk= 4771, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1831,1832,
igr2=1754,1755,
&end
#
# 116 ASP HB+ 117 ILE HG1- 5.50 (# 4773:20 Unique
3.65, 5.68 A)
&rst
ixpk= 4773, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1736,1737,
igr2=1754,1755,
&end
#
# 14 GLY HA+ 117 ILE HG1+ 5.50 (# 4774:20 Unique
2.99, 4.38 A)
&rst
ixpk= 4774, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 196, 197,
igr2=1754,1755,
&end
#
# 122 TYR HD 117 ILE HG1- 5.50 (# 4775:20 Unique
2.94, 6.26 A)
&rst
ixpk= 4775, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1835,1844,
igr2=1754,1755,
&end
#
# 118 VAL HN 117 ILE HG1- 5.50 (# 4776:20 Unique
3.94, 4.94 A)
&rst
ixpk= 4776, nxpk= 20, iat=1763, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1754,1755,
&end
#
# 122 TYR HE 117 ILE QD1 4.50 (# 4777:20 Unique
3.07, 6.07 A)
&rst
ixpk= 4777, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1837,1842,
igr2=1757,1758,1759,
&end
#
# 119 GLY HN 117 ILE QD1 5.50 (# 4778:20 Unique
3.51, 4.63 A)
&rst
ixpk= 4778, nxpk= 20, iat=1779, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=1757,1758,1759,
&end
#
# 0 AMB 20-2:4779 117 ILE QD1 4.50 (# 4779:20 Single
Ambig)
&rst
ixpk= 4779, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1829,1788,
igr2=1757,1758,1759,
&end
#
# 0 AMB 20-2:4780 60 ILE QG2 4.50 (# 4780:20 Single
Ambig)
&rst
ixpk= 4780, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1= 898, 899,1640,1641,
igr2= 865, 866, 867,
&end
#
# 62 ASP HB- 60 ILE QG2 4.50 (# 4781:20 Unique
3.89, 5.54 A)
&rst
ixpk= 4781, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1= 898, 899,
igr2= 865, 866, 867,
&end
#
# 95 ASN HB- 81 ILE QG2 5.50 (# 4782:20 Unique
2.24, 3.85 A)
&rst
ixpk= 4782, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1394,1395,
igr2=1172,1173,1174,
&end
#
# 14 GLY HA- 118 VAL HA 3.50 (# 4784:20 Unique
2.43, 3.45 A)
&rst
ixpk= 4784, nxpk= 20, iat= -1,1765, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1= 196, 197,
&end
#
# 0 AMB 20-2:4785 125 THR HA 4.50 (# 4785:20 Single
Ambig)
&rst
ixpk= 4785, nxpk= 20, iat= -1,1881, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1897,1898,1897,1898,1855,1856,
&end
#
# 122 TYR HB+ 118 VAL HA 5.50 (# 4786:20 Unique
3.91, 4.70 A)
&rst
ixpk= 4786, nxpk= 20, iat= -1,1765, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1831,1832,
&end
#
# 119 GLY HA- 118 VAL HA 5.50 (# 4787:20 Unique
4.39, 4.46 A)
&rst
ixpk= 4787, nxpk= 20, iat= -1,1765, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1781,1782,
&end
#
# 119 GLY HN 118 VAL HB 5.50 (# 4788:20 Unique
4.20, 4.27 A)
&rst
ixpk= 4788, nxpk= 20, iat=1779,1767, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 117 ILE HA 118 VAL HB 5.50 (# 4789:20 Unique
4.51, 4.56 A)
&rst
ixpk= 4789, nxpk= 20, iat=1746,1767, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 20-2:4790 0 AMB 20-1:4790 2.80 (# 4790:20 Double
Ambig)
&rst
ixpk= 4790, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4=
5.59,
igr1= 629, 630, 631, 636, 637, 638,1769,1770,1771,1773,
1774,1775,
igr2=1482,1483,1767,
&end
#
# 118 VAL MGY 118 VAL HB 2.80 (# 4791:20 Unique
2.41, 2.67 A)
&rst
ixpk= 4791, nxpk= 20, iat= -1,1767, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1=1769,1770,1771,1773,1774,1775,
&end
#
# 125 THR HN 124 MET HB+ 5.50 (# 4792:20 Unique
4.05, 4.19 A)
&rst
ixpk= 4792, nxpk= 20, iat=1879, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1866,1867,
&end
#
# 0 AMB 20-2:4793 114 GLN HG- 4.50 (# 4793:20 Single
Ambig)
&rst
ixpk= 4793, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1009,1719,1720,
igr2=1708,1709,
&end
#
# 0 AMB 20-2:4794 0 AMB 20-1:4794 3.50 (# 4794:20 Double
Ambig)
&rst
ixpk= 4794, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1=1009,1719,1720,
igr2=1708,1709,1708,1709,
&end
#
# 115 PRO HD- 118 VAL MGX 5.50 (# 4795:20 Unique
5.39, 7.63 A)
&rst
ixpk= 4795, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=1719,1720,
igr2=1769,1770,1771,1773,1774,1775,
&end
#
# 119 GLY HA- 118 VAL MGX 5.50 (# 4796:20 Unique
3.27, 5.83 A)
&rst
ixpk= 4796, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=1781,1782,
igr2=1769,1770,1771,1773,1774,1775,
&end
#
# 0 AMB 20-2:4798 118 VAL MGX 5.50 (# 4798:20 Single
Ambig)
&rst
ixpk= 4798, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4=
9.84,
igr1= 196, 197,1719,1720,
igr2=1769,1770,1771,1773,1774,1775,
&end
#
# 0 AMB 20-2:4799 118 VAL MGX 3.50 (# 4799:20 Single
Ambig)
&rst
ixpk= 4799, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1= 215,1788,
igr2=1769,1770,1771,1773,1774,1775,
&end
#
# 119 GLY HN 118 VAL MGX 5.50 (# 4800:20 Unique
2.96, 4.29 A)
&rst
ixpk= 4800, nxpk= 20, iat=1779, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2=1769,1770,1771,1773,1774,1775,
&end
#
# 117 ILE HN 118 VAL MGX 5.50 (# 4801:20 Unique
3.59, 6.06 A)
&rst
ixpk= 4801, nxpk= 20, iat=1744, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2=1769,1770,1771,1773,1774,1775,
&end
#
# 116 ASP HN 118 VAL MGX 4.50 (# 4802:20 Unique
3.49, 6.40 A)
&rst
ixpk= 4802, nxpk= 20, iat=1732, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr2=1769,1770,1771,1773,1774,1775,
&end
#
# 0 AMB 20-2:4803 112 GLY HA- 5.50 (# 4803:20 Single
Ambig)
&rst
ixpk= 4803, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1686,1660,1661,
igr2=1677,1678,
&end
#
# 118 VAL MGY 119 GLY HA- 5.50 (# 4804:20 Unique
3.27, 5.83 A)
&rst
ixpk= 4804, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=1769,1770,1771,1773,1774,1775,
igr2=1781,1782,
&end
#
# 0 AMB 20-2:4805 119 GLY HA- 5.50 (# 4805:20 Single
Ambig)
&rst
ixpk= 4805, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4=
8.57,
igr1= 188, 189, 190, 181, 182,
igr2=1781,1782,
&end
#
# 120 PHE HB- 119 GLY HA+ 5.50 (# 4806:20 Unique
4.34, 5.51 A)
&rst
ixpk= 4806, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1790,1791,
igr2=1781,1782,
&end
#
# 120 PHE HB- 119 GLY HA- 5.50 (# 4807:20 Unique
4.34, 5.51 A)
&rst
ixpk= 4807, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1790,1791,
igr2=1781,1782,
&end
#
# 118 VAL HA 119 GLY HA- 5.50 (# 4808:20 Unique
4.39, 4.46 A)
&rst
ixpk= 4808, nxpk= 20, iat=1765, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1781,1782,
&end
#
# 13 MET HA 119 GLY HA+ 5.50 (# 4809:20 Unique
4.19, 4.71 A)
&rst
ixpk= 4809, nxpk= 20, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1781,1782,
&end
#
# 119 GLY HN 119 GLY HA- 4.50 (# 4810:20 Unique
2.73, 2.82 A)
&rst
ixpk= 4810, nxpk= 20, iat=1779, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1781,1782,
&end
#
# 122 TYR HE 119 GLY HA- 5.50 (# 4811:20 Unique
2.74, 5.02 A)
&rst
ixpk= 4811, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1837,1842,
igr2=1781,1782,
&end
#
# 120 PHE HN 120 PHE HA 4.50 (# 4812:20 Unique
2.83, 2.87 A)
&rst
ixpk= 4812, nxpk= 20, iat=1786,1788, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 88 THR MG2 91 ASN HB- 5.50 (# 4813:20 Unique
2.54, 4.46 A)
&rst
ixpk= 4813, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1287,1288,1289,
igr2=1330,1331,
&end
#
# 121 TYR HA 120 PHE HB+ 5.50 (# 4815:20 Unique
4.53, 5.24 A)
&rst
ixpk= 4815, nxpk= 20, iat=1808, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1790,1791,
&end
#
# 81 ILE HA 95 ASN HB- 5.50 (# 4818:20 Unique
4.75, 5.63 A)
&rst
ixpk= 4818, nxpk= 20, iat=1168, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1394,1395,
&end
#
# 0 AMB 20-2:4819 0 AMB 20-1:4819 5.50 (# 4819:20 Double
Ambig)
&rst
ixpk= 4819, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=1748,1866,1867,
igr2=1831,1832,1831,1832,
&end
#
# 118 VAL HA 122 TYR HB- 5.50 (# 4820:20 Unique
3.91, 4.70 A)
&rst
ixpk= 4820, nxpk= 20, iat=1765, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1831,1832,
&end
#
# 0 AMB 20-2:4821 95 ASN HB- 5.50 (# 4821:20 Single
Ambig)
&rst
ixpk= 4821, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1367,1144,
igr2=1394,1395,
&end
#
# 14 GLY HA- 122 TYR HB- 5.50 (# 4822:20 Unique
2.58, 3.13 A)
&rst
ixpk= 4822, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 196, 197,
igr2=1831,1832,
&end
#
# 122 TYR HE 122 TYR HB- 5.50 (# 4823:20 Unique
4.63, 5.09 A)
&rst
ixpk= 4823, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1837,1842,
igr2=1831,1832,
&end
#
# 122 TYR HE 122 TYR HB+ 5.50 (# 4824:20 Unique
4.63, 5.09 A)
&rst
ixpk= 4824, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1837,1842,
igr2=1831,1832,
&end
#
# 123 PRO HD+ 123 PRO HB+ 4.50 (# 4825:20 Unique
2.94, 3.72 A)
&rst
ixpk= 4825, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1849,1850,
igr2=1855,1856,
&end
#
# 123 PRO HD- 123 PRO HB- 4.50 (# 4826:20 Unique
2.94, 3.72 A)
&rst
ixpk= 4826, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1849,1850,
igr2=1855,1856,
&end
#
# 123 PRO HD+ 123 PRO HG- 2.80 (# 4827:20 Unique
2.30, 2.60 A)
&rst
ixpk= 4827, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1=1849,1850,
igr2=1852,1853,
&end
#
# 122 TYR HA 123 PRO HG- 4.50 (# 4828:20 Unique
4.52, 4.61 A)
&rst
ixpk= 4828, nxpk= 20, iat=1829, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1852,1853,
&end
#
# 122 TYR HA 123 PRO HG+ 4.50 (# 4829:20 Unique
4.52, 4.61 A)
&rst
ixpk= 4829, nxpk= 20, iat=1829, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1852,1853,
&end
#
# 124 MET HN 123 PRO HG+ 5.50 (# 4830:20 Unique
4.49, 5.03 A)
&rst
ixpk= 4830, nxpk= 20, iat=1862, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1852,1853,
&end
#
# 42 ALA HN 0 AMB 20-1:4831 5.50 (# 4831:20 Single
Ambig)
&rst
ixpk= 4831, nxpk= 20, iat= 558, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr2= 572, 573, 572, 573,
&end
#
# 123 PRO HA 123 PRO HD- 5.50 (# 4832:20 Unique
3.65, 3.89 A)
&rst
ixpk= 4832, nxpk= 20, iat=1858, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1849,1850,
&end
#
# 15 ASP HN 124 MET HA 5.50 (# 4833:20 Unique
3.34, 3.73 A)
&rst
ixpk= 4833, nxpk= 20, iat= 201,1864, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 129 LYS HG- 124 MET HB+ 4.50 (# 4834:20 Unique
2.46, 3.79 A)
&rst
ixpk= 4834, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1950,1951,
igr2=1866,1867,
&end
#
# 129 LYS HG+ 124 MET HB- 5.50 (# 4835:20 Unique
2.46, 3.79 A)
&rst
ixpk= 4835, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1950,1951,
igr2=1866,1867,
&end
#
# 0 AMB 20-2:4837 124 MET HG- 4.50 (# 4837:20 Single
Ambig)
&rst
ixpk= 4837, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1=1950,1951,1950,1951,
igr2=1869,1870,
&end
#
# 124 MET ME 124 MET HG+ 3.50 (# 4838:20 Unique
2.57, 3.74 A)
&rst
ixpk= 4838, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1=1873,1874,1875,
igr2=1869,1870,
&end
#
# 124 MET HB+ 124 MET HG+ 3.50 (# 4839:20 Unique
2.45, 2.76 A)
&rst
ixpk= 4839, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1866,1867,
igr2=1869,1870,
&end
#
# 0 AMB 20-2:4840 0 AMB 20-1:4840 5.50 (# 4840:20 Double
Ambig)
&rst
ixpk= 4840, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.76,
r4=11.26,
igr1=1945, 227, 228, 227, 228,1911,1912,
igr2=1869,1870,1869,1870,1869,1870,1869,1870,
&end
#
# 0 AMB 20-2:4841 125 THR HA 4.50 (# 4841:20 Single
Ambig)
&rst
ixpk= 4841, nxpk= 20, iat= -1,1881, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr1=1911,1912,1895,
&end
#
# 127 PRO HD- 125 THR HA 4.50 (# 4842:20 Unique
3.65, 4.50 A)
&rst
ixpk= 4842, nxpk= 20, iat= -1,1881, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1911,1912,
&end
#
# 0 AMB 20-2:4843 125 THR HA 5.50 (# 4843:20 Single
Ambig)
&rst
ixpk= 4843, nxpk= 20, iat= -1,1881, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1736,1737,1900,1901,1900,1901,
&end
#
# 124 MET HG- 125 THR MG2 5.50 (# 4844:20 Unique
4.94, 6.25 A)
&rst
ixpk= 4844, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1869,1870,
igr2=1885,1886,1887,
&end
#
# 70 PRO HG- 125 THR MG2 5.50 (# 4845:20 Unique
4.61, 7.02 A)
&rst
ixpk= 4845, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1003,1004,
igr2=1885,1886,1887,
&end
#
# 70 PRO HB- 127 PRO HB+ 4.50 (# 4846:20 Unique
2.25, 3.90 A)
&rst
ixpk= 4846, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1006,1007,
igr2=1917,1918,
&end
#
# 127 PRO HD+ 127 PRO HB+ 5.50 (# 4847:20 Unique
2.80, 3.68 A)
&rst
ixpk= 4847, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1911,1912,
igr2=1917,1918,
&end
#
# 133 GLU HA 133 GLU HB- 3.50 (# 4848:20 Unique
2.45, 2.77 A)
&rst
ixpk= 4848, nxpk= 20, iat=2005, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=2007,2008,
&end
#
# 0 AMB 20-2:4849 0 AMB 20-1:4849 4.50 (# 4849:20 Double
Ambig)
&rst
ixpk= 4849, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4=
8.14,
igr1=1146,1147, 989, 990, 989, 990,
igr2=1132,1133,1003,1004,
&end
#
# 98 ILE QD1 78 PRO HG+ 4.50 (# 4850:20 Unique
2.24, 4.83 A)
&rst
ixpk= 4850, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1457,1458,1459,
igr2=1132,1133,
&end
#
# 129 LYS HN 127 PRO HD- 5.50 (# 4851:20 Unique
4.58, 5.12 A)
&rst
ixpk= 4851, nxpk= 20, iat=1943, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1911,1912,
&end
#
# 125 THR MG2 127 PRO HD+ 5.50 (# 4852:20 Unique
2.70, 5.04 A)
&rst
ixpk= 4852, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1885,1886,1887,
igr2=1911,1912,
&end
#
# 93 PRO HB+ 93 PRO HD- 4.50 (# 4853:20 Unique
2.75, 3.66 A)
&rst
ixpk= 4853, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1364,1365,
igr2=1358,1359,
&end
#
# 125 THR MG2 127 PRO HD- 5.50 (# 4854:20 Unique
2.70, 5.04 A)
&rst
ixpk= 4854, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1885,1886,1887,
igr2=1911,1912,
&end
#
# 122 TYR HD 123 PRO HD+ 5.50 (# 4856:20 Unique
2.46, 4.77 A)
&rst
ixpk= 4856, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1835,1844,
igr2=1849,1850,
&end
#
# 113 ILE QG2 128 ILE HG1- 5.50 (# 4857:20 Unique
2.37, 3.91 A)
&rst
ixpk= 4857, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1688,1689,1690,
igr2=1934,1935,
&end
#
# 113 ILE QG2 128 ILE HG1+ 5.50 (# 4858:20 Unique
2.37, 3.91 A)
&rst
ixpk= 4858, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1688,1689,1690,
igr2=1934,1935,
&end
#
# 128 ILE HB 128 ILE HG1+ 5.50 (# 4859:20 Unique
2.43, 2.77 A)
&rst
ixpk= 4859, nxpk= 20, iat=1928, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1934,1935,
&end
#
# 116 ASP HN 128 ILE HG1- 5.50 (# 4860:20 Unique
3.14, 4.17 A)
&rst
ixpk= 4860, nxpk= 20, iat=1732, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1934,1935,
&end
#
# 0 AMB 20-2:4861 128 ILE QD1 5.50 (# 4861:20 Single
Ambig)
&rst
ixpk= 4861, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4=
8.43,
igr1=1744,1713,1714,
igr2=1937,1938,1939,
&end
#
# 127 PRO HB+ 128 ILE QD1 4.50 (# 4862:20 Unique
2.27, 4.23 A)
&rst
ixpk= 4862, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1917,1918,
igr2=1937,1938,1939,
&end
#
# 15 ASP HA 128 ILE QG2 3.50 (# 4864:20 Unique
2.29, 3.74 A)
&rst
ixpk= 4864, nxpk= 20, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr2=1930,1931,1932,
&end
#
# 129 LYS HN 128 ILE QG2 4.50 (# 4865:20 Unique
3.50, 4.36 A)
&rst
ixpk= 4865, nxpk= 20, iat=1943, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr2=1930,1931,1932,
&end
#
# 129 LYS HB+ 129 LYS HA 3.50 (# 4866:20 Unique
2.44, 2.82 A)
&rst
ixpk= 4866, nxpk= 20, iat= -1,1945, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1947,1948,
&end
#
# 129 LYS HD- 129 LYS HA 4.50 (# 4867:20 Unique
4.32, 4.63 A)
&rst
ixpk= 4867, nxpk= 20, iat= -1,1945, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1953,1954,
&end
#
# 126 GLN HA 129 LYS HB- 4.50 (# 4868:20 Unique
2.20, 3.20 A)
&rst
ixpk= 4868, nxpk= 20, iat=1895, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1947,1948,
&end
#
# 103 GLU HN 102 LYS HB+ 4.50 (# 4869:20 Unique
2.20, 3.58 A)
&rst
ixpk= 4869, nxpk= 20, iat=1533, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1515,1516,
&end
#
# 0 AMB 20-2:4870 129 LYS HD- 5.50 (# 4870:20 Single
Ambig)
&rst
ixpk= 4870, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=1900,1901,1900,1901,
igr2=1953,1954,
&end
#
# 21 LEU MDX 129 LYS HD- 5.50 (# 4871:20 Unique
4.62, 6.21 A)
&rst
ixpk= 4871, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 272, 273, 274, 276, 277, 278,
igr2=1953,1954,
&end
#
# 124 MET ME 129 LYS HE+ 4.50 (# 4873:20 Unique
5.19, 6.36 A)
&rst
ixpk= 4873, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=1873,1874,1875,
igr2=1956,1957,
&end
#
# 129 LYS HB- 129 LYS HE- 3.50 (# 4874:20 Unique
2.29, 3.84 A)
&rst
ixpk= 4874, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1947,1948,
igr2=1956,1957,
&end
#
# 0 AMB 20-2:4875 0 AMB 20-1:4875 5.50 (# 4875:20 Double
Ambig)
&rst
ixpk= 4875, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=1943,2003,
igr2=1956,1957,1956,1957,
&end
#
# 129 LYS HN 129 LYS HE- 5.50 (# 4876:20 Unique
5.41, 5.72 A)
&rst
ixpk= 4876, nxpk= 20, iat=1943, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1956,1957,
&end
#
# 0 AMB 20-2:4877 130 ASP HA 5.50 (# 4877:20 Single
Ambig)
&rst
ixpk= 4877, nxpk= 20, iat= -1,1967, r1= 1.30, r2= 1.80, r3= 7.19, r4=
7.69,
igr1=1981,1982,1983,1953,1954,
&end
#
# 132 VAL MGY 130 ASP HA 5.50 (# 4878:20 Unique
6.55, 7.44 A)
&rst
ixpk= 4878, nxpk= 20, iat= -1,1967, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1993,1994,1995,1997,1998,1999,
&end
#
# 128 ILE QD1 0 AMB 20-1:4880 5.50 (# 4880:20 Single
Ambig)
&rst
ixpk= 4880, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=1937,1938,1939,
igr2=1969,1970,1969,1970,
&end
#
# 134 THR MG2 0 AMB 20-1:4881 5.50 (# 4881:20 Single
Ambig)
&rst
ixpk= 4881, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=2024,2025,2026,
igr2=1969,1970,1969,1970,
&end
#
# 130 ASP HA 0 AMB 20-1:4882 3.50 (# 4882:20 Single
Ambig)
&rst
ixpk= 4882, nxpk= 20, iat=1967, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr2=1969,1970,1969,1970,
&end
#
# 128 ILE HN 0 AMB 20-1:4883 5.50 (# 4883:20 Single
Ambig)
&rst
ixpk= 4883, nxpk= 20, iat=1924, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr2=1969,1970,1969,1970,
&end
#
# 0 AMB 20-2:4884 131 ALA HA 5.50 (# 4884:20 Single
Ambig)
&rst
ixpk= 4884, nxpk= 20, iat= -1,1979, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2007,2008,2036,1928,
&end
#
# 73 ILE HG1+ 131 ALA HA 5.50 (# 4885:20 Unique
2.98, 3.67 A)
&rst
ixpk= 4885, nxpk= 20, iat= -1,1979, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1045,1046,
&end
#
# 0 AMB 20-2:4886 131 ALA HA 5.50 (# 4886:20 Single
Ambig)
&rst
ixpk= 4886, nxpk= 20, iat= -1,1979, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1969,1970,1969,1970,
&end
#
# 0 AMB 20-2:4887 131 ALA HA 4.50 (# 4887:20 Single
Ambig)
&rst
ixpk= 4887, nxpk= 20, iat= -1,1979, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=2024,2025,2026,1039,
&end
#
# 134 THR HA 131 ALA HA 5.50 (# 4889:20 Unique
5.01, 5.13 A)
&rst
ixpk= 4889, nxpk= 20, iat=2020,1979, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 20-2:4890 131 ALA MB 4.50 (# 4890:20 Single
Ambig)
&rst
ixpk= 4890, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4=
7.78,
igr1=1928,2036,2007,2008,1914,1915,
igr2=1981,1982,1983,
&end
#
# 134 THR MG2 0 AMB 20-1:4891 3.50 (# 4891:20 Single
Ambig)
&rst
ixpk= 4891, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1=2024,2025,2026,
igr2=2090,2091,2090,2091,
&end
#
# 132 VAL MGX 132 VAL HB 2.80 (# 4892:20 Unique
2.36, 2.68 A)
&rst
ixpk= 4892, nxpk= 20, iat= -1,1991, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1=1993,1994,1995,1997,1998,1999,
&end
#
# 139 LEU MDX 0 AMB 20-1:4893 5.50 (# 4893:20 Single
Ambig)
&rst
ixpk= 4893, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4=
9.84,
igr1=2119,2120,2121,2123,2124,2125,
igr2=2090,2091,2090,2091,
&end
#
# 0 AMB 20-2:4895 151 LEU MDX 4.50 (# 4895:20 Single
Ambig)
&rst
ixpk= 4895, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1= 944,1099,
igr2=2281,2282,2283,2285,2286,2287,
&end
#
# 0 AMB 20-2:4897 151 LEU MDY 5.50 (# 4897:20 Single
Ambig)
&rst
ixpk= 4897, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 944,1099,
igr2=2281,2282,2283,2285,2286,2287,
&end
#
# 74 ARG HD- 149 ALA HA 5.50 (# 4898:20 Unique
4.75, 4.98 A)
&rst
ixpk= 4898, nxpk= 20, iat= -1,2247, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1064,1065,
&end
#
# 66 MET HN 151 LEU MDY 5.50 (# 4899:20 Unique
5.52, 6.56 A)
&rst
ixpk= 4899, nxpk= 20, iat= 942, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2=2281,2282,2283,2285,2286,2287,
&end
#
# 124 MET HG+ 132 VAL MGY 5.50 (# 4900:20 Unique
5.08, 7.07 A)
&rst
ixpk= 4900, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=1869,1870,
igr2=1993,1994,1995,1997,1998,1999,
&end
#
# 18 ALA HN 132 VAL MGY 5.50 (# 4901:20 Unique
4.79, 6.22 A)
&rst
ixpk= 4901, nxpk= 20, iat= 232, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2=1993,1994,1995,1997,1998,1999,
&end
#
# 0 AMB 20-2:4902 132 VAL MGY 5.50 (# 4902:20 Single
Ambig)
&rst
ixpk= 4902, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=2032, 311,
igr2=1993,1994,1995,1997,1998,1999,
&end
#
# 136 TYR HN 132 VAL MGY 5.50 (# 4903:20 Unique
4.11, 5.85 A)
&rst
ixpk= 4903, nxpk= 20, iat=2048, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2=1993,1994,1995,1997,1998,1999,
&end
#
# 19 GLY HN 132 VAL MGY 5.50 (# 4904:20 Unique
5.00, 5.96 A)
&rst
ixpk= 4904, nxpk= 20, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2=1993,1994,1995,1997,1998,1999,
&end
#
# 136 TYR HB- 0 AMB 20-1:4905 4.50 (# 4905:20 Single
Ambig)
&rst
ixpk= 4905, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4=
8.14,
igr1=2052,2053,
igr2=2038,2039,2040,2042,2043,2044,1993,1994,1995,1997,
1998,1999,
&end
#
# 0 AMB 20-2:4906 133 GLU HA 4.50 (# 4906:20 Single
Ambig)
&rst
ixpk= 4906, nxpk= 20, iat= -1,2005, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=2018,2069,2081,2082,
&end
#
# 102 LYS HG- 99 ASP HA 4.50 (# 4907:20 Unique
2.35, 3.81 A)
&rst
ixpk= 4907, nxpk= 20, iat= -1,1465, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1518,1519,
&end
#
# 0 AMB 20-2:4908 133 GLU HB- 3.50 (# 4908:20 Single
Ambig)
&rst
ixpk= 4908, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1= 339, 340, 339, 340,2010,2011,
igr2=2007,2008,
&end
#
# 0 AMB 20-2:4909 0 AMB 20-1:4909 5.50 (# 4909:20 Double
Ambig)
&rst
ixpk= 4909, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99,
r4=10.49,
igr1=1969,1970,1969,1970,1956,1957,
igr2=2007,2008,2007,2008,2007,2008,
&end
#
# 0 AMB 20-2:4910 0 AMB 20-1:4910 5.50 (# 4910:20 Double
Ambig)
&rst
ixpk= 4910, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.77,
r4=12.27,
igr1=1969,1970,1969,1970,2076,2077,1969,1970,1956,1957,
1869,1870,
igr2=2007,2008,1914,1915,1914,1915,1914,1915,
&end
#
# 129 LYS HA 133 GLU HB+ 5.50 (# 4911:20 Unique
4.69, 5.15 A)
&rst
ixpk= 4911, nxpk= 20, iat=1945, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2007,2008,
&end
#
# 127 PRO HD+ 127 PRO HG+ 3.50 (# 4912:20 Unique
2.30, 2.59 A)
&rst
ixpk= 4912, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1911,1912,
igr2=1914,1915,
&end
#
# 0 AMB 20-2:4913 0 AMB 20-1:4913 4.50 (# 4913:20 Double
Ambig)
&rst
ixpk= 4913, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1=2018,2081,2082,
igr2=2007,2008,2007,2008,
&end
#
# 137 GLN HE2+ 133 GLU HG- 5.50 (# 4914:20 Unique
2.38, 3.49 A)
&rst
ixpk= 4914, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2081,2082,
igr2=2010,2011,
&end
#
# 150 GLN HE2+ 150 GLN HG+ 4.50 (# 4915:20 Unique
2.29, 3.40 A)
&rst
ixpk= 4915, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=2267,2268,
igr2=2262,2263,
&end
#
# 137 GLN HE2+ 133 GLU HG+ 5.50 (# 4916:20 Unique
2.38, 3.49 A)
&rst
ixpk= 4916, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2081,2082,
igr2=2010,2011,
&end
#
# 133 GLU HA 133 GLU HG- 5.50 (# 4917:20 Unique
2.23, 2.96 A)
&rst
ixpk= 4917, nxpk= 20, iat=2005, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2010,2011,
&end
#
# 130 ASP HA 133 GLU HG+ 5.50 (# 4918:20 Unique
3.55, 4.72 A)
&rst
ixpk= 4918, nxpk= 20, iat=1967, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2010,2011,
&end
#
# 0 AMB 20-2:4919 134 THR HA 5.50 (# 4919:20 Single
Ambig)
&rst
ixpk= 4919, nxpk= 20, iat= -1,2020, r1= 1.30, r2= 1.80, r3= 7.93, r4=
8.43,
igr1=2038,2039,2040,2042,2043,2044,1048,1049,1050,
&end
#
# 0 AMB 20-2:4920 134 THR HA 5.50 (# 4920:20 Single
Ambig)
&rst
ixpk= 4920, nxpk= 20, iat= -1,2020, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=2005,1979,
&end
#
# 138 ARG HE 134 THR MG2 5.50 (# 4921:20 Unique
2.65, 4.59 A)
&rst
ixpk= 4921, nxpk= 20, iat=2099, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=2024,2025,2026,
&end
#
# 148 PHE HD 134 THR MG2 5.50 (# 4922:20 Unique
4.87, 6.46 A)
&rst
ixpk= 4922, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=2233,2241,
igr2=2024,2025,2026,
&end
#
# 138 ARG HN 134 THR MG2 5.50 (# 4923:20 Unique
4.96, 6.05 A)
&rst
ixpk= 4923, nxpk= 20, iat=2086, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=2024,2025,2026,
&end
#
# 136 TYR HN 134 THR MG2 5.50 (# 4924:20 Unique
5.40, 6.23 A)
&rst
ixpk= 4924, nxpk= 20, iat=2048, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=2024,2025,2026,
&end
#
# 73 ILE QG2 134 THR MG2 5.50 (# 4925:20 Unique
3.18, 6.01 A)
&rst
ixpk= 4925, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4=
8.43,
igr1=1041,1042,1043,
igr2=2024,2025,2026,
&end
#
# 111 LEU MDX 134 THR MG2 5.50 (# 4926:20 Unique
5.32, 7.83 A)
&rst
ixpk= 4926, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4=
9.40,
igr1=1665,1666,1667,1669,1670,1671,
igr2=2024,2025,2026,
&end
#
# 133 GLU HG- 134 THR MG2 5.50 (# 4927:20 Unique
6.39, 7.61 A)
&rst
ixpk= 4927, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=2010,2011,
igr2=2024,2025,2026,
&end
#
# 0 AMB 20-2:4928 134 THR MG2 5.50 (# 4928:20 Single
Ambig)
&rst
ixpk= 4928, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=2076,2077,1969,1970,
igr2=2024,2025,2026,
&end
#
# 138 ARG HD+ 134 THR MG2 5.50 (# 4929:20 Unique
4.81, 6.55 A)
&rst
ixpk= 4929, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=2096,2097,
igr2=2024,2025,2026,
&end
#
# 135 VAL MGX 135 VAL HA 2.80 (# 4932:20 Unique
2.49, 3.31 A)
&rst
ixpk= 4932, nxpk= 20, iat= -1,2034, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1=2038,2039,2040,2042,2043,2044,
&end
#
# 5 LEU HN 53 LEU MDY 5.50 (# 4936:20 Unique
5.01, 7.55 A)
&rst
ixpk= 4936, nxpk= 20, iat= 63, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 735, 736, 737, 739, 740, 741,
&end
#
# 22 LEU HA 135 VAL MGY 5.50 (# 4938:20 Unique
4.89, 7.46 A)
&rst
ixpk= 4938, nxpk= 20, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2=2038,2039,2040,2042,2043,2044,
&end
#
# 148 PHE HB+ 135 VAL MGY 5.50 (# 4939:20 Unique
5.47, 7.58 A)
&rst
ixpk= 4939, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=2229,2230,
igr2=2038,2039,2040,2042,2043,2044,
&end
#
# 148 PHE HB- 135 VAL MGY 5.50 (# 4940:20 Unique
5.47, 7.58 A)
&rst
ixpk= 4940, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=2229,2230,
igr2=2038,2039,2040,2042,2043,2044,
&end
#
# 22 LEU HB+ 135 VAL MGY 5.50 (# 4942:20 Unique
2.78, 5.65 A)
&rst
ixpk= 4942, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 286, 287,
igr2=2038,2039,2040,2042,2043,2044,
&end
#
# 52 GLU HG+ 53 LEU MDY 4.50 (# 4943:20 Unique
4.11, 7.53 A)
&rst
ixpk= 4943, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1= 718, 719,
igr2= 735, 736, 737, 739, 740, 741,
&end
#
# 0 AMB 20-2:4945 136 TYR HA 5.50 (# 4945:20 Single
Ambig)
&rst
ixpk= 4945, nxpk= 20, iat= -1,2050, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 416, 417, 339, 340,
&end
#
# 0 AMB 20-2:4947 136 TYR HB- 5.50 (# 4947:20 Single
Ambig)
&rst
ixpk= 4947, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 284,2071,
igr2=2052,2053,
&end
#
# 134 THR MG2 137 GLN HB+ 5.50 (# 4949:20 Unique
4.35, 7.46 A)
&rst
ixpk= 4949, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=2024,2025,2026,
igr2=2073,2074,
&end
#
# 0 AMB 20-2:4951 0 AMB 20-1:4951 5.50 (# 4951:20 Double
Ambig)
&rst
ixpk= 4951, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=2005,1979,
igr2=2076,2077,2076,2077,
&end
#
# 76 ILE QD1 66 MET HA 5.50 (# 4953:20 Unique
5.64, 6.68 A)
&rst
ixpk= 4953, nxpk= 20, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1110,1111,1112,
&end
#
# 117 ILE QD1 124 MET HA 5.50 (# 4954:20 Unique
2.40, 4.86 A)
&rst
ixpk= 4954, nxpk= 20, iat= -1,1864, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=1757,1758,1759,
&end
#
# 135 VAL HA 138 ARG HA 5.50 (# 4956:20 Unique
5.06, 5.27 A)
&rst
ixpk= 4956, nxpk= 20, iat=2034,2088, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 135 VAL HA 138 ARG HG- 5.50 (# 4958:20 Unique
3.89, 4.86 A)
&rst
ixpk= 4958, nxpk= 20, iat=2034, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2093,2094,
&end
#
# 135 VAL HA 138 ARG HG+ 5.50 (# 4959:20 Unique
3.89, 4.86 A)
&rst
ixpk= 4959, nxpk= 20, iat=2034, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2093,2094,
&end
#
# 52 GLU HN 0 AMB 20-1:4960 5.50 (# 4960:20 Single
Ambig)
&rst
ixpk= 4960, nxpk= 20, iat= 711, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr2= 752, 753, 752, 753,
&end
#
# 0 AMB 20-2:4961 139 LEU HA 5.50 (# 4961:20 Single
Ambig)
&rst
ixpk= 4961, nxpk= 20, iat= -1,2112, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 459,2159,
&end
#
# 142 TRP HN 139 LEU HA 5.50 (# 4962:20 Unique
2.76, 3.23 A)
&rst
ixpk= 4962, nxpk= 20, iat=2151,2112, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 138 ARG HN 139 LEU HA 5.50 (# 4963:20 Unique
4.93, 5.12 A)
&rst
ixpk= 4963, nxpk= 20, iat=2086,2112, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 100 GLN HG- 99 ASP HA 5.50 (# 4964:20 Unique
4.96, 6.19 A)
&rst
ixpk= 4964, nxpk= 20, iat= -1,1465, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1482,1483,
&end
#
# 0 AMB 20-2:4965 139 LEU HB- 4.50 (# 4965:20 Single
Ambig)
&rst
ixpk= 4965, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1= 407, 408, 413, 414,
igr2=2114,2115,
&end
#
# 0 AMB 20-2:4966 0 AMB 20-1:4966 4.50 (# 4966:20 Double
Ambig)
&rst
ixpk= 4966, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1=2117, 586, 587,
igr2=2114,2115,1429,1430,
&end
#
# 31 LYS HB+ 139 LEU HG 5.50 (# 4969:20 Unique
2.27, 3.50 A)
&rst
ixpk= 4969, nxpk= 20, iat= -1,2117, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 407, 408,
&end
#
# 31 LYS HB- 139 LEU HG 5.50 (# 4970:20 Unique
2.27, 3.50 A)
&rst
ixpk= 4970, nxpk= 20, iat= -1,2117, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 407, 408,
&end
#
# 31 LYS HB+ 139 LEU MDX 4.50 (# 4972:20 Unique
2.57, 5.20 A)
&rst
ixpk= 4972, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1= 407, 408,
igr2=2119,2120,2121,2123,2124,2125,
&end
#
# 34 TRP HB- 139 LEU MDY 5.50 (# 4974:20 Unique
2.17, 5.23 A)
&rst
ixpk= 4974, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 450, 451,
igr2=2119,2120,2121,2123,2124,2125,
&end
#
# 34 TRP HB+ 139 LEU MDY 5.50 (# 4975:20 Unique
2.17, 5.23 A)
&rst
ixpk= 4975, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 450, 451,
igr2=2119,2120,2121,2123,2124,2125,
&end
#
# 142 TRP HB- 139 LEU MDY 5.50 (# 4976:20 Unique
3.06, 5.40 A)
&rst
ixpk= 4976, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=2155,2156,
igr2=2119,2120,2121,2123,2124,2125,
&end
#
# 135 VAL HA 139 LEU MDY 5.50 (# 4977:20 Unique
4.11, 6.22 A)
&rst
ixpk= 4977, nxpk= 20, iat=2034, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2=2119,2120,2121,2123,2124,2125,
&end
#
# 138 ARG HN 139 LEU MDY 5.50 (# 4979:20 Unique
3.41, 5.84 A)
&rst
ixpk= 4979, nxpk= 20, iat=2086, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2=2119,2120,2121,2123,2124,2125,
&end
#
# 0 AMB 20-2:4980 139 LEU MDY 5.50 (# 4980:20 Single
Ambig)
&rst
ixpk= 4980, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70,
r4=10.20,
igr1=2093,2094, 413, 414, 882,
igr2=2119,2120,2121,2123,2124,2125,
&end
#
# 94 LEU HB+ 94 LEU HA 3.50 (# 4981:20 Unique
2.53, 2.85 A)
&rst
ixpk= 4981, nxpk= 20, iat= -1,1373, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1375,1376,
&end
#
# 32 GLY HN 140 GLU HB+ 5.50 (# 4982:20 Unique
1.76, 3.11 A)
&rst
ixpk= 4982, nxpk= 20, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2133,2134,
&end
#
# 140 GLU HB+ 141 GLY HA+ 5.50 (# 4983:20 Unique
4.24, 5.52 A)
&rst
ixpk= 4983, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2133,2134,
igr2=2146,2147,
&end
#
# 140 GLU HB+ 141 GLY HA- 5.50 (# 4984:20 Unique
4.24, 5.52 A)
&rst
ixpk= 4984, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2133,2134,
igr2=2146,2147,
&end
#
# 0 AMB 20-2:4985 141 GLY HA- 5.50 (# 4985:20 Single
Ambig)
&rst
ixpk= 4985, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=2182,2183,2136,2137,
igr2=2146,2147,
&end
#
# 0 AMB 20-2:4986 0 AMB 20-1:4986 5.50 (# 4986:20 Double
Ambig)
&rst
ixpk= 4986, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4=
9.23,
igr1=2182,2183,2136,2137,
igr2=2146,2147,2146,2147,
&end
#
# 139 LEU MDY 142 TRP HB+ 5.50 (# 4987:20 Unique
3.06, 5.40 A)
&rst
ixpk= 4987, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=2119,2120,2121,2123,2124,2125,
igr2=2155,2156,
&end
#
# 143 GLU HA 142 TRP HB- 5.50 (# 4989:20 Unique
4.90, 5.41 A)
&rst
ixpk= 4989, nxpk= 20, iat=2177, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2155,2156,
&end
#
# 34 TRP HH2 142 TRP HB- 5.50 (# 4990:20 Unique
4.37, 7.00 A)
&rst
ixpk= 4990, nxpk= 20, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2155,2156,
&end
#
# 144 GLY HN 143 GLU HG- 5.50 (# 4991:20 Unique
2.79, 4.64 A)
&rst
ixpk= 4991, nxpk= 20, iat=2190, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2182,2183,
&end
#
# 145 ASN HB+ 144 GLY HA+ 5.50 (# 4992:20 Unique
3.89, 5.50 A)
&rst
ixpk= 4992, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2201,2202,
igr2=2192,2193,
&end
#
# 145 ASN HB- 144 GLY HA+ 5.50 (# 4993:20 Unique
3.89, 5.50 A)
&rst
ixpk= 4993, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2201,2202,
igr2=2192,2193,
&end
#
# 0 AMB 20-2:4994 0 AMB 20-1:4994 5.50 (# 4994:20 Double
Ambig)
&rst
ixpk= 4994, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4=
9.23,
igr1=1593,1594,2182,2183,
igr2=2192,2193,2192,2193,
&end
#
# 142 TRP HD1 146 GLY HA- 5.50 (# 4995:20 Unique
2.08, 3.62 A)
&rst
ixpk= 4995, nxpk= 20, iat=2159, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2213,2214,
&end
#
# 142 TRP HD1 146 GLY HA+ 5.50 (# 4996:20 Unique
2.08, 3.62 A)
&rst
ixpk= 4996, nxpk= 20, iat=2159, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2213,2214,
&end
#
# 145 ASN HB- 146 GLY HA+ 5.50 (# 4999:20 Unique
4.86, 5.38 A)
&rst
ixpk= 4999, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2201,2202,
igr2=2213,2214,
&end
#
# 138 ARG HG- 146 GLY HA+ 5.50 (# 5001:20 Unique
2.27, 3.64 A)
&rst
ixpk= 5001, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2093,2094,
igr2=2213,2214,
&end
#
# 138 ARG HG- 146 GLY HA- 5.50 (# 5002:20 Unique
2.27, 3.64 A)
&rst
ixpk= 5002, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2093,2094,
igr2=2213,2214,
&end
#
# 148 PHE HD 147 GLY HA- 5.50 (# 5004:20 Unique
5.10, 6.23 A)
&rst
ixpk= 5004, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2233,2241,
igr2=2220,2221,
&end
#
# 0 AMB 20-2:5005 0 AMB 20-1:5005 5.50 (# 5005:20 Double
Ambig)
&rst
ixpk= 5005, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4=
9.40,
igr1=1757,1758,1759,1665,1666,1667,1669,1670,1671,
igr2= 203,2227,
&end
#
# 75 ILE HG1+ 148 PHE HB- 3.50 (# 5006:20 Unique
2.45, 3.22 A)
&rst
ixpk= 5006, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1088,1089,
igr2=2229,2230,
&end
#
# 0 AMB 20-2:5007 0 AMB 20-1:5007 5.50 (# 5007:20 Double
Ambig)
&rst
ixpk= 5007, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99,
r4=10.49,
igr1=1058,1059,1214,1215, 946, 947,
igr2=2229,2230, 934, 935, 934, 935,
&end
#
# 74 ARG HA 148 PHE HB+ 5.50 (# 5008:20 Unique
3.13, 4.20 A)
&rst
ixpk= 5008, nxpk= 20, iat=1056, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2229,2230,
&end
#
# 74 ARG HA 148 PHE HB- 5.50 (# 5009:20 Unique
3.13, 4.20 A)
&rst
ixpk= 5009, nxpk= 20, iat=1056, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2229,2230,
&end
#
# 75 ILE HA 148 PHE HB- 5.50 (# 5010:20 Unique
4.64, 4.88 A)
&rst
ixpk= 5010, nxpk= 20, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2229,2230,
&end
#
# 75 ILE HB 149 ALA HA 5.50 (# 5012:20 Unique
4.60, 4.67 A)
&rst
ixpk= 5012, nxpk= 20, iat=1082,2247, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 20-2:5013 151 LEU MDX 5.50 (# 5013:20 Single
Ambig)
&rst
ixpk= 5013, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4=
9.84,
igr1= 949, 950,1217,1218,
igr2=2281,2282,2283,2285,2286,2287,
&end
#
# 75 ILE HN 149 ALA MB 5.50 (# 5014:20 Unique
4.61, 5.29 A)
&rst
ixpk= 5014, nxpk= 20, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=2249,2250,2251,
&end
#
# 0 AMB 20-2:5017 0 AMB 20-1:5017 4.50 (# 5017:20 Double
Ambig)
&rst
ixpk= 5017, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1=1116,1097,
igr2=2262,2263,2262,2263,
&end
#
# 74 ARG HD- 151 LEU HA 5.50 (# 5018:20 Unique
2.27, 3.89 A)
&rst
ixpk= 5018, nxpk= 20, iat= -1,2274, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1064,1065,
&end
#
# 74 ARG HA 151 LEU HA 5.50 (# 5019:20 Unique
5.00, 5.39 A)
&rst
ixpk= 5019, nxpk= 20, iat=1056,2274, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 75 ILE HN 151 LEU HA 5.50 (# 5020:20 Unique
5.16, 5.33 A)
&rst
ixpk= 5020, nxpk= 20, iat=1078,2274, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 152 ALA HN 151 LEU HB- 5.50 (# 5021:20 Unique
3.79, 4.12 A)
&rst
ixpk= 5021, nxpk= 20, iat=2291, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2276,2277,
&end
#
# 75 ILE HN 151 LEU HB- 5.50 (# 5022:20 Unique
4.40, 4.84 A)
&rst
ixpk= 5022, nxpk= 20, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2276,2277,
&end
#
# 75 ILE HN 151 LEU HB+ 5.50 (# 5023:20 Unique
4.40, 4.84 A)
&rst
ixpk= 5023, nxpk= 20, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2276,2277,
&end
#
# 0 AMB 20-2:5024 151 LEU HB- 5.50 (# 5024:20 Single
Ambig)
&rst
ixpk= 5024, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2257,1080,
igr2=2276,2277,
&end
#
# 151 LEU HA 151 LEU HB- 4.50 (# 5025:20 Unique
2.47, 2.77 A)
&rst
ixpk= 5025, nxpk= 20, iat=2274, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=2276,2277,
&end
#
# 76 ILE HA 151 LEU HB- 5.50 (# 5026:20 Unique
2.96, 3.66 A)
&rst
ixpk= 5026, nxpk= 20, iat=1099, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=2276,2277,
&end
#
# 150 GLN HG+ 151 LEU HB+ 5.50 (# 5027:20 Unique
4.90, 6.15 A)
&rst
ixpk= 5027, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2262,2263,
igr2=2276,2277,
&end
#
# 74 ARG HD+ 151 LEU HB+ 5.50 (# 5028:20 Unique
3.55, 5.09 A)
&rst
ixpk= 5028, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1064,1065,
igr2=2276,2277,
&end
#
# 0 AMB 20-2:5029 151 LEU HB- 5.50 (# 5029:20 Single
Ambig)
&rst
ixpk= 5029, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1=1217,1218,2262,2263,
igr2=2276,2277,
&end
#
# 74 ARG HB- 151 LEU HB+ 4.50 (# 5030:20 Unique
2.10, 3.20 A)
&rst
ixpk= 5030, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1058,1059,
igr2=2276,2277,
&end
#
# 74 ARG HB- 151 LEU HB- 4.50 (# 5031:20 Unique
2.10, 3.20 A)
&rst
ixpk= 5031, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1058,1059,
igr2=2276,2277,
&end
#
# 55 PRO HG- 53 LEU HB+ 5.50 (# 5032:20 Unique
2.26, 3.54 A)
&rst
ixpk= 5032, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 773, 774,
igr2= 730, 731,
&end
#
# 0 AMB 20-2:5033 0 AMB 20-1:5033 4.50 (# 5033:20 Double
Ambig)
&rst
ixpk= 5033, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4=
6.86,
igr1=2272,1054,
igr2=1107,1108,1107,1108,
&end
#
# 151 LEU MDY 152 ALA HA 4.50 (# 5034:20 Unique
2.47, 5.16 A)
&rst
ixpk= 5034, nxpk= 20, iat= -1,2293, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1=2281,2282,2283,2285,2286,2287,
&end
#
# 0 AMB 20-2:5035 152 ALA HA 5.50 (# 5035:20 Single
Ambig)
&rst
ixpk= 5035, nxpk= 20, iat= -1,2293, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr1=2305,2259,2260,
&end
#
# 0 AMB 20-2:5037 152 ALA HA 4.50 (# 5037:20 Single
Ambig)
&rst
ixpk= 5037, nxpk= 20, iat= -1,2293, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=2276,2277,2321,2322,
&end
#
# 151 LEU HA 152 ALA HA 4.50 (# 5038:20 Unique
4.40, 4.44 A)
&rst
ixpk= 5038, nxpk= 20, iat=2274,2293, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 28 ALA HA 28 ALA MB 2.80 (# 5039:20 Unique
2.43, 2.66 A)
&rst
ixpk= 5039, nxpk= 20, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4=
3.86,
igr2= 373, 374, 375,
&end
#
# 154 GLU HA 152 ALA MB 5.50 (# 5040:20 Unique
4.05, 5.46 A)
&rst
ixpk= 5040, nxpk= 20, iat=2319, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=2295,2296,2297,
&end
#
# 74 ARG HE 151 LEU HA 5.50 (# 5042:20 Unique
3.24, 3.95 A)
&rst
ixpk= 5042, nxpk= 20, iat=1067,2274, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 0 AMB 20-2:5043 152 ALA MB 5.50 (# 5043:20 Single
Ambig)
&rst
ixpk= 5043, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1=2262,2263,1217,1218,
igr2=2295,2296,2297,
&end
#
# 80 ASP HB+ 152 ALA MB 5.50 (# 5044:20 Unique
5.37, 7.22 A)
&rst
ixpk= 5044, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1158,1159,
igr2=2295,2296,2297,
&end
#
# 0 AMB 20-2:5045 153 VAL HA 5.50 (# 5045:20 Single
Ambig)
&rst
ixpk= 5045, nxpk= 20, iat= -1,2303, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2339,2340,2339,2340,
&end
#
# 52 GLU HG- 48 VAL MGX 3.50 (# 5047:20 Unique
2.54, 5.27 A)
&rst
ixpk= 5047, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1= 718, 719,
igr2= 648, 649, 650, 652, 653, 654,
&end
#
# 155 GLU HN 155 GLU HA 3.50 (# 5049:20 Unique
2.91, 2.94 A)
&rst
ixpk= 5049, nxpk= 20, iat=2332,2334, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 0 AMB 20-2:5050 0 AMB 20-1:5050 2.80 (# 5050:20 Double
Ambig)
&rst
ixpk= 5050, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4=
5.59,
igr1=2281,2282,2283,2285,2286,2287, 648, 649, 650, 652,
653, 654,
igr2= 949, 950, 646,
&end
#
# 153 VAL HN 0 AMB 20-1:5051 5.50 (# 5051:20 Single
Ambig)
&rst
ixpk= 5051, nxpk= 20, iat=2301, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr2=2324,2325,2324,2325,2339,2340,2339,2340,
&end
#
# 25 LYS HN 24 GLU HG+ 5.50 (# 5052:20 Unique
3.20, 3.81 A)
&rst
ixpk= 5052, nxpk= 20, iat= 326, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 318, 319,
&end
#
# 0 AMB 20-2:5054 72 GLU HA 5.50 (# 5054:20 Single
Ambig)
&rst
ixpk= 5054, nxpk= 20, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1= 989, 990, 989, 990,
&end
#
# 71 GLY HA- 72 GLU HA 5.50 (# 5055:20 Unique
4.62, 4.72 A)
&rst
ixpk= 5055, nxpk= 20, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=1015,1016,
&end
#
# 0 AMB 20-2:5056 0 AMB 20-1:5056 2.80 (# 5056:20 Double
Ambig)
&rst
ixpk= 5056, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4=
4.94,
igr1=2093,2094,2093,2094,
igr2=2090,2091,2090,2091,
&end
#
# 150 GLN HG+ 150 GLN HB+ 2.80 (# 5057:20 Unique
2.23, 2.62 A)
&rst
ixpk= 5057, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4=
4.03,
igr1=2262,2263,
igr2=2259,2260,
&end
#
# 0 AMB 20-2:5059 36 VAL MGX 2.80 (# 5059:20 Single
Ambig)
&rst
ixpk= 5059, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4=
4.74,
igr1= 488, 399,
igr2= 492, 493, 494, 496, 497, 498,
&end
#
# 128 ILE HA 115 PRO HA 5.50 (# 5061:20 Unique
5.31, 5.43 A)
&rst
ixpk= 5061, nxpk= 20, iat=1926,1728, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 15 ASP HB- 115 PRO HA 4.50 (# 5062:20 Unique
2.51, 2.97 A)
&rst
ixpk= 5062, nxpk= 20, iat= -1,1728, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 205, 206,
&end
#
# 0 AMB 20-2:5063 75 ILE HB 5.50 (# 5063:20 Single
Ambig)
&rst
ixpk= 5063, nxpk= 20, iat= -1,1082, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2201,2202,2229,2230,
&end
#
# 75 ILE HG1- 75 ILE HB 4.50 (# 5064:20 Unique
2.28, 2.40 A)
&rst
ixpk= 5064, nxpk= 20, iat= -1,1082, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1=1088,1089,
&end
#
# 72 GLU HN 114 GLN HA 5.50 (# 5066:20 Unique
4.63, 4.74 A)
&rst
ixpk= 5066, nxpk= 20, iat=1020,1703, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 61 VAL HN 61 VAL HB 3.50 (# 5067:20 Unique
2.81, 2.86 A)
&rst
ixpk= 5067, nxpk= 20, iat= 878, 882, r1= 1.30, r2= 1.80, r3= 3.50, r4=
4.00, &end
#
# 8 VAL HN 61 VAL HB 5.50 (# 5068:20 Unique
3.64, 3.79 A)
&rst
ixpk= 5068, nxpk= 20, iat= 112, 882, r1= 1.30, r2= 1.80, r3= 5.50, r4=
6.00, &end
#
# 76 ILE HN 109 ILE QG2 5.50 (# 5069:20 Unique
3.75, 4.60 A)
&rst
ixpk= 5069, nxpk= 20, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=1623,1624,1625,
&end
#
# 150 GLN HG+ 109 ILE QG2 5.50 (# 5070:20 Unique
5.54, 6.93 A)
&rst
ixpk= 5070, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=2262,2263,
igr2=1623,1624,1625,
&end
#
# 8 VAL HA 19 GLY HA+ 5.50 (# 5071:20 Unique
3.87, 4.94 A)
&rst
ixpk= 5071, nxpk= 20, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 244, 245,
&end
#
# 107 GLU HG+ 107 GLU HA 3.50 (# 5072:20 Unique
2.31, 3.19 A)
&rst
ixpk= 5072, nxpk= 20, iat= -1,1588, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1593,1594,
&end
#
# 116 ASP HB+ 70 PRO HB- 5.50 (# 5073:20 Unique
2.11, 3.34 A)
&rst
ixpk= 5073, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1736,1737,
igr2=1006,1007,
&end
#
# 99 ASP HN 98 ILE QD1 5.50 (# 5074:20 Unique
4.90, 5.81 A)
&rst
ixpk= 5074, nxpk= 20, iat=1463, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2=1457,1458,1459,
&end
#
# 105 ILE HB 105 ILE HA 4.50 (# 5075:20 Unique
3.03, 3.04 A)
&rst
ixpk= 5075, nxpk= 20, iat=1564,1562, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 86 MET HN 86 MET HB- 4.50 (# 5077:20 Unique
2.35, 3.33 A)
&rst
ixpk= 5077, nxpk= 20, iat=1247, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr2=1251,1252,
&end
#
# 86 MET HA 86 MET HB- 3.50 (# 5078:20 Unique
2.26, 2.41 A)
&rst
ixpk= 5078, nxpk= 20, iat=1249, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr2=1251,1252,
&end
#
# 50 ILE HA 4 VAL MGX 5.50 (# 5079:20 Unique
2.94, 4.60 A)
&rst
ixpk= 5079, nxpk= 20, iat= 670, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 53, 54, 55, 57, 58, 59,
&end
#
# 59 LEU MDX 109 ILE HB 5.50 (# 5080:20 Unique
2.22, 4.38 A)
&rst
ixpk= 5080, nxpk= 20, iat= -1,1621, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 849, 850, 851, 853, 854, 855,
&end
#
# 0 AMB 20-2:5081 109 ILE HB 4.50 (# 5081:20 Single
Ambig)
&rst
ixpk= 5081, nxpk= 20, iat= -1,1621, r1= 1.30, r2= 1.80, r3= 7.28, r4=
7.78,
igr1=1607,1608,1609,1611,1612,1613,1607,1608,1609,1611,
1612,1613, 830, 831, 832, 834, 835, 836,
&end
#
# 0 AMB 20-2:5082 0 AMB 20-1:5082 3.50 (# 5082:20 Double
Ambig)
&rst
ixpk= 5082, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1=1593,1594, 586, 587,
igr2=1627,1628,1432,
&end
#
# 78 PRO HD- 109 ILE QG2 5.50 (# 5083:20 Unique
5.17, 7.27 A)
&rst
ixpk= 5083, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1129,1130,
igr2=1623,1624,1625,
&end
#
# 97 LEU MDX 97 LEU HA 3.50 (# 5084:20 Unique
2.62, 4.26 A)
&rst
ixpk= 5084, nxpk= 20, iat= -1,1427, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1=1434,1435,1436,1438,1439,1440,
&end
#
# 137 GLN HG- 137 GLN HA 3.50 (# 5085:20 Unique
3.07, 3.78 A)
&rst
ixpk= 5085, nxpk= 20, iat= -1,2071, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=2076,2077,
&end
#
# 129 LYS HB- 129 LYS HD- 3.50 (# 5086:20 Unique
2.27, 2.91 A)
&rst
ixpk= 5086, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4=
4.91,
igr1=1947,1948,
igr2=1953,1954,
&end
#
# 0 AMB 20-2:5087 64 THR MG2 4.50 (# 5087:20 Single
Ambig)
&rst
ixpk= 5087, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1= 934, 935,1330,1331,
igr2= 922, 923, 924,
&end
#
# 124 MET HG- 128 ILE QG2 3.50 (# 5089:20 Unique
2.66, 3.65 A)
&rst
ixpk= 5089, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1=1869,1870,
igr2=1930,1931,1932,
&end
#
# 124 MET HG+ 128 ILE QG2 3.50 (# 5090:20 Unique
2.66, 3.65 A)
&rst
ixpk= 5090, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1=1869,1870,
igr2=1930,1931,1932,
&end
#
# 114 GLN HE2+ 114 GLN HG+ 4.50 (# 5091:20 Unique
2.23, 3.28 A)
&rst
ixpk= 5091, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=1713,1714,
igr2=1708,1709,
&end
#
# 0 AMB 20-2:5093 8 VAL HB 5.50 (# 5093:20 Single
Ambig)
&rst
ixpk= 5093, nxpk= 20, iat= -1, 116, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1= 896, 861,
&end
#
# 51 ARG HA 50 ILE QG2 4.50 (# 5094:20 Unique
3.51, 4.72 A)
&rst
ixpk= 5094, nxpk= 20, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr2= 674, 675, 676,
&end
#
# 55 PRO HA 50 ILE QG2 5.50 (# 5095:20 Unique
6.00, 6.65 A)
&rst
ixpk= 5095, nxpk= 20, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2= 674, 675, 676,
&end
#
# 135 VAL MGY 113 ILE QD1 2.80 (# 5096:20 Unique
2.21, 5.00 A)
&rst
ixpk= 5096, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4=
5.03,
igr1=2038,2039,2040,2042,2043,2044,
igr2=1695,1696,1697,
&end
#
# 0 AMB 20-2:5097 50 ILE QD1 5.50 (# 5097:20 Single
Ambig)
&rst
ixpk= 5097, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4=
8.82,
igr1= 584, 770, 771, 660,
igr2= 681, 682, 683,
&end
#
# 97 LEU HG 50 ILE QD1 4.50 (# 5099:20 Unique
4.80, 5.37 A)
&rst
ixpk= 5099, nxpk= 20, iat=1432, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4=
5.90,
igr2= 681, 682, 683,
&end
#
# 0 AMB 20-2:5100 50 ILE QD1 4.50 (# 5100:20 Single
Ambig)
&rst
ixpk= 5100, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4=
6.99,
igr1= 89, 512, 513,
igr2= 681, 682, 683,
&end
#
# 81 ILE QD1 78 PRO HB- 5.50 (# 5101:20 Unique
2.81, 4.97 A)
&rst
ixpk= 5101, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=1179,1180,1181,
igr2=1135,1136,
&end
#
# 98 ILE QD1 78 PRO HB- 3.50 (# 5102:20 Unique
2.41, 4.70 A)
&rst
ixpk= 5102, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4=
5.22,
igr1=1457,1458,1459,
igr2=1135,1136,
&end
#
# 127 PRO HD- 129 LYS HD- 5.50 (# 5103:20 Unique
6.49, 7.22 A)
&rst
ixpk= 5103, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=1911,1912,
igr2=1953,1954,
&end
#
# 0 AMB 20-2:5104 0 AMB 20-1:5104 4.50 (# 5104:20 Double
Ambig)
&rst
ixpk= 5104, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4=
7.64,
igr1=1956,1957,1869,1870,
igr2=1953,1954,1953,1954,
&end
#
# 0 AMB 20-2:5105 50 ILE QD1 4.50 (# 5105:20 Single
Ambig)
&rst
ixpk= 5105, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4=
7.57,
igr1=1496,1497, 506, 773, 774,
igr2= 681, 682, 683,
&end
#
# 81 ILE HG1- 81 ILE HB 3.50 (# 5106:20 Unique
2.42, 2.75 A)
&rst
ixpk= 5106, nxpk= 20, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 3.93, r4=
4.43,
igr1=1176,1177,
&end
#
# 0 AMB 20-2:5107 0 AMB 20-1:5107 3.50 (# 5107:20 Double
Ambig)
&rst
ixpk= 5107, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4=
7.30,
igr1=2281,2282,2283,2285,2286,2287, 291, 292, 293, 295,
296, 297, 975, 976, 977, 979, 980, 981,
igr2= 949, 950,2036,
&end
#
# 66 MET HN 66 MET HG- 5.50 (# 5109:20 Unique
2.76, 3.51 A)
&rst
ixpk= 5109, nxpk= 20, iat= 942, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 949, 950,
&end
#
# 0 AMB 20-2:5110 0 AMB 20-1:5110 5.50 (# 5110:20 Double
Ambig)
&rst
ixpk= 5110, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1= 959,2291,
igr2= 949, 950, 949, 950,
&end
#
# 138 ARG HD- 138 ARG HG+ 4.50 (# 5111:20 Unique
2.24, 2.62 A)
&rst
ixpk= 5111, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=2096,2097,
igr2=2093,2094,
&end
#
# 4 VAL HA 2 THR MG2 5.50 (# 5112:20 Unique
4.05, 5.55 A)
&rst
ixpk= 5112, nxpk= 20, iat= 49, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4=
7.11,
igr2= 27, 28, 29,
&end
#
# 66 MET HN 67 GLY HA- 5.50 (# 5113:20 Unique
4.12, 4.44 A)
&rst
ixpk= 5113, nxpk= 20, iat= 942, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 961, 962,
&end
#
# 66 MET HN 67 GLY HA+ 5.50 (# 5114:20 Unique
4.12, 4.44 A)
&rst
ixpk= 5114, nxpk= 20, iat= 942, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 961, 962,
&end
#
# 8 VAL HB 62 ASP HA 4.50 (# 5115:20 Unique
3.91, 4.05 A)
&rst
ixpk= 5115, nxpk= 20, iat= 116, 896, r1= 1.30, r2= 1.80, r3= 4.50, r4=
5.00, &end
#
# 0 AMB 20-2:5116 0 AMB 20-1:5116 3.50 (# 5116:20 Double
Ambig)
&rst
ixpk= 5116, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4=
5.80,
igr1= 284, 328,
igr2= 339, 340, 339, 340, 339, 340,
&end
#
# 8 VAL MGY 62 ASP HB- 4.50 (# 5117:20 Unique
2.64, 4.83 A)
&rst
ixpk= 5117, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4=
7.31,
igr1= 118, 119, 120, 122, 123, 124,
igr2= 898, 899,
&end
#
# 8 VAL MGX 62 ASP HA 4.50 (# 5118:20 Unique
4.78, 6.12 A)
&rst
ixpk= 5118, nxpk= 20, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1= 118, 119, 120, 122, 123, 124,
&end
#
# 61 VAL MGX 62 ASP HA 4.50 (# 5119:20 Unique
3.17, 5.44 A)
&rst
ixpk= 5119, nxpk= 20, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 6.07, r4=
6.57,
igr1= 884, 885, 886, 888, 889, 890,
&end
#
# 63 ALA MB 115 PRO HD- 5.50 (# 5120:20 Unique
2.34, 4.35 A)
&rst
ixpk= 5120, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 910, 911, 912,
igr2=1719,1720,
&end
#
# 113 ILE HG1+ 131 ALA MB 2.80 (# 5121:20 Unique
2.63, 4.59 A)
&rst
ixpk= 5121, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4=
4.27,
igr1=1692,1693,
igr2=1981,1982,1983,
&end
#
# 78 PRO HA 81 ILE QG2 3.50 (# 5122:20 Unique
3.37, 4.32 A)
&rst
ixpk= 5122, nxpk= 20, iat=1138, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4=
4.70,
igr2=1172,1173,1174,
&end
#
# 0 AMB 20-2:5124 151 LEU HA 5.50 (# 5124:20 Single
Ambig)
&rst
ixpk= 5124, nxpk= 20, iat= -1,2274, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr1=2257,1080,
&end
#
# 137 GLN HA 31 LYS HD- 5.50 (# 5125:20 Unique
2.72, 4.11 A)
&rst
ixpk= 5125, nxpk= 20, iat=2071, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 413, 414,
&end
#
# 140 GLU HB+ 31 LYS HD- 4.50 (# 5126:20 Unique
2.42, 4.51 A)
&rst
ixpk= 5126, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=2133,2134,
igr2= 413, 414,
&end
#
# 0 AMB 20-2:5127 0 AMB 20-1:5127 5.50 (# 5127:20 Double
Ambig)
&rst
ixpk= 5127, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.80,
r4=10.30,
igr1=2119,2120,2121,2123,2124,2125, 330, 331,
igr2= 416, 417, 416, 417,
&end
#
# 0 AMB 20-2:5128 31 LYS HE- 5.50 (# 5128:20 Single
Ambig)
&rst
ixpk= 5128, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4=
9.23,
igr1=2119,2120,2121,2123,2124,2125, 330, 331,
igr2= 416, 417,
&end
#
# 0 AMB 20-2:5129 0 AMB 20-1:5129 5.50 (# 5129:20 Double
Ambig)
&rst
ixpk= 5129, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70,
r4=10.20,
igr1= 446,1412,1421,2056,2065,
igr2=2114,2115,1429,1430,2114,2115,
&end
#
# 0 AMB 20-2:5130 139 LEU HB- 5.50 (# 5130:20 Single
Ambig)
&rst
ixpk= 5130, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 446,2056,2065,
igr2=2114,2115,
&end
#
# 136 TYR HA 5 LEU MDX 5.50 (# 5131:20 Unique
4.51, 6.32 A)
&rst
ixpk= 5131, nxpk= 20, iat=2050, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr2= 72, 73, 74, 76, 77, 78,
&end
#
# 142 TRP HE1 109 ILE HG1+ 5.50 (# 5132:20 Unique
2.50, 4.59 A)
&rst
ixpk= 5132, nxpk= 20, iat=2161, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2=1627,1628,
&end
#
# 0 AMB 20-2:5133 0 AMB 20-1:5133 5.50 (# 5133:20 Double
Ambig)
&rst
ixpk= 5133, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4=
8.28,
igr1= 37, 799,
igr2= 773, 774, 773, 774,
&end
#
# 3 ASP HA 55 PRO HG- 5.50 (# 5134:20 Unique
4.86, 6.03 A)
&rst
ixpk= 5134, nxpk= 20, iat= 37, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4=
6.67,
igr2= 773, 774,
&end
#
# 0 AMB 20-2:5135 75 ILE QG2 5.50 (# 5135:20 Single
Ambig)
&rst
ixpk= 5135, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1=2255,2197,
igr2=1084,1085,1086,
&end
#
# 0 AMB 60-2:1 96 TYR HD 3.50 (# 1:60 Single
Ambig)
&rst
ixpk= 1, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr1=1361,1362,1361,1362,1482,1483,
igr2=1412,1421,
&end
#
# 0 AMB 60-2:2 96 TYR HD 2.80 (# 2:60 Single
Ambig)
&rst
ixpk= 2, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1408,1409,1408,1409,
igr2=1412,1421,
&end
#
# 96 TYR HE 96 TYR HD 2.80 (# 4:60 Unique
2.46, 3.72 A)
&rst
ixpk= 4, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1414,1419,
igr2=1412,1421,
&end
#
# 122 TYR HA 122 TYR HD 4.50 (# 7:60 Unique
2.18, 3.48 A)
&rst
ixpk= 7, nxpk= 60, iat=1829, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1835,1844,
&end
#
# 122 TYR HB+ 122 TYR HD 4.50 (# 8:60 Unique
2.30, 3.11 A)
&rst
ixpk= 8, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1831,1832,
igr2=1835,1844,
&end
#
# 122 TYR HB- 122 TYR HD 5.50 (# 9:60 Unique
2.30, 3.11 A)
&rst
ixpk= 9, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1831,1832,
igr2=1835,1844,
&end
#
# 123 PRO HD- 122 TYR HD 5.50 (# 10:60 Unique
2.46, 4.77 A)
&rst
ixpk= 10, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1849,1850,
igr2=1835,1844,
&end
#
# 121 TYR HB- 121 TYR HD 4.50 (# 12:60 Unique
2.37, 3.08 A)
&rst
ixpk= 12, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1810,1811,
igr2=1814,1823,
&end
#
# 121 TYR HB+ 121 TYR HD 5.50 (# 13:60 Unique
2.37, 3.08 A)
&rst
ixpk= 13, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1810,1811,
igr2=1814,1823,
&end
#
# 0 AMB 60-2:15 96 TYR HD 4.50 (# 15:60 Single
Ambig)
&rst
ixpk= 15, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1358,1359,1427,
igr2=1412,1421,
&end
#
# 120 PHE HN 122 TYR HD 5.50 (# 17:60 Unique
3.53, 5.62 A)
&rst
ixpk= 17, nxpk= 60, iat=1786, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1835,1844,
&end
#
# 118 VAL HN 122 TYR HD 5.50 (# 18:60 Unique
3.12, 6.20 A)
&rst
ixpk= 18, nxpk= 60, iat=1763, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1835,1844,
&end
#
# 139 LEU MDY 34 TRP HD1 5.50 (# 36:60 Unique
2.06, 4.15 A)
&rst
ixpk= 36, nxpk= 60, iat= -1, 454, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2119,2120,2121,2123,2124,2125,
&end
#
# 139 LEU MDX 34 TRP HD1 5.50 (# 37:60 Unique
2.06, 4.15 A)
&rst
ixpk= 37, nxpk= 60, iat= -1, 454, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2119,2120,2121,2123,2124,2125,
&end
#
# 139 LEU HB- 34 TRP HD1 4.50 (# 38:60 Unique
2.06, 3.51 A)
&rst
ixpk= 38, nxpk= 60, iat= -1, 454, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2114,2115,
&end
#
# 34 TRP HB- 34 TRP HD1 4.50 (# 40:60 Unique
2.39, 3.11 A)
&rst
ixpk= 40, nxpk= 60, iat= -1, 454, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 450, 451,
&end
#
# 0 AMB 60-2:41 34 TRP HD1 4.50 (# 41:60 Single
Ambig)
&rst
ixpk= 41, nxpk= 60, iat= -1, 454, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 427, 428, 427, 428,
&end
#
# 34 TRP HN 34 TRP HD1 3.50 (# 42:60 Unique
2.11, 2.98 A)
&rst
ixpk= 42, nxpk= 60, iat= 446, 454, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
&end
#
# 34 TRP HE1 34 TRP HD1 2.80 (# 43:60 Unique
2.49, 2.53 A)
&rst
ixpk= 43, nxpk= 60, iat= 456, 454, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,
&end
#
# 0 AMB 60-2:44 142 TRP HD1 5.50 (# 44:60 Single
Ambig)
&rst
ixpk= 44, nxpk= 60, iat= -1,2159, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2192,2193,2192,2193,
&end
#
# 142 TRP HB- 142 TRP HD1 4.50 (# 45:60 Unique
2.47, 3.32 A)
&rst
ixpk= 45, nxpk= 60, iat= -1,2159, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2155,2156,
&end
#
# 0 AMB 60-2:48 142 TRP HD1 5.50 (# 48:60 Single
Ambig)
&rst
ixpk= 48, nxpk= 60, iat= -1,2159, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1623,1624,1625,1630,1631,1632,1660,1661,
&end
#
# 142 TRP HE1 142 TRP HD1 2.80 (# 50:60 Unique
2.52, 2.54 A)
&rst
ixpk= 50, nxpk= 60, iat=2161,2159, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,
&end
#
# 34 TRP HZ2 34 TRP HH2 2.80 (# 53:60 Unique
2.49, 2.50 A)
&rst
ixpk= 53, nxpk= 60, iat= 459, 461, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,
&end
#
# 142 TRP HB- 34 TRP HZ2 3.50 (# 61:60 Unique
2.35, 4.93 A)
&rst
ixpk= 61, nxpk= 60, iat= -1, 459, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2155,2156,
&end
#
# 142 TRP HB+ 34 TRP HZ2 4.50 (# 62:60 Unique
2.35, 4.93 A)
&rst
ixpk= 62, nxpk= 60, iat= -1, 459, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2155,2156,
&end
#
# 34 TRP HH2 34 TRP HZ2 3.50 (# 63:60 Unique
2.49, 2.50 A)
&rst
ixpk= 63, nxpk= 60, iat= 461, 459, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
&end
#
# 34 TRP HE1 34 TRP HZ2 4.50 (# 64:60 Unique
2.88, 2.91 A)
&rst
ixpk= 64, nxpk= 60, iat= 456, 459, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
&end
#
# 109 ILE QG2 142 TRP HZ2 3.50 (# 65:60 Unique
2.12, 4.70 A)
&rst
ixpk= 65, nxpk= 60, iat= -1,2164, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1623,1624,1625,
&end
#
# 142 TRP HE1 142 TRP HZ2 4.50 (# 66:60 Unique
2.86, 2.90 A)
&rst
ixpk= 66, nxpk= 60, iat=2161,2164, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
&end
#
# 94 LEU MDX 96 TYR HD 5.50 (# 68:60 Unique
3.36, 7.43 A)
&rst
ixpk= 68, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1380,1381,1382,1384,1385,1386,
igr2=1412,1421,
&end
#
# 94 LEU HB- 96 TYR HD 5.50 (# 70:60 Unique
4.82, 7.14 A)
&rst
ixpk= 70, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1375,1376,
igr2=1412,1421,
&end
#
# 97 LEU HG 96 TYR HD 5.50 (# 71:60 Unique
6.31, 7.21 A)
&rst
ixpk= 71, nxpk= 60, iat=1432, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1412,1421,
&end
#
# 0 AMB 60-2:77 96 TYR HD 4.50 (# 77:60 Single
Ambig)
&rst
ixpk= 77, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1371,1463,
igr2=1412,1421,
&end
#
# 121 TYR HN 121 TYR HD 5.50 (# 82:60 Unique
3.35, 4.55 A)
&rst
ixpk= 82, nxpk= 60, iat=1806, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1814,1823,
&end
#
# 59 LEU MDY 142 TRP HZ2 5.50 (# 101:60 Unique
2.48, 4.89 A)
&rst
ixpk= 101, nxpk= 60, iat= -1,2164, r1= 1.30, r2= 1.80, r3= 7.41, r4=
7.91,
igr1= 849, 850, 851, 853, 854, 855,
&end
#
# 59 LEU HB- 142 TRP HZ2 4.50 (# 102:60 Unique
2.46, 4.40 A)
&rst
ixpk= 102, nxpk= 60, iat= -1,2164, r1= 1.30, r2= 1.80, r3= 5.05, r4=
5.55,
igr1= 844, 845,
&end
#
# 148 PHE HB- 148 PHE HD 5.50 (# 117:60 Unique
2.42, 3.11 A)
&rst
ixpk= 117, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4=
7.43,
igr1=2229,2230,
igr2=2233,2241,
&end
#
# 148 PHE HB+ 148 PHE HD 4.50 (# 118:60 Unique
2.42, 3.11 A)
&rst
ixpk= 118, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4=
6.17,
igr1=2229,2230,
igr2=2233,2241,
&end
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