NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
586805 |
2mqw   |
19220 | cing | 1-original | 2 | AMBER | distance | NOE | simple |
# 2 PHE HD 2 PHE HN 5.50 (# 0:10 Unique 1.94, 4.29 A)
&rst
ixpk= 0, nxpk= 10, iat= -1, 21, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
igr1= 29, 37,
&end
#
# 1 MET HA 2 PHE HN 3.50 (# 1:10 Unique 2.34, 2.95 A)
&rst
ixpk= 1, nxpk= 10, iat= 6, 21, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:2 81 TYR HN 4.50 (# 2:10 Single Ambig)
&rst
ixpk= 2, nxpk= 10, iat= -1,1358, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1338,1297,1298,
&end
#
# 2 PHE HB- 2 PHE HN 3.50 (# 3:10 Unique 2.23, 3.38 A)
&rst
ixpk= 3, nxpk= 10, iat= -1, 21, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 25, 26,
&end
#
# 2 PHE HB+ 2 PHE HN 3.50 (# 4:10 Unique 2.23, 3.38 A)
&rst
ixpk= 4, nxpk= 10, iat= -1, 21, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 25, 26,
&end
#
# 81 TYR HB- 81 TYR HN 5.50 (# 5:10 Unique 2.07, 3.05 A)
&rst
ixpk= 5, nxpk= 10, iat= -1,1358, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1362,1363,
&end
#
# 1 MET HB+ 2 PHE HN 2.80 (# 6:10 Unique 1.94, 2.97 A)
&rst
ixpk= 6, nxpk= 10, iat= -1, 21, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 8, 9,
&end
#
# 3 ASN HB+ 3 ASN HN 4.50 (# 7:10 Unique 2.30, 3.41 A)
&rst
ixpk= 7, nxpk= 10, iat= -1, 41, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 45, 46,
&end
#
# 0 AMB 10-2:8 4 ASN HN 4.50 (# 8:10 Single Ambig)
&rst
ixpk= 8, nxpk= 10, iat= -1, 55, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 45, 46, 59, 60,
&end
#
# 6 GLU HA 6 GLU HN 3.50 (# 9:10 Unique 2.67, 2.80 A)
&rst
ixpk= 9, nxpk= 10, iat= 88, 86, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 5 HIS HB- 6 GLU HN 4.50 (# 11:10 Unique 1.85, 2.34 A)
&rst
ixpk= 11, nxpk= 10, iat= -1, 86, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 73, 74,
&end
#
# 5 HIS HB+ 6 GLU HN 4.50 (# 12:10 Unique 1.85, 2.34 A)
&rst
ixpk= 12, nxpk= 10, iat= -1, 86, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 73, 74,
&end
#
# 6 GLU HB+ 6 GLU HN 3.50 (# 13:10 Unique 2.24, 3.11 A)
&rst
ixpk= 13, nxpk= 10, iat= -1, 86, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 90, 91,
&end
#
# 6 GLU HG+ 6 GLU HN 3.50 (# 14:10 Unique 1.90, 2.77 A)
&rst
ixpk= 14, nxpk= 10, iat= -1, 86, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 93, 94,
&end
#
# 0 AMB 10-2:15 7 ILE HN 3.50 (# 15:10 Single Ambig)
&rst
ixpk= 15, nxpk= 10, iat= -1, 101, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 86, 120,
&end
#
# 0 AMB 10-2:16 0 AMB 10-1:16 3.50 (# 16:10 Double Ambig)
&rst
ixpk= 16, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 88,2240,
igr2= 101,1594,
&end
#
# 0 AMB 10-2:17 0 AMB 10-1:17 3.50 (# 17:10 Double Ambig)
&rst
ixpk= 17, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 103,1596,
igr2= 101,1594,
&end
#
# 0 AMB 10-2:18 0 AMB 10-1:18 5.50 (# 18:10 Double Ambig)
&rst
ixpk= 18, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 124, 125,1560,1561,1626,1627,1679,1680,
igr2= 101,1594,
&end
#
# 6 GLU HG+ 7 ILE HN 5.50 (# 19:10 Unique 1.81, 4.13 A)
&rst
ixpk= 19, nxpk= 10, iat= -1, 101, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 93, 94,
&end
#
# 6 GLU HB+ 7 ILE HN 3.50 (# 20:10 Unique 1.97, 2.94 A)
&rst
ixpk= 20, nxpk= 10, iat= -1, 101, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 90, 91,
&end
#
# 7 ILE HB 7 ILE HN 3.50 (# 21:10 Unique 2.22, 2.55 A)
&rst
ixpk= 21, nxpk= 10, iat= 105, 101, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 7 ILE HG1+ 7 ILE HN 3.50 (# 22:10 Unique 1.92, 2.82 A)
&rst
ixpk= 22, nxpk= 10, iat= -1, 101, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 111, 112,
&end
#
# 7 ILE HG1- 7 ILE HN 3.50 (# 23:10 Unique 1.92, 2.82 A)
&rst
ixpk= 23, nxpk= 10, iat= -1, 101, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 111, 112,
&end
#
# 7 ILE QG2 7 ILE HN 4.50 (# 24:10 Unique 4.07, 4.52 A)
&rst
ixpk= 24, nxpk= 10, iat= -1, 101, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 107, 108, 109,
&end
#
# 7 ILE QD1 7 ILE HN 3.50 (# 25:10 Unique 2.93, 4.07 A)
&rst
ixpk= 25, nxpk= 10, iat= -1, 101, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 114, 115, 116,
&end
#
# 7 ILE HN 8 ASP HN 3.50 (# 26:10 Unique 2.69, 2.83 A)
&rst
ixpk= 26, nxpk= 10, iat= 101, 120, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 9 THR HN 8 ASP HN 3.50 (# 27:10 Unique 2.83, 2.98 A)
&rst
ixpk= 27, nxpk= 10, iat= 132, 120, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 8 ASP HA 8 ASP HN 3.50 (# 28:10 Unique 2.75, 2.77 A)
&rst
ixpk= 28, nxpk= 10, iat= 122, 120, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 7 ILE HA 8 ASP HN 4.50 (# 29:10 Unique 3.53, 3.56 A)
&rst
ixpk= 29, nxpk= 10, iat= 103, 120, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 9 THR HB 8 ASP HN 5.50 (# 30:10 Unique 4.84, 5.00 A)
&rst
ixpk= 30, nxpk= 10, iat= 136, 120, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 8 ASP HB+ 8 ASP HN 2.80 (# 31:10 Unique 2.19, 2.54 A)
&rst
ixpk= 31, nxpk= 10, iat= -1, 120, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 124, 125,
&end
#
# 7 ILE HB 8 ASP HN 3.50 (# 32:10 Unique 2.19, 2.40 A)
&rst
ixpk= 32, nxpk= 10, iat= 105, 120, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 9 THR MG2 8 ASP HN 6.50 (# 34:10 Unique 6.85, 7.27 A)
&rst
ixpk= 34, nxpk= 10, iat= -1, 120, r1= 0.00, r2= 1.80, r3= 7.81, r4= 8.56,
igr1= 138, 139, 140,
&end
#
# 0 AMB 10-2:35 8 ASP HN 4.50 (# 35:10 Single Ambig)
&rst
ixpk= 35, nxpk= 10, iat= -1, 120, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 111, 112, 172,
&end
#
# 0 AMB 10-2:36 8 ASP HN 5.50 (# 36:10 Single Ambig)
&rst
ixpk= 36, nxpk= 10, iat= -1, 120, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 111, 112, 169, 170,
&end
#
# 7 ILE QG2 8 ASP HN 3.50 (# 37:10 Unique 2.70, 4.08 A)
&rst
ixpk= 37, nxpk= 10, iat= -1, 120, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 107, 108, 109,
&end
#
# 7 ILE QD1 8 ASP HN 5.50 (# 38:10 Unique 4.77, 5.64 A)
&rst
ixpk= 38, nxpk= 10, iat= -1, 120, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 114, 115, 116,
&end
#
# 7 ILE QG2 9 THR HN 5.50 (# 39:10 Unique 5.27, 6.45 A)
&rst
ixpk= 39, nxpk= 10, iat= -1, 132, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 107, 108, 109,
&end
#
# 9 THR MG2 9 THR HN 4.50 (# 40:10 Unique 4.39, 4.53 A)
&rst
ixpk= 40, nxpk= 10, iat= -1, 132, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 138, 139, 140,
&end
#
# 10 ILE HG1+ 9 THR HN 6.50 (# 41:10 Unique 4.73, 5.75 A)
&rst
ixpk= 41, nxpk= 10, iat= -1, 132, r1= 0.00, r2= 1.80, r3= 7.30, r4= 8.05,
igr1= 156, 157,
&end
#
# 119 SER HB- 119 SER HN 3.50 (# 44:10 Unique 2.09, 3.15 A)
&rst
ixpk= 44, nxpk= 10, iat= -1,1981, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1985,1986,
&end
#
# 9 THR HA 9 THR HN 3.50 (# 46:10 Unique 2.74, 2.76 A)
&rst
ixpk= 46, nxpk= 10, iat= 134, 132, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:47 0 AMB 10-1:47 3.50 (# 47:10 Double Ambig)
&rst
ixpk= 47, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 120,1960,
igr2= 132,1981,
&end
#
# 10 ILE QG2 10 ILE HN 4.50 (# 48:10 Unique 3.80, 4.49 A)
&rst
ixpk= 48, nxpk= 10, iat= -1, 146, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 152, 153, 154,
&end
#
# 0 AMB 10-2:49 10 ILE HN 3.50 (# 49:10 Single Ambig)
&rst
ixpk= 49, nxpk= 10, iat= -1, 146, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
igr1= 159, 160, 161, 218, 219, 220, 222, 223, 224, 218,
219, 220, 222, 223, 224,
&end
#
# 10 ILE HG1- 10 ILE HN 4.50 (# 50:10 Unique 2.21, 3.02 A)
&rst
ixpk= 50, nxpk= 10, iat= -1, 146, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 156, 157,
&end
#
# 9 THR MG2 10 ILE HN 3.50 (# 51:10 Unique 3.16, 3.93 A)
&rst
ixpk= 51, nxpk= 10, iat= -1, 146, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 138, 139, 140,
&end
#
# 10 ILE HG1+ 10 ILE HN 4.50 (# 52:10 Unique 2.21, 3.02 A)
&rst
ixpk= 52, nxpk= 10, iat= -1, 146, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 156, 157,
&end
#
# 10 ILE HB 10 ILE HN 3.50 (# 53:10 Unique 2.13, 2.41 A)
&rst
ixpk= 53, nxpk= 10, iat= 150, 146, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 10 ILE HA 10 ILE HN 4.50 (# 54:10 Unique 2.74, 2.76 A)
&rst
ixpk= 54, nxpk= 10, iat= 148, 146, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 9 THR HA 10 ILE HN 5.50 (# 55:10 Unique 3.56, 3.57 A)
&rst
ixpk= 55, nxpk= 10, iat= 134, 146, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 9 THR HB 10 ILE HN 4.50 (# 56:10 Unique 2.26, 2.37 A)
&rst
ixpk= 56, nxpk= 10, iat= 136, 146, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:57 10 ILE HN 3.50 (# 57:10 Single Ambig)
&rst
ixpk= 57, nxpk= 10, iat= -1, 146, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 165, 184,
&end
#
# 10 ILE HN 11 LEU HN 3.50 (# 58:10 Unique 2.88, 3.06 A)
&rst
ixpk= 58, nxpk= 10, iat= 146, 165, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:59 0 AMB 10-1:59 3.50 (# 59:10 Double Ambig)
&rst
ixpk= 59, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1568, 195,
igr2=1556, 165,
&end
#
# 93 ASP HA 93 ASP HN 3.50 (# 61:10 Unique 2.76, 2.77 A)
&rst
ixpk= 61, nxpk= 10, iat=1558,1556, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 11 LEU HA 11 LEU HN 3.50 (# 63:10 Unique 2.70, 2.73 A)
&rst
ixpk= 63, nxpk= 10, iat= 167, 165, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 92 PHE HB+ 93 ASP HN 5.50 (# 64:10 Unique 1.90, 2.71 A)
&rst
ixpk= 64, nxpk= 10, iat= -1,1556, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1540,1541,
&end
#
# 93 ASP HB+ 93 ASP HN 3.50 (# 66:10 Unique 2.08, 2.95 A)
&rst
ixpk= 66, nxpk= 10, iat= -1,1556, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1560,1561,
&end
#
# 10 ILE HB 11 LEU HN 4.50 (# 69:10 Unique 2.09, 2.27 A)
&rst
ixpk= 69, nxpk= 10, iat= 150, 165, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:70 11 LEU HN 4.50 (# 70:10 Single Ambig)
&rst
ixpk= 70, nxpk= 10, iat= -1, 165, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 172, 111, 112,
&end
#
# 11 LEU HB- 11 LEU HN 4.50 (# 71:10 Unique 2.04, 2.65 A)
&rst
ixpk= 71, nxpk= 10, iat= -1, 165, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 169, 170,
&end
#
# 11 LEU MDX 11 LEU HN 4.50 (# 72:10 Unique 2.67, 4.51 A)
&rst
ixpk= 72, nxpk= 10, iat= -1, 165, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 174, 175, 176, 178, 179, 180,
&end
#
# 11 LEU MDY 11 LEU HN 4.50 (# 73:10 Unique 2.67, 4.51 A)
&rst
ixpk= 73, nxpk= 10, iat= -1, 165, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 174, 175, 176, 178, 179, 180,
&end
#
# 10 ILE QG2 11 LEU HN 4.50 (# 74:10 Unique 2.30, 3.46 A)
&rst
ixpk= 74, nxpk= 10, iat= -1, 165, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 152, 153, 154,
&end
#
# 13 THR HN 12 SER HN 3.50 (# 75:10 Unique 2.78, 2.96 A)
&rst
ixpk= 75, nxpk= 10, iat= 195, 184, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 11 LEU HA 12 SER HN 3.50 (# 76:10 Unique 3.53, 3.55 A)
&rst
ixpk= 76, nxpk= 10, iat= 167, 184, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 12 SER HA 12 SER HN 2.80 (# 77:10 Unique 2.72, 2.77 A)
&rst
ixpk= 77, nxpk= 10, iat= 186, 184, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 8 ASP HA 12 SER HN 5.50 (# 78:10 Unique 3.64, 4.01 A)
&rst
ixpk= 78, nxpk= 10, iat= 122, 184, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 11 LEU HB+ 12 SER HN 3.50 (# 79:10 Unique 2.16, 2.95 A)
&rst
ixpk= 79, nxpk= 10, iat= -1, 184, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 169, 170,
&end
#
# 0 AMB 10-2:81 12 SER HN 5.50 (# 81:10 Single Ambig)
&rst
ixpk= 81, nxpk= 10, iat= -1, 184, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 138, 139, 140, 201, 202, 203,
&end
#
# 10 ILE QG2 12 SER HN 6.50 (# 82:10 Unique 4.76, 5.75 A)
&rst
ixpk= 82, nxpk= 10, iat= -1, 184, r1= 0.00, r2= 1.80, r3= 7.81, r4= 8.56,
igr1= 152, 153, 154,
&end
#
# 11 LEU MDY 12 SER HN 5.50 (# 83:10 Unique 4.13, 5.41 A)
&rst
ixpk= 83, nxpk= 10, iat= -1, 184, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 174, 175, 176, 178, 179, 180,
&end
#
# 11 LEU MDX 12 SER HN 5.50 (# 84:10 Unique 4.13, 5.41 A)
&rst
ixpk= 84, nxpk= 10, iat= -1, 184, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 174, 175, 176, 178, 179, 180,
&end
#
# 11 LEU HB- 12 SER HN 4.50 (# 85:10 Unique 2.16, 2.95 A)
&rst
ixpk= 85, nxpk= 10, iat= -1, 184, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 169, 170,
&end
#
# 0 AMB 10-2:86 13 THR HN 3.50 (# 86:10 Single Ambig)
&rst
ixpk= 86, nxpk= 10, iat= -1, 195, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 184, 165,
&end
#
# 14 LEU HN 13 THR HN 4.50 (# 87:10 Unique 2.70, 2.93 A)
&rst
ixpk= 87, nxpk= 10, iat= 209, 195, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 13 THR HB 13 THR HN 3.50 (# 88:10 Unique 2.50, 2.63 A)
&rst
ixpk= 88, nxpk= 10, iat= 199, 195, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:89 13 THR HN 2.80 (# 89:10 Single Ambig)
&rst
ixpk= 89, nxpk= 10, iat= -1, 195, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 188, 189, 197,
&end
#
# 13 THR MG2 13 THR HN 4.50 (# 91:10 Unique 4.28, 4.53 A)
&rst
ixpk= 91, nxpk= 10, iat= -1, 195, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 201, 202, 203,
&end
#
# 0 AMB 10-2:92 14 LEU HN 3.50 (# 92:10 Single Ambig)
&rst
ixpk= 92, nxpk= 10, iat= -1, 209, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 218, 219, 220, 222, 223, 224, 218, 219, 220, 222,
223, 224,
&end
#
# 13 THR MG2 14 LEU HN 3.50 (# 93:10 Unique 2.99, 4.09 A)
&rst
ixpk= 93, nxpk= 10, iat= -1, 209, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 201, 202, 203,
&end
#
# 13 THR HN 14 LEU HN 4.50 (# 96:10 Unique 2.70, 2.93 A)
&rst
ixpk= 96, nxpk= 10, iat= 195, 209, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 15 ARG HN 14 LEU HN 3.50 (# 97:10 Unique 2.77, 2.88 A)
&rst
ixpk= 97, nxpk= 10, iat= 228, 209, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:98 14 LEU HN 4.50 (# 98:10 Single Ambig)
&rst
ixpk= 98, nxpk= 10, iat= -1, 209, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 199, 211,
&end
#
# 0 AMB 10-2:100 14 LEU HN 3.50 (# 100:10 Single Ambig)
&rst
ixpk= 100, nxpk= 10, iat= -1, 209, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 197, 186,
&end
#
# 0 AMB 10-2:102 0 AMB 10-1:102 3.50 (# 102:10 Double Ambig)
&rst
ixpk= 102, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=2382,2383,2384,2386,2387,2388, 232, 233,
igr2=2392, 228,
&end
#
# 15 ARG HB+ 15 ARG HN 3.50 (# 103:10 Unique 2.06, 2.57 A)
&rst
ixpk= 103, nxpk= 10, iat= -1, 228, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 232, 233,
&end
#
# 15 ARG HA 15 ARG HN 3.50 (# 104:10 Unique 2.76, 2.82 A)
&rst
ixpk= 104, nxpk= 10, iat= 230, 228, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 105 GLN HG- 105 GLN HN 3.50 (# 105:10 Unique 2.17, 3.48 A)
&rst
ixpk= 105, nxpk= 10, iat= -1,1750, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1757,1758,
&end
#
# 0 AMB 10-2:106 0 AMB 10-1:106 4.50 (# 106:10 Double Ambig)
&rst
ixpk= 106, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 238, 239,2349,2350,
igr2= 228,2392,
&end
#
# 16 MET HA 15 ARG HN 5.50 (# 108:10 Unique 5.15, 5.28 A)
&rst
ixpk= 108, nxpk= 10, iat= 254, 228, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 16 MET HN 15 ARG HN 3.50 (# 109:10 Unique 2.51, 2.67 A)
&rst
ixpk= 109, nxpk= 10, iat= 252, 228, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:110 15 ARG HN 4.50 (# 110:10 Single Ambig)
&rst
ixpk= 110, nxpk= 10, iat= -1, 228, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 209, 284,
&end
#
# 15 ARG HB- 16 MET HN 4.50 (# 115:10 Unique 2.31, 3.18 A)
&rst
ixpk= 115, nxpk= 10, iat= -1, 252, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 232, 233,
&end
#
# 15 ARG HB+ 16 MET HN 4.50 (# 117:10 Unique 2.31, 3.18 A)
&rst
ixpk= 117, nxpk= 10, iat= -1, 252, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 232, 233,
&end
#
# 15 ARG HA 16 MET HN 4.50 (# 119:10 Unique 3.46, 3.53 A)
&rst
ixpk= 119, nxpk= 10, iat= 230, 252, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 16 MET HB+ 16 MET HN 2.80 (# 120:10 Unique 2.24, 3.05 A)
&rst
ixpk= 120, nxpk= 10, iat= -1, 252, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 256, 257,
&end
#
# 16 MET HG- 16 MET HN 3.50 (# 121:10 Unique 2.05, 2.79 A)
&rst
ixpk= 121, nxpk= 10, iat= -1, 252, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 259, 260,
&end
#
# 16 MET HG+ 16 MET HN 3.50 (# 122:10 Unique 2.05, 2.79 A)
&rst
ixpk= 122, nxpk= 10, iat= -1, 252, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 259, 260,
&end
#
# 12 SER HA 16 MET HN 3.50 (# 123:10 Unique 3.95, 4.30 A)
&rst
ixpk= 123, nxpk= 10, iat= 186, 252, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 16 MET HA 16 MET HN 3.50 (# 124:10 Unique 2.79, 2.84 A)
&rst
ixpk= 124, nxpk= 10, iat= 254, 252, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:125 16 MET HN 5.50 (# 125:10 Single Ambig)
&rst
ixpk= 125, nxpk= 10, iat= -1, 252, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 271, 286,
&end
#
# 0 AMB 10-2:126 16 MET HN 4.50 (# 126:10 Single Ambig)
&rst
ixpk= 126, nxpk= 10, iat= -1, 252, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 284, 209,
&end
#
# 15 ARG HN 16 MET HN 4.50 (# 127:10 Unique 2.51, 2.67 A)
&rst
ixpk= 127, nxpk= 10, iat= 228, 252, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 15 ARG HN 17 GLU HN 5.50 (# 128:10 Unique 3.62, 3.90 A)
&rst
ixpk= 128, nxpk= 10, iat= 228, 269, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 18 ALA HN 17 GLU HN 3.50 (# 129:10 Unique 1.95, 2.19 A)
&rst
ixpk= 129, nxpk= 10, iat= 284, 269, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 16 MET HA 17 GLU HN 3.50 (# 130:10 Unique 3.34, 3.44 A)
&rst
ixpk= 130, nxpk= 10, iat= 254, 269, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:131 17 GLU HN 3.50 (# 131:10 Single Ambig)
&rst
ixpk= 131, nxpk= 10, iat= -1, 269, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 271, 286,
&end
#
# 16 MET HG+ 17 GLU HN 5.50 (# 132:10 Unique 2.86, 4.03 A)
&rst
ixpk= 132, nxpk= 10, iat= -1, 269, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 259, 260,
&end
#
# 17 GLU HG+ 17 GLU HN 3.50 (# 133:10 Unique 2.30, 2.79 A)
&rst
ixpk= 133, nxpk= 10, iat= -1, 269, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 276, 277,
&end
#
# 17 GLU HG- 17 GLU HN 3.50 (# 134:10 Unique 2.30, 2.79 A)
&rst
ixpk= 134, nxpk= 10, iat= -1, 269, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 276, 277,
&end
#
# 17 GLU HB- 17 GLU HN 3.50 (# 135:10 Unique 2.59, 3.20 A)
&rst
ixpk= 135, nxpk= 10, iat= -1, 269, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 273, 274,
&end
#
# 17 GLU HB+ 17 GLU HN 2.80 (# 136:10 Unique 2.59, 3.20 A)
&rst
ixpk= 136, nxpk= 10, iat= -1, 269, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 273, 274,
&end
#
# 18 ALA MB 17 GLU HN 4.50 (# 137:10 Unique 3.77, 4.81 A)
&rst
ixpk= 137, nxpk= 10, iat= -1, 269, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 288, 289, 290,
&end
#
# 57 LEU MDX 17 GLU HN 5.50 (# 138:10 Unique 3.65, 5.30 A)
&rst
ixpk= 138, nxpk= 10, iat= -1, 269, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 937, 938, 939, 941, 942, 943,
&end
#
# 57 LEU MDY 17 GLU HN 4.50 (# 139:10 Unique 3.65, 5.30 A)
&rst
ixpk= 139, nxpk= 10, iat= -1, 269, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 937, 938, 939, 941, 942, 943,
&end
#
# 0 AMB 10-2:140 18 ALA HN 6.50 (# 140:10 Single Ambig)
&rst
ixpk= 140, nxpk= 10, iat= -1, 284, r1= 0.00, r2= 1.80, r3= 9.19, r4= 9.94,
igr1= 235, 236, 340, 341, 342, 344, 345, 346,
&end
#
# 57 LEU MDY 18 ALA HN 4.50 (# 141:10 Unique 3.26, 4.74 A)
&rst
ixpk= 141, nxpk= 10, iat= -1, 284, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 937, 938, 939, 941, 942, 943,
&end
#
# 57 LEU MDX 18 ALA HN 4.50 (# 142:10 Unique 3.26, 4.74 A)
&rst
ixpk= 142, nxpk= 10, iat= -1, 284, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 937, 938, 939, 941, 942, 943,
&end
#
# 18 ALA MB 18 ALA HN 2.80 (# 143:10 Unique 2.08, 2.90 A)
&rst
ixpk= 143, nxpk= 10, iat= -1, 284, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 288, 289, 290,
&end
#
# 17 GLU HB- 18 ALA HN 3.50 (# 144:10 Unique 3.19, 3.88 A)
&rst
ixpk= 144, nxpk= 10, iat= -1, 284, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 273, 274,
&end
#
# 17 GLU HB+ 18 ALA HN 3.50 (# 145:10 Unique 3.19, 3.88 A)
&rst
ixpk= 145, nxpk= 10, iat= -1, 284, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 273, 274,
&end
#
# 17 GLU HG+ 18 ALA HN 4.50 (# 146:10 Unique 4.23, 4.60 A)
&rst
ixpk= 146, nxpk= 10, iat= -1, 284, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 276, 277,
&end
#
# 16 MET HA 18 ALA HN 4.50 (# 147:10 Unique 3.75, 3.95 A)
&rst
ixpk= 147, nxpk= 10, iat= 254, 284, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 18 ALA HA 18 ALA HN 3.50 (# 148:10 Unique 2.84, 2.85 A)
&rst
ixpk= 148, nxpk= 10, iat= 286, 284, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 19 ASP HN 18 ALA HN 4.50 (# 149:10 Unique 4.35, 4.49 A)
&rst
ixpk= 149, nxpk= 10, iat= 294, 284, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 17 GLU HN 18 ALA HN 2.80 (# 150:10 Unique 1.95, 2.19 A)
&rst
ixpk= 150, nxpk= 10, iat= 269, 284, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 15 ARG HA 18 ALA HN 3.50 (# 151:10 Unique 3.10, 3.31 A)
&rst
ixpk= 151, nxpk= 10, iat= 230, 284, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 18 ALA HN 19 ASP HN 4.50 (# 152:10 Unique 4.35, 4.49 A)
&rst
ixpk= 152, nxpk= 10, iat= 284, 294, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 19 ASP HA 19 ASP HN 4.50 (# 153:10 Unique 2.79, 2.80 A)
&rst
ixpk= 153, nxpk= 10, iat= 296, 294, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 18 ALA HA 19 ASP HN 3.50 (# 154:10 Unique 2.14, 2.15 A)
&rst
ixpk= 154, nxpk= 10, iat= 286, 294, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:155 19 ASP HN 5.50 (# 155:10 Single Ambig)
&rst
ixpk= 155, nxpk= 10, iat= -1, 294, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 307, 308, 324, 325,
&end
#
# 19 ASP HB+ 19 ASP HN 3.50 (# 157:10 Unique 2.08, 2.79 A)
&rst
ixpk= 157, nxpk= 10, iat= -1, 294, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 298, 299,
&end
#
# 19 ASP HB- 19 ASP HN 3.50 (# 158:10 Unique 2.08, 2.79 A)
&rst
ixpk= 158, nxpk= 10, iat= -1, 294, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 298, 299,
&end
#
# 22 LEU MDX 19 ASP HN 4.50 (# 159:10 Unique 1.99, 4.58 A)
&rst
ixpk= 159, nxpk= 10, iat= -1, 294, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 340, 341, 342, 344, 345, 346,
&end
#
# 57 LEU MDX 19 ASP HN 4.50 (# 160:10 Unique 2.52, 4.71 A)
&rst
ixpk= 160, nxpk= 10, iat= -1, 294, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 937, 938, 939, 941, 942, 943,
&end
#
# 18 ALA MB 19 ASP HN 3.50 (# 161:10 Unique 3.20, 3.99 A)
&rst
ixpk= 161, nxpk= 10, iat= -1, 294, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 288, 289, 290,
&end
#
# 57 LEU HG 19 ASP HN 5.50 (# 163:10 Unique 4.12, 5.24 A)
&rst
ixpk= 163, nxpk= 10, iat= 935, 294, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 22 LEU HN 21 SER HN 3.50 (# 164:10 Unique 1.82, 2.07 A)
&rst
ixpk= 164, nxpk= 10, iat= 331, 320, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 21 SER HA 21 SER HN 3.50 (# 165:10 Unique 2.78, 2.88 A)
&rst
ixpk= 165, nxpk= 10, iat= 322, 320, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 21 SER HB+ 21 SER HN 3.50 (# 166:10 Unique 2.19, 3.16 A)
&rst
ixpk= 166, nxpk= 10, iat= -1, 320, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 324, 325,
&end
#
# 20 PRO HD- 21 SER HN 4.50 (# 167:10 Unique 2.86, 4.00 A)
&rst
ixpk= 167, nxpk= 10, iat= -1, 320, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 307, 308,
&end
#
# 0 AMB 10-2:168 21 SER HN 4.50 (# 168:10 Single Ambig)
&rst
ixpk= 168, nxpk= 10, iat= -1, 320, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 313, 314, 335, 336,
&end
#
# 19 ASP HB- 21 SER HN 5.50 (# 170:10 Unique 2.11, 3.45 A)
&rst
ixpk= 170, nxpk= 10, iat= -1, 320, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 298, 299,
&end
#
# 20 PRO HA 21 SER HN 5.50 (# 171:10 Unique 2.45, 3.02 A)
&rst
ixpk= 171, nxpk= 10, iat= 316, 320, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 22 LEU MDY 21 SER HN 5.50 (# 172:10 Unique 3.15, 5.29 A)
&rst
ixpk= 172, nxpk= 10, iat= -1, 320, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 340, 341, 342, 344, 345, 346,
&end
#
# 20 PRO HG- 21 SER HN 5.50 (# 174:10 Unique 3.07, 4.39 A)
&rst
ixpk= 174, nxpk= 10, iat= -1, 320, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 310, 311,
&end
#
# 21 SER HN 22 LEU HN 4.50 (# 175:10 Unique 1.82, 2.07 A)
&rst
ixpk= 175, nxpk= 10, iat= 320, 331, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 23 HIS HN 22 LEU HN 3.50 (# 176:10 Unique 2.00, 2.31 A)
&rst
ixpk= 176, nxpk= 10, iat= 350, 331, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 22 LEU HA 22 LEU HN 4.50 (# 177:10 Unique 2.93, 2.94 A)
&rst
ixpk= 177, nxpk= 10, iat= 333, 331, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 22 LEU MDX 22 LEU HN 3.50 (# 178:10 Unique 2.57, 3.96 A)
&rst
ixpk= 178, nxpk= 10, iat= -1, 331, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 340, 341, 342, 344, 345, 346,
&end
#
# 22 LEU MDY 22 LEU HN 3.50 (# 179:10 Unique 2.57, 3.96 A)
&rst
ixpk= 179, nxpk= 10, iat= -1, 331, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 340, 341, 342, 344, 345, 346,
&end
#
# 0 AMB 10-2:181 22 LEU HN 3.50 (# 181:10 Single Ambig)
&rst
ixpk= 181, nxpk= 10, iat= -1, 331, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 335, 336, 385, 386,
&end
#
# 22 LEU HG 22 LEU HN 4.50 (# 183:10 Unique 1.82, 1.90 A)
&rst
ixpk= 183, nxpk= 10, iat= 338, 331, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 22 LEU HN 23 HIS HN 3.50 (# 185:10 Unique 2.00, 2.31 A)
&rst
ixpk= 185, nxpk= 10, iat= 331, 350, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 23 HIS HD2 23 HIS HN 5.50 (# 186:10 Unique 3.04, 3.50 A)
&rst
ixpk= 186, nxpk= 10, iat= 363, 350, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:187 23 HIS HN 3.50 (# 187:10 Single Ambig)
&rst
ixpk= 187, nxpk= 10, iat= -1, 350, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 352, 333,
&end
#
# 23 HIS HB+ 23 HIS HN 3.50 (# 188:10 Unique 2.07, 2.79 A)
&rst
ixpk= 188, nxpk= 10, iat= -1, 350, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 354, 355,
&end
#
# 24 PRO HD- 23 HIS HN 3.50 (# 189:10 Unique 1.95, 2.62 A)
&rst
ixpk= 189, nxpk= 10, iat= -1, 350, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 368, 369,
&end
#
# 24 PRO HD+ 23 HIS HN 4.50 (# 190:10 Unique 1.95, 2.62 A)
&rst
ixpk= 190, nxpk= 10, iat= -1, 350, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 368, 369,
&end
#
# 23 HIS HB- 23 HIS HN 4.50 (# 191:10 Unique 2.07, 2.79 A)
&rst
ixpk= 191, nxpk= 10, iat= -1, 350, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 354, 355,
&end
#
# 20 PRO HA 23 HIS HN 4.50 (# 192:10 Unique 3.27, 3.75 A)
&rst
ixpk= 192, nxpk= 10, iat= 316, 350, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 22 LEU MDY 23 HIS HN 4.50 (# 193:10 Unique 4.59, 5.76 A)
&rst
ixpk= 193, nxpk= 10, iat= -1, 350, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 340, 341, 342, 344, 345, 346,
&end
#
# 82 LEU HB+ 82 LEU HN 3.50 (# 194:10 Unique 2.06, 2.67 A)
&rst
ixpk= 194, nxpk= 10, iat= -1,1379, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1383,1384,
&end
#
# 25 LEU HB- 25 LEU HN 3.50 (# 195:10 Unique 2.12, 2.61 A)
&rst
ixpk= 195, nxpk= 10, iat= -1, 381, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 385, 386,
&end
#
# 25 LEU MDX 25 LEU HN 3.50 (# 196:10 Unique 3.51, 4.92 A)
&rst
ixpk= 196, nxpk= 10, iat= -1, 381, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 390, 391, 392, 394, 395, 396,
&end
#
# 25 LEU MDY 25 LEU HN 4.50 (# 197:10 Unique 3.51, 4.92 A)
&rst
ixpk= 197, nxpk= 10, iat= -1, 381, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 390, 391, 392, 394, 395, 396,
&end
#
# 25 LEU HB+ 25 LEU HN 2.80 (# 198:10 Unique 2.12, 2.61 A)
&rst
ixpk= 198, nxpk= 10, iat= -1, 381, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 385, 386,
&end
#
# 24 PRO HB+ 25 LEU HN 5.50 (# 199:10 Unique 3.77, 4.14 A)
&rst
ixpk= 199, nxpk= 10, iat= -1, 381, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 374, 375,
&end
#
# 25 LEU HA 25 LEU HN 3.50 (# 200:10 Unique 2.86, 2.89 A)
&rst
ixpk= 200, nxpk= 10, iat= 383, 381, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 24 PRO HA 25 LEU HN 4.50 (# 201:10 Unique 3.28, 3.37 A)
&rst
ixpk= 201, nxpk= 10, iat= 377, 381, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 22 LEU HA 25 LEU HN 4.50 (# 202:10 Unique 3.21, 3.26 A)
&rst
ixpk= 202, nxpk= 10, iat= 333, 381, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 28 GLN HN 26 PHE HN 4.50 (# 206:10 Unique 4.20, 4.50 A)
&rst
ixpk= 206, nxpk= 10, iat= 435, 400, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:207 26 PHE HN 5.50 (# 207:10 Single Ambig)
&rst
ixpk= 207, nxpk= 10, iat= -1, 400, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 352, 333,
&end
#
# 26 PHE HB- 26 PHE HN 3.50 (# 209:10 Unique 2.11, 2.80 A)
&rst
ixpk= 209, nxpk= 10, iat= -1, 400, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 404, 405,
&end
#
# 26 PHE HA 26 PHE HN 4.50 (# 210:10 Unique 2.76, 2.78 A)
&rst
ixpk= 210, nxpk= 10, iat= 402, 400, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:212 26 PHE HN 4.50 (# 212:10 Single Ambig)
&rst
ixpk= 212, nxpk= 10, iat= -1, 400, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 427, 428, 439, 440, 442, 443, 371, 372,
&end
#
# 0 AMB 10-2:214 26 PHE HN 3.50 (# 214:10 Single Ambig)
&rst
ixpk= 214, nxpk= 10, iat= -1, 400, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 385, 386, 335, 336,
&end
#
# 25 LEU MDY 26 PHE HN 5.50 (# 215:10 Unique 4.21, 5.40 A)
&rst
ixpk= 215, nxpk= 10, iat= -1, 400, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 390, 391, 392, 394, 395, 396,
&end
#
# 25 LEU HB- 26 PHE HN 4.50 (# 217:10 Unique 2.11, 2.75 A)
&rst
ixpk= 217, nxpk= 10, iat= -1, 400, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 385, 386,
&end
#
# 0 AMB 10-2:219 27 GLU HN 5.50 (# 219:10 Single Ambig)
&rst
ixpk= 219, nxpk= 10, iat= -1, 420, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 385, 386, 374, 375, 388,
&end
#
# 27 GLU HB- 27 GLU HN 3.50 (# 220:10 Unique 2.25, 2.98 A)
&rst
ixpk= 220, nxpk= 10, iat= -1, 420, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 424, 425,
&end
#
# 27 GLU HG+ 27 GLU HN 3.50 (# 221:10 Unique 2.13, 2.96 A)
&rst
ixpk= 221, nxpk= 10, iat= -1, 420, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 427, 428,
&end
#
# 27 GLU HG- 27 GLU HN 2.80 (# 222:10 Unique 2.13, 2.96 A)
&rst
ixpk= 222, nxpk= 10, iat= -1, 420, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 427, 428,
&end
#
# 26 PHE HB- 27 GLU HN 4.50 (# 223:10 Unique 2.77, 3.09 A)
&rst
ixpk= 223, nxpk= 10, iat= -1, 420, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 404, 405,
&end
#
# 26 PHE HA 27 GLU HN 5.50 (# 224:10 Unique 3.50, 3.53 A)
&rst
ixpk= 224, nxpk= 10, iat= 402, 420, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 27 GLU HA 27 GLU HN 3.50 (# 225:10 Unique 2.72, 2.74 A)
&rst
ixpk= 225, nxpk= 10, iat= 422, 420, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 24 PRO HA 27 GLU HN 5.50 (# 226:10 Unique 3.53, 3.82 A)
&rst
ixpk= 226, nxpk= 10, iat= 377, 420, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 28 GLN HN 27 GLU HN 3.50 (# 227:10 Unique 2.85, 2.92 A)
&rst
ixpk= 227, nxpk= 10, iat= 435, 420, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 28 GLN HA 27 GLU HN 5.50 (# 228:10 Unique 5.43, 5.48 A)
&rst
ixpk= 228, nxpk= 10, iat= 437, 420, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 29 PHE HN 28 GLN HN 3.50 (# 229:10 Unique 2.43, 2.51 A)
&rst
ixpk= 229, nxpk= 10, iat= 452, 435, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 27 GLU HN 28 GLN HN 3.50 (# 230:10 Unique 2.85, 2.92 A)
&rst
ixpk= 230, nxpk= 10, iat= 420, 435, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 27 GLU HA 28 GLN HN 4.50 (# 231:10 Unique 3.52, 3.55 A)
&rst
ixpk= 231, nxpk= 10, iat= 422, 435, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 25 LEU HA 28 GLN HN 4.50 (# 232:10 Unique 3.70, 3.82 A)
&rst
ixpk= 232, nxpk= 10, iat= 383, 435, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 28 GLN HA 28 GLN HN 3.50 (# 233:10 Unique 2.83, 2.85 A)
&rst
ixpk= 233, nxpk= 10, iat= 437, 435, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 28 GLN HG+ 28 GLN HN 3.50 (# 234:10 Unique 2.03, 3.15 A)
&rst
ixpk= 234, nxpk= 10, iat= -1, 435, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 442, 443,
&end
#
# 0 AMB 10-2:235 28 GLN HN 2.80 (# 235:10 Single Ambig)
&rst
ixpk= 235, nxpk= 10, iat= -1, 435, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 427, 428, 442, 443, 439, 440,
&end
#
# 0 AMB 10-2:236 28 GLN HN 5.50 (# 236:10 Single Ambig)
&rst
ixpk= 236, nxpk= 10, iat= -1, 435, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 476, 477, 371, 372,
&end
#
# 30 GLU HN 29 PHE HN 3.50 (# 240:10 Unique 2.74, 2.79 A)
&rst
ixpk= 240, nxpk= 10, iat= 472, 452, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 28 GLN HN 29 PHE HN 3.50 (# 241:10 Unique 2.43, 2.51 A)
&rst
ixpk= 241, nxpk= 10, iat= 435, 452, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 26 PHE HD 29 PHE HN 4.50 (# 242:10 Unique 4.29, 5.89 A)
&rst
ixpk= 242, nxpk= 10, iat= -1, 452, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 408, 416,
&end
#
# 29 PHE HA 29 PHE HN 4.50 (# 243:10 Unique 2.77, 2.78 A)
&rst
ixpk= 243, nxpk= 10, iat= 454, 452, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 26 PHE HA 29 PHE HN 4.50 (# 244:10 Unique 3.02, 3.11 A)
&rst
ixpk= 244, nxpk= 10, iat= 402, 452, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 28 GLN HA 29 PHE HN 4.50 (# 245:10 Unique 3.49, 3.51 A)
&rst
ixpk= 245, nxpk= 10, iat= 437, 452, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 29 PHE HB- 29 PHE HN 4.50 (# 247:10 Unique 2.11, 2.69 A)
&rst
ixpk= 247, nxpk= 10, iat= -1, 452, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 456, 457,
&end
#
# 11 LEU MDY 29 PHE HN 6.50 (# 248:10 Unique 5.49, 7.44 A)
&rst
ixpk= 248, nxpk= 10, iat= -1, 452, r1= 0.00, r2= 1.80, r3= 8.76, r4= 9.51,
igr1= 174, 175, 176, 178, 179, 180,
&end
#
# 0 AMB 10-2:251 29 PHE HN 4.50 (# 251:10 Single Ambig)
&rst
ixpk= 251, nxpk= 10, iat= -1, 452, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 442, 443, 439, 440,
&end
#
# 28 GLN HG+ 29 PHE HN 5.50 (# 252:10 Unique 2.13, 4.12 A)
&rst
ixpk= 252, nxpk= 10, iat= -1, 452, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 442, 443,
&end
#
# 11 LEU MDX 30 GLU HN 5.50 (# 253:10 Unique 3.26, 5.19 A)
&rst
ixpk= 253, nxpk= 10, iat= -1, 472, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 174, 175, 176, 178, 179, 180,
&end
#
# 11 LEU MDY 30 GLU HN 4.50 (# 254:10 Unique 3.26, 5.19 A)
&rst
ixpk= 254, nxpk= 10, iat= -1, 472, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 174, 175, 176, 178, 179, 180,
&end
#
# 0 AMB 10-2:255 30 GLU HN 5.50 (# 255:10 Single Ambig)
&rst
ixpk= 255, nxpk= 10, iat= -1, 472, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
igr1= 494, 495, 691, 692, 693, 695, 696, 697, 497, 498,
&end
#
# 30 GLU HB+ 30 GLU HN 2.80 (# 256:10 Unique 2.12, 2.61 A)
&rst
ixpk= 256, nxpk= 10, iat= -1, 472, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 476, 477,
&end
#
# 0 AMB 10-2:257 30 GLU HN 4.50 (# 257:10 Single Ambig)
&rst
ixpk= 257, nxpk= 10, iat= -1, 472, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 479, 480, 686, 687,
&end
#
# 30 GLU HG+ 30 GLU HN 4.50 (# 258:10 Unique 3.81, 4.24 A)
&rst
ixpk= 258, nxpk= 10, iat= -1, 472, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 479, 480,
&end
#
# 26 PHE HA 30 GLU HN 5.50 (# 261:10 Unique 4.02, 4.17 A)
&rst
ixpk= 261, nxpk= 10, iat= 402, 472, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 30 GLU HA 30 GLU HN 3.50 (# 262:10 Unique 2.84, 2.87 A)
&rst
ixpk= 262, nxpk= 10, iat= 474, 472, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 27 GLU HA 30 GLU HN 4.50 (# 263:10 Unique 3.75, 3.91 A)
&rst
ixpk= 263, nxpk= 10, iat= 422, 472, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 29 PHE HA 30 GLU HN 5.50 (# 264:10 Unique 3.53, 3.54 A)
&rst
ixpk= 264, nxpk= 10, iat= 454, 472, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 26 PHE HD 30 GLU HN 4.50 (# 265:10 Unique 4.22, 6.11 A)
&rst
ixpk= 265, nxpk= 10, iat= -1, 472, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 408, 416,
&end
#
# 31 LYS HN 30 GLU HN 3.50 (# 266:10 Unique 2.45, 2.56 A)
&rst
ixpk= 266, nxpk= 10, iat= 487, 472, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 29 PHE HN 30 GLU HN 4.50 (# 267:10 Unique 2.74, 2.79 A)
&rst
ixpk= 267, nxpk= 10, iat= 452, 472, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 32 PHE HN 31 LYS HN 3.50 (# 268:10 Unique 2.62, 2.70 A)
&rst
ixpk= 268, nxpk= 10, iat= 509, 487, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 48 PHE HN 47 LYS HN 4.50 (# 269:10 Unique 2.67, 2.93 A)
&rst
ixpk= 269, nxpk= 10, iat= 793, 771, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 30 GLU HN 31 LYS HN 3.50 (# 270:10 Unique 2.45, 2.56 A)
&rst
ixpk= 270, nxpk= 10, iat= 472, 487, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 31 LYS HA 31 LYS HN 3.50 (# 271:10 Unique 2.76, 2.78 A)
&rst
ixpk= 271, nxpk= 10, iat= 489, 487, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 30 GLU HA 31 LYS HN 4.50 (# 272:10 Unique 3.53, 3.55 A)
&rst
ixpk= 272, nxpk= 10, iat= 474, 487, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 28 GLN HA 31 LYS HN 4.50 (# 273:10 Unique 3.29, 3.39 A)
&rst
ixpk= 273, nxpk= 10, iat= 437, 487, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 30 GLU HB+ 31 LYS HN 2.80 (# 274:10 Unique 2.40, 3.38 A)
&rst
ixpk= 274, nxpk= 10, iat= -1, 487, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 476, 477,
&end
#
# 47 LYS HB+ 47 LYS HN 3.50 (# 275:10 Unique 2.06, 2.77 A)
&rst
ixpk= 275, nxpk= 10, iat= -1, 771, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 775, 776,
&end
#
# 30 GLU HG+ 31 LYS HN 5.50 (# 276:10 Unique 2.55, 3.35 A)
&rst
ixpk= 276, nxpk= 10, iat= -1, 487, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 479, 480,
&end
#
# 0 AMB 10-2:277 86 LEU HN 4.50 (# 277:10 Single Ambig)
&rst
ixpk= 277, nxpk= 10, iat= -1,1438, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1464,1465,1402,1403, 975, 976,
&end
#
# 0 AMB 10-2:278 31 LYS HN 3.50 (# 278:10 Single Ambig)
&rst
ixpk= 278, nxpk= 10, iat= -1, 487, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 491, 492, 494, 495,
&end
#
# 46 THR MG2 47 LYS HN 4.50 (# 279:10 Unique 2.28, 3.45 A)
&rst
ixpk= 279, nxpk= 10, iat= -1, 771, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 763, 764, 765,
&end
#
# 31 LYS HB+ 31 LYS HN 2.80 (# 280:10 Unique 2.15, 2.65 A)
&rst
ixpk= 280, nxpk= 10, iat= -1, 487, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 491, 492,
&end
#
# 31 LYS HG- 31 LYS HN 4.50 (# 281:10 Unique 2.90, 4.06 A)
&rst
ixpk= 281, nxpk= 10, iat= -1, 487, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 494, 495,
&end
#
# 31 LYS HG- 32 PHE HN 5.50 (# 282:10 Unique 2.21, 4.04 A)
&rst
ixpk= 282, nxpk= 10, iat= -1, 509, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 494, 495,
&end
#
# 31 LYS HB- 32 PHE HN 3.50 (# 283:10 Unique 2.78, 3.79 A)
&rst
ixpk= 283, nxpk= 10, iat= -1, 509, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 491, 492,
&end
#
# 31 LYS HD+ 32 PHE HN 3.50 (# 284:10 Unique 2.83, 3.73 A)
&rst
ixpk= 284, nxpk= 10, iat= -1, 509, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 497, 498,
&end
#
# 28 GLN HA 32 PHE HN 5.50 (# 291:10 Unique 3.79, 3.93 A)
&rst
ixpk= 291, nxpk= 10, iat= 437, 509, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 32 PHE HA 32 PHE HN 4.50 (# 292:10 Unique 2.86, 2.90 A)
&rst
ixpk= 292, nxpk= 10, iat= 511, 509, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 31 LYS HA 32 PHE HN 4.50 (# 293:10 Unique 3.44, 3.46 A)
&rst
ixpk= 293, nxpk= 10, iat= 489, 509, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 30 GLU HA 32 PHE HN 5.50 (# 294:10 Unique 3.81, 3.89 A)
&rst
ixpk= 294, nxpk= 10, iat= 474, 509, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 30 GLU HN 32 PHE HN 5.50 (# 296:10 Unique 3.72, 3.82 A)
&rst
ixpk= 296, nxpk= 10, iat= 472, 509, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 31 LYS HN 32 PHE HN 3.50 (# 297:10 Unique 2.62, 2.70 A)
&rst
ixpk= 297, nxpk= 10, iat= 487, 509, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 33 TYR HN 32 PHE HN 3.50 (# 298:10 Unique 2.31, 2.47 A)
&rst
ixpk= 298, nxpk= 10, iat= 529, 509, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 32 PHE HN 33 TYR HN 4.50 (# 299:10 Unique 2.31, 2.47 A)
&rst
ixpk= 299, nxpk= 10, iat= 509, 529, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 31 LYS HN 33 TYR HN 4.50 (# 300:10 Unique 4.35, 4.50 A)
&rst
ixpk= 300, nxpk= 10, iat= 487, 529, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 33 TYR HD 33 TYR HN 5.50 (# 301:10 Unique 3.64, 4.66 A)
&rst
ixpk= 301, nxpk= 10, iat= -1, 529, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 537, 546,
&end
#
# 0 AMB 10-2:303 33 TYR HN 3.50 (# 303:10 Single Ambig)
&rst
ixpk= 303, nxpk= 10, iat= -1, 529, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 531, 474,
&end
#
# 33 TYR HB+ 33 TYR HN 3.50 (# 304:10 Unique 2.07, 2.55 A)
&rst
ixpk= 304, nxpk= 10, iat= -1, 529, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 533, 534,
&end
#
# 48 PHE HB- 48 PHE HN 4.50 (# 305:10 Unique 2.07, 2.89 A)
&rst
ixpk= 305, nxpk= 10, iat= -1, 793, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 797, 798,
&end
#
# 47 LYS HB- 48 PHE HN 4.50 (# 309:10 Unique 2.00, 3.00 A)
&rst
ixpk= 309, nxpk= 10, iat= -1, 793, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 775, 776,
&end
#
# 0 AMB 10-2:311 33 TYR HN 3.50 (# 311:10 Single Ambig)
&rst
ixpk= 311, nxpk= 10, iat= -1, 529, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 691, 692, 693, 695, 696, 697, 497, 498,
&end
#
# 41 LEU MDY 33 TYR HN 4.50 (# 312:10 Unique 3.68, 5.00 A)
&rst
ixpk= 312, nxpk= 10, iat= -1, 529, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 691, 692, 693, 695, 696, 697,
&end
#
# 35 GLU HN 34 GLU HN 3.50 (# 313:10 Unique 2.32, 2.60 A)
&rst
ixpk= 313, nxpk= 10, iat= 565, 550, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 33 TYR HD 34 GLU HN 4.50 (# 314:10 Unique 2.83, 4.48 A)
&rst
ixpk= 314, nxpk= 10, iat= -1, 550, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 537, 546,
&end
#
# 35 GLU HA 34 GLU HN 5.50 (# 317:10 Unique 4.99, 5.22 A)
&rst
ixpk= 317, nxpk= 10, iat= 567, 550, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:318 34 GLU HN 3.50 (# 318:10 Single Ambig)
&rst
ixpk= 318, nxpk= 10, iat= -1, 550, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 552, 531, 474,
&end
#
# 33 TYR HB+ 34 GLU HN 4.50 (# 319:10 Unique 2.68, 3.58 A)
&rst
ixpk= 319, nxpk= 10, iat= -1, 550, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 533, 534,
&end
#
# 33 TYR HB- 34 GLU HN 4.50 (# 320:10 Unique 2.68, 3.58 A)
&rst
ixpk= 320, nxpk= 10, iat= -1, 550, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 533, 534,
&end
#
# 34 GLU HG+ 34 GLU HN 4.50 (# 321:10 Unique 2.19, 3.09 A #push)
&rst
ixpk= 321, nxpk= 10, iat= -1, 550, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 557, 558,
&end
#
# 34 GLU HB+ 34 GLU HN 3.50 (# 322:10 Unique 2.12, 2.96 A)
&rst
ixpk= 322, nxpk= 10, iat= -1, 550, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 554, 555,
&end
#
# 34 GLU HB- 34 GLU HN 3.50 (# 323:10 Unique 2.12, 2.96 A)
&rst
ixpk= 323, nxpk= 10, iat= -1, 550, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 554, 555,
&end
#
# 35 GLU HB+ 34 GLU HN 5.50 (# 325:10 Unique 4.49, 5.46 A)
&rst
ixpk= 325, nxpk= 10, iat= -1, 550, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 569, 570,
&end
#
# 37 LEU MDY 35 GLU HN 5.50 (# 327:10 Unique 3.18, 5.80 A)
&rst
ixpk= 327, nxpk= 10, iat= -1, 565, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 611, 612, 613, 615, 616, 617,
&end
#
# 35 GLU HB+ 35 GLU HN 3.50 (# 329:10 Unique 2.29, 3.01 A)
&rst
ixpk= 329, nxpk= 10, iat= -1, 565, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 569, 570,
&end
#
# 35 GLU HG- 35 GLU HN 3.50 (# 330:10 Unique 2.05, 3.20 A)
&rst
ixpk= 330, nxpk= 10, iat= -1, 565, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 572, 573,
&end
#
# 35 GLU HG+ 35 GLU HN 3.50 (# 331:10 Unique 2.05, 3.20 A)
&rst
ixpk= 331, nxpk= 10, iat= -1, 565, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 572, 573,
&end
#
# 0 AMB 10-2:332 35 GLU HN 4.50 (# 332:10 Single Ambig)
&rst
ixpk= 332, nxpk= 10, iat= -1, 565, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 552, 531,
&end
#
# 35 GLU HA 35 GLU HN 3.50 (# 333:10 Unique 2.76, 2.89 A)
&rst
ixpk= 333, nxpk= 10, iat= 567, 565, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 36 LYS HN 35 GLU HN 3.50 (# 334:10 Unique 2.52, 2.96 A)
&rst
ixpk= 334, nxpk= 10, iat= 580, 565, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 34 GLU HN 35 GLU HN 3.50 (# 335:10 Unique 2.32, 2.60 A)
&rst
ixpk= 335, nxpk= 10, iat= 550, 565, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 35 GLU HN 36 LYS HN 3.50 (# 337:10 Unique 2.52, 2.96 A)
&rst
ixpk= 337, nxpk= 10, iat= 565, 580, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 37 LEU HN 36 LYS HN 3.50 (# 338:10 Unique 1.74, 2.72 A)
&rst
ixpk= 338, nxpk= 10, iat= 602, 580, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 35 GLU HA 36 LYS HN 4.50 (# 339:10 Unique 3.00, 3.41 A)
&rst
ixpk= 339, nxpk= 10, iat= 567, 580, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:340 36 LYS HN 4.50 (# 340:10 Single Ambig)
&rst
ixpk= 340, nxpk= 10, iat= -1, 580, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 552, 531,
&end
#
# 0 AMB 10-2:343 36 LYS HN 4.50 (# 343:10 Single Ambig)
&rst
ixpk= 343, nxpk= 10, iat= -1, 580, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 606, 607, 587, 588,
&end
#
# 36 LYS HA 36 LYS HN 3.50 (# 344:10 Unique 2.28, 2.65 A)
&rst
ixpk= 344, nxpk= 10, iat= 582, 580, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 35 GLU HG+ 36 LYS HN 4.50 (# 345:10 Unique 3.70, 4.45 A)
&rst
ixpk= 345, nxpk= 10, iat= -1, 580, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 572, 573,
&end
#
# 37 LEU MDY 36 LYS HN 5.50 (# 346:10 Unique 1.93, 4.58 A)
&rst
ixpk= 346, nxpk= 10, iat= -1, 580, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 611, 612, 613, 615, 616, 617,
&end
#
# 37 LEU MDX 37 LEU HN 3.50 (# 347:10 Unique 1.93, 4.13 A)
&rst
ixpk= 347, nxpk= 10, iat= -1, 602, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 611, 612, 613, 615, 616, 617,
&end
#
# 37 LEU MDY 37 LEU HN 3.50 (# 348:10 Unique 1.93, 4.13 A)
&rst
ixpk= 348, nxpk= 10, iat= -1, 602, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 611, 612, 613, 615, 616, 617,
&end
#
# 0 AMB 10-2:350 37 LEU HN 2.80 (# 350:10 Single Ambig)
&rst
ixpk= 350, nxpk= 10, iat= -1, 602, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 606, 607, 587, 588,
&end
#
# 37 LEU HG 37 LEU HN 4.50 (# 351:10 Unique 2.26, 3.40 A)
&rst
ixpk= 351, nxpk= 10, iat= 609, 602, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 36 LYS HA 37 LEU HN 3.50 (# 352:10 Unique 2.16, 2.73 A)
&rst
ixpk= 352, nxpk= 10, iat= 582, 602, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 40 GLN HG- 37 LEU HN 6.50 (# 353:10 Unique 5.52, 7.29 A)
&rst
ixpk= 353, nxpk= 10, iat= -1, 602, r1= 0.00, r2= 1.80, r3= 7.30, r4= 8.05,
igr1= 672, 673,
&end
#
# 37 LEU HA 37 LEU HN 3.50 (# 354:10 Unique 2.28, 2.84 A)
&rst
ixpk= 354, nxpk= 10, iat= 604, 602, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 32 PHE HA 37 LEU HN 6.50 (# 355:10 Unique 4.11, 5.45 A)
&rst
ixpk= 355, nxpk= 10, iat= 511, 602, r1= 0.00, r2= 1.80, r3= 6.50, r4= 7.25, &end
#
# 38 TRP HN 37 LEU HN 5.50 (# 356:10 Unique 2.11, 3.63 A)
&rst
ixpk= 356, nxpk= 10, iat= 621, 602, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 36 LYS HN 37 LEU HN 3.50 (# 358:10 Unique 1.74, 2.72 A)
&rst
ixpk= 358, nxpk= 10, iat= 580, 602, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 37 LEU MDX 38 TRP HN 3.50 (# 359:10 Unique 2.61, 4.63 A)
&rst
ixpk= 359, nxpk= 10, iat= -1, 621, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 611, 612, 613, 615, 616, 617,
&end
#
# 37 LEU MDY 38 TRP HN 5.50 (# 360:10 Unique 2.61, 4.63 A)
&rst
ixpk= 360, nxpk= 10, iat= -1, 621, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 611, 612, 613, 615, 616, 617,
&end
#
# 73 ILE QG2 38 TRP HN 5.50 (# 361:10 Unique 4.75, 6.32 A)
&rst
ixpk= 361, nxpk= 10, iat= -1, 621, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1230,1231,1232,
&end
#
# 0 AMB 10-2:362 38 TRP HN 4.50 (# 362:10 Single Ambig)
&rst
ixpk= 362, nxpk= 10, iat= -1, 621, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 606, 607, 686, 687,
&end
#
# 36 LYS HA 38 TRP HN 5.50 (# 363:10 Unique 4.00, 5.12 A)
&rst
ixpk= 363, nxpk= 10, iat= 582, 621, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 38 TRP HB+ 38 TRP HN 3.50 (# 364:10 Unique 2.49, 3.46 A)
&rst
ixpk= 364, nxpk= 10, iat= -1, 621, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 625, 626,
&end
#
# 38 TRP HB- 38 TRP HN 4.50 (# 365:10 Unique 2.49, 3.46 A)
&rst
ixpk= 365, nxpk= 10, iat= -1, 621, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 625, 626,
&end
#
# 38 TRP HA 38 TRP HN 3.50 (# 366:10 Unique 2.28, 2.68 A)
&rst
ixpk= 366, nxpk= 10, iat= 623, 621, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 37 LEU HA 38 TRP HN 3.50 (# 367:10 Unique 2.14, 2.73 A)
&rst
ixpk= 367, nxpk= 10, iat= 604, 621, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 38 TRP HD1 38 TRP HN 4.50 (# 368:10 Unique 2.51, 4.06 A)
&rst
ixpk= 368, nxpk= 10, iat= 629, 621, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 37 LEU HN 38 TRP HN 4.50 (# 369:10 Unique 2.11, 3.63 A)
&rst
ixpk= 369, nxpk= 10, iat= 602, 621, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 38 TRP HE3 38 TRP HN 5.50 (# 370:10 Unique 3.60, 4.22 A)
&rst
ixpk= 370, nxpk= 10, iat= 640, 621, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 39 PHE HB- 39 PHE HN 4.50 (# 371:10 Unique 2.07, 2.86 A)
&rst
ixpk= 371, nxpk= 10, iat= -1, 645, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 649, 650,
&end
#
# 39 PHE HB+ 39 PHE HN 4.50 (# 372:10 Unique 2.07, 2.86 A)
&rst
ixpk= 372, nxpk= 10, iat= -1, 645, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 649, 650,
&end
#
# 39 PHE HA 39 PHE HN 5.50 (# 373:10 Unique 2.71, 2.76 A)
&rst
ixpk= 373, nxpk= 10, iat= 647, 645, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 38 TRP HN 39 PHE HN 5.50 (# 374:10 Unique 1.85, 2.83 A)
&rst
ixpk= 374, nxpk= 10, iat= 621, 645, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 40 GLN HN 39 PHE HN 5.50 (# 375:10 Unique 2.86, 3.06 A)
&rst
ixpk= 375, nxpk= 10, iat= 665, 645, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 40 GLN HA 40 GLN HN 4.50 (# 376:10 Unique 2.74, 2.77 A)
&rst
ixpk= 376, nxpk= 10, iat= 667, 665, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 40 GLN HB- 40 GLN HN 4.50 (# 378:10 Unique 2.33, 3.15 A)
&rst
ixpk= 378, nxpk= 10, iat= -1, 665, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 669, 670,
&end
#
# 37 LEU HA 40 GLN HN 4.50 (# 379:10 Unique 4.35, 4.86 A)
&rst
ixpk= 379, nxpk= 10, iat= 604, 665, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 41 LEU MDY 41 LEU HN 4.50 (# 381:10 Unique 4.16, 5.12 A)
&rst
ixpk= 381, nxpk= 10, iat= -1, 682, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 691, 692, 693, 695, 696, 697,
&end
#
# 40 GLN HB- 41 LEU HN 4.50 (# 382:10 Unique 2.40, 3.24 A)
&rst
ixpk= 382, nxpk= 10, iat= -1, 682, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 669, 670,
&end
#
# 41 LEU MDX 41 LEU HN 4.50 (# 383:10 Unique 4.16, 5.12 A)
&rst
ixpk= 383, nxpk= 10, iat= -1, 682, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 691, 692, 693, 695, 696, 697,
&end
#
# 0 AMB 10-2:384 41 LEU HN 4.50 (# 384:10 Single Ambig)
&rst
ixpk= 384, nxpk= 10, iat= -1, 682, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 686, 687, 606, 607,
&end
#
# 41 LEU HG 41 LEU HN 5.50 (# 385:10 Unique 3.70, 3.95 A)
&rst
ixpk= 385, nxpk= 10, iat= 689, 682, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 41 LEU HB- 41 LEU HN 3.50 (# 386:10 Unique 2.04, 2.58 A)
&rst
ixpk= 386, nxpk= 10, iat= -1, 682, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 686, 687,
&end
#
# 0 AMB 10-2:388 41 LEU HN 3.50 (# 388:10 Single Ambig)
&rst
ixpk= 388, nxpk= 10, iat= -1, 682, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 684, 647,
&end
#
# 0 AMB 10-2:389 41 LEU HN 5.50 (# 389:10 Single Ambig)
&rst
ixpk= 389, nxpk= 10, iat= -1, 682, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 640, 460, 468,
&end
#
# 43 GLU HN 42 SER HN 4.50 (# 390:10 Unique 2.62, 2.73 A)
&rst
ixpk= 390, nxpk= 10, iat= 712, 701, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 42 SER HA 42 SER HN 4.50 (# 391:10 Unique 2.80, 2.82 A)
&rst
ixpk= 391, nxpk= 10, iat= 703, 701, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 42 SER HB- 42 SER HN 3.50 (# 392:10 Unique 2.07, 2.63 A)
&rst
ixpk= 392, nxpk= 10, iat= -1, 701, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 705, 706,
&end
#
# 42 SER HB+ 42 SER HN 3.50 (# 393:10 Unique 2.07, 2.63 A)
&rst
ixpk= 393, nxpk= 10, iat= -1, 701, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 705, 706,
&end
#
# 0 AMB 10-2:394 42 SER HN 4.50 (# 394:10 Single Ambig)
&rst
ixpk= 394, nxpk= 10, iat= -1, 701, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 686, 687, 672, 673,
&end
#
# 43 GLU HG- 42 SER HN 5.50 (# 395:10 Unique 3.69, 4.47 A)
&rst
ixpk= 395, nxpk= 10, iat= -1, 701, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 719, 720,
&end
#
# 41 LEU HG 42 SER HN 6.50 (# 396:10 Unique 2.58, 2.78 A)
&rst
ixpk= 396, nxpk= 10, iat= 689, 701, r1= 0.00, r2= 1.80, r3= 6.50, r4= 7.25, &end
#
# 0 AMB 10-2:397 42 SER HN 4.50 (# 397:10 Single Ambig)
&rst
ixpk= 397, nxpk= 10, iat= -1, 701, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 691, 692, 693, 695, 696, 697, 763, 764, 765,
&end
#
# 73 ILE QG2 42 SER HN 5.50 (# 398:10 Unique 3.11, 4.35 A)
&rst
ixpk= 398, nxpk= 10, iat= -1, 701, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1230,1231,1232,
&end
#
# 0 AMB 10-2:399 42 SER HN 4.50 (# 399:10 Single Ambig)
&rst
ixpk= 399, nxpk= 10, iat= -1, 701, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1=1237,1238,1239,1206,1207,
&end
#
# 41 LEU MDY 42 SER HN 4.50 (# 400:10 Unique 4.05, 4.83 A)
&rst
ixpk= 400, nxpk= 10, iat= -1, 701, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 691, 692, 693, 695, 696, 697,
&end
#
# 43 GLU HG+ 43 GLU HN 3.50 (# 402:10 Unique 1.94, 2.40 A)
&rst
ixpk= 402, nxpk= 10, iat= -1, 712, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 719, 720,
&end
#
# 43 GLU HG- 43 GLU HN 3.50 (# 403:10 Unique 1.94, 2.40 A)
&rst
ixpk= 403, nxpk= 10, iat= -1, 712, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 719, 720,
&end
#
# 43 GLU HB+ 43 GLU HN 3.50 (# 404:10 Unique 2.56, 3.15 A)
&rst
ixpk= 404, nxpk= 10, iat= -1, 712, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 716, 717,
&end
#
# 40 GLN HA 43 GLU HN 4.50 (# 405:10 Unique 3.39, 3.57 A)
&rst
ixpk= 405, nxpk= 10, iat= 667, 712, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 42 SER HB- 43 GLU HN 4.50 (# 406:10 Unique 2.21, 3.30 A)
&rst
ixpk= 406, nxpk= 10, iat= -1, 712, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 705, 706,
&end
#
# 0 AMB 10-2:407 43 GLU HN 5.50 (# 407:10 Single Ambig)
&rst
ixpk= 407, nxpk= 10, iat= -1, 712, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 703, 761,
&end
#
# 44 SER HN 43 GLU HN 3.50 (# 409:10 Unique 2.63, 2.85 A)
&rst
ixpk= 409, nxpk= 10, iat= 727, 712, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:410 43 GLU HN 3.50 (# 410:10 Single Ambig)
&rst
ixpk= 410, nxpk= 10, iat= -1, 712, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 701, 682,
&end
#
# 45 LEU HN 43 GLU HN 5.50 (# 411:10 Unique 3.74, 4.10 A)
&rst
ixpk= 411, nxpk= 10, iat= 738, 712, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 45 LEU HN 44 SER HN 4.50 (# 412:10 Unique 2.46, 2.64 A)
&rst
ixpk= 412, nxpk= 10, iat= 738, 727, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 43 GLU HN 44 SER HN 3.50 (# 413:10 Unique 2.63, 2.85 A)
&rst
ixpk= 413, nxpk= 10, iat= 712, 727, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 44 SER HG 44 SER HN 5.50 (# 414:10 Unique 2.22, 3.56 A)
&rst
ixpk= 414, nxpk= 10, iat= 734, 727, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:415 44 SER HN 2.80 (# 415:10 Single Ambig)
&rst
ixpk= 415, nxpk= 10, iat= -1, 727, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 729, 684,
&end
#
# 43 GLU HB+ 44 SER HN 3.50 (# 418:10 Unique 2.10, 3.19 A)
&rst
ixpk= 418, nxpk= 10, iat= -1, 727, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 716, 717,
&end
#
# 43 GLU HG- 44 SER HN 3.50 (# 419:10 Unique 2.03, 3.68 A)
&rst
ixpk= 419, nxpk= 10, iat= -1, 727, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 719, 720,
&end
#
# 43 GLU HG+ 44 SER HN 5.50 (# 420:10 Unique 2.03, 3.68 A)
&rst
ixpk= 420, nxpk= 10, iat= -1, 727, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 719, 720,
&end
#
# 0 AMB 10-2:421 44 SER HN 4.50 (# 421:10 Single Ambig)
&rst
ixpk= 421, nxpk= 10, iat= -1, 727, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 763, 764, 765, 691, 692, 693, 695, 696, 697,
&end
#
# 44 SER HN 45 LEU HN 4.50 (# 422:10 Unique 2.46, 2.64 A)
&rst
ixpk= 422, nxpk= 10, iat= 727, 738, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:423 45 LEU HN 5.50 (# 423:10 Single Ambig)
&rst
ixpk= 423, nxpk= 10, iat= -1, 738, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 703, 761,
&end
#
# 45 LEU HA 45 LEU HN 5.50 (# 424:10 Unique 2.78, 2.84 A)
&rst
ixpk= 424, nxpk= 10, iat= 740, 738, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 44 SER HB+ 45 LEU HN 4.50 (# 426:10 Unique 2.09, 3.30 A)
&rst
ixpk= 426, nxpk= 10, iat= -1, 738, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 731, 732,
&end
#
# 0 AMB 10-2:427 45 LEU HN 4.50 (# 427:10 Single Ambig)
&rst
ixpk= 427, nxpk= 10, iat= -1, 738, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 729, 684,
&end
#
# 43 GLU HB+ 45 LEU HN 5.50 (# 429:10 Unique 4.49, 5.34 A)
&rst
ixpk= 429, nxpk= 10, iat= -1, 738, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 716, 717,
&end
#
# 45 LEU HG 45 LEU HN 4.50 (# 430:10 Unique 4.03, 4.38 A)
&rst
ixpk= 430, nxpk= 10, iat= 745, 738, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 45 LEU MDX 45 LEU HN 4.50 (# 432:10 Unique 2.22, 5.04 A)
&rst
ixpk= 432, nxpk= 10, iat= -1, 738, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 747, 748, 749, 751, 752, 753,
&end
#
# 45 LEU MDY 45 LEU HN 4.50 (# 433:10 Unique 2.22, 5.04 A)
&rst
ixpk= 433, nxpk= 10, iat= -1, 738, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 747, 748, 749, 751, 752, 753,
&end
#
# 26 PHE HE 45 LEU HN 6.50 (# 435:10 Unique 6.30, 8.67 A)
&rst
ixpk= 435, nxpk= 10, iat= -1, 738, r1= 0.00, r2= 1.80, r3= 7.30, r4= 8.05,
igr1= 410, 414,
&end
#
# 47 LYS HN 46 THR HN 4.50 (# 436:10 Unique 2.15, 2.31 A)
&rst
ixpk= 436, nxpk= 10, iat= 771, 757, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 46 THR HB 46 THR HN 4.50 (# 437:10 Unique 2.13, 2.57 A)
&rst
ixpk= 437, nxpk= 10, iat= 761, 757, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:438 46 THR HN 3.50 (# 438:10 Single Ambig)
&rst
ixpk= 438, nxpk= 10, iat= -1, 757, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 759, 731, 732,
&end
#
# 43 GLU HA 46 THR HN 4.50 (# 439:10 Unique 3.43, 3.61 A)
&rst
ixpk= 439, nxpk= 10, iat= 714, 757, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 46 THR MG2 46 THR HN 4.50 (# 440:10 Unique 1.94, 3.34 A)
&rst
ixpk= 440, nxpk= 10, iat= -1, 757, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 763, 764, 765,
&end
#
# 43 GLU HG+ 46 THR HN 5.50 (# 441:10 Unique 5.41, 6.12 A)
&rst
ixpk= 441, nxpk= 10, iat= -1, 757, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 719, 720,
&end
#
# 45 LEU MDY 46 THR HN 5.50 (# 442:10 Unique 2.66, 5.30 A)
&rst
ixpk= 442, nxpk= 10, iat= -1, 757, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 747, 748, 749, 751, 752, 753,
&end
#
# 46 THR HB 47 LYS HN 4.50 (# 443:10 Unique 2.65, 3.86 A)
&rst
ixpk= 443, nxpk= 10, iat= 761, 771, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 44 SER HA 47 LYS HN 5.50 (# 444:10 Unique 3.02, 3.31 A)
&rst
ixpk= 444, nxpk= 10, iat= 729, 771, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 47 LYS HG+ 47 LYS HN 3.50 (# 446:10 Unique 1.97, 3.62 A)
&rst
ixpk= 446, nxpk= 10, iat= -1, 771, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 778, 779,
&end
#
# 49 PHE HN 48 PHE HN 4.50 (# 447:10 Unique 2.42, 2.84 A)
&rst
ixpk= 447, nxpk= 10, iat= 813, 793, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 47 LYS HN 48 PHE HN 4.50 (# 448:10 Unique 2.67, 2.93 A)
&rst
ixpk= 448, nxpk= 10, iat= 771, 793, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 47 LYS HA 48 PHE HN 5.50 (# 449:10 Unique 3.42, 3.53 A)
&rst
ixpk= 449, nxpk= 10, iat= 773, 793, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 25 LEU MDY 48 PHE HN 5.50 (# 450:10 Unique 2.17, 4.88 A)
&rst
ixpk= 450, nxpk= 10, iat= -1, 793, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 390, 391, 392, 394, 395, 396,
&end
#
# 48 PHE HN 49 PHE HN 5.50 (# 451:10 Unique 2.42, 2.84 A)
&rst
ixpk= 451, nxpk= 10, iat= 793, 813, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 50 ASP HN 49 PHE HN 4.50 (# 452:10 Unique 1.89, 2.45 A)
&rst
ixpk= 452, nxpk= 10, iat= 833, 813, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:453 49 PHE HN 4.50 (# 453:10 Single Ambig)
&rst
ixpk= 453, nxpk= 10, iat= -1, 813, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 821, 829, 801, 809,
&end
#
# 49 PHE HA 49 PHE HN 4.50 (# 454:10 Unique 2.82, 2.89 A)
&rst
ixpk= 454, nxpk= 10, iat= 815, 813, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:455 49 PHE HN 3.50 (# 455:10 Single Ambig)
&rst
ixpk= 455, nxpk= 10, iat= -1, 813, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 817, 818, 797, 798,
&end
#
# 49 PHE HN 50 ASP HN 4.50 (# 457:10 Unique 1.89, 2.45 A)
&rst
ixpk= 457, nxpk= 10, iat= 813, 833, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:458 50 ASP HN 3.50 (# 458:10 Single Ambig)
&rst
ixpk= 458, nxpk= 10, iat= -1, 833, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 845, 821, 829,
&end
#
# 49 PHE HB+ 50 ASP HN 4.50 (# 462:10 Unique 2.62, 3.79 A)
&rst
ixpk= 462, nxpk= 10, iat= -1, 833, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 817, 818,
&end
#
# 50 ASP HB- 50 ASP HN 3.50 (# 463:10 Unique 2.07, 2.67 A)
&rst
ixpk= 463, nxpk= 10, iat= -1, 833, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 837, 838,
&end
#
# 50 ASP HB+ 50 ASP HN 3.50 (# 464:10 Unique 2.07, 2.67 A)
&rst
ixpk= 464, nxpk= 10, iat= -1, 833, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 837, 838,
&end
#
# 50 ASP HN 51 ASP HN 3.50 (# 465:10 Unique 2.00, 2.78 A)
&rst
ixpk= 465, nxpk= 10, iat= 833, 845, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 51 ASP HB- 51 ASP HN 3.50 (# 466:10 Unique 2.09, 2.94 A)
&rst
ixpk= 466, nxpk= 10, iat= -1, 845, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 849, 850,
&end
#
# 0 AMB 10-2:468 51 ASP HN 3.50 (# 468:10 Single Ambig)
&rst
ixpk= 468, nxpk= 10, iat= -1, 845, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 837, 838, 849, 850,
&end
#
# 50 ASP HB+ 51 ASP HN 4.50 (# 469:10 Unique 1.94, 3.18 A)
&rst
ixpk= 469, nxpk= 10, iat= -1, 845, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 837, 838,
&end
#
# 51 ASP HA 51 ASP HN 4.50 (# 470:10 Unique 2.79, 2.90 A)
&rst
ixpk= 470, nxpk= 10, iat= 847, 845, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 52 ALA MB 52 ALA HN 4.50 (# 472:10 Unique 2.29, 3.57 A)
&rst
ixpk= 472, nxpk= 10, iat= -1, 857, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 861, 862, 863,
&end
#
# 54 SER HN 53 LYS HN 4.50 (# 473:10 Unique 2.46, 2.95 A #push)
&rst
ixpk= 473, nxpk= 10, iat= 889, 867, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 52 ALA HA 53 LYS HN 5.50 (# 475:10 Unique 2.80, 3.11 A)
&rst
ixpk= 475, nxpk= 10, iat= 859, 867, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 53 LYS HE+ 53 LYS HN 5.50 (# 476:10 Unique 3.15, 4.51 A)
&rst
ixpk= 476, nxpk= 10, iat= -1, 867, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 880, 881,
&end
#
# 0 AMB 10-2:477 53 LYS HN 5.50 (# 477:10 Single Ambig)
&rst
ixpk= 477, nxpk= 10, iat= -1, 867, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 837, 838, 893, 894,
&end
#
# 53 LYS HB+ 53 LYS HN 3.50 (# 478:10 Unique 2.17, 2.99 A)
&rst
ixpk= 478, nxpk= 10, iat= -1, 867, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 871, 872,
&end
#
# 53 LYS HG+ 53 LYS HN 4.50 (# 479:10 Unique 2.12, 3.37 A #push)
&rst
ixpk= 479, nxpk= 10, iat= -1, 867, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 874, 875,
&end
#
# 22 LEU MDY 53 LYS HN 4.50 (# 480:10 Unique 4.58, 6.06 A)
&rst
ixpk= 480, nxpk= 10, iat= -1, 867, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 340, 341, 342, 344, 345, 346,
&end
#
# 53 LYS HN 54 SER HN 4.50 (# 481:10 Unique 2.46, 2.95 A)
&rst
ixpk= 481, nxpk= 10, iat= 867, 889, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 55 THR HN 54 SER HN 4.50 (# 482:10 Unique 1.90, 3.04 A)
&rst
ixpk= 482, nxpk= 10, iat= 900, 889, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 54 SER HG 54 SER HN 4.50 (# 483:10 Unique 2.49, 3.90 A)
&rst
ixpk= 483, nxpk= 10, iat= 896, 889, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 53 LYS HA 54 SER HN 4.50 (# 484:10 Unique 2.29, 3.35 A)
&rst
ixpk= 484, nxpk= 10, iat= 869, 889, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 54 SER HB- 54 SER HN 5.50 (# 486:10 Unique 2.66, 3.37 A)
&rst
ixpk= 486, nxpk= 10, iat= -1, 889, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 893, 894,
&end
#
# 54 SER HB+ 54 SER HN 4.50 (# 487:10 Unique 2.66, 3.37 A)
&rst
ixpk= 487, nxpk= 10, iat= -1, 889, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 893, 894,
&end
#
# 53 LYS HG+ 54 SER HN 4.50 (# 488:10 Unique 3.23, 4.88 A)
&rst
ixpk= 488, nxpk= 10, iat= -1, 889, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 874, 875,
&end
#
# 22 LEU MDX 54 SER HN 4.50 (# 490:10 Unique 2.72, 5.03 A)
&rst
ixpk= 490, nxpk= 10, iat= -1, 889, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 340, 341, 342, 344, 345, 346,
&end
#
# 54 SER HN 55 THR HN 3.50 (# 491:10 Unique 1.90, 3.04 A)
&rst
ixpk= 491, nxpk= 10, iat= 889, 900, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 55 THR HB 55 THR HN 4.50 (# 492:10 Unique 2.21, 2.35 A)
&rst
ixpk= 492, nxpk= 10, iat= 904, 900, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 56 PRO HD+ 55 THR HN 4.50 (# 493:10 Unique 1.80, 2.52 A)
&rst
ixpk= 493, nxpk= 10, iat= -1, 900, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 915, 916,
&end
#
# 55 THR HA 55 THR HN 3.50 (# 494:10 Unique 2.70, 2.81 A)
&rst
ixpk= 494, nxpk= 10, iat= 902, 900, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 55 THR MG2 55 THR HN 4.50 (# 495:10 Unique 4.02, 4.44 A)
&rst
ixpk= 495, nxpk= 10, iat= -1, 900, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 906, 907, 908,
&end
#
# 57 LEU MDY 57 LEU HN 4.50 (# 496:10 Unique 4.48, 5.31 A)
&rst
ixpk= 496, nxpk= 10, iat= -1, 928, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 937, 938, 939, 941, 942, 943,
&end
#
# 57 LEU MDX 57 LEU HN 4.50 (# 497:10 Unique 4.48, 5.31 A)
&rst
ixpk= 497, nxpk= 10, iat= -1, 928, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 937, 938, 939, 941, 942, 943,
&end
#
# 57 LEU HG 57 LEU HN 4.50 (# 498:10 Unique 4.13, 4.41 A)
&rst
ixpk= 498, nxpk= 10, iat= 935, 928, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:499 57 LEU HN 3.50 (# 499:10 Single Ambig)
&rst
ixpk= 499, nxpk= 10, iat= -1, 928, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 921, 922, 932, 933, 918, 919,
&end
#
# 0 AMB 10-2:500 57 LEU HN 3.50 (# 500:10 Single Ambig)
&rst
ixpk= 500, nxpk= 10, iat= -1, 928, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 932, 933, 918, 919,
&end
#
# 56 PRO HD- 57 LEU HN 4.50 (# 501:10 Unique 2.71, 3.73 A)
&rst
ixpk= 501, nxpk= 10, iat= -1, 928, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 915, 916,
&end
#
# 57 LEU HA 57 LEU HN 4.50 (# 503:10 Unique 2.29, 2.86 A)
&rst
ixpk= 503, nxpk= 10, iat= 930, 928, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 58 ARG HN 57 LEU HN 3.50 (# 505:10 Unique 1.97, 2.45 A)
&rst
ixpk= 505, nxpk= 10, iat= 947, 928, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 59 LEU HN 58 ARG HN 5.50 (# 507:10 Unique 2.28, 2.66 A)
&rst
ixpk= 507, nxpk= 10, iat= 971, 947, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 57 LEU HN 58 ARG HN 3.50 (# 508:10 Unique 1.97, 2.45 A)
&rst
ixpk= 508, nxpk= 10, iat= 928, 947, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 77 SER HA 78 VAL HN 4.50 (# 510:10 Unique 3.57, 3.57 A)
&rst
ixpk= 510, nxpk= 10, iat=1295,1304, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 58 ARG HA 58 ARG HN 4.50 (# 511:10 Unique 2.74, 2.80 A)
&rst
ixpk= 511, nxpk= 10, iat= 949, 947, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 78 VAL HA 78 VAL HN 4.50 (# 513:10 Unique 2.74, 2.76 A)
&rst
ixpk= 513, nxpk= 10, iat=1306,1304, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 78 VAL HB 78 VAL HN 4.50 (# 514:10 Unique 2.73, 2.86 A)
&rst
ixpk= 514, nxpk= 10, iat=1308,1304, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 58 ARG HB- 58 ARG HN 6.50 (# 515:10 Unique 2.06, 2.74 A)
&rst
ixpk= 515, nxpk= 10, iat= -1, 947, r1= 0.00, r2= 1.80, r3= 7.30, r4= 8.05,
igr1= 951, 952,
&end
#
# 0 AMB 10-2:516 58 ARG HN 4.50 (# 516:10 Single Ambig)
&rst
ixpk= 516, nxpk= 10, iat= -1, 947, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 951, 952, 932, 933,
&end
#
# 78 VAL MGY 78 VAL HN 3.50 (# 519:10 Unique 1.73, 3.53 A)
&rst
ixpk= 519, nxpk= 10, iat= -1,1304, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1310,1311,1312,1314,1315,1316,
&end
#
# 60 ARG HN 59 LEU HN 4.50 (# 520:10 Unique 2.84, 2.99 A)
&rst
ixpk= 520, nxpk= 10, iat= 990, 971, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 58 ARG HN 59 LEU HN 5.50 (# 521:10 Unique 2.28, 2.66 A)
&rst
ixpk= 521, nxpk= 10, iat= 947, 971, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 59 LEU HB- 59 LEU HN 3.50 (# 522:10 Unique 2.05, 2.71 A)
&rst
ixpk= 522, nxpk= 10, iat= -1, 971, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 975, 976,
&end
#
# 59 LEU HB+ 59 LEU HN 3.50 (# 523:10 Unique 2.05, 2.71 A)
&rst
ixpk= 523, nxpk= 10, iat= -1, 971, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 975, 976,
&end
#
# 59 LEU MDY 59 LEU HN 5.50 (# 525:10 Unique 2.25, 4.92 A)
&rst
ixpk= 525, nxpk= 10, iat= -1, 971, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 980, 981, 982, 984, 985, 986,
&end
#
# 59 LEU MDX 59 LEU HN 5.50 (# 526:10 Unique 2.25, 4.92 A)
&rst
ixpk= 526, nxpk= 10, iat= -1, 971, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 980, 981, 982, 984, 985, 986,
&end
#
# 59 LEU HG 59 LEU HN 4.50 (# 528:10 Unique 2.42, 3.49 A)
&rst
ixpk= 528, nxpk= 10, iat= 978, 971, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 59 LEU HN 60 ARG HN 4.50 (# 529:10 Unique 2.84, 2.99 A)
&rst
ixpk= 529, nxpk= 10, iat= 971, 990, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:531 60 ARG HN 5.50 (# 531:10 Single Ambig)
&rst
ixpk= 531, nxpk= 10, iat= -1, 990, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1016,1035,
&end
#
# 60 ARG HB+ 60 ARG HN 2.80 (# 533:10 Unique 2.28, 3.02 A)
&rst
ixpk= 533, nxpk= 10, iat= -1, 990, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 994, 995,
&end
#
# 59 LEU HG 60 ARG HN 5.50 (# 534:10 Unique 4.38, 4.84 A)
&rst
ixpk= 534, nxpk= 10, iat= 978, 990, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 14 LEU MDX 60 ARG HN 4.50 (# 535:10 Unique 3.42, 4.95 A)
&rst
ixpk= 535, nxpk= 10, iat= -1, 990, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 218, 219, 220, 222, 223, 224,
&end
#
# 62 TYR HN 61 LEU HN 4.50 (# 536:10 Unique 2.50, 2.76 A)
&rst
ixpk= 536, nxpk= 10, iat=1033,1014, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 60 ARG HA 61 LEU HN 4.50 (# 537:10 Unique 3.50, 3.53 A)
&rst
ixpk= 537, nxpk= 10, iat= 992,1014, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 61 LEU HA 61 LEU HN 4.50 (# 538:10 Unique 2.79, 2.82 A)
&rst
ixpk= 538, nxpk= 10, iat=1016,1014, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 61 LEU HB+ 61 LEU HN 3.50 (# 539:10 Unique 2.04, 2.71 A)
&rst
ixpk= 539, nxpk= 10, iat= -1,1014, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1018,1019,
&end
#
# 61 LEU HG 61 LEU HN 5.50 (# 541:10 Unique 1.86, 3.65 A)
&rst
ixpk= 541, nxpk= 10, iat=1021,1014, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 61 LEU HB- 61 LEU HN 6.50 (# 542:10 Unique 2.04, 2.71 A)
&rst
ixpk= 542, nxpk= 10, iat= -1,1014, r1= 0.00, r2= 1.80, r3= 7.30, r4= 8.05,
igr1=1018,1019,
&end
#
# 0 AMB 10-2:543 61 LEU HN 3.50 (# 543:10 Single Ambig)
&rst
ixpk= 543, nxpk= 10, iat= -1,1014, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 218, 219, 220, 222, 223, 224, 218, 219, 220, 222,
223, 224,
&end
#
# 0 AMB 10-2:544 61 LEU HN 5.50 (# 544:10 Single Ambig)
&rst
ixpk= 544, nxpk= 10, iat= -1,1014, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1023,1024,1025,1027,1028,1029, 980, 981, 982, 984,
985, 986,
&end
#
# 61 LEU MDX 61 LEU HN 5.50 (# 545:10 Unique 3.09, 4.77 A)
&rst
ixpk= 545, nxpk= 10, iat= -1,1014, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1023,1024,1025,1027,1028,1029,
&end
#
# 61 LEU HN 62 TYR HN 4.50 (# 546:10 Unique 2.50, 2.76 A)
&rst
ixpk= 546, nxpk= 10, iat=1014,1033, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 63 ASP HN 62 TYR HN 4.50 (# 547:10 Unique 2.11, 2.67 A)
&rst
ixpk= 547, nxpk= 10, iat=1054,1033, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:548 62 TYR HN 5.50 (# 548:10 Single Ambig)
&rst
ixpk= 548, nxpk= 10, iat= -1,1033, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1041,1050,1088,1096,
&end
#
# 61 LEU HA 62 TYR HN 4.50 (# 549:10 Unique 3.42, 3.55 A)
&rst
ixpk= 549, nxpk= 10, iat=1016,1033, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 62 TYR HB- 62 TYR HN 4.50 (# 550:10 Unique 2.10, 2.58 A)
&rst
ixpk= 550, nxpk= 10, iat= -1,1033, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1037,1038,
&end
#
# 62 TYR HB+ 62 TYR HN 4.50 (# 551:10 Unique 2.10, 2.58 A)
&rst
ixpk= 551, nxpk= 10, iat= -1,1033, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1037,1038,
&end
#
# 61 LEU HB+ 62 TYR HN 5.50 (# 552:10 Unique 2.10, 2.95 A)
&rst
ixpk= 552, nxpk= 10, iat= -1,1033, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1018,1019,
&end
#
# 59 LEU MDY 62 TYR HN 5.50 (# 555:10 Unique 4.59, 6.87 A)
&rst
ixpk= 555, nxpk= 10, iat= -1,1033, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 980, 981, 982, 984, 985, 986,
&end
#
# 62 TYR HN 63 ASP HN 4.50 (# 556:10 Unique 2.11, 2.67 A)
&rst
ixpk= 556, nxpk= 10, iat=1033,1054, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 64 ASN HN 63 ASP HN 4.50 (# 557:10 Unique 2.41, 3.06 A)
&rst
ixpk= 557, nxpk= 10, iat=1066,1054, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:558 63 ASP HN 4.50 (# 558:10 Single Ambig)
&rst
ixpk= 558, nxpk= 10, iat= -1,1054, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1041,1050,1043,1048,
&end
#
# 63 ASP HA 63 ASP HN 4.50 (# 559:10 Unique 2.73, 2.75 A)
&rst
ixpk= 559, nxpk= 10, iat=1056,1054, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 60 ARG HA 63 ASP HN 4.50 (# 560:10 Unique 3.07, 3.64 A)
&rst
ixpk= 560, nxpk= 10, iat= 992,1054, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 62 TYR HA 63 ASP HN 5.50 (# 561:10 Unique 3.41, 3.46 A)
&rst
ixpk= 561, nxpk= 10, iat=1035,1054, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 63 ASP HB+ 63 ASP HN 3.50 (# 562:10 Unique 2.17, 2.56 A)
&rst
ixpk= 562, nxpk= 10, iat= -1,1054, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1058,1059,
&end
#
# 63 ASP HB- 63 ASP HN 3.50 (# 563:10 Unique 2.17, 2.56 A)
&rst
ixpk= 563, nxpk= 10, iat= -1,1054, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1058,1059,
&end
#
# 62 TYR HB- 63 ASP HN 4.50 (# 564:10 Unique 2.90, 3.70 A)
&rst
ixpk= 564, nxpk= 10, iat= -1,1054, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1037,1038,
&end
#
# 63 ASP HN 64 ASN HN 4.50 (# 565:10 Unique 2.41, 3.06 A)
&rst
ixpk= 565, nxpk= 10, iat=1054,1066, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 65 PHE HN 64 ASN HN 3.50 (# 566:10 Unique 2.64, 2.82 A)
&rst
ixpk= 566, nxpk= 10, iat=1080,1066, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 64 ASN HD2+ 64 ASN HN 5.50 (# 567:10 Unique 2.12, 3.55 A)
&rst
ixpk= 567, nxpk= 10, iat= -1,1066, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1075,1076,
&end
#
# 63 ASP HB- 64 ASN HN 4.50 (# 568:10 Unique 1.93, 2.79 A)
&rst
ixpk= 568, nxpk= 10, iat= -1,1066, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1058,1059,
&end
#
# 64 ASN HB- 64 ASN HN 3.50 (# 570:10 Unique 2.75, 3.42 A)
&rst
ixpk= 570, nxpk= 10, iat= -1,1066, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1070,1071,
&end
#
# 64 ASN HN 65 PHE HN 3.50 (# 572:10 Unique 2.64, 2.82 A)
&rst
ixpk= 572, nxpk= 10, iat=1066,1080, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 65 PHE HA 65 PHE HN 4.50 (# 574:10 Unique 2.86, 2.91 A)
&rst
ixpk= 574, nxpk= 10, iat=1082,1080, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 65 PHE HB+ 65 PHE HN 4.50 (# 575:10 Unique 2.92, 3.10 A)
&rst
ixpk= 575, nxpk= 10, iat= -1,1080, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1084,1085,
&end
#
# 0 AMB 10-2:576 65 PHE HN 3.50 (# 576:10 Single Ambig)
&rst
ixpk= 576, nxpk= 10, iat= -1,1080, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1084,1085,1058,1059,
&end
#
# 66 VAL MGX 65 PHE HN 5.50 (# 577:10 Unique 4.22, 5.87 A)
&rst
ixpk= 577, nxpk= 10, iat= -1,1080, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1106,1107,1108,1110,1111,1112,
&end
#
# 0 AMB 10-2:578 0 AMB 10-1:578 3.50 (# 578:10 Double Ambig)
&rst
ixpk= 578, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 159, 160, 161, 218, 219, 220, 222, 223, 224, 218,
219, 220, 222, 223, 224,
igr2=1080, 195,
&end
#
# 67 SER HN 66 VAL HN 5.50 (# 579:10 Unique 2.13, 2.36 A)
&rst
ixpk= 579, nxpk= 10, iat=1116,1100, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:580 66 VAL HN 3.50 (# 580:10 Single Ambig)
&rst
ixpk= 580, nxpk= 10, iat= -1,1100, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1088,1096,1041,1050,
&end
#
# 62 TYR HA 66 VAL HN 3.50 (# 581:10 Unique 2.05, 2.42 A)
&rst
ixpk= 581, nxpk= 10, iat=1035,1100, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 65 PHE HB+ 66 VAL HN 4.50 (# 582:10 Unique 1.98, 2.90 A)
&rst
ixpk= 582, nxpk= 10, iat= -1,1100, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1084,1085,
&end
#
# 65 PHE HB- 66 VAL HN 4.50 (# 583:10 Unique 1.98, 2.90 A)
&rst
ixpk= 583, nxpk= 10, iat= -1,1100, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1084,1085,
&end
#
# 66 VAL HA 66 VAL HN 5.50 (# 584:10 Unique 2.84, 2.89 A)
&rst
ixpk= 584, nxpk= 10, iat=1102,1100, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 66 VAL HB 66 VAL HN 4.50 (# 585:10 Unique 2.19, 2.50 A)
&rst
ixpk= 585, nxpk= 10, iat=1104,1100, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 66 VAL MGY 66 VAL HN 3.50 (# 586:10 Unique 2.14, 3.88 A)
&rst
ixpk= 586, nxpk= 10, iat= -1,1100, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1106,1107,1108,1110,1111,1112,
&end
#
# 66 VAL MGX 66 VAL HN 4.50 (# 587:10 Unique 2.14, 3.88 A)
&rst
ixpk= 587, nxpk= 10, iat= -1,1100, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1106,1107,1108,1110,1111,1112,
&end
#
# 66 VAL MGX 67 SER HN 5.50 (# 588:10 Unique 3.14, 4.84 A)
&rst
ixpk= 588, nxpk= 10, iat= -1,1116, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1106,1107,1108,1110,1111,1112,
&end
#
# 66 VAL MGY 67 SER HN 5.50 (# 589:10 Unique 3.14, 4.84 A)
&rst
ixpk= 589, nxpk= 10, iat= -1,1116, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1106,1107,1108,1110,1111,1112,
&end
#
# 67 SER HA 67 SER HN 4.50 (# 591:10 Unique 2.78, 2.80 A)
&rst
ixpk= 591, nxpk= 10, iat=1118,1116, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 67 SER HB- 67 SER HN 5.50 (# 592:10 Unique 2.07, 2.73 A)
&rst
ixpk= 592, nxpk= 10, iat= -1,1116, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1120,1121,
&end
#
# 66 VAL HN 67 SER HN 4.50 (# 593:10 Unique 2.13, 2.36 A)
&rst
ixpk= 593, nxpk= 10, iat=1100,1116, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 68 LYS HN 67 SER HN 4.50 (# 594:10 Unique 2.57, 2.71 A)
&rst
ixpk= 594, nxpk= 10, iat=1127,1116, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 68 LYS HD+ 68 LYS HN 6.50 (# 595:10 Unique 1.95, 3.63 A)
&rst
ixpk= 595, nxpk= 10, iat= -1,1127, r1= 0.00, r2= 1.80, r3= 7.30, r4= 8.05,
igr1=1137,1138,
&end
#
# 68 LYS HG- 68 LYS HN 4.50 (# 596:10 Unique 1.93, 2.79 A)
&rst
ixpk= 596, nxpk= 10, iat= -1,1127, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1134,1135,
&end
#
# 68 LYS HG+ 68 LYS HN 3.50 (# 597:10 Unique 1.93, 2.79 A)
&rst
ixpk= 597, nxpk= 10, iat= -1,1127, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1134,1135,
&end
#
# 68 LYS HD- 68 LYS HN 5.50 (# 598:10 Unique 1.95, 3.63 A)
&rst
ixpk= 598, nxpk= 10, iat= -1,1127, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1137,1138,
&end
#
# 68 LYS HB+ 68 LYS HN 3.50 (# 599:10 Unique 2.60, 3.37 A)
&rst
ixpk= 599, nxpk= 10, iat= -1,1127, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1131,1132,
&end
#
# 68 LYS HB- 68 LYS HN 5.50 (# 600:10 Unique 2.60, 3.37 A)
&rst
ixpk= 600, nxpk= 10, iat= -1,1127, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1131,1132,
&end
#
# 0 AMB 10-2:601 68 LYS HN 6.50 (# 601:10 Single Ambig)
&rst
ixpk= 601, nxpk= 10, iat= -1,1127, r1= 0.00, r2= 1.80, r3= 8.19, r4= 8.94,
igr1=1140,1141,1173,1174,
&end
#
# 68 LYS HA 68 LYS HN 3.50 (# 603:10 Unique 2.85, 2.93 A)
&rst
ixpk= 603, nxpk= 10, iat=1129,1127, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 67 SER HN 68 LYS HN 4.50 (# 605:10 Unique 2.57, 2.71 A)
&rst
ixpk= 605, nxpk= 10, iat=1116,1127, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 68 LYS HN 69 PHE HN 3.50 (# 607:10 Unique 2.24, 2.59 A)
&rst
ixpk= 607, nxpk= 10, iat=1127,1149, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 69 PHE HA 69 PHE HN 4.50 (# 610:10 Unique 2.87, 2.92 A)
&rst
ixpk= 610, nxpk= 10, iat=1151,1149, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 68 LYS HA 69 PHE HN 4.50 (# 611:10 Unique 2.89, 3.02 A)
&rst
ixpk= 611, nxpk= 10, iat=1129,1149, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 69 PHE HB- 69 PHE HN 4.50 (# 613:10 Unique 2.19, 2.97 A)
&rst
ixpk= 613, nxpk= 10, iat= -1,1149, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1153,1154,
&end
#
# 69 PHE HB+ 69 PHE HN 4.50 (# 614:10 Unique 2.19, 2.97 A)
&rst
ixpk= 614, nxpk= 10, iat= -1,1149, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1153,1154,
&end
#
# 68 LYS HB+ 69 PHE HN 4.50 (# 615:10 Unique 2.81, 4.37 A)
&rst
ixpk= 615, nxpk= 10, iat= -1,1149, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1131,1132,
&end
#
# 68 LYS HG+ 69 PHE HN 5.50 (# 616:10 Unique 1.95, 4.31 A)
&rst
ixpk= 616, nxpk= 10, iat= -1,1149, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1134,1135,
&end
#
# 68 LYS HG- 69 PHE HN 5.50 (# 617:10 Unique 1.95, 4.31 A)
&rst
ixpk= 617, nxpk= 10, iat= -1,1149, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1134,1135,
&end
#
# 71 ASP HN 70 TYR HN 5.50 (# 619:10 Unique 2.63, 3.78 A)
&rst
ixpk= 619, nxpk= 10, iat=1190,1169, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 69 PHE HN 70 TYR HN 3.50 (# 620:10 Unique 2.15, 2.39 A)
&rst
ixpk= 620, nxpk= 10, iat=1149,1169, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 70 TYR HD 70 TYR HN 4.50 (# 621:10 Unique 2.18, 3.31 A)
&rst
ixpk= 621, nxpk= 10, iat= -1,1169, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1177,1186,
&end
#
# 70 TYR HA 70 TYR HN 4.50 (# 623:10 Unique 2.31, 2.75 A)
&rst
ixpk= 623, nxpk= 10, iat=1171,1169, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:624 70 TYR HN 3.50 (# 624:10 Single Ambig)
&rst
ixpk= 624, nxpk= 10, iat= -1,1169, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1153,1154,1173,1174,
&end
#
# 70 TYR HB+ 70 TYR HN 3.50 (# 625:10 Unique 2.52, 3.18 A)
&rst
ixpk= 625, nxpk= 10, iat= -1,1169, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1173,1174,
&end
#
# 109 LEU MDX 71 ASP HN 5.50 (# 628:10 Unique 3.08, 6.53 A)
&rst
ixpk= 628, nxpk= 10, iat= -1,1190, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1828,1829,1830,1832,1833,1834,
&end
#
# 0 AMB 10-2:629 71 ASP HN 4.50 (# 629:10 Single Ambig)
&rst
ixpk= 629, nxpk= 10, iat= -1,1190, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1194,1195,1823,1824,
&end
#
# 71 ASP HA 71 ASP HN 3.50 (# 632:10 Unique 2.27, 2.60 A)
&rst
ixpk= 632, nxpk= 10, iat=1192,1190, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 73 ILE HN 71 ASP HN 5.50 (# 634:10 Unique 3.70, 4.18 A)
&rst
ixpk= 634, nxpk= 10, iat=1224,1190, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 72 LYS HN 71 ASP HN 3.50 (# 636:10 Unique 2.17, 2.79 A)
&rst
ixpk= 636, nxpk= 10, iat=1202,1190, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 71 ASP HN 72 LYS HN 3.50 (# 637:10 Unique 2.17, 2.79 A)
&rst
ixpk= 637, nxpk= 10, iat=1190,1202, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 73 ILE HN 72 LYS HN 3.50 (# 638:10 Unique 1.88, 2.14 A)
&rst
ixpk= 638, nxpk= 10, iat=1224,1202, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 72 LYS HA 72 LYS HN 4.50 (# 639:10 Unique 2.76, 2.90 A)
&rst
ixpk= 639, nxpk= 10, iat=1204,1202, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 71 ASP HA 72 LYS HN 4.50 (# 640:10 Unique 2.64, 3.11 A)
&rst
ixpk= 640, nxpk= 10, iat=1192,1202, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 72 LYS HG+ 72 LYS HN 5.50 (# 642:10 Unique 1.95, 3.81 A)
&rst
ixpk= 642, nxpk= 10, iat= -1,1202, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1209,1210,
&end
#
# 72 LYS HG- 72 LYS HN 4.50 (# 643:10 Unique 1.95, 3.81 A)
&rst
ixpk= 643, nxpk= 10, iat= -1,1202, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1209,1210,
&end
#
# 72 LYS HB+ 72 LYS HN 3.50 (# 644:10 Unique 2.09, 3.12 A)
&rst
ixpk= 644, nxpk= 10, iat= -1,1202, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1206,1207,
&end
#
# 72 LYS HD+ 72 LYS HN 4.50 (# 645:10 Unique 2.02, 4.24 A)
&rst
ixpk= 645, nxpk= 10, iat= -1,1202, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1212,1213,
&end
#
# 72 LYS HD- 72 LYS HN 4.50 (# 646:10 Unique 2.02, 4.24 A)
&rst
ixpk= 646, nxpk= 10, iat= -1,1202, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1212,1213,
&end
#
# 73 ILE QG2 72 LYS HN 5.50 (# 648:10 Unique 4.44, 5.87 A)
&rst
ixpk= 648, nxpk= 10, iat= -1,1202, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1230,1231,1232,
&end
#
# 72 LYS HD- 73 ILE HN 5.50 (# 649:10 Unique 4.15, 5.45 A)
&rst
ixpk= 649, nxpk= 10, iat= -1,1224, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1212,1213,
&end
#
# 72 LYS HG- 73 ILE HN 5.50 (# 650:10 Unique 3.84, 4.72 A)
&rst
ixpk= 650, nxpk= 10, iat= -1,1224, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1209,1210,
&end
#
# 73 ILE QD1 73 ILE HN 4.50 (# 651:10 Unique 4.37, 4.71 A)
&rst
ixpk= 651, nxpk= 10, iat= -1,1224, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1237,1238,1239,
&end
#
# 73 ILE QG2 73 ILE HN 3.50 (# 652:10 Unique 2.87, 4.11 A)
&rst
ixpk= 652, nxpk= 10, iat= -1,1224, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1230,1231,1232,
&end
#
# 73 ILE HG1+ 73 ILE HN 3.50 (# 653:10 Unique 2.17, 2.56 A)
&rst
ixpk= 653, nxpk= 10, iat= -1,1224, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1234,1235,
&end
#
# 73 ILE HG1- 73 ILE HN 4.50 (# 654:10 Unique 2.17, 2.56 A)
&rst
ixpk= 654, nxpk= 10, iat= -1,1224, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1234,1235,
&end
#
# 73 ILE HB 73 ILE HN 4.50 (# 655:10 Unique 3.65, 3.78 A)
&rst
ixpk= 655, nxpk= 10, iat=1228,1224, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 72 LYS HA 73 ILE HN 3.50 (# 656:10 Unique 3.33, 3.52 A)
&rst
ixpk= 656, nxpk= 10, iat=1204,1224, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 73 ILE HA 73 ILE HN 4.50 (# 657:10 Unique 2.92, 2.93 A)
&rst
ixpk= 657, nxpk= 10, iat=1226,1224, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 72 LYS HN 73 ILE HN 3.50 (# 658:10 Unique 1.88, 2.14 A)
&rst
ixpk= 658, nxpk= 10, iat=1202,1224, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 74 ASN HA 74 ASN HN 4.50 (# 659:10 Unique 2.78, 2.82 A)
&rst
ixpk= 659, nxpk= 10, iat=1245,1243, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 73 ILE HA 74 ASN HN 3.50 (# 660:10 Unique 2.61, 2.69 A)
&rst
ixpk= 660, nxpk= 10, iat=1226,1243, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 74 ASN HB+ 74 ASN HN 4.50 (# 661:10 Unique 2.07, 2.87 A)
&rst
ixpk= 661, nxpk= 10, iat= -1,1243, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1247,1248,
&end
#
# 74 ASN HB- 74 ASN HN 4.50 (# 662:10 Unique 2.07, 2.87 A)
&rst
ixpk= 662, nxpk= 10, iat= -1,1243, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1247,1248,
&end
#
# 73 ILE QG2 74 ASN HN 4.50 (# 664:10 Unique 3.34, 4.07 A)
&rst
ixpk= 664, nxpk= 10, iat= -1,1243, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1230,1231,1232,
&end
#
# 72 LYS HB+ 74 ASN HN 6.50 (# 665:10 Unique 5.56, 6.81 A)
&rst
ixpk= 665, nxpk= 10, iat= -1,1243, r1= 0.00, r2= 1.80, r3= 7.30, r4= 8.05,
igr1=1206,1207,
&end
#
# 76 LEU MDX 76 LEU HN 5.50 (# 666:10 Unique 1.95, 4.04 A)
&rst
ixpk= 666, nxpk= 10, iat= -1,1274, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1283,1284,1285,1287,1288,1289,
&end
#
# 76 LEU MDY 76 LEU HN 5.50 (# 668:10 Unique 1.95, 4.04 A)
&rst
ixpk= 668, nxpk= 10, iat= -1,1274, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1283,1284,1285,1287,1288,1289,
&end
#
# 76 LEU HB+ 76 LEU HN 6.50 (# 669:10 Unique 2.09, 3.04 A)
&rst
ixpk= 669, nxpk= 10, iat= -1,1274, r1= 0.00, r2= 1.80, r3= 7.30, r4= 8.05,
igr1=1278,1279,
&end
#
# 0 AMB 10-2:671 76 LEU HN 4.50 (# 671:10 Single Ambig)
&rst
ixpk= 671, nxpk= 10, iat= -1,1274, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1278,1279,1261,1262,
&end
#
# 77 SER HN 76 LEU HN 5.50 (# 672:10 Unique 2.51, 2.61 A)
&rst
ixpk= 672, nxpk= 10, iat=1293,1274, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 78 VAL HN 76 LEU HN 6.50 (# 673:10 Unique 4.44, 4.64 A)
&rst
ixpk= 673, nxpk= 10, iat=1304,1274, r1= 0.00, r2= 1.80, r3= 6.50, r4= 7.25, &end
#
# 76 LEU HN 77 SER HN 4.50 (# 674:10 Unique 2.51, 2.61 A)
&rst
ixpk= 674, nxpk= 10, iat=1274,1293, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 78 VAL HN 77 SER HN 3.50 (# 675:10 Unique 2.67, 2.72 A)
&rst
ixpk= 675, nxpk= 10, iat=1304,1293, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 77 SER HB+ 77 SER HN 4.50 (# 676:10 Unique 2.09, 2.74 A)
&rst
ixpk= 676, nxpk= 10, iat= -1,1293, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1297,1298,
&end
#
# 77 SER HA 77 SER HN 4.50 (# 677:10 Unique 2.84, 2.85 A)
&rst
ixpk= 677, nxpk= 10, iat=1295,1293, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 74 ASN HB+ 77 SER HN 5.50 (# 679:10 Unique 2.21, 2.97 A)
&rst
ixpk= 679, nxpk= 10, iat= -1,1293, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1247,1248,
&end
#
# 76 LEU HB- 77 SER HN 5.50 (# 680:10 Unique 2.85, 3.46 A)
&rst
ixpk= 680, nxpk= 10, iat= -1,1293, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1278,1279,
&end
#
# 79 VAL HN 78 VAL HN 3.50 (# 683:10 Unique 2.84, 2.90 A)
&rst
ixpk= 683, nxpk= 10, iat=1320,1304, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 77 SER HN 78 VAL HN 3.50 (# 684:10 Unique 2.67, 2.72 A)
&rst
ixpk= 684, nxpk= 10, iat=1293,1304, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:685 79 VAL HN 5.50 (# 685:10 Single Ambig)
&rst
ixpk= 685, nxpk= 10, iat= -1,1320, r1= 0.00, r2= 1.80, r3= 9.14, r4= 9.89,
igr1=1708,1709,1710,1712,1713,1714,2139,2140,2141,1665,
1666,1667,1669,1670,1671,1407,1408,1409,1411,1412,
1413,
&end
#
# 79 VAL MGY 79 VAL HN 3.50 (# 686:10 Unique 1.90, 3.02 A)
&rst
ixpk= 686, nxpk= 10, iat= -1,1320, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1326,1327,1328,1330,1331,1332,
&end
#
# 78 VAL MGY 79 VAL HN 3.50 (# 687:10 Unique 1.83, 3.32 A)
&rst
ixpk= 687, nxpk= 10, iat= -1,1320, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1310,1311,1312,1314,1315,1316,
&end
#
# 79 VAL MGX 79 VAL HN 3.50 (# 688:10 Unique 1.90, 3.02 A)
&rst
ixpk= 688, nxpk= 10, iat= -1,1320, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1326,1327,1328,1330,1331,1332,
&end
#
# 0 AMB 10-2:689 79 VAL HN 3.50 (# 689:10 Single Ambig)
&rst
ixpk= 689, nxpk= 10, iat= -1,1320, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1324,1264,1265,
&end
#
# 78 VAL HB 79 VAL HN 4.50 (# 690:10 Unique 3.40, 3.88 A)
&rst
ixpk= 690, nxpk= 10, iat=1308,1320, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 79 VAL HA 79 VAL HN 4.50 (# 691:10 Unique 2.79, 2.82 A)
&rst
ixpk= 691, nxpk= 10, iat=1322,1320, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 78 VAL HN 79 VAL HN 4.50 (# 693:10 Unique 2.84, 2.90 A)
&rst
ixpk= 693, nxpk= 10, iat=1304,1320, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 80 LYS HN 79 VAL HN 4.50 (# 694:10 Unique 2.61, 2.67 A)
&rst
ixpk= 694, nxpk= 10, iat=1336,1320, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 81 TYR HN 80 LYS HN 5.50 (# 695:10 Unique 2.75, 2.88 A)
&rst
ixpk= 695, nxpk= 10, iat=1358,1336, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 80 LYS HA 80 LYS HN 4.50 (# 697:10 Unique 2.76, 2.77 A)
&rst
ixpk= 697, nxpk= 10, iat=1338,1336, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 79 VAL HB 80 LYS HN 4.50 (# 698:10 Unique 3.53, 3.61 A)
&rst
ixpk= 698, nxpk= 10, iat=1324,1336, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 80 LYS HB- 80 LYS HN 4.50 (# 699:10 Unique 2.09, 2.70 A)
&rst
ixpk= 699, nxpk= 10, iat= -1,1336, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1340,1341,
&end
#
# 80 LYS HB+ 80 LYS HN 3.50 (# 700:10 Unique 2.09, 2.70 A)
&rst
ixpk= 700, nxpk= 10, iat= -1,1336, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1340,1341,
&end
#
# 80 LYS HG+ 80 LYS HN 4.50 (# 701:10 Unique 2.86, 3.87 A)
&rst
ixpk= 701, nxpk= 10, iat= -1,1336, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1343,1344,
&end
#
# 80 LYS HD- 80 LYS HN 6.50 (# 702:10 Unique 2.40, 4.75 A)
&rst
ixpk= 702, nxpk= 10, iat= -1,1336, r1= 0.00, r2= 1.80, r3= 7.30, r4= 8.05,
igr1=1346,1347,
&end
#
# 0 AMB 10-2:703 80 LYS HN 4.50 (# 703:10 Single Ambig)
&rst
ixpk= 703, nxpk= 10, iat= -1,1336, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1326,1327,1328,1330,1331,1332,1343,1344,
&end
#
# 79 VAL MGY 80 LYS HN 5.50 (# 704:10 Unique 1.93, 3.73 A)
&rst
ixpk= 704, nxpk= 10, iat= -1,1336, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1326,1327,1328,1330,1331,1332,
&end
#
# 80 LYS HN 81 TYR HN 4.50 (# 705:10 Unique 2.75, 2.88 A)
&rst
ixpk= 705, nxpk= 10, iat=1336,1358, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 81 TYR HD 81 TYR HN 5.50 (# 707:10 Unique 2.71, 3.52 A)
&rst
ixpk= 707, nxpk= 10, iat= -1,1358, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1366,1375,
&end
#
# 80 LYS HB+ 81 TYR HN 3.50 (# 709:10 Unique 2.13, 2.97 A)
&rst
ixpk= 709, nxpk= 10, iat= -1,1358, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1340,1341,
&end
#
# 0 AMB 10-2:712 0 AMB 10-1:712 4.50 (# 712:10 Double Ambig)
&rst
ixpk= 712, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 114, 115, 116,1407,1408,1409,1411,1412,1413,
igr2= 21,1358,
&end
#
# 84 ALA MB 84 ALA HN 3.50 (# 723:10 Unique 2.07, 2.88 A)
&rst
ixpk= 723, nxpk= 10, iat= -1,1417, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1421,1422,1423,
&end
#
# 84 ALA HA 84 ALA HN 3.50 (# 725:10 Unique 2.74, 2.78 A)
&rst
ixpk= 725, nxpk= 10, iat=1419,1417, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 85 SER HN 84 ALA HN 4.50 (# 726:10 Unique 2.65, 2.80 A)
&rst
ixpk= 726, nxpk= 10, iat=1427,1417, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 82 LEU MDX 85 SER HN 5.50 (# 727:10 Unique 4.50, 6.94 A)
&rst
ixpk= 727, nxpk= 10, iat= -1,1427, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1388,1389,1390,1392,1393,1394,
&end
#
# 0 AMB 10-2:728 85 SER HN 5.50 (# 728:10 Single Ambig)
&rst
ixpk= 728, nxpk= 10, iat= -1,1427, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1447,1448,1449,1451,1452,1453,1388,1389,1390,1392,
1393,1394,
&end
#
# 86 LEU MDX 85 SER HN 5.50 (# 729:10 Unique 4.20, 6.21 A)
&rst
ixpk= 729, nxpk= 10, iat= -1,1427, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1447,1448,1449,1451,1452,1453,
&end
#
# 84 ALA MB 85 SER HN 3.50 (# 731:10 Unique 2.36, 3.35 A)
&rst
ixpk= 731, nxpk= 10, iat= -1,1427, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1421,1422,1423,
&end
#
# 56 PRO HD- 85 SER HN 6.50 (# 733:10 Unique 6.07, 7.08 A)
&rst
ixpk= 733, nxpk= 10, iat= -1,1427, r1= 0.00, r2= 1.80, r3= 7.30, r4= 8.05,
igr1= 915, 916,
&end
#
# 0 AMB 10-2:734 85 SER HN 6.50 (# 734:10 Single Ambig)
&rst
ixpk= 734, nxpk= 10, iat= -1,1427, r1= 0.00, r2= 1.80, r3= 7.81, r4= 8.56,
igr1=1360, 915, 916,
&end
#
# 85 SER HA 85 SER HN 4.50 (# 736:10 Unique 2.78, 2.84 A)
&rst
ixpk= 736, nxpk= 10, iat=1429,1427, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:737 85 SER HN 3.50 (# 737:10 Single Ambig)
&rst
ixpk= 737, nxpk= 10, iat= -1,1427, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1419,1440,
&end
#
# 49 PHE HD 85 SER HN 5.50 (# 739:10 Unique 5.03, 6.51 A)
&rst
ixpk= 739, nxpk= 10, iat= -1,1427, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 821, 829,
&end
#
# 86 LEU HN 85 SER HN 4.50 (# 740:10 Unique 2.47, 2.61 A)
&rst
ixpk= 740, nxpk= 10, iat=1438,1427, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 84 ALA HN 85 SER HN 4.50 (# 741:10 Unique 2.65, 2.80 A)
&rst
ixpk= 741, nxpk= 10, iat=1417,1427, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 83 LEU HN 85 SER HN 5.50 (# 742:10 Unique 4.04, 4.20 A)
&rst
ixpk= 742, nxpk= 10, iat=1398,1427, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 86 LEU MDX 86 LEU HN 4.50 (# 743:10 Unique 2.12, 4.08 A)
&rst
ixpk= 743, nxpk= 10, iat= -1,1438, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1447,1448,1449,1451,1452,1453,
&end
#
# 0 AMB 10-2:744 86 LEU HN 4.50 (# 744:10 Single Ambig)
&rst
ixpk= 744, nxpk= 10, iat= -1,1438, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1447,1448,1449,1451,1452,1453,1388,1389,1390,1392,
1393,1394,
&end
#
# 86 LEU HB+ 86 LEU HN 3.50 (# 745:10 Unique 2.05, 2.75 A)
&rst
ixpk= 745, nxpk= 10, iat= -1,1438, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1442,1443,
&end
#
# 0 AMB 10-2:746 86 LEU HN 3.50 (# 746:10 Single Ambig)
&rst
ixpk= 746, nxpk= 10, iat= -1,1438, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1440,1419,
&end
#
# 87 LYS HN 86 LEU HN 4.50 (# 747:10 Unique 2.54, 2.66 A)
&rst
ixpk= 747, nxpk= 10, iat=1457,1438, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 85 SER HN 86 LEU HN 4.50 (# 748:10 Unique 2.47, 2.61 A)
&rst
ixpk= 748, nxpk= 10, iat=1427,1438, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 86 LEU MDX 87 LYS HN 5.50 (# 749:10 Unique 4.55, 5.61 A)
&rst
ixpk= 749, nxpk= 10, iat= -1,1457, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1447,1448,1449,1451,1452,1453,
&end
#
# 0 AMB 10-2:750 87 LYS HN 6.50 (# 750:10 Single Ambig)
&rst
ixpk= 750, nxpk= 10, iat= -1,1457, r1= 0.00, r2= 1.80, r3=11.04, r4=11.79,
igr1=1447,1448,1449,1451,1452,1453,1407,1408,1409,1411,
1412,1413,1388,1389,1390,1392,1393,1394,1665,1666,
1667,1669,1670,1671,
&end
#
# 87 LYS HG- 87 LYS HN 3.50 (# 751:10 Unique 2.30, 3.06 A)
&rst
ixpk= 751, nxpk= 10, iat= -1,1457, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1464,1465,
&end
#
# 0 AMB 10-2:752 87 LYS HN 4.50 (# 752:10 Single Ambig)
&rst
ixpk= 752, nxpk= 10, iat= -1,1457, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1467,1468,1442,1443,
&end
#
# 87 LYS HB+ 87 LYS HN 3.50 (# 754:10 Unique 2.15, 2.99 A)
&rst
ixpk= 754, nxpk= 10, iat= -1,1457, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1461,1462,
&end
#
# 87 LYS HA 87 LYS HN 3.50 (# 755:10 Unique 2.80, 2.86 A)
&rst
ixpk= 755, nxpk= 10, iat=1459,1457, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:756 87 LYS HN 4.50 (# 756:10 Single Ambig)
&rst
ixpk= 756, nxpk= 10, iat= -1,1457, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1440,1419,
&end
#
# 0 AMB 10-2:757 87 LYS HN 3.50 (# 757:10 Single Ambig)
&rst
ixpk= 757, nxpk= 10, iat= -1,1457, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1438,1491,
&end
#
# 85 SER HN 87 LYS HN 5.50 (# 758:10 Unique 3.76, 4.04 A)
&rst
ixpk= 758, nxpk= 10, iat=1427,1457, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 88 ASP HN 87 LYS HN 4.50 (# 759:10 Unique 2.29, 2.51 A)
&rst
ixpk= 759, nxpk= 10, iat=1479,1457, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 87 LYS HG- 88 ASP HN 4.50 (# 760:10 Unique 1.96, 4.01 A)
&rst
ixpk= 760, nxpk= 10, iat= -1,1479, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1464,1465,
&end
#
# 87 LYS HB+ 88 ASP HN 4.50 (# 761:10 Unique 2.46, 3.39 A)
&rst
ixpk= 761, nxpk= 10, iat= -1,1479, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1461,1462,
&end
#
# 87 LYS HB- 88 ASP HN 4.50 (# 762:10 Unique 2.46, 3.39 A)
&rst
ixpk= 762, nxpk= 10, iat= -1,1479, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1461,1462,
&end
#
# 88 ASP HB- 88 ASP HN 4.50 (# 763:10 Unique 2.12, 2.60 A)
&rst
ixpk= 763, nxpk= 10, iat= -1,1479, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1483,1484,
&end
#
# 88 ASP HB+ 88 ASP HN 4.50 (# 764:10 Unique 2.12, 2.60 A)
&rst
ixpk= 764, nxpk= 10, iat= -1,1479, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1483,1484,
&end
#
# 0 AMB 10-2:765 88 ASP HN 4.50 (# 765:10 Single Ambig)
&rst
ixpk= 765, nxpk= 10, iat= -1,1479, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1491,1438,
&end
#
# 87 LYS HN 88 ASP HN 5.50 (# 766:10 Unique 2.29, 2.51 A)
&rst
ixpk= 766, nxpk= 10, iat=1457,1479, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:768 88 ASP HN 3.50 (# 768:10 Single Ambig)
&rst
ixpk= 768, nxpk= 10, iat= -1,1479, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1459,1431,1432,
&end
#
# 90 LYS HN 89 SER HN 5.50 (# 769:10 Unique 2.48, 4.10 A)
&rst
ixpk= 769, nxpk= 10, iat=1502,1491, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 88 ASP HN 89 SER HN 3.50 (# 770:10 Unique 2.36, 2.61 A)
&rst
ixpk= 770, nxpk= 10, iat=1479,1491, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:771 89 SER HN 4.50 (# 771:10 Single Ambig)
&rst
ixpk= 771, nxpk= 10, iat= -1,1491, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1481, 924,
&end
#
# 89 SER HA 89 SER HN 3.50 (# 772:10 Unique 2.76, 2.82 A)
&rst
ixpk= 772, nxpk= 10, iat=1493,1491, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:773 89 SER HN 5.50 (# 773:10 Single Ambig)
&rst
ixpk= 773, nxpk= 10, iat= -1,1491, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1459,1431,1432,
&end
#
# 89 SER HB+ 89 SER HN 3.50 (# 775:10 Unique 2.10, 2.76 A)
&rst
ixpk= 775, nxpk= 10, iat= -1,1491, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1495,1496,
&end
#
# 88 ASP HB- 89 SER HN 5.50 (# 776:10 Unique 2.61, 3.31 A)
&rst
ixpk= 776, nxpk= 10, iat= -1,1491, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1483,1484,
&end
#
# 88 ASP HB+ 89 SER HN 4.50 (# 777:10 Unique 2.61, 3.31 A)
&rst
ixpk= 777, nxpk= 10, iat= -1,1491, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1483,1484,
&end
#
# 86 LEU MDX 89 SER HN 5.50 (# 778:10 Unique 5.04, 7.20 A)
&rst
ixpk= 778, nxpk= 10, iat= -1,1491, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1447,1448,1449,1451,1452,1453,
&end
#
# 91 ASP HN 90 LYS HN 4.50 (# 780:10 Unique 3.04, 3.70 A)
&rst
ixpk= 780, nxpk= 10, iat=1524,1502, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 89 SER HN 90 LYS HN 5.50 (# 781:10 Unique 2.48, 4.10 A)
&rst
ixpk= 781, nxpk= 10, iat=1491,1502, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 90 LYS HA 90 LYS HN 4.50 (# 782:10 Unique 2.27, 2.80 A)
&rst
ixpk= 782, nxpk= 10, iat=1504,1502, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 89 SER HA 90 LYS HN 3.50 (# 783:10 Unique 2.51, 2.82 A)
&rst
ixpk= 783, nxpk= 10, iat=1493,1502, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 89 SER HB+ 90 LYS HN 5.50 (# 784:10 Unique 1.95, 3.08 A)
&rst
ixpk= 784, nxpk= 10, iat= -1,1502, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1495,1496,
&end
#
# 90 LYS HB- 90 LYS HN 4.50 (# 785:10 Unique 2.45, 3.41 A)
&rst
ixpk= 785, nxpk= 10, iat= -1,1502, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1506,1507,
&end
#
# 90 LYS HD+ 90 LYS HN 4.50 (# 786:10 Unique 1.94, 2.88 A)
&rst
ixpk= 786, nxpk= 10, iat= -1,1502, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1512,1513,
&end
#
# 90 LYS HB+ 90 LYS HN 3.50 (# 787:10 Unique 2.45, 3.41 A)
&rst
ixpk= 787, nxpk= 10, iat= -1,1502, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1506,1507,
&end
#
# 90 LYS HG- 90 LYS HN 4.50 (# 788:10 Unique 2.17, 3.21 A)
&rst
ixpk= 788, nxpk= 10, iat= -1,1502, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1509,1510,
&end
#
# 90 LYS HG+ 90 LYS HN 3.50 (# 789:10 Unique 2.17, 3.21 A)
&rst
ixpk= 789, nxpk= 10, iat= -1,1502, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1509,1510,
&end
#
# 90 LYS HN 91 ASP HN 4.50 (# 791:10 Unique 3.04, 3.70 A)
&rst
ixpk= 791, nxpk= 10, iat=1502,1524, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 88 ASP HA 91 ASP HN 6.50 (# 792:10 Unique 5.80, 6.65 A)
&rst
ixpk= 792, nxpk= 10, iat=1481,1524, r1= 0.00, r2= 1.80, r3= 6.50, r4= 7.25, &end
#
# 89 SER HA 91 ASP HN 6.50 (# 793:10 Unique 5.00, 5.42 A)
&rst
ixpk= 793, nxpk= 10, iat=1493,1524, r1= 0.00, r2= 1.80, r3= 6.50, r4= 7.25, &end
#
# 90 LYS HA 91 ASP HN 3.50 (# 794:10 Unique 2.18, 2.33 A)
&rst
ixpk= 794, nxpk= 10, iat=1504,1524, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 91 ASP HB- 91 ASP HN 4.50 (# 796:10 Unique 2.76, 3.44 A)
&rst
ixpk= 796, nxpk= 10, iat= -1,1524, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1528,1529,
&end
#
# 91 ASP HB+ 92 PHE HN 4.50 (# 798:10 Unique 2.62, 3.64 A)
&rst
ixpk= 798, nxpk= 10, iat= -1,1536, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1528,1529,
&end
#
# 91 ASP HA 92 PHE HN 4.50 (# 799:10 Unique 2.14, 2.34 A)
&rst
ixpk= 799, nxpk= 10, iat=1526,1536, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 92 PHE HD 92 PHE HN 6.50 (# 800:10 Unique 2.55, 3.93 A)
&rst
ixpk= 800, nxpk= 10, iat= -1,1536, r1= 0.00, r2= 1.80, r3= 7.30, r4= 8.05,
igr1=1544,1552,
&end
#
# 83 LEU HN 82 LEU HN 4.50 (# 801:10 Unique 2.66, 2.76 A)
&rst
ixpk= 801, nxpk= 10, iat=1398,1379, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 81 TYR HN 82 LEU HN 4.50 (# 802:10 Unique 2.72, 2.78 A)
&rst
ixpk= 802, nxpk= 10, iat=1358,1379, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:803 82 LEU HN 4.50 (# 803:10 Single Ambig)
&rst
ixpk= 803, nxpk= 10, iat= -1,1379, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1043,1048,1041,1050,
&end
#
# 79 VAL HA 82 LEU HN 4.50 (# 804:10 Unique 3.44, 3.58 A)
&rst
ixpk= 804, nxpk= 10, iat=1322,1379, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 81 TYR HB- 82 LEU HN 5.50 (# 805:10 Unique 2.22, 3.12 A)
&rst
ixpk= 805, nxpk= 10, iat= -1,1379, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1362,1363,
&end
#
# 82 LEU HB- 82 LEU HN 4.50 (# 807:10 Unique 2.06, 2.67 A)
&rst
ixpk= 807, nxpk= 10, iat= -1,1379, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1383,1384,
&end
#
# 0 AMB 10-2:808 82 LEU HN 4.50 (# 808:10 Single Ambig)
&rst
ixpk= 808, nxpk= 10, iat= -1,1379, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1388,1389,1390,1392,1393,1394,1106,1107,1108,1110,
1111,1112,1407,1408,1409,1411,1412,1413,1665,1666,
1667,1669,1670,1671,
&end
#
# 82 LEU MDX 82 LEU HN 4.50 (# 809:10 Unique 3.45, 4.93 A)
&rst
ixpk= 809, nxpk= 10, iat= -1,1379, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1388,1389,1390,1392,1393,1394,
&end
#
# 59 LEU MDX 83 LEU HN 6.50 (# 810:10 Unique 5.57, 8.73 A)
&rst
ixpk= 810, nxpk= 10, iat= -1,1398, r1= 0.00, r2= 1.80, r3= 8.76, r4= 9.51,
igr1= 980, 981, 982, 984, 985, 986,
&end
#
# 0 AMB 10-2:811 83 LEU HN 4.50 (# 811:10 Single Ambig)
&rst
ixpk= 811, nxpk= 10, iat= -1,1398, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1326,1327,1328,1330,1331,1332,2116,2117,2118,2120,
2121,2122,
&end
#
# 0 AMB 10-2:812 83 LEU HN 3.50 (# 812:10 Single Ambig)
&rst
ixpk= 812, nxpk= 10, iat= -1,1398, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1388,1389,1390,1392,1393,1394,1407,1408,1409,1411,
1412,1413,1447,1448,1449,1451,1452,1453,
&end
#
# 82 LEU HB- 83 LEU HN 5.50 (# 813:10 Unique 2.45, 3.68 A)
&rst
ixpk= 813, nxpk= 10, iat= -1,1398, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1383,1384,
&end
#
# 83 LEU HB- 83 LEU HN 3.50 (# 814:10 Unique 2.16, 2.91 A)
&rst
ixpk= 814, nxpk= 10, iat= -1,1398, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1402,1403,
&end
#
# 82 LEU HB+ 83 LEU HN 3.50 (# 815:10 Unique 2.45, 3.68 A)
&rst
ixpk= 815, nxpk= 10, iat= -1,1398, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1383,1384,
&end
#
# 0 AMB 10-2:819 83 LEU HN 5.50 (# 819:10 Single Ambig)
&rst
ixpk= 819, nxpk= 10, iat= -1,1398, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1419,1440,
&end
#
# 82 LEU HN 83 LEU HN 4.50 (# 820:10 Unique 2.66, 2.76 A)
&rst
ixpk= 820, nxpk= 10, iat=1379,1398, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 84 ALA HN 83 LEU HN 5.50 (# 821:10 Unique 2.53, 2.64 A)
&rst
ixpk= 821, nxpk= 10, iat=1417,1398, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 83 LEU MDX 84 ALA HN 4.50 (# 822:10 Unique 4.35, 5.60 A)
&rst
ixpk= 822, nxpk= 10, iat= -1,1417, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1407,1408,1409,1411,1412,1413,
&end
#
# 83 LEU HB- 84 ALA HN 4.50 (# 823:10 Unique 2.45, 2.97 A)
&rst
ixpk= 823, nxpk= 10, iat= -1,1417, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1402,1403,
&end
#
# 83 LEU HN 84 ALA HN 5.50 (# 824:10 Unique 2.53, 2.64 A)
&rst
ixpk= 824, nxpk= 10, iat=1398,1417, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 105 GLN HA 105 GLN HN 3.50 (# 826:10 Unique 2.77, 2.81 A)
&rst
ixpk= 826, nxpk= 10, iat=1752,1750, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 105 GLN HG+ 105 GLN HN 3.50 (# 827:10 Unique 2.17, 3.48 A)
&rst
ixpk= 827, nxpk= 10, iat= -1,1750, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1757,1758,
&end
#
# 105 GLN HG- 105 GLN HN 3.50 (# 828:10 Unique 2.17, 3.48 A)
&rst
ixpk= 828, nxpk= 10, iat= -1,1750, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1757,1758,
&end
#
# 105 GLN HB- 105 GLN HN 3.50 (# 829:10 Unique 2.07, 2.82 A)
&rst
ixpk= 829, nxpk= 10, iat= -1,1750, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1754,1755,
&end
#
# 104 ALA MB 105 GLN HN 3.50 (# 830:10 Unique 2.23, 3.29 A)
&rst
ixpk= 830, nxpk= 10, iat= -1,1750, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1744,1745,1746,
&end
#
# 104 ALA MB 104 ALA HN 2.80 (# 831:10 Unique 2.07, 2.88 A)
&rst
ixpk= 831, nxpk= 10, iat= -1,1740, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1744,1745,1746,
&end
#
# 104 ALA HA 104 ALA HN 3.50 (# 832:10 Unique 2.73, 2.75 A)
&rst
ixpk= 832, nxpk= 10, iat=1742,1740, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:833 104 ALA HN 4.50 (# 833:10 Single Ambig)
&rst
ixpk= 833, nxpk= 10, iat= -1,1740, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1689,1677,
&end
#
# 107 GLN HN 106 PHE HN 4.50 (# 834:10 Unique 2.80, 2.94 A)
&rst
ixpk= 834, nxpk= 10, iat=1787,1767, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 105 GLN HN 106 PHE HN 3.50 (# 835:10 Unique 2.68, 2.79 A)
&rst
ixpk= 835, nxpk= 10, iat=1750,1767, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 106 PHE HD 106 PHE HN 4.50 (# 836:10 Unique 2.15, 3.48 A)
&rst
ixpk= 836, nxpk= 10, iat= -1,1767, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1775,1783,
&end
#
# 106 PHE HA 106 PHE HN 3.50 (# 837:10 Unique 2.70, 2.76 A)
&rst
ixpk= 837, nxpk= 10, iat=1769,1767, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:838 106 PHE HN 4.50 (# 838:10 Single Ambig)
&rst
ixpk= 838, nxpk= 10, iat= -1,1767, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1752,1789,
&end
#
# 106 PHE HB- 106 PHE HN 4.50 (# 840:10 Unique 2.27, 3.02 A)
&rst
ixpk= 840, nxpk= 10, iat= -1,1767, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1771,1772,
&end
#
# 106 PHE HB+ 106 PHE HN 4.50 (# 841:10 Unique 2.27, 3.02 A)
&rst
ixpk= 841, nxpk= 10, iat= -1,1767, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1771,1772,
&end
#
# 108 GLU HG+ 106 PHE HN 5.50 (# 842:10 Unique 5.11, 6.24 A)
&rst
ixpk= 842, nxpk= 10, iat= -1,1767, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1811,1812,
&end
#
# 105 GLN HB+ 106 PHE HN 3.50 (# 843:10 Unique 2.33, 2.83 A)
&rst
ixpk= 843, nxpk= 10, iat= -1,1767, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1754,1755,
&end
#
# 0 AMB 10-2:844 106 PHE HN 4.50 (# 844:10 Single Ambig)
&rst
ixpk= 844, nxpk= 10, iat= -1,1767, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1826,1791,1792,
&end
#
# 0 AMB 10-2:845 106 PHE HN 4.50 (# 845:10 Single Ambig)
&rst
ixpk= 845, nxpk= 10, iat= -1,1767, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1=1744,1745,1746,1703,1704,
&end
#
# 106 PHE HN 107 GLN HN 4.50 (# 846:10 Unique 2.80, 2.94 A)
&rst
ixpk= 846, nxpk= 10, iat=1767,1787, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 108 GLU HN 107 GLN HN 4.50 (# 847:10 Unique 2.58, 2.65 A)
&rst
ixpk= 847, nxpk= 10, iat=1804,1787, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 109 LEU HN 107 GLN HN 5.50 (# 848:10 Unique 4.47, 4.95 A)
&rst
ixpk= 848, nxpk= 10, iat=1819,1787, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 104 ALA HA 107 GLN HN 4.50 (# 849:10 Unique 3.80, 3.95 A)
&rst
ixpk= 849, nxpk= 10, iat=1742,1787, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:850 107 GLN HN 4.50 (# 850:10 Single Ambig)
&rst
ixpk= 850, nxpk= 10, iat= -1,1787, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1789,1752,
&end
#
# 107 GLN HG+ 107 GLN HN 4.50 (# 851:10 Unique 3.10, 4.05 A)
&rst
ixpk= 851, nxpk= 10, iat= -1,1787, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1794,1795,
&end
#
# 107 GLN HB- 107 GLN HN 3.50 (# 852:10 Unique 2.06, 2.62 A)
&rst
ixpk= 852, nxpk= 10, iat= -1,1787, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1791,1792,
&end
#
# 0 AMB 10-2:853 107 GLN HN 5.50 (# 853:10 Single Ambig)
&rst
ixpk= 853, nxpk= 10, iat= -1,1787, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1808,1809,1264,1265,1757,1758,
&end
#
# 107 GLN HB+ 107 GLN HN 3.50 (# 854:10 Unique 2.06, 2.62 A)
&rst
ixpk= 854, nxpk= 10, iat= -1,1787, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1791,1792,
&end
#
# 0 AMB 10-2:855 107 GLN HN 5.50 (# 855:10 Single Ambig)
&rst
ixpk= 855, nxpk= 10, iat= -1,1787, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=1823,1824,1744,1745,1746,
&end
#
# 0 AMB 10-2:856 107 GLN HN 5.50 (# 856:10 Single Ambig)
&rst
ixpk= 856, nxpk= 10, iat= -1,1787, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=2082,2083,2084,1828,1829,1830,1832,1833,1834,
&end
#
# 107 GLN HN 108 GLU HN 4.50 (# 857:10 Unique 2.58, 2.65 A)
&rst
ixpk= 857, nxpk= 10, iat=1787,1804, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 109 LEU HN 108 GLU HN 3.50 (# 858:10 Unique 2.84, 3.00 A)
&rst
ixpk= 858, nxpk= 10, iat=1819,1804, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 110 ASP HA 108 GLU HN 6.50 (# 859:10 Unique 6.39, 6.53 A)
&rst
ixpk= 859, nxpk= 10, iat=1840,1804, r1= 0.00, r2= 1.80, r3= 6.50, r4= 7.25, &end
#
# 108 GLU HA 108 GLU HN 3.50 (# 861:10 Unique 2.79, 2.80 A)
&rst
ixpk= 861, nxpk= 10, iat=1806,1804, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 108 GLU HB- 108 GLU HN 2.80 (# 863:10 Unique 2.07, 2.81 A)
&rst
ixpk= 863, nxpk= 10, iat= -1,1804, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1808,1809,
&end
#
# 104 ALA MB 108 GLU HN 5.50 (# 864:10 Unique 5.19, 5.73 A)
&rst
ixpk= 864, nxpk= 10, iat= -1,1804, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1744,1745,1746,
&end
#
# 0 AMB 10-2:866 108 GLU HN 3.50 (# 866:10 Single Ambig)
&rst
ixpk= 866, nxpk= 10, iat= -1,1804, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1791,1792,1826,
&end
#
# 0 AMB 10-2:867 108 GLU HN 4.50 (# 867:10 Single Ambig)
&rst
ixpk= 867, nxpk= 10, iat= -1,1804, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1828,1829,1830,1832,1833,1834,2082,2083,2084,
&end
#
# 108 GLU HN 109 LEU HN 3.50 (# 868:10 Unique 2.84, 3.00 A)
&rst
ixpk= 868, nxpk= 10, iat=1804,1819, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 108 GLU HG+ 109 LEU HN 4.50 (# 872:10 Unique 4.13, 4.58 A)
&rst
ixpk= 872, nxpk= 10, iat= -1,1819, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1811,1812,
&end
#
# 108 GLU HB- 109 LEU HN 3.50 (# 873:10 Unique 2.22, 2.51 A)
&rst
ixpk= 873, nxpk= 10, iat= -1,1819, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1808,1809,
&end
#
# 109 LEU HG 109 LEU HN 3.50 (# 874:10 Unique 1.84, 2.08 A)
&rst
ixpk= 874, nxpk= 10, iat=1826,1819, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 109 LEU HB+ 109 LEU HN 2.80 (# 875:10 Unique 2.53, 3.12 A)
&rst
ixpk= 875, nxpk= 10, iat= -1,1819, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1823,1824,
&end
#
# 109 LEU MDX 109 LEU HN 3.50 (# 877:10 Unique 2.05, 3.95 A)
&rst
ixpk= 877, nxpk= 10, iat= -1,1819, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1828,1829,1830,1832,1833,1834,
&end
#
# 112 LYS HN 111 SER HN 3.50 (# 878:10 Unique 2.42, 2.57 A)
&rst
ixpk= 878, nxpk= 10, iat=1861,1850, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 110 ASP HA 111 SER HN 4.50 (# 879:10 Unique 3.56, 3.57 A)
&rst
ixpk= 879, nxpk= 10, iat=1840,1850, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 111 SER HA 111 SER HN 3.50 (# 880:10 Unique 2.75, 2.83 A)
&rst
ixpk= 880, nxpk= 10, iat=1852,1850, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 111 SER HB+ 111 SER HN 2.80 (# 881:10 Unique 2.10, 2.65 A)
&rst
ixpk= 881, nxpk= 10, iat= -1,1850, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1854,1855,
&end
#
# 0 AMB 10-2:883 111 SER HN 4.50 (# 883:10 Single Ambig)
&rst
ixpk= 883, nxpk= 10, iat= -1,1850, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1926,1927,1865,1866,
&end
#
# 111 SER HN 112 LYS HN 3.50 (# 884:10 Unique 2.42, 2.57 A)
&rst
ixpk= 884, nxpk= 10, iat=1850,1861, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:886 112 LYS HN 3.50 (# 886:10 Single Ambig)
&rst
ixpk= 886, nxpk= 10, iat= -1,1861, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1863,1852,
&end
#
# 112 LYS HB+ 112 LYS HN 3.50 (# 889:10 Unique 2.06, 2.60 A)
&rst
ixpk= 889, nxpk= 10, iat= -1,1861, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1865,1866,
&end
#
# 112 LYS HG- 112 LYS HN 4.50 (# 890:10 Unique 3.12, 4.36 A)
&rst
ixpk= 890, nxpk= 10, iat= -1,1861, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1868,1869,
&end
#
# 113 LYS HG+ 112 LYS HN 4.50 (# 891:10 Unique 4.15, 5.16 A)
&rst
ixpk= 891, nxpk= 10, iat= -1,1861, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1890,1891,
&end
#
# 114 GLN HN 113 LYS HN 5.50 (# 892:10 Unique 1.99, 2.41 A)
&rst
ixpk= 892, nxpk= 10, iat=1905,1883, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:894 113 LYS HN 3.50 (# 894:10 Single Ambig)
&rst
ixpk= 894, nxpk= 10, iat= -1,1883, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1863,1907,
&end
#
# 113 LYS HA 113 LYS HN 3.50 (# 895:10 Unique 2.79, 2.82 A)
&rst
ixpk= 895, nxpk= 10, iat=1885,1883, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:897 113 LYS HN 4.50 (# 897:10 Single Ambig)
&rst
ixpk= 897, nxpk= 10, iat= -1,1883, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1893,1894,1871,1872,
&end
#
# 0 AMB 10-2:899 113 LYS HN 3.50 (# 899:10 Single Ambig)
&rst
ixpk= 899, nxpk= 10, iat= -1,1883, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1865,1866,1887,1888,
&end
#
# 118 GLY HA- 118 GLY HN 4.50 (# 900:10 Unique 2.29, 2.67 A)
&rst
ixpk= 900, nxpk= 10, iat= -1,1974, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1976,1977,
&end
#
# 9 THR HB 9 THR HN 3.50 (# 902:10 Unique 2.39, 2.51 A)
&rst
ixpk= 902, nxpk= 10, iat= 136, 132, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:903 40 GLN HN 4.50 (# 903:10 Single Ambig)
&rst
ixpk= 903, nxpk= 10, iat= -1, 665, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 647, 684,
&end
#
# 119 SER HA 120 LYS HN 3.50 (# 904:10 Unique 2.17, 2.85 A)
&rst
ixpk= 904, nxpk= 10, iat=1983,1992, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 120 LYS HB+ 120 LYS HN 4.50 (# 905:10 Unique 2.10, 3.09 A)
&rst
ixpk= 905, nxpk= 10, iat= -1,1992, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1996,1997,
&end
#
# 37 LEU HB+ 40 GLN HN 4.50 (# 907:10 Unique 2.74, 4.17 A)
&rst
ixpk= 907, nxpk= 10, iat= -1, 665, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 606, 607,
&end
#
# 123 GLY HA- 123 GLY HN 3.50 (# 909:10 Unique 2.29, 2.68 A)
&rst
ixpk= 909, nxpk= 10, iat= -1,2043, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2045,2046,
&end
#
# 123 GLY HA+ 123 GLY HN 3.50 (# 910:10 Unique 2.29, 2.68 A)
&rst
ixpk= 910, nxpk= 10, iat= -1,2043, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2045,2046,
&end
#
# 121 ASP HB- 123 GLY HN 5.50 (# 912:10 Unique 3.08, 5.29 A)
&rst
ixpk= 912, nxpk= 10, iat= -1,2043, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2018,2019,
&end
#
# 124 ASP HA 124 ASP HN 4.50 (# 915:10 Unique 2.27, 2.75 A)
&rst
ixpk= 915, nxpk= 10, iat=2052,2050, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 123 GLY HA+ 124 ASP HN 4.50 (# 916:10 Unique 2.14, 2.84 A)
&rst
ixpk= 916, nxpk= 10, iat= -1,2050, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2045,2046,
&end
#
# 123 GLY HA- 124 ASP HN 4.50 (# 917:10 Unique 2.14, 2.84 A)
&rst
ixpk= 917, nxpk= 10, iat= -1,2050, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2045,2046,
&end
#
# 0 AMB 10-2:919 124 ASP HN 5.50 (# 919:10 Single Ambig)
&rst
ixpk= 919, nxpk= 10, iat= -1,2050, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1283,1284,1285,1287,1288,1289,2097,2098,2099,2101,
2102,2103,2097,2098,2099,2101,2102,2103,2116,2117,
2118,2120,2121,2122,
&end
#
# 0 AMB 10-2:920 124 ASP HN 3.50 (# 920:10 Single Ambig)
&rst
ixpk= 920, nxpk= 10, iat= -1,2050, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2054,2055,2018,2019,
&end
#
# 114 GLN HA 114 GLN HN 2.80 (# 928:10 Unique 2.28, 2.85 A)
&rst
ixpk= 928, nxpk= 10, iat=1907,1905, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 114 GLN HG+ 114 GLN HN 4.50 (# 930:10 Unique 2.28, 4.59 A)
&rst
ixpk= 930, nxpk= 10, iat= -1,1905, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1912,1913,
&end
#
# 114 GLN HB+ 114 GLN HN 3.50 (# 931:10 Unique 2.23, 3.20 A)
&rst
ixpk= 931, nxpk= 10, iat= -1,1905, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1909,1910,
&end
#
# 113 LYS HG+ 114 GLN HN 4.50 (# 932:10 Unique 1.94, 4.52 A)
&rst
ixpk= 932, nxpk= 10, iat= -1,1905, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1890,1891,
&end
#
# 95 SER HN 94 GLU HN 4.50 (# 933:10 Unique 2.68, 2.82 A)
&rst
ixpk= 933, nxpk= 10, iat=1583,1568, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 98 TYR HN 94 GLU HN 6.50 (# 934:10 Unique 5.68, 5.81 A)
&rst
ixpk= 934, nxpk= 10, iat=1635,1568, r1= 0.00, r2= 1.80, r3= 6.50, r4= 7.25, &end
#
# 93 ASP HN 94 GLU HN 4.50 (# 935:10 Unique 2.66, 2.80 A)
&rst
ixpk= 935, nxpk= 10, iat=1556,1568, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 94 GLU HB- 94 GLU HN 4.50 (# 936:10 Unique 2.07, 2.82 A)
&rst
ixpk= 936, nxpk= 10, iat= -1,1568, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1572,1573,
&end
#
# 94 GLU HB+ 94 GLU HN 3.50 (# 937:10 Unique 2.07, 2.82 A)
&rst
ixpk= 937, nxpk= 10, iat= -1,1568, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1572,1573,
&end
#
# 0 AMB 10-2:938 94 GLU HN 4.50 (# 938:10 Single Ambig)
&rst
ixpk= 938, nxpk= 10, iat= -1,1568, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1575,1576,1528,1529,
&end
#
# 93 ASP HB+ 94 GLU HN 5.50 (# 939:10 Unique 2.40, 3.25 A)
&rst
ixpk= 939, nxpk= 10, iat= -1,1568, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1560,1561,
&end
#
# 94 GLU HA 94 GLU HN 4.50 (# 941:10 Unique 2.72, 2.76 A)
&rst
ixpk= 941, nxpk= 10, iat=1570,1568, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 94 GLU HN 95 SER HN 4.50 (# 942:10 Unique 2.68, 2.82 A)
&rst
ixpk= 942, nxpk= 10, iat=1568,1583, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 86 LEU HA 95 SER HN 6.50 (# 945:10 Unique 5.52, 6.13 A)
&rst
ixpk= 945, nxpk= 10, iat=1440,1583, r1= 0.00, r2= 1.80, r3= 6.50, r4= 7.25, &end
#
# 94 GLU HB+ 95 SER HN 4.50 (# 947:10 Unique 2.55, 3.10 A)
&rst
ixpk= 947, nxpk= 10, iat= -1,1583, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1572,1573,
&end
#
# 0 AMB 10-2:950 95 SER HN 6.50 (# 950:10 Single Ambig)
&rst
ixpk= 950, nxpk= 10, iat= -1,1583, r1= 0.00, r2= 1.80, r3= 9.84, r4=10.59,
igr1=1447,1448,1449,1451,1452,1453,1407,1408,1409,1411,
1412,1413,
&end
#
# 0 AMB 10-2:956 101 ASP HN 4.50 (# 956:10 Single Ambig)
&rst
ixpk= 956, nxpk= 10, iat= -1,1687, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1=1703,1704,1744,1745,1746,
&end
#
# 102 LEU HN 101 ASP HN 4.50 (# 957:10 Unique 2.58, 2.72 A)
&rst
ixpk= 957, nxpk= 10, iat=1699,1687, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 100 ASP HN 101 ASP HN 3.50 (# 958:10 Unique 2.89, 2.97 A)
&rst
ixpk= 958, nxpk= 10, iat=1675,1687, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:959 101 ASP HN 4.50 (# 959:10 Single Ambig)
&rst
ixpk= 959, nxpk= 10, iat= -1,1687, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1718,1740,
&end
#
# 102 LEU MDX 102 LEU HN 5.50 (# 960:10 Unique 3.50, 5.11 A)
&rst
ixpk= 960, nxpk= 10, iat= -1,1699, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1708,1709,1710,1712,1713,1714,
&end
#
# 0 AMB 10-2:961 102 LEU HN 4.50 (# 961:10 Single Ambig)
&rst
ixpk= 961, nxpk= 10, iat= -1,1699, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1708,1709,1710,1712,1713,1714,1665,1666,1667,1669,
1670,1671,
&end
#
# 0 AMB 10-2:962 102 LEU HN 5.50 (# 962:10 Single Ambig)
&rst
ixpk= 962, nxpk= 10, iat= -1,1699, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2132,2133,2134,2189,2190,2191,
&end
#
# 102 LEU HB- 102 LEU HN 3.50 (# 963:10 Unique 2.06, 2.51 A)
&rst
ixpk= 963, nxpk= 10, iat= -1,1699, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1703,1704,
&end
#
# 103 LYS HB- 102 LEU HN 5.50 (# 964:10 Unique 4.65, 5.21 A)
&rst
ixpk= 964, nxpk= 10, iat= -1,1699, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1722,1723,
&end
#
# 101 ASP HB- 102 LEU HN 4.50 (# 966:10 Unique 2.42, 3.06 A)
&rst
ixpk= 966, nxpk= 10, iat= -1,1699, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1691,1692,
&end
#
# 101 ASP HB+ 102 LEU HN 3.50 (# 967:10 Unique 2.42, 3.06 A)
&rst
ixpk= 967, nxpk= 10, iat= -1,1699, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1691,1692,
&end
#
# 0 AMB 10-2:968 102 LEU HN 3.50 (# 968:10 Single Ambig)
&rst
ixpk= 968, nxpk= 10, iat= -1,1699, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1701,1658,
&end
#
# 101 ASP HA 102 LEU HN 4.50 (# 969:10 Unique 3.50, 3.54 A)
&rst
ixpk= 969, nxpk= 10, iat=1689,1699, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:970 102 LEU HN 3.50 (# 970:10 Single Ambig)
&rst
ixpk= 970, nxpk= 10, iat= -1,1699, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1718,1740,
&end
#
# 101 ASP HN 102 LEU HN 3.50 (# 971:10 Unique 2.58, 2.72 A)
&rst
ixpk= 971, nxpk= 10, iat=1687,1699, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 101 ASP HA 101 ASP HN 3.50 (# 972:10 Unique 2.79, 2.81 A)
&rst
ixpk= 972, nxpk= 10, iat=1689,1687, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:973 101 ASP HN 4.50 (# 973:10 Single Ambig)
&rst
ixpk= 973, nxpk= 10, iat= -1,1687, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1615,1637,
&end
#
# 101 ASP HB- 101 ASP HN 3.50 (# 974:10 Unique 2.07, 2.75 A)
&rst
ixpk= 974, nxpk= 10, iat= -1,1687, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1691,1692,
&end
#
# 101 ASP HB+ 101 ASP HN 2.80 (# 975:10 Unique 2.07, 2.75 A)
&rst
ixpk= 975, nxpk= 10, iat= -1,1687, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1691,1692,
&end
#
# 0 AMB 10-2:976 101 ASP HN 5.50 (# 976:10 Single Ambig)
&rst
ixpk= 976, nxpk= 10, iat= -1,1687, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1617,1618,2187,
&end
#
# 0 AMB 10-2:977 103 LYS HN 5.50 (# 977:10 Single Ambig)
&rst
ixpk= 977, nxpk= 10, iat= -1,1718, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1665,1666,1667,1669,1670,1671,2139,2140,2141,
&end
#
# 102 LEU HB- 103 LYS HN 3.50 (# 980:10 Unique 2.04, 3.01 A)
&rst
ixpk= 980, nxpk= 10, iat= -1,1718, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1703,1704,
&end
#
# 103 LYS HB+ 103 LYS HN 4.50 (# 981:10 Unique 2.11, 2.56 A)
&rst
ixpk= 981, nxpk= 10, iat= -1,1718, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1722,1723,
&end
#
# 103 LYS HB- 103 LYS HN 3.50 (# 982:10 Unique 2.11, 2.56 A)
&rst
ixpk= 982, nxpk= 10, iat= -1,1718, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1722,1723,
&end
#
# 103 LYS HA 103 LYS HN 4.50 (# 983:10 Unique 2.75, 2.78 A)
&rst
ixpk= 983, nxpk= 10, iat=1720,1718, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:984 103 LYS HN 4.50 (# 984:10 Single Ambig)
&rst
ixpk= 984, nxpk= 10, iat= -1,1718, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1658,1701,
&end
#
# 102 LEU HN 103 LYS HN 3.50 (# 985:10 Unique 2.75, 2.90 A)
&rst
ixpk= 985, nxpk= 10, iat=1699,1718, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 102 LEU MDY 106 PHE HN 5.50 (# 986:10 Unique 3.81, 6.07 A)
&rst
ixpk= 986, nxpk= 10, iat= -1,1767, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1708,1709,1710,1712,1713,1714,
&end
#
# 115 ARG HG- 115 ARG HN 4.50 (# 988:10 Unique 2.17, 4.48 A)
&rst
ixpk= 988, nxpk= 10, iat= -1,1922, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1929,1930,
&end
#
# 114 GLN HB- 115 ARG HN 4.50 (# 990:10 Unique 1.90, 3.08 A)
&rst
ixpk= 990, nxpk= 10, iat= -1,1922, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1909,1910,
&end
#
# 114 GLN HG+ 115 ARG HN 5.50 (# 991:10 Unique 2.99, 4.77 A)
&rst
ixpk= 991, nxpk= 10, iat= -1,1922, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1912,1913,
&end
#
# 0 AMB 10-2:992 115 ARG HN 3.50 (# 992:10 Single Ambig)
&rst
ixpk= 992, nxpk= 10, iat= -1,1922, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1924,1907,
&end
#
# 110 ASP HA 110 ASP HN 4.50 (# 995:10 Unique 2.76, 2.79 A)
&rst
ixpk= 995, nxpk= 10, iat=1840,1838, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 96 LEU MDY 96 LEU HN 4.50 (# 999:10 Unique 1.84, 3.77 A)
&rst
ixpk= 999, nxpk= 10, iat= -1,1594, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1603,1604,1605,1607,1608,1609,
&end
#
# 96 LEU MDX 96 LEU HN 3.50 (# 1000:10 Unique 1.84, 3.77 A)
&rst
ixpk= 1000, nxpk= 10, iat= -1,1594, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1603,1604,1605,1607,1608,1609,
&end
#
# 96 LEU HG 96 LEU HN 4.50 (# 1001:10 Unique 3.77, 4.10 A)
&rst
ixpk= 1001, nxpk= 10, iat=1601,1594, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 97 LYS HN 96 LEU HN 4.50 (# 1004:10 Unique 2.63, 2.81 A)
&rst
ixpk= 1004, nxpk= 10, iat=1613,1594, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:1005 97 LYS HN 3.50 (# 1005:10 Single Ambig)
&rst
ixpk= 1005, nxpk= 10, iat= -1,1613, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1594,1656,
&end
#
# 98 TYR HN 97 LYS HN 3.50 (# 1006:10 Unique 2.58, 2.78 A)
&rst
ixpk= 1006, nxpk= 10, iat=1635,1613, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 97 LYS HA 97 LYS HN 3.50 (# 1007:10 Unique 2.73, 2.79 A)
&rst
ixpk= 1007, nxpk= 10, iat=1615,1613, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:1008 97 LYS HN 2.80 (# 1008:10 Single Ambig)
&rst
ixpk= 1008, nxpk= 10, iat= -1,1613, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1617,1618,1598,1599,
&end
#
# 97 LYS HB+ 97 LYS HN 2.80 (# 1009:10 Unique 2.11, 2.91 A)
&rst
ixpk= 1009, nxpk= 10, iat= -1,1613, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1617,1618,
&end
#
# 97 LYS HD+ 97 LYS HN 3.50 (# 1010:10 Unique 1.93, 2.66 A)
&rst
ixpk= 1010, nxpk= 10, iat= -1,1613, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1623,1624,
&end
#
# 97 LYS HG- 97 LYS HN 4.50 (# 1011:10 Unique 1.96, 3.73 A)
&rst
ixpk= 1011, nxpk= 10, iat= -1,1613, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1620,1621,
&end
#
# 96 LEU MDX 97 LYS HN 5.50 (# 1012:10 Unique 2.08, 5.03 A)
&rst
ixpk= 1012, nxpk= 10, iat= -1,1613, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1603,1604,1605,1607,1608,1609,
&end
#
# 0 AMB 10-2:1013 98 TYR HN 5.50 (# 1013:10 Single Ambig)
&rst
ixpk= 1013, nxpk= 10, iat= -1,1635, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1656,1594,
&end
#
# 97 LYS HN 98 TYR HN 3.50 (# 1014:10 Unique 2.58, 2.78 A)
&rst
ixpk= 1014, nxpk= 10, iat=1613,1635, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 98 TYR HD 98 TYR HN 4.50 (# 1015:10 Unique 2.02, 3.66 A)
&rst
ixpk= 1015, nxpk= 10, iat= -1,1635, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1643,1652,
&end
#
# 0 AMB 10-2:1016 98 TYR HN 3.50 (# 1016:10 Single Ambig)
&rst
ixpk= 1016, nxpk= 10, iat= -1,1635, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1637,1615,
&end
#
# 98 TYR HB- 98 TYR HN 4.50 (# 1017:10 Unique 2.15, 2.88 A)
&rst
ixpk= 1017, nxpk= 10, iat= -1,1635, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1639,1640,
&end
#
# 98 TYR HB+ 98 TYR HN 4.50 (# 1018:10 Unique 2.15, 2.88 A)
&rst
ixpk= 1018, nxpk= 10, iat= -1,1635, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1639,1640,
&end
#
# 97 LYS HB+ 98 TYR HN 4.50 (# 1019:10 Unique 2.37, 2.96 A)
&rst
ixpk= 1019, nxpk= 10, iat= -1,1635, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1617,1618,
&end
#
# 0 AMB 10-2:1020 98 TYR HN 4.50 (# 1020:10 Single Ambig)
&rst
ixpk= 1020, nxpk= 10, iat= -1,1635, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1447,1448,1449,1451,1452,1453,1603,1604,1605,1607,
1608,1609,1665,1666,1667,1669,1670,1671,1388,1389,
1390,1392,1393,1394,
&end
#
# 100 ASP HN 99 LEU HN 4.50 (# 1021:10 Unique 2.59, 2.68 A)
&rst
ixpk= 1021, nxpk= 10, iat=1675,1656, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 98 TYR HN 99 LEU HN 3.50 (# 1022:10 Unique 2.76, 2.95 A)
&rst
ixpk= 1022, nxpk= 10, iat=1635,1656, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 96 LEU HA 99 LEU HN 4.50 (# 1023:10 Unique 3.68, 3.94 A)
&rst
ixpk= 1023, nxpk= 10, iat=1596,1656, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:1024 99 LEU HN 4.50 (# 1024:10 Single Ambig)
&rst
ixpk= 1024, nxpk= 10, iat= -1,1656, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1637,1615,
&end
#
# 99 LEU HB- 99 LEU HN 4.50 (# 1025:10 Unique 2.12, 2.81 A)
&rst
ixpk= 1025, nxpk= 10, iat= -1,1656, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1660,1661,
&end
#
# 99 LEU HB+ 99 LEU HN 3.50 (# 1026:10 Unique 2.12, 2.81 A)
&rst
ixpk= 1026, nxpk= 10, iat= -1,1656, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1660,1661,
&end
#
# 99 LEU MDY 99 LEU HN 5.50 (# 1030:10 Unique 2.13, 3.94 A)
&rst
ixpk= 1030, nxpk= 10, iat= -1,1656, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1665,1666,1667,1669,1670,1671,
&end
#
# 101 ASP HN 100 ASP HN 3.50 (# 1031:10 Unique 2.89, 2.97 A)
&rst
ixpk= 1031, nxpk= 10, iat=1687,1675, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 99 LEU HN 100 ASP HN 4.50 (# 1032:10 Unique 2.59, 2.68 A)
&rst
ixpk= 1032, nxpk= 10, iat=1656,1675, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 100 ASP HA 100 ASP HN 3.50 (# 1033:10 Unique 2.75, 2.77 A)
&rst
ixpk= 1033, nxpk= 10, iat=1677,1675, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:1034 100 ASP HN 4.50 (# 1034:10 Single Ambig)
&rst
ixpk= 1034, nxpk= 10, iat= -1,1675, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1615,1637,
&end
#
# 0 AMB 10-2:1036 100 ASP HN 4.50 (# 1036:10 Single Ambig)
&rst
ixpk= 1036, nxpk= 10, iat= -1,1675, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=2193,2194,1660,1661,
&end
#
# 100 ASP HB+ 100 ASP HN 3.50 (# 1037:10 Unique 2.26, 2.54 A)
&rst
ixpk= 1037, nxpk= 10, iat= -1,1675, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1679,1680,
&end
#
# 100 ASP HB- 100 ASP HN 3.50 (# 1038:10 Unique 2.26, 2.54 A)
&rst
ixpk= 1038, nxpk= 10, iat= -1,1675, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1679,1680,
&end
#
# 0 AMB 10-2:1070 0 AMB 10-1:1070 3.50 (# 1070:10 Double Ambig)
&rst
ixpk= 1070, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2347,2147,
igr2=2357,2202,
&end
#
# 25 LEU MDX 28 GLN HE2+ 5.50 (# 1104:10 Unique 2.71, 6.97 A)
&rst
ixpk= 1104, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 390, 391, 392, 394, 395, 396,
igr2= 447, 448,
&end
#
# 0 AMB 10-2:1105 0 AMB 10-1:1105 5.50 (# 1105:10 Double Ambig)
&rst
ixpk= 1105, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.70, r4=10.45,
igr1= 388, 374, 375, 385, 386,
igr2= 447, 448, 447, 448, 447, 448,
&end
#
# 28 GLN HG+ 28 GLN HE2+ 4.50 (# 1106:10 Unique 2.12, 3.32 A)
&rst
ixpk= 1106, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 442, 443,
igr2= 447, 448,
&end
#
# 28 GLN HG- 28 GLN HE2+ 3.50 (# 1107:10 Unique 2.12, 3.32 A)
&rst
ixpk= 1107, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 442, 443,
igr2= 447, 448,
&end
#
# 28 GLN HG+ 28 GLN HE2- 4.50 (# 1108:10 Unique 2.12, 3.32 A)
&rst
ixpk= 1108, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 442, 443,
igr2= 447, 448,
&end
#
# 0 AMB 10-2:1109 28 GLN HE2- 3.50 (# 1109:10 Single Ambig)
&rst
ixpk= 1109, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 442, 443, 439, 440,
igr2= 447, 448,
&end
#
# 25 LEU MDX 28 GLN HE2- 5.50 (# 1111:10 Unique 2.71, 6.97 A)
&rst
ixpk= 1111, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 390, 391, 392, 394, 395, 396,
igr2= 447, 448,
&end
#
# 40 GLN HB+ 40 GLN HE2+ 5.50 (# 1112:10 Unique 2.16, 3.41 A)
&rst
ixpk= 1112, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 669, 670,
igr2= 677, 678,
&end
#
# 37 LEU MDX 40 GLN HE2+ 4.50 (# 1113:10 Unique 2.02, 4.45 A)
&rst
ixpk= 1113, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 611, 612, 613, 615, 616, 617,
igr2= 677, 678,
&end
#
# 37 LEU MDY 40 GLN HE2+ 4.50 (# 1114:10 Unique 2.02, 4.45 A)
&rst
ixpk= 1114, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 611, 612, 613, 615, 616, 617,
igr2= 677, 678,
&end
#
# 41 LEU HB+ 40 GLN HE2+ 5.50 (# 1115:10 Unique 4.95, 7.08 A)
&rst
ixpk= 1115, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 686, 687,
igr2= 677, 678,
&end
#
# 40 GLN HG- 40 GLN HE2+ 3.50 (# 1116:10 Unique 2.12, 3.43 A)
&rst
ixpk= 1116, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 672, 673,
igr2= 677, 678,
&end
#
# 40 GLN HG+ 40 GLN HE2+ 3.50 (# 1117:10 Unique 2.12, 3.43 A)
&rst
ixpk= 1117, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 672, 673,
igr2= 677, 678,
&end
#
# 113 LYS HE+ 114 GLN HE2- 5.50 (# 1118:10 Unique 2.33, 5.93 A)
&rst
ixpk= 1118, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1896,1897,
igr2=1917,1918,
&end
#
# 114 GLN HG+ 114 GLN HE2- 4.50 (# 1119:10 Unique 2.12, 3.23 A)
&rst
ixpk= 1119, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1912,1913,
igr2=1917,1918,
&end
#
# 0 AMB 10-2:1120 0 AMB 10-1:1120 4.50 (# 1120:10 Double Ambig)
&rst
ixpk= 1120, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 672, 673,1909,1910,
igr2= 677, 678,1917,1918,
&end
#
# 40 GLN HG+ 40 GLN HE2- 4.50 (# 1121:10 Unique 2.12, 3.43 A)
&rst
ixpk= 1121, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 672, 673,
igr2= 677, 678,
&end
#
# 37 LEU MDX 40 GLN HE2- 4.50 (# 1122:10 Unique 2.02, 4.45 A)
&rst
ixpk= 1122, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 611, 612, 613, 615, 616, 617,
igr2= 677, 678,
&end
#
# 37 LEU MDY 40 GLN HE2- 4.50 (# 1123:10 Unique 2.02, 4.45 A)
&rst
ixpk= 1123, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 611, 612, 613, 615, 616, 617,
igr2= 677, 678,
&end
#
# 37 LEU HB+ 40 GLN HE2- 4.50 (# 1124:10 Unique 1.95, 4.55 A)
&rst
ixpk= 1124, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 606, 607,
igr2= 677, 678,
&end
#
# 105 GLN HN 105 GLN HE2+ 6.50 (# 1125:10 Unique 3.90, 5.35 A)
&rst
ixpk= 1125, nxpk= 10, iat=1750, -1, r1= 0.00, r2= 1.80, r3= 7.30, r4= 8.05,
igr2=1762,1763,
&end
#
# 105 GLN HA 105 GLN HE2+ 6.50 (# 1126:10 Unique 1.95, 3.31 A)
&rst
ixpk= 1126, nxpk= 10, iat=1752, -1, r1= 0.00, r2= 1.80, r3= 7.30, r4= 8.05,
igr2=1762,1763,
&end
#
# 105 GLN HG+ 105 GLN HE2+ 5.50 (# 1127:10 Unique 2.15, 3.38 A)
&rst
ixpk= 1127, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1757,1758,
igr2=1762,1763,
&end
#
# 0 AMB 10-2:1128 105 GLN HE2- 5.50 (# 1128:10 Single Ambig)
&rst
ixpk= 1128, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1757,1758,1808,1809,
igr2=1762,1763,
&end
#
# 0 AMB 10-2:1129 0 AMB 10-1:1129 4.50 (# 1129:10 Double Ambig)
&rst
ixpk= 1129, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1757,1758,1808,1809,
igr2=1762,1763,1762,1763,
&end
#
# 109 LEU HG 105 GLN HE2+ 5.50 (# 1130:10 Unique 4.03, 5.44 A)
&rst
ixpk= 1130, nxpk= 10, iat=1826, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1762,1763,
&end
#
# 105 GLN HB- 105 GLN HE2- 5.50 (# 1131:10 Unique 1.95, 3.94 A)
&rst
ixpk= 1131, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1754,1755,
igr2=1762,1763,
&end
#
# 103 LYS HG+ 107 GLN HE2- 6.50 (# 1136:10 Unique 3.42, 5.98 A)
&rst
ixpk= 1136, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.19, r4= 8.94,
igr1=1725,1726,
igr2=1799,1800,
&end
#
# 107 GLN HB+ 107 GLN HE2- 5.50 (# 1137:10 Unique 1.94, 3.57 A)
&rst
ixpk= 1137, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1791,1792,
igr2=1799,1800,
&end
#
# 107 GLN HB- 107 GLN HE2- 4.50 (# 1138:10 Unique 1.94, 3.57 A)
&rst
ixpk= 1138, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1791,1792,
igr2=1799,1800,
&end
#
# 107 GLN HG+ 107 GLN HE2- 3.50 (# 1139:10 Unique 2.12, 3.38 A)
&rst
ixpk= 1139, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1794,1795,
igr2=1799,1800,
&end
#
# 107 GLN HG- 107 GLN HE2- 3.50 (# 1140:10 Unique 2.12, 3.38 A)
&rst
ixpk= 1140, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1794,1795,
igr2=1799,1800,
&end
#
# 107 GLN HA 107 GLN HE2- 5.50 (# 1142:10 Unique 2.97, 4.90 A)
&rst
ixpk= 1142, nxpk= 10, iat=1789, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1799,1800,
&end
#
# 0 AMB 10-2:1143 0 AMB 10-1:1143 4.50 (# 1143:10 Double Ambig)
&rst
ixpk= 1143, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=2075,2076,2077,2082,2083,2084,
igr2=1799,1800,1799,1800,
&end
#
# 103 LYS HG+ 107 GLN HE2+ 5.50 (# 1144:10 Unique 3.42, 5.98 A)
&rst
ixpk= 1144, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1725,1726,
igr2=1799,1800,
&end
#
# 107 GLN HG- 107 GLN HE2+ 3.50 (# 1147:10 Unique 2.12, 3.38 A)
&rst
ixpk= 1147, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1794,1795,
igr2=1799,1800,
&end
#
# 107 GLN HG+ 107 GLN HE2+ 4.50 (# 1148:10 Unique 2.12, 3.38 A)
&rst
ixpk= 1148, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1794,1795,
igr2=1799,1800,
&end
#
# 114 GLN HG+ 114 GLN HE2+ 3.50 (# 1152:10 Unique 2.12, 3.23 A)
&rst
ixpk= 1152, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1912,1913,
igr2=1917,1918,
&end
#
# 0 AMB 10-2:1156 114 GLN HE2- 5.50 (# 1156:10 Single Ambig)
&rst
ixpk= 1156, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1887,1888,1865,1866,
igr2=1917,1918,
&end
#
# 72 LYS HD- 38 TRP HE1 5.50 (# 1158:10 Unique 2.70, 4.25 A)
&rst
ixpk= 1158, nxpk= 10, iat= -1, 631, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1212,1213,
&end
#
# 37 LEU MDY 38 TRP HE1 6.50 (# 1159:10 Unique 7.32, 8.52 A)
&rst
ixpk= 1159, nxpk= 10, iat= -1, 631, r1= 0.00, r2= 1.80, r3= 8.76, r4= 9.51,
igr1= 611, 612, 613, 615, 616, 617,
&end
#
# 36 LYS HG+ 38 TRP HE1 4.50 (# 1161:10 Unique 2.60, 3.81 A)
&rst
ixpk= 1161, nxpk= 10, iat= -1, 631, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 587, 588,
&end
#
# 36 LYS HD+ 38 TRP HE1 4.50 (# 1162:10 Unique 1.96, 4.35 A)
&rst
ixpk= 1162, nxpk= 10, iat= -1, 631, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 590, 591,
&end
#
# 72 LYS HE- 38 TRP HE1 6.50 (# 1164:10 Unique 2.12, 4.58 A)
&rst
ixpk= 1164, nxpk= 10, iat= -1, 631, r1= 0.00, r2= 1.80, r3= 7.30, r4= 8.05,
igr1=1215,1216,
&end
#
# 38 TRP HD1 38 TRP HE1 2.80 (# 1167:10 Unique 2.57, 2.57 A)
&rst
ixpk= 1167, nxpk= 10, iat= 629, 631, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 25 LEU MDX 48 PHE HN 6.50 (# 1175:10 Unique 2.17, 4.88 A)
&rst
ixpk= 1175, nxpk= 10, iat= -1, 793, r1= 0.00, r2= 1.80, r3= 8.76, r4= 9.51,
igr1= 390, 391, 392, 394, 395, 396,
&end
#
# 48 PHE HA 51 ASP HN 5.50 (# 1178:10 Unique 3.40, 4.59 A)
&rst
ixpk= 1178, nxpk= 10, iat= 795, 845, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 61 LEU MDY 66 VAL HN 5.50 (# 1184:10 Unique 2.35, 5.25 A)
&rst
ixpk= 1184, nxpk= 10, iat= -1,1100, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1023,1024,1025,1027,1028,1029,
&end
#
# 107 GLN HN 109 LEU HN 5.50 (# 1188:10 Unique 4.47, 4.95 A)
&rst
ixpk= 1188, nxpk= 10, iat=1787,1819, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 41 LEU HN 40 GLN HN 3.50 (# 1190:10 Unique 2.66, 2.79 A)
&rst
ixpk= 1190, nxpk= 10, iat= 682, 665, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 39 PHE HD 40 GLN HN 4.50 (# 1191:10 Unique 3.76, 4.63 A)
&rst
ixpk= 1191, nxpk= 10, iat= -1, 665, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 653, 661,
&end
#
# 39 PHE HB- 40 GLN HN 3.50 (# 1193:10 Unique 1.91, 2.65 A)
&rst
ixpk= 1193, nxpk= 10, iat= -1, 665, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 649, 650,
&end
#
# 40 GLN HG- 40 GLN HN 3.50 (# 1194:10 Unique 1.98, 2.54 A)
&rst
ixpk= 1194, nxpk= 10, iat= -1, 665, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 672, 673,
&end
#
# 40 GLN HG+ 40 GLN HN 3.50 (# 1195:10 Unique 1.98, 2.54 A)
&rst
ixpk= 1195, nxpk= 10, iat= -1, 665, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 672, 673,
&end
#
# 119 SER HB- 120 LYS HN 4.50 (# 1196:10 Unique 2.39, 3.91 A)
&rst
ixpk= 1196, nxpk= 10, iat= -1,1992, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1985,1986,
&end
#
# 10 ILE QD1 64 ASN HD2+ 4.50 (# 1240:10 Unique 1.91, 3.59 A)
&rst
ixpk= 1240, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 159, 160, 161,
igr2=1075,1076,
&end
#
# 60 ARG HB+ 64 ASN HD2+ 6.50 (# 1241:10 Unique 5.63, 7.52 A)
&rst
ixpk= 1241, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.19, r4= 8.94,
igr1= 994, 995,
igr2=1075,1076,
&end
#
# 64 ASN HB- 64 ASN HD2+ 3.50 (# 1242:10 Unique 2.12, 3.32 A)
&rst
ixpk= 1242, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1070,1071,
igr2=1075,1076,
&end
#
# 64 ASN HN 64 ASN HD2+ 4.50 (# 1244:10 Unique 2.12, 3.55 A)
&rst
ixpk= 1244, nxpk= 10, iat=1066, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1075,1076,
&end
#
# 10 ILE QD1 64 ASN HD2- 4.50 (# 1246:10 Unique 1.91, 3.59 A)
&rst
ixpk= 1246, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 159, 160, 161,
igr2=1075,1076,
&end
#
# 0 AMB 10-2:1247 64 ASN HD2- 6.50 (# 1247:10 Single Ambig)
&rst
ixpk= 1247, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.19, r4= 9.94,
igr1= 994, 995, 997, 998,
igr2=1075,1076,
&end
#
# 65 PHE HB- 64 ASN HD2- 4.50 (# 1248:10 Unique 4.80, 6.25 A)
&rst
ixpk= 1248, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1084,1085,
igr2=1075,1076,
&end
#
# 63 ASP HB- 64 ASN HD2- 5.50 (# 1249:10 Unique 1.94, 4.30 A)
&rst
ixpk= 1249, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1058,1059,
igr2=1075,1076,
&end
#
# 114 GLN HB- 114 GLN HN 3.50 (# 1284:10 Unique 2.23, 3.20 A)
&rst
ixpk= 1284, nxpk= 10, iat= -1,1905, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1909,1910,
&end
#
# 0 AMB 10-2:1285 3 ASN HN 4.50 (# 1285:10 Single Ambig)
&rst
ixpk= 1285, nxpk= 10, iat= -1, 41, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 23, 43,
&end
#
# 0 AMB 10-2:1286 4 ASN HN 4.50 (# 1286:10 Single Ambig)
&rst
ixpk= 1286, nxpk= 10, iat= -1, 55, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 43, 57,
&end
#
# 4 ASN HA 5 HIS HN 5.50 (# 1287:10 Unique 2.16, 2.78 A)
&rst
ixpk= 1287, nxpk= 10, iat= 57, 69, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 5 HIS HB- 5 HIS HN 5.50 (# 1288:10 Unique 2.11, 3.30 A)
&rst
ixpk= 1288, nxpk= 10, iat= -1, 69, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 73, 74,
&end
#
# 0 AMB 10-2:1289 6 GLU HN 3.50 (# 1289:10 Single Ambig)
&rst
ixpk= 1289, nxpk= 10, iat= -1, 86, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 93, 94, 11, 12,
&end
#
# 0 AMB 10-2:1294 0 AMB 10-1:1294 5.50 (# 1294:10 Double Ambig)
&rst
ixpk= 1294, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2014, 101,
igr2=1981, 132,
&end
#
# 0 AMB 10-2:1295 9 THR HN 5.50 (# 1295:10 Single Ambig)
&rst
ixpk= 1295, nxpk= 10, iat= -1, 132, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 165, 184,
&end
#
# 0 AMB 10-2:1296 10 ILE HN 6.50 (# 1296:10 Single Ambig)
&rst
ixpk= 1296, nxpk= 10, iat= -1, 146, r1= 0.00, r2= 1.80, r3= 7.30, r4= 8.05,
igr1= 186, 197,
&end
#
# 0 AMB 10-2:1297 11 LEU HN 4.50 (# 1297:10 Single Ambig)
&rst
ixpk= 1297, nxpk= 10, iat= -1, 165, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
igr1= 218, 219, 220, 222, 223, 224, 218, 219, 220, 222,
223, 224, 159, 160, 161,
&end
#
# 11 LEU HB+ 11 LEU HN 3.50 (# 1298:10 Unique 2.04, 2.65 A)
&rst
ixpk= 1298, nxpk= 10, iat= -1, 165, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 169, 170,
&end
#
# 0 AMB 10-2:1299 11 LEU HN 4.50 (# 1299:10 Single Ambig)
&rst
ixpk= 1299, nxpk= 10, iat= -1, 165, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 103, 188, 189,
&end
#
# 9 THR HA 13 THR HN 4.50 (# 1302:10 Unique 3.33, 4.08 A)
&rst
ixpk= 1302, nxpk= 10, iat= 134, 195, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 17 GLU HG+ 16 MET HN 5.50 (# 1303:10 Unique 3.67, 4.42 A)
&rst
ixpk= 1303, nxpk= 10, iat= -1, 252, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 276, 277,
&end
#
# 23 HIS HN 21 SER HN 5.50 (# 1304:10 Unique 2.34, 3.15 A)
&rst
ixpk= 1304, nxpk= 10, iat= 350, 320, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 21 SER HB+ 22 LEU HN 5.50 (# 1305:10 Unique 2.64, 3.43 A)
&rst
ixpk= 1305, nxpk= 10, iat= -1, 331, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 324, 325,
&end
#
# 21 SER HA 22 LEU HN 6.50 (# 1306:10 Unique 3.42, 3.48 A)
&rst
ixpk= 1306, nxpk= 10, iat= 322, 331, r1= 0.00, r2= 1.80, r3= 6.50, r4= 7.25, &end
#
# 21 SER HN 23 HIS HN 5.50 (# 1307:10 Unique 2.34, 3.15 A)
&rst
ixpk= 1307, nxpk= 10, iat= 320, 350, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 26 PHE HN 23 HIS HN 5.50 (# 1308:10 Unique 4.87, 5.15 A)
&rst
ixpk= 1308, nxpk= 10, iat= 400, 350, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1309 23 HIS HN 4.50 (# 1309:10 Single Ambig)
&rst
ixpk= 1309, nxpk= 10, iat= -1, 350, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 335, 336, 385, 386, 313, 314,
&end
#
# 0 AMB 10-2:1312 25 LEU HN 4.50 (# 1312:10 Single Ambig)
&rst
ixpk= 1312, nxpk= 10, iat= -1, 381, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 371, 372, 427, 428, 442, 443,
&end
#
# 25 LEU HA 26 PHE HN 6.50 (# 1313:10 Unique 3.56, 3.57 A)
&rst
ixpk= 1313, nxpk= 10, iat= 383, 400, r1= 0.00, r2= 1.80, r3= 6.50, r4= 7.25, &end
#
# 26 PHE HD 26 PHE HN 6.50 (# 1314:10 Unique 3.41, 4.05 A)
&rst
ixpk= 1314, nxpk= 10, iat= -1, 400, r1= 0.00, r2= 1.80, r3= 7.30, r4= 8.05,
igr1= 408, 416,
&end
#
# 25 LEU HA 29 PHE HN 6.50 (# 1316:10 Unique 4.57, 4.67 A)
&rst
ixpk= 1316, nxpk= 10, iat= 383, 452, r1= 0.00, r2= 1.80, r3= 6.50, r4= 7.25, &end
#
# 36 LYS HN 34 GLU HN 6.50 (# 1317:10 Unique 4.09, 4.96 A)
&rst
ixpk= 1317, nxpk= 10, iat= 580, 550, r1= 0.00, r2= 1.80, r3= 6.50, r4= 7.25, &end
#
# 34 GLU HB- 35 GLU HN 3.50 (# 1318:10 Unique 2.06, 3.90 A)
&rst
ixpk= 1318, nxpk= 10, iat= -1, 565, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 554, 555,
&end
#
# 35 GLU HB- 36 LYS HN 4.50 (# 1320:10 Unique 1.88, 2.72 A)
&rst
ixpk= 1320, nxpk= 10, iat= -1, 580, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 569, 570,
&end
#
# 35 GLU HG- 36 LYS HN 6.50 (# 1322:10 Unique 3.70, 4.45 A)
&rst
ixpk= 1322, nxpk= 10, iat= -1, 580, r1= 0.00, r2= 1.80, r3= 7.30, r4= 8.05,
igr1= 572, 573,
&end
#
# 39 PHE HN 40 GLN HN 5.50 (# 1324:10 Unique 2.86, 3.06 A)
&rst
ixpk= 1324, nxpk= 10, iat= 645, 665, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 15 ARG HD+ 15 ARG HE 5.50 (# 1327:10 Unique 2.27, 2.65 A)
&rst
ixpk= 1327, nxpk= 10, iat= -1, 241, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 238, 239,
&end
#
# 15 ARG HD- 15 ARG HE 5.50 (# 1328:10 Unique 2.27, 2.65 A)
&rst
ixpk= 1328, nxpk= 10, iat= -1, 241, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 238, 239,
&end
#
# 45 LEU HN 42 SER HN 5.50 (# 1329:10 Unique 4.40, 4.59 A)
&rst
ixpk= 1329, nxpk= 10, iat= 738, 701, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 40 GLN HN 42 SER HN 5.50 (# 1330:10 Unique 4.03, 4.25 A)
&rst
ixpk= 1330, nxpk= 10, iat= 665, 701, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 41 LEU HB+ 42 SER HN 4.50 (# 1332:10 Unique 2.81, 3.55 A)
&rst
ixpk= 1332, nxpk= 10, iat= -1, 701, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 686, 687,
&end
#
# 0 AMB 10-2:1333 42 SER HN 3.50 (# 1333:10 Single Ambig)
&rst
ixpk= 1333, nxpk= 10, iat= -1, 701, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 647, 684,
&end
#
# 0 AMB 10-2:1334 43 GLU HN 6.50 (# 1334:10 Single Ambig)
&rst
ixpk= 1334, nxpk= 10, iat= -1, 712, r1= 0.00, r2= 1.80, r3= 9.37, r4=10.12,
igr1= 763, 764, 765, 691, 692, 693, 695, 696, 697,
&end
#
# 44 SER HB+ 44 SER HN 3.50 (# 1335:10 Unique 2.08, 2.87 A)
&rst
ixpk= 1335, nxpk= 10, iat= -1, 727, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 731, 732,
&end
#
# 46 THR HN 47 LYS HN 3.50 (# 1336:10 Unique 2.15, 2.31 A)
&rst
ixpk= 1336, nxpk= 10, iat= 757, 771, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:1337 47 LYS HN 3.50 (# 1337:10 Single Ambig)
&rst
ixpk= 1337, nxpk= 10, iat= -1, 771, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 773, 714,
&end
#
# 46 THR HA 47 LYS HN 5.50 (# 1338:10 Unique 3.37, 3.43 A)
&rst
ixpk= 1338, nxpk= 10, iat= 759, 771, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 47 LYS HG- 47 LYS HN 3.50 (# 1340:10 Unique 1.97, 3.62 A)
&rst
ixpk= 1340, nxpk= 10, iat= -1, 771, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 778, 779,
&end
#
# 48 PHE HA 48 PHE HN 4.50 (# 1341:10 Unique 2.76, 2.83 A)
&rst
ixpk= 1341, nxpk= 10, iat= 795, 793, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 48 PHE HB+ 48 PHE HN 4.50 (# 1342:10 Unique 2.07, 2.89 A)
&rst
ixpk= 1342, nxpk= 10, iat= -1, 793, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 797, 798,
&end
#
# 48 PHE HB- 49 PHE HN 5.50 (# 1344:10 Unique 2.17, 3.62 A)
&rst
ixpk= 1344, nxpk= 10, iat= -1, 813, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 797, 798,
&end
#
# 48 PHE HA 49 PHE HN 5.50 (# 1345:10 Unique 2.37, 3.32 A)
&rst
ixpk= 1345, nxpk= 10, iat= 795, 813, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 46 THR MG2 50 ASP HN 6.50 (# 1346:10 Unique 3.58, 5.83 A)
&rst
ixpk= 1346, nxpk= 10, iat= -1, 833, r1= 0.00, r2= 1.80, r3= 7.81, r4= 8.56,
igr1= 763, 764, 765,
&end
#
# 51 ASP HB- 50 ASP HN 5.50 (# 1347:10 Unique 4.17, 5.44 A)
&rst
ixpk= 1347, nxpk= 10, iat= -1, 833, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 849, 850,
&end
#
# 0 AMB 10-2:1351 59 LEU HN 5.50 (# 1351:10 Single Ambig)
&rst
ixpk= 1351, nxpk= 10, iat= -1, 971, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 928,1014,
&end
#
# 59 LEU HA 59 LEU HN 3.50 (# 1352:10 Unique 2.68, 2.73 A)
&rst
ixpk= 1352, nxpk= 10, iat= 973, 971, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 58 ARG HA 59 LEU HN 5.50 (# 1353:10 Unique 3.34, 3.42 A)
&rst
ixpk= 1353, nxpk= 10, iat= 949, 971, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1357 60 ARG HN 3.50 (# 1357:10 Single Ambig)
&rst
ixpk= 1357, nxpk= 10, iat= -1, 990, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1014, 928,
&end
#
# 60 ARG HN 61 LEU HN 4.50 (# 1360:10 Unique 2.70, 2.85 A)
&rst
ixpk= 1360, nxpk= 10, iat= 990,1014, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 59 LEU HA 62 TYR HN 5.50 (# 1363:10 Unique 3.34, 3.57 A)
&rst
ixpk= 1363, nxpk= 10, iat= 973,1033, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 59 LEU MDY 63 ASP HN 6.50 (# 1364:10 Unique 3.99, 6.55 A)
&rst
ixpk= 1364, nxpk= 10, iat= -1,1054, r1= 0.00, r2= 1.80, r3= 8.76, r4= 9.51,
igr1= 980, 981, 982, 984, 985, 986,
&end
#
# 63 ASP HA 64 ASN HN 6.50 (# 1365:10 Unique 3.49, 3.56 A)
&rst
ixpk= 1365, nxpk= 10, iat=1056,1066, r1= 0.00, r2= 1.80, r3= 6.50, r4= 7.25, &end
#
# 67 SER HB+ 67 SER HN 4.50 (# 1366:10 Unique 2.07, 2.73 A)
&rst
ixpk= 1366, nxpk= 10, iat= -1,1116, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1120,1121,
&end
#
# 69 PHE HN 68 LYS HN 3.50 (# 1367:10 Unique 2.24, 2.59 A)
&rst
ixpk= 1367, nxpk= 10, iat=1149,1127, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 68 LYS HB- 69 PHE HN 5.50 (# 1369:10 Unique 2.81, 4.37 A)
&rst
ixpk= 1369, nxpk= 10, iat= -1,1149, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1131,1132,
&end
#
# 0 AMB 10-2:1370 69 PHE HN 4.50 (# 1370:10 Single Ambig)
&rst
ixpk= 1370, nxpk= 10, iat= -1,1149, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1173,1174,1140,1141,
&end
#
# 71 ASP HN 73 ILE HN 5.50 (# 1372:10 Unique 3.70, 4.18 A)
&rst
ixpk= 1372, nxpk= 10, iat=1190,1224, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 74 ASN HN 73 ILE HN 5.50 (# 1373:10 Unique 3.34, 4.32 A)
&rst
ixpk= 1373, nxpk= 10, iat=1243,1224, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 76 LEU HG 75 GLN HN 5.50 (# 1375:10 Unique 4.14, 4.82 A)
&rst
ixpk= 1375, nxpk= 10, iat=1281,1257, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 75 GLN HB- 75 GLN HN 5.50 (# 1376:10 Unique 2.06, 2.96 A)
&rst
ixpk= 1376, nxpk= 10, iat= -1,1257, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1261,1262,
&end
#
# 75 GLN HG+ 75 GLN HN 6.50 (# 1378:10 Unique 1.92, 3.26 A)
&rst
ixpk= 1378, nxpk= 10, iat= -1,1257, r1= 0.00, r2= 1.80, r3= 7.30, r4= 8.05,
igr1=1264,1265,
&end
#
# 74 ASN HA 75 GLN HN 4.50 (# 1379:10 Unique 2.14, 2.15 A)
&rst
ixpk= 1379, nxpk= 10, iat=1245,1257, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 89 SER HB- 90 LYS HN 4.50 (# 1389:10 Unique 1.95, 3.08 A)
&rst
ixpk= 1389, nxpk= 10, iat= -1,1502, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1495,1496,
&end
#
# 98 TYR HN 96 LEU HN 4.50 (# 1390:10 Unique 3.88, 4.21 A)
&rst
ixpk= 1390, nxpk= 10, iat=1635,1594, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 96 LEU HA 96 LEU HN 3.50 (# 1391:10 Unique 2.76, 2.81 A)
&rst
ixpk= 1391, nxpk= 10, iat=1596,1594, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 97 LYS HG+ 97 LYS HN 3.50 (# 1393:10 Unique 1.96, 3.73 A)
&rst
ixpk= 1393, nxpk= 10, iat= -1,1613, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1620,1621,
&end
#
# 97 LYS HD- 97 LYS HN 5.50 (# 1394:10 Unique 1.93, 2.66 A)
&rst
ixpk= 1394, nxpk= 10, iat= -1,1613, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1623,1624,
&end
#
# 0 AMB 10-2:1395 97 LYS HN 5.50 (# 1395:10 Single Ambig)
&rst
ixpk= 1395, nxpk= 10, iat= -1,1613, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1601,1663,
&end
#
# 97 LYS HB- 98 TYR HN 5.50 (# 1396:10 Unique 2.37, 2.96 A)
&rst
ixpk= 1396, nxpk= 10, iat= -1,1635, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1617,1618,
&end
#
# 97 LYS HG- 98 TYR HN 5.50 (# 1397:10 Unique 3.70, 4.88 A)
&rst
ixpk= 1397, nxpk= 10, iat= -1,1635, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1620,1621,
&end
#
# 103 LYS HB+ 104 ALA HN 6.50 (# 1400:10 Unique 2.30, 3.17 A)
&rst
ixpk= 1400, nxpk= 10, iat= -1,1740, r1= 0.00, r2= 1.80, r3= 7.30, r4= 8.05,
igr1=1722,1723,
&end
#
# 107 GLN HG- 107 GLN HN 4.50 (# 1403:10 Unique 3.10, 4.05 A #push)
&rst
ixpk= 1403, nxpk= 10, iat= -1,1787, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1794,1795,
&end
#
# 120 LYS HB- 121 ASP HN 5.50 (# 1404:10 Unique 1.96, 3.87 A)
&rst
ixpk= 1404, nxpk= 10, iat= -1,2014, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1996,1997,
&end
#
# 112 LYS HD+ 112 LYS HN 4.50 (# 1407:10 Unique 2.82, 4.50 A)
&rst
ixpk= 1407, nxpk= 10, iat= -1,1861, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1871,1872,
&end
#
# 108 GLU HG+ 110 ASP HN 6.50 (# 1410:10 Unique 6.03, 6.35 A)
&rst
ixpk= 1410, nxpk= 10, iat= -1,1838, r1= 0.00, r2= 1.80, r3= 7.30, r4= 8.05,
igr1=1811,1812,
&end
#
# 64 ASN HB+ 64 ASN HN 4.50 (# 1435:10 Unique 2.75, 3.42 A)
&rst
ixpk= 1435, nxpk= 10, iat= -1,1066, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1070,1071,
&end
#
# 0 AMB 10-2:1436 82 LEU HN 5.50 (# 1436:10 Single Ambig)
&rst
ixpk= 1436, nxpk= 10, iat= -1,1379, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1360,1338,
&end
#
# 0 AMB 10-2:1460 43 GLU HN 4.50 (# 1460:10 Single Ambig)
&rst
ixpk= 1460, nxpk= 10, iat= -1, 712, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 684, 729,
&end
#
# 100 ASP HB+ 101 ASP HN 3.50 (# 1462:10 Unique 2.02, 2.96 A)
&rst
ixpk= 1462, nxpk= 10, iat= -1,1687, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1679,1680,
&end
#
# 1 MET HG- 1 MET HA 3.50 (# 1:20 Unique 2.08, 2.99 A)
&rst
ixpk= 1, nxpk= 20, iat= -1, 6, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
igr1= 11, 12,
&end
#
# 2 PHE HD 1 MET HA 5.50 (# 2:20 Unique 3.22, 6.06 A)
&rst
ixpk= 2, nxpk= 20, iat= -1, 6, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 29, 37,
&end
#
# 74 ASN HB- 74 ASN HA 3.50 (# 4:20 Unique 2.35, 2.81 A)
&rst
ixpk= 4, nxpk= 20, iat= -1,1245, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1247,1248,
&end
#
# 1 MET HG- 1 MET HB+ 4.50 (# 6:20 Unique 2.21, 2.67 A)
&rst
ixpk= 6, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 11, 12,
igr2= 8, 9,
&end
#
# 1 MET HA 1 MET HB+ 3.50 (# 7:20 Unique 2.42, 2.75 A)
&rst
ixpk= 7, nxpk= 20, iat= 6, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 8, 9,
&end
#
# 1 MET HA 1 MET HB- 3.50 (# 9:20 Unique 2.42, 2.75 A)
&rst
ixpk= 9, nxpk= 20, iat= 6, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 8, 9,
&end
#
# 1 MET HG- 1 MET HB- 3.50 (# 11:20 Unique 2.21, 2.67 A)
&rst
ixpk= 11, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 11, 12,
igr2= 8, 9,
&end
#
# 1 MET HA 1 MET HG+ 4.50 (# 14:20 Unique 2.08, 2.99 A)
&rst
ixpk= 14, nxpk= 20, iat= 6, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 11, 12,
&end
#
# 1 MET HA 1 MET HG- 4.50 (# 15:20 Unique 2.08, 2.99 A)
&rst
ixpk= 15, nxpk= 20, iat= 6, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 11, 12,
&end
#
# 2 PHE HD 2 PHE HA 3.50 (# 19:20 Unique 2.06, 3.77 A)
&rst
ixpk= 19, nxpk= 20, iat= -1, 23, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 29, 37,
&end
#
# 2 PHE HB+ 2 PHE HA 3.50 (# 20:20 Unique 2.23, 2.61 A)
&rst
ixpk= 20, nxpk= 20, iat= -1, 23, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 25, 26,
&end
#
# 2 PHE HB- 2 PHE HA 3.50 (# 21:20 Unique 2.23, 2.61 A)
&rst
ixpk= 21, nxpk= 20, iat= -1, 23, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 25, 26,
&end
#
# 7 ILE QD1 2 PHE HB- 6.50 (# 22:20 Unique 1.94, 6.47 A)
&rst
ixpk= 22, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.76, r4= 9.51,
igr1= 114, 115, 116,
igr2= 25, 26,
&end
#
# 2 PHE HA 2 PHE HB- 3.50 (# 23:20 Unique 2.23, 2.61 A)
&rst
ixpk= 23, nxpk= 20, iat= 23, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 25, 26,
&end
#
# 2 PHE HD 2 PHE HB- 3.50 (# 24:20 Unique 2.28, 3.04 A)
&rst
ixpk= 24, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 29, 37,
igr2= 25, 26,
&end
#
# 2 PHE HD 2 PHE HB+ 3.50 (# 25:20 Unique 2.28, 3.04 A)
&rst
ixpk= 25, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 29, 37,
igr2= 25, 26,
&end
#
# 2 PHE HA 2 PHE HB+ 4.50 (# 26:20 Unique 2.23, 2.61 A)
&rst
ixpk= 26, nxpk= 20, iat= 23, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 25, 26,
&end
#
# 3 ASN HB+ 3 ASN HA 3.50 (# 27:20 Unique 2.26, 2.71 A)
&rst
ixpk= 27, nxpk= 20, iat= -1, 43, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 45, 46,
&end
#
# 4 ASN HA 4 ASN HB- 5.50 (# 32:20 Unique 2.31, 2.63 A)
&rst
ixpk= 32, nxpk= 20, iat= 57, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 59, 60,
&end
#
# 5 HIS HB- 5 HIS HA 3.50 (# 33:20 Unique 2.37, 2.81 A)
&rst
ixpk= 33, nxpk= 20, iat= -1, 71, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 73, 74,
&end
#
# 5 HIS HB+ 5 HIS HA 3.50 (# 34:20 Unique 2.37, 2.81 A)
&rst
ixpk= 34, nxpk= 20, iat= -1, 71, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 73, 74,
&end
#
# 5 HIS HA 5 HIS HB+ 3.50 (# 35:20 Unique 2.37, 2.81 A)
&rst
ixpk= 35, nxpk= 20, iat= 71, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 73, 74,
&end
#
# 5 HIS HA 5 HIS HB- 3.50 (# 36:20 Unique 2.37, 2.81 A)
&rst
ixpk= 36, nxpk= 20, iat= 71, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 73, 74,
&end
#
# 5 HIS HD2 5 HIS HB+ 4.50 (# 37:20 Unique 2.69, 3.33 A)
&rst
ixpk= 37, nxpk= 20, iat= 82, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 73, 74,
&end
#
# 5 HIS HD2 5 HIS HB- 4.50 (# 38:20 Unique 2.69, 3.33 A)
&rst
ixpk= 38, nxpk= 20, iat= 82, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 73, 74,
&end
#
# 6 GLU HB+ 6 GLU HA 3.50 (# 43:20 Unique 2.29, 2.69 A)
&rst
ixpk= 43, nxpk= 20, iat= -1, 88, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 90, 91,
&end
#
# 6 GLU HG+ 6 GLU HA 3.50 (# 44:20 Unique 2.38, 3.25 A)
&rst
ixpk= 44, nxpk= 20, iat= -1, 88, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 93, 94,
&end
#
# 6 GLU HG- 6 GLU HA 3.50 (# 45:20 Unique 2.38, 3.25 A)
&rst
ixpk= 45, nxpk= 20, iat= -1, 88, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 93, 94,
&end
#
# 59 LEU MDY 59 LEU HA 4.50 (# 47:20 Unique 1.98, 3.81 A)
&rst
ixpk= 47, nxpk= 20, iat= -1, 973, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 980, 981, 982, 984, 985, 986,
&end
#
# 6 GLU HA 6 GLU HB+ 3.50 (# 50:20 Unique 2.29, 2.69 A)
&rst
ixpk= 50, nxpk= 20, iat= 88, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 90, 91,
&end
#
# 6 GLU HG+ 6 GLU HB+ 2.80 (# 51:20 Unique 2.21, 2.65 A)
&rst
ixpk= 51, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 93, 94,
igr2= 90, 91,
&end
#
# 6 GLU HA 6 GLU HG- 3.50 (# 54:20 Unique 2.38, 3.25 A)
&rst
ixpk= 54, nxpk= 20, iat= 88, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 93, 94,
&end
#
# 27 GLU HA 27 GLU HG+ 3.50 (# 55:20 Unique 2.11, 3.06 A)
&rst
ixpk= 55, nxpk= 20, iat= 422, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 427, 428,
&end
#
# 6 GLU HA 6 GLU HG+ 3.50 (# 59:20 Unique 2.38, 3.25 A)
&rst
ixpk= 59, nxpk= 20, iat= 88, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 93, 94,
&end
#
# 10 ILE HB 7 ILE HA 5.50 (# 63:20 Unique 2.50, 2.72 A)
&rst
ixpk= 63, nxpk= 20, iat= 150, 103, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:64 0 AMB 20-1:64 4.50 (# 64:20 Double Ambig)
&rst
ixpk= 64, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 105, 313, 314,
igr2= 103, 324, 325,
&end
#
# 7 ILE HG1+ 7 ILE HA 4.50 (# 65:20 Unique 2.10, 3.31 A)
&rst
ixpk= 65, nxpk= 20, iat= -1, 103, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 111, 112,
&end
#
# 10 ILE QD1 7 ILE HA 3.50 (# 66:20 Unique 2.89, 4.13 A)
&rst
ixpk= 66, nxpk= 20, iat= -1, 103, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 159, 160, 161,
&end
#
# 7 ILE QG2 7 ILE HA 3.50 (# 67:20 Unique 2.31, 3.13 A)
&rst
ixpk= 67, nxpk= 20, iat= -1, 103, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 107, 108, 109,
&end
#
# 7 ILE QG2 7 ILE HB 3.50 (# 68:20 Unique 2.22, 2.63 A)
&rst
ixpk= 68, nxpk= 20, iat= -1, 105, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 107, 108, 109,
&end
#
# 7 ILE HG1+ 7 ILE HB 4.50 (# 69:20 Unique 2.33, 2.48 A)
&rst
ixpk= 69, nxpk= 20, iat= -1, 105, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 111, 112,
&end
#
# 7 ILE HG1- 7 ILE HB 4.50 (# 70:20 Unique 2.33, 2.48 A)
&rst
ixpk= 70, nxpk= 20, iat= -1, 105, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 111, 112,
&end
#
# 7 ILE HA 7 ILE HB 4.50 (# 71:20 Unique 2.97, 3.02 A)
&rst
ixpk= 71, nxpk= 20, iat= 103, 105, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 40 GLN HA 43 GLU HG- 4.50 (# 72:20 Unique 1.98, 2.93 A)
&rst
ixpk= 72, nxpk= 20, iat= 667, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 719, 720,
&end
#
# 43 GLU HA 43 GLU HG- 3.50 (# 73:20 Unique 2.56, 3.32 A)
&rst
ixpk= 73, nxpk= 20, iat= 714, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 719, 720,
&end
#
# 7 ILE QD1 7 ILE HG1- 3.50 (# 76:20 Unique 2.22, 2.62 A)
&rst
ixpk= 76, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 114, 115, 116,
igr2= 111, 112,
&end
#
# 7 ILE QD1 7 ILE HG1+ 3.50 (# 77:20 Unique 2.22, 2.62 A)
&rst
ixpk= 77, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 114, 115, 116,
igr2= 111, 112,
&end
#
# 7 ILE HA 7 ILE HG1- 4.50 (# 80:20 Unique 2.10, 3.31 A)
&rst
ixpk= 80, nxpk= 20, iat= 103, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 111, 112,
&end
#
# 7 ILE HA 7 ILE HG1+ 4.50 (# 81:20 Unique 2.10, 3.31 A)
&rst
ixpk= 81, nxpk= 20, iat= 103, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 111, 112,
&end
#
# 0 AMB 20-2:86 0 AMB 20-1:86 3.50 (# 86:20 Double Ambig)
&rst
ixpk= 86, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1140,1141, 59, 60,1140,1141,
igr2=1137,1138, 111, 112,
&end
#
# 7 ILE HG1+ 7 ILE QD1 3.50 (# 87:20 Unique 2.22, 2.62 A)
&rst
ixpk= 87, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 111, 112,
igr2= 114, 115, 116,
&end
#
# 7 ILE HG1- 7 ILE QD1 3.50 (# 88:20 Unique 2.22, 2.62 A)
&rst
ixpk= 88, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 111, 112,
igr2= 114, 115, 116,
&end
#
# 10 ILE HB 7 ILE QD1 5.50 (# 89:20 Unique 3.80, 5.24 A)
&rst
ixpk= 89, nxpk= 20, iat= 150, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 114, 115, 116,
&end
#
# 6 GLU HB+ 7 ILE QD1 4.50 (# 90:20 Unique 3.31, 5.21 A)
&rst
ixpk= 90, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 90, 91,
igr2= 114, 115, 116,
&end
#
# 6 GLU HG+ 7 ILE QD1 5.50 (# 91:20 Unique 2.74, 6.87 A)
&rst
ixpk= 91, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 93, 94,
igr2= 114, 115, 116,
&end
#
# 7 ILE HB 7 ILE QD1 3.50 (# 92:20 Unique 2.31, 3.86 A)
&rst
ixpk= 92, nxpk= 20, iat= 105, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 114, 115, 116,
&end
#
# 68 LYS HE+ 7 ILE QD1 4.50 (# 93:20 Unique 2.04, 4.03 A)
&rst
ixpk= 93, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1140,1141,
igr2= 114, 115, 116,
&end
#
# 7 ILE HA 7 ILE QD1 3.50 (# 94:20 Unique 1.97, 3.03 A)
&rst
ixpk= 94, nxpk= 20, iat= 103, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 114, 115, 116,
&end
#
# 0 AMB 20-2:97 7 ILE QD1 4.50 (# 97:20 Single Ambig)
&rst
ixpk= 97, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 539, 544, 50, 51,
igr2= 114, 115, 116,
&end
#
# 65 PHE HD 7 ILE QD1 4.50 (# 98:20 Unique 1.98, 4.38 A)
&rst
ixpk= 98, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1088,1096,
igr2= 114, 115, 116,
&end
#
# 2 PHE HD 7 ILE QD1 6.50 (# 99:20 Unique 2.16, 7.29 A)
&rst
ixpk= 99, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.76, r4= 9.51,
igr1= 29, 37,
igr2= 114, 115, 116,
&end
#
# 0 AMB 20-2:107 7 ILE QG2 4.50 (# 107:20 Single Ambig)
&rst
ixpk= 107, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 50, 51, 64, 65,
igr2= 107, 108, 109,
&end
#
# 11 LEU MDX 7 ILE QG2 4.50 (# 108:20 Unique 1.98, 5.45 A)
&rst
ixpk= 108, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 174, 175, 176, 178, 179, 180,
igr2= 107, 108, 109,
&end
#
# 11 LEU MDY 7 ILE QG2 3.50 (# 109:20 Unique 1.98, 5.45 A)
&rst
ixpk= 109, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 174, 175, 176, 178, 179, 180,
igr2= 107, 108, 109,
&end
#
# 0 AMB 20-2:110 7 ILE QG2 3.50 (# 110:20 Single Ambig)
&rst
ixpk= 110, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 111, 112, 169, 170,
igr2= 107, 108, 109,
&end
#
# 0 AMB 20-2:111 7 ILE QG2 3.50 (# 111:20 Single Ambig)
&rst
ixpk= 111, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 111, 112, 172,
igr2= 107, 108, 109,
&end
#
# 7 ILE HB 7 ILE QG2 3.50 (# 113:20 Unique 2.22, 2.63 A)
&rst
ixpk= 113, nxpk= 20, iat= 105, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 107, 108, 109,
&end
#
# 0 AMB 20-2:114 7 ILE QG2 4.50 (# 114:20 Single Ambig)
&rst
ixpk= 114, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 479, 480, 93, 94,
igr2= 107, 108, 109,
&end
#
# 8 ASP HB+ 7 ILE QG2 4.50 (# 115:20 Unique 3.96, 5.89 A)
&rst
ixpk= 115, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 124, 125,
igr2= 107, 108, 109,
&end
#
# 0 AMB 20-2:116 7 ILE QG2 5.50 (# 116:20 Single Ambig)
&rst
ixpk= 116, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 59, 60,1140,1141,
igr2= 107, 108, 109,
&end
#
# 7 ILE HA 7 ILE QG2 3.50 (# 117:20 Unique 2.31, 3.13 A)
&rst
ixpk= 117, nxpk= 20, iat= 103, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 107, 108, 109,
&end
#
# 8 ASP HA 7 ILE QG2 4.50 (# 118:20 Unique 2.96, 4.44 A)
&rst
ixpk= 118, nxpk= 20, iat= 122, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 107, 108, 109,
&end
#
# 2 PHE HD 7 ILE QG2 6.50 (# 119:20 Unique 2.22, 5.99 A)
&rst
ixpk= 119, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.76, r4= 9.51,
igr1= 29, 37,
igr2= 107, 108, 109,
&end
#
# 8 ASP HB+ 8 ASP HA 2.80 (# 122:20 Unique 2.29, 2.69 A)
&rst
ixpk= 122, nxpk= 20, iat= -1, 122, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 124, 125,
&end
#
# 100 ASP HB+ 100 ASP HA 3.50 (# 123:20 Unique 2.33, 2.73 A)
&rst
ixpk= 123, nxpk= 20, iat= -1,1677, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1679,1680,
&end
#
# 7 ILE QG2 8 ASP HA 4.50 (# 124:20 Unique 2.96, 4.44 A)
&rst
ixpk= 124, nxpk= 20, iat= -1, 122, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 107, 108, 109,
&end
#
# 11 LEU MDY 8 ASP HA 4.50 (# 125:20 Unique 4.03, 6.22 A)
&rst
ixpk= 125, nxpk= 20, iat= -1, 122, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 174, 175, 176, 178, 179, 180,
&end
#
# 0 AMB 20-2:129 0 AMB 20-1:129 2.80 (# 129:20 Double Ambig)
&rst
ixpk= 129, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 122,1677,
igr2= 124, 125,1679,1680,
&end
#
# 97 LYS HA 100 ASP HB- 3.50 (# 130:20 Unique 2.22, 2.77 A)
&rst
ixpk= 130, nxpk= 20, iat=1615, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1679,1680,
&end
#
# 9 THR MG2 9 THR HA 3.50 (# 131:20 Unique 2.39, 3.19 A)
&rst
ixpk= 131, nxpk= 20, iat= -1, 134, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 138, 139, 140,
&end
#
# 9 THR HA 9 THR HB 3.50 (# 136:20 Unique 3.01, 3.02 A)
&rst
ixpk= 136, nxpk= 20, iat= 134, 136, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 9 THR MG2 9 THR HB 2.80 (# 137:20 Unique 2.23, 2.64 A)
&rst
ixpk= 137, nxpk= 20, iat= -1, 136, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 138, 139, 140,
&end
#
# 9 THR HB 9 THR MG2 2.80 (# 141:20 Unique 2.23, 2.64 A)
&rst
ixpk= 141, nxpk= 20, iat= 136, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 138, 139, 140,
&end
#
# 9 THR HA 9 THR MG2 3.50 (# 142:20 Unique 2.39, 3.19 A)
&rst
ixpk= 142, nxpk= 20, iat= 134, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 138, 139, 140,
&end
#
# 10 ILE HA 9 THR MG2 3.50 (# 143:20 Unique 3.40, 4.29 A)
&rst
ixpk= 143, nxpk= 20, iat= 148, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 138, 139, 140,
&end
#
# 8 ASP HB+ 9 THR MG2 5.50 (# 144:20 Unique 6.24, 7.36 A)
&rst
ixpk= 144, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 124, 125,
igr2= 138, 139, 140,
&end
#
# 6 GLU HG- 9 THR MG2 6.50 (# 145:20 Unique 5.81, 8.26 A)
&rst
ixpk= 145, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.76, r4= 9.51,
igr1= 93, 94,
igr2= 138, 139, 140,
&end
#
# 10 ILE HG1- 10 ILE HA 4.50 (# 148:20 Unique 2.07, 2.62 A)
&rst
ixpk= 148, nxpk= 20, iat= -1, 148, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 156, 157,
&end
#
# 0 AMB 20-2:149 10 ILE HA 5.50 (# 149:20 Single Ambig)
&rst
ixpk= 149, nxpk= 20, iat= -1, 148, r1= 0.00, r2= 1.80, r3= 8.64, r4= 9.39,
igr1= 218, 219, 220, 222, 223, 224, 218, 219, 220, 222,
223, 224, 159, 160, 161,
&end
#
# 0 AMB 20-2:150 0 AMB 20-1:150 4.50 (# 150:20 Double Ambig)
&rst
ixpk= 150, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 150, 921, 922,
igr2= 148,1495,1496,
&end
#
# 10 ILE HA 10 ILE HB 3.50 (# 155:20 Unique 2.89, 3.00 A)
&rst
ixpk= 155, nxpk= 20, iat= 148, 150, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 10 ILE HG1+ 10 ILE HB 4.50 (# 156:20 Unique 2.45, 2.77 A)
&rst
ixpk= 156, nxpk= 20, iat= -1, 150, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 156, 157,
&end
#
# 10 ILE QG2 10 ILE HB 3.50 (# 157:20 Unique 2.36, 2.63 A)
&rst
ixpk= 157, nxpk= 20, iat= -1, 150, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 152, 153, 154,
&end
#
# 10 ILE QD1 10 ILE HB 3.50 (# 158:20 Unique 2.11, 3.09 A)
&rst
ixpk= 158, nxpk= 20, iat= -1, 150, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 159, 160, 161,
&end
#
# 0 AMB 20-2:159 10 ILE HG1- 3.50 (# 159:20 Single Ambig)
&rst
ixpk= 159, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 159, 160, 161, 218, 219, 220, 222, 223, 224,
igr2= 156, 157,
&end
#
# 0 AMB 20-2:160 0 AMB 20-1:160 3.50 (# 160:20 Double Ambig)
&rst
ixpk= 160, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 159, 160, 161, 218, 219, 220, 222, 223, 224,
igr2= 156, 157, 156, 157,
&end
#
# 10 ILE HB 10 ILE HG1- 4.50 (# 161:20 Unique 2.45, 2.77 A)
&rst
ixpk= 161, nxpk= 20, iat= 150, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 156, 157,
&end
#
# 10 ILE HA 10 ILE HG1- 4.50 (# 162:20 Unique 2.07, 2.62 A)
&rst
ixpk= 162, nxpk= 20, iat= 148, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 156, 157,
&end
#
# 10 ILE HA 10 ILE HG1+ 4.50 (# 163:20 Unique 2.07, 2.62 A)
&rst
ixpk= 163, nxpk= 20, iat= 148, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 156, 157,
&end
#
# 0 AMB 20-2:171 0 AMB 20-1:171 3.50 (# 171:20 Double Ambig)
&rst
ixpk= 171, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=2204,2240, 88,
igr2=2196,2197,2198, 159, 160, 161,
&end
#
# 68 LYS HE+ 10 ILE QD1 4.50 (# 172:20 Unique 4.82, 6.04 A)
&rst
ixpk= 172, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1140,1141,
igr2= 159, 160, 161,
&end
#
# 10 ILE HG1+ 10 ILE QD1 3.50 (# 175:20 Unique 2.20, 2.62 A)
&rst
ixpk= 175, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 156, 157,
igr2= 159, 160, 161,
&end
#
# 10 ILE HB 10 ILE QD1 2.80 (# 176:20 Unique 2.11, 3.09 A)
&rst
ixpk= 176, nxpk= 20, iat= 150, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 159, 160, 161,
&end
#
# 10 ILE HG1- 10 ILE QD1 2.80 (# 177:20 Unique 2.20, 2.62 A)
&rst
ixpk= 177, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 156, 157,
igr2= 159, 160, 161,
&end
#
# 11 LEU MDX 10 ILE QG2 6.50 (# 178:20 Unique 2.26, 5.91 A)
&rst
ixpk= 178, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.52, r4=11.27,
igr1= 174, 175, 176, 178, 179, 180,
igr2= 152, 153, 154,
&end
#
# 61 LEU MDY 10 ILE QG2 4.50 (# 179:20 Unique 1.98, 4.53 A)
&rst
ixpk= 179, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1023,1024,1025,1027,1028,1029,
igr2= 152, 153, 154,
&end
#
# 10 ILE HG1- 10 ILE QG2 3.50 (# 180:20 Unique 2.50, 3.47 A)
&rst
ixpk= 180, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 156, 157,
igr2= 152, 153, 154,
&end
#
# 61 LEU HB- 10 ILE QG2 5.50 (# 182:20 Unique 1.99, 4.82 A)
&rst
ixpk= 182, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1018,1019,
igr2= 152, 153, 154,
&end
#
# 10 ILE HG1+ 10 ILE QG2 3.50 (# 183:20 Unique 2.50, 3.47 A)
&rst
ixpk= 183, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 156, 157,
igr2= 152, 153, 154,
&end
#
# 10 ILE HB 10 ILE QG2 3.50 (# 184:20 Unique 2.36, 2.63 A)
&rst
ixpk= 184, nxpk= 20, iat= 150, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 152, 153, 154,
&end
#
# 33 TYR HB- 10 ILE QG2 6.50 (# 187:20 Unique 7.88, 9.65 A)
&rst
ixpk= 187, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.76, r4= 9.51,
igr1= 533, 534,
igr2= 152, 153, 154,
&end
#
# 10 ILE HA 10 ILE QG2 3.50 (# 188:20 Unique 2.59, 3.27 A)
&rst
ixpk= 188, nxpk= 20, iat= 148, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 152, 153, 154,
&end
#
# 0 AMB 20-2:189 10 ILE QG2 4.50 (# 189:20 Single Ambig)
&rst
ixpk= 189, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1016, 167,
igr2= 152, 153, 154,
&end
#
# 65 PHE HA 10 ILE QG2 4.50 (# 191:20 Unique 4.66, 5.86 A)
&rst
ixpk= 191, nxpk= 20, iat=1082, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 152, 153, 154,
&end
#
# 65 PHE HD 10 ILE QG2 4.50 (# 192:20 Unique 1.96, 4.70 A)
&rst
ixpk= 192, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1088,1096,
igr2= 152, 153, 154,
&end
#
# 11 LEU MDX 11 LEU HA 4.50 (# 196:20 Unique 1.98, 3.18 A)
&rst
ixpk= 196, nxpk= 20, iat= -1, 167, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 174, 175, 176, 178, 179, 180,
&end
#
# 11 LEU HB- 11 LEU HA 3.50 (# 197:20 Unique 2.39, 2.82 A)
&rst
ixpk= 197, nxpk= 20, iat= -1, 167, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 169, 170,
&end
#
# 11 LEU HB+ 11 LEU HA 3.50 (# 198:20 Unique 2.39, 2.82 A)
&rst
ixpk= 198, nxpk= 20, iat= -1, 167, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 169, 170,
&end
#
# 11 LEU MDX 11 LEU HB+ 5.50 (# 199:20 Unique 2.14, 3.44 A)
&rst
ixpk= 199, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 174, 175, 176, 178, 179, 180,
igr2= 169, 170,
&end
#
# 11 LEU MDY 11 LEU HB+ 4.50 (# 200:20 Unique 2.14, 3.44 A)
&rst
ixpk= 200, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 174, 175, 176, 178, 179, 180,
igr2= 169, 170,
&end
#
# 11 LEU MDX 11 LEU HB- 4.50 (# 201:20 Unique 2.14, 3.44 A)
&rst
ixpk= 201, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 174, 175, 176, 178, 179, 180,
igr2= 169, 170,
&end
#
# 11 LEU MDY 11 LEU HB- 4.50 (# 202:20 Unique 2.14, 3.44 A)
&rst
ixpk= 202, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 174, 175, 176, 178, 179, 180,
igr2= 169, 170,
&end
#
# 11 LEU HA 11 LEU HB+ 4.50 (# 203:20 Unique 2.39, 2.82 A)
&rst
ixpk= 203, nxpk= 20, iat= 167, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 169, 170,
&end
#
# 0 AMB 20-2:204 0 AMB 20-1:204 4.50 (# 204:20 Double Ambig)
&rst
ixpk= 204, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1016, 167,
igr2=1018,1019, 169, 170,
&end
#
# 11 LEU MDX 11 LEU HG 4.50 (# 208:20 Unique 2.21, 2.63 A)
&rst
ixpk= 208, nxpk= 20, iat= -1, 172, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 174, 175, 176, 178, 179, 180,
&end
#
# 11 LEU MDY 11 LEU HG 4.50 (# 209:20 Unique 2.21, 2.63 A)
&rst
ixpk= 209, nxpk= 20, iat= -1, 172, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 174, 175, 176, 178, 179, 180,
&end
#
# 26 PHE HD 11 LEU MDX 4.50 (# 215:20 Unique 3.49, 6.67 A)
&rst
ixpk= 215, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 408, 416,
igr2= 174, 175, 176, 178, 179, 180,
&end
#
# 11 LEU HA 11 LEU MDX 3.50 (# 216:20 Unique 1.98, 3.18 A)
&rst
ixpk= 216, nxpk= 20, iat= 167, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 174, 175, 176, 178, 179, 180,
&end
#
# 11 LEU HB+ 11 LEU MDX 3.50 (# 219:20 Unique 2.14, 3.44 A)
&rst
ixpk= 219, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 169, 170,
igr2= 174, 175, 176, 178, 179, 180,
&end
#
# 11 LEU HG 11 LEU MDX 3.50 (# 220:20 Unique 2.21, 2.63 A)
&rst
ixpk= 220, nxpk= 20, iat= 172, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 174, 175, 176, 178, 179, 180,
&end
#
# 61 LEU MDY 11 LEU MDX 4.50 (# 223:20 Unique 2.60, 6.42 A)
&rst
ixpk= 223, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1023,1024,1025,1027,1028,1029,
igr2= 174, 175, 176, 178, 179, 180,
&end
#
# 10 ILE QG2 11 LEU MDX 5.50 (# 224:20 Unique 2.26, 5.91 A)
&rst
ixpk= 224, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 152, 153, 154,
igr2= 174, 175, 176, 178, 179, 180,
&end
#
# 26 PHE HD 11 LEU MDY 5.50 (# 230:20 Unique 3.49, 6.67 A)
&rst
ixpk= 230, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 408, 416,
igr2= 174, 175, 176, 178, 179, 180,
&end
#
# 11 LEU HA 11 LEU MDY 4.50 (# 232:20 Unique 1.98, 3.18 A)
&rst
ixpk= 232, nxpk= 20, iat= 167, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 174, 175, 176, 178, 179, 180,
&end
#
# 30 GLU HA 11 LEU MDY 4.50 (# 233:20 Unique 2.67, 4.53 A)
&rst
ixpk= 233, nxpk= 20, iat= 474, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 174, 175, 176, 178, 179, 180,
&end
#
# 11 LEU HB- 11 LEU MDY 3.50 (# 235:20 Unique 2.14, 3.44 A)
&rst
ixpk= 235, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 169, 170,
igr2= 174, 175, 176, 178, 179, 180,
&end
#
# 11 LEU HG 11 LEU MDY 3.50 (# 236:20 Unique 2.21, 2.63 A)
&rst
ixpk= 236, nxpk= 20, iat= 172, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 174, 175, 176, 178, 179, 180,
&end
#
# 11 LEU HB+ 11 LEU MDY 3.50 (# 237:20 Unique 2.14, 3.44 A)
&rst
ixpk= 237, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 169, 170,
igr2= 174, 175, 176, 178, 179, 180,
&end
#
# 30 GLU HG- 11 LEU MDY 4.50 (# 238:20 Unique 2.00, 4.92 A)
&rst
ixpk= 238, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 479, 480,
igr2= 174, 175, 176, 178, 179, 180,
&end
#
# 30 GLU HG+ 11 LEU MDY 4.50 (# 239:20 Unique 2.00, 4.92 A)
&rst
ixpk= 239, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 479, 480,
igr2= 174, 175, 176, 178, 179, 180,
&end
#
# 7 ILE QG2 11 LEU MDY 3.50 (# 244:20 Unique 1.98, 5.45 A)
&rst
ixpk= 244, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 107, 108, 109,
igr2= 174, 175, 176, 178, 179, 180,
&end
#
# 0 AMB 20-2:247 12 SER HA 4.50 (# 247:20 Single Ambig)
&rst
ixpk= 247, nxpk= 20, iat= -1, 186, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 232, 233, 169, 170,
&end
#
# 0 AMB 20-2:250 0 AMB 20-1:250 3.50 (# 250:20 Double Ambig)
&rst
ixpk= 250, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.06, r4= 6.81,
igr1= 114, 115, 116, 340, 341, 342, 344, 345, 346,
igr2= 103, 324, 325,
&end
#
# 0 AMB 20-2:253 13 THR HA 3.50 (# 253:20 Single Ambig)
&rst
ixpk= 253, nxpk= 20, iat= -1, 197, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 199, 211,
&end
#
# 16 MET ME 13 THR HA 4.50 (# 254:20 Unique 2.00, 3.79 A)
&rst
ixpk= 254, nxpk= 20, iat= -1, 197, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 263, 264, 265,
&end
#
# 16 MET HB+ 13 THR HA 4.50 (# 255:20 Unique 2.23, 3.75 A)
&rst
ixpk= 255, nxpk= 20, iat= -1, 197, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 256, 257,
&end
#
# 13 THR MG2 13 THR HA 3.50 (# 256:20 Unique 2.17, 3.10 A)
&rst
ixpk= 256, nxpk= 20, iat= -1, 197, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 201, 202, 203,
&end
#
# 16 MET HG- 13 THR HA 5.50 (# 257:20 Unique 1.95, 3.18 A)
&rst
ixpk= 257, nxpk= 20, iat= -1, 197, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 259, 260,
&end
#
# 0 AMB 20-2:260 13 THR HB 3.50 (# 260:20 Single Ambig)
&rst
ixpk= 260, nxpk= 20, iat= -1, 199, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 197, 188, 189,
&end
#
# 0 AMB 20-2:261 13 THR HB 2.80 (# 261:20 Single Ambig)
&rst
ixpk= 261, nxpk= 20, iat= -1, 199, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 201, 202, 203, 138, 139, 140,
&end
#
# 13 THR HA 13 THR MG2 3.50 (# 264:20 Unique 2.17, 3.10 A)
&rst
ixpk= 264, nxpk= 20, iat= 197, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 201, 202, 203,
&end
#
# 13 THR HB 13 THR MG2 2.80 (# 265:20 Unique 2.23, 2.64 A)
&rst
ixpk= 265, nxpk= 20, iat= 199, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 201, 202, 203,
&end
#
# 16 MET HG- 13 THR MG2 4.50 (# 266:20 Unique 2.75, 5.57 A)
&rst
ixpk= 266, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 259, 260,
igr2= 201, 202, 203,
&end
#
# 17 GLU HB- 13 THR MG2 3.50 (# 268:20 Unique 3.67, 5.13 A)
&rst
ixpk= 268, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 273, 274,
igr2= 201, 202, 203,
&end
#
# 16 MET HB+ 13 THR MG2 4.50 (# 269:20 Unique 3.58, 5.83 A)
&rst
ixpk= 269, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 256, 257,
igr2= 201, 202, 203,
&end
#
# 0 AMB 20-2:270 0 AMB 20-1:270 3.50 (# 270:20 Double Ambig)
&rst
ixpk= 270, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 218, 219, 220, 222, 223, 224,2116,2117,2118,2120,
2121,2122,
igr2= 211,2109,
&end
#
# 0 AMB 20-2:274 0 AMB 20-1:274 3.50 (# 274:20 Double Ambig)
&rst
ixpk= 274, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 216,2111,2112,
igr2= 211,2109,
&end
#
# 0 AMB 20-2:275 0 AMB 20-1:275 3.50 (# 275:20 Double Ambig)
&rst
ixpk= 275, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 871, 872,2114,
igr2= 869,2109,
&end
#
# 0 AMB 20-2:276 0 AMB 20-1:276 3.50 (# 276:20 Double Ambig)
&rst
ixpk= 276, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=2111,2112, 213, 214, 997, 998,2092,2093,
igr2=2109, 211,
&end
#
# 0 AMB 20-2:282 0 AMB 20-1:282 3.50 (# 282:20 Double Ambig)
&rst
ixpk= 282, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=2090, 211,2109,
igr2=2092,2093, 213, 214,2092,2093,
&end
#
# 0 AMB 20-2:285 0 AMB 20-1:285 2.80 (# 285:20 Double Ambig)
&rst
ixpk= 285, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
igr1=1828,1829,1830,1832,1833,1834, 218, 219, 220, 222,
223, 224, 218, 219, 220, 222, 223, 224,
igr2=1823,1824, 213, 214,
&end
#
# 0 AMB 20-2:288 14 LEU HG 2.80 (# 288:20 Single Ambig)
&rst
ixpk= 288, nxpk= 20, iat= -1, 216, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 218, 219, 220, 222, 223, 224, 218, 219, 220, 222,
223, 224,
&end
#
# 14 LEU HA 14 LEU HG 3.50 (# 291:20 Unique 2.12, 3.37 A)
&rst
ixpk= 291, nxpk= 20, iat= 211, 216, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:299 0 AMB 20-1:299 2.80 (# 299:20 Double Ambig)
&rst
ixpk= 299, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=1278,1279,2418,2419,2420,
igr2=1283,1284,1285,1287,1288,1289,2366,2367,2368,2370,
2371,2372,
&end
#
# 0 AMB 20-2:301 0 AMB 20-1:301 4.50 (# 301:20 Double Ambig)
&rst
ixpk= 301, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1=1247,1248,1639,1640,
igr2=1283,1284,1285,1287,1288,1289,1665,1666,1667,1669,
1670,1671,
&end
#
# 76 LEU HA 76 LEU MDX 4.50 (# 302:20 Unique 2.23, 4.22 A)
&rst
ixpk= 302, nxpk= 20, iat=1276, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1283,1284,1285,1287,1288,1289,
&end
#
# 0 AMB 20-2:303 0 AMB 20-1:303 2.80 (# 303:20 Double Ambig)
&rst
ixpk= 303, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=2462,2394,
igr2=2469,2470,2471,2473,2474,2475,2366,2367,2368,2370,
2371,2372,
&end
#
# 0 AMB 20-2:312 0 AMB 20-1:312 3.50 (# 312:20 Double Ambig)
&rst
ixpk= 312, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1791,1792,1617,1618,
igr2=1789,1615,
&end
#
# 0 AMB 20-2:313 0 AMB 20-1:313 3.50 (# 313:20 Double Ambig)
&rst
ixpk= 313, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1808,1809,1757,1758, 554, 555,
igr2=1752, 489,
&end
#
# 100 ASP HB- 97 LYS HA 3.50 (# 314:20 Unique 2.22, 2.77 A)
&rst
ixpk= 314, nxpk= 20, iat= -1,1615, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1679,1680,
&end
#
# 31 LYS HA 34 GLU HB+ 4.50 (# 321:20 Unique 2.61, 4.02 A)
&rst
ixpk= 321, nxpk= 20, iat= 489, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 554, 555,
&end
#
# 34 GLU HA 34 GLU HB+ 3.50 (# 322:20 Unique 2.26, 2.47 A)
&rst
ixpk= 322, nxpk= 20, iat= 552, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 554, 555,
&end
#
# 34 GLU HA 34 GLU HB- 3.50 (# 323:20 Unique 2.26, 2.47 A)
&rst
ixpk= 323, nxpk= 20, iat= 552, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 554, 555,
&end
#
# 0 AMB 20-2:325 114 GLN HB- 3.50 (# 325:20 Single Ambig)
&rst
ixpk= 325, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1907,1924,
igr2=1909,1910,
&end
#
# 16 MET HG- 16 MET HA 3.50 (# 329:20 Unique 2.38, 3.31 A)
&rst
ixpk= 329, nxpk= 20, iat= -1, 254, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 259, 260,
&end
#
# 16 MET HG+ 16 MET HA 4.50 (# 330:20 Unique 2.38, 3.31 A)
&rst
ixpk= 330, nxpk= 20, iat= -1, 254, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 259, 260,
&end
#
# 16 MET ME 16 MET HA 4.50 (# 331:20 Unique 4.26, 5.45 A)
&rst
ixpk= 331, nxpk= 20, iat= -1, 254, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 263, 264, 265,
&end
#
# 16 MET HB+ 16 MET HA 3.50 (# 332:20 Unique 2.31, 2.63 A)
&rst
ixpk= 332, nxpk= 20, iat= -1, 254, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 256, 257,
&end
#
# 18 ALA MB 16 MET HA 5.50 (# 333:20 Unique 4.69, 5.98 A)
&rst
ixpk= 333, nxpk= 20, iat= -1, 254, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 288, 289, 290,
&end
#
# 109 LEU MDX 109 LEU HA 3.50 (# 334:20 Unique 2.06, 4.64 A)
&rst
ixpk= 334, nxpk= 20, iat= -1,1821, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1828,1829,1830,1832,1833,1834,
&end
#
# 16 MET HA 16 MET HB+ 3.50 (# 335:20 Unique 2.31, 2.63 A)
&rst
ixpk= 335, nxpk= 20, iat= 254, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 256, 257,
&end
#
# 13 THR HA 16 MET HB+ 4.50 (# 336:20 Unique 2.23, 3.75 A)
&rst
ixpk= 336, nxpk= 20, iat= 197, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 256, 257,
&end
#
# 16 MET HA 16 MET HG+ 4.50 (# 341:20 Unique 2.38, 3.31 A)
&rst
ixpk= 341, nxpk= 20, iat= 254, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 259, 260,
&end
#
# 16 MET HA 16 MET HG- 4.50 (# 342:20 Unique 2.38, 3.31 A)
&rst
ixpk= 342, nxpk= 20, iat= 254, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 259, 260,
&end
#
# 13 THR HA 16 MET HG+ 4.50 (# 343:20 Unique 1.95, 3.18 A)
&rst
ixpk= 343, nxpk= 20, iat= 197, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 259, 260,
&end
#
# 13 THR HA 16 MET HG- 4.50 (# 344:20 Unique 1.95, 3.18 A)
&rst
ixpk= 344, nxpk= 20, iat= 197, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 259, 260,
&end
#
# 0 AMB 20-2:348 0 AMB 20-1:348 3.50 (# 348:20 Double Ambig)
&rst
ixpk= 348, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1912,1913, 276, 277,
igr2=1907, 271,
&end
#
# 17 GLU HG- 17 GLU HA 3.50 (# 349:20 Unique 2.64, 3.25 A)
&rst
ixpk= 349, nxpk= 20, iat= -1, 271, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 276, 277,
&end
#
# 0 AMB 20-2:350 0 AMB 20-1:350 3.50 (# 350:20 Double Ambig)
&rst
ixpk= 350, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 273, 274,1909,1910,
igr2= 271,1907,
&end
#
# 17 GLU HB+ 17 GLU HA 3.50 (# 351:20 Unique 2.31, 2.69 A)
&rst
ixpk= 351, nxpk= 20, iat= -1, 271, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 273, 274,
&end
#
# 17 GLU HA 17 GLU HB+ 3.50 (# 359:20 Unique 2.31, 2.69 A)
&rst
ixpk= 359, nxpk= 20, iat= 271, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 273, 274,
&end
#
# 17 GLU HA 17 GLU HB- 3.50 (# 360:20 Unique 2.31, 2.69 A)
&rst
ixpk= 360, nxpk= 20, iat= 271, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 273, 274,
&end
#
# 57 LEU MDY 17 GLU HB- 3.50 (# 361:20 Unique 2.06, 3.90 A)
&rst
ixpk= 361, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 937, 938, 939, 941, 942, 943,
igr2= 273, 274,
&end
#
# 79 VAL MGX 79 VAL HB 4.50 (# 362:20 Unique 2.22, 2.63 A)
&rst
ixpk= 362, nxpk= 20, iat= -1,1324, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1326,1327,1328,1330,1331,1332,
&end
#
# 97 LYS HA 97 LYS HB+ 3.50 (# 363:20 Unique 2.35, 2.80 A)
&rst
ixpk= 363, nxpk= 20, iat=1615, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1617,1618,
&end
#
# 57 LEU MDY 17 GLU HG+ 5.50 (# 364:20 Unique 3.16, 5.69 A)
&rst
ixpk= 364, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 937, 938, 939, 941, 942, 943,
igr2= 276, 277,
&end
#
# 17 GLU HA 17 GLU HG+ 3.50 (# 367:20 Unique 2.64, 3.25 A)
&rst
ixpk= 367, nxpk= 20, iat= 271, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 276, 277,
&end
#
# 18 ALA MB 18 ALA HA 3.50 (# 374:20 Unique 2.22, 2.63 A)
&rst
ixpk= 374, nxpk= 20, iat= -1, 286, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 288, 289, 290,
&end
#
# 57 LEU MDX 18 ALA HA 4.50 (# 375:20 Unique 1.85, 3.46 A)
&rst
ixpk= 375, nxpk= 20, iat= -1, 286, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 937, 938, 939, 941, 942, 943,
&end
#
# 0 AMB 20-2:376 18 ALA MB 3.50 (# 376:20 Single Ambig)
&rst
ixpk= 376, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 340, 341, 342, 344, 345, 346, 235, 236,
igr2= 288, 289, 290,
&end
#
# 57 LEU MDY 18 ALA MB 3.50 (# 377:20 Unique 2.31, 5.23 A)
&rst
ixpk= 377, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 937, 938, 939, 941, 942, 943,
igr2= 288, 289, 290,
&end
#
# 57 LEU MDX 18 ALA MB 3.50 (# 378:20 Unique 2.31, 5.23 A)
&rst
ixpk= 378, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 937, 938, 939, 941, 942, 943,
igr2= 288, 289, 290,
&end
#
# 15 ARG HA 18 ALA MB 3.50 (# 379:20 Unique 2.11, 3.13 A)
&rst
ixpk= 379, nxpk= 20, iat= 230, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 288, 289, 290,
&end
#
# 22 LEU HB+ 18 ALA MB 3.50 (# 380:20 Unique 2.92, 5.21 A)
&rst
ixpk= 380, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 335, 336,
igr2= 288, 289, 290,
&end
#
# 16 MET HG+ 18 ALA MB 5.50 (# 381:20 Unique 6.47, 7.77 A)
&rst
ixpk= 381, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 259, 260,
igr2= 288, 289, 290,
&end
#
# 18 ALA HA 18 ALA MB 3.50 (# 382:20 Unique 2.22, 2.63 A)
&rst
ixpk= 382, nxpk= 20, iat= 286, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 288, 289, 290,
&end
#
# 22 LEU HA 18 ALA MB 5.50 (# 383:20 Unique 5.15, 6.53 A)
&rst
ixpk= 383, nxpk= 20, iat= 333, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 288, 289, 290,
&end
#
# 23 HIS HD2 18 ALA MB 4.50 (# 389:20 Unique 2.00, 3.05 A)
&rst
ixpk= 389, nxpk= 20, iat= 363, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 288, 289, 290,
&end
#
# 0 AMB 20-2:395 0 AMB 20-1:395 4.50 (# 395:20 Double Ambig)
&rst
ixpk= 395, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 877, 878, 874, 875,
igr2= 298, 299, 298, 299,
&end
#
# 53 LYS HD+ 19 ASP HB- 5.50 (# 396:20 Unique 3.63, 5.16 A)
&rst
ixpk= 396, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 877, 878,
igr2= 298, 299,
&end
#
# 20 PRO HG- 20 PRO HA 4.50 (# 397:20 Unique 3.85, 3.94 A)
&rst
ixpk= 397, nxpk= 20, iat= -1, 316, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 310, 311,
&end
#
# 20 PRO HB+ 20 PRO HA 4.50 (# 398:20 Unique 2.30, 2.51 A)
&rst
ixpk= 398, nxpk= 20, iat= -1, 316, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 313, 314,
&end
#
# 20 PRO HB- 20 PRO HA 4.50 (# 399:20 Unique 2.30, 2.51 A)
&rst
ixpk= 399, nxpk= 20, iat= -1, 316, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 313, 314,
&end
#
# 20 PRO HA 20 PRO HB- 4.50 (# 400:20 Unique 2.30, 2.51 A)
&rst
ixpk= 400, nxpk= 20, iat= 316, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 313, 314,
&end
#
# 20 PRO HA 20 PRO HB+ 4.50 (# 401:20 Unique 2.30, 2.51 A)
&rst
ixpk= 401, nxpk= 20, iat= 316, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 313, 314,
&end
#
# 20 PRO HD- 20 PRO HB- 5.50 (# 402:20 Unique 2.98, 3.70 A)
&rst
ixpk= 402, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 307, 308,
igr2= 313, 314,
&end
#
# 20 PRO HA 20 PRO HG+ 4.50 (# 405:20 Unique 3.85, 3.94 A)
&rst
ixpk= 405, nxpk= 20, iat= 316, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 310, 311,
&end
#
# 20 PRO HA 20 PRO HG- 4.50 (# 406:20 Unique 3.85, 3.94 A)
&rst
ixpk= 406, nxpk= 20, iat= 316, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 310, 311,
&end
#
# 20 PRO HD- 20 PRO HG+ 4.50 (# 407:20 Unique 2.30, 2.58 A)
&rst
ixpk= 407, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 307, 308,
igr2= 310, 311,
&end
#
# 20 PRO HD- 20 PRO HG- 4.50 (# 408:20 Unique 2.30, 2.58 A)
&rst
ixpk= 408, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 307, 308,
igr2= 310, 311,
&end
#
# 20 PRO HD+ 20 PRO HG+ 4.50 (# 409:20 Unique 2.30, 2.58 A)
&rst
ixpk= 409, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 307, 308,
igr2= 310, 311,
&end
#
# 20 PRO HD+ 20 PRO HG- 4.50 (# 410:20 Unique 2.30, 2.58 A)
&rst
ixpk= 410, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 307, 308,
igr2= 310, 311,
&end
#
# 19 ASP HA 20 PRO HG- 5.50 (# 411:20 Unique 4.54, 4.61 A)
&rst
ixpk= 411, nxpk= 20, iat= 296, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 310, 311,
&end
#
# 19 ASP HA 20 PRO HG+ 4.50 (# 412:20 Unique 4.54, 4.61 A)
&rst
ixpk= 412, nxpk= 20, iat= 296, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 310, 311,
&end
#
# 19 ASP HA 20 PRO HD+ 4.50 (# 413:20 Unique 2.35, 2.46 A)
&rst
ixpk= 413, nxpk= 20, iat= 296, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 307, 308,
&end
#
# 19 ASP HA 20 PRO HD- 4.50 (# 414:20 Unique 2.35, 2.46 A)
&rst
ixpk= 414, nxpk= 20, iat= 296, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 307, 308,
&end
#
# 20 PRO HB- 20 PRO HD+ 4.50 (# 415:20 Unique 2.98, 3.70 A)
&rst
ixpk= 415, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 313, 314,
igr2= 307, 308,
&end
#
# 20 PRO HG- 20 PRO HD- 4.50 (# 416:20 Unique 2.30, 2.58 A)
&rst
ixpk= 416, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 310, 311,
igr2= 307, 308,
&end
#
# 20 PRO HG+ 20 PRO HD+ 4.50 (# 417:20 Unique 2.30, 2.58 A)
&rst
ixpk= 417, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 310, 311,
igr2= 307, 308,
&end
#
# 20 PRO HG+ 20 PRO HD- 4.50 (# 418:20 Unique 2.30, 2.58 A)
&rst
ixpk= 418, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 310, 311,
igr2= 307, 308,
&end
#
# 21 SER HB+ 21 SER HA 3.50 (# 421:20 Unique 2.24, 2.75 A)
&rst
ixpk= 421, nxpk= 20, iat= -1, 322, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 324, 325,
&end
#
# 25 LEU MDY 22 LEU HA 4.50 (# 422:20 Unique 2.79, 4.33 A)
&rst
ixpk= 422, nxpk= 20, iat= -1, 333, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 390, 391, 392, 394, 395, 396,
&end
#
# 25 LEU MDX 22 LEU HA 4.50 (# 423:20 Unique 2.79, 4.33 A)
&rst
ixpk= 423, nxpk= 20, iat= -1, 333, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 390, 391, 392, 394, 395, 396,
&end
#
# 22 LEU MDX 22 LEU HB+ 4.50 (# 424:20 Unique 2.04, 3.24 A)
&rst
ixpk= 424, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 340, 341, 342, 344, 345, 346,
igr2= 335, 336,
&end
#
# 0 AMB 20-2:425 0 AMB 20-1:425 4.50 (# 425:20 Double Ambig)
&rst
ixpk= 425, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.02, r4= 8.77,
igr1= 340, 341, 342, 344, 345, 346, 385, 386,
igr2= 335, 336, 335, 336,
&end
#
# 22 LEU HB+ 22 LEU HG 3.50 (# 427:20 Unique 2.50, 2.79 A)
&rst
ixpk= 427, nxpk= 20, iat= -1, 338, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 335, 336,
&end
#
# 22 LEU HA 22 LEU MDX 4.50 (# 434:20 Unique 2.43, 4.37 A)
&rst
ixpk= 434, nxpk= 20, iat= 333, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 340, 341, 342, 344, 345, 346,
&end
#
# 22 LEU HB+ 22 LEU MDX 4.50 (# 437:20 Unique 2.04, 3.24 A)
&rst
ixpk= 437, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 335, 336,
igr2= 340, 341, 342, 344, 345, 346,
&end
#
# 18 ALA MB 22 LEU MDX 3.50 (# 439:20 Unique 3.01, 6.33 A)
&rst
ixpk= 439, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 288, 289, 290,
igr2= 340, 341, 342, 344, 345, 346,
&end
#
# 57 LEU MDX 22 LEU MDX 3.50 (# 440:20 Unique 2.33, 6.86 A)
&rst
ixpk= 440, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 937, 938, 939, 941, 942, 943,
igr2= 340, 341, 342, 344, 345, 346,
&end
#
# 22 LEU HA 22 LEU MDY 3.50 (# 447:20 Unique 2.43, 4.37 A)
&rst
ixpk= 447, nxpk= 20, iat= 333, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 340, 341, 342, 344, 345, 346,
&end
#
# 54 SER HB+ 22 LEU MDY 3.50 (# 449:20 Unique 1.96, 4.29 A)
&rst
ixpk= 449, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 893, 894,
igr2= 340, 341, 342, 344, 345, 346,
&end
#
# 22 LEU HB+ 22 LEU MDY 3.50 (# 450:20 Unique 2.04, 3.24 A)
&rst
ixpk= 450, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 335, 336,
igr2= 340, 341, 342, 344, 345, 346,
&end
#
# 25 LEU MDY 22 LEU MDY 3.50 (# 451:20 Unique 3.27, 6.58 A)
&rst
ixpk= 451, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 390, 391, 392, 394, 395, 396,
igr2= 340, 341, 342, 344, 345, 346,
&end
#
# 23 HIS HD2 23 HIS HA 4.50 (# 454:20 Unique 2.06, 2.24 A)
&rst
ixpk= 454, nxpk= 20, iat= 363, 352, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 23 HIS HB+ 23 HIS HA 4.50 (# 455:20 Unique 2.68, 2.84 A)
&rst
ixpk= 455, nxpk= 20, iat= -1, 352, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 354, 355,
&end
#
# 23 HIS HB- 23 HIS HA 4.50 (# 456:20 Unique 2.68, 2.84 A)
&rst
ixpk= 456, nxpk= 20, iat= -1, 352, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 354, 355,
&end
#
# 23 HIS HA 23 HIS HB+ 4.50 (# 459:20 Unique 2.68, 2.84 A)
&rst
ixpk= 459, nxpk= 20, iat= 352, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 354, 355,
&end
#
# 23 HIS HA 23 HIS HB- 5.50 (# 460:20 Unique 2.68, 2.84 A)
&rst
ixpk= 460, nxpk= 20, iat= 352, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 354, 355,
&end
#
# 24 PRO HD+ 23 HIS HB+ 5.50 (# 461:20 Unique 1.98, 2.65 A)
&rst
ixpk= 461, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 368, 369,
igr2= 354, 355,
&end
#
# 24 PRO HD+ 23 HIS HB- 5.50 (# 462:20 Unique 1.98, 2.65 A)
&rst
ixpk= 462, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 368, 369,
igr2= 354, 355,
&end
#
# 0 AMB 20-2:463 44 SER HA 4.50 (# 463:20 Single Ambig)
&rst
ixpk= 463, nxpk= 20, iat= -1, 729, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 778, 779, 781, 782,
&end
#
# 47 LYS HB+ 44 SER HA 5.50 (# 464:20 Unique 1.97, 3.21 A)
&rst
ixpk= 464, nxpk= 20, iat= -1, 729, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 775, 776,
&end
#
# 24 PRO HA 24 PRO HB+ 4.50 (# 468:20 Unique 2.30, 2.51 A)
&rst
ixpk= 468, nxpk= 20, iat= 377, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 374, 375,
&end
#
# 24 PRO HD+ 24 PRO HG- 4.50 (# 471:20 Unique 2.30, 2.58 A)
&rst
ixpk= 471, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 368, 369,
igr2= 371, 372,
&end
#
# 24 PRO HD- 24 PRO HG- 4.50 (# 473:20 Unique 2.30, 2.58 A)
&rst
ixpk= 473, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 368, 369,
igr2= 371, 372,
&end
#
# 24 PRO HG- 24 PRO HD+ 4.50 (# 474:20 Unique 2.30, 2.58 A)
&rst
ixpk= 474, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 371, 372,
igr2= 368, 369,
&end
#
# 24 PRO HG+ 24 PRO HD+ 4.50 (# 475:20 Unique 2.30, 2.58 A)
&rst
ixpk= 475, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 371, 372,
igr2= 368, 369,
&end
#
# 24 PRO HB- 24 PRO HD- 4.50 (# 476:20 Unique 2.98, 3.70 A)
&rst
ixpk= 476, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 374, 375,
igr2= 368, 369,
&end
#
# 24 PRO HG+ 24 PRO HD- 4.50 (# 477:20 Unique 2.30, 2.58 A)
&rst
ixpk= 477, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 371, 372,
igr2= 368, 369,
&end
#
# 24 PRO HG- 24 PRO HD- 4.50 (# 478:20 Unique 2.30, 2.58 A)
&rst
ixpk= 478, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 371, 372,
igr2= 368, 369,
&end
#
# 0 AMB 20-2:481 25 LEU HA 3.50 (# 481:20 Single Ambig)
&rst
ixpk= 481, nxpk= 20, iat= -1, 383, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 388, 385, 386,
&end
#
# 25 LEU MDX 25 LEU HA 3.50 (# 482:20 Unique 2.16, 3.85 A)
&rst
ixpk= 482, nxpk= 20, iat= -1, 383, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 390, 391, 392, 394, 395, 396,
&end
#
# 25 LEU MDY 25 LEU HA 4.50 (# 484:20 Unique 2.16, 3.85 A)
&rst
ixpk= 484, nxpk= 20, iat= -1, 383, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 390, 391, 392, 394, 395, 396,
&end
#
# 76 LEU MDX 76 LEU HB- 3.50 (# 485:20 Unique 2.00, 3.22 A)
&rst
ixpk= 485, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1283,1284,1285,1287,1288,1289,
igr2=1278,1279,
&end
#
# 25 LEU MDY 25 LEU HB+ 4.50 (# 486:20 Unique 2.03, 3.25 A)
&rst
ixpk= 486, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 390, 391, 392, 394, 395, 396,
igr2= 385, 386,
&end
#
# 76 LEU MDY 76 LEU HB- 3.50 (# 487:20 Unique 2.00, 3.22 A)
&rst
ixpk= 487, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1283,1284,1285,1287,1288,1289,
igr2=1278,1279,
&end
#
# 25 LEU HA 25 LEU HB- 5.50 (# 490:20 Unique 2.66, 2.83 A)
&rst
ixpk= 490, nxpk= 20, iat= 383, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 385, 386,
&end
#
# 25 LEU MDX 25 LEU HB- 4.50 (# 492:20 Unique 2.03, 3.25 A)
&rst
ixpk= 492, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 390, 391, 392, 394, 395, 396,
igr2= 385, 386,
&end
#
# 25 LEU MDY 25 LEU HB- 4.50 (# 493:20 Unique 2.03, 3.25 A)
&rst
ixpk= 493, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 390, 391, 392, 394, 395, 396,
igr2= 385, 386,
&end
#
# 44 SER HA 25 LEU MDX 5.50 (# 497:20 Unique 3.03, 5.47 A)
&rst
ixpk= 497, nxpk= 20, iat= 729, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 390, 391, 392, 394, 395, 396,
&end
#
# 25 LEU HA 25 LEU MDX 3.50 (# 498:20 Unique 2.16, 3.85 A)
&rst
ixpk= 498, nxpk= 20, iat= 383, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 390, 391, 392, 394, 395, 396,
&end
#
# 47 LYS HE+ 25 LEU MDX 4.50 (# 499:20 Unique 2.19, 5.72 A)
&rst
ixpk= 499, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 784, 785,
igr2= 390, 391, 392, 394, 395, 396,
&end
#
# 47 LYS HB- 25 LEU MDX 4.50 (# 501:20 Unique 1.99, 4.21 A)
&rst
ixpk= 501, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 775, 776,
igr2= 390, 391, 392, 394, 395, 396,
&end
#
# 47 LYS HB+ 25 LEU MDX 4.50 (# 502:20 Unique 1.99, 4.21 A)
&rst
ixpk= 502, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 775, 776,
igr2= 390, 391, 392, 394, 395, 396,
&end
#
# 22 LEU MDY 25 LEU MDY 3.50 (# 503:20 Unique 3.27, 6.58 A)
&rst
ixpk= 503, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 340, 341, 342, 344, 345, 346,
igr2= 390, 391, 392, 394, 395, 396,
&end
#
# 47 LYS HB- 25 LEU MDY 4.50 (# 505:20 Unique 1.99, 4.21 A)
&rst
ixpk= 505, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 775, 776,
igr2= 390, 391, 392, 394, 395, 396,
&end
#
# 47 LYS HB+ 25 LEU MDY 4.50 (# 506:20 Unique 1.99, 4.21 A)
&rst
ixpk= 506, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 775, 776,
igr2= 390, 391, 392, 394, 395, 396,
&end
#
# 25 LEU HA 25 LEU MDY 5.50 (# 507:20 Unique 2.16, 3.85 A)
&rst
ixpk= 507, nxpk= 20, iat= 383, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 390, 391, 392, 394, 395, 396,
&end
#
# 22 LEU HA 25 LEU MDY 4.50 (# 510:20 Unique 2.79, 4.33 A)
&rst
ixpk= 510, nxpk= 20, iat= 333, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 390, 391, 392, 394, 395, 396,
&end
#
# 26 PHE HZ 25 LEU MDY 6.50 (# 514:20 Unique 6.40, 9.05 A)
&rst
ixpk= 514, nxpk= 20, iat= 412, -1, r1= 0.00, r2= 1.80, r3= 8.76, r4= 9.51,
igr2= 390, 391, 392, 394, 395, 396,
&end
#
# 0 AMB 20-2:516 26 PHE HA 5.50 (# 516:20 Single Ambig)
&rst
ixpk= 516, nxpk= 20, iat= -1, 402, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 447, 448, 517, 525,
&end
#
# 26 PHE HD 26 PHE HA 4.50 (# 517:20 Unique 1.93, 3.18 A)
&rst
ixpk= 517, nxpk= 20, iat= -1, 402, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 408, 416,
&end
#
# 26 PHE HB- 26 PHE HA 4.50 (# 518:20 Unique 2.70, 2.84 A)
&rst
ixpk= 518, nxpk= 20, iat= -1, 402, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 404, 405,
&end
#
# 27 GLU HB- 27 GLU HA 3.50 (# 520:20 Unique 2.37, 2.73 A)
&rst
ixpk= 520, nxpk= 20, iat= -1, 422, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 424, 425,
&end
#
# 27 GLU HG- 27 GLU HA 3.50 (# 521:20 Unique 2.11, 3.06 A)
&rst
ixpk= 521, nxpk= 20, iat= -1, 422, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 427, 428,
&end
#
# 27 GLU HB+ 27 GLU HA 3.50 (# 522:20 Unique 2.37, 2.73 A)
&rst
ixpk= 522, nxpk= 20, iat= -1, 422, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 424, 425,
&end
#
# 27 GLU HG+ 27 GLU HA 4.50 (# 523:20 Unique 2.11, 3.06 A)
&rst
ixpk= 523, nxpk= 20, iat= -1, 422, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 427, 428,
&end
#
# 27 GLU HA 27 GLU HB- 3.50 (# 527:20 Unique 2.37, 2.73 A)
&rst
ixpk= 527, nxpk= 20, iat= 422, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 424, 425,
&end
#
# 27 GLU HA 27 GLU HB+ 3.50 (# 528:20 Unique 2.37, 2.73 A)
&rst
ixpk= 528, nxpk= 20, iat= 422, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 424, 425,
&end
#
# 27 GLU HA 27 GLU HG- 3.50 (# 529:20 Unique 2.11, 3.06 A)
&rst
ixpk= 529, nxpk= 20, iat= 422, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 427, 428,
&end
#
# 24 PRO HA 27 GLU HG+ 3.50 (# 533:20 Unique 1.97, 3.43 A)
&rst
ixpk= 533, nxpk= 20, iat= 377, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 427, 428,
&end
#
# 0 AMB 20-2:534 28 GLN HA 5.50 (# 534:20 Single Ambig)
&rst
ixpk= 534, nxpk= 20, iat= -1, 437, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 472, 420,
&end
#
# 0 AMB 20-2:536 83 LEU HA 3.50 (# 536:20 Single Ambig)
&rst
ixpk= 536, nxpk= 20, iat= -1,1400, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1402,1403,1464,1465,
&end
#
# 28 GLN HG+ 28 GLN HA 4.50 (# 538:20 Unique 2.12, 3.12 A)
&rst
ixpk= 538, nxpk= 20, iat= -1, 437, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 442, 443,
&end
#
# 0 AMB 20-2:539 28 GLN HA 3.50 (# 539:20 Single Ambig)
&rst
ixpk= 539, nxpk= 20, iat= -1, 437, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 442, 443, 439, 440,
&end
#
# 0 AMB 20-2:540 28 GLN HA 4.50 (# 540:20 Single Ambig)
&rst
ixpk= 540, nxpk= 20, iat= -1, 437, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 494, 495, 491, 492,
&end
#
# 31 LYS HB+ 28 GLN HA 5.50 (# 541:20 Unique 2.08, 3.25 A)
&rst
ixpk= 541, nxpk= 20, iat= -1, 437, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 491, 492,
&end
#
# 28 GLN HA 28 GLN HG+ 4.50 (# 542:20 Unique 2.12, 3.12 A)
&rst
ixpk= 542, nxpk= 20, iat= 437, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 442, 443,
&end
#
# 28 GLN HA 28 GLN HG- 4.50 (# 543:20 Unique 2.12, 3.12 A)
&rst
ixpk= 543, nxpk= 20, iat= 437, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 442, 443,
&end
#
# 0 AMB 20-2:547 28 GLN HG- 5.50 (# 547:20 Single Ambig)
&rst
ixpk= 547, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 517, 525, 447, 448,
igr2= 442, 443,
&end
#
# 26 PHE HD 29 PHE HA 6.50 (# 548:20 Unique 5.02, 7.18 A)
&rst
ixpk= 548, nxpk= 20, iat= -1, 454, r1= 0.00, r2= 1.80, r3= 7.30, r4= 8.05,
igr1= 408, 416,
&end
#
# 41 LEU MDX 29 PHE HA 4.50 (# 550:20 Unique 3.09, 5.40 A)
&rst
ixpk= 550, nxpk= 20, iat= -1, 454, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 691, 692, 693, 695, 696, 697,
&end
#
# 11 LEU MDY 30 GLU HA 4.50 (# 554:20 Unique 2.67, 4.53 A)
&rst
ixpk= 554, nxpk= 20, iat= -1, 474, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 174, 175, 176, 178, 179, 180,
&end
#
# 30 GLU HB+ 30 GLU HA 3.50 (# 555:20 Unique 2.25, 2.62 A)
&rst
ixpk= 555, nxpk= 20, iat= -1, 474, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 476, 477,
&end
#
# 34 GLU HB- 34 GLU HA 3.50 (# 557:20 Unique 2.26, 2.47 A)
&rst
ixpk= 557, nxpk= 20, iat= -1, 552, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 554, 555,
&end
#
# 34 GLU HB+ 34 GLU HA 3.50 (# 558:20 Unique 2.26, 2.47 A)
&rst
ixpk= 558, nxpk= 20, iat= -1, 552, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 554, 555,
&end
#
# 30 GLU HA 30 GLU HB+ 3.50 (# 562:20 Unique 2.25, 2.62 A)
&rst
ixpk= 562, nxpk= 20, iat= 474, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 476, 477,
&end
#
# 11 LEU MDY 30 GLU HB+ 3.50 (# 563:20 Unique 1.93, 3.55 A)
&rst
ixpk= 563, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 174, 175, 176, 178, 179, 180,
igr2= 476, 477,
&end
#
# 11 LEU MDY 30 GLU HG+ 4.50 (# 565:20 Unique 2.00, 4.92 A)
&rst
ixpk= 565, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 174, 175, 176, 178, 179, 180,
igr2= 479, 480,
&end
#
# 11 LEU MDY 30 GLU HG- 4.50 (# 566:20 Unique 2.00, 4.92 A)
&rst
ixpk= 566, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 174, 175, 176, 178, 179, 180,
igr2= 479, 480,
&end
#
# 7 ILE QG2 30 GLU HG+ 4.50 (# 568:20 Unique 4.31, 6.22 A)
&rst
ixpk= 568, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 107, 108, 109,
igr2= 479, 480,
&end
#
# 30 GLU HA 30 GLU HG+ 3.50 (# 569:20 Unique 2.83, 3.28 A)
&rst
ixpk= 569, nxpk= 20, iat= 474, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 479, 480,
&end
#
# 30 GLU HA 30 GLU HG- 4.50 (# 570:20 Unique 2.83, 3.28 A)
&rst
ixpk= 570, nxpk= 20, iat= 474, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 479, 480,
&end
#
# 31 LYS HB+ 31 LYS HA 3.50 (# 577:20 Unique 2.28, 2.59 A)
&rst
ixpk= 577, nxpk= 20, iat= -1, 489, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 491, 492,
&end
#
# 0 AMB 20-2:578 31 LYS HA 3.50 (# 578:20 Single Ambig)
&rst
ixpk= 578, nxpk= 20, iat= -1, 489, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 491, 492, 494, 495,
&end
#
# 0 AMB 20-2:579 31 LYS HA 3.50 (# 579:20 Single Ambig)
&rst
ixpk= 579, nxpk= 20, iat= -1, 489, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 491, 492, 494, 495,
&end
#
# 31 LYS HA 31 LYS HB+ 3.50 (# 583:20 Unique 2.28, 2.59 A)
&rst
ixpk= 583, nxpk= 20, iat= 489, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 491, 492,
&end
#
# 31 LYS HA 31 LYS HB- 4.50 (# 584:20 Unique 2.28, 2.59 A)
&rst
ixpk= 584, nxpk= 20, iat= 489, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 491, 492,
&end
#
# 28 GLN HA 31 LYS HB+ 5.50 (# 585:20 Unique 2.08, 3.25 A)
&rst
ixpk= 585, nxpk= 20, iat= 437, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 491, 492,
&end
#
# 28 GLN HA 31 LYS HB- 5.50 (# 586:20 Unique 2.08, 3.25 A)
&rst
ixpk= 586, nxpk= 20, iat= 437, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 491, 492,
&end
#
# 31 LYS HE+ 31 LYS HB+ 5.50 (# 587:20 Unique 2.91, 4.17 A)
&rst
ixpk= 587, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 500, 501,
igr2= 491, 492,
&end
#
# 31 LYS HG- 31 LYS HB- 4.50 (# 589:20 Unique 2.24, 2.63 A)
&rst
ixpk= 589, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 494, 495,
igr2= 491, 492,
&end
#
# 31 LYS HA 31 LYS HG- 4.50 (# 591:20 Unique 2.61, 3.47 A)
&rst
ixpk= 591, nxpk= 20, iat= 489, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 494, 495,
&end
#
# 31 LYS HE- 31 LYS HG- 4.50 (# 592:20 Unique 2.00, 3.16 A)
&rst
ixpk= 592, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 500, 501,
igr2= 494, 495,
&end
#
# 31 LYS HB+ 31 LYS HG- 3.50 (# 593:20 Unique 2.24, 2.63 A)
&rst
ixpk= 593, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 491, 492,
igr2= 494, 495,
&end
#
# 31 LYS HD- 31 LYS HG- 3.50 (# 595:20 Unique 2.22, 2.69 A)
&rst
ixpk= 595, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 497, 498,
igr2= 494, 495,
&end
#
# 31 LYS HG- 31 LYS HD- 3.50 (# 596:20 Unique 2.22, 2.69 A)
&rst
ixpk= 596, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 494, 495,
igr2= 497, 498,
&end
#
# 31 LYS HG- 31 LYS HD+ 3.50 (# 597:20 Unique 2.22, 2.69 A)
&rst
ixpk= 597, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 494, 495,
igr2= 497, 498,
&end
#
# 31 LYS HE- 31 LYS HD+ 3.50 (# 598:20 Unique 2.22, 2.65 A)
&rst
ixpk= 598, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 500, 501,
igr2= 497, 498,
&end
#
# 31 LYS HE- 31 LYS HD- 3.50 (# 599:20 Unique 2.22, 2.65 A)
&rst
ixpk= 599, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 500, 501,
igr2= 497, 498,
&end
#
# 0 AMB 20-2:600 0 AMB 20-1:600 3.50 (# 600:20 Double Ambig)
&rst
ixpk= 600, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1615, 489,
igr2=1623,1624, 497, 498,
&end
#
# 31 LYS HA 31 LYS HD+ 4.50 (# 601:20 Unique 3.44, 4.11 A)
&rst
ixpk= 601, nxpk= 20, iat= 489, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 497, 498,
&end
#
# 32 PHE HD 31 LYS HD+ 5.50 (# 603:20 Unique 1.98, 4.24 A)
&rst
ixpk= 603, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 517, 525,
igr2= 497, 498,
&end
#
# 32 PHE HD 31 LYS HD- 5.50 (# 604:20 Unique 1.98, 4.24 A)
&rst
ixpk= 604, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 517, 525,
igr2= 497, 498,
&end
#
# 31 LYS HG- 31 LYS HE+ 4.50 (# 607:20 Unique 2.00, 3.16 A)
&rst
ixpk= 607, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 494, 495,
igr2= 500, 501,
&end
#
# 0 AMB 20-2:608 0 AMB 20-1:608 4.50 (# 608:20 Double Ambig)
&rst
ixpk= 608, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 494, 495,1206,1207,
igr2= 500, 501,1215,1216,
&end
#
# 72 LYS HD+ 72 LYS HE+ 3.50 (# 609:20 Unique 2.22, 2.68 A)
&rst
ixpk= 609, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1212,1213,
igr2=1215,1216,
&end
#
# 31 LYS HD+ 31 LYS HE+ 3.50 (# 611:20 Unique 2.22, 2.65 A)
&rst
ixpk= 611, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 497, 498,
igr2= 500, 501,
&end
#
# 31 LYS HD+ 31 LYS HE- 3.50 (# 612:20 Unique 2.22, 2.65 A)
&rst
ixpk= 612, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 497, 498,
igr2= 500, 501,
&end
#
# 31 LYS HD- 31 LYS HE- 3.50 (# 613:20 Unique 2.22, 2.65 A)
&rst
ixpk= 613, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 497, 498,
igr2= 500, 501,
&end
#
# 31 LYS HD- 31 LYS HE+ 3.50 (# 614:20 Unique 2.22, 2.65 A)
&rst
ixpk= 614, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 497, 498,
igr2= 500, 501,
&end
#
# 31 LYS HB+ 31 LYS HE- 3.50 (# 615:20 Unique 2.91, 4.17 A)
&rst
ixpk= 615, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 491, 492,
igr2= 500, 501,
&end
#
# 31 LYS HB+ 31 LYS HE+ 3.50 (# 616:20 Unique 2.91, 4.17 A)
&rst
ixpk= 616, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 491, 492,
igr2= 500, 501,
&end
#
# 0 AMB 20-2:617 0 AMB 20-1:617 4.50 (# 617:20 Double Ambig)
&rst
ixpk= 617, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 517, 525, 447, 448,
igr2= 500, 501, 500, 501,
&end
#
# 0 AMB 20-2:618 31 LYS HE- 4.50 (# 618:20 Single Ambig)
&rst
ixpk= 618, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 517, 525, 447, 448,
igr2= 500, 501,
&end
#
# 41 LEU MDY 33 TYR HA 4.50 (# 623:20 Unique 1.99, 4.40 A)
&rst
ixpk= 623, nxpk= 20, iat= -1, 531, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 691, 692, 693, 695, 696, 697,
&end
#
# 33 TYR HB+ 33 TYR HA 4.50 (# 624:20 Unique 2.23, 2.67 A)
&rst
ixpk= 624, nxpk= 20, iat= -1, 531, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 533, 534,
&end
#
# 33 TYR HB- 33 TYR HA 4.50 (# 625:20 Unique 2.23, 2.67 A)
&rst
ixpk= 625, nxpk= 20, iat= -1, 531, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 533, 534,
&end
#
# 33 TYR HD 33 TYR HA 5.50 (# 626:20 Unique 2.49, 3.68 A)
&rst
ixpk= 626, nxpk= 20, iat= -1, 531, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 537, 546,
&end
#
# 33 TYR HD 33 TYR HB- 5.50 (# 631:20 Unique 2.30, 3.05 A)
&rst
ixpk= 631, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 537, 546,
igr2= 533, 534,
&end
#
# 46 THR HA 49 PHE HB+ 5.50 (# 632:20 Unique 1.98, 3.43 A)
&rst
ixpk= 632, nxpk= 20, iat= 759, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 817, 818,
&end
#
# 33 TYR HA 33 TYR HB- 5.50 (# 633:20 Unique 2.23, 2.67 A)
&rst
ixpk= 633, nxpk= 20, iat= 531, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 533, 534,
&end
#
# 0 AMB 20-2:637 0 AMB 20-1:637 3.50 (# 637:20 Double Ambig)
&rst
ixpk= 637, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 552, 474,
igr2= 557, 558, 557, 558,
&end
#
# 35 GLU HG- 35 GLU HA 4.50 (# 644:20 Unique 2.60, 3.31 A)
&rst
ixpk= 644, nxpk= 20, iat= -1, 567, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 572, 573,
&end
#
# 35 GLU HB- 35 GLU HA 3.50 (# 645:20 Unique 2.37, 2.77 A)
&rst
ixpk= 645, nxpk= 20, iat= -1, 567, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 569, 570,
&end
#
# 35 GLU HG+ 35 GLU HA 3.50 (# 646:20 Unique 2.60, 3.31 A)
&rst
ixpk= 646, nxpk= 20, iat= -1, 567, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 572, 573,
&end
#
# 35 GLU HA 35 GLU HB- 4.50 (# 649:20 Unique 2.37, 2.77 A)
&rst
ixpk= 649, nxpk= 20, iat= 567, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 569, 570,
&end
#
# 35 GLU HG- 35 GLU HB- 4.50 (# 650:20 Unique 2.27, 2.59 A)
&rst
ixpk= 650, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 572, 573,
igr2= 569, 570,
&end
#
# 35 GLU HG- 35 GLU HB+ 4.50 (# 651:20 Unique 2.27, 2.59 A)
&rst
ixpk= 651, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 572, 573,
igr2= 569, 570,
&end
#
# 37 LEU MDY 35 GLU HB- 4.50 (# 653:20 Unique 1.99, 4.70 A)
&rst
ixpk= 653, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 611, 612, 613, 615, 616, 617,
igr2= 569, 570,
&end
#
# 0 AMB 20-2:655 0 AMB 20-1:655 5.50 (# 655:20 Double Ambig)
&rst
ixpk= 655, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 606, 607, 587, 588,
igr2= 572, 573, 572, 573,
&end
#
# 35 GLU HB+ 35 GLU HG+ 6.50 (# 656:20 Unique 2.27, 2.59 A)
&rst
ixpk= 656, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.19, r4= 8.94,
igr1= 569, 570,
igr2= 572, 573,
&end
#
# 35 GLU HB+ 35 GLU HG- 4.50 (# 657:20 Unique 2.27, 2.59 A)
&rst
ixpk= 657, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 569, 570,
igr2= 572, 573,
&end
#
# 37 LEU MDY 35 GLU HG- 4.50 (# 658:20 Unique 2.78, 6.08 A)
&rst
ixpk= 658, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 611, 612, 613, 615, 616, 617,
igr2= 572, 573,
&end
#
# 35 GLU HA 35 GLU HG- 3.50 (# 660:20 Unique 2.60, 3.31 A)
&rst
ixpk= 660, nxpk= 20, iat= 567, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 572, 573,
&end
#
# 35 GLU HA 35 GLU HG+ 3.50 (# 661:20 Unique 2.60, 3.31 A)
&rst
ixpk= 661, nxpk= 20, iat= 567, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 572, 573,
&end
#
# 0 AMB 20-2:667 0 AMB 20-1:667 2.80 (# 667:20 Double Ambig)
&rst
ixpk= 667, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,
igr1=1890,1891,2630,2631, 587, 588,1890,1891,
igr2=1865,1866,2627,2628, 584, 585,1887,1888,
&end
#
# 0 AMB 20-2:668 0 AMB 20-1:668 3.50 (# 668:20 Double Ambig)
&rst
ixpk= 668, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1896,1897, 593, 594,2636,2637,
igr2=1887,1888, 584, 585,2627,2628,
&end
#
# 109 LEU HA 112 LYS HB+ 3.50 (# 669:20 Unique 1.97, 2.51 A)
&rst
ixpk= 669, nxpk= 20, iat=1821, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1865,1866,
&end
#
# 109 LEU MDX 0 AMB 20-1:674 4.50 (# 674:20 Single Ambig)
&rst
ixpk= 674, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1828,1829,1830,1832,1833,1834,
igr2=1865,1866,1887,1888,
&end
#
# 113 LYS HA 113 LYS HB+ 2.80 (# 675:20 Unique 2.35, 2.45 A)
&rst
ixpk= 675, nxpk= 20, iat=1885, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1887,1888,
&end
#
# 0 AMB 20-2:677 0 AMB 20-1:677 2.80 (# 677:20 Double Ambig)
&rst
ixpk= 677, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,
igr1=1865,1866,2627,2628, 584, 585,1887,1888,
igr2=1890,1891,2630,2631, 587, 588,1890,1891,
&end
#
# 0 AMB 20-2:678 0 AMB 20-1:678 2.80 (# 678:20 Double Ambig)
&rst
ixpk= 678, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1896,1897, 593, 594,2636,2637,
igr2=1890,1891, 587, 588,2630,2631,
&end
#
# 113 LYS HA 113 LYS HG+ 5.50 (# 679:20 Unique 3.54, 3.77 A)
&rst
ixpk= 679, nxpk= 20, iat=1885, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1890,1891,
&end
#
# 0 AMB 20-2:683 0 AMB 20-1:683 3.50 (# 683:20 Double Ambig)
&rst
ixpk= 683, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1=1828,1829,1830,1832,1833,1834,2601,2602,2603,2605,
2606,2607,
igr2=1871,1872,2633,2634,
&end
#
# 0 AMB 20-2:684 0 AMB 20-1:684 2.80 (# 684:20 Double Ambig)
&rst
ixpk= 684, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1=1874,1875,2658,2659,2636,2637,2658,2659,
igr2=1871,1872,2655,2656,2633,2634,
&end
#
# 109 LEU HA 112 LYS HD+ 3.50 (# 685:20 Unique 2.03, 4.41 A)
&rst
ixpk= 685, nxpk= 20, iat=1821, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1871,1872,
&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= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1863,2625,
igr2=1871,1872,2633,2634,
&end
#
# 37 LEU MDX 37 LEU HA 4.50 (# 687:20 Unique 1.94, 3.90 A)
&rst
ixpk= 687, nxpk= 20, iat= -1, 604, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 611, 612, 613, 615, 616, 617,
&end
#
# 37 LEU MDY 37 LEU HA 4.50 (# 688:20 Unique 1.94, 3.90 A)
&rst
ixpk= 688, nxpk= 20, iat= -1, 604, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 611, 612, 613, 615, 616, 617,
&end
#
# 0 AMB 20-2:689 37 LEU HA 3.50 (# 689:20 Single Ambig)
&rst
ixpk= 689, nxpk= 20, iat= -1, 604, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 606, 607, 587, 588,
&end
#
# 37 LEU MDY 37 LEU HB+ 4.50 (# 693:20 Unique 1.91, 3.35 A)
&rst
ixpk= 693, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 611, 612, 613, 615, 616, 617,
igr2= 606, 607,
&end
#
# 37 LEU MDX 37 LEU HB+ 4.50 (# 694:20 Unique 1.91, 3.35 A)
&rst
ixpk= 694, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 611, 612, 613, 615, 616, 617,
igr2= 606, 607,
&end
#
# 0 AMB 20-2:703 37 LEU MDX 3.50 (# 703:20 Single Ambig)
&rst
ixpk= 703, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 569, 570, 672, 673, 686, 687,
igr2= 611, 612, 613, 615, 616, 617,
&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= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1278,1279, 609,
igr2=1283,1284,1285,1287,1288,1289, 611, 612, 613, 615,
616, 617,
&end
#
# 0 AMB 20-2:707 37 LEU MDY 3.50 (# 707:20 Single Ambig)
&rst
ixpk= 707, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 606, 607, 686, 687,
igr2= 611, 612, 613, 615, 616, 617,
&end
#
# 35 GLU HB+ 37 LEU MDY 4.50 (# 708:20 Unique 1.99, 4.70 A)
&rst
ixpk= 708, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 569, 570,
igr2= 611, 612, 613, 615, 616, 617,
&end
#
# 0 AMB 20-2:709 37 LEU MDY 3.50 (# 709:20 Single Ambig)
&rst
ixpk= 709, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 569, 570, 672, 673, 686, 687,
igr2= 611, 612, 613, 615, 616, 617,
&end
#
# 35 GLU HG- 37 LEU MDY 5.50 (# 710:20 Unique 2.78, 6.08 A)
&rst
ixpk= 710, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 572, 573,
igr2= 611, 612, 613, 615, 616, 617,
&end
#
# 37 LEU HA 37 LEU MDY 4.50 (# 712:20 Unique 1.94, 3.90 A)
&rst
ixpk= 712, nxpk= 20, iat= 604, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 611, 612, 613, 615, 616, 617,
&end
#
# 32 PHE HA 37 LEU MDY 4.50 (# 713:20 Unique 2.46, 4.57 A)
&rst
ixpk= 713, nxpk= 20, iat= 511, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 611, 612, 613, 615, 616, 617,
&end
#
# 35 GLU HA 37 LEU MDY 5.50 (# 714:20 Unique 3.96, 6.87 A)
&rst
ixpk= 714, nxpk= 20, iat= 567, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 611, 612, 613, 615, 616, 617,
&end
#
# 32 PHE HD 37 LEU MDY 4.50 (# 716:20 Unique 1.99, 5.22 A)
&rst
ixpk= 716, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 517, 525,
igr2= 611, 612, 613, 615, 616, 617,
&end
#
# 38 TRP HE3 38 TRP HA 4.50 (# 720:20 Unique 1.82, 2.17 A)
&rst
ixpk= 720, nxpk= 20, iat= 640, 623, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 38 TRP HB+ 38 TRP HA 4.50 (# 721:20 Unique 2.36, 2.72 A)
&rst
ixpk= 721, nxpk= 20, iat= -1, 623, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 625, 626,
&end
#
# 38 TRP HB- 38 TRP HA 5.50 (# 722:20 Unique 2.36, 2.72 A)
&rst
ixpk= 722, nxpk= 20, iat= -1, 623, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 625, 626,
&end
#
# 38 TRP HA 38 TRP HB- 5.50 (# 723:20 Unique 2.36, 2.72 A)
&rst
ixpk= 723, nxpk= 20, iat= 623, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 625, 626,
&end
#
# 38 TRP HA 38 TRP HB+ 5.50 (# 724:20 Unique 2.36, 2.72 A)
&rst
ixpk= 724, nxpk= 20, iat= 623, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 625, 626,
&end
#
# 38 TRP HD1 38 TRP HB- 5.50 (# 727:20 Unique 2.55, 3.06 A)
&rst
ixpk= 727, nxpk= 20, iat= 629, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 625, 626,
&end
#
# 38 TRP HD1 38 TRP HB+ 5.50 (# 728:20 Unique 2.55, 3.06 A)
&rst
ixpk= 728, nxpk= 20, iat= 629, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 625, 626,
&end
#
# 73 ILE QG2 39 PHE HA 4.50 (# 729:20 Unique 2.52, 3.57 A)
&rst
ixpk= 729, nxpk= 20, iat= -1, 647, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1230,1231,1232,
&end
#
# 39 PHE HB+ 39 PHE HA 3.50 (# 730:20 Unique 2.38, 2.78 A)
&rst
ixpk= 730, nxpk= 20, iat= -1, 647, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 649, 650,
&end
#
# 39 PHE HB- 39 PHE HA 4.50 (# 731:20 Unique 2.38, 2.78 A)
&rst
ixpk= 731, nxpk= 20, iat= -1, 647, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 649, 650,
&end
#
# 39 PHE HD 39 PHE HA 4.50 (# 734:20 Unique 1.96, 3.28 A)
&rst
ixpk= 734, nxpk= 20, iat= -1, 647, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 653, 661,
&end
#
# 39 PHE HA 39 PHE HB+ 3.50 (# 739:20 Unique 2.38, 2.78 A)
&rst
ixpk= 739, nxpk= 20, iat= 647, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 649, 650,
&end
#
# 39 PHE HD 39 PHE HB+ 4.50 (# 740:20 Unique 2.29, 3.06 A)
&rst
ixpk= 740, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 653, 661,
igr2= 649, 650,
&end
#
# 40 GLN HG+ 40 GLN HA 3.50 (# 742:20 Unique 2.50, 3.14 A)
&rst
ixpk= 742, nxpk= 20, iat= -1, 667, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 672, 673,
&end
#
# 40 GLN HB+ 40 GLN HA 4.50 (# 743:20 Unique 2.27, 2.68 A)
&rst
ixpk= 743, nxpk= 20, iat= -1, 667, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 669, 670,
&end
#
# 40 GLN HB- 40 GLN HA 4.50 (# 744:20 Unique 2.27, 2.68 A)
&rst
ixpk= 744, nxpk= 20, iat= -1, 667, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 669, 670,
&end
#
# 0 AMB 20-2:745 40 GLN HA 4.50 (# 745:20 Single Ambig)
&rst
ixpk= 745, nxpk= 20, iat= -1, 667, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 719, 720, 716, 717,
&end
#
# 39 PHE HD 40 GLN HG- 5.50 (# 751:20 Unique 3.61, 6.03 A)
&rst
ixpk= 751, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 653, 661,
igr2= 672, 673,
&end
#
# 39 PHE HD 40 GLN HG+ 5.50 (# 752:20 Unique 3.61, 6.03 A)
&rst
ixpk= 752, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 653, 661,
igr2= 672, 673,
&end
#
# 32 PHE HD 40 GLN HG+ 4.50 (# 755:20 Unique 1.97, 6.43 A)
&rst
ixpk= 755, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 517, 525,
igr2= 672, 673,
&end
#
# 32 PHE HD 40 GLN HG- 4.50 (# 756:20 Unique 1.97, 6.43 A)
&rst
ixpk= 756, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 517, 525,
igr2= 672, 673,
&end
#
# 40 GLN HA 40 GLN HG+ 3.50 (# 757:20 Unique 2.50, 3.14 A)
&rst
ixpk= 757, nxpk= 20, iat= 667, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 672, 673,
&end
#
# 40 GLN HA 40 GLN HG- 3.50 (# 758:20 Unique 2.50, 3.14 A)
&rst
ixpk= 758, nxpk= 20, iat= 667, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 672, 673,
&end
#
# 40 GLN HB+ 40 GLN HG+ 4.50 (# 759:20 Unique 2.21, 2.69 A)
&rst
ixpk= 759, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 669, 670,
igr2= 672, 673,
&end
#
# 40 GLN HB+ 40 GLN HG- 4.50 (# 760:20 Unique 2.21, 2.69 A)
&rst
ixpk= 760, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 669, 670,
igr2= 672, 673,
&end
#
# 40 GLN HB- 40 GLN HG+ 4.50 (# 761:20 Unique 2.21, 2.69 A)
&rst
ixpk= 761, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 669, 670,
igr2= 672, 673,
&end
#
# 40 GLN HB- 40 GLN HG- 4.50 (# 762:20 Unique 2.21, 2.69 A)
&rst
ixpk= 762, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 669, 670,
igr2= 672, 673,
&end
#
# 37 LEU HB+ 40 GLN HG+ 4.50 (# 763:20 Unique 1.98, 4.46 A)
&rst
ixpk= 763, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 606, 607,
igr2= 672, 673,
&end
#
# 37 LEU HB+ 40 GLN HG- 4.50 (# 764:20 Unique 1.98, 4.46 A)
&rst
ixpk= 764, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 606, 607,
igr2= 672, 673,
&end
#
# 40 GLN HA 40 GLN HB+ 5.50 (# 767:20 Unique 2.27, 2.68 A)
&rst
ixpk= 767, nxpk= 20, iat= 667, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 669, 670,
&end
#
# 40 GLN HG+ 40 GLN HB+ 4.50 (# 768:20 Unique 2.21, 2.69 A)
&rst
ixpk= 768, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 672, 673,
igr2= 669, 670,
&end
#
# 40 GLN HG- 40 GLN HB- 4.50 (# 769:20 Unique 2.21, 2.69 A)
&rst
ixpk= 769, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 672, 673,
igr2= 669, 670,
&end
#
# 37 LEU MDY 40 GLN HG+ 4.50 (# 770:20 Unique 2.01, 5.15 A)
&rst
ixpk= 770, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 611, 612, 613, 615, 616, 617,
igr2= 672, 673,
&end
#
# 29 PHE HD 41 LEU HA 6.50 (# 774:20 Unique 3.73, 5.69 A)
&rst
ixpk= 774, nxpk= 20, iat= -1, 684, r1= 0.00, r2= 1.80, r3= 7.30, r4= 8.05,
igr1= 460, 468,
&end
#
# 41 LEU MDX 41 LEU HA 4.50 (# 775:20 Unique 2.47, 4.23 A)
&rst
ixpk= 775, nxpk= 20, iat= -1, 684, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 691, 692, 693, 695, 696, 697,
&end
#
# 41 LEU MDY 41 LEU HA 5.50 (# 776:20 Unique 2.47, 4.23 A)
&rst
ixpk= 776, nxpk= 20, iat= -1, 684, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 691, 692, 693, 695, 696, 697,
&end
#
# 0 AMB 20-2:777 0 AMB 20-1:777 3.50 (# 777:20 Double Ambig)
&rst
ixpk= 777, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,
igr1= 232, 233, 747, 748, 749, 751, 752, 753,
igr2= 235, 236, 691, 692, 693, 695, 696, 697,
&end
#
# 41 LEU HG 41 LEU MDY 4.50 (# 779:20 Unique 2.22, 2.63 A)
&rst
ixpk= 779, nxpk= 20, iat= 689, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 691, 692, 693, 695, 696, 697,
&end
#
# 41 LEU HB- 41 LEU MDY 4.50 (# 780:20 Unique 2.12, 3.25 A)
&rst
ixpk= 780, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 686, 687,
igr2= 691, 692, 693, 695, 696, 697,
&end
#
# 38 TRP HA 41 LEU MDY 4.50 (# 783:20 Unique 1.99, 4.31 A)
&rst
ixpk= 783, nxpk= 20, iat= 623, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 691, 692, 693, 695, 696, 697,
&end
#
# 38 TRP HZ3 41 LEU MDY 5.50 (# 784:20 Unique 2.93, 4.83 A)
&rst
ixpk= 784, nxpk= 20, iat= 638, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 691, 692, 693, 695, 696, 697,
&end
#
# 38 TRP HE3 41 LEU MDY 4.50 (# 787:20 Unique 1.97, 4.13 A)
&rst
ixpk= 787, nxpk= 20, iat= 640, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 691, 692, 693, 695, 696, 697,
&end
#
# 33 TYR HA 41 LEU MDY 4.50 (# 790:20 Unique 1.99, 4.40 A)
&rst
ixpk= 790, nxpk= 20, iat= 531, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 691, 692, 693, 695, 696, 697,
&end
#
# 42 SER HA 41 LEU MDY 5.50 (# 791:20 Unique 3.22, 4.97 A)
&rst
ixpk= 791, nxpk= 20, iat= 703, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 691, 692, 693, 695, 696, 697,
&end
#
# 42 SER HA 42 SER HB+ 4.50 (# 793:20 Unique 2.24, 2.64 A)
&rst
ixpk= 793, nxpk= 20, iat= 703, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 705, 706,
&end
#
# 73 ILE QG2 42 SER HB+ 4.50 (# 794:20 Unique 1.99, 3.02 A)
&rst
ixpk= 794, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1230,1231,1232,
igr2= 705, 706,
&end
#
# 73 ILE QD1 42 SER HB+ 4.50 (# 795:20 Unique 1.99, 3.57 A)
&rst
ixpk= 795, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1237,1238,1239,
igr2= 705, 706,
&end
#
# 42 SER HA 42 SER HB- 4.50 (# 798:20 Unique 2.24, 2.64 A)
&rst
ixpk= 798, nxpk= 20, iat= 703, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 705, 706,
&end
#
# 73 ILE QG2 42 SER HB- 4.50 (# 799:20 Unique 1.99, 3.02 A)
&rst
ixpk= 799, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1230,1231,1232,
igr2= 705, 706,
&end
#
# 73 ILE QD1 42 SER HB- 4.50 (# 800:20 Unique 1.99, 3.57 A)
&rst
ixpk= 800, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1237,1238,1239,
igr2= 705, 706,
&end
#
# 43 GLU HG+ 43 GLU HA 3.50 (# 804:20 Unique 2.56, 3.32 A)
&rst
ixpk= 804, nxpk= 20, iat= -1, 714, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 719, 720,
&end
#
# 43 GLU HB- 43 GLU HA 3.50 (# 805:20 Unique 2.35, 2.62 A)
&rst
ixpk= 805, nxpk= 20, iat= -1, 714, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 716, 717,
&end
#
# 43 GLU HB+ 43 GLU HA 3.50 (# 807:20 Unique 2.35, 2.62 A)
&rst
ixpk= 807, nxpk= 20, iat= -1, 714, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 716, 717,
&end
#
# 46 THR HB 43 GLU HA 4.50 (# 810:20 Unique 2.01, 3.84 A)
&rst
ixpk= 810, nxpk= 20, iat= 761, 714, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 43 GLU HG+ 43 GLU HB+ 3.50 (# 811:20 Unique 2.22, 2.70 A)
&rst
ixpk= 811, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 719, 720,
igr2= 716, 717,
&end
#
# 43 GLU HA 43 GLU HB+ 3.50 (# 813:20 Unique 2.35, 2.62 A)
&rst
ixpk= 813, nxpk= 20, iat= 714, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 716, 717,
&end
#
# 43 GLU HA 43 GLU HG+ 3.50 (# 819:20 Unique 2.56, 3.32 A)
&rst
ixpk= 819, nxpk= 20, iat= 714, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 719, 720,
&end
#
# 40 GLN HA 43 GLU HG+ 5.50 (# 821:20 Unique 1.98, 2.93 A)
&rst
ixpk= 821, nxpk= 20, iat= 667, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 719, 720,
&end
#
# 46 THR HB 43 GLU HG+ 6.50 (# 823:20 Unique 4.75, 6.77 A)
&rst
ixpk= 823, nxpk= 20, iat= 761, -1, r1= 0.00, r2= 1.80, r3= 7.30, r4= 8.05,
igr2= 719, 720,
&end
#
# 26 PHE HE 44 SER HB+ 6.50 (# 827:20 Unique 6.84, 9.38 A)
&rst
ixpk= 827, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.19, r4= 8.94,
igr1= 410, 414,
igr2= 731, 732,
&end
#
# 45 LEU MDX 45 LEU HA 4.50 (# 828:20 Unique 2.12, 4.15 A)
&rst
ixpk= 828, nxpk= 20, iat= -1, 740, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 747, 748, 749, 751, 752, 753,
&end
#
# 26 PHE HE 45 LEU HA 5.50 (# 830:20 Unique 3.79, 6.03 A)
&rst
ixpk= 830, nxpk= 20, iat= -1, 740, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 410, 414,
&end
#
# 61 LEU MDX 45 LEU MDX 3.50 (# 832:20 Unique 1.98, 5.46 A)
&rst
ixpk= 832, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1023,1024,1025,1027,1028,1029,
igr2= 747, 748, 749, 751, 752, 753,
&end
#
# 45 LEU HB+ 45 LEU MDX 4.50 (# 836:20 Unique 1.99, 3.24 A)
&rst
ixpk= 836, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 742, 743,
igr2= 747, 748, 749, 751, 752, 753,
&end
#
# 45 LEU HA 45 LEU MDX 4.50 (# 838:20 Unique 2.12, 4.15 A)
&rst
ixpk= 838, nxpk= 20, iat= 740, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 747, 748, 749, 751, 752, 753,
&end
#
# 44 SER HB+ 45 LEU MDX 5.50 (# 839:20 Unique 4.28, 7.57 A)
&rst
ixpk= 839, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 731, 732,
igr2= 747, 748, 749, 751, 752, 753,
&end
#
# 42 SER HA 45 LEU MDX 5.50 (# 840:20 Unique 1.95, 4.55 A)
&rst
ixpk= 840, nxpk= 20, iat= 703, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 747, 748, 749, 751, 752, 753,
&end
#
# 26 PHE HZ 45 LEU MDX 5.50 (# 842:20 Unique 4.18, 6.78 A)
&rst
ixpk= 842, nxpk= 20, iat= 412, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 747, 748, 749, 751, 752, 753,
&end
#
# 26 PHE HD 45 LEU MDX 4.50 (# 844:20 Unique 4.15, 8.28 A)
&rst
ixpk= 844, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 408, 416,
igr2= 747, 748, 749, 751, 752, 753,
&end
#
# 81 TYR HE 45 LEU MDX 4.50 (# 845:20 Unique 2.72, 7.11 A)
&rst
ixpk= 845, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1368,1373,
igr2= 747, 748, 749, 751, 752, 753,
&end
#
# 29 PHE HD 45 LEU MDX 5.50 (# 846:20 Unique 2.47, 5.94 A)
&rst
ixpk= 846, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 460, 468,
igr2= 747, 748, 749, 751, 752, 753,
&end
#
# 0 AMB 20-2:848 45 LEU MDX 4.50 (# 848:20 Single Ambig)
&rst
ixpk= 848, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1088,1096,1041,1050,
igr2= 747, 748, 749, 751, 752, 753,
&end
#
# 41 LEU MDY 45 LEU MDY 4.50 (# 851:20 Unique 2.52, 5.66 A)
&rst
ixpk= 851, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 691, 692, 693, 695, 696, 697,
igr2= 747, 748, 749, 751, 752, 753,
&end
#
# 0 AMB 20-2:853 45 LEU MDY 4.50 (# 853:20 Single Ambig)
&rst
ixpk= 853, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 689, 216,
igr2= 747, 748, 749, 751, 752, 753,
&end
#
# 45 LEU HB+ 45 LEU MDY 4.50 (# 855:20 Unique 1.99, 3.24 A)
&rst
ixpk= 855, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 742, 743,
igr2= 747, 748, 749, 751, 752, 753,
&end
#
# 0 AMB 20-2:856 45 LEU MDY 4.50 (# 856:20 Single Ambig)
&rst
ixpk= 856, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1016, 167,
igr2= 747, 748, 749, 751, 752, 753,
&end
#
# 0 AMB 20-2:857 45 LEU MDY 5.50 (# 857:20 Single Ambig)
&rst
ixpk= 857, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 759, 731, 732,
igr2= 747, 748, 749, 751, 752, 753,
&end
#
# 0 AMB 20-2:858 45 LEU MDY 4.50 (# 858:20 Single Ambig)
&rst
ixpk= 858, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 703, 761,
igr2= 747, 748, 749, 751, 752, 753,
&end
#
# 69 PHE HE 45 LEU MDY 4.50 (# 859:20 Unique 2.00, 5.71 A)
&rst
ixpk= 859, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1159,1163,
igr2= 747, 748, 749, 751, 752, 753,
&end
#
# 69 PHE HZ 45 LEU MDY 4.50 (# 860:20 Unique 3.27, 5.48 A)
&rst
ixpk= 860, nxpk= 20, iat=1161, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 747, 748, 749, 751, 752, 753,
&end
#
# 81 TYR HE 45 LEU MDY 4.50 (# 862:20 Unique 2.72, 7.11 A)
&rst
ixpk= 862, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1368,1373,
igr2= 747, 748, 749, 751, 752, 753,
&end
#
# 49 PHE HD 45 LEU MDY 5.50 (# 863:20 Unique 5.15, 9.01 A)
&rst
ixpk= 863, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 821, 829,
igr2= 747, 748, 749, 751, 752, 753,
&end
#
# 0 AMB 20-2:865 46 THR HA 3.50 (# 865:20 Single Ambig)
&rst
ixpk= 865, nxpk= 20, iat= -1, 759, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1= 763, 764, 765, 954, 955,
&end
#
# 46 THR MG2 46 THR HB 3.50 (# 867:20 Unique 2.23, 2.64 A)
&rst
ixpk= 867, nxpk= 20, iat= -1, 761, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 763, 764, 765,
&end
#
# 46 THR HB 46 THR MG2 3.50 (# 871:20 Unique 2.23, 2.64 A)
&rst
ixpk= 871, nxpk= 20, iat= 761, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 763, 764, 765,
&end
#
# 0 AMB 20-2:872 46 THR MG2 4.50 (# 872:20 Single Ambig)
&rst
ixpk= 872, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 714, 773,
igr2= 763, 764, 765,
&end
#
# 0 AMB 20-2:873 46 THR MG2 3.50 (# 873:20 Single Ambig)
&rst
ixpk= 873, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 759, 705, 706,
igr2= 763, 764, 765,
&end
#
# 0 AMB 20-2:878 47 LYS HA 3.50 (# 878:20 Single Ambig)
&rst
ixpk= 878, nxpk= 20, iat= -1, 773, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 778, 779, 781, 782,
&end
#
# 47 LYS HD+ 47 LYS HA 4.50 (# 879:20 Unique 2.51, 4.01 A)
&rst
ixpk= 879, nxpk= 20, iat= -1, 773, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 781, 782,
&end
#
# 47 LYS HB- 47 LYS HA 3.50 (# 880:20 Unique 2.24, 2.81 A)
&rst
ixpk= 880, nxpk= 20, iat= -1, 773, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 775, 776,
&end
#
# 47 LYS HA 47 LYS HB+ 4.50 (# 883:20 Unique 2.24, 2.81 A)
&rst
ixpk= 883, nxpk= 20, iat= 773, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 775, 776,
&end
#
# 47 LYS HA 47 LYS HB- 4.50 (# 884:20 Unique 2.24, 2.81 A)
&rst
ixpk= 884, nxpk= 20, iat= 773, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 775, 776,
&end
#
# 0 AMB 20-2:885 0 AMB 20-1:885 4.50 (# 885:20 Double Ambig)
&rst
ixpk= 885, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 775, 776, 716, 717,
igr2= 778, 779, 778, 779,
&end
#
# 47 LYS HB+ 47 LYS HG- 4.50 (# 886:20 Unique 2.21, 2.69 A)
&rst
ixpk= 886, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 775, 776,
igr2= 778, 779,
&end
#
# 47 LYS HB- 47 LYS HG- 3.50 (# 887:20 Unique 2.21, 2.69 A)
&rst
ixpk= 887, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 775, 776,
igr2= 778, 779,
&end
#
# 47 LYS HB+ 47 LYS HG+ 4.50 (# 888:20 Unique 2.21, 2.69 A)
&rst
ixpk= 888, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 775, 776,
igr2= 778, 779,
&end
#
# 47 LYS HE+ 47 LYS HG+ 4.50 (# 889:20 Unique 2.01, 3.06 A)
&rst
ixpk= 889, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 784, 785,
igr2= 778, 779,
&end
#
# 47 LYS HE+ 47 LYS HG- 3.50 (# 890:20 Unique 2.01, 3.06 A)
&rst
ixpk= 890, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 784, 785,
igr2= 778, 779,
&end
#
# 47 LYS HA 47 LYS HG+ 4.50 (# 891:20 Unique 2.05, 2.78 A)
&rst
ixpk= 891, nxpk= 20, iat= 773, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 778, 779,
&end
#
# 47 LYS HA 47 LYS HG- 3.50 (# 892:20 Unique 2.05, 2.78 A)
&rst
ixpk= 892, nxpk= 20, iat= 773, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 778, 779,
&end
#
# 25 LEU MDX 47 LYS HD+ 4.50 (# 895:20 Unique 1.99, 4.67 A)
&rst
ixpk= 895, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 390, 391, 392, 394, 395, 396,
igr2= 781, 782,
&end
#
# 25 LEU MDX 47 LYS HD- 4.50 (# 896:20 Unique 1.99, 4.67 A)
&rst
ixpk= 896, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 390, 391, 392, 394, 395, 396,
igr2= 781, 782,
&end
#
# 47 LYS HE+ 47 LYS HD+ 3.50 (# 897:20 Unique 2.22, 2.68 A)
&rst
ixpk= 897, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 784, 785,
igr2= 781, 782,
&end
#
# 47 LYS HE+ 47 LYS HD- 2.80 (# 898:20 Unique 2.22, 2.68 A)
&rst
ixpk= 898, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 784, 785,
igr2= 781, 782,
&end
#
# 47 LYS HA 47 LYS HD+ 5.50 (# 899:20 Unique 2.51, 4.01 A)
&rst
ixpk= 899, nxpk= 20, iat= 773, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 781, 782,
&end
#
# 47 LYS HA 47 LYS HD- 5.50 (# 900:20 Unique 2.51, 4.01 A)
&rst
ixpk= 900, nxpk= 20, iat= 773, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 781, 782,
&end
#
# 52 ALA MB 52 ALA HA 3.50 (# 906:20 Unique 2.22, 2.63 A)
&rst
ixpk= 906, nxpk= 20, iat= -1, 859, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 861, 862, 863,
&end
#
# 51 ASP HA 52 ALA MB 5.50 (# 910:20 Unique 3.85, 4.98 A)
&rst
ixpk= 910, nxpk= 20, iat= 847, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 861, 862, 863,
&end
#
# 53 LYS HA 52 ALA MB 4.50 (# 911:20 Unique 3.79, 5.13 A)
&rst
ixpk= 911, nxpk= 20, iat= 869, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 861, 862, 863,
&end
#
# 52 ALA HA 52 ALA MB 2.80 (# 912:20 Unique 2.22, 2.63 A)
&rst
ixpk= 912, nxpk= 20, iat= 859, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 861, 862, 863,
&end
#
# 53 LYS HE+ 52 ALA MB 5.50 (# 913:20 Unique 4.45, 6.68 A)
&rst
ixpk= 913, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 880, 881,
igr2= 861, 862, 863,
&end
#
# 53 LYS HE+ 53 LYS HG+ 3.50 (# 921:20 Unique 2.02, 3.04 A)
&rst
ixpk= 921, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 880, 881,
igr2= 874, 875,
&end
#
# 53 LYS HE+ 53 LYS HG- 3.50 (# 922:20 Unique 2.02, 3.04 A)
&rst
ixpk= 922, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 880, 881,
igr2= 874, 875,
&end
#
# 22 LEU HB+ 53 LYS HG- 4.50 (# 923:20 Unique 4.59, 6.27 A)
&rst
ixpk= 923, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 335, 336,
igr2= 874, 875,
&end
#
# 0 AMB 20-2:925 0 AMB 20-1:925 3.50 (# 925:20 Double Ambig)
&rst
ixpk= 925, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 869,1259,
igr2= 874, 875,1234,1235,
&end
#
# 22 LEU MDY 53 LYS HG- 3.50 (# 926:20 Unique 1.98, 4.65 A)
&rst
ixpk= 926, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 340, 341, 342, 344, 345, 346,
igr2= 874, 875,
&end
#
# 73 ILE QD1 73 ILE HG1- 3.50 (# 927:20 Unique 2.20, 2.62 A)
&rst
ixpk= 927, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1237,1238,1239,
igr2=1234,1235,
&end
#
# 53 LYS HA 53 LYS HG+ 3.50 (# 928:20 Unique 2.57, 3.20 A)
&rst
ixpk= 928, nxpk= 20, iat= 869, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 874, 875,
&end
#
# 53 LYS HA 53 LYS HD+ 3.50 (# 930:20 Unique 2.00, 2.99 A)
&rst
ixpk= 930, nxpk= 20, iat= 869, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 877, 878,
&end
#
# 53 LYS HE+ 53 LYS HD+ 3.50 (# 931:20 Unique 2.22, 2.70 A)
&rst
ixpk= 931, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 880, 881,
igr2= 877, 878,
&end
#
# 22 LEU MDX 53 LYS HD+ 3.50 (# 932:20 Unique 2.05, 4.48 A)
&rst
ixpk= 932, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 340, 341, 342, 344, 345, 346,
igr2= 877, 878,
&end
#
# 55 THR MG2 55 THR HB 3.50 (# 936:20 Unique 2.23, 2.64 A)
&rst
ixpk= 936, nxpk= 20, iat= -1, 904, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 906, 907, 908,
&end
#
# 0 AMB 20-2:937 55 THR HB 4.50 (# 937:20 Single Ambig)
&rst
ixpk= 937, nxpk= 20, iat= -1, 904, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 918, 919, 921, 922, 932, 933, 951, 952,
&end
#
# 0 AMB 20-2:938 24 PRO HA 3.50 (# 938:20 Single Ambig)
&rst
ixpk= 938, nxpk= 20, iat= -1, 377, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 371, 372, 439, 440,
&end
#
# 24 PRO HB+ 24 PRO HA 4.50 (# 939:20 Unique 2.30, 2.51 A)
&rst
ixpk= 939, nxpk= 20, iat= -1, 377, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 374, 375,
&end
#
# 56 PRO HD- 55 THR HB 3.50 (# 940:20 Unique 1.70, 2.21 A)
&rst
ixpk= 940, nxpk= 20, iat= -1, 904, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 915, 916,
&end
#
# 56 PRO HD+ 55 THR HB 3.50 (# 941:20 Unique 1.70, 2.21 A)
&rst
ixpk= 941, nxpk= 20, iat= -1, 904, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 915, 916,
&end
#
# 55 THR MG2 55 THR HA 3.50 (# 944:20 Unique 2.46, 3.35 A)
&rst
ixpk= 944, nxpk= 20, iat= -1, 902, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 906, 907, 908,
&end
#
# 0 AMB 20-2:950 55 THR MG2 4.50 (# 950:20 Single Ambig)
&rst
ixpk= 950, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 924,1481,
igr2= 906, 907, 908,
&end
#
# 0 AMB 20-2:951 55 THR MG2 3.50 (# 951:20 Single Ambig)
&rst
ixpk= 951, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1429, 904,
igr2= 906, 907, 908,
&end
#
# 55 THR HA 55 THR MG2 3.50 (# 952:20 Unique 2.46, 3.35 A)
&rst
ixpk= 952, nxpk= 20, iat= 902, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 906, 907, 908,
&end
#
# 56 PRO HD+ 55 THR MG2 3.50 (# 953:20 Unique 1.99, 3.74 A)
&rst
ixpk= 953, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 915, 916,
igr2= 906, 907, 908,
&end
#
# 88 ASP HB+ 55 THR MG2 5.50 (# 954:20 Unique 2.01, 3.36 A)
&rst
ixpk= 954, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1483,1484,
igr2= 906, 907, 908,
&end
#
# 88 ASP HB- 55 THR MG2 5.50 (# 955:20 Unique 2.01, 3.36 A)
&rst
ixpk= 955, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1483,1484,
igr2= 906, 907, 908,
&end
#
# 56 PRO HB+ 55 THR MG2 5.50 (# 956:20 Unique 3.33, 5.25 A)
&rst
ixpk= 956, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 921, 922,
igr2= 906, 907, 908,
&end
#
# 0 AMB 20-2:957 55 THR MG2 4.50 (# 957:20 Single Ambig)
&rst
ixpk= 957, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 918, 919, 951, 952,
igr2= 906, 907, 908,
&end
#
# 0 AMB 20-2:958 55 THR MG2 4.50 (# 958:20 Single Ambig)
&rst
ixpk= 958, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 921, 922, 918, 919,1461,1462, 951, 952,
igr2= 906, 907, 908,
&end
#
# 56 PRO HA 56 PRO HB+ 3.50 (# 960:20 Unique 2.30, 2.51 A)
&rst
ixpk= 960, nxpk= 20, iat= 924, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 921, 922,
&end
#
# 56 PRO HA 56 PRO HB- 4.50 (# 961:20 Unique 2.30, 2.51 A)
&rst
ixpk= 961, nxpk= 20, iat= 924, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 921, 922,
&end
#
# 56 PRO HB+ 56 PRO HG- 3.50 (# 962:20 Unique 2.32, 2.58 A)
&rst
ixpk= 962, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 921, 922,
igr2= 918, 919,
&end
#
# 56 PRO HB+ 56 PRO HG+ 4.50 (# 963:20 Unique 2.32, 2.58 A)
&rst
ixpk= 963, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 921, 922,
igr2= 918, 919,
&end
#
# 56 PRO HD- 56 PRO HG- 4.50 (# 964:20 Unique 2.30, 2.58 A)
&rst
ixpk= 964, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 915, 916,
igr2= 918, 919,
&end
#
# 56 PRO HD- 56 PRO HG+ 4.50 (# 965:20 Unique 2.30, 2.58 A)
&rst
ixpk= 965, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 915, 916,
igr2= 918, 919,
&end
#
# 56 PRO HD+ 56 PRO HG- 4.50 (# 966:20 Unique 2.30, 2.58 A)
&rst
ixpk= 966, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 915, 916,
igr2= 918, 919,
&end
#
# 56 PRO HD+ 56 PRO HG+ 4.50 (# 967:20 Unique 2.30, 2.58 A)
&rst
ixpk= 967, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 915, 916,
igr2= 918, 919,
&end
#
# 0 AMB 20-2:968 56 PRO HG- 4.50 (# 968:20 Single Ambig)
&rst
ixpk= 968, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 924,1481,
igr2= 918, 919,
&end
#
# 0 AMB 20-2:969 0 AMB 20-1:969 5.50 (# 969:20 Double Ambig)
&rst
ixpk= 969, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 924,1481,
igr2= 918, 919, 918, 919,
&end
#
# 56 PRO HA 56 PRO HD- 5.50 (# 973:20 Unique 3.60, 3.85 A)
&rst
ixpk= 973, nxpk= 20, iat= 924, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 915, 916,
&end
#
# 56 PRO HB+ 56 PRO HD+ 5.50 (# 976:20 Unique 2.98, 3.70 A)
&rst
ixpk= 976, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 921, 922,
igr2= 915, 916,
&end
#
# 56 PRO HG- 56 PRO HD+ 4.50 (# 977:20 Unique 2.30, 2.58 A)
&rst
ixpk= 977, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 918, 919,
igr2= 915, 916,
&end
#
# 56 PRO HG+ 56 PRO HD+ 4.50 (# 978:20 Unique 2.30, 2.58 A)
&rst
ixpk= 978, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 918, 919,
igr2= 915, 916,
&end
#
# 56 PRO HG+ 56 PRO HD- 4.50 (# 979:20 Unique 2.30, 2.58 A)
&rst
ixpk= 979, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 918, 919,
igr2= 915, 916,
&end
#
# 56 PRO HG- 56 PRO HD- 4.50 (# 980:20 Unique 2.30, 2.58 A)
&rst
ixpk= 980, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 918, 919,
igr2= 915, 916,
&end
#
# 56 PRO HB+ 56 PRO HD- 5.50 (# 981:20 Unique 2.98, 3.70 A)
&rst
ixpk= 981, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 921, 922,
igr2= 915, 916,
&end
#
# 55 THR MG2 56 PRO HD+ 4.50 (# 982:20 Unique 1.99, 3.74 A)
&rst
ixpk= 982, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 906, 907, 908,
igr2= 915, 916,
&end
#
# 55 THR MG2 56 PRO HD- 4.50 (# 983:20 Unique 1.99, 3.74 A)
&rst
ixpk= 983, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 906, 907, 908,
igr2= 915, 916,
&end
#
# 57 LEU HA 57 LEU HG 4.50 (# 985:20 Unique 2.23, 2.54 A)
&rst
ixpk= 985, nxpk= 20, iat= 930, 935, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 25 LEU HA 25 LEU HG 6.50 (# 986:20 Unique 2.28, 2.52 A)
&rst
ixpk= 986, nxpk= 20, iat= 383, 388, r1= 0.00, r2= 1.80, r3= 6.50, r4= 7.25, &end
#
# 57 LEU MDY 57 LEU HG 2.80 (# 987:20 Unique 2.21, 2.63 A)
&rst
ixpk= 987, nxpk= 20, iat= -1, 935, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 937, 938, 939, 941, 942, 943,
&end
#
# 57 LEU MDX 57 LEU HG 3.50 (# 988:20 Unique 2.21, 2.63 A)
&rst
ixpk= 988, nxpk= 20, iat= -1, 935, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 937, 938, 939, 941, 942, 943,
&end
#
# 18 ALA HA 57 LEU MDX 3.50 (# 996:20 Unique 1.85, 3.46 A)
&rst
ixpk= 996, nxpk= 20, iat= 286, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 937, 938, 939, 941, 942, 943,
&end
#
# 57 LEU HA 57 LEU MDX 4.50 (# 997:20 Unique 1.97, 3.96 A)
&rst
ixpk= 997, nxpk= 20, iat= 930, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 937, 938, 939, 941, 942, 943,
&end
#
# 57 LEU HG 57 LEU MDX 3.50 (# 999:20 Unique 2.21, 2.63 A)
&rst
ixpk= 999, nxpk= 20, iat= 935, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 937, 938, 939, 941, 942, 943,
&end
#
# 57 LEU HB+ 57 LEU MDX 3.50 (# 1000:20 Unique 2.04, 3.29 A)
&rst
ixpk= 1000, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 932, 933,
igr2= 937, 938, 939, 941, 942, 943,
&end
#
# 57 LEU HB- 57 LEU MDX 3.50 (# 1001:20 Unique 2.04, 3.29 A)
&rst
ixpk= 1001, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 932, 933,
igr2= 937, 938, 939, 941, 942, 943,
&end
#
# 22 LEU MDX 57 LEU MDX 3.50 (# 1004:20 Unique 2.33, 6.86 A)
&rst
ixpk= 1004, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 340, 341, 342, 344, 345, 346,
igr2= 937, 938, 939, 941, 942, 943,
&end
#
# 58 ARG HN 57 LEU MDY 5.50 (# 1008:20 Unique 3.21, 5.03 A)
&rst
ixpk= 1008, nxpk= 20, iat= 947, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 937, 938, 939, 941, 942, 943,
&end
#
# 57 LEU HA 57 LEU MDY 3.50 (# 1011:20 Unique 1.97, 3.96 A)
&rst
ixpk= 1011, nxpk= 20, iat= 930, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 937, 938, 939, 941, 942, 943,
&end
#
# 85 SER HB+ 57 LEU MDY 6.50 (# 1012:20 Unique 7.37, 9.46 A)
&rst
ixpk= 1012, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.84, r4=10.59,
igr1=1431,1432,
igr2= 937, 938, 939, 941, 942, 943,
&end
#
# 18 ALA HA 57 LEU MDY 3.50 (# 1013:20 Unique 1.85, 3.46 A)
&rst
ixpk= 1013, nxpk= 20, iat= 286, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 937, 938, 939, 941, 942, 943,
&end
#
# 17 GLU HG+ 57 LEU MDY 5.50 (# 1014:20 Unique 3.16, 5.69 A)
&rst
ixpk= 1014, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 276, 277,
igr2= 937, 938, 939, 941, 942, 943,
&end
#
# 0 AMB 20-2:1015 57 LEU MDY 4.50 (# 1015:20 Single Ambig)
&rst
ixpk= 1015, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 951, 952, 918, 919, 256, 257,
igr2= 937, 938, 939, 941, 942, 943,
&end
#
# 57 LEU HB+ 57 LEU MDY 2.80 (# 1016:20 Unique 2.04, 3.29 A)
&rst
ixpk= 1016, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 932, 933,
igr2= 937, 938, 939, 941, 942, 943,
&end
#
# 57 LEU HG 57 LEU MDY 2.80 (# 1017:20 Unique 2.21, 2.63 A)
&rst
ixpk= 1017, nxpk= 20, iat= 935, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 937, 938, 939, 941, 942, 943,
&end
#
# 59 LEU MDY 59 LEU HG 3.50 (# 1023:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1023, nxpk= 20, iat= -1, 978, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 980, 981, 982, 984, 985, 986,
&end
#
# 59 LEU MDX 59 LEU HG 3.50 (# 1024:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1024, nxpk= 20, iat= -1, 978, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 980, 981, 982, 984, 985, 986,
&end
#
# 59 LEU HB- 59 LEU MDX 3.50 (# 1025:20 Unique 2.07, 3.28 A)
&rst
ixpk= 1025, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 975, 976,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 59 LEU HB+ 59 LEU MDX 3.50 (# 1027:20 Unique 2.07, 3.28 A)
&rst
ixpk= 1027, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 975, 976,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 98 TYR HE 59 LEU MDX 4.50 (# 1030:20 Unique 2.37, 6.43 A)
&rst
ixpk= 1030, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1645,1650,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 98 TYR HD 59 LEU MDX 5.50 (# 1031:20 Unique 3.68, 7.32 A)
&rst
ixpk= 1031, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1643,1652,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 56 PRO HD- 59 LEU MDX 5.50 (# 1032:20 Unique 5.82, 8.60 A)
&rst
ixpk= 1032, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 915, 916,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 0 AMB 20-2:1035 59 LEU MDY 4.50 (# 1035:20 Single Ambig)
&rst
ixpk= 1035, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1041,1050,1043,1048,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 98 TYR HE 59 LEU MDY 4.50 (# 1036:20 Unique 2.37, 6.43 A)
&rst
ixpk= 1036, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1645,1650,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 98 TYR HD 59 LEU MDY 5.50 (# 1037:20 Unique 3.68, 7.32 A)
&rst
ixpk= 1037, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1643,1652,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 85 SER HA 59 LEU MDY 5.50 (# 1040:20 Unique 3.16, 5.87 A)
&rst
ixpk= 1040, nxpk= 20, iat=1429, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 62 TYR HB+ 59 LEU MDY 4.50 (# 1042:20 Unique 2.90, 6.48 A)
&rst
ixpk= 1042, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1037,1038,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 59 LEU HB+ 59 LEU MDY 4.50 (# 1043:20 Unique 2.07, 3.28 A)
&rst
ixpk= 1043, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 975, 976,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 59 LEU HB- 59 LEU MDY 3.50 (# 1044:20 Unique 2.07, 3.28 A)
&rst
ixpk= 1044, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 975, 976,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 82 LEU MDX 59 LEU MDY 4.50 (# 1046:20 Unique 2.19, 7.80 A)
&rst
ixpk= 1046, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1388,1389,1390,1392,1393,1394,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 82 LEU MDX 59 LEU MDX 5.50 (# 1047:20 Unique 2.19, 7.80 A)
&rst
ixpk= 1047, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=1388,1389,1390,1392,1393,1394,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 0 AMB 20-2:1049 60 ARG HA 3.50 (# 1049:20 Single Ambig)
&rst
ixpk= 1049, nxpk= 20, iat= -1, 992, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 997, 998, 994, 995,
&end
#
# 63 ASP HB+ 60 ARG HA 4.50 (# 1050:20 Unique 2.33, 3.19 A)
&rst
ixpk= 1050, nxpk= 20, iat= -1, 992, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1058,1059,
&end
#
# 63 ASP HB- 60 ARG HA 4.50 (# 1051:20 Unique 2.33, 3.19 A)
&rst
ixpk= 1051, nxpk= 20, iat= -1, 992, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1058,1059,
&end
#
# 115 ARG HA 115 ARG HB+ 3.50 (# 1054:20 Unique 2.35, 2.76 A)
&rst
ixpk= 1054, nxpk= 20, iat=1924, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1926,1927,
&end
#
# 0 AMB 20-2:1055 0 AMB 20-1:1055 3.50 (# 1055:20 Double Ambig)
&rst
ixpk= 1055, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1000,1001,1932,1933,
igr2= 994, 995,1926,1927,
&end
#
# 10 ILE QD1 60 ARG HB+ 4.50 (# 1056:20 Unique 5.13, 6.69 A)
&rst
ixpk= 1056, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 159, 160, 161,
igr2= 994, 995,
&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= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=2240,2090,
igr2=1601,2095,
&end
#
# 48 PHE HB+ 25 LEU HG 4.50 (# 1060:20 Unique 3.68, 5.98 A #push)
&rst
ixpk= 1060, nxpk= 20, iat= -1, 388, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 797, 798,
&end
#
# 96 LEU MDX 96 LEU HG 2.80 (# 1061:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1061, nxpk= 20, iat= -1,1601, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1603,1604,1605,1607,1608,1609,
&end
#
# 115 ARG HG+ 115 ARG HD+ 2.80 (# 1063:20 Unique 2.22, 2.64 A)
&rst
ixpk= 1063, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1929,1930,
igr2=1932,1933,
&end
#
# 0 AMB 20-2:1066 0 AMB 20-1:1066 6.50 (# 1066:20 Double Ambig)
&rst
ixpk= 1066, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.84, r4=10.59,
igr1=1909,1910,2073,
igr2=1932,1933,1932,1933,
&end
#
# 61 LEU MDX 61 LEU HA 5.50 (# 1071:20 Unique 1.96, 3.71 A)
&rst
ixpk= 1071, nxpk= 20, iat= -1,1016, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1023,1024,1025,1027,1028,1029,
&end
#
# 61 LEU MDY 61 LEU HA 4.50 (# 1072:20 Unique 1.96, 3.71 A)
&rst
ixpk= 1072, nxpk= 20, iat= -1,1016, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1023,1024,1025,1027,1028,1029,
&end
#
# 61 LEU HB+ 61 LEU HA 4.50 (# 1073:20 Unique 2.36, 2.77 A)
&rst
ixpk= 1073, nxpk= 20, iat= -1,1016, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1018,1019,
&end
#
# 61 LEU MDX 61 LEU HB+ 5.50 (# 1074:20 Unique 1.95, 3.34 A)
&rst
ixpk= 1074, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1023,1024,1025,1027,1028,1029,
igr2=1018,1019,
&end
#
# 61 LEU MDX 61 LEU HG 5.50 (# 1076:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1076, nxpk= 20, iat= -1,1021, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1023,1024,1025,1027,1028,1029,
&end
#
# 61 LEU MDY 61 LEU HG 4.50 (# 1077:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1077, nxpk= 20, iat= -1,1021, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1023,1024,1025,1027,1028,1029,
&end
#
# 65 PHE HD 61 LEU MDX 4.50 (# 1082:20 Unique 2.01, 4.69 A)
&rst
ixpk= 1082, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1088,1096,
igr2=1023,1024,1025,1027,1028,1029,
&end
#
# 26 PHE HE 61 LEU MDX 4.50 (# 1083:20 Unique 1.99, 5.76 A)
&rst
ixpk= 1083, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 410, 414,
igr2=1023,1024,1025,1027,1028,1029,
&end
#
# 26 PHE HZ 61 LEU MDX 5.50 (# 1085:20 Unique 2.24, 5.27 A)
&rst
ixpk= 1085, nxpk= 20, iat= 412, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1023,1024,1025,1027,1028,1029,
&end
#
# 26 PHE HD 61 LEU MDX 5.50 (# 1086:20 Unique 3.36, 7.04 A)
&rst
ixpk= 1086, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 408, 416,
igr2=1023,1024,1025,1027,1028,1029,
&end
#
# 61 LEU HB+ 61 LEU MDX 4.50 (# 1088:20 Unique 1.95, 3.34 A)
&rst
ixpk= 1088, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1018,1019,
igr2=1023,1024,1025,1027,1028,1029,
&end
#
# 61 LEU HG 61 LEU MDX 4.50 (# 1089:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1089, nxpk= 20, iat=1021, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1023,1024,1025,1027,1028,1029,
&end
#
# 0 AMB 20-2:1090 61 LEU MDX 4.50 (# 1090:20 Single Ambig)
&rst
ixpk= 1090, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1018,1019, 954, 955,
igr2=1023,1024,1025,1027,1028,1029,
&end
#
# 66 VAL MGX 61 LEU MDX 5.50 (# 1091:20 Unique 1.98, 5.98 A)
&rst
ixpk= 1091, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=1106,1107,1108,1110,1111,1112,
igr2=1023,1024,1025,1027,1028,1029,
&end
#
# 45 LEU MDX 61 LEU MDX 3.50 (# 1094:20 Unique 1.98, 5.46 A)
&rst
ixpk= 1094, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 747, 748, 749, 751, 752, 753,
igr2=1023,1024,1025,1027,1028,1029,
&end
#
# 11 LEU MDX 61 LEU MDY 4.50 (# 1097:20 Unique 2.60, 6.42 A)
&rst
ixpk= 1097, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 174, 175, 176, 178, 179, 180,
igr2=1023,1024,1025,1027,1028,1029,
&end
#
# 61 LEU HG 61 LEU MDY 3.50 (# 1099:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1099, nxpk= 20, iat=1021, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1023,1024,1025,1027,1028,1029,
&end
#
# 0 AMB 20-2:1100 61 LEU MDY 4.50 (# 1100:20 Single Ambig)
&rst
ixpk= 1100, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1018,1019, 954, 955,
igr2=1023,1024,1025,1027,1028,1029,
&end
#
# 61 LEU HB+ 61 LEU MDY 4.50 (# 1101:20 Unique 1.95, 3.34 A)
&rst
ixpk= 1101, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1018,1019,
igr2=1023,1024,1025,1027,1028,1029,
&end
#
# 65 PHE HB- 61 LEU MDY 4.50 (# 1102:20 Unique 1.92, 4.15 A)
&rst
ixpk= 1102, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1084,1085,
igr2=1023,1024,1025,1027,1028,1029,
&end
#
# 65 PHE HB+ 61 LEU MDY 4.50 (# 1103:20 Unique 1.92, 4.15 A)
&rst
ixpk= 1103, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1084,1085,
igr2=1023,1024,1025,1027,1028,1029,
&end
#
# 26 PHE HD 61 LEU MDY 5.50 (# 1106:20 Unique 3.36, 7.04 A)
&rst
ixpk= 1106, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 408, 416,
igr2=1023,1024,1025,1027,1028,1029,
&end
#
# 65 PHE HD 61 LEU MDY 4.50 (# 1111:20 Unique 2.01, 4.69 A)
&rst
ixpk= 1111, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1088,1096,
igr2=1023,1024,1025,1027,1028,1029,
&end
#
# 0 AMB 20-2:1113 0 AMB 20-1:1113 5.50 (# 1113:20 Double Ambig)
&rst
ixpk= 1113, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1=1023,1024,1025,1027,1028,1029, 980, 981, 982, 984,
985, 986,
igr2=1037,1038,1037,1038,
&end
#
# 62 TYR HA 62 TYR HB- 5.50 (# 1114:20 Unique 2.25, 2.64 A)
&rst
ixpk= 1114, nxpk= 20, iat=1035, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1037,1038,
&end
#
# 62 TYR HD 62 TYR HB+ 4.50 (# 1115:20 Unique 2.33, 3.05 A)
&rst
ixpk= 1115, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1041,1050,
igr2=1037,1038,
&end
#
# 62 TYR HD 63 ASP HA 4.50 (# 1119:20 Unique 3.16, 4.60 A)
&rst
ixpk= 1119, nxpk= 20, iat= -1,1056, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1041,1050,
&end
#
# 63 ASP HB+ 63 ASP HA 3.50 (# 1120:20 Unique 2.43, 2.79 A)
&rst
ixpk= 1120, nxpk= 20, iat= -1,1056, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1058,1059,
&end
#
# 63 ASP HB- 63 ASP HA 3.50 (# 1121:20 Unique 2.43, 2.79 A)
&rst
ixpk= 1121, nxpk= 20, iat= -1,1056, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1058,1059,
&end
#
# 101 ASP HB- 101 ASP HA 3.50 (# 1122:20 Unique 2.37, 2.81 A)
&rst
ixpk= 1122, nxpk= 20, iat= -1,1689, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1691,1692,
&end
#
# 65 PHE HD 65 PHE HB- 4.50 (# 1129:20 Unique 2.28, 3.04 A)
&rst
ixpk= 1129, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1088,1096,
igr2=1084,1085,
&end
#
# 63 ASP HA 63 ASP HB- 3.50 (# 1130:20 Unique 2.43, 2.79 A)
&rst
ixpk= 1130, nxpk= 20, iat=1056, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1058,1059,
&end
#
# 63 ASP HA 63 ASP HB+ 3.50 (# 1131:20 Unique 2.43, 2.79 A)
&rst
ixpk= 1131, nxpk= 20, iat=1056, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1058,1059,
&end
#
# 66 VAL MGX 66 VAL HA 4.50 (# 1132:20 Unique 2.26, 3.12 A)
&rst
ixpk= 1132, nxpk= 20, iat= -1,1102, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1106,1107,1108,1110,1111,1112,
&end
#
# 66 VAL MGY 66 VAL HA 4.50 (# 1133:20 Unique 2.26, 3.12 A)
&rst
ixpk= 1133, nxpk= 20, iat= -1,1102, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1106,1107,1108,1110,1111,1112,
&end
#
# 69 PHE HE 66 VAL HA 5.50 (# 1135:20 Unique 2.72, 3.78 A)
&rst
ixpk= 1135, nxpk= 20, iat= -1,1102, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1159,1163,
&end
#
# 69 PHE HZ 66 VAL HA 5.50 (# 1136:20 Unique 2.54, 3.90 A)
&rst
ixpk= 1136, nxpk= 20, iat=1161,1102, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 66 VAL MGX 66 VAL HB 4.50 (# 1138:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1138, nxpk= 20, iat= -1,1104, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1106,1107,1108,1110,1111,1112,
&end
#
# 66 VAL MGY 66 VAL HB 4.50 (# 1139:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1139, nxpk= 20, iat= -1,1104, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1106,1107,1108,1110,1111,1112,
&end
#
# 66 VAL HA 66 VAL MGX 3.50 (# 1142:20 Unique 2.26, 3.12 A)
&rst
ixpk= 1142, nxpk= 20, iat=1102, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1106,1107,1108,1110,1111,1112,
&end
#
# 45 LEU MDX 66 VAL MGX 5.50 (# 1143:20 Unique 1.99, 4.81 A)
&rst
ixpk= 1143, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 747, 748, 749, 751, 752, 753,
igr2=1106,1107,1108,1110,1111,1112,
&end
#
# 78 VAL HA 66 VAL MGX 5.50 (# 1145:20 Unique 3.01, 4.99 A)
&rst
ixpk= 1145, nxpk= 20, iat=1306, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1106,1107,1108,1110,1111,1112,
&end
#
# 69 PHE HE 66 VAL MGX 5.50 (# 1148:20 Unique 2.10, 5.23 A)
&rst
ixpk= 1148, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1159,1163,
igr2=1106,1107,1108,1110,1111,1112,
&end
#
# 81 TYR HD 66 VAL MGX 4.50 (# 1149:20 Unique 2.74, 7.06 A)
&rst
ixpk= 1149, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1366,1375,
igr2=1106,1107,1108,1110,1111,1112,
&end
#
# 0 AMB 20-2:1150 66 VAL MGX 3.50 (# 1150:20 Single Ambig)
&rst
ixpk= 1150, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1088,1096,1041,1050,1043,1048,
igr2=1106,1107,1108,1110,1111,1112,
&end
#
# 61 LEU MDX 66 VAL MGY 4.50 (# 1154:20 Unique 1.98, 5.98 A)
&rst
ixpk= 1154, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1023,1024,1025,1027,1028,1029,
igr2=1106,1107,1108,1110,1111,1112,
&end
#
# 45 LEU MDX 66 VAL MGY 4.50 (# 1155:20 Unique 1.99, 4.81 A)
&rst
ixpk= 1155, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 747, 748, 749, 751, 752, 753,
igr2=1106,1107,1108,1110,1111,1112,
&end
#
# 66 VAL HB 66 VAL MGY 3.50 (# 1156:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1156, nxpk= 20, iat=1104, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1106,1107,1108,1110,1111,1112,
&end
#
# 66 VAL HA 66 VAL MGY 3.50 (# 1157:20 Unique 2.26, 3.12 A)
&rst
ixpk= 1157, nxpk= 20, iat=1102, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1106,1107,1108,1110,1111,1112,
&end
#
# 61 LEU HG 66 VAL MGY 4.50 (# 1158:20 Unique 4.32, 6.65 A)
&rst
ixpk= 1158, nxpk= 20, iat=1021, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1106,1107,1108,1110,1111,1112,
&end
#
# 62 TYR HA 66 VAL MGY 3.50 (# 1159:20 Unique 1.97, 4.00 A)
&rst
ixpk= 1159, nxpk= 20, iat=1035, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1106,1107,1108,1110,1111,1112,
&end
#
# 62 TYR HB- 66 VAL MGY 5.50 (# 1161:20 Unique 2.40, 5.26 A)
&rst
ixpk= 1161, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1037,1038,
igr2=1106,1107,1108,1110,1111,1112,
&end
#
# 69 PHE HE 66 VAL MGY 5.50 (# 1162:20 Unique 2.10, 5.23 A)
&rst
ixpk= 1162, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1159,1163,
igr2=1106,1107,1108,1110,1111,1112,
&end
#
# 69 PHE HZ 66 VAL MGY 5.50 (# 1163:20 Unique 2.30, 5.39 A)
&rst
ixpk= 1163, nxpk= 20, iat=1161, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1106,1107,1108,1110,1111,1112,
&end
#
# 81 TYR HD 66 VAL MGY 5.50 (# 1164:20 Unique 2.74, 7.06 A)
&rst
ixpk= 1164, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1366,1375,
igr2=1106,1107,1108,1110,1111,1112,
&end
#
# 0 AMB 20-2:1165 66 VAL MGY 3.50 (# 1165:20 Single Ambig)
&rst
ixpk= 1165, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1088,1096,1041,1050,1043,1048,
igr2=1106,1107,1108,1110,1111,1112,
&end
#
# 106 PHE HE 66 VAL MGY 6.50 (# 1167:20 Unique 5.62, 8.38 A)
&rst
ixpk= 1167, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.84, r4=10.59,
igr1=1777,1781,
igr2=1106,1107,1108,1110,1111,1112,
&end
#
# 68 LYS HG- 68 LYS HA 4.50 (# 1174:20 Unique 2.64, 3.71 A)
&rst
ixpk= 1174, nxpk= 20, iat= -1,1129, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1134,1135,
&end
#
# 68 LYS HG+ 68 LYS HA 4.50 (# 1175:20 Unique 2.64, 3.71 A)
&rst
ixpk= 1175, nxpk= 20, iat= -1,1129, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1134,1135,
&end
#
# 68 LYS HB+ 68 LYS HA 3.50 (# 1177:20 Unique 2.27, 2.50 A)
&rst
ixpk= 1177, nxpk= 20, iat= -1,1129, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1131,1132,
&end
#
# 97 LYS HG- 97 LYS HB- 3.50 (# 1181:20 Unique 2.21, 2.59 A)
&rst
ixpk= 1181, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1620,1621,
igr2=1617,1618,
&end
#
# 68 LYS HA 68 LYS HG- 4.50 (# 1186:20 Unique 2.64, 3.71 A)
&rst
ixpk= 1186, nxpk= 20, iat=1129, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1134,1135,
&end
#
# 68 LYS HA 68 LYS HG+ 4.50 (# 1187:20 Unique 2.64, 3.71 A)
&rst
ixpk= 1187, nxpk= 20, iat=1129, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1134,1135,
&end
#
# 68 LYS HE+ 68 LYS HG+ 3.50 (# 1188:20 Unique 2.02, 3.05 A)
&rst
ixpk= 1188, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1140,1141,
igr2=1134,1135,
&end
#
# 68 LYS HE+ 68 LYS HG- 4.50 (# 1189:20 Unique 2.02, 3.05 A)
&rst
ixpk= 1189, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1140,1141,
igr2=1134,1135,
&end
#
# 7 ILE QD1 68 LYS HG+ 4.50 (# 1190:20 Unique 4.45, 6.16 A)
&rst
ixpk= 1190, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 114, 115, 116,
igr2=1134,1135,
&end
#
# 78 VAL MGY 70 TYR HA 6.50 (# 1198:20 Unique 3.38, 5.31 A)
&rst
ixpk= 1198, nxpk= 20, iat= -1,1171, r1= 0.00, r2= 1.80, r3= 8.76, r4= 9.51,
igr1=1310,1311,1312,1314,1315,1316,
&end
#
# 70 TYR HB- 70 TYR HA 3.50 (# 1199:20 Unique 2.23, 2.47 A)
&rst
ixpk= 1199, nxpk= 20, iat= -1,1171, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1173,1174,
&end
#
# 70 TYR HB+ 70 TYR HA 4.50 (# 1202:20 Unique 2.23, 2.47 A)
&rst
ixpk= 1202, nxpk= 20, iat= -1,1171, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1173,1174,
&end
#
# 70 TYR HA 70 TYR HB- 4.50 (# 1203:20 Unique 2.23, 2.47 A)
&rst
ixpk= 1203, nxpk= 20, iat=1171, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1173,1174,
&end
#
# 70 TYR HA 70 TYR HB+ 4.50 (# 1204:20 Unique 2.23, 2.47 A)
&rst
ixpk= 1204, nxpk= 20, iat=1171, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1173,1174,
&end
#
# 71 ASP HB- 71 ASP HA 3.50 (# 1214:20 Unique 2.24, 2.77 A)
&rst
ixpk= 1214, nxpk= 20, iat= -1,1192, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1194,1195,
&end
#
# 71 ASP HA 71 ASP HB- 3.50 (# 1218:20 Unique 2.24, 2.77 A)
&rst
ixpk= 1218, nxpk= 20, iat=1192, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1194,1195,
&end
#
# 101 ASP HA 101 ASP HB- 3.50 (# 1220:20 Unique 2.37, 2.81 A)
&rst
ixpk= 1220, nxpk= 20, iat=1689, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1691,1692,
&end
#
# 0 AMB 20-2:1224 101 ASP HB- 5.50 (# 1224:20 Single Ambig)
&rst
ixpk= 1224, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
igr1=1703,1704,1744,1745,1746,
igr2=1691,1692,
&end
#
# 72 LYS HG+ 72 LYS HA 5.50 (# 1225:20 Unique 2.20, 3.22 A)
&rst
ixpk= 1225, nxpk= 20, iat= -1,1204, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1209,1210,
&end
#
# 72 LYS HB- 72 LYS HA 4.50 (# 1226:20 Unique 2.33, 2.77 A)
&rst
ixpk= 1226, nxpk= 20, iat= -1,1204, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1206,1207,
&end
#
# 72 LYS HD- 72 LYS HA 4.50 (# 1227:20 Unique 1.98, 3.13 A)
&rst
ixpk= 1227, nxpk= 20, iat= -1,1204, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1212,1213,
&end
#
# 72 LYS HG- 72 LYS HA 4.50 (# 1228:20 Unique 2.20, 3.22 A)
&rst
ixpk= 1228, nxpk= 20, iat= -1,1204, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1209,1210,
&end
#
# 72 LYS HB+ 72 LYS HA 4.50 (# 1229:20 Unique 2.33, 2.77 A)
&rst
ixpk= 1229, nxpk= 20, iat= -1,1204, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1206,1207,
&end
#
# 72 LYS HD+ 72 LYS HA 3.50 (# 1232:20 Unique 1.98, 3.13 A)
&rst
ixpk= 1232, nxpk= 20, iat= -1,1204, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1212,1213,
&end
#
# 72 LYS HE- 72 LYS HG+ 5.50 (# 1234:20 Unique 1.99, 3.08 A)
&rst
ixpk= 1234, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1215,1216,
igr2=1209,1210,
&end
#
# 72 LYS HE+ 72 LYS HG+ 5.50 (# 1235:20 Unique 1.99, 3.08 A)
&rst
ixpk= 1235, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1215,1216,
igr2=1209,1210,
&end
#
# 72 LYS HA 72 LYS HG+ 5.50 (# 1236:20 Unique 2.20, 3.22 A)
&rst
ixpk= 1236, nxpk= 20, iat=1204, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1209,1210,
&end
#
# 72 LYS HE- 72 LYS HG- 4.50 (# 1238:20 Unique 1.99, 3.08 A)
&rst
ixpk= 1238, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1215,1216,
igr2=1209,1210,
&end
#
# 72 LYS HE+ 72 LYS HG- 4.50 (# 1239:20 Unique 1.99, 3.08 A)
&rst
ixpk= 1239, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1215,1216,
igr2=1209,1210,
&end
#
# 72 LYS HE+ 72 LYS HD+ 4.50 (# 1242:20 Unique 2.22, 2.68 A)
&rst
ixpk= 1242, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1215,1216,
igr2=1212,1213,
&end
#
# 72 LYS HE+ 72 LYS HD- 4.50 (# 1243:20 Unique 2.22, 2.68 A)
&rst
ixpk= 1243, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1215,1216,
igr2=1212,1213,
&end
#
# 72 LYS HE- 72 LYS HD- 4.50 (# 1244:20 Unique 2.22, 2.68 A)
&rst
ixpk= 1244, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1215,1216,
igr2=1212,1213,
&end
#
# 72 LYS HA 72 LYS HD- 4.50 (# 1245:20 Unique 1.98, 3.13 A)
&rst
ixpk= 1245, nxpk= 20, iat=1204, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1212,1213,
&end
#
# 72 LYS HA 72 LYS HD+ 4.50 (# 1246:20 Unique 1.98, 3.13 A)
&rst
ixpk= 1246, nxpk= 20, iat=1204, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1212,1213,
&end
#
# 72 LYS HG+ 72 LYS HE- 4.50 (# 1249:20 Unique 1.99, 3.08 A)
&rst
ixpk= 1249, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1209,1210,
igr2=1215,1216,
&end
#
# 72 LYS HG+ 72 LYS HE+ 4.50 (# 1250:20 Unique 1.99, 3.08 A)
&rst
ixpk= 1250, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1209,1210,
igr2=1215,1216,
&end
#
# 72 LYS HA 72 LYS HE+ 4.50 (# 1251:20 Unique 2.04, 3.94 A)
&rst
ixpk= 1251, nxpk= 20, iat=1204, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1215,1216,
&end
#
# 72 LYS HA 72 LYS HE- 4.50 (# 1252:20 Unique 2.04, 3.94 A)
&rst
ixpk= 1252, nxpk= 20, iat=1204, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1215,1216,
&end
#
# 38 TRP HZ2 72 LYS HE- 4.50 (# 1253:20 Unique 2.67, 4.84 A)
&rst
ixpk= 1253, nxpk= 20, iat= 634, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1215,1216,
&end
#
# 73 ILE QG2 73 ILE HA 3.50 (# 1259:20 Unique 2.06, 2.95 A)
&rst
ixpk= 1259, nxpk= 20, iat= -1,1226, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1230,1231,1232,
&end
#
# 73 ILE HA 73 ILE HB 4.50 (# 1262:20 Unique 2.37, 2.56 A)
&rst
ixpk= 1262, nxpk= 20, iat=1226,1228, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 73 ILE QG2 73 ILE HB 3.50 (# 1263:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1263, nxpk= 20, iat= -1,1228, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1230,1231,1232,
&end
#
# 73 ILE QD1 73 ILE HB 4.50 (# 1264:20 Unique 2.15, 3.11 A)
&rst
ixpk= 1264, nxpk= 20, iat= -1,1228, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1237,1238,1239,
&end
#
# 73 ILE HG1- 73 ILE HB 4.50 (# 1265:20 Unique 2.43, 2.76 A)
&rst
ixpk= 1265, nxpk= 20, iat= -1,1228, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1234,1235,
&end
#
# 73 ILE QD1 73 ILE HG1+ 4.50 (# 1266:20 Unique 2.20, 2.62 A)
&rst
ixpk= 1266, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1237,1238,1239,
igr2=1234,1235,
&end
#
# 73 ILE QG2 73 ILE HG1- 4.50 (# 1267:20 Unique 2.10, 3.48 A)
&rst
ixpk= 1267, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1230,1231,1232,
igr2=1234,1235,
&end
#
# 69 PHE HE 73 ILE QD1 4.50 (# 1270:20 Unique 3.27, 5.90 A)
&rst
ixpk= 1270, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1159,1163,
igr2=1237,1238,1239,
&end
#
# 81 TYR HD 73 ILE QD1 4.50 (# 1271:20 Unique 4.22, 7.63 A)
&rst
ixpk= 1271, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1366,1375,
igr2=1237,1238,1239,
&end
#
# 69 PHE HD 73 ILE QD1 3.50 (# 1273:20 Unique 1.98, 4.58 A)
&rst
ixpk= 1273, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1157,1165,
igr2=1237,1238,1239,
&end
#
# 73 ILE HA 73 ILE QD1 4.50 (# 1274:20 Unique 4.60, 5.07 A)
&rst
ixpk= 1274, nxpk= 20, iat=1226, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1237,1238,1239,
&end
#
# 42 SER HB- 73 ILE QD1 4.50 (# 1275:20 Unique 1.99, 3.57 A)
&rst
ixpk= 1275, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 705, 706,
igr2=1237,1238,1239,
&end
#
# 77 SER HA 73 ILE QD1 5.50 (# 1276:20 Unique 5.44, 7.25 A)
&rst
ixpk= 1276, nxpk= 20, iat=1295, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1237,1238,1239,
&end
#
# 69 PHE HB- 73 ILE QD1 5.50 (# 1278:20 Unique 1.99, 3.95 A)
&rst
ixpk= 1278, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1153,1154,
igr2=1237,1238,1239,
&end
#
# 73 ILE HB 73 ILE QD1 3.50 (# 1280:20 Unique 2.15, 3.11 A)
&rst
ixpk= 1280, nxpk= 20, iat=1228, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1237,1238,1239,
&end
#
# 41 LEU MDY 73 ILE QD1 4.50 (# 1281:20 Unique 3.76, 6.54 A)
&rst
ixpk= 1281, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 691, 692, 693, 695, 696, 697,
igr2=1237,1238,1239,
&end
#
# 73 ILE QG2 73 ILE QD1 3.50 (# 1283:20 Unique 1.98, 3.68 A)
&rst
ixpk= 1283, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1230,1231,1232,
igr2=1237,1238,1239,
&end
#
# 73 ILE HG1+ 73 ILE QD1 3.50 (# 1284:20 Unique 2.20, 2.62 A)
&rst
ixpk= 1284, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1234,1235,
igr2=1237,1238,1239,
&end
#
# 73 ILE HG1- 73 ILE QD1 3.50 (# 1285:20 Unique 2.20, 2.62 A)
&rst
ixpk= 1285, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1234,1235,
igr2=1237,1238,1239,
&end
#
# 41 LEU MDY 73 ILE QG2 5.50 (# 1287:20 Unique 3.63, 6.90 A)
&rst
ixpk= 1287, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 691, 692, 693, 695, 696, 697,
igr2=1230,1231,1232,
&end
#
# 73 ILE HB 73 ILE QG2 3.50 (# 1289:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1289, nxpk= 20, iat=1228, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1230,1231,1232,
&end
#
# 38 TRP HB+ 73 ILE QG2 4.50 (# 1290:20 Unique 1.99, 3.94 A)
&rst
ixpk= 1290, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 625, 626,
igr2=1230,1231,1232,
&end
#
# 38 TRP HB- 73 ILE QG2 4.50 (# 1291:20 Unique 1.99, 3.94 A)
&rst
ixpk= 1291, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 625, 626,
igr2=1230,1231,1232,
&end
#
# 42 SER HB+ 73 ILE QG2 4.50 (# 1294:20 Unique 1.99, 3.02 A)
&rst
ixpk= 1294, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 705, 706,
igr2=1230,1231,1232,
&end
#
# 73 ILE HA 73 ILE QG2 3.50 (# 1295:20 Unique 2.06, 2.95 A)
&rst
ixpk= 1295, nxpk= 20, iat=1226, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1230,1231,1232,
&end
#
# 69 PHE HD 73 ILE QG2 4.50 (# 1298:20 Unique 3.12, 6.38 A)
&rst
ixpk= 1298, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1157,1165,
igr2=1230,1231,1232,
&end
#
# 74 ASN HB+ 74 ASN HA 3.50 (# 1304:20 Unique 2.35, 2.81 A)
&rst
ixpk= 1304, nxpk= 20, iat= -1,1245, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1247,1248,
&end
#
# 1 MET HG+ 1 MET HA 4.50 (# 1306:20 Unique 2.08, 2.99 A)
&rst
ixpk= 1306, nxpk= 20, iat= -1, 6, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 11, 12,
&end
#
# 74 ASN HA 74 ASN HB+ 3.50 (# 1310:20 Unique 2.35, 2.81 A)
&rst
ixpk= 1310, nxpk= 20, iat=1245, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1247,1248,
&end
#
# 0 AMB 20-2:1311 0 AMB 20-1:1311 3.50 (# 1311:20 Double Ambig)
&rst
ixpk= 1311, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=2170,1637,1615,
igr2=2116,2117,2118,2120,2121,2122,1665,1666,1667,1669,
1670,1671,
&end
#
# 78 VAL MGY 78 VAL HA 3.50 (# 1317:20 Unique 2.28, 3.55 A)
&rst
ixpk= 1317, nxpk= 20, iat= -1,1306, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1310,1311,1312,1314,1315,1316,
&end
#
# 78 VAL MGX 78 VAL HA 3.50 (# 1318:20 Unique 2.28, 3.55 A)
&rst
ixpk= 1318, nxpk= 20, iat= -1,1306, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1310,1311,1312,1314,1315,1316,
&end
#
# 81 TYR HD 78 VAL HA 4.50 (# 1320:20 Unique 2.04, 4.13 A)
&rst
ixpk= 1320, nxpk= 20, iat= -1,1306, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1366,1375,
&end
#
# 78 VAL MGX 78 VAL HB 3.50 (# 1322:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1322, nxpk= 20, iat= -1,1308, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1310,1311,1312,1314,1315,1316,
&end
#
# 78 VAL MGY 78 VAL HB 3.50 (# 1323:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1323, nxpk= 20, iat= -1,1308, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1310,1311,1312,1314,1315,1316,
&end
#
# 0 AMB 20-2:1328 78 VAL MGY 5.50 (# 1328:20 Single Ambig)
&rst
ixpk= 1328, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1177,1186,1775,1783,
igr2=1310,1311,1312,1314,1315,1316,
&end
#
# 0 AMB 20-2:1329 78 VAL MGY 4.50 (# 1329:20 Single Ambig)
&rst
ixpk= 1329, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1041,1050,1043,1048,
igr2=1310,1311,1312,1314,1315,1316,
&end
#
# 81 TYR HD 78 VAL MGY 4.50 (# 1330:20 Unique 3.43, 7.16 A)
&rst
ixpk= 1330, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1366,1375,
igr2=1310,1311,1312,1314,1315,1316,
&end
#
# 78 VAL HA 78 VAL MGY 3.50 (# 1333:20 Unique 2.28, 3.55 A)
&rst
ixpk= 1333, nxpk= 20, iat=1306, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1310,1311,1312,1314,1315,1316,
&end
#
# 78 VAL HB 78 VAL MGY 3.50 (# 1334:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1334, nxpk= 20, iat=1308, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1310,1311,1312,1314,1315,1316,
&end
#
# 66 VAL MGX 78 VAL MGY 3.50 (# 1336:20 Unique 1.96, 5.81 A)
&rst
ixpk= 1336, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1106,1107,1108,1110,1111,1112,
igr2=1310,1311,1312,1314,1315,1316,
&end
#
# 102 LEU MDX 78 VAL MGX 5.50 (# 1337:20 Unique 2.85, 5.71 A)
&rst
ixpk= 1337, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=1708,1709,1710,1712,1713,1714,
igr2=1310,1311,1312,1314,1315,1316,
&end
#
# 0 AMB 20-2:1338 78 VAL MGX 5.50 (# 1338:20 Single Ambig)
&rst
ixpk= 1338, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.69, r4=11.44,
igr1=2139,2140,2141,1665,1666,1667,1669,1670,1671,
igr2=1310,1311,1312,1314,1315,1316,
&end
#
# 78 VAL HB 78 VAL MGX 3.50 (# 1340:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1340, nxpk= 20, iat=1308, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1310,1311,1312,1314,1315,1316,
&end
#
# 70 TYR HB+ 78 VAL MGX 6.50 (# 1342:20 Unique 1.98, 6.46 A)
&rst
ixpk= 1342, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.84, r4=10.59,
igr1=1173,1174,
igr2=1310,1311,1312,1314,1315,1316,
&end
#
# 78 VAL HA 78 VAL MGX 3.50 (# 1343:20 Unique 2.28, 3.55 A)
&rst
ixpk= 1343, nxpk= 20, iat=1306, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1310,1311,1312,1314,1315,1316,
&end
#
# 79 VAL HA 78 VAL MGX 4.50 (# 1344:20 Unique 2.98, 4.58 A)
&rst
ixpk= 1344, nxpk= 20, iat=1322, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1310,1311,1312,1314,1315,1316,
&end
#
# 81 TYR HD 78 VAL MGX 4.50 (# 1346:20 Unique 3.43, 7.16 A)
&rst
ixpk= 1346, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1366,1375,
igr2=1310,1311,1312,1314,1315,1316,
&end
#
# 0 AMB 20-2:1347 78 VAL MGX 5.50 (# 1347:20 Single Ambig)
&rst
ixpk= 1347, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1041,1050,1043,1048,
igr2=1310,1311,1312,1314,1315,1316,
&end
#
# 0 AMB 20-2:1348 78 VAL MGX 5.50 (# 1348:20 Single Ambig)
&rst
ixpk= 1348, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1177,1186,1775,1783,
igr2=1310,1311,1312,1314,1315,1316,
&end
#
# 79 VAL MGX 79 VAL HA 4.50 (# 1353:20 Unique 2.33, 3.46 A)
&rst
ixpk= 1353, nxpk= 20, iat= -1,1322, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1326,1327,1328,1330,1331,1332,
&end
#
# 79 VAL HB 79 VAL HA 5.50 (# 1354:20 Unique 2.44, 2.48 A)
&rst
ixpk= 1354, nxpk= 20, iat=1324,1322, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 79 VAL MGY 79 VAL HA 4.50 (# 1355:20 Unique 2.33, 3.46 A)
&rst
ixpk= 1355, nxpk= 20, iat= -1,1322, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1326,1327,1328,1330,1331,1332,
&end
#
# 0 AMB 20-2:1357 79 VAL HA 5.50 (# 1357:20 Single Ambig)
&rst
ixpk= 1357, nxpk= 20, iat= -1,1322, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1383,1384,1310,1311,1312,1314,1315,1316,
&end
#
# 0 AMB 20-2:1358 79 VAL MGX 3.50 (# 1358:20 Single Ambig)
&rst
ixpk= 1358, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2139,2140,2141,1665,1666,1667,1669,1670,1671,1407,
1408,1409,1411,1412,1413,
igr2=1326,1327,1328,1330,1331,1332,
&end
#
# 79 VAL HB 79 VAL MGX 3.50 (# 1359:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1359, nxpk= 20, iat=1324, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1326,1327,1328,1330,1331,1332,
&end
#
# 79 VAL HA 79 VAL MGX 4.50 (# 1360:20 Unique 2.33, 3.46 A)
&rst
ixpk= 1360, nxpk= 20, iat=1322, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1326,1327,1328,1330,1331,1332,
&end
#
# 0 AMB 20-2:1361 79 VAL MGX 4.50 (# 1361:20 Single Ambig)
&rst
ixpk= 1361, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=2064,2065,1720,
igr2=1326,1327,1328,1330,1331,1332,
&end
#
# 106 PHE HE 79 VAL MGX 5.50 (# 1364:20 Unique 2.01, 6.56 A)
&rst
ixpk= 1364, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1777,1781,
igr2=1326,1327,1328,1330,1331,1332,
&end
#
# 79 VAL HB 79 VAL MGY 3.50 (# 1369:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1369, nxpk= 20, iat=1324, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1326,1327,1328,1330,1331,1332,
&end
#
# 79 VAL HA 79 VAL MGY 3.50 (# 1370:20 Unique 2.33, 3.46 A)
&rst
ixpk= 1370, nxpk= 20, iat=1322, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1326,1327,1328,1330,1331,1332,
&end
#
# 0 AMB 20-2:1374 0 AMB 20-1:1374 3.50 (# 1374:20 Double Ambig)
&rst
ixpk= 1374, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1338,1360,
igr2=1340,1341,1340,1341,
&end
#
# 0 AMB 20-2:1384 0 AMB 20-1:1384 5.50 (# 1384:20 Double Ambig)
&rst
ixpk= 1384, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1419,1885,
igr2=1467,1468,1893,1894,
&end
#
# 0 AMB 20-2:1385 0 AMB 20-1:1385 3.50 (# 1385:20 Double Ambig)
&rst
ixpk= 1385, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1459,1854,1855,
igr2=1467,1468,1871,1872,
&end
#
# 82 LEU MDX 82 LEU HA 4.50 (# 1386:20 Unique 2.00, 4.37 A)
&rst
ixpk= 1386, nxpk= 20, iat= -1,1381, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1388,1389,1390,1392,1393,1394,
&end
#
# 82 LEU MDY 82 LEU HA 4.50 (# 1387:20 Unique 2.00, 4.37 A)
&rst
ixpk= 1387, nxpk= 20, iat= -1,1381, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1388,1389,1390,1392,1393,1394,
&end
#
# 82 LEU HB- 82 LEU HA 4.50 (# 1388:20 Unique 2.22, 2.54 A)
&rst
ixpk= 1388, nxpk= 20, iat= -1,1381, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1383,1384,
&end
#
# 82 LEU HB+ 82 LEU HA 5.50 (# 1389:20 Unique 2.22, 2.54 A)
&rst
ixpk= 1389, nxpk= 20, iat= -1,1381, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1383,1384,
&end
#
# 15 ARG HB+ 15 ARG HG+ 4.50 (# 1391:20 Unique 2.21, 2.68 A)
&rst
ixpk= 1391, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 232, 233,
igr2= 235, 236,
&end
#
# 0 AMB 20-2:1392 82 LEU MDY 3.50 (# 1392:20 Single Ambig)
&rst
ixpk= 1392, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.53, r4= 7.28,
igr1=1386,1310,1311,1312,1314,1315,1316,
igr2=1388,1389,1390,1392,1393,1394,
&end
#
# 82 LEU HA 82 LEU MDY 4.50 (# 1393:20 Unique 2.00, 4.37 A)
&rst
ixpk= 1393, nxpk= 20, iat=1381, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1388,1389,1390,1392,1393,1394,
&end
#
# 98 TYR HD 82 LEU MDY 5.50 (# 1394:20 Unique 2.09, 5.95 A)
&rst
ixpk= 1394, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1643,1652,
igr2=1388,1389,1390,1392,1393,1394,
&end
#
# 59 LEU MDY 82 LEU MDX 4.50 (# 1398:20 Unique 2.19, 7.80 A)
&rst
ixpk= 1398, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 980, 981, 982, 984, 985, 986,
igr2=1388,1389,1390,1392,1393,1394,
&end
#
# 86 LEU MDX 82 LEU MDX 3.50 (# 1399:20 Unique 1.99, 4.70 A)
&rst
ixpk= 1399, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1447,1448,1449,1451,1452,1453,
igr2=1388,1389,1390,1392,1393,1394,
&end
#
# 0 AMB 20-2:1401 82 LEU MDX 3.50 (# 1401:20 Single Ambig)
&rst
ixpk= 1401, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.53, r4= 7.28,
igr1=1386,1310,1311,1312,1314,1315,1316,
igr2=1388,1389,1390,1392,1393,1394,
&end
#
# 82 LEU HB+ 82 LEU MDX 4.50 (# 1402:20 Unique 2.02, 3.25 A)
&rst
ixpk= 1402, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1383,1384,
igr2=1388,1389,1390,1392,1393,1394,
&end
#
# 59 LEU HG 82 LEU MDX 4.50 (# 1404:20 Unique 3.46, 7.29 A)
&rst
ixpk= 1404, nxpk= 20, iat= 978, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1388,1389,1390,1392,1393,1394,
&end
#
# 98 TYR HB+ 82 LEU MDX 4.50 (# 1405:20 Unique 2.23, 4.63 A)
&rst
ixpk= 1405, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1639,1640,
igr2=1388,1389,1390,1392,1393,1394,
&end
#
# 98 TYR HB- 82 LEU MDX 4.50 (# 1406:20 Unique 2.23, 4.63 A)
&rst
ixpk= 1406, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1639,1640,
igr2=1388,1389,1390,1392,1393,1394,
&end
#
# 82 LEU HA 82 LEU MDX 3.50 (# 1407:20 Unique 2.00, 4.37 A)
&rst
ixpk= 1407, nxpk= 20, iat=1381, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1388,1389,1390,1392,1393,1394,
&end
#
# 0 AMB 20-2:1410 82 LEU MDX 4.50 (# 1410:20 Single Ambig)
&rst
ixpk= 1410, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1043,1048,1041,1050,
igr2=1388,1389,1390,1392,1393,1394,
&end
#
# 98 TYR HD 82 LEU MDX 4.50 (# 1412:20 Unique 2.09, 5.95 A)
&rst
ixpk= 1412, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1643,1652,
igr2=1388,1389,1390,1392,1393,1394,
&end
#
# 124 ASP HA 0 AMB 20-1:1432 3.50 (# 1432:20 Single Ambig)
&rst
ixpk= 1432, nxpk= 20, iat=2052, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr2=2116,2117,2118,2120,2121,2122,2097,2098,2099,2101,
2102,2103,
&end
#
# 84 ALA MB 84 ALA HA 3.50 (# 1433:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1433, nxpk= 20, iat= -1,1419, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1421,1422,1423,
&end
#
# 81 TYR HA 84 ALA MB 6.50 (# 1436:20 Unique 2.32, 3.65 A)
&rst
ixpk= 1436, nxpk= 20, iat=1360, -1, r1= 0.00, r2= 1.80, r3= 7.81, r4= 8.56,
igr2=1421,1422,1423,
&end
#
# 84 ALA HA 84 ALA MB 3.50 (# 1437:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1437, nxpk= 20, iat=1419, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1421,1422,1423,
&end
#
# 81 TYR HD 84 ALA MB 5.50 (# 1438:20 Unique 3.71, 6.66 A)
&rst
ixpk= 1438, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1366,1375,
igr2=1421,1422,1423,
&end
#
# 49 PHE HD 84 ALA MB 3.50 (# 1439:20 Unique 2.44, 5.18 A)
&rst
ixpk= 1439, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 821, 829,
igr2=1421,1422,1423,
&end
#
# 101 ASP HB+ 98 TYR HA 4.50 (# 1453:20 Unique 3.35, 4.29 A)
&rst
ixpk= 1453, nxpk= 20, iat= -1,1637, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1691,1692,
&end
#
# 86 LEU MDX 86 LEU HA 3.50 (# 1456:20 Unique 2.03, 3.77 A)
&rst
ixpk= 1456, nxpk= 20, iat= -1,1440, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1447,1448,1449,1451,1452,1453,
&end
#
# 86 LEU MDY 86 LEU HA 4.50 (# 1457:20 Unique 2.03, 3.77 A)
&rst
ixpk= 1457, nxpk= 20, iat= -1,1440, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1447,1448,1449,1451,1452,1453,
&end
#
# 82 LEU MDX 86 LEU MDX 4.50 (# 1458:20 Unique 1.99, 4.70 A)
&rst
ixpk= 1458, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1388,1389,1390,1392,1393,1394,
igr2=1447,1448,1449,1451,1452,1453,
&end
#
# 59 LEU MDY 86 LEU MDX 3.50 (# 1460:20 Unique 1.99, 5.25 A)
&rst
ixpk= 1460, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 980, 981, 982, 984, 985, 986,
igr2=1447,1448,1449,1451,1452,1453,
&end
#
# 86 LEU HB+ 86 LEU MDX 3.50 (# 1461:20 Unique 2.10, 3.30 A)
&rst
ixpk= 1461, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1442,1443,
igr2=1447,1448,1449,1451,1452,1453,
&end
#
# 86 LEU HG 86 LEU MDX 3.50 (# 1462:20 Unique 2.21, 2.63 A)
&rst
ixpk= 1462, nxpk= 20, iat=1445, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1447,1448,1449,1451,1452,1453,
&end
#
# 95 SER HA 86 LEU MDX 4.50 (# 1465:20 Unique 1.97, 3.89 A)
&rst
ixpk= 1465, nxpk= 20, iat=1585, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1447,1448,1449,1451,1452,1453,
&end
#
# 86 LEU HA 86 LEU MDX 3.50 (# 1466:20 Unique 2.03, 3.77 A)
&rst
ixpk= 1466, nxpk= 20, iat=1440, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1447,1448,1449,1451,1452,1453,
&end
#
# 98 TYR HE 86 LEU MDX 5.50 (# 1467:20 Unique 2.55, 5.43 A)
&rst
ixpk= 1467, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1645,1650,
igr2=1447,1448,1449,1451,1452,1453,
&end
#
# 98 TYR HD 86 LEU MDX 4.50 (# 1468:20 Unique 1.95, 4.51 A)
&rst
ixpk= 1468, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1643,1652,
igr2=1447,1448,1449,1451,1452,1453,
&end
#
# 86 LEU HB+ 86 LEU MDY 3.50 (# 1473:20 Unique 2.10, 3.30 A)
&rst
ixpk= 1473, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1442,1443,
igr2=1447,1448,1449,1451,1452,1453,
&end
#
# 83 LEU HA 86 LEU MDY 6.50 (# 1475:20 Unique 2.52, 4.69 A)
&rst
ixpk= 1475, nxpk= 20, iat=1400, -1, r1= 0.00, r2= 1.80, r3= 8.76, r4= 9.51,
igr2=1447,1448,1449,1451,1452,1453,
&end
#
# 99 LEU HA 99 LEU MDX 3.50 (# 1476:20 Unique 1.99, 3.09 A)
&rst
ixpk= 1476, nxpk= 20, iat=1658, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1665,1666,1667,1669,1670,1671,
&end
#
# 86 LEU HA 86 LEU MDY 4.50 (# 1477:20 Unique 2.03, 3.77 A)
&rst
ixpk= 1477, nxpk= 20, iat=1440, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1447,1448,1449,1451,1452,1453,
&end
#
# 95 SER HA 0 AMB 20-1:1478 4.50 (# 1478:20 Single Ambig)
&rst
ixpk= 1478, nxpk= 20, iat=1585, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr2=1447,1448,1449,1451,1452,1453,1665,1666,1667,1669,
1670,1671,
&end
#
# 98 TYR HD 86 LEU MDY 5.50 (# 1479:20 Unique 1.95, 4.51 A)
&rst
ixpk= 1479, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1643,1652,
igr2=1447,1448,1449,1451,1452,1453,
&end
#
# 87 LYS HB+ 87 LYS HA 3.50 (# 1484:20 Unique 2.27, 2.66 A)
&rst
ixpk= 1484, nxpk= 20, iat= -1,1459, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1461,1462,
&end
#
# 87 LYS HG- 87 LYS HA 3.50 (# 1485:20 Unique 2.70, 3.51 A)
&rst
ixpk= 1485, nxpk= 20, iat= -1,1459, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1464,1465,
&end
#
# 87 LYS HA 87 LYS HB- 3.50 (# 1489:20 Unique 2.27, 2.66 A)
&rst
ixpk= 1489, nxpk= 20, iat=1459, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1461,1462,
&end
#
# 87 LYS HA 87 LYS HB+ 3.50 (# 1491:20 Unique 2.27, 2.66 A)
&rst
ixpk= 1491, nxpk= 20, iat=1459, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1461,1462,
&end
#
# 87 LYS HG- 87 LYS HB+ 2.80 (# 1492:20 Unique 2.26, 2.62 A)
&rst
ixpk= 1492, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1464,1465,
igr2=1461,1462,
&end
#
# 87 LYS HA 87 LYS HG- 3.50 (# 1495:20 Unique 2.70, 3.51 A)
&rst
ixpk= 1495, nxpk= 20, iat=1459, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1464,1465,
&end
#
# 84 ALA HA 87 LYS HG- 3.50 (# 1496:20 Unique 1.98, 3.47 A)
&rst
ixpk= 1496, nxpk= 20, iat=1419, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1464,1465,
&end
#
# 87 LYS HE+ 87 LYS HG- 2.80 (# 1497:20 Unique 2.00, 3.10 A)
&rst
ixpk= 1497, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1470,1471,
igr2=1464,1465,
&end
#
# 89 SER HB- 89 SER HA 3.50 (# 1502:20 Unique 2.30, 2.77 A)
&rst
ixpk= 1502, nxpk= 20, iat= -1,1493, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1495,1496,
&end
#
# 89 SER HB+ 89 SER HA 3.50 (# 1503:20 Unique 2.30, 2.77 A)
&rst
ixpk= 1503, nxpk= 20, iat= -1,1493, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1495,1496,
&end
#
# 0 AMB 20-2:1506 89 SER HB- 3.50 (# 1506:20 Single Ambig)
&rst
ixpk= 1506, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1493,1440,
igr2=1495,1496,
&end
#
# 0 AMB 20-2:1507 0 AMB 20-1:1507 3.50 (# 1507:20 Double Ambig)
&rst
ixpk= 1507, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1493,1440,
igr2=1495,1496,1495,1496,
&end
#
# 90 LYS HD+ 89 SER HB+ 5.50 (# 1508:20 Unique 3.28, 5.22 A)
&rst
ixpk= 1508, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1512,1513,
igr2=1495,1496,
&end
#
# 0 AMB 20-2:1509 89 SER HB- 4.50 (# 1509:20 Single Ambig)
&rst
ixpk= 1509, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1512,1513,1445,
igr2=1495,1496,
&end
#
# 90 LYS HG+ 90 LYS HA 4.50 (# 1510:20 Unique 2.28, 3.61 A)
&rst
ixpk= 1510, nxpk= 20, iat= -1,1504, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1509,1510,
&end
#
# 90 LYS HD+ 90 LYS HA 3.50 (# 1511:20 Unique 2.35, 3.79 A)
&rst
ixpk= 1511, nxpk= 20, iat= -1,1504, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1512,1513,
&end
#
# 90 LYS HB- 90 LYS HA 3.50 (# 1512:20 Unique 2.28, 2.58 A)
&rst
ixpk= 1512, nxpk= 20, iat= -1,1504, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1506,1507,
&end
#
# 90 LYS HG- 90 LYS HA 4.50 (# 1515:20 Unique 2.28, 3.61 A)
&rst
ixpk= 1515, nxpk= 20, iat= -1,1504, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1509,1510,
&end
#
# 90 LYS HA 90 LYS HB+ 4.50 (# 1518:20 Unique 2.28, 2.58 A)
&rst
ixpk= 1518, nxpk= 20, iat=1504, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1506,1507,
&end
#
# 91 ASP HA 91 ASP HB+ 4.50 (# 1525:20 Unique 2.34, 2.81 A)
&rst
ixpk= 1525, nxpk= 20, iat=1526, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1528,1529,
&end
#
# 91 ASP HA 91 ASP HB- 4.50 (# 1526:20 Unique 2.34, 2.81 A)
&rst
ixpk= 1526, nxpk= 20, iat=1526, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1528,1529,
&end
#
# 108 GLU HG+ 108 GLU HA 3.50 (# 1533:20 Unique 2.03, 2.78 A)
&rst
ixpk= 1533, nxpk= 20, iat= -1,1806, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1811,1812,
&end
#
# 94 GLU HA 94 GLU HB- 3.50 (# 1534:20 Unique 2.57, 2.83 A)
&rst
ixpk= 1534, nxpk= 20, iat=1570, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1572,1573,
&end
#
# 94 GLU HA 94 GLU HG- 3.50 (# 1537:20 Unique 2.08, 2.79 A)
&rst
ixpk= 1537, nxpk= 20, iat=1570, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1575,1576,
&end
#
# 98 TYR HE 94 GLU HG- 4.50 (# 1538:20 Unique 2.13, 4.67 A)
&rst
ixpk= 1538, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1645,1650,
igr2=1575,1576,
&end
#
# 98 TYR HD 94 GLU HG- 5.50 (# 1539:20 Unique 3.13, 5.53 A)
&rst
ixpk= 1539, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1643,1652,
igr2=1575,1576,
&end
#
# 91 ASP HB+ 94 GLU HG+ 4.50 (# 1542:20 Unique 2.04, 4.41 A)
&rst
ixpk= 1542, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1528,1529,
igr2=1575,1576,
&end
#
# 73 ILE HG1+ 73 ILE HA 5.50 (# 1544:20 Unique 3.52, 3.68 A)
&rst
ixpk= 1544, nxpk= 20, iat= -1,1226, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1234,1235,
&end
#
# 93 ASP HB+ 93 ASP HA 4.50 (# 1545:20 Unique 2.33, 2.75 A)
&rst
ixpk= 1545, nxpk= 20, iat= -1,1558, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1560,1561,
&end
#
# 0 AMB 20-2:1546 93 ASP HA 4.50 (# 1546:20 Single Ambig)
&rst
ixpk= 1546, nxpk= 20, iat= -1,1558, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1560,1561,2335,2336,
&end
#
# 96 LEU MDX 96 LEU HA 3.50 (# 1549:20 Unique 2.01, 3.75 A)
&rst
ixpk= 1549, nxpk= 20, iat= -1,1596, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1603,1604,1605,1607,1608,1609,
&end
#
# 0 AMB 20-2:1550 0 AMB 20-1:1550 4.50 (# 1550:20 Double Ambig)
&rst
ixpk= 1550, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=2193,2194,1598,1599,1660,1661,1660,1661,
igr2=1596,1658,
&end
#
# 96 LEU HG 96 LEU HA 4.50 (# 1551:20 Unique 2.51, 3.03 A)
&rst
ixpk= 1551, nxpk= 20, iat=1601,1596, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 95 SER HB- 96 LEU HB- 4.50 (# 1553:20 Unique 3.64, 5.65 A)
&rst
ixpk= 1553, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1587,1588,
igr2=1598,1599,
&end
#
# 0 AMB 20-2:1557 96 LEU MDX 3.50 (# 1557:20 Single Ambig)
&rst
ixpk= 1557, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1601,2313,2314,
igr2=1603,1604,1605,1607,1608,1609,
&end
#
# 0 AMB 20-2:1558 96 LEU MDX 3.50 (# 1558:20 Single Ambig)
&rst
ixpk= 1558, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1598,1599,2193,2194,
igr2=1603,1604,1605,1607,1608,1609,
&end
#
# 96 LEU HA 96 LEU MDX 3.50 (# 1560:20 Unique 2.01, 3.75 A)
&rst
ixpk= 1560, nxpk= 20, iat=1596, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1603,1604,1605,1607,1608,1609,
&end
#
# 0 AMB 20-2:1568 99 LEU MDX 4.50 (# 1568:20 Single Ambig)
&rst
ixpk= 1568, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=2128,2185,
igr2=1665,1666,1667,1669,1670,1671,
&end
#
# 94 GLU HB- 99 LEU MDX 6.50 (# 1570:20 Unique 6.76, 9.70 A)
&rst
ixpk= 1570, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.84, r4=10.59,
igr1=1572,1573,
igr2=1665,1666,1667,1669,1670,1671,
&end
#
# 99 LEU HB+ 99 LEU MDX 3.50 (# 1571:20 Unique 2.38, 3.48 A)
&rst
ixpk= 1571, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1660,1661,
igr2=1665,1666,1667,1669,1670,1671,
&end
#
# 0 AMB 20-2:1572 99 LEU MDX 3.50 (# 1572:20 Single Ambig)
&rst
ixpk= 1572, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1663,1383,1384,
igr2=1665,1666,1667,1669,1670,1671,
&end
#
# 97 LYS HB- 97 LYS HA 3.50 (# 1573:20 Unique 2.35, 2.80 A)
&rst
ixpk= 1573, nxpk= 20, iat= -1,1615, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1617,1618,
&end
#
# 97 LYS HD+ 97 LYS HA 4.50 (# 1575:20 Unique 2.27, 3.07 A)
&rst
ixpk= 1575, nxpk= 20, iat= -1,1615, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1623,1624,
&end
#
# 97 LYS HG+ 97 LYS HA 4.50 (# 1576:20 Unique 2.07, 3.05 A)
&rst
ixpk= 1576, nxpk= 20, iat= -1,1615, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1620,1621,
&end
#
# 0 AMB 20-2:1577 97 LYS HB- 3.50 (# 1577:20 Single Ambig)
&rst
ixpk= 1577, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1615,1637,
igr2=1617,1618,
&end
#
# 97 LYS HG- 97 LYS HB+ 3.50 (# 1582:20 Unique 2.21, 2.59 A)
&rst
ixpk= 1582, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1620,1621,
igr2=1617,1618,
&end
#
# 97 LYS HB- 97 LYS HG- 3.50 (# 1584:20 Unique 2.21, 2.59 A)
&rst
ixpk= 1584, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1617,1618,
igr2=1620,1621,
&end
#
# 97 LYS HB+ 97 LYS HG- 3.50 (# 1585:20 Unique 2.21, 2.59 A)
&rst
ixpk= 1585, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1617,1618,
igr2=1620,1621,
&end
#
# 97 LYS HB+ 97 LYS HG+ 3.50 (# 1586:20 Unique 2.21, 2.59 A)
&rst
ixpk= 1586, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1617,1618,
igr2=1620,1621,
&end
#
# 97 LYS HB- 97 LYS HG+ 2.80 (# 1587:20 Unique 2.21, 2.59 A)
&rst
ixpk= 1587, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1617,1618,
igr2=1620,1621,
&end
#
# 0 AMB 20-2:1588 0 AMB 20-1:1588 4.50 (# 1588:20 Double Ambig)
&rst
ixpk= 1588, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1626,1627,1560,1561,
igr2=1620,1621,1620,1621,
&end
#
# 97 LYS HA 97 LYS HG- 4.50 (# 1589:20 Unique 2.07, 3.05 A)
&rst
ixpk= 1589, nxpk= 20, iat=1615, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1620,1621,
&end
#
# 97 LYS HE+ 97 LYS HG- 5.50 (# 1590:20 Unique 2.12, 3.01 A)
&rst
ixpk= 1590, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1626,1627,
igr2=1620,1621,
&end
#
# 0 AMB 20-2:1591 97 LYS HG- 4.50 (# 1591:20 Single Ambig)
&rst
ixpk= 1591, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1626,1627,1560,1561,
igr2=1620,1621,
&end
#
# 97 LYS HA 97 LYS HG+ 3.50 (# 1592:20 Unique 2.07, 3.05 A)
&rst
ixpk= 1592, nxpk= 20, iat=1615, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1620,1621,
&end
#
# 97 LYS HG- 97 LYS HD+ 3.50 (# 1601:20 Unique 2.22, 2.71 A)
&rst
ixpk= 1601, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1620,1621,
igr2=1623,1624,
&end
#
# 97 LYS HB- 97 LYS HD+ 4.50 (# 1602:20 Unique 2.05, 3.29 A)
&rst
ixpk= 1602, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1617,1618,
igr2=1623,1624,
&end
#
# 97 LYS HB+ 97 LYS HD+ 4.50 (# 1603:20 Unique 2.05, 3.29 A)
&rst
ixpk= 1603, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1617,1618,
igr2=1623,1624,
&end
#
# 97 LYS HB+ 97 LYS HD- 3.50 (# 1604:20 Unique 2.05, 3.29 A)
&rst
ixpk= 1604, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1617,1618,
igr2=1623,1624,
&end
#
# 97 LYS HB- 97 LYS HD- 3.50 (# 1605:20 Unique 2.05, 3.29 A)
&rst
ixpk= 1605, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1617,1618,
igr2=1623,1624,
&end
#
# 0 AMB 20-2:1607 97 LYS HD- 3.50 (# 1607:20 Single Ambig)
&rst
ixpk= 1607, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1560,1561,1626,1627,
igr2=1623,1624,
&end
#
# 31 LYS HE+ 31 LYS HD- 3.50 (# 1608:20 Unique 2.22, 2.65 A)
&rst
ixpk= 1608, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 500, 501,
igr2= 497, 498,
&end
#
# 97 LYS HA 97 LYS HD- 4.50 (# 1609:20 Unique 2.27, 3.07 A)
&rst
ixpk= 1609, nxpk= 20, iat=1615, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1623,1624,
&end
#
# 97 LYS HG- 97 LYS HE+ 3.50 (# 1613:20 Unique 2.12, 3.01 A)
&rst
ixpk= 1613, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1620,1621,
igr2=1626,1627,
&end
#
# 97 LYS HG- 97 LYS HE- 4.50 (# 1614:20 Unique 2.12, 3.01 A)
&rst
ixpk= 1614, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1620,1621,
igr2=1626,1627,
&end
#
# 97 LYS HD+ 97 LYS HE- 3.50 (# 1615:20 Unique 2.22, 2.68 A)
&rst
ixpk= 1615, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1623,1624,
igr2=1626,1627,
&end
#
# 97 LYS HB+ 97 LYS HE- 4.50 (# 1616:20 Unique 3.11, 4.35 A)
&rst
ixpk= 1616, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1617,1618,
igr2=1626,1627,
&end
#
# 97 LYS HD- 97 LYS HE- 3.50 (# 1617:20 Unique 2.22, 2.68 A)
&rst
ixpk= 1617, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1623,1624,
igr2=1626,1627,
&end
#
# 97 LYS HB+ 97 LYS HE+ 4.50 (# 1619:20 Unique 3.11, 4.35 A)
&rst
ixpk= 1619, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1617,1618,
igr2=1626,1627,
&end
#
# 0 AMB 20-2:1621 0 AMB 20-1:1621 4.50 (# 1621:20 Double Ambig)
&rst
ixpk= 1621, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1615,2252,
igr2=1626,1627,1626,1627,
&end
#
# 101 ASP HB- 98 TYR HA 5.50 (# 1627:20 Unique 3.35, 4.29 A)
&rst
ixpk= 1627, nxpk= 20, iat= -1,1637, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1691,1692,
&end
#
# 98 TYR HB- 98 TYR HA 4.50 (# 1629:20 Unique 2.63, 2.82 A)
&rst
ixpk= 1629, nxpk= 20, iat= -1,1637, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1639,1640,
&end
#
# 98 TYR HD 98 TYR HA 4.50 (# 1630:20 Unique 2.21, 3.34 A)
&rst
ixpk= 1630, nxpk= 20, iat= -1,1637, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1643,1652,
&end
#
# 98 TYR HE 98 TYR HA 5.50 (# 1631:20 Unique 4.33, 5.06 A)
&rst
ixpk= 1631, nxpk= 20, iat= -1,1637, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1645,1650,
&end
#
# 0 AMB 20-2:1633 103 LYS HA 5.50 (# 1633:20 Single Ambig)
&rst
ixpk= 1633, nxpk= 20, iat= -1,1720, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1708,1709,1710,1712,1713,1714,2139,2140,2141,
&end
#
# 103 LYS HB+ 103 LYS HA 5.50 (# 1636:20 Unique 2.27, 2.71 A)
&rst
ixpk= 1636, nxpk= 20, iat= -1,1720, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1722,1723,
&end
#
# 103 LYS HB- 103 LYS HA 4.50 (# 1637:20 Unique 2.27, 2.71 A)
&rst
ixpk= 1637, nxpk= 20, iat= -1,1720, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1722,1723,
&end
#
# 107 GLN HB- 104 ALA HA 4.50 (# 1647:20 Unique 2.77, 3.86 A)
&rst
ixpk= 1647, nxpk= 20, iat= -1,1742, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1791,1792,
&end
#
# 104 ALA MB 104 ALA HA 2.80 (# 1648:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1648, nxpk= 20, iat= -1,1742, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1744,1745,1746,
&end
#
# 101 ASP HA 104 ALA MB 3.50 (# 1654:20 Unique 2.50, 3.48 A)
&rst
ixpk= 1654, nxpk= 20, iat=1689, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1744,1745,1746,
&end
#
# 104 ALA HA 104 ALA MB 2.80 (# 1656:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1656, nxpk= 20, iat=1742, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1744,1745,1746,
&end
#
# 101 ASP HB+ 104 ALA MB 4.50 (# 1657:20 Unique 4.63, 6.03 A)
&rst
ixpk= 1657, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1691,1692,
igr2=1744,1745,1746,
&end
#
# 101 ASP HB- 104 ALA MB 4.50 (# 1658:20 Unique 4.63, 6.03 A)
&rst
ixpk= 1658, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1691,1692,
igr2=1744,1745,1746,
&end
#
# 108 GLU HG+ 104 ALA MB 4.50 (# 1659:20 Unique 3.52, 5.04 A)
&rst
ixpk= 1659, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1811,1812,
igr2=1744,1745,1746,
&end
#
# 0 AMB 20-2:1660 104 ALA MB 4.50 (# 1660:20 Single Ambig)
&rst
ixpk= 1660, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1757,1758,1808,1809,
igr2=1744,1745,1746,
&end
#
# 0 AMB 20-2:1662 104 ALA MB 3.50 (# 1662:20 Single Ambig)
&rst
ixpk= 1662, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1791,1792,2187,
igr2=1744,1745,1746,
&end
#
# 0 AMB 20-2:1667 0 AMB 20-1:1667 3.50 (# 1667:20 Double Ambig)
&rst
ixpk= 1667, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1757,1758, 554, 555,
igr2=1752, 489,
&end
#
# 105 GLN HA 105 GLN HG+ 4.50 (# 1672:20 Unique 2.36, 3.15 A)
&rst
ixpk= 1672, nxpk= 20, iat=1752, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1757,1758,
&end
#
# 105 GLN HA 105 GLN HG- 4.50 (# 1673:20 Unique 2.36, 3.15 A)
&rst
ixpk= 1673, nxpk= 20, iat=1752, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1757,1758,
&end
#
# 104 ALA MB 105 GLN HG+ 5.50 (# 1674:20 Unique 3.00, 5.65 A)
&rst
ixpk= 1674, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1744,1745,1746,
igr2=1757,1758,
&end
#
# 104 ALA MB 105 GLN HG- 5.50 (# 1675:20 Unique 3.00, 5.65 A)
&rst
ixpk= 1675, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1744,1745,1746,
igr2=1757,1758,
&end
#
# 102 LEU HA 105 GLN HG+ 5.50 (# 1678:20 Unique 3.88, 4.51 A)
&rst
ixpk= 1678, nxpk= 20, iat=1701, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1757,1758,
&end
#
# 107 GLN HG+ 107 GLN HB- 4.50 (# 1683:20 Unique 2.21, 2.68 A)
&rst
ixpk= 1683, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1794,1795,
igr2=1791,1792,
&end
#
# 107 GLN HG+ 107 GLN HB+ 4.50 (# 1686:20 Unique 2.21, 2.68 A)
&rst
ixpk= 1686, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1794,1795,
igr2=1791,1792,
&end
#
# 107 GLN HA 107 GLN HB+ 4.50 (# 1687:20 Unique 2.23, 2.70 A)
&rst
ixpk= 1687, nxpk= 20, iat=1789, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1791,1792,
&end
#
# 107 GLN HA 107 GLN HB- 4.50 (# 1688:20 Unique 2.23, 2.70 A)
&rst
ixpk= 1688, nxpk= 20, iat=1789, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1791,1792,
&end
#
# 104 ALA HA 107 GLN HB- 4.50 (# 1689:20 Unique 2.77, 3.86 A)
&rst
ixpk= 1689, nxpk= 20, iat=1742, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1791,1792,
&end
#
# 107 GLN HA 107 GLN HG+ 4.50 (# 1698:20 Unique 2.05, 3.09 A)
&rst
ixpk= 1698, nxpk= 20, iat=1789, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1794,1795,
&end
#
# 104 ALA HA 107 GLN HG+ 5.50 (# 1699:20 Unique 2.56, 5.03 A)
&rst
ixpk= 1699, nxpk= 20, iat=1742, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1794,1795,
&end
#
# 107 GLN HA 107 GLN HG- 4.50 (# 1700:20 Unique 2.05, 3.09 A)
&rst
ixpk= 1700, nxpk= 20, iat=1789, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1794,1795,
&end
#
# 94 GLU HB- 94 GLU HA 3.50 (# 1703:20 Unique 2.57, 2.83 A)
&rst
ixpk= 1703, nxpk= 20, iat= -1,1570, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1572,1573,
&end
#
# 97 LYS HB- 94 GLU HA 3.50 (# 1704:20 Unique 2.30, 3.50 A)
&rst
ixpk= 1704, nxpk= 20, iat= -1,1570, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1617,1618,
&end
#
# 108 GLU HA 108 GLU HB- 3.50 (# 1707:20 Unique 2.41, 2.83 A)
&rst
ixpk= 1707, nxpk= 20, iat=1806, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1808,1809,
&end
#
# 108 GLU HA 108 GLU HG+ 3.50 (# 1710:20 Unique #push 2.03, 2.78 A)
&rst
ixpk= 1710, nxpk= 20, iat=1806, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1811,1812,
&end
#
# 0 AMB 20-2:1711 0 AMB 20-1:1711 4.50 (# 1711:20 Double Ambig)
&rst
ixpk= 1711, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 404, 405,1771,1772,
igr2= 427, 428,1811,1812,
&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= 0.00, r2= 1.80, r3= 8.39, r4= 9.14,
igr1=1744,1745,1746,2219,2220,1402,1403,
igr2=1811,1812,2175,2176,2175,2176,
&end
#
# 0 AMB 20-2:1717 109 LEU HA 3.50 (# 1717:20 Single Ambig)
&rst
ixpk= 1717, nxpk= 20, iat= -1,1821, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1826,1909,1910,
&end
#
# 109 LEU HB+ 109 LEU HA 3.50 (# 1718:20 Unique 2.34, 2.47 A)
&rst
ixpk= 1718, nxpk= 20, iat= -1,1821, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1823,1824,
&end
#
# 109 LEU HB- 109 LEU HA 4.50 (# 1719:20 Unique 2.34, 2.47 A)
&rst
ixpk= 1719, nxpk= 20, iat= -1,1821, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1823,1824,
&end
#
# 109 LEU MDX 109 LEU HB- 3.50 (# 1720:20 Unique 2.02, 3.26 A)
&rst
ixpk= 1720, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1828,1829,1830,1832,1833,1834,
igr2=1823,1824,
&end
#
# 109 LEU HA 109 LEU HB- 4.50 (# 1723:20 Unique 2.34, 2.47 A)
&rst
ixpk= 1723, nxpk= 20, iat=1821, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1823,1824,
&end
#
# 109 LEU MDY 109 LEU HG 3.50 (# 1726:20 Unique 2.21, 2.63 A)
&rst
ixpk= 1726, nxpk= 20, iat= -1,1826, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1828,1829,1830,1832,1833,1834,
&end
#
# 109 LEU MDX 109 LEU HG 3.50 (# 1727:20 Unique 2.21, 2.63 A)
&rst
ixpk= 1727, nxpk= 20, iat= -1,1826, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1828,1829,1830,1832,1833,1834,
&end
#
# 109 LEU HB- 109 LEU MDX 3.50 (# 1728:20 Unique 2.02, 3.26 A)
&rst
ixpk= 1728, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1823,1824,
igr2=1828,1829,1830,1832,1833,1834,
&end
#
# 0 AMB 20-2:1729 109 LEU MDX 2.80 (# 1729:20 Single Ambig)
&rst
ixpk= 1729, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1826,1909,1910,
igr2=1828,1829,1830,1832,1833,1834,
&end
#
# 70 TYR HE 109 LEU MDX 5.50 (# 1733:20 Unique 2.03, 4.48 A)
&rst
ixpk= 1733, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1179,1184,
igr2=1828,1829,1830,1832,1833,1834,
&end
#
# 0 AMB 20-2:1741 109 LEU MDY 4.50 (# 1741:20 Single Ambig)
&rst
ixpk= 1741, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1821,1752,
igr2=1828,1829,1830,1832,1833,1834,
&end
#
# 0 AMB 20-2:1742 109 LEU MDY 3.50 (# 1742:20 Single Ambig)
&rst
ixpk= 1742, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1826,1909,1910,
igr2=1828,1829,1830,1832,1833,1834,
&end
#
# 109 LEU HB+ 109 LEU MDY 3.50 (# 1743:20 Unique 2.02, 3.26 A)
&rst
ixpk= 1743, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1823,1824,
igr2=1828,1829,1830,1832,1833,1834,
&end
#
# 109 LEU HB- 109 LEU MDY 3.50 (# 1745:20 Unique 2.02, 3.26 A)
&rst
ixpk= 1745, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1823,1824,
igr2=1828,1829,1830,1832,1833,1834,
&end
#
# 106 PHE HD 106 PHE HA 4.50 (# 1747:20 Unique 1.95, 3.30 A)
&rst
ixpk= 1747, nxpk= 20, iat= -1,1769, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1775,1783,
&end
#
# 97 LYS HA 100 ASP HB+ 4.50 (# 1751:20 Unique 2.22, 2.77 A)
&rst
ixpk= 1751, nxpk= 20, iat=1615, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1679,1680,
&end
#
# 100 ASP HA 100 ASP HB+ 3.50 (# 1752:20 Unique 2.33, 2.73 A)
&rst
ixpk= 1752, nxpk= 20, iat=1677, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1679,1680,
&end
#
# 0 AMB 20-2:1753 0 AMB 20-1:1753 4.50 (# 1753:20 Double Ambig)
&rst
ixpk= 1753, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1623,1624,1744,1745,1746, 111, 112,1703,1704,
igr2=1679,1680, 124, 125,
&end
#
# 112 LYS HB+ 112 LYS HA 2.80 (# 1759:20 Unique 2.39, 2.77 A)
&rst
ixpk= 1759, nxpk= 20, iat= -1,1863, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1865,1866,
&end
#
# 112 LYS HD+ 112 LYS HA 3.50 (# 1760:20 Unique 2.09, 3.29 A)
&rst
ixpk= 1760, nxpk= 20, iat= -1,1863, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1871,1872,
&end
#
# 112 LYS HG- 112 LYS HA 3.50 (# 1761:20 Unique 2.04, 3.13 A)
&rst
ixpk= 1761, nxpk= 20, iat= -1,1863, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1868,1869,
&end
#
# 113 LYS HG+ 112 LYS HA 5.50 (# 1762:20 Unique 4.20, 5.15 A)
&rst
ixpk= 1762, nxpk= 20, iat= -1,1863, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1890,1891,
&end
#
# 0 AMB 20-2:1766 113 LYS HA 4.50 (# 1766:20 Single Ambig)
&rst
ixpk= 1766, nxpk= 20, iat= -1,1885, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1896,1897,1874,1875,
&end
#
# 113 LYS HB+ 113 LYS HA 2.80 (# 1767:20 Unique 2.35, 2.45 A)
&rst
ixpk= 1767, nxpk= 20, iat= -1,1885, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1887,1888,
&end
#
# 113 LYS HG+ 113 LYS HA 3.50 (# 1768:20 Unique 3.54, 3.77 A)
&rst
ixpk= 1768, nxpk= 20, iat= -1,1885, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1890,1891,
&end
#
# 114 GLN HA 114 GLN HG+ 3.50 (# 1772:20 Unique 2.02, 2.98 A)
&rst
ixpk= 1772, nxpk= 20, iat=1907, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1912,1913,
&end
#
# 114 GLN HB- 114 GLN HG+ 2.80 (# 1773:20 Unique 2.21, 2.60 A)
&rst
ixpk= 1773, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1909,1910,
igr2=1912,1913,
&end
#
# 114 GLN HB+ 114 GLN HG+ 3.50 (# 1774:20 Unique 2.21, 2.60 A)
&rst
ixpk= 1774, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1909,1910,
igr2=1912,1913,
&end
#
# 113 LYS HG+ 114 GLN HG+ 5.50 (# 1776:20 Unique 2.28, 5.82 A)
&rst
ixpk= 1776, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1890,1891,
igr2=1912,1913,
&end
#
# 0 AMB 20-2:1778 0 AMB 20-1:1778 3.50 (# 1778:20 Double Ambig)
&rst
ixpk= 1778, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1907,1924,
igr2=1909,1910,1909,1910,
&end
#
# 43 GLU HA 43 GLU HB- 6.50 (# 1779:20 Unique 2.35, 2.62 A)
&rst
ixpk= 1779, nxpk= 20, iat= 714, -1, r1= 0.00, r2= 1.80, r3= 7.30, r4= 8.05,
igr2= 716, 717,
&end
#
# 114 GLN HG+ 114 GLN HB+ 2.80 (# 1780:20 Unique 2.21, 2.60 A)
&rst
ixpk= 1780, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1912,1913,
igr2=1909,1910,
&end
#
# 115 ARG HD+ 115 ARG HA 4.50 (# 1781:20 Unique 2.02, 3.61 A)
&rst
ixpk= 1781, nxpk= 20, iat= -1,1924, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1932,1933,
&end
#
# 115 ARG HA 115 ARG HB- 3.50 (# 1784:20 Unique 2.35, 2.76 A)
&rst
ixpk= 1784, nxpk= 20, iat=1924, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1926,1927,
&end
#
# 115 ARG HD+ 115 ARG HB- 3.50 (# 1785:20 Unique 2.01, 3.29 A)
&rst
ixpk= 1785, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1932,1933,
igr2=1926,1927,
&end
#
# 115 ARG HD+ 115 ARG HG- 3.50 (# 1786:20 Unique 2.22, 2.64 A)
&rst
ixpk= 1786, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1932,1933,
igr2=1929,1930,
&end
#
# 115 ARG HD+ 115 ARG HG+ 3.50 (# 1787:20 Unique 2.22, 2.64 A)
&rst
ixpk= 1787, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1932,1933,
igr2=1929,1930,
&end
#
# 120 LYS HB+ 119 SER HA 5.50 (# 1796:20 Unique 4.02, 5.05 A)
&rst
ixpk= 1796, nxpk= 20, iat= -1,1983, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1996,1997,
&end
#
# 119 SER HB- 119 SER HA 2.80 (# 1798:20 Unique 2.28, 2.76 A)
&rst
ixpk= 1798, nxpk= 20, iat= -1,1983, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1985,1986,
&end
#
# 115 ARG HG+ 119 SER HB- 5.50 (# 1802:20 Unique 2.88, 6.00 A)
&rst
ixpk= 1802, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1929,1930,
igr2=1985,1986,
&end
#
# 119 SER HA 119 SER HB- 2.80 (# 1803:20 Unique 2.28, 2.76 A)
&rst
ixpk= 1803, nxpk= 20, iat=1983, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1985,1986,
&end
#
# 0 AMB 20-2:1806 124 ASP HA 4.50 (# 1806:20 Single Ambig)
&rst
ixpk= 1806, nxpk= 20, iat= -1,2052, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1283,1284,1285,1287,1288,1289,2116,2117,2118,2120,
2121,2122,2097,2098,2099,2101,2102,2103,2097,2098,
2099,2101,2102,2103,
&end
#
# 124 ASP HB- 124 ASP HA 3.50 (# 1808:20 Unique 2.31, 2.71 A)
&rst
ixpk= 1808, nxpk= 20, iat= -1,2052, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2054,2055,
&end
#
# 124 ASP HA 124 ASP HB- 4.50 (# 1813:20 Unique 2.31, 2.71 A)
&rst
ixpk= 1813, nxpk= 20, iat=2052, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=2054,2055,
&end
#
# 7 ILE QG2 8 ASP HB+ 4.50 (# 1816:20 Unique 3.96, 5.89 A)
&rst
ixpk= 1816, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 107, 108, 109,
igr2= 124, 125,
&end
#
# 29 PHE HA 11 LEU MDX 6.50 (# 1819:20 Unique 6.37, 7.82 A)
&rst
ixpk= 1819, nxpk= 20, iat= 454, -1, r1= 0.00, r2= 1.80, r3= 8.76, r4= 9.51,
igr2= 174, 175, 176, 178, 179, 180,
&end
#
# 0 AMB 20-2:1824 13 THR HB 4.50 (# 1824:20 Single Ambig)
&rst
ixpk= 1824, nxpk= 20, iat= -1, 199, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 218, 219, 220, 222, 223, 224, 218, 219, 220, 222,
223, 224,
&end
#
# 0 AMB 20-2:1826 0 AMB 20-1:1826 3.50 (# 1826:20 Double Ambig)
&rst
ixpk= 1826, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1326,1327,1328,1330,1331,1332, 218, 219, 220, 222,
223, 224, 218, 219, 220, 222, 223, 224,
igr2=1324, 273, 274, 273, 274,
&end
#
# 97 LYS HG+ 97 LYS HB+ 3.50 (# 1827:20 Unique 2.21, 2.59 A)
&rst
ixpk= 1827, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1620,1621,
igr2=1617,1618,
&end
#
# 57 LEU MDY 18 ALA HA 4.50 (# 1830:20 Unique 1.85, 3.46 A)
&rst
ixpk= 1830, nxpk= 20, iat= -1, 286, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 937, 938, 939, 941, 942, 943,
&end
#
# 22 LEU HB+ 18 ALA HA 5.50 (# 1831:20 Unique 3.88, 5.40 A)
&rst
ixpk= 1831, nxpk= 20, iat= -1, 286, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 335, 336,
&end
#
# 53 LYS HB+ 18 ALA HA 6.50 (# 1832:20 Unique 6.85, 7.85 A)
&rst
ixpk= 1832, nxpk= 20, iat= -1, 286, r1= 0.00, r2= 1.80, r3= 7.30, r4= 8.05,
igr1= 871, 872,
&end
#
# 23 HIS HD2 20 PRO HA 5.50 (# 1833:20 Unique 3.55, 3.94 A)
&rst
ixpk= 1833, nxpk= 20, iat= 363, 316, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 110 ASP HB+ 110 ASP HA 3.50 (# 1838:20 Unique 2.36, 2.80 A)
&rst
ixpk= 1838, nxpk= 20, iat= -1,1840, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1842,1843,
&end
#
# 26 PHE HD 25 LEU HA 6.50 (# 1842:20 Unique 6.64, 6.98 A)
&rst
ixpk= 1842, nxpk= 20, iat= -1, 383, r1= 0.00, r2= 1.80, r3= 7.30, r4= 8.05,
igr1= 408, 416,
&end
#
# 48 PHE HB+ 25 LEU MDY 4.50 (# 1843:20 Unique 1.97, 5.52 A)
&rst
ixpk= 1843, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 797, 798,
igr2= 390, 391, 392, 394, 395, 396,
&end
#
# 36 LYS HN 36 LYS HD+ 6.50 (# 1858:20 Unique 4.05, 5.66 A)
&rst
ixpk= 1858, nxpk= 20, iat= 580, -1, r1= 0.00, r2= 1.80, r3= 7.30, r4= 8.05,
igr2= 590, 591,
&end
#
# 41 LEU MDY 38 TRP HA 5.50 (# 1860:20 Unique 1.99, 4.31 A)
&rst
ixpk= 1860, nxpk= 20, iat= -1, 623, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 691, 692, 693, 695, 696, 697,
&end
#
# 37 LEU MDX 40 GLN HG- 4.50 (# 1861:20 Unique 2.01, 5.15 A)
&rst
ixpk= 1861, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 611, 612, 613, 615, 616, 617,
igr2= 672, 673,
&end
#
# 37 LEU MDY 41 LEU HA 6.50 (# 1862:20 Unique 3.15, 6.69 A)
&rst
ixpk= 1862, nxpk= 20, iat= -1, 684, r1= 0.00, r2= 1.80, r3= 8.76, r4= 9.51,
igr1= 611, 612, 613, 615, 616, 617,
&end
#
# 40 GLN HA 43 GLU HB+ 5.50 (# 1864:20 Unique 2.92, 4.04 A)
&rst
ixpk= 1864, nxpk= 20, iat= 667, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 716, 717,
&end
#
# 81 TYR HE 46 THR MG2 5.50 (# 1867:20 Unique 2.98, 6.16 A)
&rst
ixpk= 1867, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1368,1373,
igr2= 763, 764, 765,
&end
#
# 59 LEU MDX 59 LEU HB+ 3.50 (# 1879:20 Unique 2.07, 3.28 A)
&rst
ixpk= 1879, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 980, 981, 982, 984, 985, 986,
igr2= 975, 976,
&end
#
# 59 LEU MDY 59 LEU HB- 4.50 (# 1880:20 Unique 2.07, 3.28 A)
&rst
ixpk= 1880, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 980, 981, 982, 984, 985, 986,
igr2= 975, 976,
&end
#
# 59 LEU MDX 59 LEU HB- 3.50 (# 1881:20 Unique 2.07, 3.28 A)
&rst
ixpk= 1881, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 980, 981, 982, 984, 985, 986,
igr2= 975, 976,
&end
#
# 0 AMB 20-2:1883 79 VAL MGX 4.50 (# 1883:20 Single Ambig)
&rst
ixpk= 1883, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.39, r4= 9.14,
igr1=2111,2112,2114,1402,1403,1660,1661,
igr2=1326,1327,1328,1330,1331,1332,
&end
#
# 102 LEU MDX 102 LEU HA 4.50 (# 1887:20 Unique 2.03, 4.05 A)
&rst
ixpk= 1887, nxpk= 20, iat= -1,1701, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1708,1709,1710,1712,1713,1714,
&end
#
# 102 LEU MDY 102 LEU HA 4.50 (# 1888:20 Unique 2.03, 4.05 A)
&rst
ixpk= 1888, nxpk= 20, iat= -1,1701, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1708,1709,1710,1712,1713,1714,
&end
#
# 0 AMB 20-2:1892 102 LEU MDY 4.50 (# 1892:20 Single Ambig)
&rst
ixpk= 1892, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1=1310,1311,1312,1314,1315,1316,1383,1384,
igr2=1708,1709,1710,1712,1713,1714,
&end
#
# 79 VAL MGX 102 LEU MDY 4.50 (# 1893:20 Unique 2.01, 5.77 A)
&rst
ixpk= 1893, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1326,1327,1328,1330,1331,1332,
igr2=1708,1709,1710,1712,1713,1714,
&end
#
# 102 LEU HB- 102 LEU MDY 3.50 (# 1894:20 Unique 1.96, 3.26 A)
&rst
ixpk= 1894, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1703,1704,
igr2=1708,1709,1710,1712,1713,1714,
&end
#
# 15 ARG HA 15 ARG HG+ 4.50 (# 1895:20 Unique 2.08, 2.97 A)
&rst
ixpk= 1895, nxpk= 20, iat= 230, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 235, 236,
&end
#
# 79 VAL HA 102 LEU MDY 5.50 (# 1896:20 Unique 2.89, 4.80 A)
&rst
ixpk= 1896, nxpk= 20, iat=1322, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1708,1709,1710,1712,1713,1714,
&end
#
# 106 PHE HE 102 LEU MDY 5.50 (# 1898:20 Unique 1.99, 4.28 A)
&rst
ixpk= 1898, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1777,1781,
igr2=1708,1709,1710,1712,1713,1714,
&end
#
# 112 LYS HA 112 LYS HG- 4.50 (# 1901:20 Unique 2.04, 3.13 A)
&rst
ixpk= 1901, nxpk= 20, iat=1863, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1868,1869,
&end
#
# 0 AMB 20-2:1903 112 LYS HG- 3.50 (# 1903:20 Single Ambig)
&rst
ixpk= 1903, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1865,1866,1887,1888,
igr2=1868,1869,
&end
#
# 117 ASN HB+ 117 ASN HA 3.50 (# 1904:20 Unique 2.36, 2.76 A)
&rst
ixpk= 1904, nxpk= 20, iat= -1,1962, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1964,1965,
&end
#
# 0 AMB 20-2:1905 0 AMB 20-1:1905 2.80 (# 1905:20 Double Ambig)
&rst
ixpk= 1905, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=2627,2628,1996,1997,
igr2=2625,1994,
&end
#
# 0 AMB 20-2:1906 0 AMB 20-1:1906 2.80 (# 1906:20 Double Ambig)
&rst
ixpk= 1906, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1996,1997,2526,2527,
igr2=1994,2558,
&end
#
# 0 AMB 20-2:2056 0 AMB 20-1:2056 2.80 (# 2056:20 Double Ambig)
&rst
ixpk= 2056, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=2452,2453,2349,2350,
igr2=2450,2333,
&end
#
# 0 AMB 20-2:2057 0 AMB 20-1:2057 2.80 (# 2057:20 Double Ambig)
&rst
ixpk= 2057, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=2347,2512,2450,
igr2=2349,2350,2514,2515,2452,2453,
&end
#
# 0 AMB 20-2:2062 0 AMB 20-1:2062 3.50 (# 2062:20 Double Ambig)
&rst
ixpk= 2062, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=2462,2090,
igr2=2464,2465,2092,2093,
&end
#
# 0 AMB 20-2:2063 0 AMB 20-1:2063 2.80 (# 2063:20 Double Ambig)
&rst
ixpk= 2063, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1=2469,2470,2471,2473,2474,2475,2097,2098,2099,2101,
2102,2103,
igr2=2464,2465,2092,2093,
&end
#
# 0 AMB 20-2:2088 0 AMB 20-1:2088 3.50 (# 2088:20 Double Ambig)
&rst
ixpk= 2088, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=2652,2653,2630,2631,
igr2=2649,2650,2649,2650,
&end
#
# 0 AMB 20-2:2097 0 AMB 20-1:2097 3.50 (# 2097:20 Double Ambig)
&rst
ixpk= 2097, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=2558,2625,
igr2=2560,2561,2627,2628,
&end
#
# 0 AMB 20-2:2105 22 LEU HA 3.50 (# 2105:20 Single Ambig)
&rst
ixpk= 2105, nxpk= 20, iat= -1, 333, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 385, 386, 340, 341, 342, 344, 345, 346,
&end
#
# 18 ALA MB 15 ARG HA 4.50 (# 2109:20 Unique 2.11, 3.13 A)
&rst
ixpk= 2109, nxpk= 20, iat= -1, 230, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 288, 289, 290,
&end
#
# 15 ARG HB+ 15 ARG HA 4.50 (# 2110:20 Unique 2.39, 2.77 A)
&rst
ixpk= 2110, nxpk= 20, iat= -1, 230, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 232, 233,
&end
#
# 15 ARG HB- 15 ARG HA 4.50 (# 2111:20 Unique 2.39, 2.77 A)
&rst
ixpk= 2111, nxpk= 20, iat= -1, 230, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 232, 233,
&end
#
# 15 ARG HG- 15 ARG HA 4.50 (# 2113:20 Unique 2.08, 2.97 A)
&rst
ixpk= 2113, nxpk= 20, iat= -1, 230, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 235, 236,
&end
#
# 15 ARG HA 15 ARG HB- 5.50 (# 2115:20 Unique 2.39, 2.77 A)
&rst
ixpk= 2115, nxpk= 20, iat= 230, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 232, 233,
&end
#
# 15 ARG HG- 15 ARG HB- 5.50 (# 2116:20 Unique 2.21, 2.68 A)
&rst
ixpk= 2116, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 235, 236,
igr2= 232, 233,
&end
#
# 15 ARG HG- 15 ARG HB+ 5.50 (# 2117:20 Unique 2.21, 2.68 A)
&rst
ixpk= 2117, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 235, 236,
igr2= 232, 233,
&end
#
# 15 ARG HA 15 ARG HB+ 5.50 (# 2119:20 Unique 2.39, 2.77 A)
&rst
ixpk= 2119, nxpk= 20, iat= 230, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 232, 233,
&end
#
# 15 ARG HD+ 15 ARG HB+ 5.50 (# 2120:20 Unique 2.00, 2.98 A)
&rst
ixpk= 2120, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 238, 239,
igr2= 232, 233,
&end
#
# 15 ARG HA 15 ARG HG- 4.50 (# 2125:20 Unique 2.08, 2.97 A)
&rst
ixpk= 2125, nxpk= 20, iat= 230, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 235, 236,
&end
#
# 15 ARG HD- 15 ARG HG- 4.50 (# 2126:20 Unique 2.23, 2.72 A)
&rst
ixpk= 2126, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 238, 239,
igr2= 235, 236,
&end
#
# 15 ARG HD+ 15 ARG HG+ 4.50 (# 2127:20 Unique 2.23, 2.72 A)
&rst
ixpk= 2127, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 238, 239,
igr2= 235, 236,
&end
#
# 15 ARG HD- 15 ARG HG+ 4.50 (# 2128:20 Unique 2.23, 2.72 A)
&rst
ixpk= 2128, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 238, 239,
igr2= 235, 236,
&end
#
# 15 ARG HD+ 15 ARG HG- 4.50 (# 2129:20 Unique 2.23, 2.72 A)
&rst
ixpk= 2129, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 238, 239,
igr2= 235, 236,
&end
#
# 26 PHE HB- 15 ARG HG- 5.50 (# 2130:20 Unique 3.26, 5.45 A)
&rst
ixpk= 2130, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 404, 405,
igr2= 235, 236,
&end
#
# 0 AMB 20-2:2131 0 AMB 20-1:2131 4.50 (# 2131:20 Double Ambig)
&rst
ixpk= 2131, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.02, r4= 8.77,
igr1=1639,1640, 404, 405,
igr2=1388,1389,1390,1392,1393,1394, 235, 236,
&end
#
# 15 ARG HG- 15 ARG HD- 4.50 (# 2134:20 Unique 2.23, 2.72 A)
&rst
ixpk= 2134, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 235, 236,
igr2= 238, 239,
&end
#
# 15 ARG HG- 15 ARG HD+ 4.50 (# 2135:20 Unique 2.23, 2.72 A)
&rst
ixpk= 2135, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 235, 236,
igr2= 238, 239,
&end
#
# 15 ARG HG+ 15 ARG HD- 3.50 (# 2136:20 Unique 2.23, 2.72 A)
&rst
ixpk= 2136, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 235, 236,
igr2= 238, 239,
&end
#
# 15 ARG HG+ 15 ARG HD+ 3.50 (# 2137:20 Unique 2.23, 2.72 A)
&rst
ixpk= 2137, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 235, 236,
igr2= 238, 239,
&end
#
# 15 ARG HB- 15 ARG HD- 4.50 (# 2138:20 Unique 2.00, 2.98 A)
&rst
ixpk= 2138, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 232, 233,
igr2= 238, 239,
&end
#
# 15 ARG HB- 15 ARG HD+ 4.50 (# 2139:20 Unique 2.00, 2.98 A)
&rst
ixpk= 2139, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 232, 233,
igr2= 238, 239,
&end
#
# 15 ARG HB+ 15 ARG HD+ 4.50 (# 2140:20 Unique 2.00, 2.98 A)
&rst
ixpk= 2140, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 232, 233,
igr2= 238, 239,
&end
#
# 15 ARG HB+ 15 ARG HD- 4.50 (# 2141:20 Unique 2.00, 2.98 A)
&rst
ixpk= 2141, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 232, 233,
igr2= 238, 239,
&end
#
# 0 AMB 20-2:2142 0 AMB 20-1:2142 4.50 (# 2142:20 Double Ambig)
&rst
ixpk= 2142, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 427, 428, 230,
igr2= 238, 239, 238, 239,
&end
#
# 0 AMB 20-2:2143 19 ASP HB- 4.50 (# 2143:20 Single Ambig)
&rst
ixpk= 2143, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 338, 871, 872,
igr2= 298, 299,
&end
#
# 22 LEU MDX 19 ASP HB- 4.50 (# 2144:20 Unique 2.18, 4.64 A)
&rst
ixpk= 2144, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 340, 341, 342, 344, 345, 346,
igr2= 298, 299,
&end
#
# 12 SER HA 15 ARG HD- 4.50 (# 2147:20 Unique 4.22, 5.36 A)
&rst
ixpk= 2147, nxpk= 20, iat= 186, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 238, 239,
&end
#
# 12 SER HA 15 ARG HD+ 4.50 (# 2148:20 Unique 4.22, 5.36 A)
&rst
ixpk= 2148, nxpk= 20, iat= 186, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 238, 239,
&end
#
# 69 PHE HB+ 69 PHE HA 4.50 (# 2152:20 Unique 2.40, 2.78 A)
&rst
ixpk= 2152, nxpk= 20, iat= -1,1151, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1153,1154,
&end
#
# 69 PHE HB- 69 PHE HA 4.50 (# 2153:20 Unique 2.40, 2.78 A)
&rst
ixpk= 2153, nxpk= 20, iat= -1,1151, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1153,1154,
&end
#
# 122 HIS HB+ 122 HIS HA 4.50 (# 2154:20 Unique 2.37, 2.77 A)
&rst
ixpk= 2154, nxpk= 20, iat= -1,2028, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2030,2031,
&end
#
# 122 HIS HB- 122 HIS HA 4.50 (# 2155:20 Unique 2.37, 2.77 A)
&rst
ixpk= 2155, nxpk= 20, iat= -1,2028, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2030,2031,
&end
#
# 41 LEU HB- 41 LEU HA 5.50 (# 2158:20 Unique 2.21, 2.58 A)
&rst
ixpk= 2158, nxpk= 20, iat= -1, 684, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 686, 687,
&end
#
# 41 LEU HG 41 LEU HA 5.50 (# 2159:20 Unique 3.37, 3.51 A)
&rst
ixpk= 2159, nxpk= 20, iat= 689, 684, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 41 LEU MDY 41 LEU HB- 5.50 (# 2160:20 Unique 2.12, 3.25 A)
&rst
ixpk= 2160, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 691, 692, 693, 695, 696, 697,
igr2= 686, 687,
&end
#
# 41 LEU MDX 41 LEU HB- 4.50 (# 2161:20 Unique 2.12, 3.25 A)
&rst
ixpk= 2161, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 691, 692, 693, 695, 696, 697,
igr2= 686, 687,
&end
#
# 39 PHE HA 41 LEU HB- 5.50 (# 2162:20 Unique 5.06, 6.18 A)
&rst
ixpk= 2162, nxpk= 20, iat= 647, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 686, 687,
&end
#
# 45 LEU MDX 41 LEU MDX 4.50 (# 2163:20 Unique 2.52, 5.66 A)
&rst
ixpk= 2163, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 747, 748, 749, 751, 752, 753,
igr2= 691, 692, 693, 695, 696, 697,
&end
#
# 41 LEU HB- 41 LEU MDX 4.50 (# 2165:20 Unique 2.12, 3.25 A)
&rst
ixpk= 2165, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 686, 687,
igr2= 691, 692, 693, 695, 696, 697,
&end
#
# 33 TYR HB+ 41 LEU MDX 4.50 (# 2167:20 Unique 1.99, 3.96 A)
&rst
ixpk= 2167, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 533, 534,
igr2= 691, 692, 693, 695, 696, 697,
&end
#
# 33 TYR HA 41 LEU MDX 4.50 (# 2169:20 Unique 1.99, 4.40 A)
&rst
ixpk= 2169, nxpk= 20, iat= 531, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 691, 692, 693, 695, 696, 697,
&end
#
# 41 LEU HA 41 LEU MDX 3.50 (# 2170:20 Unique 2.47, 4.23 A)
&rst
ixpk= 2170, nxpk= 20, iat= 684, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 691, 692, 693, 695, 696, 697,
&end
#
# 29 PHE HA 41 LEU MDX 3.50 (# 2171:20 Unique 3.09, 5.40 A)
&rst
ixpk= 2171, nxpk= 20, iat= 454, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 691, 692, 693, 695, 696, 697,
&end
#
# 69 PHE HE 41 LEU MDX 5.50 (# 2173:20 Unique 2.00, 4.34 A)
&rst
ixpk= 2173, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1159,1163,
igr2= 691, 692, 693, 695, 696, 697,
&end
#
# 38 TRP HZ3 41 LEU MDX 5.50 (# 2174:20 Unique 2.93, 4.83 A)
&rst
ixpk= 2174, nxpk= 20, iat= 638, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 691, 692, 693, 695, 696, 697,
&end
#
# 69 PHE HZ 41 LEU MDX 5.50 (# 2175:20 Unique 2.00, 3.46 A)
&rst
ixpk= 2175, nxpk= 20, iat=1161, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 691, 692, 693, 695, 696, 697,
&end
#
# 0 AMB 20-2:2178 41 LEU MDX 4.50 (# 2178:20 Single Ambig)
&rst
ixpk= 2178, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1157,1165, 636,
igr2= 691, 692, 693, 695, 696, 697,
&end
#
# 0 AMB 20-2:2179 41 LEU MDX 4.50 (# 2179:20 Single Ambig)
&rst
ixpk= 2179, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 460, 468, 640,
igr2= 691, 692, 693, 695, 696, 697,
&end
#
# 11 LEU MDY 7 ILE QD1 4.50 (# 2183:20 Unique 4.03, 7.42 A)
&rst
ixpk= 2183, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 174, 175, 176, 178, 179, 180,
igr2= 114, 115, 116,
&end
#
# 68 LYS HG- 7 ILE QD1 4.50 (# 2184:20 Unique 4.45, 6.16 A)
&rst
ixpk= 2184, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1134,1135,
igr2= 114, 115, 116,
&end
#
# 6 GLU HG- 7 ILE QD1 6.50 (# 2186:20 Unique 2.74, 6.87 A)
&rst
ixpk= 2186, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.76, r4= 9.51,
igr1= 93, 94,
igr2= 114, 115, 116,
&end
#
# 3 ASN HB- 7 ILE QD1 6.50 (# 2188:20 Unique 4.56, 7.69 A)
&rst
ixpk= 2188, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.76, r4= 9.51,
igr1= 45, 46,
igr2= 114, 115, 116,
&end
#
# 2 PHE HB+ 7 ILE QD1 5.50 (# 2189:20 Unique 1.94, 6.47 A)
&rst
ixpk= 2189, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 25, 26,
igr2= 114, 115, 116,
&end
#
# 2 PHE HB- 7 ILE QD1 6.50 (# 2190:20 Unique 1.94, 6.47 A)
&rst
ixpk= 2190, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.76, r4= 9.51,
igr1= 25, 26,
igr2= 114, 115, 116,
&end
#
# 33 TYR HB- 7 ILE QD1 5.50 (# 2191:20 Unique 5.54, 7.27 A)
&rst
ixpk= 2191, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 533, 534,
igr2= 114, 115, 116,
&end
#
# 65 PHE HA 7 ILE QD1 4.50 (# 2194:20 Unique 3.10, 3.86 A)
&rst
ixpk= 2194, nxpk= 20, iat=1082, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 114, 115, 116,
&end
#
# 69 PHE HE 7 ILE QD1 5.50 (# 2195:20 Unique 4.58, 7.35 A)
&rst
ixpk= 2195, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1159,1163,
igr2= 114, 115, 116,
&end
#
# 9 THR MG2 7 ILE QG2 6.50 (# 2196:20 Unique 8.46, 9.97 A)
&rst
ixpk= 2196, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.37, r4=10.12,
igr1= 138, 139, 140,
igr2= 107, 108, 109,
&end
#
# 10 ILE HB 7 ILE QG2 6.50 (# 2197:20 Unique 3.75, 5.21 A)
&rst
ixpk= 2197, nxpk= 20, iat= 150, -1, r1= 0.00, r2= 1.80, r3= 7.81, r4= 8.56,
igr2= 107, 108, 109,
&end
#
# 33 TYR HB- 7 ILE QG2 5.50 (# 2199:20 Unique 4.99, 6.91 A)
&rst
ixpk= 2199, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 533, 534,
igr2= 107, 108, 109,
&end
#
# 65 PHE HD 7 ILE QG2 4.50 (# 2201:20 Unique 3.05, 5.81 A)
&rst
ixpk= 2201, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1088,1096,
igr2= 107, 108, 109,
&end
#
# 69 PHE HE 7 ILE QG2 6.50 (# 2202:20 Unique 6.22, 9.15 A)
&rst
ixpk= 2202, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.76, r4= 9.51,
igr1=1159,1163,
igr2= 107, 108, 109,
&end
#
# 6 GLU HB+ 10 ILE QD1 3.50 (# 2203:20 Unique 2.17, 4.30 A)
&rst
ixpk= 2203, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 90, 91,
igr2= 159, 160, 161,
&end
#
# 65 PHE HA 10 ILE QD1 5.50 (# 2208:20 Unique 3.47, 4.27 A)
&rst
ixpk= 2208, nxpk= 20, iat=1082, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 159, 160, 161,
&end
#
# 11 LEU MDY 10 ILE QG2 6.50 (# 2211:20 Unique 2.26, 5.91 A)
&rst
ixpk= 2211, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.52, r4=11.27,
igr1= 174, 175, 176, 178, 179, 180,
igr2= 152, 153, 154,
&end
#
# 45 LEU MDX 73 ILE QD1 5.50 (# 2249:20 Unique 3.08, 6.11 A)
&rst
ixpk= 2249, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 747, 748, 749, 751, 752, 753,
igr2=1237,1238,1239,
&end
#
# 0 AMB 20-2:2250 73 ILE QD1 5.50 (# 2250:20 Single Ambig)
&rst
ixpk= 2250, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 745, 719, 720,
igr2=1237,1238,1239,
&end
#
# 75 GLN HG+ 73 ILE QD1 6.50 (# 2251:20 Unique 6.46, 8.68 A)
&rst
ixpk= 2251, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.76, r4= 9.51,
igr1=1264,1265,
igr2=1237,1238,1239,
&end
#
# 69 PHE HB+ 73 ILE QD1 6.50 (# 2252:20 Unique 1.99, 3.95 A)
&rst
ixpk= 2252, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.76, r4= 9.51,
igr1=1153,1154,
igr2=1237,1238,1239,
&end
#
# 69 PHE HZ 73 ILE QD1 5.50 (# 2256:20 Unique 5.40, 6.56 A)
&rst
ixpk= 2256, nxpk= 20, iat=1161, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1237,1238,1239,
&end
#
# 81 TYR HE 73 ILE QD1 4.50 (# 2257:20 Unique 2.83, 6.95 A)
&rst
ixpk= 2257, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1368,1373,
igr2=1237,1238,1239,
&end
#
# 73 ILE QD1 73 ILE QG2 3.50 (# 2259:20 Unique 1.98, 3.68 A)
&rst
ixpk= 2259, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1237,1238,1239,
igr2=1230,1231,1232,
&end
#
# 73 ILE HG1- 73 ILE QG2 3.50 (# 2260:20 Unique 2.10, 3.48 A)
&rst
ixpk= 2260, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1234,1235,
igr2=1230,1231,1232,
&end
#
# 54 SER HB+ 52 ALA MB 6.50 (# 2264:20 Unique 6.59, 8.51 A)
&rst
ixpk= 2264, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.76, r4= 9.51,
igr1= 893, 894,
igr2= 861, 862, 863,
&end
#
# 56 PRO HD- 84 ALA MB 5.50 (# 2271:20 Unique 5.51, 7.56 A)
&rst
ixpk= 2271, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 915, 916,
igr2=1421,1422,1423,
&end
#
# 52 ALA HA 84 ALA MB 5.50 (# 2272:20 Unique 5.54, 6.89 A)
&rst
ixpk= 2272, nxpk= 20, iat= 859, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1421,1422,1423,
&end
#
# 102 LEU HB- 102 LEU HA 4.50 (# 2283:20 Unique 2.35, 2.72 A)
&rst
ixpk= 2283, nxpk= 20, iat= -1,1701, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1703,1704,
&end
#
# 105 GLN HG- 102 LEU HA 5.50 (# 2286:20 Unique 3.88, 4.51 A)
&rst
ixpk= 2286, nxpk= 20, iat= -1,1701, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1757,1758,
&end
#
# 105 GLN HB+ 102 LEU HA 4.50 (# 2287:20 Unique 2.73, 3.73 A)
&rst
ixpk= 2287, nxpk= 20, iat= -1,1701, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1754,1755,
&end
#
# 105 GLN HG+ 102 LEU HA 5.50 (# 2288:20 Unique 3.88, 4.51 A)
&rst
ixpk= 2288, nxpk= 20, iat= -1,1701, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1757,1758,
&end
#
# 0 AMB 20-2:2293 102 LEU MDX 5.50 (# 2293:20 Single Ambig)
&rst
ixpk= 2293, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.25, r4=11.00,
igr1=1310,1311,1312,1314,1315,1316,1386,
igr2=1708,1709,1710,1712,1713,1714,
&end
#
# 79 VAL MGX 102 LEU MDX 5.50 (# 2294:20 Unique 2.01, 5.77 A)
&rst
ixpk= 2294, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=1326,1327,1328,1330,1331,1332,
igr2=1708,1709,1710,1712,1713,1714,
&end
#
# 102 LEU HB+ 102 LEU MDX 4.50 (# 2295:20 Unique 1.96, 3.26 A)
&rst
ixpk= 2295, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1703,1704,
igr2=1708,1709,1710,1712,1713,1714,
&end
#
# 102 LEU HB- 102 LEU MDX 4.50 (# 2296:20 Unique 1.96, 3.26 A)
&rst
ixpk= 2296, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1703,1704,
igr2=1708,1709,1710,1712,1713,1714,
&end
#
# 0 AMB 20-2:2298 102 LEU MDX 4.50 (# 2298:20 Single Ambig)
&rst
ixpk= 2298, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1754,1755,2130,
igr2=1708,1709,1710,1712,1713,1714,
&end
#
# 0 AMB 20-2:2299 102 LEU MDX 5.50 (# 2299:20 Single Ambig)
&rst
ixpk= 2299, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=1324,1757,1758,1264,1265,1104,
igr2=1708,1709,1710,1712,1713,1714,
&end
#
# 105 GLN HG+ 102 LEU MDX 5.50 (# 2300:20 Unique 4.90, 7.96 A)
&rst
ixpk= 2300, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1757,1758,
igr2=1708,1709,1710,1712,1713,1714,
&end
#
# 0 AMB 20-2:2301 102 LEU MDX 3.50 (# 2301:20 Single Ambig)
&rst
ixpk= 2301, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1701,1658,
igr2=1708,1709,1710,1712,1713,1714,
&end
#
# 106 PHE HE 102 LEU MDX 4.50 (# 2305:20 Unique 1.99, 4.28 A)
&rst
ixpk= 2305, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1777,1781,
igr2=1708,1709,1710,1712,1713,1714,
&end
#
# 0 AMB 20-2:2307 102 LEU MDY 4.50 (# 2307:20 Single Ambig)
&rst
ixpk= 2307, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1701,1658,
igr2=1708,1709,1710,1712,1713,1714,
&end
#
# 67 SER HA 66 VAL MGX 5.50 (# 2312:20 Unique 3.16, 5.69 A)
&rst
ixpk= 2312, nxpk= 20, iat=1118, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1106,1107,1108,1110,1111,1112,
&end
#
# 61 LEU MDY 66 VAL MGY 5.50 (# 2315:20 Unique 1.98, 5.98 A)
&rst
ixpk= 2315, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=1023,1024,1025,1027,1028,1029,
igr2=1106,1107,1108,1110,1111,1112,
&end
#
# 65 PHE HB- 66 VAL MGY 5.50 (# 2317:20 Unique 2.71, 5.81 A)
&rst
ixpk= 2317, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1084,1085,
igr2=1106,1107,1108,1110,1111,1112,
&end
#
# 65 PHE HB+ 66 VAL MGY 5.50 (# 2319:20 Unique 2.71, 5.81 A)
&rst
ixpk= 2319, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1084,1085,
igr2=1106,1107,1108,1110,1111,1112,
&end
#
# 16 MET HG- 16 MET ME 4.50 (# 2343:20 Unique 2.21, 3.65 A)
&rst
ixpk= 2343, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 259, 260,
igr2= 263, 264, 265,
&end
#
# 16 MET HG+ 16 MET ME 4.50 (# 2344:20 Unique 2.21, 3.65 A)
&rst
ixpk= 2344, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 259, 260,
igr2= 263, 264, 265,
&end
#
# 0 AMB 20-2:2346 16 MET ME 3.50 (# 2346:20 Single Ambig)
&rst
ixpk= 2346, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 197, 188, 189,
igr2= 263, 264, 265,
&end
#
# 16 MET HA 16 MET ME 5.50 (# 2347:20 Unique 4.26, 5.45 A)
&rst
ixpk= 2347, nxpk= 20, iat= 254, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 263, 264, 265,
&end
#
# 13 THR HB 16 MET ME 5.50 (# 2348:20 Unique 4.69, 6.57 A)
&rst
ixpk= 2348, nxpk= 20, iat= 199, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 263, 264, 265,
&end
#
# 17 GLU HA 16 MET ME 6.50 (# 2349:20 Unique 6.34, 7.53 A)
&rst
ixpk= 2349, nxpk= 20, iat= 271, -1, r1= 0.00, r2= 1.80, r3= 7.81, r4= 8.56,
igr2= 263, 264, 265,
&end
#
# 2 PHE HE 2 PHE HA 5.50 (# 2350:20 Unique 4.21, 5.77 A)
&rst
ixpk= 2350, nxpk= 20, iat= -1, 23, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 31, 35,
&end
#
# 8 ASP HB+ 5 HIS HA 3.50 (# 2359:20 Unique 2.71, 4.10 A)
&rst
ixpk= 2359, nxpk= 20, iat= -1, 71, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 124, 125,
&end
#
# 5 HIS HD2 5 HIS HA 5.50 (# 2360:20 Unique 2.21, 3.64 A)
&rst
ixpk= 2360, nxpk= 20, iat= 82, 71, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 59 LEU MDX 59 LEU HA 4.50 (# 2361:20 Unique 1.98, 3.81 A)
&rst
ixpk= 2361, nxpk= 20, iat= -1, 973, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 980, 981, 982, 984, 985, 986,
&end
#
# 9 THR MG2 6 GLU HA 5.50 (# 2362:20 Unique 4.49, 5.35 A)
&rst
ixpk= 2362, nxpk= 20, iat= -1, 88, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 138, 139, 140,
&end
#
# 7 ILE QD1 6 GLU HB+ 4.50 (# 2366:20 Unique 3.31, 5.21 A)
&rst
ixpk= 2366, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 114, 115, 116,
igr2= 90, 91,
&end
#
# 9 THR MG2 6 GLU HB+ 6.50 (# 2367:20 Unique 6.40, 7.73 A)
&rst
ixpk= 2367, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.76, r4= 9.51,
igr1= 138, 139, 140,
igr2= 90, 91,
&end
#
# 9 THR MG2 7 ILE HA 4.50 (# 2368:20 Unique 6.78, 7.74 A)
&rst
ixpk= 2368, nxpk= 20, iat= -1, 103, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 138, 139, 140,
&end
#
# 7 ILE HG1- 7 ILE HA 4.50 (# 2369:20 Unique 2.10, 3.31 A)
&rst
ixpk= 2369, nxpk= 20, iat= -1, 103, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 111, 112,
&end
#
# 7 ILE QD1 7 ILE HB 3.50 (# 2371:20 Unique 2.31, 3.86 A)
&rst
ixpk= 2371, nxpk= 20, iat= -1, 105, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 114, 115, 116,
&end
#
# 0 AMB 20-2:2374 43 GLU HG- 5.50 (# 2374:20 Single Ambig)
&rst
ixpk= 2374, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 649, 650, 784, 785,
igr2= 719, 720,
&end
#
# 0 AMB 20-2:2375 0 AMB 20-1:2375 5.50 (# 2375:20 Double Ambig)
&rst
ixpk= 2375, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 122, 647,
igr2= 105, 719, 720,
&end
#
# 0 AMB 20-2:2376 43 GLU HG- 5.50 (# 2376:20 Single Ambig)
&rst
ixpk= 2376, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 761, 703,
igr2= 719, 720,
&end
#
# 3 ASN HD2+ 7 ILE HB 5.50 (# 2379:20 Unique 2.96, 5.47 A)
&rst
ixpk= 2379, nxpk= 20, iat= -1, 105, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 50, 51,
&end
#
# 31 LYS HE+ 31 LYS HD+ 3.50 (# 2381:20 Unique 2.22, 2.65 A)
&rst
ixpk= 2381, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 500, 501,
igr2= 497, 498,
&end
#
# 65 PHE HA 0 AMB 20-1:2383 5.50 (# 2383:20 Single Ambig)
&rst
ixpk= 2383, nxpk= 20, iat=1082, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1137,1138, 111, 112,
&end
#
# 7 ILE QD1 8 ASP HA 6.50 (# 2384:20 Unique 6.39, 7.11 A)
&rst
ixpk= 2384, nxpk= 20, iat= -1, 122, r1= 0.00, r2= 1.80, r3= 7.81, r4= 8.56,
igr1= 114, 115, 116,
&end
#
# 9 THR MG2 8 ASP HA 6.50 (# 2385:20 Unique 6.97, 7.43 A)
&rst
ixpk= 2385, nxpk= 20, iat= -1, 122, r1= 0.00, r2= 1.80, r3= 7.81, r4= 8.56,
igr1= 138, 139, 140,
&end
#
# 0 AMB 20-2:2387 0 AMB 20-1:2387 4.50 (# 2387:20 Double Ambig)
&rst
ixpk= 2387, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1854,1855, 134,
igr2=1863, 122,
&end
#
# 7 ILE QD1 8 ASP HB+ 6.50 (# 2388:20 Unique 6.84, 7.99 A)
&rst
ixpk= 2388, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.76, r4= 9.51,
igr1= 114, 115, 116,
igr2= 124, 125,
&end
#
# 0 AMB 20-2:2389 100 ASP HB- 4.50 (# 2389:20 Single Ambig)
&rst
ixpk= 2389, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=2196,2197,2198,2193,2194,
igr2=1679,1680,
&end
#
# 11 LEU HB- 8 ASP HB+ 5.50 (# 2391:20 Unique 5.25, 6.18 A)
&rst
ixpk= 2391, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 169, 170,
igr2= 124, 125,
&end
#
# 8 ASP HB+ 9 THR HA 5.50 (# 2393:20 Unique 4.20, 4.99 A)
&rst
ixpk= 2393, nxpk= 20, iat= -1, 134, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 124, 125,
&end
#
# 9 THR HB 9 THR HA 3.50 (# 2394:20 Unique 3.01, 3.02 A)
&rst
ixpk= 2394, nxpk= 20, iat= 136, 134, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 12 SER HB+ 9 THR HA 3.50 (# 2395:20 Unique 2.51, 3.23 A)
&rst
ixpk= 2395, nxpk= 20, iat= -1, 134, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 188, 189,
&end
#
# 0 AMB 20-2:2396 9 THR HB 5.50 (# 2396:20 Single Ambig)
&rst
ixpk= 2396, nxpk= 20, iat= -1, 136, r1= 0.00, r2= 1.80, r3= 8.64, r4= 9.39,
igr1= 159, 160, 161, 218, 219, 220, 222, 223, 224, 218,
219, 220, 222, 223, 224,
&end
#
# 6 GLU HB+ 9 THR HB 5.50 (# 2397:20 Unique 5.15, 5.57 A)
&rst
ixpk= 2397, nxpk= 20, iat= -1, 136, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 90, 91,
&end
#
# 0 AMB 20-2:2399 9 THR HB 5.50 (# 2399:20 Single Ambig)
&rst
ixpk= 2399, nxpk= 20, iat= -1, 136, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 188, 189, 103, 197,
&end
#
# 10 ILE QG2 10 ILE HA 3.50 (# 2400:20 Unique 2.59, 3.27 A)
&rst
ixpk= 2400, nxpk= 20, iat= -1, 148, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 152, 153, 154,
&end
#
# 0 AMB 20-2:2401 10 ILE HA 4.50 (# 2401:20 Single Ambig)
&rst
ixpk= 2401, nxpk= 20, iat= -1, 148, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 138, 139, 140, 201, 202, 203,
&end
#
# 10 ILE HG1+ 10 ILE HA 4.50 (# 2402:20 Unique 2.07, 2.62 A)
&rst
ixpk= 2402, nxpk= 20, iat= -1, 148, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 156, 157,
&end
#
# 10 ILE HG1- 10 ILE HB 4.50 (# 2403:20 Unique 2.45, 2.77 A)
&rst
ixpk= 2403, nxpk= 20, iat= -1, 150, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 156, 157,
&end
#
# 11 LEU MDY 11 LEU HA 5.50 (# 2405:20 Unique 1.98, 3.18 A)
&rst
ixpk= 2405, nxpk= 20, iat= -1, 167, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 174, 175, 176, 178, 179, 180,
&end
#
# 11 LEU HG 11 LEU HA 4.50 (# 2406:20 Unique 3.21, 3.56 A)
&rst
ixpk= 2406, nxpk= 20, iat= 172, 167, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 61 LEU MDX 61 LEU HB- 5.50 (# 2410:20 Unique 1.95, 3.34 A)
&rst
ixpk= 2410, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1023,1024,1025,1027,1028,1029,
igr2=1018,1019,
&end
#
# 61 LEU MDX 11 LEU MDX 5.50 (# 2412:20 Unique 2.60, 6.42 A)
&rst
ixpk= 2412, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=1023,1024,1025,1027,1028,1029,
igr2= 174, 175, 176, 178, 179, 180,
&end
#
# 30 GLU HG+ 11 LEU MDX 5.50 (# 2414:20 Unique 2.00, 4.92 A)
&rst
ixpk= 2414, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 479, 480,
igr2= 174, 175, 176, 178, 179, 180,
&end
#
# 15 ARG HD- 11 LEU MDX 5.50 (# 2416:20 Unique 2.82, 6.60 A)
&rst
ixpk= 2416, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 238, 239,
igr2= 174, 175, 176, 178, 179, 180,
&end
#
# 0 AMB 20-2:2418 11 LEU MDX 5.50 (# 2418:20 Single Ambig)
&rst
ixpk= 2418, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 404, 405, 25, 26,
igr2= 174, 175, 176, 178, 179, 180,
&end
#
# 30 GLU HA 11 LEU MDX 4.50 (# 2419:20 Unique 2.67, 4.53 A)
&rst
ixpk= 2419, nxpk= 20, iat= 474, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 174, 175, 176, 178, 179, 180,
&end
#
# 61 LEU MDY 11 LEU MDY 5.50 (# 2421:20 Unique 2.60, 6.42 A)
&rst
ixpk= 2421, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=1023,1024,1025,1027,1028,1029,
igr2= 174, 175, 176, 178, 179, 180,
&end
#
# 16 MET HG+ 13 THR HA 5.50 (# 2423:20 Unique 1.95, 3.18 A)
&rst
ixpk= 2423, nxpk= 20, iat= -1, 197, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 259, 260,
&end
#
# 0 AMB 20-2:2424 13 THR MG2 4.50 (# 2424:20 Single Ambig)
&rst
ixpk= 2424, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 218, 219, 220, 222, 223, 224, 218, 219, 220, 222,
223, 224,
igr2= 201, 202, 203,
&end
#
# 17 GLU HG+ 13 THR MG2 4.50 (# 2425:20 Unique 1.99, 3.32 A)
&rst
ixpk= 2425, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 276, 277,
igr2= 201, 202, 203,
&end
#
# 0 AMB 20-2:2429 0 AMB 20-1:2429 5.50 (# 2429:20 Double Ambig)
&rst
ixpk= 2429, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.80, r4=10.55,
igr1=1725,1726,1326,1327,1328,1330,1331,1332,
igr2=1660,1661,1660,1661,
&end
#
# 109 LEU HA 109 LEU HB+ 3.50 (# 2431:20 Unique 2.34, 2.47 A)
&rst
ixpk= 2431, nxpk= 20, iat=1821, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1823,1824,
&end
#
# 15 ARG HD+ 15 ARG HA 5.50 (# 2435:20 Unique 2.55, 3.69 A)
&rst
ixpk= 2435, nxpk= 20, iat= -1, 230, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 238, 239,
&end
#
# 15 ARG HD- 15 ARG HA 5.50 (# 2436:20 Unique 2.55, 3.69 A)
&rst
ixpk= 2436, nxpk= 20, iat= -1, 230, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 238, 239,
&end
#
# 12 SER HA 15 ARG HA 6.50 (# 2437:20 Unique 5.34, 5.72 A)
&rst
ixpk= 2437, nxpk= 20, iat= 186, 230, r1= 0.00, r2= 1.80, r3= 6.50, r4= 7.25, &end
#
# 0 AMB 20-2:2439 0 AMB 20-1:2439 5.50 (# 2439:20 Double Ambig)
&rst
ixpk= 2439, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 172, 288, 289, 290,
igr2= 238, 239, 238, 239,
&end
#
# 0 AMB 20-2:2440 15 ARG HD- 4.50 (# 2440:20 Single Ambig)
&rst
ixpk= 2440, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 172, 288, 289, 290,
igr2= 238, 239,
&end
#
# 23 HIS HD2 15 ARG HD- 5.50 (# 2441:20 Unique 4.56, 6.35 A)
&rst
ixpk= 2441, nxpk= 20, iat= 363, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 238, 239,
&end
#
# 23 HIS HD2 15 ARG HD+ 5.50 (# 2442:20 Unique 4.56, 6.35 A)
&rst
ixpk= 2442, nxpk= 20, iat= 363, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 238, 239,
&end
#
# 26 PHE HB- 15 ARG HD+ 4.50 (# 2444:20 Unique 2.65, 4.66 A)
&rst
ixpk= 2444, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 404, 405,
igr2= 238, 239,
&end
#
# 15 ARG HA 16 MET HA 5.50 (# 2447:20 Unique 4.65, 4.74 A)
&rst
ixpk= 2447, nxpk= 20, iat= 230, 254, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:2448 16 MET HA 5.50 (# 2448:20 Single Ambig)
&rst
ixpk= 2448, nxpk= 20, iat= -1, 254, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 197, 188, 189,
&end
#
# 16 MET HG- 16 MET HB+ 3.50 (# 2449:20 Unique 2.20, 2.70 A)
&rst
ixpk= 2449, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 259, 260,
igr2= 256, 257,
&end
#
# 16 MET HG+ 16 MET HB+ 3.50 (# 2450:20 Unique 2.20, 2.70 A)
&rst
ixpk= 2450, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 259, 260,
igr2= 256, 257,
&end
#
# 13 THR MG2 16 MET HG+ 5.50 (# 2451:20 Unique 2.75, 5.57 A)
&rst
ixpk= 2451, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 201, 202, 203,
igr2= 259, 260,
&end
#
# 16 MET ME 16 MET HG+ 3.50 (# 2452:20 Unique 2.21, 3.65 A)
&rst
ixpk= 2452, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 263, 264, 265,
igr2= 259, 260,
&end
#
# 16 MET HB+ 16 MET HG+ 3.50 (# 2453:20 Unique 2.20, 2.70 A)
&rst
ixpk= 2453, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 256, 257,
igr2= 259, 260,
&end
#
# 15 ARG HA 16 MET HG+ 5.50 (# 2454:20 Unique 5.09, 5.89 A)
&rst
ixpk= 2454, nxpk= 20, iat= 230, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 259, 260,
&end
#
# 15 ARG HA 16 MET HG- 5.50 (# 2455:20 Unique 5.09, 5.89 A)
&rst
ixpk= 2455, nxpk= 20, iat= 230, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 259, 260,
&end
#
# 17 GLU HG+ 16 MET HG- 5.50 (# 2456:20 Unique 1.98, 4.63 A)
&rst
ixpk= 2456, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 276, 277,
igr2= 259, 260,
&end
#
# 17 GLU HG+ 16 MET HG+ 5.50 (# 2457:20 Unique 1.98, 4.63 A)
&rst
ixpk= 2457, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 276, 277,
igr2= 259, 260,
&end
#
# 16 MET HB+ 16 MET HG- 3.50 (# 2458:20 Unique 2.20, 2.70 A)
&rst
ixpk= 2458, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 256, 257,
igr2= 259, 260,
&end
#
# 16 MET ME 16 MET HG- 3.50 (# 2459:20 Unique 2.21, 3.65 A)
&rst
ixpk= 2459, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 263, 264, 265,
igr2= 259, 260,
&end
#
# 0 AMB 20-2:2460 0 AMB 20-1:2460 4.50 (# 2460:20 Double Ambig)
&rst
ixpk= 2460, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=2382,2383,2384,2386,2387,2388, 937, 938, 939, 941,
942, 943,
igr2=2359, 271,
&end
#
# 0 AMB 20-2:2461 0 AMB 20-1:2461 5.50 (# 2461:20 Double Ambig)
&rst
ixpk= 2461, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
igr1=1890,1891,2418,2419,2420,
igr2=1907,2359,
&end
#
# 102 LEU MDY 79 VAL HB 5.50 (# 2462:20 Unique 4.04, 5.70 A)
&rst
ixpk= 2462, nxpk= 20, iat= -1,1324, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1708,1709,1710,1712,1713,1714,
&end
#
# 78 VAL MGY 79 VAL HB 4.50 (# 2464:20 Unique 4.67, 6.11 A)
&rst
ixpk= 2464, nxpk= 20, iat= -1,1324, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1310,1311,1312,1314,1315,1316,
&end
#
# 17 GLU HG- 17 GLU HB+ 3.50 (# 2465:20 Unique 2.21, 2.68 A)
&rst
ixpk= 2465, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 276, 277,
igr2= 273, 274,
&end
#
# 17 GLU HG+ 17 GLU HB+ 3.50 (# 2466:20 Unique 2.21, 2.68 A)
&rst
ixpk= 2466, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 276, 277,
igr2= 273, 274,
&end
#
# 17 GLU HG+ 17 GLU HB- 3.50 (# 2469:20 Unique 2.21, 2.68 A)
&rst
ixpk= 2469, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 276, 277,
igr2= 273, 274,
&end
#
# 17 GLU HG- 17 GLU HB- 3.50 (# 2470:20 Unique 2.21, 2.68 A)
&rst
ixpk= 2470, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 276, 277,
igr2= 273, 274,
&end
#
# 97 LYS HD- 97 LYS HB+ 4.50 (# 2472:20 Unique 2.05, 3.29 A)
&rst
ixpk= 2472, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1623,1624,
igr2=1617,1618,
&end
#
# 0 AMB 20-2:2473 0 AMB 20-1:2473 5.50 (# 2473:20 Double Ambig)
&rst
ixpk= 2473, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1679,1680,1626,1627,1560,1561,
igr2=2193,2194,1617,1618,
&end
#
# 22 LEU MDY 18 ALA HA 5.50 (# 2476:20 Unique 2.56, 5.44 A)
&rst
ixpk= 2476, nxpk= 20, iat= -1, 286, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 340, 341, 342, 344, 345, 346,
&end
#
# 15 ARG HG- 18 ALA MB 5.50 (# 2477:20 Unique 3.26, 5.30 A)
&rst
ixpk= 2477, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 235, 236,
igr2= 288, 289, 290,
&end
#
# 22 LEU HB- 18 ALA MB 4.50 (# 2478:20 Unique 2.92, 5.21 A)
&rst
ixpk= 2478, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 335, 336,
igr2= 288, 289, 290,
&end
#
# 20 PRO HA 18 ALA MB 5.50 (# 2479:20 Unique 5.52, 6.55 A)
&rst
ixpk= 2479, nxpk= 20, iat= 316, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 288, 289, 290,
&end
#
# 20 PRO HD+ 18 ALA MB 5.50 (# 2481:20 Unique 6.58, 7.48 A)
&rst
ixpk= 2481, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 307, 308,
igr2= 288, 289, 290,
&end
#
# 20 PRO HG- 19 ASP HA 4.50 (# 2483:20 Unique 4.54, 4.61 A)
&rst
ixpk= 2483, nxpk= 20, iat= -1, 296, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 310, 311,
&end
#
# 0 AMB 20-2:2484 19 ASP HA 4.50 (# 2484:20 Single Ambig)
&rst
ixpk= 2484, nxpk= 20, iat= -1, 296, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 310, 311, 273, 274,
&end
#
# 19 ASP HB- 19 ASP HA 4.50 (# 2485:20 Unique 2.66, 2.84 A)
&rst
ixpk= 2485, nxpk= 20, iat= -1, 296, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 298, 299,
&end
#
# 19 ASP HB+ 19 ASP HA 3.50 (# 2486:20 Unique 2.66, 2.84 A)
&rst
ixpk= 2486, nxpk= 20, iat= -1, 296, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 298, 299,
&end
#
# 20 PRO HD- 19 ASP HA 4.50 (# 2488:20 Unique 2.35, 2.46 A)
&rst
ixpk= 2488, nxpk= 20, iat= -1, 296, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 307, 308,
&end
#
# 20 PRO HD+ 19 ASP HA 3.50 (# 2489:20 Unique 2.35, 2.46 A)
&rst
ixpk= 2489, nxpk= 20, iat= -1, 296, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 307, 308,
&end
#
# 19 ASP HA 19 ASP HB- 5.50 (# 2490:20 Unique 2.66, 2.84 A)
&rst
ixpk= 2490, nxpk= 20, iat= 296, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 298, 299,
&end
#
# 19 ASP HA 19 ASP HB+ 4.50 (# 2491:20 Unique 2.66, 2.84 A)
&rst
ixpk= 2491, nxpk= 20, iat= 296, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 298, 299,
&end
#
# 22 LEU HG 19 ASP HB+ 5.50 (# 2492:20 Unique 2.30, 3.26 A)
&rst
ixpk= 2492, nxpk= 20, iat= 338, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 298, 299,
&end
#
# 0 AMB 20-2:2493 20 PRO HA 4.50 (# 2493:20 Single Ambig)
&rst
ixpk= 2493, nxpk= 20, iat= -1, 316, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 310, 311, 371, 372,
&end
#
# 20 PRO HD- 20 PRO HA 5.50 (# 2494:20 Unique 3.60, 3.85 A)
&rst
ixpk= 2494, nxpk= 20, iat= -1, 316, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 307, 308,
&end
#
# 20 PRO HD+ 20 PRO HA 5.50 (# 2495:20 Unique 3.60, 3.85 A)
&rst
ixpk= 2495, nxpk= 20, iat= -1, 316, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 307, 308,
&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= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 307, 308, 324, 325,
igr2= 313, 314, 313, 314,
&end
#
# 20 PRO HG- 20 PRO HD+ 4.50 (# 2497:20 Unique 2.30, 2.58 A)
&rst
ixpk= 2497, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 310, 311,
igr2= 307, 308,
&end
#
# 20 PRO HB+ 20 PRO HD+ 5.50 (# 2498:20 Unique 2.98, 3.70 A)
&rst
ixpk= 2498, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 313, 314,
igr2= 307, 308,
&end
#
# 19 ASP HB- 20 PRO HD+ 5.50 (# 2499:20 Unique 1.99, 3.44 A)
&rst
ixpk= 2499, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 298, 299,
igr2= 307, 308,
&end
#
# 20 PRO HA 20 PRO HD- 5.50 (# 2500:20 Unique 3.60, 3.85 A)
&rst
ixpk= 2500, nxpk= 20, iat= 316, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 307, 308,
&end
#
# 20 PRO HB- 20 PRO HD- 4.50 (# 2501:20 Unique 2.98, 3.70 A)
&rst
ixpk= 2501, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 313, 314,
igr2= 307, 308,
&end
#
# 22 LEU MDX 22 LEU HA 4.50 (# 2502:20 Unique 2.43, 4.37 A)
&rst
ixpk= 2502, nxpk= 20, iat= -1, 333, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 340, 341, 342, 344, 345, 346,
&end
#
# 22 LEU HG 22 LEU HA 4.50 (# 2503:20 Unique 3.41, 3.56 A)
&rst
ixpk= 2503, nxpk= 20, iat= 338, 333, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:2504 22 LEU HA 3.50 (# 2504:20 Single Ambig)
&rst
ixpk= 2504, nxpk= 20, iat= -1, 333, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 385, 386, 335, 336,
&end
#
# 22 LEU HB+ 22 LEU HA 4.50 (# 2505:20 Unique 2.21, 2.54 A)
&rst
ixpk= 2505, nxpk= 20, iat= -1, 333, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 335, 336,
&end
#
# 22 LEU MDX 22 LEU HB- 4.50 (# 2507:20 Unique 2.04, 3.24 A)
&rst
ixpk= 2507, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 340, 341, 342, 344, 345, 346,
igr2= 335, 336,
&end
#
# 0 AMB 20-2:2508 22 LEU HB- 4.50 (# 2508:20 Single Ambig)
&rst
ixpk= 2508, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 340, 341, 342, 344, 345, 346, 385, 386,
igr2= 335, 336,
&end
#
# 18 ALA MB 22 LEU HB+ 5.50 (# 2510:20 Unique 2.92, 5.21 A)
&rst
ixpk= 2510, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 288, 289, 290,
igr2= 335, 336,
&end
#
# 22 LEU HA 22 LEU HB- 5.50 (# 2512:20 Unique 2.21, 2.54 A)
&rst
ixpk= 2512, nxpk= 20, iat= 333, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 335, 336,
&end
#
# 22 LEU HA 22 LEU HB+ 5.50 (# 2513:20 Unique 2.21, 2.54 A)
&rst
ixpk= 2513, nxpk= 20, iat= 333, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 335, 336,
&end
#
# 115 ARG HN 115 ARG HG- 5.50 (# 2514:20 Unique 2.17, 4.48 A)
&rst
ixpk= 2514, nxpk= 20, iat=1922, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1929,1930,
&end
#
# 54 SER HB- 22 LEU MDX 4.50 (# 2520:20 Unique 1.96, 4.29 A)
&rst
ixpk= 2520, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 893, 894,
igr2= 340, 341, 342, 344, 345, 346,
&end
#
# 0 AMB 20-2:2521 22 LEU MDY 2.80 (# 2521:20 Single Ambig)
&rst
ixpk= 2521, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 871, 872, 338,
igr2= 340, 341, 342, 344, 345, 346,
&end
#
# 22 LEU HB- 22 LEU MDY 2.80 (# 2522:20 Unique 2.04, 3.24 A)
&rst
ixpk= 2522, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 335, 336,
igr2= 340, 341, 342, 344, 345, 346,
&end
#
# 51 ASP HB- 22 LEU MDY 3.50 (# 2523:20 Unique 4.85, 8.20 A)
&rst
ixpk= 2523, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 849, 850,
igr2= 340, 341, 342, 344, 345, 346,
&end
#
# 0 AMB 20-2:2525 0 AMB 20-1:2525 4.50 (# 2525:20 Double Ambig)
&rst
ixpk= 2525, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1= 880, 881, 593, 594,
igr2= 340, 341, 342, 344, 345, 346, 611, 612, 613, 615,
616, 617,
&end
#
# 48 PHE HB+ 22 LEU MDY 5.50 (# 2526:20 Unique 1.89, 4.88 A)
&rst
ixpk= 2526, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 797, 798,
igr2= 340, 341, 342, 344, 345, 346,
&end
#
# 15 ARG HG- 23 HIS HA 6.50 (# 2529:20 Unique 3.92, 5.61 A)
&rst
ixpk= 2529, nxpk= 20, iat= -1, 352, r1= 0.00, r2= 1.80, r3= 7.30, r4= 8.05,
igr1= 235, 236,
&end
#
# 0 AMB 20-2:2530 23 HIS HA 5.50 (# 2530:20 Single Ambig)
&rst
ixpk= 2530, nxpk= 20, iat= -1, 352, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 235, 236, 340, 341, 342, 344, 345, 346,
&end
#
# 18 ALA MB 23 HIS HA 5.50 (# 2531:20 Unique 2.39, 3.74 A)
&rst
ixpk= 2531, nxpk= 20, iat= -1, 352, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 288, 289, 290,
&end
#
# 26 PHE HB- 23 HIS HA 5.50 (# 2532:20 Unique 3.41, 4.55 A)
&rst
ixpk= 2532, nxpk= 20, iat= -1, 352, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 404, 405,
&end
#
# 25 LEU MDX 44 SER HA 6.50 (# 2533:20 Unique 3.03, 5.47 A)
&rst
ixpk= 2533, nxpk= 20, iat= -1, 729, r1= 0.00, r2= 1.80, r3= 8.76, r4= 9.51,
igr1= 390, 391, 392, 394, 395, 396,
&end
#
# 47 LYS HB- 44 SER HA 5.50 (# 2534:20 Unique 1.97, 3.21 A)
&rst
ixpk= 2534, nxpk= 20, iat= -1, 729, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 775, 776,
&end
#
# 25 LEU HB- 25 LEU HA 4.50 (# 2535:20 Unique 2.66, 2.83 A)
&rst
ixpk= 2535, nxpk= 20, iat= -1, 383, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 385, 386,
&end
#
# 0 AMB 20-2:2536 25 LEU HA 4.50 (# 2536:20 Single Ambig)
&rst
ixpk= 2536, nxpk= 20, iat= -1, 383, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 439, 440, 442, 443, 427, 428, 371, 372,
&end
#
# 25 LEU HA 25 LEU HB+ 5.50 (# 2537:20 Unique 2.66, 2.83 A)
&rst
ixpk= 2537, nxpk= 20, iat= 383, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 385, 386,
&end
#
# 47 LYS HG- 25 LEU MDX 4.50 (# 2539:20 Unique 1.99, 5.56 A)
&rst
ixpk= 2539, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 778, 779,
igr2= 390, 391, 392, 394, 395, 396,
&end
#
# 24 PRO HB+ 25 LEU MDX 5.50 (# 2540:20 Unique 4.20, 7.38 A)
&rst
ixpk= 2540, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 374, 375,
igr2= 390, 391, 392, 394, 395, 396,
&end
#
# 48 PHE HB- 25 LEU MDY 5.50 (# 2545:20 Unique 1.97, 5.52 A)
&rst
ixpk= 2545, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 797, 798,
igr2= 390, 391, 392, 394, 395, 396,
&end
#
# 26 PHE HE 25 LEU MDY 5.50 (# 2546:20 Unique 6.20, 8.68 A)
&rst
ixpk= 2546, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 410, 414,
igr2= 390, 391, 392, 394, 395, 396,
&end
#
# 28 GLN HE2- 25 LEU MDY 6.50 (# 2547:20 Unique 2.71, 6.97 A)
&rst
ixpk= 2547, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.84, r4=10.59,
igr1= 447, 448,
igr2= 390, 391, 392, 394, 395, 396,
&end
#
# 0 AMB 20-2:2548 26 PHE HA 6.50 (# 2548:20 Single Ambig)
&rst
ixpk= 2548, nxpk= 20, iat= -1, 402, r1= 0.00, r2= 1.80, r3= 8.19, r4= 8.94,
igr1= 456, 457, 404, 405,
&end
#
# 24 PRO HA 27 GLU HG- 5.50 (# 2550:20 Unique 1.97, 3.43 A)
&rst
ixpk= 2550, nxpk= 20, iat= 377, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 427, 428,
&end
#
# 26 PHE HE 29 PHE HA 6.50 (# 2551:20 Unique 6.47, 8.36 A)
&rst
ixpk= 2551, nxpk= 20, iat= -1, 454, r1= 0.00, r2= 1.80, r3= 7.30, r4= 8.05,
igr1= 410, 414,
&end
#
# 41 LEU MDY 29 PHE HA 5.50 (# 2552:20 Unique 3.09, 5.40 A)
&rst
ixpk= 2552, nxpk= 20, iat= -1, 454, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 691, 692, 693, 695, 696, 697,
&end
#
# 26 PHE HA 29 PHE HA 5.50 (# 2553:20 Unique 4.64, 4.80 A)
&rst
ixpk= 2553, nxpk= 20, iat= 402, 454, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 29 PHE HB- 29 PHE HA 5.50 (# 2555:20 Unique 2.25, 2.65 A)
&rst
ixpk= 2555, nxpk= 20, iat= -1, 454, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 456, 457,
&end
#
# 7 ILE QG2 30 GLU HB+ 5.50 (# 2558:20 Unique 4.70, 6.62 A)
&rst
ixpk= 2558, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 107, 108, 109,
igr2= 476, 477,
&end
#
# 0 AMB 20-2:2560 0 AMB 20-1:2560 4.50 (# 2560:20 Double Ambig)
&rst
ixpk= 2560, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 422, 167,
igr2= 476, 477, 476, 477,
&end
#
# 26 PHE HN 30 GLU HB+ 6.50 (# 2561:20 Unique 7.15, 7.77 A)
&rst
ixpk= 2561, nxpk= 20, iat= 400, -1, r1= 0.00, r2= 1.80, r3= 7.30, r4= 8.05,
igr2= 476, 477,
&end
#
# 7 ILE QG2 30 GLU HG- 4.50 (# 2562:20 Unique 4.31, 6.22 A)
&rst
ixpk= 2562, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 107, 108, 109,
igr2= 479, 480,
&end
#
# 31 LYS HG- 31 LYS HA 4.50 (# 2563:20 Unique 2.61, 3.47 A)
&rst
ixpk= 2563, nxpk= 20, iat= -1, 489, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 494, 495,
&end
#
# 28 GLN HA 31 LYS HG- 5.50 (# 2565:20 Unique 1.99, 3.66 A)
&rst
ixpk= 2565, nxpk= 20, iat= 437, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 494, 495,
&end
#
# 31 LYS HE+ 31 LYS HG- 4.50 (# 2566:20 Unique 2.00, 3.16 A)
&rst
ixpk= 2566, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 500, 501,
igr2= 494, 495,
&end
#
# 0 AMB 20-2:2568 31 LYS HG- 5.50 (# 2568:20 Single Ambig)
&rst
ixpk= 2568, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 442, 443, 572, 573,
igr2= 494, 495,
&end
#
# 35 GLU HG- 31 LYS HG+ 5.50 (# 2569:20 Unique 3.18, 5.69 A)
&rst
ixpk= 2569, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 572, 573,
igr2= 494, 495,
&end
#
# 32 PHE HD 31 LYS HG+ 4.50 (# 2570:20 Unique 1.96, 5.47 A)
&rst
ixpk= 2570, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 517, 525,
igr2= 494, 495,
&end
#
# 31 LYS HA 31 LYS HG+ 3.50 (# 2571:20 Unique 2.61, 3.47 A)
&rst
ixpk= 2571, nxpk= 20, iat= 489, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 494, 495,
&end
#
# 28 GLN HA 31 LYS HD- 5.50 (# 2572:20 Unique 2.61, 3.99 A)
&rst
ixpk= 2572, nxpk= 20, iat= 437, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 497, 498,
&end
#
# 28 GLN HA 31 LYS HD+ 5.50 (# 2573:20 Unique 2.61, 3.99 A)
&rst
ixpk= 2573, nxpk= 20, iat= 437, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 497, 498,
&end
#
# 28 GLN HG+ 31 LYS HD+ 6.50 (# 2574:20 Unique 2.95, 6.06 A)
&rst
ixpk= 2574, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.19, r4= 8.94,
igr1= 442, 443,
igr2= 497, 498,
&end
#
# 0 AMB 20-2:2575 0 AMB 20-1:2575 5.50 (# 2575:20 Double Ambig)
&rst
ixpk= 2575, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 442, 443, 439, 440,
igr2= 497, 498, 497, 498,
&end
#
# 35 GLU HG- 31 LYS HD- 5.50 (# 2576:20 Unique 2.59, 4.96 A)
&rst
ixpk= 2576, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 572, 573,
igr2= 497, 498,
&end
#
# 0 AMB 20-2:2577 0 AMB 20-1:2577 4.50 (# 2577:20 Double Ambig)
&rst
ixpk= 2577, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 572, 573,1575,1576,
igr2= 497, 498,1623,1624,
&end
#
# 41 LEU MDX 33 TYR HA 4.50 (# 2579:20 Unique 1.99, 4.40 A)
&rst
ixpk= 2579, nxpk= 20, iat= -1, 531, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 691, 692, 693, 695, 696, 697,
&end
#
# 0 AMB 20-2:2580 33 TYR HA 6.50 (# 2580:20 Single Ambig)
&rst
ixpk= 2580, nxpk= 20, iat= -1, 531, r1= 0.00, r2= 1.80, r3= 8.19, r4= 8.94,
igr1= 590, 591, 491, 492,
&end
#
# 38 TRP HN 33 TYR HB+ 6.50 (# 2583:20 Unique 5.07, 7.26 A)
&rst
ixpk= 2583, nxpk= 20, iat= 621, -1, r1= 0.00, r2= 1.80, r3= 7.30, r4= 8.05,
igr2= 533, 534,
&end
#
# 0 AMB 20-2:2584 0 AMB 20-1:2584 4.50 (# 2584:20 Double Ambig)
&rst
ixpk= 2584, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 821, 829, 801, 809,
igr2= 817, 818, 817, 818,
&end
#
# 0 AMB 20-2:2586 0 AMB 20-1:2586 5.50 (# 2586:20 Double Ambig)
&rst
ixpk= 2586, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 25, 26, 533, 534,
igr2= 552, 474,
&end
#
# 33 TYR HB- 30 GLU HA 5.50 (# 2587:20 Unique 2.34, 3.34 A)
&rst
ixpk= 2587, nxpk= 20, iat= -1, 474, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 533, 534,
&end
#
# 31 LYS HA 0 AMB 20-1:2588 4.50 (# 2588:20 Single Ambig)
&rst
ixpk= 2588, nxpk= 20, iat= 489, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 474, 552,
&end
#
# 0 AMB 20-2:2591 0 AMB 20-1:2591 6.50 (# 2591:20 Double Ambig)
&rst
ixpk= 2591, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.84, r4=10.59,
igr1=1663,1601, 609,
igr2=2175,2176, 557, 558,
&end
#
# 16 MET HG+ 17 GLU HG+ 5.50 (# 2592:20 Unique 1.98, 4.63 A)
&rst
ixpk= 2592, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 259, 260,
igr2= 276, 277,
&end
#
# 37 LEU MDY 35 GLU HA 5.50 (# 2595:20 Unique 3.96, 6.87 A)
&rst
ixpk= 2595, nxpk= 20, iat= -1, 567, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 611, 612, 613, 615, 616, 617,
&end
#
# 35 GLU HB+ 35 GLU HA 4.50 (# 2596:20 Unique 2.37, 2.77 A)
&rst
ixpk= 2596, nxpk= 20, iat= -1, 567, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 569, 570,
&end
#
# 86 LEU MDX 94 GLU HG+ 5.50 (# 2598:20 Unique 4.29, 7.02 A)
&rst
ixpk= 2598, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1447,1448,1449,1451,1452,1453,
igr2=1575,1576,
&end
#
# 37 LEU MDX 35 GLU HG+ 5.50 (# 2599:20 Unique 2.78, 6.08 A)
&rst
ixpk= 2599, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 611, 612, 613, 615, 616, 617,
igr2= 572, 573,
&end
#
# 37 LEU MDY 35 GLU HG+ 4.50 (# 2600:20 Unique 2.78, 6.08 A)
&rst
ixpk= 2600, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 611, 612, 613, 615, 616, 617,
igr2= 572, 573,
&end
#
# 32 PHE HA 35 GLU HG+ 5.50 (# 2604:20 Unique 3.04, 3.92 A)
&rst
ixpk= 2604, nxpk= 20, iat= 511, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 572, 573,
&end
#
# 37 LEU MDX 35 GLU HG- 5.50 (# 2606:20 Unique 2.78, 6.08 A)
&rst
ixpk= 2606, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 611, 612, 613, 615, 616, 617,
igr2= 572, 573,
&end
#
# 36 LYS HG- 37 LEU MDY 4.50 (# 2608:20 Unique 4.15, 6.80 A)
&rst
ixpk= 2608, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 587, 588,
igr2= 611, 612, 613, 615, 616, 617,
&end
#
# 31 LYS HG+ 37 LEU MDY 5.50 (# 2609:20 Unique 5.60, 8.46 A)
&rst
ixpk= 2609, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 494, 495,
igr2= 611, 612, 613, 615, 616, 617,
&end
#
# 73 ILE QG2 38 TRP HB- 5.50 (# 2612:20 Unique 1.99, 3.94 A)
&rst
ixpk= 2612, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1230,1231,1232,
igr2= 625, 626,
&end
#
# 73 ILE QG2 38 TRP HB+ 5.50 (# 2613:20 Unique 1.99, 3.94 A)
&rst
ixpk= 2613, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1230,1231,1232,
igr2= 625, 626,
&end
#
# 41 LEU HB+ 40 GLN HA 5.50 (# 2616:20 Unique 5.52, 5.89 A)
&rst
ixpk= 2616, nxpk= 20, iat= -1, 667, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 686, 687,
&end
#
# 43 GLU HG+ 40 GLN HA 4.50 (# 2617:20 Unique 1.98, 2.93 A)
&rst
ixpk= 2617, nxpk= 20, iat= -1, 667, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 719, 720,
&end
#
# 40 GLN HG- 40 GLN HA 3.50 (# 2618:20 Unique 2.50, 3.14 A)
&rst
ixpk= 2618, nxpk= 20, iat= -1, 667, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 672, 673,
&end
#
# 39 PHE HA 40 GLN HA 5.50 (# 2619:20 Unique 4.75, 4.78 A)
&rst
ixpk= 2619, nxpk= 20, iat= 647, 667, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:2621 0 AMB 20-1:2621 5.50 (# 2621:20 Double Ambig)
&rst
ixpk= 2621, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 604, 684, 647,
igr2= 672, 673, 672, 673, 672, 673,
&end
#
# 69 PHE HE 41 LEU MDY 5.50 (# 2626:20 Unique 2.00, 4.34 A)
&rst
ixpk= 2626, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1159,1163,
igr2= 691, 692, 693, 695, 696, 697,
&end
#
# 69 PHE HZ 41 LEU MDY 5.50 (# 2627:20 Unique 2.00, 3.46 A)
&rst
ixpk= 2627, nxpk= 20, iat=1161, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 691, 692, 693, 695, 696, 697,
&end
#
# 45 LEU MDX 45 LEU HG 5.50 (# 2629:20 Unique 2.21, 2.63 A)
&rst
ixpk= 2629, nxpk= 20, iat= -1, 745, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 747, 748, 749, 751, 752, 753,
&end
#
# 11 LEU MDY 45 LEU MDX 5.50 (# 2632:20 Unique 6.42, 9.62 A)
&rst
ixpk= 2632, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 174, 175, 176, 178, 179, 180,
igr2= 747, 748, 749, 751, 752, 753,
&end
#
# 66 VAL MGX 45 LEU MDX 4.50 (# 2633:20 Unique 1.99, 4.81 A)
&rst
ixpk= 2633, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1106,1107,1108,1110,1111,1112,
igr2= 747, 748, 749, 751, 752, 753,
&end
#
# 61 LEU HB+ 45 LEU MDX 5.50 (# 2636:20 Unique 3.14, 5.89 A)
&rst
ixpk= 2636, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1018,1019,
igr2= 747, 748, 749, 751, 752, 753,
&end
#
# 0 AMB 20-2:2637 45 LEU MDX 5.50 (# 2637:20 Single Ambig)
&rst
ixpk= 2637, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 797, 798,1037,1038,
igr2= 747, 748, 749, 751, 752, 753,
&end
#
# 0 AMB 20-2:2638 45 LEU MDX 5.50 (# 2638:20 Single Ambig)
&rst
ixpk= 2638, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 684, 647,
igr2= 747, 748, 749, 751, 752, 753,
&end
#
# 0 AMB 20-2:2639 46 THR HB 5.50 (# 2639:20 Single Ambig)
&rst
ixpk= 2639, nxpk= 20, iat= -1, 761, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 745, 719, 720,
&end
#
# 0 AMB 20-2:2640 46 THR HB 5.50 (# 2640:20 Single Ambig)
&rst
ixpk= 2640, nxpk= 20, iat= -1, 761, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 716, 717, 775, 776, 719, 720,
&end
#
# 43 GLU HA 46 THR HB 4.50 (# 2642:20 Unique 2.01, 3.84 A)
&rst
ixpk= 2642, nxpk= 20, iat= 714, 761, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 46 THR HA 46 THR HB 4.50 (# 2643:20 Unique 2.42, 2.61 A)
&rst
ixpk= 2643, nxpk= 20, iat= 759, 761, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 46 THR HB 46 THR HA 5.50 (# 2644:20 Unique 2.42, 2.61 A)
&rst
ixpk= 2644, nxpk= 20, iat= 761, 759, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 45 LEU MDY 46 THR HA 5.50 (# 2645:20 Unique 2.97, 5.69 A)
&rst
ixpk= 2645, nxpk= 20, iat= -1, 759, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 747, 748, 749, 751, 752, 753,
&end
#
# 49 PHE HB+ 46 THR HA 5.50 (# 2646:20 Unique 1.98, 3.43 A)
&rst
ixpk= 2646, nxpk= 20, iat= -1, 759, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 817, 818,
&end
#
# 0 AMB 20-2:2647 46 THR MG2 5.50 (# 2647:20 Single Ambig)
&rst
ixpk= 2647, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 775, 776, 716, 717, 719, 720,
igr2= 763, 764, 765,
&end
#
# 50 ASP HB- 46 THR MG2 6.50 (# 2650:20 Unique 2.33, 6.08 A)
&rst
ixpk= 2650, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.76, r4= 9.51,
igr1= 837, 838,
igr2= 763, 764, 765,
&end
#
# 47 LYS HE+ 47 LYS HB+ 5.50 (# 2653:20 Unique 2.06, 4.18 A)
&rst
ixpk= 2653, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 784, 785,
igr2= 775, 776,
&end
#
# 44 SER HA 47 LYS HB+ 4.50 (# 2655:20 Unique 1.97, 3.21 A)
&rst
ixpk= 2655, nxpk= 20, iat= 729, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 775, 776,
&end
#
# 25 LEU MDX 47 LYS HB- 4.50 (# 2657:20 Unique 1.99, 4.21 A)
&rst
ixpk= 2657, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 390, 391, 392, 394, 395, 396,
igr2= 775, 776,
&end
#
# 25 LEU MDY 47 LYS HB- 5.50 (# 2658:20 Unique 1.99, 4.21 A)
&rst
ixpk= 2658, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 390, 391, 392, 394, 395, 396,
igr2= 775, 776,
&end
#
# 44 SER HA 47 LYS HG+ 5.50 (# 2660:20 Unique 2.00, 3.62 A)
&rst
ixpk= 2660, nxpk= 20, iat= 729, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 778, 779,
&end
#
# 25 LEU MDX 47 LYS HG+ 4.50 (# 2662:20 Unique 1.99, 5.56 A)
&rst
ixpk= 2662, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 390, 391, 392, 394, 395, 396,
igr2= 778, 779,
&end
#
# 25 LEU MDY 47 LYS HD- 5.50 (# 2666:20 Unique 1.99, 4.67 A)
&rst
ixpk= 2666, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 390, 391, 392, 394, 395, 396,
igr2= 781, 782,
&end
#
# 25 LEU MDY 47 LYS HD+ 5.50 (# 2667:20 Unique 1.99, 4.67 A)
&rst
ixpk= 2667, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 390, 391, 392, 394, 395, 396,
igr2= 781, 782,
&end
#
# 44 SER HA 47 LYS HD- 4.50 (# 2668:20 Unique 2.09, 4.21 A)
&rst
ixpk= 2668, nxpk= 20, iat= 729, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 781, 782,
&end
#
# 44 SER HA 47 LYS HD+ 4.50 (# 2669:20 Unique 2.09, 4.21 A)
&rst
ixpk= 2669, nxpk= 20, iat= 729, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 781, 782,
&end
#
# 0 AMB 20-2:2671 49 PHE HA 5.50 (# 2671:20 Single Ambig)
&rst
ixpk= 2671, nxpk= 20, iat= -1, 815, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
igr1=1421,1422,1423, 778, 779, 335, 336, 745, 781, 782,
&end
#
# 49 PHE HB+ 49 PHE HA 4.50 (# 2672:20 Unique 2.27, 2.72 A)
&rst
ixpk= 2672, nxpk= 20, iat= -1, 815, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 817, 818,
&end
#
# 0 AMB 20-2:2673 49 PHE HA 4.50 (# 2673:20 Single Ambig)
&rst
ixpk= 2673, nxpk= 20, iat= -1, 815, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 821, 829, 801, 809,
&end
#
# 49 PHE HA 49 PHE HB+ 4.50 (# 2674:20 Unique 2.27, 2.72 A)
&rst
ixpk= 2674, nxpk= 20, iat= 815, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 817, 818,
&end
#
# 47 LYS HA 50 ASP HB- 4.50 (# 2681:20 Unique 1.99, 3.83 A)
&rst
ixpk= 2681, nxpk= 20, iat= 773, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 837, 838,
&end
#
# 52 ALA MB 51 ASP HA 5.50 (# 2683:20 Unique 3.85, 4.98 A)
&rst
ixpk= 2683, nxpk= 20, iat= -1, 847, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 861, 862, 863,
&end
#
# 51 ASP HB- 51 ASP HA 3.50 (# 2684:20 Unique 2.38, 2.81 A)
&rst
ixpk= 2684, nxpk= 20, iat= -1, 847, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 849, 850,
&end
#
# 51 ASP HB+ 51 ASP HA 3.50 (# 2685:20 Unique 2.38, 2.81 A)
&rst
ixpk= 2685, nxpk= 20, iat= -1, 847, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 849, 850,
&end
#
# 22 LEU MDY 51 ASP HB- 5.50 (# 2686:20 Unique 4.85, 8.20 A)
&rst
ixpk= 2686, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 340, 341, 342, 344, 345, 346,
igr2= 849, 850,
&end
#
# 51 ASP HA 51 ASP HB- 4.50 (# 2687:20 Unique 2.38, 2.81 A)
&rst
ixpk= 2687, nxpk= 20, iat= 847, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 849, 850,
&end
#
# 51 ASP HA 51 ASP HB+ 4.50 (# 2688:20 Unique 2.38, 2.81 A)
&rst
ixpk= 2688, nxpk= 20, iat= 847, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 849, 850,
&end
#
# 53 LYS HE+ 53 LYS HA 4.50 (# 2691:20 Unique 2.00, 3.16 A)
&rst
ixpk= 2691, nxpk= 20, iat= -1, 869, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 880, 881,
&end
#
# 27 GLU HG+ 24 PRO HA 5.50 (# 2692:20 Unique 1.97, 3.43 A)
&rst
ixpk= 2692, nxpk= 20, iat= -1, 377, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 427, 428,
&end
#
# 56 PRO HA 55 THR HB 5.50 (# 2693:20 Unique 4.27, 4.70 A)
&rst
ixpk= 2693, nxpk= 20, iat= 924, 904, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:2694 55 THR HA 5.50 (# 2694:20 Single Ambig)
&rst
ixpk= 2694, nxpk= 20, iat= -1, 902, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 904,1429,
&end
#
# 58 ARG HB- 55 THR HA 5.50 (# 2695:20 Unique 3.34, 4.78 A)
&rst
ixpk= 2695, nxpk= 20, iat= -1, 902, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 951, 952,
&end
#
# 55 THR MG2 56 PRO HA 4.50 (# 2703:20 Unique 3.06, 4.01 A)
&rst
ixpk= 2703, nxpk= 20, iat= -1, 924, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 906, 907, 908,
&end
#
# 56 PRO HB- 56 PRO HA 4.50 (# 2704:20 Unique 2.30, 2.51 A)
&rst
ixpk= 2704, nxpk= 20, iat= -1, 924, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 921, 922,
&end
#
# 0 AMB 20-2:2705 56 PRO HA 4.50 (# 2705:20 Single Ambig)
&rst
ixpk= 2705, nxpk= 20, iat= -1, 924, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 918, 919, 932, 933,
&end
#
# 56 PRO HB+ 56 PRO HA 3.50 (# 2706:20 Unique 2.30, 2.51 A)
&rst
ixpk= 2706, nxpk= 20, iat= -1, 924, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 921, 922,
&end
#
# 56 PRO HD+ 56 PRO HA 5.50 (# 2707:20 Unique 3.60, 3.85 A)
&rst
ixpk= 2707, nxpk= 20, iat= -1, 924, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 915, 916,
&end
#
# 56 PRO HD- 56 PRO HA 5.50 (# 2708:20 Unique 3.60, 3.85 A)
&rst
ixpk= 2708, nxpk= 20, iat= -1, 924, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 915, 916,
&end
#
# 57 LEU MDY 56 PRO HB+ 6.50 (# 2709:20 Unique 5.38, 8.25 A)
&rst
ixpk= 2709, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.84, r4=10.59,
igr1= 937, 938, 939, 941, 942, 943,
igr2= 921, 922,
&end
#
# 55 THR MG2 56 PRO HB+ 5.50 (# 2711:20 Unique 3.33, 5.25 A)
&rst
ixpk= 2711, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 906, 907, 908,
igr2= 921, 922,
&end
#
# 56 PRO HD- 56 PRO HB+ 5.50 (# 2712:20 Unique 2.98, 3.70 A)
&rst
ixpk= 2712, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 915, 916,
igr2= 921, 922,
&end
#
# 56 PRO HD+ 56 PRO HB+ 5.50 (# 2713:20 Unique 2.98, 3.70 A)
&rst
ixpk= 2713, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 915, 916,
igr2= 921, 922,
&end
#
# 56 PRO HD- 56 PRO HB- 5.50 (# 2714:20 Unique 2.98, 3.70 A)
&rst
ixpk= 2714, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 915, 916,
igr2= 921, 922,
&end
#
# 56 PRO HD+ 56 PRO HB- 4.50 (# 2715:20 Unique 2.98, 3.70 A)
&rst
ixpk= 2715, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 915, 916,
igr2= 921, 922,
&end
#
# 55 THR MG2 56 PRO HG- 4.50 (# 2717:20 Unique 3.90, 5.48 A)
&rst
ixpk= 2717, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 906, 907, 908,
igr2= 918, 919,
&end
#
# 55 THR MG2 56 PRO HG+ 5.50 (# 2722:20 Unique 3.90, 5.48 A)
&rst
ixpk= 2722, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 906, 907, 908,
igr2= 918, 919,
&end
#
# 57 LEU HB- 57 LEU HA 4.50 (# 2727:20 Unique 2.54, 2.80 A)
&rst
ixpk= 2727, nxpk= 20, iat= -1, 930, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 932, 933,
&end
#
# 0 AMB 20-2:2728 57 LEU HA 3.50 (# 2728:20 Single Ambig)
&rst
ixpk= 2728, nxpk= 20, iat= -1, 930, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 932, 933, 921, 922, 918, 919,
&end
#
# 57 LEU HG 57 LEU HA 3.50 (# 2729:20 Unique 2.23, 2.54 A)
&rst
ixpk= 2729, nxpk= 20, iat= 935, 930, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 57 LEU MDX 57 LEU HA 4.50 (# 2731:20 Unique 1.97, 3.96 A)
&rst
ixpk= 2731, nxpk= 20, iat= -1, 930, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 937, 938, 939, 941, 942, 943,
&end
#
# 57 LEU MDY 57 LEU HA 3.50 (# 2732:20 Unique 1.97, 3.96 A)
&rst
ixpk= 2732, nxpk= 20, iat= -1, 930, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 937, 938, 939, 941, 942, 943,
&end
#
# 0 AMB 20-2:2734 0 AMB 20-1:2734 5.50 (# 2734:20 Double Ambig)
&rst
ixpk= 2734, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=2601,2602,2603,2605,2606,2607, 218, 219, 220, 222,
223, 224, 218, 219, 220, 222, 223, 224,
igr2=2613, 930,
&end
#
# 57 LEU HA 57 LEU HB- 5.50 (# 2737:20 Unique 2.54, 2.80 A)
&rst
ixpk= 2737, nxpk= 20, iat= 930, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 932, 933,
&end
#
# 57 LEU HA 57 LEU HB+ 5.50 (# 2738:20 Unique 2.54, 2.80 A)
&rst
ixpk= 2738, nxpk= 20, iat= 930, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 932, 933,
&end
#
# 57 LEU HG 57 LEU HB- 5.50 (# 2739:20 Unique 2.26, 2.73 A)
&rst
ixpk= 2739, nxpk= 20, iat= 935, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 932, 933,
&end
#
# 57 LEU HG 57 LEU HB+ 5.50 (# 2740:20 Unique 2.26, 2.73 A)
&rst
ixpk= 2740, nxpk= 20, iat= 935, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 932, 933,
&end
#
# 57 LEU MDX 57 LEU HB- 4.50 (# 2741:20 Unique 2.04, 3.29 A)
&rst
ixpk= 2741, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 937, 938, 939, 941, 942, 943,
igr2= 932, 933,
&end
#
# 57 LEU MDX 57 LEU HB+ 4.50 (# 2742:20 Unique 2.04, 3.29 A)
&rst
ixpk= 2742, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 937, 938, 939, 941, 942, 943,
igr2= 932, 933,
&end
#
# 57 LEU MDY 57 LEU HB- 5.50 (# 2743:20 Unique 2.04, 3.29 A)
&rst
ixpk= 2743, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 937, 938, 939, 941, 942, 943,
igr2= 932, 933,
&end
#
# 57 LEU MDY 57 LEU HB+ 4.50 (# 2744:20 Unique 2.04, 3.29 A)
&rst
ixpk= 2744, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 937, 938, 939, 941, 942, 943,
igr2= 932, 933,
&end
#
# 0 AMB 20-2:2745 57 LEU MDX 5.50 (# 2745:20 Single Ambig)
&rst
ixpk= 2745, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 954, 955,1018,1019,
igr2= 937, 938, 939, 941, 942, 943,
&end
#
# 54 SER HB+ 57 LEU MDX 5.50 (# 2748:20 Unique 1.95, 4.54 A)
&rst
ixpk= 2748, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 893, 894,
igr2= 937, 938, 939, 941, 942, 943,
&end
#
# 0 AMB 20-2:2749 57 LEU MDX 5.50 (# 2749:20 Single Ambig)
&rst
ixpk= 2749, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 893, 894, 957, 958,
igr2= 937, 938, 939, 941, 942, 943,
&end
#
# 56 PRO HD- 57 LEU MDX 5.50 (# 2750:20 Unique 5.68, 8.07 A)
&rst
ixpk= 2750, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 915, 916,
igr2= 937, 938, 939, 941, 942, 943,
&end
#
# 23 HIS HD2 57 LEU MDX 5.50 (# 2752:20 Unique 6.08, 7.58 A)
&rst
ixpk= 2752, nxpk= 20, iat= 363, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 937, 938, 939, 941, 942, 943,
&end
#
# 0 AMB 20-2:2753 57 LEU MDY 5.50 (# 2753:20 Single Ambig)
&rst
ixpk= 2753, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 954, 955,1018,1019,
igr2= 937, 938, 939, 941, 942, 943,
&end
#
# 56 PRO HD- 57 LEU MDY 5.50 (# 2756:20 Unique 5.68, 8.07 A)
&rst
ixpk= 2756, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 915, 916,
igr2= 937, 938, 939, 941, 942, 943,
&end
#
# 0 AMB 20-2:2757 57 LEU MDY 4.50 (# 2757:20 Single Ambig)
&rst
ixpk= 2757, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 949, 891,
igr2= 937, 938, 939, 941, 942, 943,
&end
#
# 59 LEU MDY 59 LEU HB+ 4.50 (# 2759:20 Unique 2.07, 3.28 A)
&rst
ixpk= 2759, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 980, 981, 982, 984, 985, 986,
igr2= 975, 976,
&end
#
# 59 LEU HA 59 LEU HB+ 4.50 (# 2762:20 Unique 2.45, 2.83 A)
&rst
ixpk= 2762, nxpk= 20, iat= 973, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 975, 976,
&end
#
# 59 LEU HA 59 LEU HB- 4.50 (# 2763:20 Unique 2.45, 2.83 A)
&rst
ixpk= 2763, nxpk= 20, iat= 973, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 975, 976,
&end
#
# 94 GLU HB+ 59 LEU MDX 5.50 (# 2764:20 Unique 5.95, 7.91 A)
&rst
ixpk= 2764, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1572,1573,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 62 TYR HB+ 59 LEU MDX 5.50 (# 2765:20 Unique 2.90, 6.48 A)
&rst
ixpk= 2765, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1037,1038,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 0 AMB 20-2:2769 59 LEU MDY 4.50 (# 2769:20 Single Ambig)
&rst
ixpk= 2769, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.18, r4= 9.93,
igr1=1447,1448,1449,1451,1452,1453,1388,1389,1390,1392,
1393,1394,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 0 AMB 20-2:2770 59 LEU MDY 5.50 (# 2770:20 Single Ambig)
&rst
ixpk= 2770, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1058,1059,1362,1363,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 82 LEU HA 59 LEU MDY 5.50 (# 2772:20 Unique 2.23, 6.06 A)
&rst
ixpk= 2772, nxpk= 20, iat=1381, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 89 SER HB- 59 LEU MDY 5.50 (# 2773:20 Unique 2.09, 5.39 A)
&rst
ixpk= 2773, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1495,1496,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 0 AMB 20-2:2774 60 ARG HA 4.50 (# 2774:20 Single Ambig)
&rst
ixpk= 2774, nxpk= 20, iat= -1, 992, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
igr1= 218, 219, 220, 222, 223, 224, 218, 219, 220, 222,
223, 224, 159, 160, 161,
&end
#
# 0 AMB 20-2:2778 61 LEU HA 3.50 (# 2778:20 Single Ambig)
&rst
ixpk= 2778, nxpk= 20, iat= -1,1016, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
igr1= 159, 160, 161, 218, 219, 220, 222, 223, 224, 218,
219, 220, 222, 223, 224,
&end
#
# 11 LEU MDX 61 LEU MDX 5.50 (# 2779:20 Unique 2.60, 6.42 A)
&rst
ixpk= 2779, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 174, 175, 176, 178, 179, 180,
igr2=1023,1024,1025,1027,1028,1029,
&end
#
# 45 LEU HG 61 LEU MDX 5.50 (# 2781:20 Unique 3.63, 6.19 A)
&rst
ixpk= 2781, nxpk= 20, iat= 745, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1023,1024,1025,1027,1028,1029,
&end
#
# 0 AMB 20-2:2782 61 LEU MDX 6.50 (# 2782:20 Single Ambig)
&rst
ixpk= 2782, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.52, r4=11.27,
igr1= 456, 457,1306,
igr2=1023,1024,1025,1027,1028,1029,
&end
#
# 65 PHE HB+ 61 LEU MDX 5.50 (# 2783:20 Unique 1.92, 4.15 A)
&rst
ixpk= 2783, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1084,1085,
igr2=1023,1024,1025,1027,1028,1029,
&end
#
# 58 ARG HA 61 LEU MDX 5.50 (# 2784:20 Unique 2.12, 5.32 A)
&rst
ixpk= 2784, nxpk= 20, iat= 949, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1023,1024,1025,1027,1028,1029,
&end
#
# 45 LEU MDX 61 LEU MDY 4.50 (# 2785:20 Unique 1.98, 5.46 A)
&rst
ixpk= 2785, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 747, 748, 749, 751, 752, 753,
igr2=1023,1024,1025,1027,1028,1029,
&end
#
# 65 PHE HA 61 LEU MDY 5.50 (# 2790:20 Unique 4.52, 6.30 A)
&rst
ixpk= 2790, nxpk= 20, iat=1082, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1023,1024,1025,1027,1028,1029,
&end
#
# 62 TYR HB- 62 TYR HA 4.50 (# 2793:20 Unique 2.25, 2.64 A)
&rst
ixpk= 2793, nxpk= 20, iat= -1,1035, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1037,1038,
&end
#
# 62 TYR HB+ 62 TYR HA 5.50 (# 2794:20 Unique 2.25, 2.64 A)
&rst
ixpk= 2794, nxpk= 20, iat= -1,1035, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1037,1038,
&end
#
# 66 VAL MGX 62 TYR HA 4.50 (# 2795:20 Unique 1.97, 4.00 A)
&rst
ixpk= 2795, nxpk= 20, iat= -1,1035, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1106,1107,1108,1110,1111,1112,
&end
#
# 59 LEU MDY 62 TYR HB- 5.50 (# 2796:20 Unique 2.90, 6.48 A)
&rst
ixpk= 2796, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 980, 981, 982, 984, 985, 986,
igr2=1037,1038,
&end
#
# 59 LEU HA 62 TYR HB- 5.50 (# 2797:20 Unique 1.89, 3.47 A)
&rst
ixpk= 2797, nxpk= 20, iat= 973, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1037,1038,
&end
#
# 62 TYR HD 62 TYR HB- 5.50 (# 2798:20 Unique 2.33, 3.05 A)
&rst
ixpk= 2798, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1041,1050,
igr2=1037,1038,
&end
#
# 0 AMB 20-2:2800 0 AMB 20-1:2800 4.50 (# 2800:20 Double Ambig)
&rst
ixpk= 2800, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 992,2359,
igr2=1058,1059,1626,1627,
&end
#
# 60 ARG HA 63 ASP HB+ 4.50 (# 2801:20 Unique 2.33, 3.19 A)
&rst
ixpk= 2801, nxpk= 20, iat= 992, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1058,1059,
&end
#
# 61 LEU MDY 65 PHE HA 5.50 (# 2805:20 Unique 4.52, 6.30 A)
&rst
ixpk= 2805, nxpk= 20, iat= -1,1082, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1023,1024,1025,1027,1028,1029,
&end
#
# 7 ILE QG2 65 PHE HA 5.50 (# 2806:20 Unique 5.57, 6.70 A)
&rst
ixpk= 2806, nxpk= 20, iat= -1,1082, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 107, 108, 109,
&end
#
# 68 LYS HG+ 65 PHE HA 5.50 (# 2808:20 Unique 2.41, 4.33 A)
&rst
ixpk= 2808, nxpk= 20, iat= -1,1082, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1134,1135,
&end
#
# 68 LYS HD- 65 PHE HA 5.50 (# 2809:20 Unique 2.60, 4.26 A)
&rst
ixpk= 2809, nxpk= 20, iat= -1,1082, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1137,1138,
&end
#
# 65 PHE HB- 65 PHE HA 4.50 (# 2810:20 Unique 2.47, 2.79 A)
&rst
ixpk= 2810, nxpk= 20, iat= -1,1082, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1084,1085,
&end
#
# 65 PHE HB+ 65 PHE HA 5.50 (# 2811:20 Unique 2.47, 2.79 A)
&rst
ixpk= 2811, nxpk= 20, iat= -1,1082, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1084,1085,
&end
#
# 65 PHE HD 65 PHE HA 4.50 (# 2812:20 Unique 3.03, 3.48 A)
&rst
ixpk= 2812, nxpk= 20, iat= -1,1082, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1088,1096,
&end
#
# 61 LEU MDY 65 PHE HB+ 5.50 (# 2813:20 Unique 1.92, 4.15 A)
&rst
ixpk= 2813, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1023,1024,1025,1027,1028,1029,
igr2=1084,1085,
&end
#
# 65 PHE HA 65 PHE HB+ 5.50 (# 2814:20 Unique 2.47, 2.79 A)
&rst
ixpk= 2814, nxpk= 20, iat=1082, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1084,1085,
&end
#
# 65 PHE HD 65 PHE HB+ 5.50 (# 2815:20 Unique 2.28, 3.04 A)
&rst
ixpk= 2815, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1088,1096,
igr2=1084,1085,
&end
#
# 65 PHE HA 65 PHE HB- 5.50 (# 2816:20 Unique 2.47, 2.79 A)
&rst
ixpk= 2816, nxpk= 20, iat=1082, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1084,1085,
&end
#
# 0 AMB 20-2:2817 0 AMB 20-1:2817 4.50 (# 2817:20 Double Ambig)
&rst
ixpk= 2817, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 156, 157, 156, 157,
igr2=1058,1059,1084,1085,
&end
#
# 61 LEU MDY 65 PHE HB- 5.50 (# 2818:20 Unique 1.92, 4.15 A)
&rst
ixpk= 2818, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1023,1024,1025,1027,1028,1029,
igr2=1084,1085,
&end
#
# 10 ILE QD1 0 AMB 20-1:2819 4.50 (# 2819:20 Single Ambig)
&rst
ixpk= 2819, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 159, 160, 161,
igr2=1084,1085,1058,1059,
&end
#
# 62 TYR HA 66 VAL HA 5.50 (# 2820:20 Unique 4.21, 4.49 A)
&rst
ixpk= 2820, nxpk= 20, iat=1035,1102, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 62 TYR HA 66 VAL HB 4.50 (# 2822:20 Unique 1.95, 2.08 A)
&rst
ixpk= 2822, nxpk= 20, iat=1035,1104, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 81 TYR HE 66 VAL MGY 4.50 (# 2825:20 Unique 2.20, 7.61 A)
&rst
ixpk= 2825, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1368,1373,
igr2=1106,1107,1108,1110,1111,1112,
&end
#
# 66 VAL MGX 67 SER HA 5.50 (# 2826:20 Unique 3.16, 5.69 A)
&rst
ixpk= 2826, nxpk= 20, iat= -1,1118, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1106,1107,1108,1110,1111,1112,
&end
#
# 0 AMB 20-2:2827 67 SER HA 5.50 (# 2827:20 Single Ambig)
&rst
ixpk= 2827, nxpk= 20, iat= -1,1118, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1173,1174,1153,1154,
&end
#
# 67 SER HB- 67 SER HA 3.50 (# 2828:20 Unique 2.24, 2.70 A)
&rst
ixpk= 2828, nxpk= 20, iat= -1,1118, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1120,1121,
&end
#
# 67 SER HB+ 67 SER HA 3.50 (# 2829:20 Unique 2.24, 2.70 A)
&rst
ixpk= 2829, nxpk= 20, iat= -1,1118, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1120,1121,
&end
#
# 70 TYR HE 67 SER HA 5.50 (# 2830:20 Unique 3.01, 7.01 A)
&rst
ixpk= 2830, nxpk= 20, iat= -1,1118, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1179,1184,
&end
#
# 67 SER HA 67 SER HB- 3.50 (# 2832:20 Unique 2.24, 2.70 A)
&rst
ixpk= 2832, nxpk= 20, iat=1118, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1120,1121,
&end
#
# 67 SER HA 67 SER HB+ 4.50 (# 2833:20 Unique 2.24, 2.70 A)
&rst
ixpk= 2833, nxpk= 20, iat=1118, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1120,1121,
&end
#
# 0 AMB 20-2:2834 67 SER HB- 5.50 (# 2834:20 Single Ambig)
&rst
ixpk= 2834, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1056,1769,
igr2=1120,1121,
&end
#
# 63 ASP HA 67 SER HB+ 5.50 (# 2835:20 Unique 4.32, 5.68 A)
&rst
ixpk= 2835, nxpk= 20, iat=1056, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1120,1121,
&end
#
# 66 VAL MGX 70 TYR HA 5.50 (# 2838:20 Unique 4.02, 8.32 A)
&rst
ixpk= 2838, nxpk= 20, iat= -1,1171, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1106,1107,1108,1110,1111,1112,
&end
#
# 0 AMB 20-2:2839 70 TYR HA 5.50 (# 2839:20 Single Ambig)
&rst
ixpk= 2839, nxpk= 20, iat= -1,1171, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=1237,1238,1239,1206,1207,
&end
#
# 70 TYR HE 70 TYR HA 5.50 (# 2840:20 Unique 5.77, 6.30 A)
&rst
ixpk= 2840, nxpk= 20, iat= -1,1171, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1179,1184,
&end
#
# 72 LYS HE+ 72 LYS HA 5.50 (# 2841:20 Unique 2.04, 3.94 A)
&rst
ixpk= 2841, nxpk= 20, iat= -1,1204, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1215,1216,
&end
#
# 72 LYS HE- 72 LYS HA 5.50 (# 2842:20 Unique 2.04, 3.94 A)
&rst
ixpk= 2842, nxpk= 20, iat= -1,1204, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1215,1216,
&end
#
# 73 ILE HG1- 73 ILE HA 4.50 (# 2844:20 Unique 3.52, 3.68 A)
&rst
ixpk= 2844, nxpk= 20, iat= -1,1226, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1234,1235,
&end
#
# 73 ILE HB 73 ILE HA 3.50 (# 2845:20 Unique 2.37, 2.56 A)
&rst
ixpk= 2845, nxpk= 20, iat=1228,1226, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 73 ILE HG1+ 73 ILE HB 4.50 (# 2846:20 Unique 2.43, 2.76 A)
&rst
ixpk= 2846, nxpk= 20, iat= -1,1228, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1234,1235,
&end
#
# 73 ILE HB 73 ILE HG1- 3.50 (# 2849:20 Unique 2.43, 2.76 A)
&rst
ixpk= 2849, nxpk= 20, iat=1228, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1234,1235,
&end
#
# 0 AMB 20-2:2851 0 AMB 20-1:2851 5.50 (# 2851:20 Double Ambig)
&rst
ixpk= 2851, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1226, 847,
igr2=1234,1235, 874, 875,
&end
#
# 69 PHE HD 73 ILE HG1- 5.50 (# 2852:20 Unique 2.74, 4.94 A)
&rst
ixpk= 2852, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1157,1165,
igr2=1234,1235,
&end
#
# 69 PHE HD 73 ILE HG1+ 5.50 (# 2853:20 Unique 2.74, 4.94 A)
&rst
ixpk= 2853, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1157,1165,
igr2=1234,1235,
&end
#
# 73 ILE HA 73 ILE HG1+ 5.50 (# 2855:20 Unique 3.52, 3.68 A)
&rst
ixpk= 2855, nxpk= 20, iat=1226, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1234,1235,
&end
#
# 77 SER HA 80 LYS HG- 5.50 (# 2856:20 Unique 3.32, 4.39 A)
&rst
ixpk= 2856, nxpk= 20, iat=1295, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1343,1344,
&end
#
# 103 LYS HA 103 LYS HG- 5.50 (# 2858:20 Unique 2.31, 3.15 A)
&rst
ixpk= 2858, nxpk= 20, iat=1720, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1725,1726,
&end
#
# 80 LYS HE+ 80 LYS HG- 4.50 (# 2859:20 Unique 2.09, 3.05 A)
&rst
ixpk= 2859, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1349,1350,
igr2=1343,1344,
&end
#
# 80 LYS HB- 80 LYS HG- 5.50 (# 2861:20 Unique 2.21, 2.66 A)
&rst
ixpk= 2861, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1340,1341,
igr2=1343,1344,
&end
#
# 73 ILE HB 73 ILE HG1+ 3.50 (# 2862:20 Unique 2.43, 2.76 A)
&rst
ixpk= 2862, nxpk= 20, iat=1228, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1234,1235,
&end
#
# 80 LYS HD- 80 LYS HG- 5.50 (# 2863:20 Unique 2.22, 2.69 A)
&rst
ixpk= 2863, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1346,1347,
igr2=1343,1344,
&end
#
# 78 VAL HB 78 VAL HA 5.50 (# 2873:20 Unique 2.28, 2.35 A)
&rst
ixpk= 2873, nxpk= 20, iat=1308,1306, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:2876 78 VAL HB 5.50 (# 2876:20 Single Ambig)
&rst
ixpk= 2876, nxpk= 20, iat= -1,1308, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1234,1235,1326,1327,1328,1330,1331,1332,
&end
#
# 78 VAL HA 78 VAL HB 5.50 (# 2877:20 Unique 2.28, 2.35 A)
&rst
ixpk= 2877, nxpk= 20, iat=1306,1308, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 73 ILE HG1- 78 VAL MGY 5.50 (# 2885:20 Unique 2.63, 5.74 A)
&rst
ixpk= 2885, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1234,1235,
igr2=1310,1311,1312,1314,1315,1316,
&end
#
# 0 AMB 20-2:2886 78 VAL MGY 4.50 (# 2886:20 Single Ambig)
&rst
ixpk= 2886, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1104,1264,1265,1324,
igr2=1310,1311,1312,1314,1315,1316,
&end
#
# 0 AMB 20-2:2888 78 VAL MGY 6.50 (# 2888:20 Single Ambig)
&rst
ixpk= 2888, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.84, r4=10.59,
igr1=1338,1360,
igr2=1310,1311,1312,1314,1315,1316,
&end
#
# 102 LEU MDX 79 VAL MGX 5.50 (# 2892:20 Unique 2.01, 5.77 A)
&rst
ixpk= 2892, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=1708,1709,1710,1712,1713,1714,
igr2=1326,1327,1328,1330,1331,1332,
&end
#
# 0 AMB 20-2:2894 79 VAL MGX 3.50 (# 2894:20 Single Ambig)
&rst
ixpk= 2894, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.80, r4= 7.55,
igr1=2116,2117,2118,2120,2121,2122,2075,2076,2077,
igr2=1326,1327,1328,1330,1331,1332,
&end
#
# 78 VAL MGX 79 VAL MGX 3.50 (# 2895:20 Unique 2.16, 5.28 A)
&rst
ixpk= 2895, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1310,1311,1312,1314,1315,1316,
igr2=1326,1327,1328,1330,1331,1332,
&end
#
# 78 VAL HB 79 VAL MGX 5.50 (# 2896:20 Unique 3.93, 6.33 A)
&rst
ixpk= 2896, nxpk= 20, iat=1308, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1326,1327,1328,1330,1331,1332,
&end
#
# 106 PHE HD 79 VAL MGX 5.50 (# 2899:20 Unique 3.09, 7.21 A)
&rst
ixpk= 2899, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1775,1783,
igr2=1326,1327,1328,1330,1331,1332,
&end
#
# 80 LYS HA 79 VAL MGY 4.50 (# 2902:20 Unique 3.30, 5.40 A)
&rst
ixpk= 2902, nxpk= 20, iat=1338, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1326,1327,1328,1330,1331,1332,
&end
#
# 0 AMB 20-2:2906 80 LYS HA 4.50 (# 2906:20 Single Ambig)
&rst
ixpk= 2906, nxpk= 20, iat= -1,1338, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1343,1344,1326,1327,1328,1330,1331,1332,
&end
#
# 0 AMB 20-2:2910 80 LYS HA 4.50 (# 2910:20 Single Ambig)
&rst
ixpk= 2910, nxpk= 20, iat= -1,1338, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1340,1341,1405,
&end
#
# 0 AMB 20-2:2911 0 AMB 20-1:2911 6.50 (# 2911:20 Double Ambig)
&rst
ixpk= 2911, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=17.24, r4=17.99,
igr1=1407,1408,1409,1411,1412,1413,2136,2137,1447,1448,
1449,1451,1452,1453, 114, 115, 116,1106,1107,1108,
1110,1111,1112,1388,1389,1390,1392,1393,1394,
igr2=1340,1341,2193,2194,2193,2194,1617,1618,1131,1132,
2193,2194,
&end
#
# 0 AMB 20-2:2912 0 AMB 20-1:2912 5.50 (# 2912:20 Double Ambig)
&rst
ixpk= 2912, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=2189,2190,2191,2132,2133,2134,
igr2=2193,2194,2193,2194,
&end
#
# 115 ARG HG- 111 SER HA 5.50 (# 2920:20 Unique 3.45, 5.44 A)
&rst
ixpk= 2920, nxpk= 20, iat= -1,1852, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1929,1930,
&end
#
# 114 GLN HB+ 111 SER HA 6.50 (# 2921:20 Unique 2.42, 5.68 A)
&rst
ixpk= 2921, nxpk= 20, iat= -1,1852, r1= 0.00, r2= 1.80, r3= 7.30, r4= 8.05,
igr1=1909,1910,
&end
#
# 115 ARG HG+ 111 SER HB+ 5.50 (# 2926:20 Unique 4.64, 7.14 A)
&rst
ixpk= 2926, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1929,1930,
igr2=1854,1855,
&end
#
# 98 TYR HB+ 98 TYR HA 4.50 (# 2930:20 Unique 2.63, 2.82 A)
&rst
ixpk= 2930, nxpk= 20, iat= -1,1637, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1639,1640,
&end
#
# 89 SER HB+ 86 LEU HA 4.50 (# 2931:20 Unique 2.52, 3.61 A)
&rst
ixpk= 2931, nxpk= 20, iat= -1,1440, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1495,1496,
&end
#
# 89 SER HB- 86 LEU HA 4.50 (# 2932:20 Unique 2.52, 3.61 A)
&rst
ixpk= 2932, nxpk= 20, iat= -1,1440, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1495,1496,
&end
#
# 86 LEU MDX 86 LEU HB+ 4.50 (# 2933:20 Unique 2.10, 3.30 A)
&rst
ixpk= 2933, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1447,1448,1449,1451,1452,1453,
igr2=1442,1443,
&end
#
# 0 AMB 20-2:2934 0 AMB 20-1:2934 4.50 (# 2934:20 Double Ambig)
&rst
ixpk= 2934, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.82, r4=10.57,
igr1=1447,1448,1449,1451,1452,1453,1388,1389,1390,1392,
1393,1394,1407,1408,1409,1411,1412,1413,
igr2=1442,1443,1442,1443,1442,1443,
&end
#
# 83 LEU HA 86 LEU HB+ 5.50 (# 2935:20 Unique 2.14, 3.11 A)
&rst
ixpk= 2935, nxpk= 20, iat=1400, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1442,1443,
&end
#
# 98 TYR HB+ 86 LEU MDX 5.50 (# 2939:20 Unique 1.97, 3.98 A)
&rst
ixpk= 2939, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1639,1640,
igr2=1447,1448,1449,1451,1452,1453,
&end
#
# 82 LEU HA 86 LEU MDX 5.50 (# 2940:20 Unique 3.42, 5.22 A)
&rst
ixpk= 2940, nxpk= 20, iat=1381, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1447,1448,1449,1451,1452,1453,
&end
#
# 82 LEU HA 86 LEU MDY 5.50 (# 2946:20 Unique 3.42, 5.22 A)
&rst
ixpk= 2946, nxpk= 20, iat=1381, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1447,1448,1449,1451,1452,1453,
&end
#
# 88 ASP HB- 88 ASP HA 3.50 (# 2947:20 Unique 2.35, 2.76 A)
&rst
ixpk= 2947, nxpk= 20, iat= -1,1481, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1483,1484,
&end
#
# 88 ASP HB+ 88 ASP HA 3.50 (# 2948:20 Unique 2.35, 2.76 A)
&rst
ixpk= 2948, nxpk= 20, iat= -1,1481, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1483,1484,
&end
#
# 0 AMB 20-2:2951 88 ASP HB- 3.50 (# 2951:20 Single Ambig)
&rst
ixpk= 2951, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1481, 924,
igr2=1483,1484,
&end
#
# 0 AMB 20-2:2952 0 AMB 20-1:2952 3.50 (# 2952:20 Double Ambig)
&rst
ixpk= 2952, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1481, 924,
igr2=1483,1484,1483,1484,
&end
#
# 86 LEU MDX 89 SER HB- 4.50 (# 2955:20 Unique 3.88, 6.88 A)
&rst
ixpk= 2955, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1447,1448,1449,1451,1452,1453,
igr2=1495,1496,
&end
#
# 86 LEU MDX 89 SER HB+ 4.50 (# 2956:20 Unique 3.88, 6.88 A)
&rst
ixpk= 2956, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1447,1448,1449,1451,1452,1453,
igr2=1495,1496,
&end
#
# 94 GLU HB+ 91 ASP HB+ 4.50 (# 2960:20 Unique 1.99, 3.30 A)
&rst
ixpk= 2960, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1572,1573,
igr2=1528,1529,
&end
#
# 94 GLU HB+ 91 ASP HB- 4.50 (# 2961:20 Unique 1.99, 3.30 A)
&rst
ixpk= 2961, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1572,1573,
igr2=1528,1529,
&end
#
# 97 LYS HD+ 94 GLU HA 4.50 (# 2964:20 Unique 2.91, 4.80 A)
&rst
ixpk= 2964, nxpk= 20, iat= -1,1570, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1623,1624,
&end
#
# 91 ASP HB+ 94 GLU HB- 4.50 (# 2965:20 Unique 1.99, 3.30 A)
&rst
ixpk= 2965, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1528,1529,
igr2=1572,1573,
&end
#
# 91 ASP HB+ 94 GLU HB+ 4.50 (# 2966:20 Unique 1.99, 3.30 A)
&rst
ixpk= 2966, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1528,1529,
igr2=1572,1573,
&end
#
# 98 TYR HD 94 GLU HB- 5.50 (# 2967:20 Unique 3.63, 5.38 A)
&rst
ixpk= 2967, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1643,1652,
igr2=1572,1573,
&end
#
# 98 TYR HE 94 GLU HB+ 5.50 (# 2968:20 Unique 3.50, 5.28 A)
&rst
ixpk= 2968, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1645,1650,
igr2=1572,1573,
&end
#
# 98 TYR HD 94 GLU HG+ 5.50 (# 2970:20 Unique 3.13, 5.53 A)
&rst
ixpk= 2970, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1643,1652,
igr2=1575,1576,
&end
#
# 98 TYR HE 94 GLU HG+ 4.50 (# 2971:20 Unique 2.13, 4.67 A)
&rst
ixpk= 2971, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1645,1650,
igr2=1575,1576,
&end
#
# 86 LEU MDY 94 GLU HG- 5.50 (# 2974:20 Unique 4.29, 7.02 A)
&rst
ixpk= 2974, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1447,1448,1449,1451,1452,1453,
igr2=1575,1576,
&end
#
# 86 LEU MDX 95 SER HA 5.50 (# 2975:20 Unique 1.97, 3.89 A)
&rst
ixpk= 2975, nxpk= 20, iat= -1,1585, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1447,1448,1449,1451,1452,1453,
&end
#
# 0 AMB 20-2:2979 96 LEU HA 4.50 (# 2979:20 Single Ambig)
&rst
ixpk= 2979, nxpk= 20, iat= -1,1596, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1=2196,2197,2198,2193,2194,
&end
#
# 96 LEU HA 96 LEU HG 3.50 (# 2985:20 Unique 2.51, 3.03 A)
&rst
ixpk= 2985, nxpk= 20, iat=1596,1601, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:2987 96 LEU MDX 4.50 (# 2987:20 Single Ambig)
&rst
ixpk= 2987, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=2252,1615,
igr2=1603,1604,1605,1607,1608,1609,
&end
#
# 0 AMB 20-2:2988 96 LEU MDX 4.50 (# 2988:20 Single Ambig)
&rst
ixpk= 2988, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1585,1677,
igr2=1603,1604,1605,1607,1608,1609,
&end
#
# 93 ASP HA 96 LEU MDX 5.50 (# 2989:20 Unique 1.99, 4.38 A)
&rst
ixpk= 2989, nxpk= 20, iat=1558, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1603,1604,1605,1607,1608,1609,
&end
#
# 0 AMB 20-2:2991 96 LEU MDX 5.50 (# 2991:20 Single Ambig)
&rst
ixpk= 2991, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=2254,2255,1540,1541,
igr2=1603,1604,1605,1607,1608,1609,
&end
#
# 0 AMB 20-2:2993 96 LEU MDX 5.50 (# 2993:20 Single Ambig)
&rst
ixpk= 2993, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1679,1680,1560,1561,
igr2=1603,1604,1605,1607,1608,1609,
&end
#
# 0 AMB 20-2:2995 96 LEU MDX 4.50 (# 2995:20 Single Ambig)
&rst
ixpk= 2995, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=2187,1617,1618,
igr2=1603,1604,1605,1607,1608,1609,
&end
#
# 82 LEU HB- 99 LEU MDX 3.50 (# 2997:20 Unique 3.10, 5.61 A)
&rst
ixpk= 2997, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1383,1384,
igr2=1665,1666,1667,1669,1670,1671,
&end
#
# 97 LYS HG- 97 LYS HA 4.50 (# 3000:20 Unique 2.07, 3.05 A)
&rst
ixpk= 3000, nxpk= 20, iat= -1,1615, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1620,1621,
&end
#
# 0 AMB 20-2:3002 0 AMB 20-1:3002 3.50 (# 3002:20 Double Ambig)
&rst
ixpk= 3002, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1623,1624, 156, 157,
igr2=1626,1627,1058,1059,
&end
#
# 94 GLU HA 97 LYS HE+ 4.50 (# 3004:20 Unique 4.14, 5.23 A)
&rst
ixpk= 3004, nxpk= 20, iat=1570, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1626,1627,
&end
#
# 0 AMB 20-2:3005 97 LYS HE- 5.50 (# 3005:20 Single Ambig)
&rst
ixpk= 3005, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1615,2252,
igr2=1626,1627,
&end
#
# 94 GLU HA 97 LYS HE- 4.50 (# 3006:20 Unique 4.14, 5.23 A)
&rst
ixpk= 3006, nxpk= 20, iat=1570, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1626,1627,
&end
#
# 97 LYS HB- 97 LYS HE- 4.50 (# 3007:20 Unique 3.11, 4.35 A)
&rst
ixpk= 3007, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1617,1618,
igr2=1626,1627,
&end
#
# 97 LYS HG+ 97 LYS HE- 3.50 (# 3008:20 Unique 2.12, 3.01 A)
&rst
ixpk= 3008, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1620,1621,
igr2=1626,1627,
&end
#
# 82 LEU MDX 98 TYR HA 6.50 (# 3009:20 Unique 4.68, 6.39 A)
&rst
ixpk= 3009, nxpk= 20, iat= -1,1637, r1= 0.00, r2= 1.80, r3= 8.76, r4= 9.51,
igr1=1388,1389,1390,1392,1393,1394,
&end
#
# 0 AMB 20-2:3010 0 AMB 20-1:3010 3.50 (# 3010:20 Double Ambig)
&rst
ixpk= 3010, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1828,1829,1830,1832,1833,1834,2196,2197,2198,
igr2=1769,1677,
&end
#
# 0 AMB 20-2:3013 0 AMB 20-1:3013 3.50 (# 3013:20 Double Ambig)
&rst
ixpk= 3013, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2193,2194,1722,1723,1823,1824,
igr2=1677,1769,
&end
#
# 103 LYS HB- 100 ASP HA 4.50 (# 3014:20 Unique 2.98, 3.87 A)
&rst
ixpk= 3014, nxpk= 20, iat= -1,1677, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1722,1723,
&end
#
# 106 PHE HB- 106 PHE HA 4.50 (# 3015:20 Unique 2.41, 2.77 A)
&rst
ixpk= 3015, nxpk= 20, iat= -1,1769, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1771,1772,
&end
#
# 0 AMB 20-2:3018 0 AMB 20-1:3018 5.50 (# 3018:20 Double Ambig)
&rst
ixpk= 3018, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1=1467,1468,1660,1661,1728,1729,1442,1443,
igr2=1483,1484,1679,1680,1679,1680,
&end
#
# 96 LEU HB- 100 ASP HB+ 5.50 (# 3019:20 Unique 4.09, 5.41 A)
&rst
ixpk= 3019, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1598,1599,
igr2=1679,1680,
&end
#
# 103 LYS HB- 100 ASP HB+ 5.50 (# 3020:20 Unique 5.35, 6.41 A)
&rst
ixpk= 3020, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1722,1723,
igr2=1679,1680,
&end
#
# 97 LYS HB+ 100 ASP HB+ 5.50 (# 3022:20 Unique 4.27, 5.28 A)
&rst
ixpk= 3022, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1617,1618,
igr2=1679,1680,
&end
#
# 0 AMB 20-2:3023 63 ASP HA 4.50 (# 3023:20 Single Ambig)
&rst
ixpk= 3023, nxpk= 20, iat= -1,1056, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1041,1050,1043,1048,
&end
#
# 0 AMB 20-2:3024 0 AMB 20-1:3024 4.50 (# 3024:20 Double Ambig)
&rst
ixpk= 3024, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1703,1704,1744,1745,1746,
igr2=1691,1692,1691,1692,
&end
#
# 102 LEU MDX 102 LEU HB- 5.50 (# 3026:20 Unique 1.96, 3.26 A)
&rst
ixpk= 3026, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1708,1709,1710,1712,1713,1714,
igr2=1703,1704,
&end
#
# 102 LEU MDX 102 LEU HB+ 5.50 (# 3027:20 Unique 1.96, 3.26 A)
&rst
ixpk= 3027, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1708,1709,1710,1712,1713,1714,
igr2=1703,1704,
&end
#
# 102 LEU MDY 102 LEU HB- 4.50 (# 3028:20 Unique 1.96, 3.26 A)
&rst
ixpk= 3028, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1708,1709,1710,1712,1713,1714,
igr2=1703,1704,
&end
#
# 103 LYS HD+ 103 LYS HA 6.50 (# 3029:20 Unique 2.00, 4.05 A)
&rst
ixpk= 3029, nxpk= 20, iat= -1,1720, r1= 0.00, r2= 1.80, r3= 7.30, r4= 8.05,
igr1=1728,1729,
&end
#
# 103 LYS HE+ 103 LYS HA 5.50 (# 3032:20 Unique 1.95, 4.39 A)
&rst
ixpk= 3032, nxpk= 20, iat= -1,1720, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1731,1732,
&end
#
# 107 GLN HB+ 104 ALA HA 4.50 (# 3033:20 Unique 2.77, 3.86 A)
&rst
ixpk= 3033, nxpk= 20, iat= -1,1742, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1791,1792,
&end
#
# 70 TYR HE 105 GLN HG- 5.50 (# 3035:20 Unique 4.41, 7.89 A)
&rst
ixpk= 3035, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1179,1184,
igr2=1757,1758,
&end
#
# 70 TYR HE 105 GLN HG+ 5.50 (# 3036:20 Unique 4.41, 7.89 A)
&rst
ixpk= 3036, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1179,1184,
igr2=1757,1758,
&end
#
# 102 LEU HA 105 GLN HG- 5.50 (# 3038:20 Unique 3.88, 4.51 A)
&rst
ixpk= 3038, nxpk= 20, iat=1701, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1757,1758,
&end
#
# 102 LEU MDX 105 GLN HG- 5.50 (# 3039:20 Unique 4.90, 7.96 A)
&rst
ixpk= 3039, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1708,1709,1710,1712,1713,1714,
igr2=1757,1758,
&end
#
# 102 LEU MDX 105 GLN HG+ 5.50 (# 3040:20 Unique 4.90, 7.96 A)
&rst
ixpk= 3040, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1708,1709,1710,1712,1713,1714,
igr2=1757,1758,
&end
#
# 0 AMB 20-2:3042 107 GLN HB- 5.50 (# 3042:20 Single Ambig)
&rst
ixpk= 3042, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
igr1=1744,1745,1746,1703,1704,
igr2=1791,1792,
&end
#
# 0 AMB 20-2:3043 0 AMB 20-1:3043 4.50 (# 3043:20 Double Ambig)
&rst
ixpk= 3043, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1744,1745,1746,1703,1704,
igr2=1791,1792,1791,1792,
&end
#
# 104 ALA HA 107 GLN HB+ 4.50 (# 3044:20 Unique 2.77, 3.86 A)
&rst
ixpk= 3044, nxpk= 20, iat=1742, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1791,1792,
&end
#
# 112 LYS HB- 112 LYS HG- 3.50 (# 3046:20 Unique 2.21, 2.64 A)
&rst
ixpk= 3046, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1865,1866,
igr2=1868,1869,
&end
#
# 119 SER HB- 115 ARG HD+ 5.50 (# 3049:20 Unique 2.15, 5.74 A)
&rst
ixpk= 3049, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1985,1986,
igr2=1932,1933,
&end
#
# 118 GLY HA- 115 ARG HD+ 5.50 (# 3050:20 Unique 2.52, 6.08 A)
&rst
ixpk= 3050, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1976,1977,
igr2=1932,1933,
&end
#
# 113 LYS HG+ 110 ASP HA 6.50 (# 3052:20 Unique 2.54, 5.84 A)
&rst
ixpk= 3052, nxpk= 20, iat= -1,1840, r1= 0.00, r2= 1.80, r3= 7.30, r4= 8.05,
igr1=1890,1891,
&end
#
# 0 AMB 20-2:3057 0 AMB 20-1:3057 4.50 (# 3057:20 Double Ambig)
&rst
ixpk= 3057, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.82, r4=10.57,
igr1=2097,2098,2099,2101,2102,2103,2097,2098,2099,2101,
2102,2103,1283,1284,1285,1287,1288,1289,
igr2=2045,2046,2045,2046,2045,2046,
&end
#
# 0 AMB 20-2:3058 123 GLY HA- 4.50 (# 3058:20 Single Ambig)
&rst
ixpk= 3058, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=2097,2098,2099,2101,2102,2103,1283,1284,1285,1287,
1288,1289,
igr2=2045,2046,
&end
#
# 0 AMB 20-2:3062 124 ASP HA 4.50 (# 3062:20 Single Ambig)
&rst
ixpk= 3062, nxpk= 20, iat= -1,2052, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1=2095,1278,1279,1261,1262,
&end
#
# 0 AMB 20-2:3063 124 ASP HA 4.50 (# 3063:20 Single Ambig)
&rst
ixpk= 3063, nxpk= 20, iat= -1,2052, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=2111,2112,2092,2093,1996,1997,
&end
#
# 0 AMB 20-2:3070 0 AMB 20-1:3070 5.50 (# 3070:20 Double Ambig)
&rst
ixpk= 3070, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2114,1996,1997,
igr2=2064,2065,2064,2065,
&end
#
# 32 PHE HD 32 PHE HA 5.50 (# 3074:20 Unique 1.95, 3.24 A)
&rst
ixpk= 3074, nxpk= 20, iat= -1, 511, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 517, 525,
&end
#
# 0 AMB 20-2:3075 0 AMB 20-1:3075 4.50 (# 3075:20 Double Ambig)
&rst
ixpk= 3075, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=2159,1677, 684,
igr2=2147, 511,
&end
#
# 0 AMB 20-2:3076 0 AMB 20-1:3076 6.50 (# 3076:20 Double Ambig)
&rst
ixpk= 3076, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.19, r4= 9.94,
igr1=2090,2109, 731, 732,
igr2=2147, 511,
&end
#
# 31 LYS HE+ 32 PHE HA 5.50 (# 3080:20 Unique 4.27, 5.30 A)
&rst
ixpk= 3080, nxpk= 20, iat= -1, 511, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 500, 501,
&end
#
# 35 GLU HB- 32 PHE HA 5.50 (# 3082:20 Unique 2.53, 4.12 A)
&rst
ixpk= 3082, nxpk= 20, iat= -1, 511, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 569, 570,
&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= 0.00, r2= 1.80, r3=11.64, r4=12.39,
igr1=2097,2098,2099,2101,2102,2103,2097,2098,2099,2101,
2102,2103,2075,2076,2077,
igr2=2149,2150,2149,2150,2149,2150,
&end
#
# 91 ASP HB- 91 ASP HA 3.50 (# 3117:20 Unique 2.34, 2.81 A)
&rst
ixpk= 3117, nxpk= 20, iat= -1,1526, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1528,1529,
&end
#
# 91 ASP HB+ 91 ASP HA 3.50 (# 3118:20 Unique 2.34, 2.81 A)
&rst
ixpk= 3118, nxpk= 20, iat= -1,1526, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1528,1529,
&end
#
# 90 LYS HA 91 ASP HA 5.50 (# 3119:20 Unique 4.29, 4.31 A)
&rst
ixpk= 3119, nxpk= 20, iat=1504,1526, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 92 PHE HA 91 ASP HA 5.50 (# 3120:20 Unique 4.36, 4.46 A)
&rst
ixpk= 3120, nxpk= 20, iat=1538,1526, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 72 LYS HG+ 69 PHE HA 5.50 (# 3126:20 Unique 2.00, 3.69 A)
&rst
ixpk= 3126, nxpk= 20, iat= -1,1151, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1209,1210,
&end
#
# 72 LYS HD- 69 PHE HA 5.50 (# 3127:20 Unique 2.29, 4.69 A)
&rst
ixpk= 3127, nxpk= 20, iat= -1,1151, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1212,1213,
&end
#
# 72 LYS HG- 69 PHE HA 6.50 (# 3128:20 Unique 2.00, 3.69 A)
&rst
ixpk= 3128, nxpk= 20, iat= -1,1151, r1= 0.00, r2= 1.80, r3= 7.30, r4= 8.05,
igr1=1209,1210,
&end
#
# 70 TYR HN 69 PHE HA 5.50 (# 3130:20 Unique 2.51, 3.23 A)
&rst
ixpk= 3130, nxpk= 20, iat=1169,1151, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 45 LEU MDX 42 SER HA 5.50 (# 3131:20 Unique 1.95, 4.55 A)
&rst
ixpk= 3131, nxpk= 20, iat= -1, 703, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 747, 748, 749, 751, 752, 753,
&end
#
# 0 AMB 20-2:3132 42 SER HA 4.50 (# 3132:20 Single Ambig)
&rst
ixpk= 3132, nxpk= 20, iat= -1, 703, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 747, 748, 749, 751, 752, 753,1237,1238,1239,
&end
#
# 45 LEU HB+ 42 SER HA 5.50 (# 3133:20 Unique 2.16, 3.18 A)
&rst
ixpk= 3133, nxpk= 20, iat= -1, 703, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 742, 743,
&end
#
# 42 SER HB+ 42 SER HA 4.50 (# 3134:20 Unique 2.24, 2.64 A)
&rst
ixpk= 3134, nxpk= 20, iat= -1, 703, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 705, 706,
&end
#
# 42 SER HB- 42 SER HA 4.50 (# 3135:20 Unique 2.24, 2.64 A)
&rst
ixpk= 3135, nxpk= 20, iat= -1, 703, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 705, 706,
&end
#
# 0 AMB 20-2:3136 55 THR HB 4.50 (# 3136:20 Single Ambig)
&rst
ixpk= 3136, nxpk= 20, iat= -1, 904, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 918, 919, 932, 933,
&end
#
# 24 PRO HB- 24 PRO HA 4.50 (# 3137:20 Unique 2.30, 2.51 A)
&rst
ixpk= 3137, nxpk= 20, iat= -1, 377, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 374, 375,
&end
#
# 0 AMB 20-2:3138 24 PRO HA 4.50 (# 3138:20 Single Ambig)
&rst
ixpk= 3138, nxpk= 20, iat= -1, 377, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 424, 425, 371, 372,
&end
#
# 24 PRO HD- 24 PRO HA 4.50 (# 3139:20 Unique 3.60, 3.85 A)
&rst
ixpk= 3139, nxpk= 20, iat= -1, 377, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 368, 369,
&end
#
# 24 PRO HD+ 24 PRO HA 4.50 (# 3140:20 Unique 3.60, 3.85 A)
&rst
ixpk= 3140, nxpk= 20, iat= -1, 377, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 368, 369,
&end
#
# 0 AMB 20-2:3153 0 AMB 20-1:3153 4.50 (# 3153:20 Double Ambig)
&rst
ixpk= 3153, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=2240,2204,
igr2=2216,2217,2216,2217,
&end
#
# 0 AMB 20-2:3155 0 AMB 20-1:3155 3.50 (# 3155:20 Double Ambig)
&rst
ixpk= 3155, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2299,2300,2301,2303,2304,2305, 159, 160, 161,2280,
2281,2282,2284,2285,2286,
igr2=2219,2220, 111, 112,
&end
#
# 68 LYS HG- 68 LYS HD+ 4.50 (# 3156:20 Unique 2.22, 2.71 A)
&rst
ixpk= 3156, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1134,1135,
igr2=1137,1138,
&end
#
# 0 AMB 20-2:3167 0 AMB 20-1:3167 4.50 (# 3167:20 Double Ambig)
&rst
ixpk= 3167, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1=2280,2281,2282,2284,2285,2286,2299,2300,2301,2303,
2304,2305,
igr2=2222,2223,2222,2223,
&end
#
# 119 SER HA 118 GLY HA- 5.50 (# 3185:20 Unique 4.30, 4.74 A)
&rst
ixpk= 3185, nxpk= 20, iat=1983, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1976,1977,
&end
#
# 0 AMB 20-2:3186 118 GLY HA- 5.50 (# 3186:20 Single Ambig)
&rst
ixpk= 3186, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1924,1994,
igr2=1976,1977,
&end
#
# 25 LEU MDY 48 PHE HA 4.50 (# 3188:20 Unique 2.49, 5.18 A #push)
&rst
ixpk= 3188, nxpk= 20, iat= -1, 795, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 390, 391, 392, 394, 395, 396,
&end
#
# 0 AMB 20-2:3192 0 AMB 20-1:3192 4.50 (# 3192:20 Double Ambig)
&rst
ixpk= 3192, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 849, 850, 259, 260, 893, 894, 837, 838,
igr2= 795, 188, 189,
&end
#
# 48 PHE HB+ 48 PHE HA 4.50 (# 3193:20 Unique 2.23, 2.68 A)
&rst
ixpk= 3193, nxpk= 20, iat= -1, 795, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 797, 798,
&end
#
# 48 PHE HB- 48 PHE HA 4.50 (# 3194:20 Unique 2.23, 2.68 A)
&rst
ixpk= 3194, nxpk= 20, iat= -1, 795, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 797, 798,
&end
#
# 25 LEU MDY 48 PHE HB- 5.50 (# 3196:20 Unique 1.97, 5.52 A)
&rst
ixpk= 3196, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 390, 391, 392, 394, 395, 396,
igr2= 797, 798,
&end
#
# 48 PHE HA 48 PHE HB- 5.50 (# 3197:20 Unique 2.23, 2.68 A)
&rst
ixpk= 3197, nxpk= 20, iat= 795, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 797, 798,
&end
#
# 48 PHE HA 48 PHE HB+ 5.50 (# 3198:20 Unique 2.23, 2.68 A)
&rst
ixpk= 3198, nxpk= 20, iat= 795, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 797, 798,
&end
#
# 25 LEU MDY 48 PHE HB+ 5.50 (# 3199:20 Unique 1.97, 5.52 A)
&rst
ixpk= 3199, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 390, 391, 392, 394, 395, 396,
igr2= 797, 798,
&end
#
# 22 LEU MDX 54 SER HA 4.50 (# 3200:20 Unique 4.25, 5.96 A)
&rst
ixpk= 3200, nxpk= 20, iat= -1, 891, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 340, 341, 342, 344, 345, 346,
&end
#
# 57 LEU MDX 54 SER HA 5.50 (# 3201:20 Unique 3.33, 6.14 A)
&rst
ixpk= 3201, nxpk= 20, iat= -1, 891, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 937, 938, 939, 941, 942, 943,
&end
#
# 0 AMB 20-2:3203 54 SER HA 4.50 (# 3203:20 Single Ambig)
&rst
ixpk= 3203, nxpk= 20, iat= -1, 891, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 871, 872, 935,
&end
#
# 54 SER HB+ 54 SER HA 4.50 (# 3204:20 Unique 2.27, 2.70 A)
&rst
ixpk= 3204, nxpk= 20, iat= -1, 891, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 893, 894,
&end
#
# 54 SER HB- 54 SER HA 4.50 (# 3205:20 Unique 2.27, 2.70 A)
&rst
ixpk= 3205, nxpk= 20, iat= -1, 891, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 893, 894,
&end
#
# 22 LEU MDX 54 SER HB- 5.50 (# 3206:20 Unique 1.96, 4.29 A)
&rst
ixpk= 3206, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 340, 341, 342, 344, 345, 346,
igr2= 893, 894,
&end
#
# 22 LEU MDX 54 SER HB+ 4.50 (# 3207:20 Unique 1.96, 4.29 A)
&rst
ixpk= 3207, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 340, 341, 342, 344, 345, 346,
igr2= 893, 894,
&end
#
# 54 SER HA 54 SER HB- 4.50 (# 3208:20 Unique 2.27, 2.70 A)
&rst
ixpk= 3208, nxpk= 20, iat= 891, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 893, 894,
&end
#
# 54 SER HA 54 SER HB+ 4.50 (# 3209:20 Unique 2.27, 2.70 A)
&rst
ixpk= 3209, nxpk= 20, iat= 891, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 893, 894,
&end
#
# 36 LYS HD+ 36 LYS HA 4.50 (# 3212:20 Unique 2.43, 3.80 A)
&rst
ixpk= 3212, nxpk= 20, iat= -1, 582, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 590, 591,
&end
#
# 36 LYS HG+ 36 LYS HA 4.50 (# 3213:20 Unique 2.23, 3.10 A)
&rst
ixpk= 3213, nxpk= 20, iat= -1, 582, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 587, 588,
&end
#
# 61 LEU MDY 14 LEU MDY 4.50 (# 3224:20 Unique 1.95, 5.22 A)
&rst
ixpk= 3224, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1023,1024,1025,1027,1028,1029,
igr2= 218, 219, 220, 222, 223, 224,
&end
#
# 57 LEU MDX 14 LEU MDY 6.50 (# 3225:20 Unique 1.92, 5.48 A)
&rst
ixpk= 3225, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.81, r4=12.56,
igr1= 937, 938, 939, 941, 942, 943,
igr2= 218, 219, 220, 222, 223, 224,
&end
#
# 61 LEU HB+ 14 LEU MDY 3.50 (# 3228:20 Unique 1.96, 4.53 A)
&rst
ixpk= 3228, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1018,1019,
igr2= 218, 219, 220, 222, 223, 224,
&end
#
# 0 AMB 20-2:3230 14 LEU MDY 3.50 (# 3230:20 Single Ambig)
&rst
ixpk= 3230, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1016, 167,
igr2= 218, 219, 220, 222, 223, 224,
&end
#
# 0 AMB 20-2:3233 0 AMB 20-1:3233 5.50 (# 3233:20 Double Ambig)
&rst
ixpk= 3233, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=2502,2503,1794,1795,
igr2=2500,1742,
&end
#
# 47 LYS HG- 47 LYS HB+ 4.50 (# 3242:20 Unique 2.21, 2.69 A)
&rst
ixpk= 3242, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 778, 779,
igr2= 775, 776,
&end
#
# 0 AMB 20-2:3243 0 AMB 20-1:3243 5.50 (# 3243:20 Double Ambig)
&rst
ixpk= 3243, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1261,1262,1278,1279,
igr2=1264,1265,1264,1265,
&end
#
# 0 AMB 20-2:3258 83 LEU HA 3.50 (# 3258:20 Single Ambig)
&rst
ixpk= 3258, nxpk= 20, iat= -1,1400, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1407,1408,1409,1411,1412,1413,1388,1389,1390,1392,
1393,1394,1665,1666,1667,1669,1670,1671,
&end
#
# 0 AMB 20-2:3259 83 LEU HA 3.50 (# 3259:20 Single Ambig)
&rst
ixpk= 3259, nxpk= 20, iat= -1,1400, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1407,1408,1409,1411,1412,1413,1447,1448,1449,1451,
1452,1453,
&end
#
# 0 AMB 20-2:3260 83 LEU HA 6.50 (# 3260:20 Single Ambig)
&rst
ixpk= 3260, nxpk= 20, iat= -1,1400, r1= 0.00, r2= 1.80, r3= 9.84, r4=10.59,
igr1= 980, 981, 982, 984, 985, 986,1603,1604,1605,1607,
1608,1609,
&end
#
# 0 AMB 20-2:3261 83 LEU HA 5.50 (# 3261:20 Single Ambig)
&rst
ixpk= 3261, nxpk= 20, iat= -1,1400, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1326,1327,1328,1330,1331,1332,2193,2194,
&end
#
# 0 AMB 20-2:3262 83 LEU HA 3.50 (# 3262:20 Single Ambig)
&rst
ixpk= 3262, nxpk= 20, iat= -1,1400, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1442,1443,1402,1403,
&end
#
# 83 LEU HG 83 LEU HA 4.50 (# 3263:20 Unique 2.54, 2.74 A)
&rst
ixpk= 3263, nxpk= 20, iat=1405,1400, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:3264 0 AMB 20-1:3264 5.50 (# 3264:20 Double Ambig)
&rst
ixpk= 3264, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=2273,1431,1432,1459,
igr2=2311,1400,
&end
#
# 83 LEU HA 83 LEU HB+ 4.50 (# 3265:20 Unique 2.46, 2.79 A)
&rst
ixpk= 3265, nxpk= 20, iat=1400, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1402,1403,
&end
#
# 83 LEU MDX 83 LEU HB+ 3.50 (# 3267:20 Unique 2.00, 3.25 A)
&rst
ixpk= 3267, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1407,1408,1409,1411,1412,1413,
igr2=1402,1403,
&end
#
# 0 AMB 20-2:3269 83 LEU HG 3.50 (# 3269:20 Single Ambig)
&rst
ixpk= 3269, nxpk= 20, iat= -1,1405, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1665,1666,1667,1669,1670,1671,1407,1408,1409,1411,
1412,1413,
&end
#
# 0 AMB 20-2:3275 83 LEU MDX 4.50 (# 3275:20 Single Ambig)
&rst
ixpk= 3275, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1=1326,1327,1328,1330,1331,1332,1343,1344,
igr2=1407,1408,1409,1411,1412,1413,
&end
#
# 83 LEU HB- 83 LEU MDX 3.50 (# 3276:20 Unique 2.00, 3.25 A)
&rst
ixpk= 3276, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1402,1403,
igr2=1407,1408,1409,1411,1412,1413,
&end
#
# 0 AMB 20-2:3277 83 LEU MDX 3.50 (# 3277:20 Single Ambig)
&rst
ixpk= 3277, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1402,1403,1442,1443,
igr2=1407,1408,1409,1411,1412,1413,
&end
#
# 83 LEU HG 83 LEU MDX 3.50 (# 3278:20 Unique 2.21, 2.63 A)
&rst
ixpk= 3278, nxpk= 20, iat=1405, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1407,1408,1409,1411,1412,1413,
&end
#
# 79 VAL HB 83 LEU MDX 4.50 (# 3280:20 Unique 2.36, 4.85 A)
&rst
ixpk= 3280, nxpk= 20, iat=1324, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1407,1408,1409,1411,1412,1413,
&end
#
# 79 VAL HA 83 LEU MDX 5.50 (# 3283:20 Unique 3.70, 6.01 A)
&rst
ixpk= 3283, nxpk= 20, iat=1322, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1407,1408,1409,1411,1412,1413,
&end
#
# 83 LEU HA 83 LEU MDX 4.50 (# 3285:20 Unique 1.99, 3.89 A)
&rst
ixpk= 3285, nxpk= 20, iat=1400, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1407,1408,1409,1411,1412,1413,
&end
#
# 82 LEU MDX 83 LEU MDY 5.50 (# 3286:20 Unique 2.27, 6.45 A)
&rst
ixpk= 3286, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=1388,1389,1390,1392,1393,1394,
igr2=1407,1408,1409,1411,1412,1413,
&end
#
# 82 LEU HG 83 LEU MDY 4.50 (# 3287:20 Unique 3.40, 5.01 A)
&rst
ixpk= 3287, nxpk= 20, iat=1386, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1407,1408,1409,1411,1412,1413,
&end
#
# 0 AMB 20-2:3288 83 LEU MDY 4.50 (# 3288:20 Single Ambig)
&rst
ixpk= 3288, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1=1326,1327,1328,1330,1331,1332,1343,1344,
igr2=1407,1408,1409,1411,1412,1413,
&end
#
# 83 LEU HB- 83 LEU MDY 3.50 (# 3289:20 Unique 2.00, 3.25 A)
&rst
ixpk= 3289, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1402,1403,
igr2=1407,1408,1409,1411,1412,1413,
&end
#
# 0 AMB 20-2:3290 83 LEU MDY 3.50 (# 3290:20 Single Ambig)
&rst
ixpk= 3290, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1402,1403,1442,1443,
igr2=1407,1408,1409,1411,1412,1413,
&end
#
# 83 LEU HG 83 LEU MDY 3.50 (# 3291:20 Unique 2.21, 2.63 A)
&rst
ixpk= 3291, nxpk= 20, iat=1405, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1407,1408,1409,1411,1412,1413,
&end
#
# 79 VAL HB 83 LEU MDY 4.50 (# 3293:20 Unique 2.36, 4.85 A)
&rst
ixpk= 3293, nxpk= 20, iat=1324, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1407,1408,1409,1411,1412,1413,
&end
#
# 79 VAL HA 83 LEU MDY 5.50 (# 3295:20 Unique 3.70, 6.01 A)
&rst
ixpk= 3295, nxpk= 20, iat=1322, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1407,1408,1409,1411,1412,1413,
&end
#
# 83 LEU HA 83 LEU MDY 3.50 (# 3297:20 Unique 1.99, 3.89 A)
&rst
ixpk= 3297, nxpk= 20, iat=1400, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1407,1408,1409,1411,1412,1413,
&end
#
# 76 LEU HA 83 LEU MDY 4.50 (# 3298:20 Unique 5.68, 8.20 A)
&rst
ixpk= 3298, nxpk= 20, iat=1276, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1407,1408,1409,1411,1412,1413,
&end
#
# 1 MET HG+ 1 MET ME 4.50 (# 3312:20 Unique 2.02, 3.38 A)
&rst
ixpk= 3312, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 11, 12,
igr2= 15, 16, 17,
&end
#
# 11 LEU HB- 8 ASP HA 4.50 (# 3315:20 Unique 2.90, 3.65 A)
&rst
ixpk= 3315, nxpk= 20, iat= -1, 122, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 169, 170,
&end
#
# 11 LEU HA 11 LEU HG 5.50 (# 3317:20 Unique 3.21, 3.56 A)
&rst
ixpk= 3317, nxpk= 20, iat= 167, 172, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:3318 13 THR HA 5.50 (# 3318:20 Single Ambig)
&rst
ixpk= 3318, nxpk= 20, iat= -1, 197, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 218, 219, 220, 222, 223, 224, 218, 219, 220, 222,
223, 224,
&end
#
# 12 SER HA 15 ARG HB- 5.50 (# 3320:20 Unique 2.73, 3.44 A)
&rst
ixpk= 3320, nxpk= 20, iat= 186, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 232, 233,
&end
#
# 24 PRO HA 24 PRO HB- 4.50 (# 3322:20 Unique 2.30, 2.51 A)
&rst
ixpk= 3322, nxpk= 20, iat= 377, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 374, 375,
&end
#
# 24 PRO HA 24 PRO HG- 4.50 (# 3323:20 Unique 3.85, 3.94 A)
&rst
ixpk= 3323, nxpk= 20, iat= 377, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 371, 372,
&end
#
# 24 PRO HA 24 PRO HG+ 4.50 (# 3324:20 Unique 3.85, 3.94 A)
&rst
ixpk= 3324, nxpk= 20, iat= 377, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 371, 372,
&end
#
# 28 GLN HG+ 25 LEU HA 5.50 (# 3325:20 Unique 3.18, 4.66 A)
&rst
ixpk= 3325, nxpk= 20, iat= -1, 383, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 442, 443,
&end
#
# 11 LEU MDX 26 PHE HA 5.50 (# 3326:20 Unique 4.64, 6.70 A)
&rst
ixpk= 3326, nxpk= 20, iat= -1, 402, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 174, 175, 176, 178, 179, 180,
&end
#
# 28 GLN HG+ 28 GLN HB- 4.50 (# 3327:20 Unique 2.21, 2.70 A)
&rst
ixpk= 3327, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 442, 443,
igr2= 439, 440,
&end
#
# 28 GLN HA 28 GLN HB- 5.50 (# 3328:20 Unique 2.26, 2.68 A)
&rst
ixpk= 3328, nxpk= 20, iat= 437, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 439, 440,
&end
#
# 0 AMB 20-2:3329 28 GLN HB- 5.50 (# 3329:20 Single Ambig)
&rst
ixpk= 3329, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 447, 448, 517, 525,
igr2= 439, 440,
&end
#
# 25 LEU HA 28 GLN HG+ 5.50 (# 3330:20 Unique 3.18, 4.66 A)
&rst
ixpk= 3330, nxpk= 20, iat= 383, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 442, 443,
&end
#
# 25 LEU HA 28 GLN HG- 5.50 (# 3331:20 Unique 3.18, 4.66 A)
&rst
ixpk= 3331, nxpk= 20, iat= 383, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 442, 443,
&end
#
# 25 LEU MDX 28 GLN HG+ 5.50 (# 3332:20 Unique 4.55, 7.74 A)
&rst
ixpk= 3332, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 390, 391, 392, 394, 395, 396,
igr2= 442, 443,
&end
#
# 25 LEU MDX 28 GLN HG- 5.50 (# 3333:20 Unique 4.55, 7.74 A)
&rst
ixpk= 3333, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 390, 391, 392, 394, 395, 396,
igr2= 442, 443,
&end
#
# 30 GLU HG+ 31 LYS HD+ 5.50 (# 3343:20 Unique 6.13, 7.23 A)
&rst
ixpk= 3343, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 479, 480,
igr2= 497, 498,
&end
#
# 37 LEU MDX 35 GLU HB+ 5.50 (# 3345:20 Unique 1.99, 4.70 A)
&rst
ixpk= 3345, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 611, 612, 613, 615, 616, 617,
igr2= 569, 570,
&end
#
# 37 LEU MDY 35 GLU HB+ 4.50 (# 3346:20 Unique 1.99, 4.70 A)
&rst
ixpk= 3346, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 611, 612, 613, 615, 616, 617,
igr2= 569, 570,
&end
#
# 35 GLU HA 35 GLU HB+ 4.50 (# 3348:20 Unique 2.37, 2.77 A)
&rst
ixpk= 3348, nxpk= 20, iat= 567, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 569, 570,
&end
#
# 36 LYS HD+ 36 LYS HG- 3.50 (# 3350:20 Unique 2.22, 2.67 A)
&rst
ixpk= 3350, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 590, 591,
igr2= 587, 588,
&end
#
# 36 LYS HE+ 36 LYS HG- 4.50 (# 3351:20 Unique 2.01, 3.06 A)
&rst
ixpk= 3351, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 593, 594,
igr2= 587, 588,
&end
#
# 36 LYS HG- 36 LYS HD+ 3.50 (# 3352:20 Unique 2.22, 2.67 A)
&rst
ixpk= 3352, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 587, 588,
igr2= 590, 591,
&end
#
# 37 LEU HA 37 LEU HB+ 4.50 (# 3353:20 Unique 2.25, 2.64 A)
&rst
ixpk= 3353, nxpk= 20, iat= 604, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 606, 607,
&end
#
# 41 LEU HB- 38 TRP HA 5.50 (# 3355:20 Unique 2.29, 3.32 A)
&rst
ixpk= 3355, nxpk= 20, iat= -1, 623, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 686, 687,
&end
#
# 38 TRP HZ3 38 TRP HA 6.50 (# 3356:20 Unique 4.19, 4.48 A)
&rst
ixpk= 3356, nxpk= 20, iat= 638, 623, r1= 0.00, r2= 1.80, r3= 6.50, r4= 7.25, &end
#
# 39 PHE HD 39 PHE HB- 4.50 (# 3357:20 Unique 2.29, 3.06 A)
&rst
ixpk= 3357, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 653, 661,
igr2= 649, 650,
&end
#
# 39 PHE HA 39 PHE HB- 3.50 (# 3358:20 Unique 2.38, 2.78 A)
&rst
ixpk= 3358, nxpk= 20, iat= 647, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 649, 650,
&end
#
# 37 LEU MDY 40 GLN HG- 4.50 (# 3359:20 Unique 2.01, 5.15 A)
&rst
ixpk= 3359, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 611, 612, 613, 615, 616, 617,
igr2= 672, 673,
&end
#
# 0 AMB 20-2:3360 41 LEU HB- 5.50 (# 3360:20 Single Ambig)
&rst
ixpk= 3360, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 640, 460, 468,
igr2= 686, 687,
&end
#
# 43 GLU HG+ 43 GLU HB- 3.50 (# 3362:20 Unique 2.22, 2.70 A)
&rst
ixpk= 3362, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 719, 720,
igr2= 716, 717,
&end
#
# 40 GLN HA 43 GLU HB- 5.50 (# 3363:20 Unique 2.92, 4.04 A)
&rst
ixpk= 3363, nxpk= 20, iat= 667, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 716, 717,
&end
#
# 0 AMB 20-2:3364 0 AMB 20-1:3364 5.50 (# 3364:20 Double Ambig)
&rst
ixpk= 3364, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 649, 650, 784, 785,
igr2= 719, 720, 719, 720,
&end
#
# 0 AMB 20-2:3365 0 AMB 20-1:3365 5.50 (# 3365:20 Double Ambig)
&rst
ixpk= 3365, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 763, 764, 765, 691, 692, 693, 695, 696, 697,
igr2= 719, 720, 719, 720,
&end
#
# 45 LEU MDY 45 LEU HB+ 5.50 (# 3366:20 Unique 1.99, 3.24 A)
&rst
ixpk= 3366, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 747, 748, 749, 751, 752, 753,
igr2= 742, 743,
&end
#
# 53 LYS HA 53 LYS HB+ 4.50 (# 3367:20 Unique 2.35, 2.81 A)
&rst
ixpk= 3367, nxpk= 20, iat= 869, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 871, 872,
&end
#
# 53 LYS HA 53 LYS HB- 4.50 (# 3368:20 Unique 2.35, 2.81 A)
&rst
ixpk= 3368, nxpk= 20, iat= 869, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 871, 872,
&end
#
# 0 AMB 20-2:3369 0 AMB 20-1:3369 3.50 (# 3369:20 Double Ambig)
&rst
ixpk= 3369, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 918, 919, 932, 933,
igr2= 921, 922, 921, 922,
&end
#
# 58 ARG HB- 58 ARG HA 4.50 (# 3370:20 Unique 2.24, 2.77 A)
&rst
ixpk= 3370, nxpk= 20, iat= -1, 949, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 951, 952,
&end
#
# 0 AMB 20-2:3372 0 AMB 20-1:3372 5.50 (# 3372:20 Double Ambig)
&rst
ixpk= 3372, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 957, 958,1140,1141,
igr2= 954, 955, 111, 112,
&end
#
# 0 AMB 20-2:3373 60 ARG HD- 4.50 (# 3373:20 Single Ambig)
&rst
ixpk= 3373, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 218, 219, 220, 222, 223, 224, 218, 219, 220, 222,
223, 224,
igr2=1000,1001,
&end
#
# 0 AMB 20-2:3374 0 AMB 20-1:3374 4.50 (# 3374:20 Double Ambig)
&rst
ixpk= 3374, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1= 218, 219, 220, 222, 223, 224, 218, 219, 220, 222,
223, 224,
igr2=1000,1001,1000,1001,
&end
#
# 0 AMB 20-2:3375 60 ARG HD- 3.50 (# 3375:20 Single Ambig)
&rst
ixpk= 3375, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 994, 995, 997, 998,
igr2=1000,1001,
&end
#
# 60 ARG HA 60 ARG HD- 5.50 (# 3376:20 Unique 2.03, 3.82 A)
&rst
ixpk= 3376, nxpk= 20, iat= 992, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1000,1001,
&end
#
# 60 ARG HD+ 60 ARG HG+ 4.50 (# 3377:20 Unique 2.22, 2.68 A)
&rst
ixpk= 3377, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1000,1001,
igr2= 997, 998,
&end
#
# 60 ARG HD- 60 ARG HG+ 4.50 (# 3378:20 Unique 2.22, 2.68 A)
&rst
ixpk= 3378, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1000,1001,
igr2= 997, 998,
&end
#
# 61 LEU HA 61 LEU HG 4.50 (# 3379:20 Unique 2.17, 3.09 A)
&rst
ixpk= 3379, nxpk= 20, iat=1016,1021, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 68 LYS HB+ 68 LYS HG+ 3.50 (# 3384:20 Unique 2.21, 2.68 A)
&rst
ixpk= 3384, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1131,1132,
igr2=1134,1135,
&end
#
# 68 LYS HB+ 68 LYS HG- 3.50 (# 3385:20 Unique 2.21, 2.68 A)
&rst
ixpk= 3385, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1131,1132,
igr2=1134,1135,
&end
#
# 0 AMB 20-2:3386 0 AMB 20-1:3386 3.50 (# 3386:20 Double Ambig)
&rst
ixpk= 3386, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 114, 115, 116,1407,1408,1409,1411,1412,1413,1283,
1284,1285,1287,1288,1289,
igr2=1140,1141,1349,1350,1349,1350,
&end
#
# 72 LYS HG- 72 LYS HE+ 4.50 (# 3393:20 Unique 1.99, 3.08 A)
&rst
ixpk= 3393, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1209,1210,
igr2=1215,1216,
&end
#
# 72 LYS HG- 72 LYS HE- 4.50 (# 3394:20 Unique 1.99, 3.08 A)
&rst
ixpk= 3394, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1209,1210,
igr2=1215,1216,
&end
#
# 72 LYS HD- 72 LYS HE- 3.50 (# 3395:20 Unique 2.22, 2.68 A)
&rst
ixpk= 3395, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1212,1213,
igr2=1215,1216,
&end
#
# 72 LYS HD- 72 LYS HE+ 3.50 (# 3396:20 Unique 2.22, 2.68 A)
&rst
ixpk= 3396, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1212,1213,
igr2=1215,1216,
&end
#
# 72 LYS HD+ 72 LYS HE- 3.50 (# 3397:20 Unique 2.22, 2.68 A)
&rst
ixpk= 3397, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1212,1213,
igr2=1215,1216,
&end
#
# 72 LYS HD+ 72 LYS HE+ 3.50 (# 3398:20 Unique 2.22, 2.68 A)
&rst
ixpk= 3398, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1212,1213,
igr2=1215,1216,
&end
#
# 72 LYS HB+ 72 LYS HE- 4.50 (# 3399:20 Unique 2.19, 4.41 A)
&rst
ixpk= 3399, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1206,1207,
igr2=1215,1216,
&end
#
# 72 LYS HA 72 LYS HB+ 5.50 (# 3400:20 Unique 2.33, 2.77 A)
&rst
ixpk= 3400, nxpk= 20, iat=1204, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1206,1207,
&end
#
# 72 LYS HA 72 LYS HB- 5.50 (# 3401:20 Unique 2.33, 2.77 A)
&rst
ixpk= 3401, nxpk= 20, iat=1204, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1206,1207,
&end
#
# 72 LYS HD- 72 LYS HG+ 4.50 (# 3402:20 Unique 2.22, 2.69 A)
&rst
ixpk= 3402, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1212,1213,
igr2=1209,1210,
&end
#
# 72 LYS HA 72 LYS HG- 4.50 (# 3403:20 Unique 2.20, 3.22 A)
&rst
ixpk= 3403, nxpk= 20, iat=1204, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1209,1210,
&end
#
# 73 ILE QG2 74 ASN HA 5.50 (# 3404:20 Unique 6.00, 6.53 A)
&rst
ixpk= 3404, nxpk= 20, iat= -1,1245, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1230,1231,1232,
&end
#
# 0 AMB 20-2:3405 0 AMB 20-1:3405 4.50 (# 3405:20 Double Ambig)
&rst
ixpk= 3405, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1349,1350,1140,1141,
igr2=1340,1341,1131,1132,
&end
#
# 0 AMB 20-2:3406 80 LYS HB- 4.50 (# 3406:20 Single Ambig)
&rst
ixpk= 3406, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1338,1360,
igr2=1340,1341,
&end
#
# 80 LYS HE+ 80 LYS HG+ 4.50 (# 3407:20 Unique 2.09, 3.05 A)
&rst
ixpk= 3407, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1349,1350,
igr2=1343,1344,
&end
#
# 0 AMB 20-2:3409 0 AMB 20-1:3409 3.50 (# 3409:20 Double Ambig)
&rst
ixpk= 3409, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1326,1327,1328,1330,1331,1332,1343,1344,1725,1726,
igr2=2136,2137,1346,1347,1728,1729,
&end
#
# 0 AMB 20-2:3415 0 AMB 20-1:3415 3.50 (# 3415:20 Double Ambig)
&rst
ixpk= 3415, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1431,1432,1854,1855,
igr2=1429,1852,
&end
#
# 0 AMB 20-2:3416 0 AMB 20-1:3416 2.80 (# 3416:20 Double Ambig)
&rst
ixpk= 3416, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1429,1852,
igr2=1431,1432,1854,1855,
&end
#
# 87 LYS HB- 87 LYS HA 3.50 (# 3419:20 Unique 2.27, 2.66 A)
&rst
ixpk= 3419, nxpk= 20, iat= -1,1459, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1461,1462,
&end
#
# 87 LYS HE+ 87 LYS HB+ 4.50 (# 3420:20 Unique 2.02, 4.12 A)
&rst
ixpk= 3420, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1470,1471,
igr2=1461,1462,
&end
#
# 0 AMB 20-2:3421 90 LYS HA 5.50 (# 3421:20 Single Ambig)
&rst
ixpk= 3421, nxpk= 20, iat= -1,1504, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1470,1471,1515,1516,1540,1541,
&end
#
# 90 LYS HE+ 90 LYS HB- 4.50 (# 3422:20 Unique 2.60, 4.06 A)
&rst
ixpk= 3422, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1515,1516,
igr2=1506,1507,
&end
#
# 0 AMB 20-2:3423 92 PHE HA 4.50 (# 3423:20 Single Ambig)
&rst
ixpk= 3423, nxpk= 20, iat= -1,1538, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1470,1471,1540,1541,
&end
#
# 96 LEU HB- 93 ASP HA 4.50 (# 3424:20 Unique 2.53, 3.88 A)
&rst
ixpk= 3424, nxpk= 20, iat= -1,1558, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1598,1599,
&end
#
# 93 ASP HA 93 ASP HB+ 4.50 (# 3425:20 Unique 2.33, 2.75 A)
&rst
ixpk= 3425, nxpk= 20, iat=1558, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1560,1561,
&end
#
# 97 LYS HE+ 97 LYS HG+ 4.50 (# 3426:20 Unique 2.12, 3.01 A)
&rst
ixpk= 3426, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1626,1627,
igr2=1620,1621,
&end
#
# 103 LYS HA 103 LYS HB- 5.50 (# 3427:20 Unique 2.27, 2.71 A)
&rst
ixpk= 3427, nxpk= 20, iat=1720, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1722,1723,
&end
#
# 103 LYS HG- 103 LYS HB- 5.50 (# 3429:20 Unique 2.23, 2.67 A)
&rst
ixpk= 3429, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1725,1726,
igr2=1722,1723,
&end
#
# 0 AMB 20-2:3430 0 AMB 20-1:3430 5.50 (# 3430:20 Double Ambig)
&rst
ixpk= 3430, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1720,1120,1121,
igr2=1725,1726,1134,1135,
&end
#
# 103 LYS HB- 103 LYS HG- 5.50 (# 3431:20 Unique 2.23, 2.67 A)
&rst
ixpk= 3431, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1722,1723,
igr2=1725,1726,
&end
#
# 103 LYS HB- 103 LYS HD+ 4.50 (# 3432:20 Unique 1.98, 3.01 A)
&rst
ixpk= 3432, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1722,1723,
igr2=1728,1729,
&end
#
# 103 LYS HE+ 103 LYS HD+ 3.50 (# 3433:20 Unique 2.22, 2.66 A)
&rst
ixpk= 3433, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1731,1732,
igr2=1728,1729,
&end
#
# 103 LYS HA 103 LYS HD+ 5.50 (# 3434:20 Unique 2.00, 4.05 A)
&rst
ixpk= 3434, nxpk= 20, iat=1720, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1728,1729,
&end
#
# 105 GLN HA 105 GLN HB+ 5.50 (# 3435:20 Unique 2.48, 2.82 A)
&rst
ixpk= 3435, nxpk= 20, iat=1752, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1754,1755,
&end
#
# 105 GLN HA 105 GLN HB- 4.50 (# 3436:20 Unique 2.48, 2.82 A)
&rst
ixpk= 3436, nxpk= 20, iat=1752, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1754,1755,
&end
#
# 109 LEU HB- 109 LEU HG 4.50 (# 3438:20 Unique 2.27, 2.77 A)
&rst
ixpk= 3438, nxpk= 20, iat= -1,1826, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1823,1824,
&end
#
# 109 LEU HB+ 109 LEU HG 4.50 (# 3439:20 Unique 2.27, 2.77 A)
&rst
ixpk= 3439, nxpk= 20, iat= -1,1826, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1823,1824,
&end
#
# 0 AMB 20-2:3440 109 LEU HG 4.50 (# 3440:20 Single Ambig)
&rst
ixpk= 3440, nxpk= 20, iat= -1,1826, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1821,1752,1789,
&end
#
# 112 LYS HB- 112 LYS HA 3.50 (# 3441:20 Unique 2.39, 2.77 A)
&rst
ixpk= 3441, nxpk= 20, iat= -1,1863, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1865,1866,
&end
#
# 112 LYS HA 112 LYS HB- 3.50 (# 3442:20 Unique 2.39, 2.77 A)
&rst
ixpk= 3442, nxpk= 20, iat=1863, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1865,1866,
&end
#
# 0 AMB 20-2:3444 0 AMB 20-1:3444 3.50 (# 3444:20 Double Ambig)
&rst
ixpk= 3444, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=2092,2093,1512,1513,
igr2=2090,1493,
&end
#
# 122 HIS HA 122 HIS HB- 5.50 (# 3450:20 Unique 2.37, 2.77 A)
&rst
ixpk= 3450, nxpk= 20, iat=2028, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2030,2031,
&end
#
# 81 TYR HE 81 TYR HA 5.50 (# 3453:20 Unique 4.38, 5.55 A)
&rst
ixpk= 3453, nxpk= 20, iat= -1,1360, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1368,1373,
&end
#
# 81 TYR HD 81 TYR HA 4.50 (# 3454:20 Unique 1.98, 3.56 A)
&rst
ixpk= 3454, nxpk= 20, iat= -1,1360, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1366,1375,
&end
#
# 81 TYR HB- 81 TYR HA 5.50 (# 3456:20 Unique 2.23, 2.67 A)
&rst
ixpk= 3456, nxpk= 20, iat= -1,1360, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1362,1363,
&end
#
# 81 TYR HB+ 81 TYR HA 4.50 (# 3457:20 Unique 2.23, 2.67 A)
&rst
ixpk= 3457, nxpk= 20, iat= -1,1360, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1362,1363,
&end
#
# 84 ALA MB 81 TYR HA 4.50 (# 3458:20 Unique 2.32, 3.65 A)
&rst
ixpk= 3458, nxpk= 20, iat= -1,1360, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1421,1422,1423,
&end
#
# 81 TYR HA 81 TYR HB- 5.50 (# 3459:20 Unique 2.23, 2.67 A)
&rst
ixpk= 3459, nxpk= 20, iat=1360, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1362,1363,
&end
#
# 81 TYR HA 81 TYR HB+ 5.50 (# 3460:20 Unique 2.23, 2.67 A)
&rst
ixpk= 3460, nxpk= 20, iat=1360, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1362,1363,
&end
#
# 81 TYR HD 81 TYR HB- 5.50 (# 3461:20 Unique 2.30, 3.06 A)
&rst
ixpk= 3461, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1366,1375,
igr2=1362,1363,
&end
#
# 81 TYR HD 81 TYR HB+ 5.50 (# 3462:20 Unique 2.30, 3.06 A)
&rst
ixpk= 3462, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1366,1375,
igr2=1362,1363,
&end
#
# 82 LEU MDX 82 LEU HB- 5.50 (# 3465:20 Unique 2.02, 3.25 A)
&rst
ixpk= 3465, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1388,1389,1390,1392,1393,1394,
igr2=1383,1384,
&end
#
# 82 LEU MDX 82 LEU HG 5.50 (# 3468:20 Unique 2.22, 2.63 A)
&rst
ixpk= 3468, nxpk= 20, iat= -1,1386, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1388,1389,1390,1392,1393,1394,
&end
#
# 98 TYR HA 82 LEU MDY 6.50 (# 3474:20 Unique 4.68, 6.39 A)
&rst
ixpk= 3474, nxpk= 20, iat=1637, -1, r1= 0.00, r2= 1.80, r3= 8.76, r4= 9.51,
igr2=1388,1389,1390,1392,1393,1394,
&end
#
# 98 TYR HB- 82 LEU MDY 5.50 (# 3477:20 Unique 2.23, 4.63 A)
&rst
ixpk= 3477, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1639,1640,
igr2=1388,1389,1390,1392,1393,1394,
&end
#
# 79 VAL HA 82 LEU MDY 4.50 (# 3478:20 Unique 1.98, 4.18 A)
&rst
ixpk= 3478, nxpk= 20, iat=1322, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1388,1389,1390,1392,1393,1394,
&end
#
# 102 LEU MDX 82 LEU MDY 5.50 (# 3480:20 Unique 1.99, 5.39 A)
&rst
ixpk= 3480, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=1708,1709,1710,1712,1713,1714,
igr2=1388,1389,1390,1392,1393,1394,
&end
#
# 0 AMB 20-2:3482 0 AMB 20-1:3482 3.50 (# 3482:20 Double Ambig)
&rst
ixpk= 3482, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.85, r4= 7.60,
igr1=1447,1448,1449,1451,1452,1453,1407,1408,1409,1411,
1412,1413,2136,2137,
igr2=1442,1443,1660,1661,
&end
#
# 83 LEU HA 86 LEU HB- 5.50 (# 3483:20 Unique 2.14, 3.11 A)
&rst
ixpk= 3483, nxpk= 20, iat=1400, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1442,1443,
&end
#
# 0 AMB 20-2:3488 0 AMB 20-1:3488 3.50 (# 3488:20 Double Ambig)
&rst
ixpk= 3488, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=2299,2300,2301,2303,2304,2305,1326,1327,1328,1330,
1331,1332,2116,2117,2118,2120,2121,2122,
igr2=2292,1276,
&end
#
# 76 LEU HB+ 76 LEU HA 3.50 (# 3489:20 Unique 2.32, 2.71 A)
&rst
ixpk= 3489, nxpk= 20, iat= -1,1276, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1278,1279,
&end
#
# 76 LEU HB- 76 LEU HA 4.50 (# 3490:20 Unique 2.32, 2.71 A)
&rst
ixpk= 3490, nxpk= 20, iat= -1,1276, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1278,1279,
&end
#
# 0 AMB 20-2:3502 0 AMB 20-1:3502 4.50 (# 3502:20 Double Ambig)
&rst
ixpk= 3502, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=2322,2323,2636,2637,
igr2=2313,2314,2627,2628,
&end
#
# 113 LYS HE+ 114 GLN HB+ 5.50 (# 3504:20 Unique 2.88, 6.43 A)
&rst
ixpk= 3504, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1896,1897,
igr2=1909,1910,
&end
#
# 86 LEU MDX 95 SER HB- 5.50 (# 3506:20 Unique 2.91, 5.96 A)
&rst
ixpk= 3506, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1447,1448,1449,1451,1452,1453,
igr2=1587,1588,
&end
#
# 95 SER HA 95 SER HB- 3.50 (# 3507:20 Unique 2.33, 2.75 A)
&rst
ixpk= 3507, nxpk= 20, iat=1585, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1587,1588,
&end
#
# 110 ASP HA 113 LYS HG+ 5.50 (# 3508:20 Unique 2.54, 5.84 A)
&rst
ixpk= 3508, nxpk= 20, iat=1840, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1890,1891,
&end
#
# 0 AMB 20-2:3529 0 AMB 20-1:3529 5.50 (# 3529:20 Double Ambig)
&rst
ixpk= 3529, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=12.21, r4=12.96,
igr1=2139,2140,2141,1407,1408,1409,1411,1412,1413,1708,
1709,1710,1712,1713,1714,
igr2=1728,1729,2136,2137,1346,1347,1728,1729,
&end
#
# 0 AMB 20-2:3543 0 AMB 20-1:3543 5.50 (# 3543:20 Double Ambig)
&rst
ixpk= 3543, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=2313,2314,2361,2362,
igr2=2335,2336,2335,2336,
&end
#
# 117 ASN HA 117 ASN HB- 3.50 (# 3551:20 Unique 2.36, 2.76 A)
&rst
ixpk= 3551, nxpk= 20, iat=1962, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1964,1965,
&end
#
# 117 ASN HB- 117 ASN HA 3.50 (# 3552:20 Unique 2.36, 2.76 A)
&rst
ixpk= 3552, nxpk= 20, iat= -1,1962, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1964,1965,
&end
#
# 0 AMB 20-2:3553 117 ASN HA 5.50 (# 3553:20 Single Ambig)
&rst
ixpk= 3553, nxpk= 20, iat= -1,1962, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1926,1927,1996,1997,
&end
#
# 119 SER HB- 117 ASN HA 5.50 (# 3555:20 Unique 4.24, 5.87 A)
&rst
ixpk= 3555, nxpk= 20, iat= -1,1962, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1985,1986,
&end
#
# 0 AMB 20-2:3556 117 ASN HA 6.50 (# 3556:20 Single Ambig)
&rst
ixpk= 3556, nxpk= 20, iat= -1,1962, r1= 0.00, r2= 1.80, r3= 7.30, r4= 8.05,
igr1=1994,1924,
&end
#
# 0 AMB 20-2:3559 96 LEU MDY 3.50 (# 3559:20 Single Ambig)
&rst
ixpk= 3559, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1601,2313,2314,
igr2=1603,1604,1605,1607,1608,1609,
&end
#
# 0 AMB 20-2:3560 96 LEU MDY 3.50 (# 3560:20 Single Ambig)
&rst
ixpk= 3560, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1598,1599,2193,2194,
igr2=1603,1604,1605,1607,1608,1609,
&end
#
# 93 ASP HB+ 96 LEU MDY 5.50 (# 3561:20 Unique 3.34, 6.71 A)
&rst
ixpk= 3561, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1560,1561,
igr2=1603,1604,1605,1607,1608,1609,
&end
#
# 0 AMB 20-2:3562 96 LEU MDY 5.50 (# 3562:20 Single Ambig)
&rst
ixpk= 3562, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1679,1680,1560,1561,
igr2=1603,1604,1605,1607,1608,1609,
&end
#
# 96 LEU HA 96 LEU MDY 4.50 (# 3564:20 Unique 2.01, 3.75 A)
&rst
ixpk= 3564, nxpk= 20, iat=1596, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1603,1604,1605,1607,1608,1609,
&end
#
# 0 AMB 20-2:3565 96 LEU MDY 5.50 (# 3565:20 Single Ambig)
&rst
ixpk= 3565, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2252,1615,
igr2=1603,1604,1605,1607,1608,1609,
&end
#
# 93 ASP HA 96 LEU MDY 4.50 (# 3566:20 Unique 1.99, 4.38 A)
&rst
ixpk= 3566, nxpk= 20, iat=1558, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1603,1604,1605,1607,1608,1609,
&end
#
# 76 LEU MDY 76 LEU HA 3.50 (# 3583:20 Unique 2.23, 4.22 A)
&rst
ixpk= 3583, nxpk= 20, iat= -1,1276, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1283,1284,1285,1287,1288,1289,
&end
#
# 79 VAL MGX 76 LEU HA 4.50 (# 3584:20 Unique 2.11, 3.58 A)
&rst
ixpk= 3584, nxpk= 20, iat= -1,1276, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1326,1327,1328,1330,1331,1332,
&end
#
# 76 LEU HG 76 LEU HA 4.50 (# 3585:20 Unique 2.39, 2.75 A)
&rst
ixpk= 3585, nxpk= 20, iat=1281,1276, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:3586 76 LEU HA 4.50 (# 3586:20 Single Ambig)
&rst
ixpk= 3586, nxpk= 20, iat= -1,1276, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1264,1265,1324,
&end
#
# 76 LEU MDY 76 LEU HB+ 3.50 (# 3588:20 Unique 2.00, 3.22 A)
&rst
ixpk= 3588, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1283,1284,1285,1287,1288,1289,
igr2=1278,1279,
&end
#
# 76 LEU MDX 76 LEU HB+ 3.50 (# 3589:20 Unique 2.00, 3.22 A)
&rst
ixpk= 3589, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1283,1284,1285,1287,1288,1289,
igr2=1278,1279,
&end
#
# 76 LEU HG 76 LEU HB- 4.50 (# 3590:20 Unique 2.44, 2.82 A)
&rst
ixpk= 3590, nxpk= 20, iat=1281, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1278,1279,
&end
#
# 76 LEU HG 76 LEU HB+ 4.50 (# 3591:20 Unique 2.44, 2.82 A)
&rst
ixpk= 3591, nxpk= 20, iat=1281, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1278,1279,
&end
#
# 76 LEU HA 76 LEU HB- 4.50 (# 3592:20 Unique 2.32, 2.71 A)
&rst
ixpk= 3592, nxpk= 20, iat=1276, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1278,1279,
&end
#
# 76 LEU HA 76 LEU HB+ 4.50 (# 3593:20 Unique 2.32, 2.71 A)
&rst
ixpk= 3593, nxpk= 20, iat=1276, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1278,1279,
&end
#
# 0 AMB 20-2:3594 0 AMB 20-1:3594 3.50 (# 3594:20 Double Ambig)
&rst
ixpk= 3594, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1283,1284,1285,1287,1288,1289, 340, 341, 342, 344,
345, 346,
igr2=1281, 338,
&end
#
# 0 AMB 20-2:3595 0 AMB 20-1:3595 4.50 (# 3595:20 Double Ambig)
&rst
ixpk= 3595, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1276,1976,1977,
igr2=1281,1929,1930,
&end
#
# 76 LEU HA 76 LEU MDY 3.50 (# 3599:20 Unique 2.23, 4.22 A)
&rst
ixpk= 3599, nxpk= 20, iat=1276, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1283,1284,1285,1287,1288,1289,
&end
#
# 0 AMB 20-2:3600 0 AMB 20-1:3600 4.50 (# 3600:20 Double Ambig)
&rst
ixpk= 3600, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1=2109, 705, 706,2090,
igr2=1283,1284,1285,1287,1288,1289, 611, 612, 613, 615,
616, 617,
&end
#
# 0 AMB 20-2:3602 0 AMB 20-1:3602 4.50 (# 3602:20 Double Ambig)
&rst
ixpk= 3602, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1=2149,2150,1626,1627,
igr2=2097,2098,2099,2101,2102,2103,2366,2367,2368,2370,
2371,2372,
&end
#
# 68 LYS HA 68 LYS HD- 4.50 (# 3607:20 Unique 3.58, 4.37 A)
&rst
ixpk= 3607, nxpk= 20, iat=1129, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1137,1138,
&end
#
# 68 LYS HE+ 68 LYS HD- 3.50 (# 3608:20 Unique 2.22, 2.67 A)
&rst
ixpk= 3608, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1140,1141,
igr2=1137,1138,
&end
#
# 50 ASP HB- 47 LYS HA 4.50 (# 3611:20 Unique 1.99, 3.83 A)
&rst
ixpk= 3611, nxpk= 20, iat= -1, 773, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 837, 838,
&end
#
# 24 PRO HD- 23 HIS HB- 5.50 (# 3612:20 Unique 1.98, 2.65 A)
&rst
ixpk= 3612, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 368, 369,
igr2= 354, 355,
&end
#
# 72 LYS HB- 38 TRP HD1 5.50 (# 0:65 Unique 2.99, 4.98 A)
&rst
ixpk= 0, nxpk= 65, iat= -1, 629, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
igr1=1206,1207,
&end
#
# 36 LYS HG- 38 TRP HD1 4.50 (# 1:65 Unique 2.73, 4.90 A)
&rst
ixpk= 1, nxpk= 65, iat= -1, 629, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 587, 588,
&end
#
# 73 ILE HG1+ 38 TRP HD1 6.50 (# 2:65 Unique 7.32, 8.14 A)
&rst
ixpk= 2, nxpk= 65, iat= -1, 629, r1= 0.00, r2= 1.80, r3= 7.30, r4= 8.05,
igr1=1234,1235,
&end
#
# 38 TRP HB+ 38 TRP HD1 4.50 (# 3:65 Unique 2.55, 3.06 A)
&rst
ixpk= 3, nxpk= 65, iat= -1, 629, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 625, 626,
&end
#
# 38 TRP HB- 38 TRP HD1 5.50 (# 4:65 Unique 2.55, 3.06 A)
&rst
ixpk= 4, nxpk= 65, iat= -1, 629, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 625, 626,
&end
#
# 38 TRP HA 38 TRP HD1 5.50 (# 5:65 Unique 4.22, 4.68 A)
&rst
ixpk= 5, nxpk= 65, iat= 623, 629, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 38 TRP HN 38 TRP HD1 6.50 (# 6:65 Unique 2.51, 4.06 A)
&rst
ixpk= 6, nxpk= 65, iat= 621, 629, r1= 0.00, r2= 1.80, r3= 6.50, r4= 7.25, &end
#
# 36 LYS HD+ 38 TRP HZ2 4.50 (# 10:65 Unique 2.36, 4.40 A)
&rst
ixpk= 10, nxpk= 65, iat= -1, 634, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 590, 591,
&end
#
# 38 TRP HZ3 38 TRP HH2 3.50 (# 11:65 Unique 2.44, 2.44 A)
&rst
ixpk= 11, nxpk= 65, iat= 638, 636, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 41 LEU MDY 38 TRP HZ3 5.50 (# 13:65 Unique 2.93, 4.83 A)
&rst
ixpk= 13, nxpk= 65, iat= -1, 638, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 691, 692, 693, 695, 696, 697,
&end
#
# 38 TRP HE3 38 TRP HZ3 4.50 (# 15:65 Unique 2.46, 2.46 A)
&rst
ixpk= 15, nxpk= 65, iat= 640, 638, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 41 LEU MDY 38 TRP HE3 4.50 (# 16:65 Unique 1.97, 4.13 A)
&rst
ixpk= 16, nxpk= 65, iat= -1, 640, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 691, 692, 693, 695, 696, 697,
&end
#
# 41 LEU MDX 38 TRP HE3 5.50 (# 17:65 Unique 1.97, 4.13 A)
&rst
ixpk= 17, nxpk= 65, iat= -1, 640, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 691, 692, 693, 695, 696, 697,
&end
#
# 38 TRP HA 38 TRP HE3 4.50 (# 18:65 Unique 1.82, 2.17 A)
&rst
ixpk= 18, nxpk= 65, iat= 623, 640, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 38 TRP HZ3 38 TRP HE3 4.50 (# 19:65 Unique 2.46, 2.46 A)
&rst
ixpk= 19, nxpk= 65, iat= 638, 640, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 5 HIS HB- 5 HIS HD2 4.50 (# 20:65 Unique 2.69, 3.33 A)
&rst
ixpk= 20, nxpk= 65, iat= -1, 82, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 73, 74,
&end
#
# 5 HIS HB+ 5 HIS HD2 4.50 (# 21:65 Unique 2.69, 3.33 A)
&rst
ixpk= 21, nxpk= 65, iat= -1, 82, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 73, 74,
&end
#
# 5 HIS HA 5 HIS HD2 5.50 (# 22:65 Unique 2.21, 3.64 A)
&rst
ixpk= 22, nxpk= 65, iat= 71, 82, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 2 PHE HB+ 2 PHE HD 3.50 (# 29:65 Unique 2.28, 3.04 A)
&rst
ixpk= 29, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 25, 26,
igr2= 29, 37,
&end
#
# 2 PHE HB- 2 PHE HD 4.50 (# 30:65 Unique 2.28, 3.04 A)
&rst
ixpk= 30, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 25, 26,
igr2= 29, 37,
&end
#
# 0 AMB 65-2:31 2 PHE HD 4.50 (# 31:65 Single Ambig)
&rst
ixpk= 31, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 23, 43,
igr2= 29, 37,
&end
#
# 34 GLU HN 33 TYR HD 5.50 (# 32:65 Unique 2.83, 4.48 A)
&rst
ixpk= 32, nxpk= 65, iat= 550, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 537, 546,
&end
#
# 33 TYR HN 33 TYR HD 5.50 (# 33:65 Unique 3.64, 4.66 A)
&rst
ixpk= 33, nxpk= 65, iat= 529, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 537, 546,
&end
#
# 0 AMB 65-2:34 33 TYR HD 4.50 (# 34:65 Single Ambig)
&rst
ixpk= 34, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 531, 552,
igr2= 537, 546,
&end
#
# 0 AMB 65-2:35 33 TYR HD 4.50 (# 35:65 Single Ambig)
&rst
ixpk= 35, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 533, 534, 25, 26,
igr2= 537, 546,
&end
#
# 33 TYR HB- 33 TYR HD 4.50 (# 36:65 Unique 2.30, 3.05 A)
&rst
ixpk= 36, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 533, 534,
igr2= 537, 546,
&end
#
# 41 LEU MDY 33 TYR HD 4.50 (# 38:65 Unique 1.98, 5.04 A)
&rst
ixpk= 38, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 691, 692, 693, 695, 696, 697,
igr2= 537, 546,
&end
#
# 7 ILE QG2 33 TYR HD 5.50 (# 39:65 Unique 2.88, 6.02 A)
&rst
ixpk= 39, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 107, 108, 109,
igr2= 537, 546,
&end
#
# 0 AMB 65-2:41 33 TYR HE 5.50 (# 41:65 Single Ambig)
&rst
ixpk= 41, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 552, 531,
igr2= 539, 544,
&end
#
# 7 ILE QG2 33 TYR HE 4.50 (# 44:65 Unique 1.99, 5.29 A)
&rst
ixpk= 44, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 107, 108, 109,
igr2= 539, 544,
&end
#
# 62 TYR HB+ 62 TYR HD 6.50 (# 50:65 Unique 2.33, 3.05 A)
&rst
ixpk= 50, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.19, r4= 8.94,
igr1=1037,1038,
igr2=1041,1050,
&end
#
# 70 TYR HE 70 TYR HD 2.80 (# 52:65 Unique 2.46, 3.69 A)
&rst
ixpk= 52, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1179,1184,
igr2=1177,1186,
&end
#
# 71 ASP HA 70 TYR HD 6.50 (# 54:65 Unique 2.97, 5.71 A)
&rst
ixpk= 54, nxpk= 65, iat=1192, -1, r1= 0.00, r2= 1.80, r3= 7.30, r4= 8.05,
igr2=1177,1186,
&end
#
# 70 TYR HB- 70 TYR HD 3.50 (# 56:65 Unique 2.30, 3.05 A)
&rst
ixpk= 56, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1173,1174,
igr2=1177,1186,
&end
#
# 70 TYR HB+ 70 TYR HD 3.50 (# 57:65 Unique 2.30, 3.05 A)
&rst
ixpk= 57, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1173,1174,
igr2=1177,1186,
&end
#
# 78 VAL MGY 70 TYR HD 6.50 (# 58:65 Unique 3.14, 7.83 A)
&rst
ixpk= 58, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.84, r4=10.59,
igr1=1310,1311,1312,1314,1315,1316,
igr2=1177,1186,
&end
#
# 66 VAL MGX 70 TYR HD 6.50 (# 60:65 Unique 4.02, 9.85 A)
&rst
ixpk= 60, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.84, r4=10.59,
igr1=1106,1107,1108,1110,1111,1112,
igr2=1177,1186,
&end
#
# 105 GLN HB- 70 TYR HE 4.50 (# 64:65 Unique 3.07, 6.57 A)
&rst
ixpk= 64, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1754,1755,
igr2=1179,1184,
&end
#
# 78 VAL MGX 70 TYR HE 6.50 (# 66:65 Unique 5.25, 9.73 A)
&rst
ixpk= 66, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.84, r4=10.59,
igr1=1310,1311,1312,1314,1315,1316,
igr2=1179,1184,
&end
#
# 0 AMB 65-2:70 98 TYR HE 5.50 (# 70:65 Single Ambig)
&rst
ixpk= 70, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1637,1615,
igr2=1645,1650,
&end
#
# 94 GLU HG+ 98 TYR HE 4.50 (# 72:65 Unique 2.13, 4.67 A)
&rst
ixpk= 72, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1575,1576,
igr2=1645,1650,
&end
#
# 94 GLU HG- 98 TYR HE 4.50 (# 73:65 Unique 2.13, 4.67 A)
&rst
ixpk= 73, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1575,1576,
igr2=1645,1650,
&end
#
# 86 LEU MDX 98 TYR HE 3.50 (# 74:65 Unique 2.55, 5.43 A)
&rst
ixpk= 74, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1447,1448,1449,1451,1452,1453,
igr2=1645,1650,
&end
#
# 82 LEU MDX 98 TYR HD 4.50 (# 76:65 Unique 2.09, 5.95 A)
&rst
ixpk= 76, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1388,1389,1390,1392,1393,1394,
igr2=1643,1652,
&end
#
# 86 LEU MDX 98 TYR HD 4.50 (# 77:65 Unique 1.95, 4.51 A)
&rst
ixpk= 77, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1447,1448,1449,1451,1452,1453,
igr2=1643,1652,
&end
#
# 0 AMB 65-2:78 98 TYR HD 4.50 (# 78:65 Single Ambig)
&rst
ixpk= 78, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1447,1448,1449,1451,1452,1453,1388,1389,1390,1392,
1393,1394,
igr2=1643,1652,
&end
#
# 59 LEU MDY 98 TYR HD 5.50 (# 79:65 Unique 3.68, 7.32 A)
&rst
ixpk= 79, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 980, 981, 982, 984, 985, 986,
igr2=1643,1652,
&end
#
# 94 GLU HG+ 98 TYR HD 4.50 (# 80:65 Unique 3.13, 5.53 A)
&rst
ixpk= 80, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1575,1576,
igr2=1643,1652,
&end
#
# 94 GLU HG- 98 TYR HD 5.50 (# 81:65 Unique 3.13, 5.53 A)
&rst
ixpk= 81, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1575,1576,
igr2=1643,1652,
&end
#
# 97 LYS HD- 98 TYR HD 5.50 (# 82:65 Unique 5.00, 7.86 A)
&rst
ixpk= 82, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1623,1624,
igr2=1643,1652,
&end
#
# 98 TYR HB+ 98 TYR HD 3.50 (# 83:65 Unique 2.30, 3.07 A)
&rst
ixpk= 83, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1639,1640,
igr2=1643,1652,
&end
#
# 98 TYR HB- 98 TYR HD 4.50 (# 84:65 Unique 2.30, 3.07 A)
&rst
ixpk= 84, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1639,1640,
igr2=1643,1652,
&end
#
# 98 TYR HA 98 TYR HD 4.50 (# 85:65 Unique 2.21, 3.34 A)
&rst
ixpk= 85, nxpk= 65, iat=1637, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1643,1652,
&end
#
# 86 LEU HA 98 TYR HD 6.50 (# 86:65 Unique 4.97, 6.83 A)
&rst
ixpk= 86, nxpk= 65, iat=1440, -1, r1= 0.00, r2= 1.80, r3= 7.30, r4= 8.05,
igr2=1643,1652,
&end
#
# 95 SER HA 98 TYR HD 5.50 (# 87:65 Unique 3.77, 4.89 A)
&rst
ixpk= 87, nxpk= 65, iat=1585, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1643,1652,
&end
#
# 98 TYR HE 98 TYR HD 2.80 (# 89:65 Unique 2.46, 3.69 A)
&rst
ixpk= 89, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1645,1650,
igr2=1643,1652,
&end
#
# 98 TYR HN 98 TYR HD 4.50 (# 90:65 Unique 2.02, 3.66 A)
&rst
ixpk= 90, nxpk= 65, iat=1635, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1643,1652,
&end
#
# 59 LEU MDX 62 TYR HE 5.50 (# 110:65 Unique 3.35, 7.33 A)
&rst
ixpk= 110, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 980, 981, 982, 984, 985, 986,
igr2=1043,1048,
&end
#
# 0 AMB 65-2:111 62 TYR HE 4.50 (# 111:65 Single Ambig)
&rst
ixpk= 111, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1388,1389,1390,1392,1393,1394,1106,1107,1108,1110,
1111,1112,1447,1448,1449,1451,1452,1453,
igr2=1043,1048,
&end
#
# 0 AMB 65-2:112 62 TYR HE 5.50 (# 112:65 Single Ambig)
&rst
ixpk= 112, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.54, r4= 9.29,
igr1=1386,1310,1311,1312,1314,1315,1316,
igr2=1043,1048,
&end
#
# 29 PHE HN 26 PHE HD 6.50 (# 118:65 Unique 4.29, 5.89 A)
&rst
ixpk= 118, nxpk= 65, iat= 452, -1, r1= 0.00, r2= 1.80, r3= 7.30, r4= 8.05,
igr2= 408, 416,
&end
#
# 26 PHE HE 26 PHE HD 4.50 (# 119:65 Unique 2.46, 3.69 A)
&rst
ixpk= 119, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 410, 414,
igr2= 408, 416,
&end
#
# 0 AMB 65-2:120 26 PHE HD 5.50 (# 120:65 Single Ambig)
&rst
ixpk= 120, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 454, 930,
igr2= 408, 416,
&end
#
# 26 PHE HA 26 PHE HD 5.50 (# 121:65 Unique 1.93, 3.18 A)
&rst
ixpk= 121, nxpk= 65, iat= 402, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 408, 416,
&end
#
# 26 PHE HB+ 26 PHE HD 5.50 (# 122:65 Unique 2.28, 3.05 A)
&rst
ixpk= 122, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 404, 405,
igr2= 408, 416,
&end
#
# 26 PHE HN 26 PHE HE 6.50 (# 125:65 Unique 5.44, 5.90 A)
&rst
ixpk= 125, nxpk= 65, iat= 400, -1, r1= 0.00, r2= 1.80, r3= 7.30, r4= 8.05,
igr2= 410, 414,
&end
#
# 26 PHE HD 26 PHE HE 4.50 (# 126:65 Unique 2.46, 3.69 A)
&rst
ixpk= 126, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 408, 416,
igr2= 410, 414,
&end
#
# 26 PHE HZ 26 PHE HE 4.50 (# 127:65 Unique 2.46, 2.46 A)
&rst
ixpk= 127, nxpk= 65, iat= 412, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 410, 414,
&end
#
# 45 LEU MDX 26 PHE HE 5.50 (# 128:65 Unique 2.74, 7.12 A)
&rst
ixpk= 128, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 747, 748, 749, 751, 752, 753,
igr2= 410, 414,
&end
#
# 26 PHE HE 26 PHE HZ 4.50 (# 129:65 Unique 2.46, 2.46 A)
&rst
ixpk= 129, nxpk= 65, iat= -1, 412, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 410, 414,
&end
#
# 45 LEU MDX 26 PHE HZ 5.50 (# 132:65 Unique 4.18, 6.78 A)
&rst
ixpk= 132, nxpk= 65, iat= -1, 412, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 747, 748, 749, 751, 752, 753,
&end
#
# 39 PHE HE 39 PHE HD 2.80 (# 133:65 Unique 2.46, 3.69 A)
&rst
ixpk= 133, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 655, 659,
igr2= 653, 661,
&end
#
# 39 PHE HA 39 PHE HD 4.50 (# 134:65 Unique 1.96, 3.28 A)
&rst
ixpk= 134, nxpk= 65, iat= 647, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 653, 661,
&end
#
# 72 LYS HA 39 PHE HD 6.50 (# 135:65 Unique 4.98, 7.95 A)
&rst
ixpk= 135, nxpk= 65, iat=1204, -1, r1= 0.00, r2= 1.80, r3= 7.30, r4= 8.05,
igr2= 653, 661,
&end
#
# 39 PHE HB+ 39 PHE HD 4.50 (# 137:65 Unique 2.29, 3.06 A)
&rst
ixpk= 137, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 649, 650,
igr2= 653, 661,
&end
#
# 39 PHE HB- 39 PHE HD 4.50 (# 138:65 Unique 2.29, 3.06 A)
&rst
ixpk= 138, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 649, 650,
igr2= 653, 661,
&end
#
# 40 GLN HG- 39 PHE HD 4.50 (# 140:65 Unique 3.61, 6.03 A)
&rst
ixpk= 140, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 672, 673,
igr2= 653, 661,
&end
#
# 0 AMB 65-2:146 0 AMB 65-1:146 4.50 (# 146:65 Double Ambig)
&rst
ixpk= 146, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 797, 798, 797, 798,
igr2= 801, 809, 821, 829,
&end
#
# 0 AMB 65-2:148 0 AMB 65-1:148 4.50 (# 148:65 Double Ambig)
&rst
ixpk= 148, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 335, 336, 385, 386,1421,1422,1423, 778, 779,
igr2= 801, 809, 821, 829,
&end
#
# 45 LEU MDY 0 AMB 65-1:149 6.50 (# 149:65 Single Ambig)
&rst
ixpk= 149, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.04, r4=11.79,
igr1= 747, 748, 749, 751, 752, 753,
igr2= 801, 809, 821, 829,
&end
#
# 0 AMB 65-2:150 0 AMB 65-1:150 6.50 (# 150:65 Double Ambig)
&rst
ixpk= 150, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.84, r4=10.59,
igr1= 456, 457,1306,
igr2= 801, 809, 821, 829,
&end
#
# 61 LEU MDX 65 PHE HD 5.50 (# 151:65 Unique 2.01, 4.69 A)
&rst
ixpk= 151, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1023,1024,1025,1027,1028,1029,
igr2=1088,1096,
&end
#
# 61 LEU MDY 65 PHE HD 5.50 (# 152:65 Unique 2.01, 4.69 A)
&rst
ixpk= 152, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1023,1024,1025,1027,1028,1029,
igr2=1088,1096,
&end
#
# 7 ILE QG2 65 PHE HD 6.50 (# 153:65 Unique 3.05, 5.81 A)
&rst
ixpk= 153, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.76, r4= 9.51,
igr1= 107, 108, 109,
igr2=1088,1096,
&end
#
# 65 PHE HA 65 PHE HD 5.50 (# 154:65 Unique 3.03, 3.48 A)
&rst
ixpk= 154, nxpk= 65, iat=1082, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1088,1096,
&end
#
# 69 PHE HN 69 PHE HD 4.50 (# 155:65 Unique 2.74, 3.95 A)
&rst
ixpk= 155, nxpk= 65, iat=1149, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1157,1165,
&end
#
# 69 PHE HZ 69 PHE HD 5.50 (# 156:65 Unique 4.26, 4.26 A)
&rst
ixpk= 156, nxpk= 65, iat=1161, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1157,1165,
&end
#
# 69 PHE HE 69 PHE HD 3.50 (# 157:65 Unique 2.46, 3.69 A)
&rst
ixpk= 157, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1159,1163,
igr2=1157,1165,
&end
#
# 69 PHE HB- 69 PHE HD 3.50 (# 159:65 Unique 2.33, 3.06 A)
&rst
ixpk= 159, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1153,1154,
igr2=1157,1165,
&end
#
# 69 PHE HB+ 69 PHE HD 3.50 (# 160:65 Unique 2.33, 3.06 A)
&rst
ixpk= 160, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1153,1154,
igr2=1157,1165,
&end
#
# 73 ILE QG2 69 PHE HD 4.50 (# 162:65 Unique 3.12, 6.38 A)
&rst
ixpk= 162, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1230,1231,1232,
igr2=1157,1165,
&end
#
# 73 ILE HG1+ 69 PHE HD 4.50 (# 163:65 Unique 2.74, 4.94 A)
&rst
ixpk= 163, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1234,1235,
igr2=1157,1165,
&end
#
# 0 AMB 65-2:164 69 PHE HD 3.50 (# 164:65 Single Ambig)
&rst
ixpk= 164, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1237,1238,1239,1106,1107,1108,1110,1111,1112, 747,
748, 749, 751, 752, 753,
igr2=1157,1165,
&end
#
# 66 VAL MGX 69 PHE HD 5.50 (# 165:65 Unique 2.02, 4.95 A)
&rst
ixpk= 165, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1106,1107,1108,1110,1111,1112,
igr2=1157,1165,
&end
#
# 69 PHE HZ 69 PHE HE 3.50 (# 166:65 Unique 2.46, 2.46 A)
&rst
ixpk= 166, nxpk= 65, iat=1161, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1159,1163,
&end
#
# 7 ILE QD1 69 PHE HE 5.50 (# 169:65 Unique 4.58, 7.35 A)
&rst
ixpk= 169, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 114, 115, 116,
igr2=1159,1163,
&end
#
# 0 AMB 65-2:170 69 PHE HE 3.50 (# 170:65 Single Ambig)
&rst
ixpk= 170, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 747, 748, 749, 751, 752, 753,1106,1107,1108,1110,
1111,1112,
igr2=1159,1163,
&end
#
# 73 ILE QG2 69 PHE HE 5.50 (# 171:65 Unique 4.37, 7.34 A)
&rst
ixpk= 171, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1230,1231,1232,
igr2=1159,1163,
&end
#
# 0 AMB 65-2:173 69 PHE HE 4.50 (# 173:65 Single Ambig)
&rst
ixpk= 173, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1102, 742, 743,
igr2=1159,1163,
&end
#
# 69 PHE HE 69 PHE HZ 3.50 (# 175:65 Unique 2.46, 2.46 A)
&rst
ixpk= 175, nxpk= 65, iat= -1,1161, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1159,1163,
&end
#
# 66 VAL HA 69 PHE HZ 5.50 (# 177:65 Unique 2.54, 3.90 A)
&rst
ixpk= 177, nxpk= 65, iat=1102,1161, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 65-2:179 69 PHE HZ 3.50 (# 179:65 Single Ambig)
&rst
ixpk= 179, nxpk= 65, iat= -1,1161, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1106,1107,1108,1110,1111,1112, 747, 748, 749, 751,
752, 753,
&end
#
# 7 ILE QD1 69 PHE HZ 5.50 (# 180:65 Unique 5.65, 6.63 A)
&rst
ixpk= 180, nxpk= 65, iat= -1,1161, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 114, 115, 116,
&end
#
# 0 AMB 65-2:181 69 PHE HZ 6.50 (# 181:65 Single Ambig)
&rst
ixpk= 181, nxpk= 65, iat= -1,1161, r1= 0.00, r2= 1.80, r3= 9.19, r4= 9.94,
igr1=1206,1207, 174, 175, 176, 178, 179, 180,
&end
#
# 106 PHE HE 106 PHE HD 3.50 (# 183:65 Unique 2.46, 3.69 A)
&rst
ixpk= 183, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1777,1781,
igr2=1775,1783,
&end
#
# 106 PHE HA 106 PHE HD 3.50 (# 184:65 Unique 1.95, 3.30 A)
&rst
ixpk= 184, nxpk= 65, iat=1769, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1775,1783,
&end
#
# 109 LEU HG 106 PHE HD 4.50 (# 186:65 Unique 3.91, 5.88 A)
&rst
ixpk= 186, nxpk= 65, iat=1826, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1775,1783,
&end
#
# 109 LEU MDX 106 PHE HD 3.50 (# 188:65 Unique 2.72, 6.28 A)
&rst
ixpk= 188, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1828,1829,1830,1832,1833,1834,
igr2=1775,1783,
&end
#
# 0 AMB 65-2:189 106 PHE HD 4.50 (# 189:65 Single Ambig)
&rst
ixpk= 189, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1708,1709,1710,1712,1713,1714,2139,2140,2141,
igr2=1775,1783,
&end
#
# 106 PHE HB+ 106 PHE HE 5.50 (# 190:65 Unique 4.65, 5.04 A)
&rst
ixpk= 190, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1771,1772,
igr2=1777,1781,
&end
#
# 0 AMB 65-2:191 106 PHE HE 5.50 (# 191:65 Single Ambig)
&rst
ixpk= 191, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1120,1121,1720,
igr2=1777,1781,
&end
#
# 79 VAL MGX 106 PHE HE 4.50 (# 194:65 Unique 2.01, 6.56 A)
&rst
ixpk= 194, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1326,1327,1328,1330,1331,1332,
igr2=1777,1781,
&end
#
# 78 VAL MGX 106 PHE HE 5.50 (# 195:65 Unique 1.99, 5.12 A)
&rst
ixpk= 195, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1310,1311,1312,1314,1315,1316,
igr2=1777,1781,
&end
#
# 109 LEU MDY 106 PHE HE 6.50 (# 196:65 Unique 4.28, 7.55 A)
&rst
ixpk= 196, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.84, r4=10.59,
igr1=1828,1829,1830,1832,1833,1834,
igr2=1777,1781,
&end
#
# 102 LEU MDY 106 PHE HE 3.50 (# 197:65 Unique 1.99, 4.28 A)
&rst
ixpk= 197, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1708,1709,1710,1712,1713,1714,
igr2=1777,1781,
&end
#
# 32 PHE HE 32 PHE HD 5.50 (# 198:65 Unique 2.46, 3.69 A)
&rst
ixpk= 198, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 519, 523,
igr2= 517, 525,
&end
#
# 32 PHE HA 32 PHE HD 4.50 (# 199:65 Unique 1.95, 3.24 A)
&rst
ixpk= 199, nxpk= 65, iat= 511, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 517, 525,
&end
#
# 7 ILE QD1 2 PHE HD 5.50 (# 203:65 Unique 2.16, 7.29 A)
&rst
ixpk= 203, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 114, 115, 116,
igr2= 29, 37,
&end
#
# 0 AMB 65-2:204 32 PHE HE 2.80 (# 204:65 Single Ambig)
&rst
ixpk= 204, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 447, 448, 517, 525,
igr2= 519, 523,
&end
#
# 28 GLN HG- 32 PHE HE 5.50 (# 206:65 Unique 2.39, 5.72 A)
&rst
ixpk= 206, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 442, 443,
igr2= 519, 523,
&end
#
# 31 LYS HD- 32 PHE HE 3.50 (# 209:65 Unique 2.88, 4.69 A)
&rst
ixpk= 209, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 497, 498,
igr2= 519, 523,
&end
#
# 41 LEU QD1 29 PHE HN 5.50 (# 249:10)
&rst
ixpk= 249, nxpk= 10, iat= -1, 452, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
igr1= 691, 692, 693,
&end
#
# 73 ILE QD1 78 VAL HN 4.50 (# 682:10)
&rst
ixpk= 682, nxpk= 10, iat= -1,1304, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1237,1238,1239,
&end
#
# 7 ILE QD1 2 PHE QB 6.50 (# 22:20)
&rst
ixpk= 22, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.76, r4= 9.51,
igr1= 114, 115, 116,
igr2= 25, 26,
&end
#
# 30 GLU QG 7 ILE QG2 4.50 (# 114:20)
&rst
ixpk= 114, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 479, 480,
igr2= 107, 108, 109,
&end
#
# 64 ASN QB 10 ILE QG2 5.50 (# 185:20)
&rst
ixpk= 185, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1070,1071,
igr2= 152, 153, 154,
&end
#
# 26 PHE HA 11 LEU QD1 5.50 (# 218:20)
&rst
ixpk= 218, nxpk= 20, iat= 402, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 174, 175, 176,
&end
#
# 30 GLU HA 11 LEU QD2 4.50 (# 233:20)
&rst
ixpk= 233, nxpk= 20, iat= 474, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 178, 179, 180,
&end
#
# 86 LEU QD2 95 SER QB 4.50 (# 248:20)
&rst
ixpk= 248, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1451,1452,1453,
igr2=1587,1588,
&end
#
# 57 LEU QD1 22 LEU QD1 3.50 (# 440:20)
&rst
ixpk= 440, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 937, 938, 939,
igr2= 340, 341, 342,
&end
#
# 54 SER QB 22 LEU QD2 3.50 (# 449:20)
&rst
ixpk= 449, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 893, 894,
igr2= 344, 345, 346,
&end
#
# 44 SER HA 25 LEU QD1 5.50 (# 497:20)
&rst
ixpk= 497, nxpk= 20, iat= 729, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 390, 391, 392,
&end
#
# 11 LEU QD2 30 GLU HA 4.50 (# 554:20)
&rst
ixpk= 554, nxpk= 20, iat= -1, 474, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 178, 179, 180,
&end
#
# 7 ILE QG2 30 GLU QG 4.50 (# 568:20)
&rst
ixpk= 568, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 107, 108, 109,
igr2= 479, 480,
&end
#
# 41 LEU QD2 33 TYR HA 4.50 (# 623:20)
&rst
ixpk= 623, nxpk= 20, iat= -1, 531, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 695, 696, 697,
&end
#
# 32 PHE QE 37 LEU QD1 5.50 (# 700:20)
&rst
ixpk= 700, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 519, 523,
igr2= 611, 612, 613,
&end
#
# 32 PHE QE 37 LEU QD2 4.50 (# 715:20)
&rst
ixpk= 715, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 519, 523,
igr2= 615, 616, 617,
&end
#
# 33 TYR HA 41 LEU QD2 4.50 (# 790:20)
&rst
ixpk= 790, nxpk= 20, iat= 531, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 695, 696, 697,
&end
#
# 84 ALA QB 49 PHE QB 6.50 (# 905:20)
&rst
ixpk= 905, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.76, r4= 9.51,
igr1=1421,1422,1423,
igr2= 817, 818,
&end
#
# 84 ALA QB 55 THR QG2 5.50 (# 959:20)
&rst
ixpk= 959, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1421,1422,1423,
igr2= 906, 907, 908,
&end
#
# 18 ALA QB 57 LEU QD1 3.50 (# 1002:20)
&rst
ixpk= 1002, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 288, 289, 290,
igr2= 937, 938, 939,
&end
#
# 22 LEU QD1 57 LEU QD1 3.50 (# 1004:20)
&rst
ixpk= 1004, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 340, 341, 342,
igr2= 937, 938, 939,
&end
#
# 18 ALA HA 57 LEU QD2 3.50 (# 1013:20)
&rst
ixpk= 1013, nxpk= 20, iat= 286, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 941, 942, 943,
&end
#
# 17 GLU QG 57 LEU QD2 4.50 (# 1014:20)
&rst
ixpk= 1014, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 276, 277,
igr2= 941, 942, 943,
&end
#
# 17 GLU QG 57 LEU QD2 3.50 (# 1018:20)
&rst
ixpk= 1018, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 276, 277,
igr2= 941, 942, 943,
&end
#
# 18 ALA QB 57 LEU QD2 3.50 (# 1019:20)
&rst
ixpk= 1019, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 288, 289, 290,
igr2= 941, 942, 943,
&end
#
# 82 LEU QD1 59 LEU QD2 4.50 (# 1046:20)
&rst
ixpk= 1046, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1388,1389,1390,
igr2= 984, 985, 986,
&end
#
# 14 LEU QD1 60 ARG QB 4.50 (# 1056:20)
&rst
ixpk= 1056, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 218, 219, 220,
igr2= 994, 995,
&end
#
# 66 VAL QG2 61 LEU QD1 4.50 (# 1095:20)
&rst
ixpk= 1095, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1110,1111,1112,
igr2=1023,1024,1025,
&end
#
# 11 LEU QD1 61 LEU QD2 4.50 (# 1097:20)
&rst
ixpk= 1097, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 174, 175, 176,
igr2=1027,1028,1029,
&end
#
# 10 ILE QD1 61 LEU QD2 4.50 (# 1098:20)
&rst
ixpk= 1098, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 159, 160, 161,
igr2=1027,1028,1029,
&end
#
# 81 TYR QB 66 VAL QG1 5.50 (# 1144:20)
&rst
ixpk= 1144, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1362,1363,
igr2=1106,1107,1108,
&end
#
# 78 VAL HA 66 VAL QG1 5.50 (# 1145:20)
&rst
ixpk= 1145, nxpk= 20, iat=1306, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1106,1107,1108,
&end
#
# 77 SER HA 66 VAL QG1 6.50 (# 1146:20)
&rst
ixpk= 1146, nxpk= 20, iat=1295, -1, r1= 0.00, r2= 1.80, r3= 7.81, r4= 8.56,
igr2=1106,1107,1108,
&end
#
# 61 LEU QD1 66 VAL QG2 4.50 (# 1154:20)
&rst
ixpk= 1154, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1023,1024,1025,
igr2=1110,1111,1112,
&end
#
# 29 PHE QD 66 VAL QG2 5.50 (# 1166:20)
&rst
ixpk= 1166, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 460, 468,
igr2=1110,1111,1112,
&end
#
# 7 ILE QD1 68 LYS QG 4.50 (# 1190:20)
&rst
ixpk= 1190, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 114, 115, 116,
igr2=1134,1135,
&end
#
# 78 VAL QG2 70 TYR HA 6.50 (# 1198:20)
&rst
ixpk= 1198, nxpk= 20, iat= -1,1171, r1= 0.00, r2= 1.80, r3= 7.81, r4= 8.56,
igr1=1314,1315,1316,
&end
#
# 109 LEU QD1 71 ASP QB 3.50 (# 1216:20)
&rst
ixpk= 1216, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1828,1829,1830,
igr2=1194,1195,
&end
#
# 42 SER QB 73 ILE QG2 4.50 (# 1294:20)
&rst
ixpk= 1294, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 705, 706,
igr2=1230,1231,1232,
&end
#
# 106 PHE QE 78 VAL QG2 5.50 (# 1325:20)
&rst
ixpk= 1325, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1777,1781,
igr2=1314,1315,1316,
&end
#
# 70 TYR QD 78 VAL QG2 5.50 (# 1328:20)
&rst
ixpk= 1328, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1177,1186,
igr2=1314,1315,1316,
&end
#
# 70 TYR HA 78 VAL QG2 5.50 (# 1332:20)
&rst
ixpk= 1332, nxpk= 20, iat=1171, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1314,1315,1316,
&end
#
# 66 VAL QG1 78 VAL QG2 3.50 (# 1336:20)
&rst
ixpk= 1336, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1106,1107,1108,
igr2=1314,1315,1316,
&end
#
# 102 LEU QD1 78 VAL QG1 5.50 (# 1337:20)
&rst
ixpk= 1337, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1708,1709,1710,
igr2=1310,1311,1312,
&end
#
# 70 TYR QB 78 VAL QG1 5.50 (# 1341:20)
&rst
ixpk= 1341, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1173,1174,
igr2=1310,1311,1312,
&end
#
# 70 TYR QB 78 VAL QG1 5.50 (# 1342:20)
&rst
ixpk= 1342, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1173,1174,
igr2=1310,1311,1312,
&end
#
# 70 TYR HA 78 VAL QG1 5.50 (# 1345:20)
&rst
ixpk= 1345, nxpk= 20, iat=1171, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1310,1311,1312,
&end
#
# 106 PHE QE 78 VAL QG1 5.50 (# 1349:20)
&rst
ixpk= 1349, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1777,1781,
igr2=1310,1311,1312,
&end
#
# 99 LEU QD1 79 VAL QG1 3.50 (# 1358:20)
&rst
ixpk= 1358, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1665,1666,1667,
igr2=1326,1327,1328,
&end
#
# 103 LYS HA 79 VAL QG1 4.50 (# 1361:20)
&rst
ixpk= 1361, nxpk= 20, iat=1720, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1326,1327,1328,
&end
#
# 98 TYR QD 82 LEU QD2 5.50 (# 1394:20)
&rst
ixpk= 1394, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1643,1652,
igr2=1392,1393,1394,
&end
#
# 59 LEU QD2 82 LEU QD1 4.50 (# 1398:20)
&rst
ixpk= 1398, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 984, 985, 986,
igr2=1388,1389,1390,
&end
#
# 98 TYR HA 82 LEU QD1 5.50 (# 1408:20)
&rst
ixpk= 1408, nxpk= 20, iat=1637, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1388,1389,1390,
&end
#
# 98 TYR QE 82 LEU QD1 4.50 (# 1411:20)
&rst
ixpk= 1411, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1645,1650,
igr2=1388,1389,1390,
&end
#
# 49 PHE QB 84 ALA QB 5.50 (# 1435:20)
&rst
ixpk= 1435, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 817, 818,
igr2=1421,1422,1423,
&end
#
# 49 PHE QD 84 ALA QB 3.50 (# 1439:20)
&rst
ixpk= 1439, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 821, 829,
igr2=1421,1422,1423,
&end
#
# 59 LEU QD2 86 LEU QD1 3.50 (# 1460:20)
&rst
ixpk= 1460, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 984, 985, 986,
igr2=1447,1448,1449,
&end
#
# 82 LEU QD2 98 TYR HA 5.50 (# 1624:20)
&rst
ixpk= 1624, nxpk= 20, iat= -1,1637, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1392,1393,1394,
&end
#
# 70 TYR QE 109 LEU QD1 5.50 (# 1733:20)
&rst
ixpk= 1733, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1179,1184,
igr2=1828,1829,1830,
&end
#
# 29 PHE HA 11 LEU QD1 6.50 (# 1819:20)
&rst
ixpk= 1819, nxpk= 20, iat= 454, -1, r1= 0.00, r2= 1.80, r3= 7.81, r4= 8.56,
igr2= 174, 175, 176,
&end
#
# 99 LEU HG 79 VAL QG1 4.50 (# 1883:20)
&rst
ixpk= 1883, nxpk= 20, iat=1663, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1326,1327,1328,
&end
#
# 79 VAL HA 102 LEU QD2 5.50 (# 1896:20)
&rst
ixpk= 1896, nxpk= 20, iat=1322, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1712,1713,1714,
&end
#
# 26 PHE QB 15 ARG QG 5.50 (# 2130:20)
&rst
ixpk= 2130, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 404, 405,
igr2= 235, 236,
&end
#
# 29 PHE QB 41 LEU QD1 6.50 (# 2166:20)
&rst
ixpk= 2166, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.76, r4= 9.51,
igr1= 456, 457,
igr2= 691, 692, 693,
&end
#
# 33 TYR QB 41 LEU QD1 4.50 (# 2167:20)
&rst
ixpk= 2167, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 533, 534,
igr2= 691, 692, 693,
&end
#
# 29 PHE QB 41 LEU QD1 5.50 (# 2168:20)
&rst
ixpk= 2168, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 456, 457,
igr2= 691, 692, 693,
&end
#
# 33 TYR HA 41 LEU QD1 4.50 (# 2169:20)
&rst
ixpk= 2169, nxpk= 20, iat= 531, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 691, 692, 693,
&end
#
# 29 PHE HA 41 LEU QD1 3.50 (# 2171:20)
&rst
ixpk= 2171, nxpk= 20, iat= 454, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 691, 692, 693,
&end
#
# 26 PHE QE 41 LEU QD1 5.50 (# 2172:20)
&rst
ixpk= 2172, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 410, 414,
igr2= 691, 692, 693,
&end
#
# 26 PHE QD 41 LEU QD1 5.50 (# 2176:20)
&rst
ixpk= 2176, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 408, 416,
igr2= 691, 692, 693,
&end
#
# 69 PHE QD 41 LEU QD1 5.50 (# 2178:20)
&rst
ixpk= 2178, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1157,1165,
igr2= 691, 692, 693,
&end
#
# 68 LYS QG 7 ILE QD1 4.50 (# 2184:20)
&rst
ixpk= 2184, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1134,1135,
igr2= 114, 115, 116,
&end
#
# 2 PHE QB 7 ILE QD1 5.50 (# 2189:20)
&rst
ixpk= 2189, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 25, 26,
igr2= 114, 115, 116,
&end
#
# 2 PHE QB 7 ILE QD1 6.50 (# 2190:20)
&rst
ixpk= 2190, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.76, r4= 9.51,
igr1= 25, 26,
igr2= 114, 115, 116,
&end
#
# 33 TYR QB 7 ILE QD1 5.50 (# 2191:20)
&rst
ixpk= 2191, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 533, 534,
igr2= 114, 115, 116,
&end
#
# 65 PHE HA 7 ILE QD1 4.50 (# 2194:20)
&rst
ixpk= 2194, nxpk= 20, iat=1082, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 114, 115, 116,
&end
#
# 2 PHE QB 7 ILE QG2 5.50 (# 2198:20)
&rst
ixpk= 2198, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 25, 26,
igr2= 107, 108, 109,
&end
#
# 39 PHE QD 73 ILE QD1 5.50 (# 2258:20)
&rst
ixpk= 2258, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 653, 661,
igr2=1237,1238,1239,
&end
#
# 42 SER QB 73 ILE QG2 3.50 (# 2262:20)
&rst
ixpk= 2262, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 705, 706,
igr2=1230,1231,1232,
&end
#
# 56 PRO QG 84 ALA QB 6.50 (# 2269:20)
&rst
ixpk= 2269, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.76, r4= 9.51,
igr1= 918, 919,
igr2=1421,1422,1423,
&end
#
# 78 VAL QG1 102 LEU QD1 5.50 (# 2293:20)
&rst
ixpk= 2293, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1310,1311,1312,
igr2=1708,1709,1710,
&end
#
# 106 PHE QE 66 VAL QG1 5.50 (# 2314:20)
&rst
ixpk= 2314, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1777,1781,
igr2=1106,1107,1108,
&end
#
# 41 LEU QD1 66 VAL QG2 5.50 (# 2316:20)
&rst
ixpk= 2316, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 691, 692, 693,
igr2=1110,1111,1112,
&end
#
# 33 TYR QE 7 ILE QG1 4.50 (# 2382:20)
&rst
ixpk= 2382, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 539, 544,
igr2= 111, 112,
&end
#
# 30 GLU QG 11 LEU QD1 5.50 (# 2414:20)
&rst
ixpk= 2414, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 479, 480,
igr2= 174, 175, 176,
&end
#
# 26 PHE QB 11 LEU QD1 5.50 (# 2418:20)
&rst
ixpk= 2418, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 404, 405,
igr2= 174, 175, 176,
&end
#
# 61 LEU QD2 11 LEU QD2 5.50 (# 2421:20)
&rst
ixpk= 2421, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1027,1028,1029,
igr2= 178, 179, 180,
&end
#
# 79 VAL QG1 99 LEU QB 5.50 (# 2429:20)
&rst
ixpk= 2429, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1326,1327,1328,
igr2=1660,1661,
&end
#
# 60 ARG QD 14 LEU QD2 4.50 (# 2434:20)
&rst
ixpk= 2434, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1000,1001,
igr2= 222, 223, 224,
&end
#
# 57 LEU QD2 17 GLU HA 4.50 (# 2460:20)
&rst
ixpk= 2460, nxpk= 20, iat= -1, 271, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 941, 942, 943,
&end
#
# 53 LYS HA 22 LEU QD1 4.50 (# 2519:20)
&rst
ixpk= 2519, nxpk= 20, iat= 869, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 340, 341, 342,
&end
#
# 54 SER QB 22 LEU QD1 4.50 (# 2520:20)
&rst
ixpk= 2520, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 893, 894,
igr2= 340, 341, 342,
&end
#
# 53 LYS QB 22 LEU QD2 2.80 (# 2521:20)
&rst
ixpk= 2521, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 871, 872,
igr2= 344, 345, 346,
&end
#
# 25 LEU QD1 44 SER HA 6.50 (# 2533:20)
&rst
ixpk= 2533, nxpk= 20, iat= -1, 729, r1= 0.00, r2= 1.80, r3= 7.81, r4= 8.56,
igr1= 390, 391, 392,
&end
#
# 46 THR QG2 25 LEU QD1 6.50 (# 2538:20)
&rst
ixpk= 2538, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.37, r4=10.12,
igr1= 763, 764, 765,
igr2= 390, 391, 392,
&end
#
# 47 LYS QG 25 LEU QD1 5.50 (# 2539:20)
&rst
ixpk= 2539, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 778, 779,
igr2= 390, 391, 392,
&end
#
# 47 LYS QG 25 LEU QD2 5.50 (# 2544:20)
&rst
ixpk= 2544, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 778, 779,
igr2= 394, 395, 396,
&end
#
# 11 LEU QB 30 GLU HA 5.50 (# 2557:20)
&rst
ixpk= 2557, nxpk= 20, iat= -1, 474, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 169, 170,
&end
#
# 38 TRP HH2 33 TYR HA 6.50 (# 2582:20)
&rst
ixpk= 2582, nxpk= 20, iat= 636, 531, r1= 0.00, r2= 1.80, r3= 6.50, r4= 7.25, &end
#
# 69 PHE QE 41 LEU QD2 5.50 (# 2626:20)
&rst
ixpk= 2626, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1159,1163,
igr2= 695, 696, 697,
&end
#
# 69 PHE HZ 41 LEU QD2 5.50 (# 2627:20)
&rst
ixpk= 2627, nxpk= 20, iat=1161, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 695, 696, 697,
&end
#
# 22 LEU QD2 53 LYS HA 4.50 (# 2690:20)
&rst
ixpk= 2690, nxpk= 20, iat= -1, 869, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 344, 345, 346,
&end
#
# 17 GLU QG 57 LEU QD1 4.50 (# 2747:20)
&rst
ixpk= 2747, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 276, 277,
igr2= 937, 938, 939,
&end
#
# 86 LEU QD2 59 LEU QD2 4.50 (# 2769:20)
&rst
ixpk= 2769, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1451,1452,1453,
igr2= 984, 985, 986,
&end
#
# 66 VAL QG2 61 LEU QD2 4.50 (# 2788:20)
&rst
ixpk= 2788, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1110,1111,1112,
igr2=1027,1028,1029,
&end
#
# 7 ILE QG2 65 PHE HA 5.50 (# 2806:20)
&rst
ixpk= 2806, nxpk= 20, iat= -1,1082, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 107, 108, 109,
&end
#
# 73 ILE QG1 66 VAL QG1 5.50 (# 2824:20)
&rst
ixpk= 2824, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1234,1235,
igr2=1106,1107,1108,
&end
#
# 66 VAL QG2 78 VAL HA 5.50 (# 2871:20)
&rst
ixpk= 2871, nxpk= 20, iat= -1,1306, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1110,1111,1112,
&end
#
# 73 ILE HB 78 VAL QG1 5.50 (# 2881:20)
&rst
ixpk= 2881, nxpk= 20, iat=1228, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1310,1311,1312,
&end
#
# 102 LEU QD1 79 VAL QG1 5.50 (# 2892:20)
&rst
ixpk= 2892, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1708,1709,1710,
igr2=1326,1327,1328,
&end
#
# 98 TYR QB 86 LEU QD1 5.50 (# 2939:20)
&rst
ixpk= 2939, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1639,1640,
igr2=1447,1448,1449,
&end
#
# 55 THR QG2 88 ASP QB 6.50 (# 2954:20)
&rst
ixpk= 2954, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.76, r4= 9.51,
igr1= 906, 907, 908,
igr2=1483,1484,
&end
#
# 86 LEU QD2 95 SER HA 4.50 (# 2976:20)
&rst
ixpk= 2976, nxpk= 20, iat= -1,1585, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1451,1452,1453,
&end
#
# 82 LEU QD1 98 TYR HA 6.50 (# 3009:20)
&rst
ixpk= 3009, nxpk= 20, iat= -1,1637, r1= 0.00, r2= 1.80, r3= 7.81, r4= 8.56,
igr1=1388,1389,1390,
&end
#
# 22 LEU QD2 48 PHE HA 3.50 (# 3187:20)
&rst
ixpk= 3187, nxpk= 20, iat= -1, 795, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 344, 345, 346,
&end
#
# 25 LEU QD2 48 PHE HA 4.50 (# 3188:20 #push)
&rst
ixpk= 3188, nxpk= 20, iat= -1, 795, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 394, 395, 396,
&end
#
# 22 LEU QD1 54 SER QB 5.50 (# 3206:20)
&rst
ixpk= 3206, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 340, 341, 342,
igr2= 893, 894,
&end
#
# 22 LEU QD1 54 SER QB 4.50 (# 3207:20)
&rst
ixpk= 3207, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 340, 341, 342,
igr2= 893, 894,
&end
#
# 86 LEU QD2 102 LEU QB 5.50 (# 3268:20)
&rst
ixpk= 3268, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1451,1452,1453,
igr2=1703,1704,
&end
#
# 11 LEU QD1 26 PHE HA 5.50 (# 3326:20)
&rst
ixpk= 3326, nxpk= 20, iat= -1, 402, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 174, 175, 176,
&end
#
# 41 LEU QD1 29 PHE QB 4.50 (# 3334:20)
&rst
ixpk= 3334, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 691, 692, 693,
igr2= 456, 457,
&end
#
# 41 LEU QD1 29 PHE QB 4.50 (# 3335:20)
&rst
ixpk= 3335, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 691, 692, 693,
igr2= 456, 457,
&end
#
# 14 LEU QD1 60 ARG QD 4.50 (# 3373:20)
&rst
ixpk= 3373, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 218, 219, 220,
igr2=1000,1001,
&end
#
# 14 LEU QD1 60 ARG QD 4.50 (# 3374:20)
&rst
ixpk= 3374, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 218, 219, 220,
igr2=1000,1001,
&end
#
# 98 TYR HA 82 LEU QD2 6.50 (# 3474:20)
&rst
ixpk= 3474, nxpk= 20, iat=1637, -1, r1= 0.00, r2= 1.80, r3= 7.81, r4= 8.56,
igr2=1392,1393,1394,
&end
#
# 7 ILE QG1 33 TYR QE 5.50 (# 45:65)
&rst
ixpk= 45, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 111, 112,
igr2= 539, 544,
&end
#
# 126 ILE QG2 104 ALA HN 5.50 (# 722:10)
&rst
ixpk= 722, nxpk= 10, iat= -1,1740, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
igr1=2075,2076,2077,
&end
#
# 126 ILE QD1 103 LYS QE 3.50 (# 610:20)
&rst
ixpk= 610, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2082,2083,2084,
igr2=1731,1732,
&end
#
# 126 ILE QD1 103 LYS HA 4.50 (# 1634:20)
&rst
ixpk= 1634, nxpk= 20, iat= -1,1720, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=2082,2083,2084,
&end
#
# 126 ILE QG2 103 LYS HA 4.50 (# 1635:20)
&rst
ixpk= 1635, nxpk= 20, iat= -1,1720, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=2075,2076,2077,
&end
#
# 126 ILE QD1 107 GLN QB 5.50 (# 1685:20)
&rst
ixpk= 1685, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2082,2083,2084,
igr2=1791,1792,
&end
#
# 126 ILE QD1 107 GLN QG 5.50 (# 1701:20)
&rst
ixpk= 1701, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2082,2083,2084,
igr2=1794,1795,
&end
#
# 126 ILE QD1 107 GLN QG 5.50 (# 1702:20)
&rst
ixpk= 1702, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2082,2083,2084,
igr2=1794,1795,
&end
#
# 126 ILE QD1 107 GLN HN 5.50 (# 856:10)
&rst
ixpk= 856, nxpk= 10, iat= -1,1787, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=2082,2083,2084,
&end
#
# 107 GLN QG 126 ILE QD1 5.50 (# 1920:20)
&rst
ixpk= 1920, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1794,1795,
igr2=2082,2083,2084,
&end
#
# 107 GLN QG 126 ILE QD1 4.50 (# 1921:20)
&rst
ixpk= 1921, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1794,1795,
igr2=2082,2083,2084,
&end
#
# 106 PHE QB 126 ILE QD1 3.50 (# 1923:20)
&rst
ixpk= 1923, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1771,1772,
igr2=2082,2083,2084,
&end
#
# 107 GLN HA 126 ILE QD1 4.50 (# 1925:20)
&rst
ixpk= 1925, nxpk= 20, iat=1789, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=2082,2083,2084,
&end
#
# 107 GLN QE2 126 ILE QD1 4.50 (# 1926:20)
&rst
ixpk= 1926, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1799,1800,
igr2=2082,2083,2084,
&end
#
# 106 PHE QD 126 ILE QG2 5.50 (# 1935:20)
&rst
ixpk= 1935, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1775,1783,
igr2=2075,2076,2077,
&end
#
# 106 PHE HA 126 ILE QG2 5.50 (# 1937:20)
&rst
ixpk= 1937, nxpk= 20, iat=1769, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=2075,2076,2077,
&end
#
# 103 LYS QD 126 ILE QG2 3.50 (# 1941:20)
&rst
ixpk= 1941, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1728,1729,
igr2=2075,2076,2077,
&end
#
# 107 GLN QB 126 ILE QG2 5.50 (# 1942:20)
&rst
ixpk= 1942, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1791,1792,
igr2=2075,2076,2077,
&end
#
# 105 GLN QB 126 ILE QG2 7.00 (# 1943:20)
&rst
ixpk= 1943, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1=1754,1755,
igr2=2075,2076,2077,
&end
#
# 103 LYS QG 126 ILE QG2 4.50 (# 1944:20)
&rst
ixpk= 1944, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1725,1726,
igr2=2075,2076,2077,
&end
#
# 103 LYS QG 126 ILE QD1 4.50 (# 2216:20)
&rst
ixpk= 2216, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1725,1726,
igr2=2082,2083,2084,
&end
#
# 106 PHE QB 126 ILE QD1 4.50 (# 2221:20)
&rst
ixpk= 2221, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1771,1772,
igr2=2082,2083,2084,
&end
#
# 106 PHE HA 126 ILE QD1 4.50 (# 2223:20)
&rst
ixpk= 2223, nxpk= 20, iat=1769, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=2082,2083,2084,
&end
#
# 103 LYS QG 126 ILE QG2 4.50 (# 2226:20)
&rst
ixpk= 2226, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1725,1726,
igr2=2075,2076,2077,
&end
#
# 103 LYS QB 126 ILE QG2 4.50 (# 2227:20)
&rst
ixpk= 2227, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1722,1723,
igr2=2075,2076,2077,
&end
#
# 107 GLN QG 126 ILE QG2 5.50 (# 2228:20)
&rst
ixpk= 2228, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1794,1795,
igr2=2075,2076,2077,
&end
#
# 107 GLN QG 126 ILE QG2 5.50 (# 2229:20)
&rst
ixpk= 2229, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1794,1795,
igr2=2075,2076,2077,
&end
#
# 106 PHE QB 126 ILE QG2 5.50 (# 2231:20)
&rst
ixpk= 2231, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1771,1772,
igr2=2075,2076,2077,
&end
#
# 105 GLN HA 126 ILE QG2 7.00 (# 2234:20)
&rst
ixpk= 2234, nxpk= 20, iat=1752, -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr2=2075,2076,2077,
&end
#
# 126 ILE QD1 106 PHE QB 4.50 (# 3041:20)
&rst
ixpk= 3041, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=2082,2083,2084,
igr2=1771,1772,
&end
#
# 129 ILE QG2 102 LEU HN 5.50 (# 962:10)
&rst
ixpk= 962, nxpk= 10, iat= -1,1699, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=2132,2133,2134,
&end
#
# 129 ILE QD1 103 LYS HN 5.50 (# 977:10)
&rst
ixpk= 977, nxpk= 10, iat= -1,1718, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=2139,2140,2141,
&end
#
# 129 ILE QG2 103 LYS HN 5.50 (# 978:10)
&rst
ixpk= 978, nxpk= 10, iat= -1,1718, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=2132,2133,2134,
&end
#
# 129 ILE QD1 103 LYS HA 5.50 (# 1633:20)
&rst
ixpk= 1633, nxpk= 20, iat= -1,1720, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=2139,2140,2141,
&end
#
# 106 PHE QD 129 ILE QD1 4.50 (# 1952:20)
&rst
ixpk= 1952, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1775,1783,
igr2=2139,2140,2141,
&end
#
# 106 PHE QE 129 ILE QD1 4.50 (# 1953:20)
&rst
ixpk= 1953, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1777,1781,
igr2=2139,2140,2141,
&end
#
# 100 ASP HA 129 ILE QD1 7.00 (# 1954:20)
&rst
ixpk= 1954, nxpk= 20, iat=1677, -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr2=2139,2140,2141,
&end
#
# 79 VAL HA 129 ILE QD1 7.00 (# 1958:20)
&rst
ixpk= 1958, nxpk= 20, iat=1322, -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr2=2139,2140,2141,
&end
#
# 102 LEU QB 129 ILE QD1 5.50 (# 1959:20)
&rst
ixpk= 1959, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1703,1704,
igr2=2139,2140,2141,
&end
#
# 103 LYS QB 129 ILE QD1 4.50 (# 1960:20)
&rst
ixpk= 1960, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1722,1723,
igr2=2139,2140,2141,
&end
#
# 103 LYS QD 129 ILE QD1 4.50 (# 1961:20)
&rst
ixpk= 1961, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1728,1729,
igr2=2139,2140,2141,
&end
#
# 79 VAL QG2 129 ILE QD1 3.50 (# 1963:20)
&rst
ixpk= 1963, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1330,1331,1332,
igr2=2139,2140,2141,
&end
#
# 102 LEU QD2 129 ILE QD1 7.00 (# 1964:20 vvv)
&rst
ixpk= 1964, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.10, r4=10.85,
igr1=1712,1713,1714,
igr2=2139,2140,2141,
&end
#
# 79 VAL QG2 129 ILE QG1 5.50 (# 3533:20)
&rst
ixpk= 3533, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1330,1331,1332,
igr2=2136,2137,
&end
#
# 79 VAL QG2 129 ILE QG2 4.50 (# 1973:20)
&rst
ixpk= 1973, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1330,1331,1332,
igr2=2132,2133,2134,
&end
#
# 103 LYS HA 129 ILE QG2 5.50 (# 1970:20)
&rst
ixpk= 1970, nxpk= 20, iat=1720, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=2132,2133,2134,
&end
#
# 103 LYS QD 129 ILE QG2 5.50 (# 1974:20)
&rst
ixpk= 1974, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1728,1729,
igr2=2132,2133,2134,
&end
#
# 103 LYS QB 129 ILE QG2 3.50 (# 1975:20)
&rst
ixpk= 1975, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1722,1723,
igr2=2132,2133,2134,
&end
#
# 103 LYS QB 129 ILE QG2 3.50 (# 1976:20)
&rst
ixpk= 1976, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1722,1723,
igr2=2132,2133,2134,
&end
#
# 103 LYS QB 129 ILE QD1 4.50 (# 2239:20)
&rst
ixpk= 2239, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1722,1723,
igr2=2139,2140,2141,
&end
#
# 99 LEU HA 129 ILE QD1 5.50 (# 2241:20)
&rst
ixpk= 2241, nxpk= 20, iat=1658, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=2139,2140,2141,
&end
#
# 86 LEU QD2 129 ILE QG2 7.00 (# 2242:20)
&rst
ixpk= 2242, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.10, r4=10.85,
igr1=1451,1452,1453,
igr2=2132,2133,2134,
&end
#
# 102 LEU QB 129 ILE QG2 5.50 (# 2243:20)
&rst
ixpk= 2243, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1703,1704,
igr2=2132,2133,2134,
&end
#
# 99 LEU HA 129 ILE QG2 5.50 (# 2246:20)
&rst
ixpk= 2246, nxpk= 20, iat=1658, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=2132,2133,2134,
&end
#
# 100 ASP HA 129 ILE QG2 5.50 (# 2248:20)
&rst
ixpk= 2248, nxpk= 20, iat=1677, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=2132,2133,2134,
&end
#
# 129 ILE QG1 79 VAL HB 5.50 (# 2463:20)
&rst
ixpk= 2463, nxpk= 20, iat= -1,1324, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2136,2137,
&end
#
# 129 ILE QG2 79 VAL HA 7.00 (# 2891:20)
&rst
ixpk= 2891, nxpk= 20, iat= -1,1322, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1=2132,2133,2134,
&end
#
# 129 ILE HA 79 VAL QG2 5.50 (# 2897:20)
&rst
ixpk= 2897, nxpk= 20, iat=2128, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1330,1331,1332,
&end
#
# 129 ILE QG2 100 ASP HA 4.50 (# 3011:20)
&rst
ixpk= 3011, nxpk= 20, iat= -1,1677, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=2132,2133,2134,
&end
#
# 129 ILE HA 83 LEU QD2 5.50 (# 3284:20)
&rst
ixpk= 3284, nxpk= 20, iat=2128, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1411,1412,1413,
&end
#
# 129 ILE QD1 103 LYS QD 5.50 (# 3529:20)
&rst
ixpk= 3529, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2139,2140,2141,
igr2=1728,1729,
&end
#
# 129 ILE QG2 103 LYS QD 4.50 (# 3530:20)
&rst
ixpk= 3530, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=2132,2133,2134,
igr2=1728,1729,
&end
#
# 96 LEU QD2 133 ILE HN 5.50 (# 1204:10)
&rst
ixpk= 1204, nxpk= 10, iat= -1,2183, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1607,1608,1609,
&end
#
# 96 LEU QD2 133 ILE HA 3.50 (# 1982:20 L99?)
&rst
ixpk= 1982, nxpk= 20, iat= -1,2185, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1607,1608,1609,
&end
#
# 133 ILE QG1 96 LEU QD2 3.50 (# 1558:20)
&rst
ixpk= 1558, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2193,2194,
igr2=1607,1608,1609,
&end
#
# 133 ILE HA 96 LEU QD2 4.50 (# 1559:20)
&rst
ixpk= 1559, nxpk= 20, iat=2185, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1607,1608,1609,
&end
#
# 133 ILE HA 96 LEU QD2 4.50 (# 1568:20 L99?)
&rst
ixpk= 1568, nxpk= 20, iat=2185, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1607,1608,1609,
&end
#
# 133 ILE QG1 96 LEU QD2 3.50 (# 1571:20)
&rst
ixpk= 1571, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2193,2194,
igr2=1607,1608,1609,
&end
#
# 133 ILE QD1 96 LEU HA 4.50 (# 2979:20)
&rst
ixpk= 2979, nxpk= 20, iat= -1,1596, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=2196,2197,2198,
&end
#
# 133 ILE QG2 96 LEU HA 4.50 (# 2980:20)
&rst
ixpk= 2980, nxpk= 20, iat= -1,1596, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=2189,2190,2191,
&end
#
# 133 ILE HB 96 LEU QD2 4.50 (# 2995:20)
&rst
ixpk= 2995, nxpk= 20, iat=2187, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1607,1608,1609,
&end
#
# 96 LEU QD2 133 ILE QG1 5.50 (# 3535:20)
&rst
ixpk= 3535, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1607,1608,1609,
igr2=2193,2194,
&end
#
# 133 ILE QG2 99 LEU HN 5.50 (# vvv)
&rst
ixpk= 3535, nxpk= 20, iat= -1,1656, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=2189,2190,2191,
&end
#
# 133 ILE QD1 99 LEU HN 5.50 (# vvv)
&rst
ixpk= 3535, nxpk= 20, iat= -1,1656, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=2196,2197,2198,
&end
#
# 100 ASP HA 133 ILE QD1 4.50 (# 1994:20)
&rst
ixpk= 1994, nxpk= 20, iat=1677, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=2196,2197,2198,
&end
#
# 133 ILE QG1 100 ASP HA 3.50 (# 3013:20)
&rst
ixpk= 3013, nxpk= 20, iat= -1,1677, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2193,2194,
&end
#
# 96 LEU QD2 134 ALA HN 5.50 (# 1065:10)
&rst
ixpk= 1065, nxpk= 10, iat= -1,2202, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1607,1608,1609,
&end
#
# 96 LEU QD2 136 THR HN 5.50 (# 1207:10)
&rst
ixpk= 1207, nxpk= 10, iat= -1,2236, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1607,1608,1609,
&end
#
# 136 THR QG2 96 LEU QD2 3.50 (# 1555:20)
&rst
ixpk= 1555, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2242,2243,2244,
igr2=1607,1608,1609,
&end
#
# 136 THR HB 96 LEU QD2 3.50 (# 1561:20)
&rst
ixpk= 1561, nxpk= 20, iat=2240, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1607,1608,1609,
&end
#
# 95 SER QB 136 THR QG2 5.50 (# 2006:20)
&rst
ixpk= 2006, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1587,1588,
igr2=2242,2243,2244,
&end
#
# 92 PHE HA 136 THR QG2 7.00 (# 2007:20 v)
&rst
ixpk= 2007, nxpk= 20, iat=1538, -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr2=2242,2243,2244,
&end
#
# 92 PHE QB 136 THR QG2 4.50 (# 2010:20)
&rst
ixpk= 2010, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1540,1541,
igr2=2242,2243,2244,
&end
#
# 96 LEU HG 136 THR QG2 4.50 (# 2011:20)
&rst
ixpk= 2011, nxpk= 20, iat=1601, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=2242,2243,2244,
&end
#
# 96 LEU QD2 136 THR QG2 3.50 (# 2012:20)
&rst
ixpk= 2012, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1607,1608,1609,
igr2=2242,2243,2244,
&end
#
# 136 THR QG2 96 LEU HA 5.50 (# 2981:20)
&rst
ixpk= 2981, nxpk= 20, iat= -1,1596, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=2242,2243,2244,
&end
#
# 96 LEU QD2 136 THR HB 4.50 (# 3108:20)
&rst
ixpk= 3108, nxpk= 20, iat= -1,2240, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1607,1608,1609,
&end
#
# 96 LEU QB 136 THR QG2 4.50 (# 3114:20)
&rst
ixpk= 3114, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1598,1599,
igr2=2242,2243,2244,
&end
#
# 137 TYR HE 96 LEU QD2 4.50 (# 1562:20)
&rst
ixpk= 1562, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=2260,2265,
igr2=1607,1608,1609,
&end
#
# 137 TYR QD 96 LEU QD2 4.50 (# 1563:20)
&rst
ixpk= 1563, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=2258,2267,
igr2=1607,1608,1609,
&end
#
# 137 TYR HA 96 LEU QD2 4.50 (# 2987:20)
&rst
ixpk= 2987, nxpk= 20, iat=2252, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1607,1608,1609,
&end
Contact the webmaster for help, if required. Thursday, May 2, 2024 1:29:08 AM GMT (wattos1)