NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
489857 |
2l0g   |
cing | 1-original | 5 | AMBER | distance | NOE | ambi |
#
# 0 AMB 25-3:0 4 PHE HA 2.80 (# 0:25 Single Ambig)
&rst
ixpk= 0, nxpk= 25, iat= -1, 47, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr1= 66, 67, 49, 50,
&end
#
# 5 PRO HD+ 4 PHE HA 2.80 (# 1:25 Unique 2.33, 2.41 A)
&rst
ixpk= 1, nxpk= 25, iat= -1, 47, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 66, 67,
&end
#
# 4 PHE HD2 4 PHE HA 4.50 (# 2:25 Unique 2.15, 2.18 A)
&rst
ixpk= 2, nxpk= 25, iat= 61, 47, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 PHE HN 4 PHE HA 3.50 (# 3:25 Unique 2.81, 2.92 A)
&rst
ixpk= 3, nxpk= 25, iat= 45, 47, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 8 ILE QD1 4 PHE HB+ 4.50 (# 4:25 Unique 3.78, 5.06 A)
&rst
ixpk= 4, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 115, 116, 117,
igr2= 49, 50,
&end
#
# 0 AMB 25-3:5 0 AMB 25-1:5 5.50 (# 5:25 Double Ambig)
&rst
ixpk= 5, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 72, 73, 106,
igr2= 49, 50, 49, 50,
&end
#
# 0 AMB 25-3:6 0 AMB 25-1:6 5.50 (# 6:25 Double Ambig)
&rst
ixpk= 6, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
igr1= 39, 40, 41, 72, 73,
igr2= 49, 50, 49, 50,
&end
#
# 5 PRO HD+ 4 PHE HB+ 4.50 (# 7:25 Unique 2.03, 3.46 A)
&rst
ixpk= 7, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 66, 67,
igr2= 49, 50,
&end
#
# 4 PHE HA 4 PHE HB+ 3.50 (# 8:25 Unique 2.65, 2.82 A)
&rst
ixpk= 8, nxpk= 25, iat= 47, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 49, 50,
&end
#
# 0 AMB 25-3:9 0 AMB 25-1:9 3.50 (# 9:25 Double Ambig)
&rst
ixpk= 9, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 53, 61,
igr2= 49, 50, 49, 50,
&end
#
# 4 PHE HN 4 PHE HB+ 3.50 (# 10:25 Unique 2.21, 2.93 A)
&rst
ixpk= 10, nxpk= 25, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 49, 50,
&end
#
# 0 AMB 25-3:11 0 AMB 25-1:11 4.50 (# 11:25 Double Ambig)
&rst
ixpk= 11, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 245, 246, 247, 249, 250, 251, 245, 246, 247, 249,
250, 251,
igr2= 184, 185, 184, 185,
&end
#
# 8 ILE HB 0 AMB 25-1:12 4.50 (# 12:25 Single Ambig)
&rst
ixpk= 12, nxpk= 25, iat= 106, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 184, 185, 184, 185,
&end
#
# 0 AMB 25-3:13 0 AMB 25-1:13 4.50 (# 13:25 Double Ambig)
&rst
ixpk= 13, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.25, r4=10.75,
igr1= 72, 73, 140, 141, 140, 141, 140, 141, 137, 138,
137, 138, 151, 152,
igr2= 49, 50, 184, 185, 184, 185, 184, 185, 184, 185,
&end
#
# 12 VAL HB 0 AMB 25-1:14 5.50 (# 14:25 Single Ambig)
&rst
ixpk= 14, nxpk= 25, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 184, 185, 184, 185,
&end
#
# 3 MET HG+ 4 PHE HB- 5.50 (# 15:25 Unique 3.28, 5.95 A)
&rst
ixpk= 15, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 35, 36,
igr2= 49, 50,
&end
#
# 5 PRO HD+ 4 PHE HB- 3.50 (# 16:25 Unique 2.03, 3.46 A)
&rst
ixpk= 16, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 66, 67,
igr2= 49, 50,
&end
#
# 0 AMB 25-3:17 0 AMB 25-1:17 4.50 (# 17:25 Double Ambig)
&rst
ixpk= 17, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.39, r4= 8.89,
igr1= 83, 84, 166, 134, 135, 134, 135,
igr2= 49, 50, 184, 185, 184, 185,
&end
#
# 4 PHE HA 4 PHE HB- 3.50 (# 18:25 Unique 2.65, 2.82 A)
&rst
ixpk= 18, nxpk= 25, iat= 47, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 49, 50,
&end
#
# 9 ASP HA 0 AMB 25-1:19 5.50 (# 19:25 Single Ambig)
&rst
ixpk= 19, nxpk= 25, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 184, 185, 184, 185, 49, 50,
&end
#
# 14 TYR HA 0 AMB 25-1:20 5.50 (# 20:25 Single Ambig)
&rst
ixpk= 20, nxpk= 25, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 184, 185, 184, 185,
&end
#
# 0 AMB 25-3:21 0 AMB 25-1:21 3.50 (# 21:25 Double Ambig)
&rst
ixpk= 21, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 53, 61, 59, 55,
igr2= 49, 50, 184, 185, 184, 185,
&end
#
# 0 AMB 25-3:22 0 AMB 25-1:22 3.50 (# 22:25 Double Ambig)
&rst
ixpk= 22, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 59, 55, 61,
igr2= 184, 185, 184, 185, 184, 185,
&end
#
# 0 AMB 25-3:24 0 AMB 25-1:24 4.50 (# 24:25 Double Ambig)
&rst
ixpk= 24, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
igr1= 208, 322, 323, 217,
igr2= 184, 185, 184, 185, 184, 185, 184, 185,
&end
#
# 0 AMB 25-3:25 3 MET HA 3.50 (# 25:25 Single Ambig)
&rst
ixpk= 25, nxpk= 25, iat= -1, 30, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 32, 33, 32, 33,
&end
#
# 3 MET HG- 3 MET HA 4.50 (# 26:25 Unique 2.41, 3.07 A)
&rst
ixpk= 26, nxpk= 25, iat= -1, 30, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 35, 36,
&end
#
# 4 PHE HN 3 MET HA 3.50 (# 27:25 Unique 2.42, 3.34 A)
&rst
ixpk= 27, nxpk= 25, iat= 45, 30, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 22 LYS HD- 0 AMB 25-1:28 2.80 (# 28:25 Single Ambig)
&rst
ixpk= 28, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 337, 338,
igr2= 331, 332, 331, 332,
&end
#
# 0 AMB 25-3:29 0 AMB 25-1:29 2.80 (# 29:25 Double Ambig)
&rst
ixpk= 29, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 337, 338, 337, 338, 334, 335, 334, 335, 334, 335,
igr2= 331, 332, 331, 332, 331, 332, 331, 332,
&end
#
# 0 AMB 25-3:30 0 AMB 25-1:30 3.50 (# 30:25 Double Ambig)
&rst
ixpk= 30, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 35, 36, 35, 36, 356, 357,
igr2= 32, 33, 32, 33, 331, 332,
&end
#
# 0 AMB 25-3:31 0 AMB 25-1:31 4.50 (# 31:25 Double Ambig)
&rst
ixpk= 31, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 340, 341, 340, 341, 340, 341,
igr2= 331, 332, 331, 332, 331, 332,
&end
#
# 0 AMB 25-3:32 0 AMB 25-1:32 4.50 (# 32:25 Double Ambig)
&rst
ixpk= 32, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.63, r4=10.13,
igr1= 271, 6, 7, 6, 7, 6, 7, 296,
igr2= 331, 332, 331, 332, 32, 33, 32, 33, 32, 33,
331, 332,
&end
#
# 22 LYS HA 0 AMB 25-1:33 2.80 (# 33:25 Single Ambig)
&rst
ixpk= 33, nxpk= 25, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 331, 332, 331, 332,
&end
#
# 0 AMB 25-3:34 0 AMB 25-1:34 3.50 (# 34:25 Double Ambig)
&rst
ixpk= 34, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 286, 351,
igr2= 331, 332, 331, 332,
&end
#
# 23 GLU HN 0 AMB 25-1:35 3.50 (# 35:25 Single Ambig)
&rst
ixpk= 35, nxpk= 25, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 331, 332, 331, 332,
&end
#
# 22 LYS HN 0 AMB 25-1:36 2.80 (# 36:25 Single Ambig)
&rst
ixpk= 36, nxpk= 25, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 331, 332, 331, 332,
&end
#
# 0 AMB 25-3:37 0 AMB 25-1:37 3.50 (# 37:25 Double Ambig)
&rst
ixpk= 37, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 32, 33, 32, 33,
igr2= 35, 36, 35, 36,
&end
#
# 3 MET HA 3 MET HG+ 4.50 (# 38:25 Unique 2.41, 3.07 A)
&rst
ixpk= 38, nxpk= 25, iat= 30, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 35, 36,
&end
#
# 4 PHE HN 3 MET HG+ 5.50 (# 39:25 Unique 2.29, 3.86 A)
&rst
ixpk= 39, nxpk= 25, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 35, 36,
&end
#
# 3 MET HA 3 MET HG- 4.50 (# 40:25 Unique 2.41, 3.07 A)
&rst
ixpk= 40, nxpk= 25, iat= 30, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 35, 36,
&end
#
# 6 SER HN 6 SER HB+ 4.50 (# 41:25 Unique 3.14, 3.68 A)
&rst
ixpk= 41, nxpk= 25, iat= 79, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 83, 84,
&end
#
# 7 ASP HN 6 SER HB+ 5.50 (# 42:25 Unique 3.88, 4.14 A)
&rst
ixpk= 42, nxpk= 25, iat= 90, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 83, 84,
&end
#
# 6 SER HA 6 SER HB- 2.80 (# 43:25 Unique 2.32, 2.78 A)
&rst
ixpk= 43, nxpk= 25, iat= 81, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 83, 84,
&end
#
# 6 SER HN 6 SER HB- 4.50 (# 44:25 Unique 3.14, 3.68 A)
&rst
ixpk= 44, nxpk= 25, iat= 79, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 83, 84,
&end
#
# 7 ASP HN 6 SER HB- 5.50 (# 45:25 Unique 3.88, 4.14 A)
&rst
ixpk= 45, nxpk= 25, iat= 90, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 83, 84,
&end
#
# 6 SER HA 6 SER HB+ 2.80 (# 46:25 Unique 2.32, 2.78 A)
&rst
ixpk= 46, nxpk= 25, iat= 81, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 83, 84,
&end
#
# 8 ILE QG2 8 ILE HA 3.50 (# 47:25 Unique 2.09, 2.89 A)
&rst
ixpk= 47, nxpk= 25, iat= -1, 104, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 108, 109, 110,
&end
#
# 8 ILE HG1- 8 ILE HA 3.50 (# 48:25 Unique 3.57, 3.67 A)
&rst
ixpk= 48, nxpk= 25, iat= -1, 104, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 112, 113,
&end
#
# 8 ILE HG1+ 8 ILE HA 3.50 (# 49:25 Unique 3.57, 3.67 A)
&rst
ixpk= 49, nxpk= 25, iat= -1, 104, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 112, 113,
&end
#
# 8 ILE HB 8 ILE HA 3.50 (# 50:25 Unique 2.59, 2.60 A)
&rst
ixpk= 50, nxpk= 25, iat= 106, 104, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-3:51 8 ILE HA 5.50 (# 51:25 Single Ambig)
&rst
ixpk= 51, nxpk= 25, iat= -1, 104, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 125, 126, 94, 95,
&end
#
# 0 AMB 25-3:52 8 ILE HA 5.50 (# 52:25 Single Ambig)
&rst
ixpk= 52, nxpk= 25, iat= -1, 104, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 125, 126, 184, 185, 184, 185, 66, 67,
&end
#
# 0 AMB 25-3:53 14 TYR HA 2.80 (# 53:25 Single Ambig)
&rst
ixpk= 53, nxpk= 25, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 208, 322, 323,
&end
#
# 9 ASP HN 8 ILE HA 2.80 (# 54:25 Unique 2.14, 2.14 A)
&rst
ixpk= 54, nxpk= 25, iat= 121, 104, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 25-3:55 8 ILE HB 2.80 (# 55:25 Single Ambig)
&rst
ixpk= 55, nxpk= 25, iat= -1, 106, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 108, 109, 110, 115, 116, 117,
&end
#
# 8 ILE HG1- 8 ILE HB 3.50 (# 56:25 Unique 2.65, 2.82 A)
&rst
ixpk= 56, nxpk= 25, iat= -1, 106, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 112, 113,
&end
#
# 8 ILE HG1+ 8 ILE HB 3.50 (# 57:25 Unique 2.65, 2.82 A)
&rst
ixpk= 57, nxpk= 25, iat= -1, 106, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 112, 113,
&end
#
# 0 AMB 25-3:58 8 ILE HB 4.50 (# 58:25 Single Ambig)
&rst
ixpk= 58, nxpk= 25, iat= -1, 106, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 125, 126, 49, 50, 94, 95,
&end
#
# 0 AMB 25-3:59 8 ILE HB 3.50 (# 59:25 Single Ambig)
&rst
ixpk= 59, nxpk= 25, iat= -1, 106, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 184, 185, 184, 185,
&end
#
# 8 ILE HA 8 ILE HB 3.50 (# 60:25 Unique 2.59, 2.60 A)
&rst
ixpk= 60, nxpk= 25, iat= 104, 106, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 13 PHE HD1 8 ILE HB 5.50 (# 61:25 Unique 3.37, 3.42 A)
&rst
ixpk= 61, nxpk= 25, iat= 188, 106, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:62 8 ILE HB 5.50 (# 62:25 Single Ambig)
&rst
ixpk= 62, nxpk= 25, iat= -1, 106, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 442, 57,
&end
#
# 0 AMB 25-3:63 8 ILE HB 4.50 (# 63:25 Single Ambig)
&rst
ixpk= 63, nxpk= 25, iat= -1, 106, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 61, 59, 53,
&end
#
# 8 ILE HN 8 ILE HB 3.50 (# 64:25 Unique 3.63, 3.63 A)
&rst
ixpk= 64, nxpk= 25, iat= 102, 106, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 9 ASP HN 8 ILE HB 4.50 (# 65:25 Unique 3.44, 3.46 A)
&rst
ixpk= 65, nxpk= 25, iat= 121, 106, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:66 0 AMB 25-1:66 2.80 (# 66:25 Double Ambig)
&rst
ixpk= 66, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 108, 109, 110, 115, 116, 117,
igr2= 112, 113, 112, 113,
&end
#
# 8 ILE HB 8 ILE HG1+ 3.50 (# 67:25 Unique 2.65, 2.82 A)
&rst
ixpk= 67, nxpk= 25, iat= 106, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 112, 113,
&end
#
# 12 VAL HB 8 ILE HG1+ 5.50 (# 68:25 Unique 5.95, 6.25 A)
&rst
ixpk= 68, nxpk= 25, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 112, 113,
&end
#
# 0 AMB 25-3:69 0 AMB 25-1:69 5.50 (# 69:25 Double Ambig)
&rst
ixpk= 69, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 49, 50, 94, 95,
igr2= 112, 113, 112, 113,
&end
#
# 0 AMB 25-3:70 0 AMB 25-1:70 4.50 (# 70:25 Double Ambig)
&rst
ixpk= 70, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 66, 67, 49, 50,
igr2= 112, 113, 112, 113,
&end
#
# 8 ILE HA 8 ILE HG1+ 3.50 (# 71:25 Unique 3.57, 3.67 A)
&rst
ixpk= 71, nxpk= 25, iat= 104, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 112, 113,
&end
#
# 8 ILE HN 8 ILE HG1+ 4.50 (# 72:25 Unique 1.97, 2.23 A)
&rst
ixpk= 72, nxpk= 25, iat= 102, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 112, 113,
&end
#
# 9 ASP HN 8 ILE HG1+ 4.50 (# 73:25 Unique 4.68, 5.08 A)
&rst
ixpk= 73, nxpk= 25, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 112, 113,
&end
#
# 0 AMB 25-3:74 8 ILE HG1- 2.80 (# 74:25 Single Ambig)
&rst
ixpk= 74, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 108, 109, 110, 115, 116, 117,
igr2= 112, 113,
&end
#
# 8 ILE HB 8 ILE HG1- 3.50 (# 75:25 Unique 2.65, 2.82 A)
&rst
ixpk= 75, nxpk= 25, iat= 106, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 112, 113,
&end
#
# 12 VAL HB 8 ILE HG1- 5.50 (# 76:25 Unique 5.95, 6.25 A)
&rst
ixpk= 76, nxpk= 25, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 112, 113,
&end
#
# 0 AMB 25-3:77 8 ILE HG1- 4.50 (# 77:25 Single Ambig)
&rst
ixpk= 77, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 66, 67, 49, 50,
igr2= 112, 113,
&end
#
# 8 ILE HA 8 ILE HG1- 3.50 (# 78:25 Unique 3.57, 3.67 A)
&rst
ixpk= 78, nxpk= 25, iat= 104, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 112, 113,
&end
#
# 8 ILE HN 8 ILE HG1- 4.50 (# 79:25 Unique 1.97, 2.23 A)
&rst
ixpk= 79, nxpk= 25, iat= 102, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 112, 113,
&end
#
# 9 ASP HN 8 ILE HG1- 4.50 (# 80:25 Unique 4.68, 5.08 A)
&rst
ixpk= 80, nxpk= 25, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 112, 113,
&end
#
# 13 PHE HN 8 ILE HG1- 7.00 (# 81:25 Unique 5.69, 6.14 A)
&rst
ixpk= 81, nxpk= 25, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 112, 113,
&end
#
# 7 ASP HN 8 ILE HG1- 7.00 (# 82:25 Unique 3.30, 3.42 A)
&rst
ixpk= 82, nxpk= 25, iat= 90, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 112, 113,
&end
#
# 0 AMB 25-3:83 8 ILE HG1- 5.50 (# 83:25 Single Ambig)
&rst
ixpk= 83, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 49, 50, 94, 95,
igr2= 112, 113,
&end
#
# 8 ILE HG1- 8 ILE QG2 3.50 (# 84:25 Unique 2.08, 3.36 A)
&rst
ixpk= 84, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 112, 113,
igr2= 108, 109, 110,
&end
#
# 8 ILE HG1+ 8 ILE QG2 3.50 (# 85:25 Unique 2.08, 3.36 A)
&rst
ixpk= 85, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 112, 113,
igr2= 108, 109, 110,
&end
#
# 0 AMB 25-3:86 8 ILE QG2 4.50 (# 86:25 Single Ambig)
&rst
ixpk= 86, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 69, 70, 69, 70,
igr2= 108, 109, 110,
&end
#
# 8 ILE HB 8 ILE QG2 2.80 (# 87:25 Unique 2.22, 2.63 A)
&rst
ixpk= 87, nxpk= 25, iat= 106, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 108, 109, 110,
&end
#
# 5 PRO HB+ 8 ILE QG2 4.50 (# 88:25 Unique 5.45, 6.62 A)
&rst
ixpk= 88, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 72, 73,
igr2= 108, 109, 110,
&end
#
# 12 VAL HB 8 ILE QG2 4.50 (# 89:25 Unique 4.38, 5.21 A)
&rst
ixpk= 89, nxpk= 25, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 108, 109, 110,
&end
#
# 0 AMB 25-3:90 8 ILE QG2 4.50 (# 90:25 Single Ambig)
&rst
ixpk= 90, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 94, 95, 125, 126,
igr2= 108, 109, 110,
&end
#
# 0 AMB 25-3:91 8 ILE QG2 3.50 (# 91:25 Single Ambig)
&rst
ixpk= 91, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 184, 185, 184, 185, 66, 67, 125, 126,
igr2= 108, 109, 110,
&end
#
# 13 PHE HA 8 ILE QG2 4.50 (# 92:25 Unique 5.14, 6.08 A)
&rst
ixpk= 92, nxpk= 25, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 108, 109, 110,
&end
#
# 8 ILE HA 8 ILE QG2 3.50 (# 93:25 Unique 2.09, 2.89 A)
&rst
ixpk= 93, nxpk= 25, iat= 104, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 108, 109, 110,
&end
#
# 0 AMB 25-3:94 8 ILE QG2 4.50 (# 94:25 Single Ambig)
&rst
ixpk= 94, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 188, 444,
igr2= 108, 109, 110,
&end
#
# 28 TRP HH2 8 ILE QG2 4.50 (# 95:25 Unique 3.09, 4.30 A)
&rst
ixpk= 95, nxpk= 25, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 108, 109, 110,
&end
#
# 0 AMB 25-3:96 8 ILE QG2 4.50 (# 96:25 Single Ambig)
&rst
ixpk= 96, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 61, 59,
igr2= 108, 109, 110,
&end
#
# 13 PHE HE1 8 ILE QG2 5.50 (# 97:25 Unique 5.18, 5.85 A)
&rst
ixpk= 97, nxpk= 25, iat= 190, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 108, 109, 110,
&end
#
# 28 TRP HZ2 8 ILE QG2 4.50 (# 98:25 Unique 4.06, 5.14 A)
&rst
ixpk= 98, nxpk= 25, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 108, 109, 110,
&end
#
# 13 PHE HN 8 ILE QG2 4.50 (# 99:25 Unique 5.09, 5.89 A)
&rst
ixpk= 99, nxpk= 25, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 108, 109, 110,
&end
#
# 9 ASP HN 8 ILE QG2 4.50 (# 100:25 Unique 4.04, 4.67 A)
&rst
ixpk= 100, nxpk= 25, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 108, 109, 110,
&end
#
# 8 ILE HG1- 8 ILE QD1 2.80 (# 101:25 Unique 2.34, 2.62 A)
&rst
ixpk= 101, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 112, 113,
igr2= 115, 116, 117,
&end
#
# 8 ILE HG1+ 8 ILE QD1 2.80 (# 102:25 Unique 2.34, 2.62 A)
&rst
ixpk= 102, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 112, 113,
igr2= 115, 116, 117,
&end
#
# 0 AMB 25-3:103 8 ILE QD1 4.50 (# 103:25 Single Ambig)
&rst
ixpk= 103, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 69, 70, 69, 70,
igr2= 115, 116, 117,
&end
#
# 24 LEU HG 8 ILE QD1 4.50 (# 104:25 Unique 5.00, 5.81 A)
&rst
ixpk= 104, nxpk= 25, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 115, 116, 117,
&end
#
# 8 ILE HB 8 ILE QD1 3.50 (# 105:25 Unique 2.54, 2.95 A)
&rst
ixpk= 105, nxpk= 25, iat= 106, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 115, 116, 117,
&end
#
# 16 LEU HG 8 ILE QD1 5.50 (# 106:25 Unique 6.30, 6.90 A)
&rst
ixpk= 106, nxpk= 25, iat= 243, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 115, 116, 117,
&end
#
# 5 PRO HB+ 8 ILE QD1 5.50 (# 107:25 Unique 5.07, 6.08 A)
&rst
ixpk= 107, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 72, 73,
igr2= 115, 116, 117,
&end
#
# 12 VAL HB 8 ILE QD1 5.50 (# 108:25 Unique 5.32, 5.99 A)
&rst
ixpk= 108, nxpk= 25, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 115, 116, 117,
&end
#
# 0 AMB 25-3:109 8 ILE QD1 5.50 (# 109:25 Single Ambig)
&rst
ixpk= 109, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 49, 50, 94, 95,
igr2= 115, 116, 117,
&end
#
# 0 AMB 25-3:110 8 ILE QD1 3.50 (# 110:25 Single Ambig)
&rst
ixpk= 110, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 66, 67, 184, 185, 184, 185,
igr2= 115, 116, 117,
&end
#
# 0 AMB 25-3:111 8 ILE QD1 5.50 (# 111:25 Single Ambig)
&rst
ixpk= 111, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 182, 143,
igr2= 115, 116, 117,
&end
#
# 8 ILE HA 8 ILE QD1 4.50 (# 112:25 Unique 4.81, 5.06 A)
&rst
ixpk= 112, nxpk= 25, iat= 104, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 115, 116, 117,
&end
#
# 0 AMB 25-3:113 8 ILE QD1 4.50 (# 113:25 Single Ambig)
&rst
ixpk= 113, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 188, 444,
igr2= 115, 116, 117,
&end
#
# 28 TRP HH2 8 ILE QD1 5.50 (# 114:25 Unique 2.00, 2.60 A)
&rst
ixpk= 114, nxpk= 25, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 115, 116, 117,
&end
#
# 0 AMB 25-3:115 8 ILE QD1 4.50 (# 115:25 Single Ambig)
&rst
ixpk= 115, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 61, 59,
igr2= 115, 116, 117,
&end
#
# 13 PHE HE1 8 ILE QD1 5.50 (# 116:25 Unique 3.10, 3.70 A)
&rst
ixpk= 116, nxpk= 25, iat= 190, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 115, 116, 117,
&end
#
# 28 TRP HZ2 8 ILE QD1 4.50 (# 117:25 Unique 3.57, 4.65 A)
&rst
ixpk= 117, nxpk= 25, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 115, 116, 117,
&end
#
# 9 ASP HN 8 ILE QD1 5.50 (# 118:25 Unique 5.55, 6.12 A)
&rst
ixpk= 118, nxpk= 25, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 115, 116, 117,
&end
#
# 8 ILE QD1 10 PRO HA 5.50 (# 119:25 Unique 5.14, 6.24 A)
&rst
ixpk= 119, nxpk= 25, iat= -1, 143, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 115, 116, 117,
&end
#
# 10 PRO HG- 10 PRO HA 4.50 (# 120:25 Unique 3.85, 3.94 A)
&rst
ixpk= 120, nxpk= 25, iat= -1, 143, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 137, 138,
&end
#
# 10 PRO HB- 10 PRO HA 3.50 (# 121:25 Unique 2.30, 2.51 A)
&rst
ixpk= 121, nxpk= 25, iat= -1, 143, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 140, 141,
&end
#
# 10 PRO HB+ 10 PRO HA 3.50 (# 122:25 Unique 2.30, 2.51 A)
&rst
ixpk= 122, nxpk= 25, iat= -1, 143, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 140, 141,
&end
#
# 0 AMB 25-3:123 10 PRO HA 3.50 (# 123:25 Single Ambig)
&rst
ixpk= 123, nxpk= 25, iat= -1, 143, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 184, 185, 184, 185,
&end
#
# 0 AMB 25-3:124 10 PRO HA 5.50 (# 124:25 Single Ambig)
&rst
ixpk= 124, nxpk= 25, iat= -1, 143, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 196, 188,
&end
#
# 0 AMB 25-3:125 10 PRO HA 4.50 (# 125:25 Single Ambig)
&rst
ixpk= 125, nxpk= 25, iat= -1, 143, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 55, 53,
&end
#
# 12 VAL HN 10 PRO HA 4.50 (# 126:25 Unique 4.46, 4.48 A)
&rst
ixpk= 126, nxpk= 25, iat= 164, 143, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 13 PHE HN 10 PRO HA 4.50 (# 127:25 Unique 4.00, 4.01 A)
&rst
ixpk= 127, nxpk= 25, iat= 180, 143, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 11 GLN HN 10 PRO HA 4.50 (# 128:25 Unique 3.56, 3.56 A)
&rst
ixpk= 128, nxpk= 25, iat= 147, 143, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:129 20 VAL HB 4.50 (# 129:25 Single Ambig)
&rst
ixpk= 129, nxpk= 25, iat= -1, 298, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 245, 246, 247, 249, 250, 251, 368, 369,
&end
#
# 0 AMB 25-3:130 0 AMB 25-1:130 3.50 (# 130:25 Double Ambig)
&rst
ixpk= 130, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1= 245, 246, 247, 249, 250, 251, 373, 374, 375, 377,
378, 379, 115, 116, 117,
igr2= 298, 72, 73,
&end
#
# 20 VAL QG- 20 VAL HB 2.80 (# 131:25 Unique 2.28, 2.63 A)
&rst
ixpk= 131, nxpk= 25, iat= -1, 298, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 300, 301, 302, 304, 305, 306,
&end
#
# 0 AMB 25-3:132 0 AMB 25-1:132 2.80 (# 132:25 Double Ambig)
&rst
ixpk= 132, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 69, 70, 69, 70,
igr2= 72, 73, 72, 73,
&end
#
# 5 PRO HD- 5 PRO HB+ 4.50 (# 133:25 Unique 2.98, 3.70 A)
&rst
ixpk= 133, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 66, 67,
igr2= 72, 73,
&end
#
# 17 PRO HD- 20 VAL HB 3.50 (# 134:25 Unique 2.10, 3.04 A)
&rst
ixpk= 134, nxpk= 25, iat= -1, 298, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 256, 257,
&end
#
# 20 VAL HA 20 VAL HB 3.50 (# 135:25 Unique 3.01, 3.02 A)
&rst
ixpk= 135, nxpk= 25, iat= 296, 298, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 5 PRO HA 5 PRO HB+ 3.50 (# 136:25 Unique 2.30, 2.51 A)
&rst
ixpk= 136, nxpk= 25, iat= 75, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 72, 73,
&end
#
# 0 AMB 25-3:137 20 VAL HB 4.50 (# 137:25 Single Ambig)
&rst
ixpk= 137, nxpk= 25, iat= -1, 298, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 238, 265,
&end
#
# 20 VAL HN 20 VAL HB 3.50 (# 138:25 Unique 2.44, 2.51 A)
&rst
ixpk= 138, nxpk= 25, iat= 294, 298, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 21 GLN HN 20 VAL HB 3.50 (# 139:25 Unique 2.67, 2.81 A)
&rst
ixpk= 139, nxpk= 25, iat= 310, 298, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 11 GLN HN 11 GLN HA 3.50 (# 140:25 Unique 2.82, 2.82 A)
&rst
ixpk= 140, nxpk= 25, iat= 147, 149, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-3:141 0 AMB 25-1:141 4.50 (# 141:25 Double Ambig)
&rst
ixpk= 141, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 200, 497,
igr2= 149, 414,
&end
#
# 14 TYR HB+ 11 GLN HA 4.50 (# 142:25 Unique 2.43, 3.21 A)
&rst
ixpk= 142, nxpk= 25, iat= -1, 149, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 204, 205,
&end
#
# 14 TYR HB- 11 GLN HA 4.50 (# 143:25 Unique 2.43, 3.21 A)
&rst
ixpk= 143, nxpk= 25, iat= -1, 149, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 204, 205,
&end
#
# 11 GLN HG- 11 GLN HA 3.50 (# 144:25 Unique 2.41, 2.69 A)
&rst
ixpk= 144, nxpk= 25, iat= -1, 149, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 154, 155,
&end
#
# 0 AMB 25-3:145 0 AMB 25-1:145 2.80 (# 145:25 Double Ambig)
&rst
ixpk= 145, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 353, 354, 353, 354, 151, 152, 151, 152,
igr2= 351, 149,
&end
#
# 0 AMB 25-3:146 0 AMB 25-1:146 4.50 (# 146:25 Double Ambig)
&rst
ixpk= 146, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 170, 171, 172, 174, 175, 176, 170, 171, 172, 174,
175, 176,
igr2= 151, 152, 151, 152,
&end
#
# 0 AMB 25-3:147 0 AMB 25-1:147 3.50 (# 147:25 Double Ambig)
&rst
ixpk= 147, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 317, 318, 170, 171, 172, 174, 175, 176,
igr2= 314, 315, 151, 152, 151, 152,
&end
#
# 0 AMB 25-3:148 21 GLN HB- 4.50 (# 148:25 Single Ambig)
&rst
ixpk= 148, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 240, 241, 368, 369, 334, 335, 334, 335,
igr2= 314, 315,
&end
#
# 11 GLN HG- 0 AMB 25-1:149 2.80 (# 149:25 Single Ambig)
&rst
ixpk= 149, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 154, 155,
igr2= 151, 152, 151, 152,
&end
#
# 21 GLN HA 21 GLN HB- 4.50 (# 150:25 Unique 2.56, 2.82 A)
&rst
ixpk= 150, nxpk= 25, iat= 312, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 314, 315,
&end
#
# 0 AMB 25-3:151 0 AMB 25-1:151 3.50 (# 151:25 Double Ambig)
&rst
ixpk= 151, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 271, 166,
igr2= 314, 315, 151, 152,
&end
#
# 11 GLN HA 0 AMB 25-1:152 3.50 (# 152:25 Single Ambig)
&rst
ixpk= 152, nxpk= 25, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 151, 152, 151, 152,
&end
#
# 0 AMB 25-3:153 21 GLN HB- 4.50 (# 153:25 Single Ambig)
&rst
ixpk= 153, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 194, 192,
igr2= 314, 315,
&end
#
# 12 VAL HN 0 AMB 25-1:154 3.50 (# 154:25 Single Ambig)
&rst
ixpk= 154, nxpk= 25, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 151, 152, 151, 152,
&end
#
# 21 GLN HN 21 GLN HB- 3.50 (# 155:25 Unique 2.08, 2.84 A)
&rst
ixpk= 155, nxpk= 25, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 314, 315,
&end
#
# 22 LYS HN 21 GLN HB- 3.50 (# 156:25 Unique 2.63, 3.07 A)
&rst
ixpk= 156, nxpk= 25, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 314, 315,
&end
#
# 11 GLN HN 0 AMB 25-1:157 2.80 (# 157:25 Single Ambig)
&rst
ixpk= 157, nxpk= 25, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 151, 152, 151, 152,
&end
#
# 11 GLN HN 11 GLN HG+ 4.50 (# 158:25 Unique 1.97, 3.48 A)
&rst
ixpk= 158, nxpk= 25, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 154, 155,
&end
#
# 11 GLN HN 11 GLN HG- 4.50 (# 159:25 Unique 1.97, 3.48 A)
&rst
ixpk= 159, nxpk= 25, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 154, 155,
&end
#
# 11 GLN HE2- 11 GLN HG+ 4.50 (# 160:25 Unique 2.34, 3.38 A)
&rst
ixpk= 160, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 159, 160,
igr2= 154, 155,
&end
#
# 11 GLN HE2- 11 GLN HG- 4.50 (# 161:25 Unique 2.34, 3.38 A)
&rst
ixpk= 161, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 159, 160,
igr2= 154, 155,
&end
#
# 11 GLN HE2+ 11 GLN HG+ 5.50 (# 162:25 Unique 2.34, 3.38 A)
&rst
ixpk= 162, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 159, 160,
igr2= 154, 155,
&end
#
# 11 GLN HE2+ 11 GLN HG- 5.50 (# 163:25 Unique 2.34, 3.38 A)
&rst
ixpk= 163, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 159, 160,
igr2= 154, 155,
&end
#
# 11 GLN HA 11 GLN HG+ 4.50 (# 164:25 Unique 2.41, 2.69 A)
&rst
ixpk= 164, nxpk= 25, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 154, 155,
&end
#
# 11 GLN HA 11 GLN HG- 4.50 (# 165:25 Unique 2.41, 2.69 A)
&rst
ixpk= 165, nxpk= 25, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 154, 155,
&end
#
# 10 PRO HD+ 11 GLN HG- 5.50 (# 166:25 Unique 3.18, 6.25 A)
&rst
ixpk= 166, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 134, 135,
igr2= 154, 155,
&end
#
# 14 TYR HB- 11 GLN HG- 5.50 (# 167:25 Unique 4.43, 5.42 A)
&rst
ixpk= 167, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 204, 205,
igr2= 154, 155,
&end
#
# 0 AMB 25-3:168 11 GLN HG- 2.80 (# 168:25 Single Ambig)
&rst
ixpk= 168, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 151, 152, 151, 152,
igr2= 154, 155,
&end
#
# 0 AMB 25-3:169 0 AMB 25-1:169 2.80 (# 169:25 Double Ambig)
&rst
ixpk= 169, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 151, 152, 151, 152,
igr2= 154, 155, 154, 155,
&end
#
# 12 VAL QG- 11 GLN HG+ 5.50 (# 170:25 Unique 2.52, 7.67 A)
&rst
ixpk= 170, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 170, 171, 172, 174, 175, 176,
igr2= 154, 155,
&end
#
# 12 VAL QG- 11 GLN HG- 5.50 (# 171:25 Unique 2.52, 7.67 A)
&rst
ixpk= 171, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 170, 171, 172, 174, 175, 176,
igr2= 154, 155,
&end
#
# 0 AMB 25-3:172 0 AMB 25-1:172 3.50 (# 172:25 Double Ambig)
&rst
ixpk= 172, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 170, 171, 172, 174, 175, 176, 300, 301, 302, 304,
305, 306,
igr2= 166, 296,
&end
#
# 20 VAL QG- 20 VAL HA 2.80 (# 173:25 Unique 2.50, 3.11 A)
&rst
ixpk= 173, nxpk= 25, iat= -1, 296, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 300, 301, 302, 304, 305, 306,
&end
#
# 19 ALA QB 20 VAL HA 4.50 (# 174:25 Unique 3.73, 4.69 A)
&rst
ixpk= 174, nxpk= 25, iat= -1, 296, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 288, 289, 290,
&end
#
# 0 AMB 25-3:175 20 VAL HA 5.50 (# 175:25 Single Ambig)
&rst
ixpk= 175, nxpk= 25, iat= -1, 296, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 368, 369, 371, 240, 241,
&end
#
# 0 AMB 25-3:176 20 VAL HA 5.50 (# 176:25 Single Ambig)
&rst
ixpk= 176, nxpk= 25, iat= -1, 296, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 331, 332, 331, 332,
&end
#
# 0 AMB 25-3:177 20 VAL HA 3.50 (# 177:25 Single Ambig)
&rst
ixpk= 177, nxpk= 25, iat= -1, 296, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 353, 354, 353, 354,
&end
#
# 0 AMB 25-3:178 0 AMB 25-1:178 4.50 (# 178:25 Double Ambig)
&rst
ixpk= 178, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 225, 226, 298,
igr2= 166, 296,
&end
#
# 0 AMB 25-3:179 12 VAL HA 3.50 (# 179:25 Single Ambig)
&rst
ixpk= 179, nxpk= 25, iat= -1, 166, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 225, 226, 168,
&end
#
# 0 AMB 25-3:180 20 VAL HA 4.50 (# 180:25 Single Ambig)
&rst
ixpk= 180, nxpk= 25, iat= -1, 296, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 286, 351,
&end
#
# 19 ALA HA 20 VAL HA 4.50 (# 181:25 Unique 4.79, 4.79 A)
&rst
ixpk= 181, nxpk= 25, iat= 286, 296, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:182 12 VAL HA 5.50 (# 182:25 Single Ambig)
&rst
ixpk= 182, nxpk= 25, iat= -1, 166, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 223, 202,
&end
#
# 20 VAL HN 20 VAL HA 3.50 (# 183:25 Unique 2.75, 2.77 A)
&rst
ixpk= 183, nxpk= 25, iat= 294, 296, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 12 VAL HN 12 VAL HA 3.50 (# 184:25 Unique 2.79, 2.80 A)
&rst
ixpk= 184, nxpk= 25, iat= 164, 166, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 GLU HN 20 VAL HA 4.50 (# 185:25 Unique 3.56, 3.61 A)
&rst
ixpk= 185, nxpk= 25, iat= 349, 296, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 GLN HN 20 VAL HA 4.50 (# 186:25 Unique 3.48, 3.51 A)
&rst
ixpk= 186, nxpk= 25, iat= 310, 296, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 24 LEU HN 20 VAL HA 4.50 (# 187:25 Unique 3.78, 3.84 A)
&rst
ixpk= 187, nxpk= 25, iat= 364, 296, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:188 12 VAL HB 4.50 (# 188:25 Single Ambig)
&rst
ixpk= 188, nxpk= 25, iat= -1, 168, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 108, 109, 110, 115, 116, 117,
&end
#
# 12 VAL QG+ 12 VAL HB 2.80 (# 189:25 Unique 2.35, 2.63 A)
&rst
ixpk= 189, nxpk= 25, iat= -1, 168, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 170, 171, 172, 174, 175, 176,
&end
#
# 12 VAL QG- 12 VAL HB 2.80 (# 190:25 Unique 2.35, 2.63 A)
&rst
ixpk= 190, nxpk= 25, iat= -1, 168, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 170, 171, 172, 174, 175, 176,
&end
#
# 8 ILE HG1+ 12 VAL HB 5.50 (# 191:25 Unique 5.95, 6.25 A)
&rst
ixpk= 191, nxpk= 25, iat= -1, 168, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 112, 113,
&end
#
# 8 ILE HB 12 VAL HB 4.50 (# 192:25 Unique 3.56, 3.58 A)
&rst
ixpk= 192, nxpk= 25, iat= 106, 168, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 9 ASP HB- 12 VAL HB 4.50 (# 193:25 Unique 2.93, 3.60 A)
&rst
ixpk= 193, nxpk= 25, iat= -1, 168, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 125, 126,
&end
#
# 0 AMB 25-3:194 12 VAL HB 3.50 (# 194:25 Single Ambig)
&rst
ixpk= 194, nxpk= 25, iat= -1, 168, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 125, 126, 184, 185, 184, 185,
&end
#
# 12 VAL HA 12 VAL HB 3.50 (# 195:25 Unique 3.02, 3.02 A)
&rst
ixpk= 195, nxpk= 25, iat= 166, 168, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 9 ASP HA 12 VAL HB 5.50 (# 196:25 Unique 4.83, 4.92 A)
&rst
ixpk= 196, nxpk= 25, iat= 123, 168, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 VAL HN 12 VAL HB 3.50 (# 197:25 Unique 2.57, 2.64 A)
&rst
ixpk= 197, nxpk= 25, iat= 164, 168, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 13 PHE HN 12 VAL HB 3.50 (# 198:25 Unique 2.10, 2.12 A)
&rst
ixpk= 198, nxpk= 25, iat= 180, 168, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 9 ASP HN 12 VAL HB 4.50 (# 199:25 Unique 3.40, 3.46 A)
&rst
ixpk= 199, nxpk= 25, iat= 121, 168, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 16 LEU QD+ 12 VAL QG+ 3.50 (# 200:25 Unique 3.25, 6.83 A)
&rst
ixpk= 200, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 245, 246, 247, 249, 250, 251,
igr2= 170, 171, 172, 174, 175, 176,
&end
#
# 0 AMB 25-3:201 0 AMB 25-1:201 4.50 (# 201:25 Double Ambig)
&rst
ixpk= 201, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 243, 225, 226,
igr2= 170, 171, 172, 174, 175, 176, 170, 171, 172, 174,
175, 176,
&end
#
# 12 VAL HB 12 VAL QG+ 2.80 (# 202:25 Unique 2.35, 2.63 A)
&rst
ixpk= 202, nxpk= 25, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 170, 171, 172, 174, 175, 176,
&end
#
# 9 ASP HB+ 12 VAL QG+ 4.50 (# 203:25 Unique 2.00, 4.31 A)
&rst
ixpk= 203, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 125, 126,
igr2= 170, 171, 172, 174, 175, 176,
&end
#
# 12 VAL HA 12 VAL QG+ 3.50 (# 204:25 Unique 2.44, 3.11 A)
&rst
ixpk= 204, nxpk= 25, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 170, 171, 172, 174, 175, 176,
&end
#
# 0 AMB 25-3:205 0 AMB 25-1:205 4.50 (# 205:25 Double Ambig)
&rst
ixpk= 205, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 182, 134, 135,
igr2= 170, 171, 172, 174, 175, 176, 170, 171, 172, 174,
175, 176,
&end
#
# 12 VAL HN 12 VAL QG+ 4.50 (# 206:25 Unique 1.94, 3.69 A)
&rst
ixpk= 206, nxpk= 25, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 170, 171, 172, 174, 175, 176,
&end
#
# 13 PHE HN 12 VAL QG+ 4.50 (# 207:25 Unique 3.19, 4.19 A)
&rst
ixpk= 207, nxpk= 25, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 170, 171, 172, 174, 175, 176,
&end
#
# 21 GLN HN 20 VAL QG- 4.50 (# 208:25 Unique 3.42, 4.62 A)
&rst
ixpk= 208, nxpk= 25, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 300, 301, 302, 304, 305, 306,
&end
#
# 20 VAL HN 20 VAL QG- 4.50 (# 209:25 Unique 2.10, 3.78 A)
&rst
ixpk= 209, nxpk= 25, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 300, 301, 302, 304, 305, 306,
&end
#
# 20 VAL HA 20 VAL QG- 3.50 (# 210:25 Unique 2.50, 3.11 A)
&rst
ixpk= 210, nxpk= 25, iat= 296, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 300, 301, 302, 304, 305, 306,
&end
#
# 17 PRO HD- 20 VAL QG- 4.50 (# 211:25 Unique 2.45, 4.51 A)
&rst
ixpk= 211, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 256, 257,
igr2= 300, 301, 302, 304, 305, 306,
&end
#
# 20 VAL HB 20 VAL QG- 2.80 (# 212:25 Unique 2.28, 2.63 A)
&rst
ixpk= 212, nxpk= 25, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 300, 301, 302, 304, 305, 306,
&end
#
# 24 LEU HG 20 VAL QG- 3.50 (# 213:25 Unique 2.69, 4.83 A)
&rst
ixpk= 213, nxpk= 25, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 300, 301, 302, 304, 305, 306,
&end
#
# 0 AMB 25-3:214 20 VAL QG- 2.80 (# 214:25 Single Ambig)
&rst
ixpk= 214, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 245, 246, 247, 249, 250, 251, 373, 374, 375, 377,
378, 379,
igr2= 300, 301, 302, 304, 305, 306,
&end
#
# 16 LEU QD+ 13 PHE HA 3.50 (# 215:25 Unique 2.05, 3.57 A)
&rst
ixpk= 215, nxpk= 25, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 245, 246, 247, 249, 250, 251,
&end
#
# 16 LEU QD- 13 PHE HA 3.50 (# 216:25 Unique 2.05, 3.57 A)
&rst
ixpk= 216, nxpk= 25, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 245, 246, 247, 249, 250, 251,
&end
#
# 16 LEU HB+ 13 PHE HA 4.50 (# 217:25 Unique 3.58, 4.10 A)
&rst
ixpk= 217, nxpk= 25, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 240, 241,
&end
#
# 16 LEU HG 13 PHE HA 3.50 (# 218:25 Unique 1.99, 2.01 A)
&rst
ixpk= 218, nxpk= 25, iat= 243, 182, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-3:219 13 PHE HA 2.80 (# 219:25 Single Ambig)
&rst
ixpk= 219, nxpk= 25, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 184, 185, 184, 185,
&end
#
# 0 AMB 25-3:220 13 PHE HA 3.50 (# 220:25 Single Ambig)
&rst
ixpk= 220, nxpk= 25, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 188, 196,
&end
#
# 0 AMB 25-3:221 13 PHE HA 4.50 (# 221:25 Single Ambig)
&rst
ixpk= 221, nxpk= 25, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 236, 221,
&end
#
# 13 PHE HN 13 PHE HA 3.50 (# 222:25 Unique 2.78, 2.78 A)
&rst
ixpk= 222, nxpk= 25, iat= 180, 182, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 13 PHE HN 0 AMB 25-1:223 2.80 (# 223:25 Single Ambig)
&rst
ixpk= 223, nxpk= 25, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 184, 185, 184, 185,
&end
#
# 0 AMB 25-3:224 0 AMB 25-1:224 4.50 (# 224:25 Double Ambig)
&rst
ixpk= 224, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 164, 102,
igr2= 184, 185, 184, 185, 184, 185,
&end
#
# 0 AMB 25-3:225 0 AMB 25-1:225 4.50 (# 225:25 Double Ambig)
&rst
ixpk= 225, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 194, 190, 192,
igr2= 184, 185, 184, 185, 184, 185,
&end
#
# 4 PHE HZ 0 AMB 25-1:226 4.50 (# 226:25 Single Ambig)
&rst
ixpk= 226, nxpk= 25, iat= 57, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 184, 185, 184, 185,
&end
#
# 0 AMB 25-3:227 0 AMB 25-1:227 2.80 (# 227:25 Double Ambig)
&rst
ixpk= 227, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 196, 188,
igr2= 184, 185, 184, 185, 184, 185,
&end
#
# 0 AMB 25-3:228 0 AMB 25-1:228 2.80 (# 228:25 Double Ambig)
&rst
ixpk= 228, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 182, 143,
igr2= 184, 185, 184, 185,
&end
#
# 0 AMB 25-3:229 0 AMB 25-1:229 4.50 (# 229:25 Double Ambig)
&rst
ixpk= 229, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64,
igr1= 243, 317, 318, 317, 318, 140, 141,
igr2= 184, 185, 184, 185, 184, 185, 184, 185, 49, 50,
&end
#
# 8 ILE QD1 0 AMB 25-1:230 3.50 (# 230:25 Single Ambig)
&rst
ixpk= 230, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 115, 116, 117,
igr2= 184, 185, 184, 185,
&end
#
# 14 TYR HB- 14 TYR HA 3.50 (# 231:25 Unique 2.61, 2.81 A)
&rst
ixpk= 231, nxpk= 25, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 204, 205,
&end
#
# 14 TYR HB+ 14 TYR HA 3.50 (# 232:25 Unique 2.61, 2.81 A)
&rst
ixpk= 232, nxpk= 25, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 204, 205,
&end
#
# 0 AMB 25-3:233 14 TYR HA 3.50 (# 233:25 Single Ambig)
&rst
ixpk= 233, nxpk= 25, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 322, 323, 196,
&end
#
# 0 AMB 25-3:234 14 TYR HA 2.80 (# 234:25 Single Ambig)
&rst
ixpk= 234, nxpk= 25, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 208, 322, 323,
&end
#
# 0 AMB 25-3:235 14 TYR HA 3.50 (# 235:25 Single Ambig)
&rst
ixpk= 235, nxpk= 25, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 221, 236,
&end
#
# 14 TYR HN 14 TYR HA 3.50 (# 236:25 Unique 2.78, 2.78 A)
&rst
ixpk= 236, nxpk= 25, iat= 200, 202, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 14 TYR HN 14 TYR HB+ 3.50 (# 237:25 Unique 2.23, 2.90 A)
&rst
ixpk= 237, nxpk= 25, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 204, 205,
&end
#
# 15 GLU HN 14 TYR HB+ 4.50 (# 238:25 Unique 2.92, 3.24 A)
&rst
ixpk= 238, nxpk= 25, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 204, 205,
&end
#
# 0 AMB 25-3:239 0 AMB 25-1:239 3.50 (# 239:25 Double Ambig)
&rst
ixpk= 239, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 217, 208,
igr2= 204, 205, 204, 205,
&end
#
# 0 AMB 25-3:240 0 AMB 25-1:240 5.50 (# 240:25 Double Ambig)
&rst
ixpk= 240, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 215, 210, 57,
igr2= 204, 205, 204, 205, 204, 205,
&end
#
# 0 AMB 25-3:241 0 AMB 25-1:241 5.50 (# 241:25 Double Ambig)
&rst
ixpk= 241, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 322, 323, 196,
igr2= 204, 205, 204, 205,
&end
#
# 14 TYR HA 14 TYR HB+ 3.50 (# 243:25 Unique 2.61, 2.81 A)
&rst
ixpk= 243, nxpk= 25, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 204, 205,
&end
#
# 11 GLN HA 14 TYR HB+ 4.50 (# 244:25 Unique 2.43, 3.21 A)
&rst
ixpk= 244, nxpk= 25, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 204, 205,
&end
#
# 0 AMB 25-3:245 0 AMB 25-1:245 5.50 (# 245:25 Double Ambig)
&rst
ixpk= 245, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 154, 155, 228, 229, 228, 229,
igr2= 204, 205, 204, 205, 204, 205,
&end
#
# 0 AMB 25-3:246 14 TYR HB- 5.50 (# 246:25 Single Ambig)
&rst
ixpk= 246, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 228, 229, 228, 229,
igr2= 204, 205,
&end
#
# 10 PRO HA 14 TYR HB- 5.50 (# 247:25 Unique 4.66, 5.43 A)
&rst
ixpk= 247, nxpk= 25, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 204, 205,
&end
#
# 11 GLN HA 14 TYR HB- 4.50 (# 248:25 Unique 2.43, 3.21 A)
&rst
ixpk= 248, nxpk= 25, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 204, 205,
&end
#
# 14 TYR HA 14 TYR HB- 3.50 (# 249:25 Unique 2.61, 2.81 A)
&rst
ixpk= 249, nxpk= 25, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 204, 205,
&end
#
# 0 AMB 25-3:250 14 TYR HB- 5.50 (# 250:25 Single Ambig)
&rst
ixpk= 250, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 322, 323, 196,
igr2= 204, 205,
&end
#
# 0 AMB 25-3:251 14 TYR HB- 5.50 (# 251:25 Single Ambig)
&rst
ixpk= 251, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 215, 210, 57,
igr2= 204, 205,
&end
#
# 4 PHE HE1 14 TYR HB- 5.50 (# 252:25 Unique 6.23, 6.70 A)
&rst
ixpk= 252, nxpk= 25, iat= 55, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 204, 205,
&end
#
# 0 AMB 25-3:253 14 TYR HB- 2.80 (# 253:25 Single Ambig)
&rst
ixpk= 253, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 217, 208,
igr2= 204, 205,
&end
#
# 15 GLU HN 14 TYR HB- 4.50 (# 254:25 Unique 2.92, 3.24 A)
&rst
ixpk= 254, nxpk= 25, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 204, 205,
&end
#
# 14 TYR HN 14 TYR HB- 3.50 (# 255:25 Unique 2.23, 2.90 A)
&rst
ixpk= 255, nxpk= 25, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 204, 205,
&end
#
# 0 AMB 25-3:256 15 GLU HA 3.50 (# 256:25 Single Ambig)
&rst
ixpk= 256, nxpk= 25, iat= -1, 223, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 221, 236,
&end
#
# 15 GLU HB+ 15 GLU HA 3.50 (# 257:25 Unique 2.25, 2.80 A)
&rst
ixpk= 257, nxpk= 25, iat= -1, 223, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 225, 226,
&end
#
# 15 GLU HB- 15 GLU HA 3.50 (# 258:25 Unique 2.25, 2.80 A)
&rst
ixpk= 258, nxpk= 25, iat= -1, 223, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 225, 226,
&end
#
# 16 LEU QD+ 16 LEU HA 5.50 (# 259:25 Unique 1.99, 3.79 A)
&rst
ixpk= 259, nxpk= 25, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 245, 246, 247, 249, 250, 251,
&end
#
# 16 LEU QD- 16 LEU HA 2.80 (# 260:25 Unique 1.99, 3.79 A)
&rst
ixpk= 260, nxpk= 25, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 245, 246, 247, 249, 250, 251,
&end
#
# 16 LEU HB- 16 LEU HA 3.50 (# 261:25 Unique 2.41, 2.71 A)
&rst
ixpk= 261, nxpk= 25, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 240, 241,
&end
#
# 16 LEU HB+ 16 LEU HA 3.50 (# 262:25 Unique 2.41, 2.71 A)
&rst
ixpk= 262, nxpk= 25, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 240, 241,
&end
#
# 0 AMB 25-3:263 16 LEU HA 3.50 (# 263:25 Single Ambig)
&rst
ixpk= 263, nxpk= 25, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 243, 317, 318,
&end
#
# 0 AMB 25-3:264 16 LEU HA 4.50 (# 264:25 Single Ambig)
&rst
ixpk= 264, nxpk= 25, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 259, 260, 259, 260,
&end
#
# 17 PRO HD- 16 LEU HA 2.80 (# 265:25 Unique 2.30, 2.35 A)
&rst
ixpk= 265, nxpk= 25, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 256, 257,
&end
#
# 17 PRO HD+ 16 LEU HA 2.80 (# 266:25 Unique 2.30, 2.35 A)
&rst
ixpk= 266, nxpk= 25, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 256, 257,
&end
#
# 16 LEU HN 16 LEU HA 3.50 (# 267:25 Unique 2.85, 2.86 A)
&rst
ixpk= 267, nxpk= 25, iat= 236, 238, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 16 LEU HN 16 LEU HB- 4.50 (# 268:25 Unique 2.53, 3.07 A)
&rst
ixpk= 268, nxpk= 25, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 240, 241,
&end
#
# 21 GLN HN 16 LEU HB- 5.50 (# 269:25 Unique 3.75, 4.13 A)
&rst
ixpk= 269, nxpk= 25, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 240, 241,
&end
#
# 21 GLN HE2- 16 LEU HB- 5.50 (# 270:25 Unique 2.97, 5.09 A)
&rst
ixpk= 270, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 322, 323,
igr2= 240, 241,
&end
#
# 20 VAL HN 16 LEU HB- 5.50 (# 271:25 Unique 4.51, 5.21 A)
&rst
ixpk= 271, nxpk= 25, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 240, 241,
&end
#
# 16 LEU HA 16 LEU HB- 3.50 (# 272:25 Unique 2.41, 2.71 A)
&rst
ixpk= 272, nxpk= 25, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 240, 241,
&end
#
# 17 PRO HD+ 16 LEU HB- 3.50 (# 273:25 Unique 1.94, 3.36 A)
&rst
ixpk= 273, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 256, 257,
igr2= 240, 241,
&end
#
# 0 AMB 25-3:274 16 LEU HB- 7.00 (# 274:25 Single Ambig)
&rst
ixpk= 274, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 296, 271, 166,
igr2= 240, 241,
&end
#
# 21 GLN HA 16 LEU HB- 5.50 (# 275:25 Unique 3.90, 4.31 A)
&rst
ixpk= 275, nxpk= 25, iat= 312, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 240, 241,
&end
#
# 17 PRO HD- 16 LEU HB- 3.50 (# 276:25 Unique 1.94, 3.36 A)
&rst
ixpk= 276, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 256, 257,
igr2= 240, 241,
&end
#
# 20 VAL HB 16 LEU HB- 3.50 (# 278:25 Unique 2.23, 3.06 A)
&rst
ixpk= 278, nxpk= 25, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 240, 241,
&end
#
# 0 AMB 25-3:279 16 LEU HB- 3.50 (# 279:25 Single Ambig)
&rst
ixpk= 279, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 317, 318, 243,
igr2= 240, 241,
&end
#
# 16 LEU QD- 16 LEU HB- 3.50 (# 280:25 Unique 2.31, 3.29 A)
&rst
ixpk= 280, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 245, 246, 247, 249, 250, 251,
igr2= 240, 241,
&end
#
# 16 LEU QD+ 16 LEU HB- 3.50 (# 281:25 Unique 2.31, 3.29 A)
&rst
ixpk= 281, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 245, 246, 247, 249, 250, 251,
igr2= 240, 241,
&end
#
# 0 AMB 25-3:282 0 AMB 25-1:282 2.80 (# 282:25 Double Ambig)
&rst
ixpk= 282, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 317, 318, 243,
igr2= 240, 241, 240, 241,
&end
#
# 14 TYR HB- 16 LEU HB+ 5.50 (# 283:25 Unique 6.73, 7.53 A)
&rst
ixpk= 283, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 204, 205,
igr2= 240, 241,
&end
#
# 17 PRO HD- 16 LEU HB+ 4.50 (# 284:25 Unique 1.94, 3.36 A)
&rst
ixpk= 284, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 256, 257,
igr2= 240, 241,
&end
#
# 21 GLN HA 0 AMB 25-1:285 4.50 (# 285:25 Single Ambig)
&rst
ixpk= 285, nxpk= 25, iat= 312, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 368, 369, 240, 241,
&end
#
# 24 LEU HA 24 LEU HB+ 3.50 (# 286:25 Unique 2.63, 2.81 A)
&rst
ixpk= 286, nxpk= 25, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 368, 369,
&end
#
# 17 PRO HD+ 16 LEU HB+ 4.50 (# 287:25 Unique 1.94, 3.36 A)
&rst
ixpk= 287, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 256, 257,
igr2= 240, 241,
&end
#
# 0 AMB 25-3:288 0 AMB 25-1:288 5.50 (# 288:25 Double Ambig)
&rst
ixpk= 288, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 202, 223,
igr2= 240, 241, 240, 241,
&end
#
# 16 LEU HA 16 LEU HB+ 3.50 (# 289:25 Unique 2.41, 2.71 A)
&rst
ixpk= 289, nxpk= 25, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 240, 241,
&end
#
# 0 AMB 25-3:290 0 AMB 25-1:290 4.50 (# 290:25 Double Ambig)
&rst
ixpk= 290, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 444, 322, 323, 196,
igr2= 368, 369, 240, 241, 240, 241,
&end
#
# 28 TRP HH2 24 LEU HB+ 5.50 (# 291:25 Unique 3.03, 4.28 A)
&rst
ixpk= 291, nxpk= 25, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 368, 369,
&end
#
# 0 AMB 25-3:292 0 AMB 25-1:292 3.50 (# 292:25 Double Ambig)
&rst
ixpk= 292, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 192, 190,
igr2= 368, 369, 368, 369,
&end
#
# 0 AMB 25-3:293 0 AMB 25-1:293 4.50 (# 293:25 Double Ambig)
&rst
ixpk= 293, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 294, 59, 61,
igr2= 240, 241, 368, 369, 368, 369, 368, 369,
&end
#
# 0 AMB 25-3:294 0 AMB 25-1:294 4.50 (# 294:25 Double Ambig)
&rst
ixpk= 294, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 322, 323, 440,
igr2= 240, 241, 368, 369,
&end
#
# 16 LEU HN 16 LEU HB+ 3.50 (# 295:25 Unique 2.53, 3.07 A)
&rst
ixpk= 295, nxpk= 25, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 240, 241,
&end
#
# 0 AMB 25-3:296 0 AMB 25-1:296 4.50 (# 296:25 Double Ambig)
&rst
ixpk= 296, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 310, 412,
igr2= 240, 241, 368, 369, 368, 369,
&end
#
# 24 LEU HN 24 LEU HB+ 3.50 (# 297:25 Unique 2.21, 2.88 A)
&rst
ixpk= 297, nxpk= 25, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 368, 369,
&end
#
# 16 LEU HN 16 LEU HG 3.50 (# 298:25 Unique 2.21, 2.25 A)
&rst
ixpk= 298, nxpk= 25, iat= 236, 243, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 16 LEU HA 16 LEU HG 4.50 (# 299:25 Unique 3.25, 3.29 A)
&rst
ixpk= 299, nxpk= 25, iat= 238, 243, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 13 PHE HA 16 LEU HG 3.50 (# 300:25 Unique 1.99, 2.01 A)
&rst
ixpk= 300, nxpk= 25, iat= 182, 243, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 12 VAL HA 16 LEU HG 5.50 (# 301:25 Unique 4.83, 4.90 A)
&rst
ixpk= 301, nxpk= 25, iat= 166, 243, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 LEU HB- 16 LEU HG 4.50 (# 302:25 Unique 2.41, 2.72 A)
&rst
ixpk= 302, nxpk= 25, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 240, 241,
&end
#
# 16 LEU QD- 16 LEU HG 3.50 (# 303:25 Unique 2.22, 2.63 A)
&rst
ixpk= 303, nxpk= 25, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 245, 246, 247, 249, 250, 251,
&end
#
# 0 AMB 25-3:304 0 AMB 25-1:304 2.80 (# 304:25 Double Ambig)
&rst
ixpk= 304, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1= 300, 301, 302, 304, 305, 306, 170, 171, 172, 174,
175, 176,
igr2= 245, 246, 247, 249, 250, 251, 245, 246, 247, 249,
250, 251,
&end
#
# 0 AMB 25-3:305 0 AMB 25-1:305 3.50 (# 305:25 Double Ambig)
&rst
ixpk= 305, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 240, 241, 317, 318,
igr2= 245, 246, 247, 249, 250, 251, 245, 246, 247, 249,
250, 251,
&end
#
# 16 LEU HB+ 16 LEU QD+ 3.50 (# 306:25 Unique 2.31, 3.29 A)
&rst
ixpk= 306, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 240, 241,
igr2= 245, 246, 247, 249, 250, 251,
&end
#
# 16 LEU HG 16 LEU QD+ 2.80 (# 307:25 Unique 2.22, 2.63 A)
&rst
ixpk= 307, nxpk= 25, iat= 243, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 245, 246, 247, 249, 250, 251,
&end
#
# 0 AMB 25-3:308 0 AMB 25-1:308 4.50 (# 308:25 Double Ambig)
&rst
ixpk= 308, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 184, 185, 184, 185,
igr2= 245, 246, 247, 249, 250, 251, 245, 246, 247, 249,
250, 251,
&end
#
# 17 PRO HD- 16 LEU QD+ 5.50 (# 309:25 Unique 2.79, 4.77 A)
&rst
ixpk= 309, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 256, 257,
igr2= 245, 246, 247, 249, 250, 251,
&end
#
# 21 GLN HA 16 LEU QD+ 5.50 (# 310:25 Unique 3.41, 5.88 A)
&rst
ixpk= 310, nxpk= 25, iat= 312, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 245, 246, 247, 249, 250, 251,
&end
#
# 0 AMB 25-3:311 0 AMB 25-1:311 3.50 (# 311:25 Double Ambig)
&rst
ixpk= 311, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 182, 256, 257,
igr2= 245, 246, 247, 249, 250, 251, 245, 246, 247, 249,
250, 251,
&end
#
# 0 AMB 25-3:312 0 AMB 25-1:312 5.50 (# 312:25 Double Ambig)
&rst
ixpk= 312, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 223, 202,
igr2= 245, 246, 247, 249, 250, 251, 245, 246, 247, 249,
250, 251,
&end
#
# 16 LEU HA 16 LEU QD+ 4.50 (# 313:25 Unique 1.99, 3.79 A)
&rst
ixpk= 313, nxpk= 25, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 245, 246, 247, 249, 250, 251,
&end
#
# 0 AMB 25-3:314 0 AMB 25-1:314 4.50 (# 314:25 Double Ambig)
&rst
ixpk= 314, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 188, 196,
igr2= 245, 246, 247, 249, 250, 251, 245, 246, 247, 249,
250, 251,
&end
#
# 0 AMB 25-3:315 0 AMB 25-1:315 5.50 (# 315:25 Double Ambig)
&rst
ixpk= 315, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 59, 294,
igr2= 245, 246, 247, 249, 250, 251, 245, 246, 247, 249,
250, 251,
&end
#
# 0 AMB 25-3:316 0 AMB 25-1:316 5.50 (# 316:25 Double Ambig)
&rst
ixpk= 316, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
igr1= 190, 192, 194,
igr2= 245, 246, 247, 249, 250, 251, 245, 246, 247, 249,
250, 251, 245, 246, 247, 249, 250, 251,
&end
#
# 21 GLN HE2- 16 LEU QD+ 5.50 (# 317:25 Unique 4.64, 7.50 A)
&rst
ixpk= 317, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 322, 323,
igr2= 245, 246, 247, 249, 250, 251,
&end
#
# 0 AMB 25-3:318 0 AMB 25-1:318 4.50 (# 318:25 Double Ambig)
&rst
ixpk= 318, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 236, 221,
igr2= 245, 246, 247, 249, 250, 251, 245, 246, 247, 249,
250, 251,
&end
#
# 13 PHE HN 16 LEU QD+ 5.50 (# 319:25 Unique 4.55, 5.88 A)
&rst
ixpk= 319, nxpk= 25, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 245, 246, 247, 249, 250, 251,
&end
#
# 16 LEU HA 16 LEU QD- 2.80 (# 320:25 Unique 1.99, 3.79 A)
&rst
ixpk= 320, nxpk= 25, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 245, 246, 247, 249, 250, 251,
&end
#
# 0 AMB 25-3:321 16 LEU QD- 3.50 (# 321:25 Single Ambig)
&rst
ixpk= 321, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 182, 256, 257,
igr2= 245, 246, 247, 249, 250, 251,
&end
#
# 17 PRO HD- 16 LEU QD- 3.50 (# 322:25 Unique 2.79, 4.77 A)
&rst
ixpk= 322, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 256, 257,
igr2= 245, 246, 247, 249, 250, 251,
&end
#
# 16 LEU HG 16 LEU QD- 2.80 (# 323:25 Unique 2.22, 2.63 A)
&rst
ixpk= 323, nxpk= 25, iat= 243, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 245, 246, 247, 249, 250, 251,
&end
#
# 16 LEU HB+ 16 LEU QD- 3.50 (# 324:25 Unique 2.31, 3.29 A)
&rst
ixpk= 324, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 240, 241,
igr2= 245, 246, 247, 249, 250, 251,
&end
#
# 0 AMB 25-3:325 16 LEU QD- 2.80 (# 325:25 Single Ambig)
&rst
ixpk= 325, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 300, 301, 302, 304, 305, 306, 240, 241,
igr2= 245, 246, 247, 249, 250, 251,
&end
#
# 17 PRO HB- 17 PRO HA 3.50 (# 326:25 Unique 2.30, 2.51 A)
&rst
ixpk= 326, nxpk= 25, iat= -1, 265, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 262, 263,
&end
#
# 0 AMB 25-3:327 17 PRO HA 3.50 (# 327:25 Single Ambig)
&rst
ixpk= 327, nxpk= 25, iat= -1, 265, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 259, 260, 259, 260, 273, 274,
&end
#
# 17 PRO HB+ 17 PRO HA 2.80 (# 328:25 Unique 2.30, 2.51 A)
&rst
ixpk= 328, nxpk= 25, iat= -1, 265, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 262, 263,
&end
#
# 17 PRO HD- 17 PRO HA 4.50 (# 329:25 Unique 3.60, 3.85 A)
&rst
ixpk= 329, nxpk= 25, iat= -1, 265, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 256, 257,
&end
#
# 18 GLU HA 17 PRO HA 4.50 (# 330:25 Unique 4.31, 4.31 A)
&rst
ixpk= 330, nxpk= 25, iat= 271, 265, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 17 PRO HD+ 17 PRO HA 4.50 (# 331:25 Unique 3.60, 3.85 A)
&rst
ixpk= 331, nxpk= 25, iat= -1, 265, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 256, 257,
&end
#
# 18 GLU HN 17 PRO HA 2.80 (# 332:25 Unique 2.39, 2.46 A)
&rst
ixpk= 332, nxpk= 25, iat= 269, 265, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 18 GLU HN 17 PRO HB+ 4.50 (# 333:25 Unique 2.45, 2.92 A)
&rst
ixpk= 333, nxpk= 25, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 262, 263,
&end
#
# 20 VAL HN 17 PRO HB+ 4.50 (# 334:25 Unique 3.28, 4.03 A)
&rst
ixpk= 334, nxpk= 25, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 262, 263,
&end
#
# 17 PRO HA 17 PRO HB+ 2.80 (# 335:25 Unique 2.30, 2.51 A)
&rst
ixpk= 335, nxpk= 25, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 262, 263,
&end
#
# 17 PRO HD+ 17 PRO HB+ 4.50 (# 336:25 Unique 2.98, 3.70 A)
&rst
ixpk= 336, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 256, 257,
igr2= 262, 263,
&end
#
# 12 VAL HA 0 AMB 25-1:337 5.50 (# 337:25 Single Ambig)
&rst
ixpk= 337, nxpk= 25, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 228, 229, 228, 229,
&end
#
# 17 PRO HD- 17 PRO HB+ 4.50 (# 338:25 Unique 2.98, 3.70 A)
&rst
ixpk= 338, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 256, 257,
igr2= 262, 263,
&end
#
# 0 AMB 25-3:339 0 AMB 25-1:339 2.80 (# 339:25 Double Ambig)
&rst
ixpk= 339, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 259, 260, 259, 260,
igr2= 262, 263, 262, 263,
&end
#
# 19 ALA QB 17 PRO HB+ 5.50 (# 340:25 Unique 3.03, 4.91 A)
&rst
ixpk= 340, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 288, 289, 290,
igr2= 262, 263,
&end
#
# 0 AMB 25-3:341 0 AMB 25-1:341 4.50 (# 341:25 Double Ambig)
&rst
ixpk= 341, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.30, r4=10.80,
igr1= 170, 171, 172, 174, 175, 176, 300, 301, 302, 304,
305, 306, 300, 301, 302, 304, 305, 306,
igr2= 228, 229, 228, 229, 262, 263, 262, 263,
&end
#
# 0 AMB 25-3:342 17 PRO HB- 3.50 (# 342:25 Single Ambig)
&rst
ixpk= 342, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 300, 301, 302, 304, 305, 306, 300, 301, 302, 304,
305, 306,
igr2= 262, 263,
&end
#
# 19 ALA QB 17 PRO HB- 4.50 (# 343:25 Unique 3.03, 4.91 A)
&rst
ixpk= 343, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 288, 289, 290,
igr2= 262, 263,
&end
#
# 0 AMB 25-3:344 17 PRO HB- 2.80 (# 344:25 Single Ambig)
&rst
ixpk= 344, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 259, 260, 259, 260,
igr2= 262, 263,
&end
#
# 17 PRO HD- 17 PRO HB- 3.50 (# 345:25 Unique 2.98, 3.70 A)
&rst
ixpk= 345, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 256, 257,
igr2= 262, 263,
&end
#
# 0 AMB 25-3:346 17 PRO HB- 5.50 (# 346:25 Single Ambig)
&rst
ixpk= 346, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 271, 296,
igr2= 262, 263,
&end
#
# 17 PRO HD+ 17 PRO HB- 4.50 (# 347:25 Unique 2.98, 3.70 A)
&rst
ixpk= 347, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 256, 257,
igr2= 262, 263,
&end
#
# 17 PRO HA 17 PRO HB- 3.50 (# 348:25 Unique 2.30, 2.51 A)
&rst
ixpk= 348, nxpk= 25, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 262, 263,
&end
#
# 20 VAL HN 17 PRO HB- 3.50 (# 349:25 Unique 3.28, 4.03 A)
&rst
ixpk= 349, nxpk= 25, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 262, 263,
&end
#
# 21 GLN HN 17 PRO HB- 5.50 (# 350:25 Unique 4.59, 5.28 A)
&rst
ixpk= 350, nxpk= 25, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 262, 263,
&end
#
# 19 ALA HN 17 PRO HB- 4.50 (# 351:25 Unique 2.33, 3.27 A)
&rst
ixpk= 351, nxpk= 25, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 262, 263,
&end
#
# 18 GLU HN 0 AMB 25-1:352 5.50 (# 352:25 Single Ambig)
&rst
ixpk= 352, nxpk= 25, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 259, 260, 259, 260,
&end
#
# 20 VAL HN 0 AMB 25-1:353 5.50 (# 353:25 Single Ambig)
&rst
ixpk= 353, nxpk= 25, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 259, 260, 259, 260,
&end
#
# 0 AMB 25-3:354 0 AMB 25-1:354 3.50 (# 354:25 Double Ambig)
&rst
ixpk= 354, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 265, 238,
igr2= 259, 260, 259, 260, 259, 260,
&end
#
# 0 AMB 25-3:355 0 AMB 25-1:355 2.80 (# 355:25 Double Ambig)
&rst
ixpk= 355, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 256, 257, 256, 257,
igr2= 259, 260, 259, 260,
&end
#
# 17 PRO HD- 0 AMB 25-1:356 2.80 (# 356:25 Single Ambig)
&rst
ixpk= 356, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 256, 257,
igr2= 259, 260, 259, 260,
&end
#
# 0 AMB 25-3:357 0 AMB 25-1:357 2.80 (# 357:25 Double Ambig)
&rst
ixpk= 357, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 262, 263, 262, 263,
igr2= 259, 260, 259, 260,
&end
#
# 17 PRO HB- 0 AMB 25-1:359 2.80 (# 359:25 Single Ambig)
&rst
ixpk= 359, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 262, 263,
igr2= 259, 260, 259, 260,
&end
#
# 0 AMB 25-3:360 0 AMB 25-1:360 2.80 (# 360:25 Double Ambig)
&rst
ixpk= 360, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 300, 301, 302, 304, 305, 306, 300, 301, 302, 304,
305, 306,
igr2= 259, 260, 259, 260,
&end
#
# 16 LEU QD- 0 AMB 25-1:361 4.50 (# 361:25 Single Ambig)
&rst
ixpk= 361, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 245, 246, 247, 249, 250, 251,
igr2= 259, 260, 259, 260,
&end
#
# 19 ALA QB 0 AMB 25-1:362 4.50 (# 362:25 Single Ambig)
&rst
ixpk= 362, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 288, 289, 290,
igr2= 259, 260, 259, 260,
&end
#
# 16 LEU QD+ 17 PRO HD+ 5.50 (# 363:25 Unique 2.79, 4.77 A)
&rst
ixpk= 363, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 245, 246, 247, 249, 250, 251,
igr2= 256, 257,
&end
#
# 16 LEU QD- 17 PRO HD+ 3.50 (# 364:25 Unique 2.79, 4.77 A)
&rst
ixpk= 364, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 245, 246, 247, 249, 250, 251,
igr2= 256, 257,
&end
#
# 0 AMB 25-3:365 0 AMB 25-1:365 3.50 (# 365:25 Double Ambig)
&rst
ixpk= 365, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 300, 301, 302, 304, 305, 306, 300, 301, 302, 304,
305, 306,
igr2= 256, 257, 256, 257,
&end
#
# 16 LEU HB- 17 PRO HD+ 3.50 (# 366:25 Unique 1.94, 3.36 A)
&rst
ixpk= 366, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 240, 241,
igr2= 256, 257,
&end
#
# 19 ALA QB 17 PRO HD+ 5.50 (# 367:25 Unique 5.34, 6.74 A)
&rst
ixpk= 367, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 288, 289, 290,
igr2= 256, 257,
&end
#
# 17 PRO HB- 17 PRO HD+ 4.50 (# 368:25 Unique 2.98, 3.70 A)
&rst
ixpk= 368, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 262, 263,
igr2= 256, 257,
&end
#
# 0 AMB 25-3:369 0 AMB 25-1:369 2.80 (# 369:25 Double Ambig)
&rst
ixpk= 369, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 259, 260, 259, 260,
igr2= 256, 257, 256, 257,
&end
#
# 17 PRO HB+ 17 PRO HD+ 4.50 (# 370:25 Unique 2.98, 3.70 A)
&rst
ixpk= 370, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 262, 263,
igr2= 256, 257,
&end
#
# 16 LEU HA 17 PRO HD+ 2.80 (# 371:25 Unique 2.30, 2.35 A)
&rst
ixpk= 371, nxpk= 25, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 256, 257,
&end
#
# 20 VAL HN 17 PRO HD+ 5.50 (# 372:25 Unique 3.76, 4.40 A)
&rst
ixpk= 372, nxpk= 25, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 256, 257,
&end
#
# 16 LEU HN 17 PRO HD+ 5.50 (# 373:25 Unique 4.77, 4.92 A)
&rst
ixpk= 373, nxpk= 25, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 256, 257,
&end
#
# 21 GLN HN 17 PRO HD- 5.50 (# 374:25 Unique 4.11, 5.04 A)
&rst
ixpk= 374, nxpk= 25, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 256, 257,
&end
#
# 16 LEU HN 17 PRO HD- 5.50 (# 375:25 Unique 4.77, 4.92 A)
&rst
ixpk= 375, nxpk= 25, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 256, 257,
&end
#
# 20 VAL HN 17 PRO HD- 4.50 (# 376:25 Unique 3.76, 4.40 A)
&rst
ixpk= 376, nxpk= 25, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 256, 257,
&end
#
# 16 LEU HA 17 PRO HD- 2.80 (# 377:25 Unique 2.30, 2.35 A)
&rst
ixpk= 377, nxpk= 25, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 256, 257,
&end
#
# 0 AMB 25-3:378 17 PRO HD- 5.50 (# 378:25 Single Ambig)
&rst
ixpk= 378, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 223, 202,
igr2= 256, 257,
&end
#
# 0 AMB 25-3:379 17 PRO HD- 4.50 (# 379:25 Single Ambig)
&rst
ixpk= 379, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 296, 271,
igr2= 256, 257,
&end
#
# 17 PRO HB+ 17 PRO HD- 4.50 (# 380:25 Unique 2.98, 3.70 A)
&rst
ixpk= 380, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 262, 263,
igr2= 256, 257,
&end
#
# 0 AMB 25-3:381 17 PRO HD- 2.80 (# 381:25 Single Ambig)
&rst
ixpk= 381, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 259, 260, 259, 260,
igr2= 256, 257,
&end
#
# 20 VAL HB 17 PRO HD- 3.50 (# 382:25 Unique 2.10, 3.04 A)
&rst
ixpk= 382, nxpk= 25, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 256, 257,
&end
#
# 17 PRO HB- 17 PRO HD- 3.50 (# 383:25 Unique 2.98, 3.70 A)
&rst
ixpk= 383, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 262, 263,
igr2= 256, 257,
&end
#
# 16 LEU HB- 17 PRO HD- 3.50 (# 384:25 Unique 1.94, 3.36 A)
&rst
ixpk= 384, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 240, 241,
igr2= 256, 257,
&end
#
# 0 AMB 25-3:385 17 PRO HD- 3.50 (# 385:25 Single Ambig)
&rst
ixpk= 385, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 300, 301, 302, 304, 305, 306, 300, 301, 302, 304,
305, 306,
igr2= 256, 257,
&end
#
# 16 LEU QD- 17 PRO HD- 3.50 (# 386:25 Unique 2.79, 4.77 A)
&rst
ixpk= 386, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 245, 246, 247, 249, 250, 251,
igr2= 256, 257,
&end
#
# 16 LEU QD+ 17 PRO HD- 5.50 (# 387:25 Unique 2.79, 4.77 A)
&rst
ixpk= 387, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 245, 246, 247, 249, 250, 251,
igr2= 256, 257,
&end
#
# 0 AMB 25-3:388 18 GLU HA 5.50 (# 388:25 Single Ambig)
&rst
ixpk= 388, nxpk= 25, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 317, 318, 240, 241,
&end
#
# 0 AMB 25-3:389 18 GLU HA 5.50 (# 389:25 Single Ambig)
&rst
ixpk= 389, nxpk= 25, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 337, 338, 334, 335, 334, 335,
&end
#
# 0 AMB 25-3:390 18 GLU HA 3.50 (# 390:25 Single Ambig)
&rst
ixpk= 390, nxpk= 25, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 314, 315, 317, 318,
&end
#
# 0 AMB 25-3:391 18 GLU HA 2.80 (# 391:25 Single Ambig)
&rst
ixpk= 391, nxpk= 25, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 273, 274, 314, 315,
&end
#
# 18 GLU HG+ 18 GLU HA 4.50 (# 392:25 Unique 2.28, 2.96 A)
&rst
ixpk= 392, nxpk= 25, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 276, 277,
&end
#
# 18 GLU HG- 18 GLU HA 4.50 (# 393:25 Unique 2.28, 2.96 A)
&rst
ixpk= 393, nxpk= 25, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 276, 277,
&end
#
# 19 ALA HA 18 GLU HA 4.50 (# 394:25 Unique 4.78, 4.79 A)
&rst
ixpk= 394, nxpk= 25, iat= 286, 271, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 17 PRO HA 18 GLU HA 5.50 (# 395:25 Unique 4.31, 4.31 A)
&rst
ixpk= 395, nxpk= 25, iat= 265, 271, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 VAL HN 18 GLU HA 5.50 (# 396:25 Unique 5.07, 5.10 A)
&rst
ixpk= 396, nxpk= 25, iat= 294, 271, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 GLN HE2- 18 GLU HA 4.50 (# 397:25 Unique 3.12, 4.60 A)
&rst
ixpk= 397, nxpk= 25, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 322, 323,
&end
#
# 21 GLN HN 18 GLU HA 4.50 (# 398:25 Unique 3.67, 3.70 A)
&rst
ixpk= 398, nxpk= 25, iat= 310, 271, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 18 GLU HN 18 GLU HA 3.50 (# 399:25 Unique 2.80, 2.82 A)
&rst
ixpk= 399, nxpk= 25, iat= 269, 271, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 18 GLU HN 18 GLU HB- 3.50 (# 400:25 Unique 2.34, 2.53 A)
&rst
ixpk= 400, nxpk= 25, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 273, 274,
&end
#
# 18 GLU HA 18 GLU HB- 3.50 (# 401:25 Unique 2.38, 2.72 A)
&rst
ixpk= 401, nxpk= 25, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 273, 274,
&end
#
# 18 GLU HG+ 18 GLU HB- 3.50 (# 402:25 Unique 2.23, 2.72 A)
&rst
ixpk= 402, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 276, 277,
igr2= 273, 274,
&end
#
# 0 AMB 25-3:403 18 GLU HB- 4.50 (# 403:25 Single Ambig)
&rst
ixpk= 403, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 337, 338, 288, 289, 290,
igr2= 273, 274,
&end
#
# 20 VAL QG- 23 GLU HB+ 4.50 (# 404:25 Unique 4.10, 6.01 A)
&rst
ixpk= 404, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 300, 301, 302, 304, 305, 306,
igr2= 353, 354,
&end
#
# 0 AMB 25-3:405 0 AMB 25-1:405 2.80 (# 405:25 Double Ambig)
&rst
ixpk= 405, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 271, 366, 296,
igr2= 273, 274, 416, 417, 416, 417, 353, 354,
&end
#
# 27 GLU HA 0 AMB 25-1:406 2.80 (# 406:25 Single Ambig)
&rst
ixpk= 406, nxpk= 25, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 416, 417, 416, 417,
&end
#
# 23 GLU HA 23 GLU HB- 3.50 (# 407:25 Unique 2.40, 2.79 A)
&rst
ixpk= 407, nxpk= 25, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 353, 354,
&end
#
# 20 VAL QG- 23 GLU HB- 4.50 (# 408:25 Unique 4.10, 6.01 A)
&rst
ixpk= 408, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 300, 301, 302, 304, 305, 306,
igr2= 353, 354,
&end
#
# 0 AMB 25-3:409 23 GLU HB- 5.50 (# 409:25 Single Ambig)
&rst
ixpk= 409, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 373, 374, 375, 377, 378, 379, 373, 374, 375, 377,
378, 379,
igr2= 353, 354,
&end
#
# 23 GLU HN 23 GLU HB- 3.50 (# 410:25 Unique 2.07, 2.77 A)
&rst
ixpk= 410, nxpk= 25, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 353, 354,
&end
#
# 23 GLU HN 23 GLU HB+ 3.50 (# 411:25 Unique 2.07, 2.77 A)
&rst
ixpk= 411, nxpk= 25, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 353, 354,
&end
#
# 27 GLU HN 0 AMB 25-1:412 2.80 (# 412:25 Single Ambig)
&rst
ixpk= 412, nxpk= 25, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 416, 417, 416, 417,
&end
#
# 24 LEU HN 23 GLU HB- 3.50 (# 413:25 Unique 2.21, 2.85 A)
&rst
ixpk= 413, nxpk= 25, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 353, 354,
&end
#
# 24 LEU HN 23 GLU HB+ 3.50 (# 414:25 Unique 2.21, 2.85 A)
&rst
ixpk= 414, nxpk= 25, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 353, 354,
&end
#
# 28 TRP HN 0 AMB 25-1:415 3.50 (# 415:25 Single Ambig)
&rst
ixpk= 415, nxpk= 25, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 416, 417, 416, 417,
&end
#
# 18 GLU HN 18 GLU HB+ 3.50 (# 416:25 Unique 2.34, 2.53 A)
&rst
ixpk= 416, nxpk= 25, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 273, 274,
&end
#
# 18 GLU HN 18 GLU HG+ 5.50 (# 417:25 Unique 4.32, 4.44 A)
&rst
ixpk= 417, nxpk= 25, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 276, 277,
&end
#
# 22 LYS HN 18 GLU HG+ 7.00 (# 418:25 Unique 4.14, 4.66 A)
&rst
ixpk= 418, nxpk= 25, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 276, 277,
&end
#
# 18 GLU HA 18 GLU HG+ 4.50 (# 419:25 Unique 2.28, 2.96 A)
&rst
ixpk= 419, nxpk= 25, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 276, 277,
&end
#
# 0 AMB 25-3:420 0 AMB 25-1:420 5.50 (# 420:25 Double Ambig)
&rst
ixpk= 420, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 340, 341, 340, 341,
igr2= 276, 277, 276, 277,
&end
#
# 18 GLU HB+ 18 GLU HG+ 3.50 (# 421:25 Unique 2.23, 2.72 A)
&rst
ixpk= 421, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 273, 274,
igr2= 276, 277,
&end
#
# 22 LYS HD+ 18 GLU HG+ 4.50 (# 422:25 Unique 2.09, 3.05 A)
&rst
ixpk= 422, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 337, 338,
igr2= 276, 277,
&end
#
# 22 LYS HD- 18 GLU HG+ 5.50 (# 423:25 Unique 2.09, 3.05 A)
&rst
ixpk= 423, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 337, 338,
igr2= 276, 277,
&end
#
# 22 LYS HD- 18 GLU HG- 5.50 (# 424:25 Unique 2.09, 3.05 A)
&rst
ixpk= 424, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 337, 338,
igr2= 276, 277,
&end
#
# 22 LYS HD+ 18 GLU HG- 4.50 (# 425:25 Unique 2.09, 3.05 A)
&rst
ixpk= 425, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 337, 338,
igr2= 276, 277,
&end
#
# 18 GLU HB- 18 GLU HG- 2.80 (# 426:25 Unique 2.23, 2.72 A)
&rst
ixpk= 426, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 273, 274,
igr2= 276, 277,
&end
#
# 0 AMB 25-3:427 18 GLU HG- 5.50 (# 427:25 Single Ambig)
&rst
ixpk= 427, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 340, 341, 340, 341,
igr2= 276, 277,
&end
#
# 18 GLU HA 18 GLU HG- 4.50 (# 428:25 Unique 2.28, 2.96 A)
&rst
ixpk= 428, nxpk= 25, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 276, 277,
&end
#
# 18 GLU HN 18 GLU HG- 5.50 (# 429:25 Unique 4.32, 4.44 A)
&rst
ixpk= 429, nxpk= 25, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 276, 277,
&end
#
# 19 ALA HN 19 ALA HA 3.50 (# 430:25 Unique 2.79, 2.83 A)
&rst
ixpk= 430, nxpk= 25, iat= 284, 286, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 22 LYS HN 19 ALA HA 4.50 (# 431:25 Unique 3.39, 3.51 A)
&rst
ixpk= 431, nxpk= 25, iat= 327, 286, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 23 GLU HN 19 ALA HA 5.50 (# 432:25 Unique 4.21, 4.24 A)
&rst
ixpk= 432, nxpk= 25, iat= 349, 286, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:433 19 ALA HA 4.50 (# 433:25 Single Ambig)
&rst
ixpk= 433, nxpk= 25, iat= -1, 286, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 273, 274, 298,
&end
#
# 0 AMB 25-3:434 19 ALA HA 3.50 (# 434:25 Single Ambig)
&rst
ixpk= 434, nxpk= 25, iat= -1, 286, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 331, 332, 331, 332,
&end
#
# 0 AMB 25-3:435 19 ALA HA 3.50 (# 435:25 Single Ambig)
&rst
ixpk= 435, nxpk= 25, iat= -1, 286, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 337, 338, 334, 335, 334, 335,
&end
#
# 19 ALA QB 19 ALA HA 2.80 (# 436:25 Unique 2.22, 2.63 A)
&rst
ixpk= 436, nxpk= 25, iat= -1, 286, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 288, 289, 290,
&end
#
# 20 VAL QG+ 19 ALA QB 3.50 (# 437:25 Unique 2.91, 6.11 A)
&rst
ixpk= 437, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 300, 301, 302, 304, 305, 306,
igr2= 288, 289, 290,
&end
#
# 22 LYS HD+ 19 ALA QB 4.50 (# 438:25 Unique 5.43, 7.16 A)
&rst
ixpk= 438, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 337, 338,
igr2= 288, 289, 290,
&end
#
# 17 PRO HB- 19 ALA QB 3.50 (# 439:25 Unique 3.03, 4.91 A)
&rst
ixpk= 439, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 262, 263,
igr2= 288, 289, 290,
&end
#
# 0 AMB 25-3:440 19 ALA QB 4.50 (# 440:25 Single Ambig)
&rst
ixpk= 440, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 273, 274, 298,
igr2= 288, 289, 290,
&end
#
# 0 AMB 25-3:441 19 ALA QB 4.50 (# 441:25 Single Ambig)
&rst
ixpk= 441, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 296, 271,
igr2= 288, 289, 290,
&end
#
# 19 ALA HA 19 ALA QB 2.80 (# 442:25 Unique 2.22, 2.63 A)
&rst
ixpk= 442, nxpk= 25, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 288, 289, 290,
&end
#
# 20 VAL HN 19 ALA QB 3.50 (# 443:25 Unique 2.03, 2.99 A)
&rst
ixpk= 443, nxpk= 25, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 288, 289, 290,
&end
#
# 19 ALA HN 19 ALA QB 3.50 (# 444:25 Unique 2.07, 2.88 A)
&rst
ixpk= 444, nxpk= 25, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 288, 289, 290,
&end
#
# 19 ALA QB 20 VAL QG+ 3.50 (# 445:25 Unique 2.91, 6.11 A)
&rst
ixpk= 445, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 288, 289, 290,
igr2= 300, 301, 302, 304, 305, 306,
&end
#
# 24 LEU HG 20 VAL QG+ 4.50 (# 446:25 Unique 2.69, 4.83 A)
&rst
ixpk= 446, nxpk= 25, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 300, 301, 302, 304, 305, 306,
&end
#
# 0 AMB 25-3:447 0 AMB 25-1:447 3.50 (# 447:25 Double Ambig)
&rst
ixpk= 447, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 106, 262, 263,
igr2= 170, 171, 172, 174, 175, 176, 300, 301, 302, 304,
305, 306,
&end
#
# 20 VAL HB 20 VAL QG+ 2.80 (# 448:25 Unique 2.28, 2.63 A)
&rst
ixpk= 448, nxpk= 25, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 300, 301, 302, 304, 305, 306,
&end
#
# 0 AMB 25-3:449 0 AMB 25-1:449 2.80 (# 449:25 Double Ambig)
&rst
ixpk= 449, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 259, 260, 259, 260,
igr2= 300, 301, 302, 304, 305, 306, 300, 301, 302, 304,
305, 306,
&end
#
# 0 AMB 25-3:450 0 AMB 25-1:450 4.50 (# 450:25 Double Ambig)
&rst
ixpk= 450, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1= 228, 229, 228, 229, 262, 263,
igr2= 170, 171, 172, 174, 175, 176, 300, 301, 302, 304,
305, 306,
&end
#
# 17 PRO HD- 20 VAL QG+ 3.50 (# 451:25 Unique 2.45, 4.51 A)
&rst
ixpk= 451, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 256, 257,
igr2= 300, 301, 302, 304, 305, 306,
&end
#
# 20 VAL HA 20 VAL QG+ 2.80 (# 452:25 Unique 2.50, 3.11 A)
&rst
ixpk= 452, nxpk= 25, iat= 296, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 300, 301, 302, 304, 305, 306,
&end
#
# 0 AMB 25-3:453 0 AMB 25-1:453 3.50 (# 453:25 Double Ambig)
&rst
ixpk= 453, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 256, 257, 182,
igr2= 300, 301, 302, 304, 305, 306, 170, 171, 172, 174,
175, 176,
&end
#
# 0 AMB 25-3:454 0 AMB 25-1:454 5.50 (# 454:25 Double Ambig)
&rst
ixpk= 454, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 238, 265,
igr2= 300, 301, 302, 304, 305, 306, 300, 301, 302, 304,
305, 306,
&end
#
# 20 VAL HN 20 VAL QG+ 3.50 (# 455:25 Unique 2.10, 3.78 A)
&rst
ixpk= 455, nxpk= 25, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 300, 301, 302, 304, 305, 306,
&end
#
# 21 GLN HN 20 VAL QG+ 5.50 (# 456:25 Unique 3.42, 4.62 A)
&rst
ixpk= 456, nxpk= 25, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 300, 301, 302, 304, 305, 306,
&end
#
# 24 LEU HN 21 GLN HA 4.50 (# 457:25 Unique 3.67, 3.79 A)
&rst
ixpk= 457, nxpk= 25, iat= 364, 312, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 LYS HN 21 GLN HA 4.50 (# 458:25 Unique 3.52, 3.53 A)
&rst
ixpk= 458, nxpk= 25, iat= 327, 312, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 GLN HN 21 GLN HA 3.50 (# 459:25 Unique 2.80, 2.84 A)
&rst
ixpk= 459, nxpk= 25, iat= 310, 312, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 21 GLN HE2- 21 GLN HA 5.50 (# 460:25 Unique 4.50, 5.37 A)
&rst
ixpk= 460, nxpk= 25, iat= -1, 312, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 322, 323,
&end
#
# 23 GLU HN 21 GLN HA 7.00 (# 461:25 Unique 4.43, 4.54 A)
&rst
ixpk= 461, nxpk= 25, iat= 349, 312, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 25-3:462 21 GLN HA 5.50 (# 462:25 Single Ambig)
&rst
ixpk= 462, nxpk= 25, iat= -1, 312, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 294, 59,
&end
#
# 0 AMB 25-3:463 21 GLN HA 3.50 (# 463:25 Single Ambig)
&rst
ixpk= 463, nxpk= 25, iat= -1, 312, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 192, 194,
&end
#
# 0 AMB 25-3:464 21 GLN HA 4.50 (# 464:25 Single Ambig)
&rst
ixpk= 464, nxpk= 25, iat= -1, 312, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 322, 323, 196, 444, 188,
&end
#
# 0 AMB 25-3:465 21 GLN HA 4.50 (# 465:25 Single Ambig)
&rst
ixpk= 465, nxpk= 25, iat= -1, 312, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 329, 256, 257, 182,
&end
#
# 0 AMB 25-3:466 21 GLN HA 4.50 (# 466:25 Single Ambig)
&rst
ixpk= 466, nxpk= 25, iat= -1, 312, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 296, 271, 366,
&end
#
# 21 GLN HB- 21 GLN HA 3.50 (# 467:25 Unique 2.56, 2.82 A)
&rst
ixpk= 467, nxpk= 25, iat= -1, 312, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 314, 315,
&end
#
# 0 AMB 25-3:468 21 GLN HA 2.80 (# 468:25 Single Ambig)
&rst
ixpk= 468, nxpk= 25, iat= -1, 312, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 317, 318, 314, 315,
&end
#
# 0 AMB 25-3:469 21 GLN HA 3.50 (# 469:25 Single Ambig)
&rst
ixpk= 469, nxpk= 25, iat= -1, 312, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 368, 369, 240, 241,
&end
#
# 21 GLN HG- 21 GLN HA 3.50 (# 470:25 Unique 2.08, 2.66 A)
&rst
ixpk= 470, nxpk= 25, iat= -1, 312, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 317, 318,
&end
#
# 0 AMB 25-3:471 21 GLN HA 3.50 (# 471:25 Single Ambig)
&rst
ixpk= 471, nxpk= 25, iat= -1, 312, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 245, 246, 247, 249, 250, 251, 373, 374, 375, 377,
378, 379, 392, 393, 394, 396, 397, 398,
&end
#
# 0 AMB 25-3:472 21 GLN HA 4.50 (# 472:25 Single Ambig)
&rst
ixpk= 472, nxpk= 25, iat= -1, 312, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 368, 369, 245, 246, 247, 249, 250, 251,
&end
#
# 21 GLN HG- 21 GLN HB+ 2.80 (# 473:25 Unique 2.23, 2.71 A)
&rst
ixpk= 473, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 317, 318,
igr2= 314, 315,
&end
#
# 18 GLU HG- 21 GLN HB+ 5.50 (# 474:25 Unique 4.07, 5.13 A)
&rst
ixpk= 474, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 276, 277,
igr2= 314, 315,
&end
#
# 21 GLN HA 21 GLN HB+ 3.50 (# 475:25 Unique 2.56, 2.82 A)
&rst
ixpk= 475, nxpk= 25, iat= 312, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 314, 315,
&end
#
# 18 GLU HA 21 GLN HB+ 4.50 (# 476:25 Unique 2.44, 3.12 A)
&rst
ixpk= 476, nxpk= 25, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 314, 315,
&end
#
# 21 GLN HE2+ 21 GLN HB+ 4.50 (# 477:25 Unique 2.62, 3.98 A)
&rst
ixpk= 477, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 322, 323,
igr2= 314, 315,
&end
#
# 0 AMB 25-3:478 0 AMB 25-1:478 3.50 (# 478:25 Double Ambig)
&rst
ixpk= 478, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 194, 192,
igr2= 314, 315, 314, 315,
&end
#
# 21 GLN HE2- 21 GLN HB+ 4.50 (# 479:25 Unique 2.62, 3.98 A)
&rst
ixpk= 479, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 322, 323,
igr2= 314, 315,
&end
#
# 21 GLN HN 21 GLN HB+ 3.50 (# 480:25 Unique 2.08, 2.84 A)
&rst
ixpk= 480, nxpk= 25, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 314, 315,
&end
#
# 22 LYS HN 21 GLN HB+ 4.50 (# 481:25 Unique 2.63, 3.07 A)
&rst
ixpk= 481, nxpk= 25, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 314, 315,
&end
#
# 3 MET HA 0 AMB 25-1:482 3.50 (# 482:25 Single Ambig)
&rst
ixpk= 482, nxpk= 25, iat= 30, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 32, 33, 32, 33,
&end
#
# 0 AMB 25-3:483 21 GLN HG- 4.50 (# 483:25 Single Ambig)
&rst
ixpk= 483, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 245, 246, 247, 249, 250, 251, 368, 369,
igr2= 317, 318,
&end
#
# 0 AMB 25-3:484 21 GLN HG- 4.50 (# 484:25 Single Ambig)
&rst
ixpk= 484, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 245, 246, 247, 249, 250, 251, 392, 393, 394, 396,
397, 398,
igr2= 317, 318,
&end
#
# 16 LEU HB+ 21 GLN HG- 3.50 (# 485:25 Unique 2.21, 3.22 A)
&rst
ixpk= 485, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 240, 241,
igr2= 317, 318,
&end
#
# 21 GLN HB- 21 GLN HG- 3.50 (# 486:25 Unique 2.23, 2.71 A)
&rst
ixpk= 486, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 314, 315,
igr2= 317, 318,
&end
#
# 21 GLN HA 21 GLN HG- 3.50 (# 487:25 Unique 2.08, 2.66 A)
&rst
ixpk= 487, nxpk= 25, iat= 312, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 317, 318,
&end
#
# 0 AMB 25-3:488 21 GLN HG- 5.50 (# 488:25 Single Ambig)
&rst
ixpk= 488, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 271, 296,
igr2= 317, 318,
&end
#
# 0 AMB 25-3:489 21 GLN HG- 5.50 (# 489:25 Single Ambig)
&rst
ixpk= 489, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 256, 257, 182, 329,
igr2= 317, 318,
&end
#
# 14 TYR HA 21 GLN HG- 5.50 (# 490:25 Unique 4.21, 4.64 A)
&rst
ixpk= 490, nxpk= 25, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 317, 318,
&end
#
# 0 AMB 25-3:491 21 GLN HG- 4.50 (# 491:25 Single Ambig)
&rst
ixpk= 491, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 322, 323, 196,
igr2= 317, 318,
&end
#
# 0 AMB 25-3:492 21 GLN HG- 4.50 (# 492:25 Single Ambig)
&rst
ixpk= 492, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 194, 192,
igr2= 317, 318,
&end
#
# 21 GLN HE2- 21 GLN HG- 4.50 (# 493:25 Unique 2.12, 3.22 A)
&rst
ixpk= 493, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 322, 323,
igr2= 317, 318,
&end
#
# 16 LEU HN 21 GLN HG- 5.50 (# 494:25 Unique 4.20, 4.52 A)
&rst
ixpk= 494, nxpk= 25, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 317, 318,
&end
#
# 21 GLN HN 21 GLN HG- 4.50 (# 495:25 Unique 2.52, 3.40 A)
&rst
ixpk= 495, nxpk= 25, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 317, 318,
&end
#
# 22 LYS HN 21 GLN HG- 5.50 (# 496:25 Unique 4.51, 4.88 A)
&rst
ixpk= 496, nxpk= 25, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 317, 318,
&end
#
# 22 LYS HN 22 LYS HA 3.50 (# 497:25 Unique 2.78, 2.82 A)
&rst
ixpk= 497, nxpk= 25, iat= 327, 329, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 26 ALA HN 22 LYS HA 4.50 (# 498:25 Unique 3.32, 3.56 A)
&rst
ixpk= 498, nxpk= 25, iat= 402, 329, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 23 GLU HN 22 LYS HA 4.50 (# 499:25 Unique 3.53, 3.55 A)
&rst
ixpk= 499, nxpk= 25, iat= 349, 329, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:500 22 LYS HA 2.80 (# 500:25 Single Ambig)
&rst
ixpk= 500, nxpk= 25, iat= -1, 329, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 387, 388, 331, 332, 331, 332,
&end
#
# 0 AMB 25-3:501 22 LYS HA 3.50 (# 501:25 Single Ambig)
&rst
ixpk= 501, nxpk= 25, iat= -1, 329, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 337, 338, 334, 335, 334, 335,
&end
#
# 22 LYS HD- 22 LYS HA 3.50 (# 502:25 Unique 2.14, 3.78 A)
&rst
ixpk= 502, nxpk= 25, iat= -1, 329, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 337, 338,
&end
#
# 25 LEU QD- 22 LYS HA 3.50 (# 503:25 Unique 3.34, 5.53 A)
&rst
ixpk= 503, nxpk= 25, iat= -1, 329, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 392, 393, 394, 396, 397, 398,
&end
#
# 3 MET HA 0 AMB 25-1:504 4.50 (# 504:25 Single Ambig)
&rst
ixpk= 504, nxpk= 25, iat= 30, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 32, 33, 32, 33,
&end
#
# 22 LYS HN 0 AMB 25-1:505 4.50 (# 505:25 Single Ambig)
&rst
ixpk= 505, nxpk= 25, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 334, 335, 334, 335,
&end
#
# 0 AMB 25-3:506 0 AMB 25-1:506 5.50 (# 506:25 Double Ambig)
&rst
ixpk= 506, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 473, 451,
igr2= 461, 462, 461, 462, 461, 462,
&end
#
# 0 AMB 25-3:507 0 AMB 25-1:507 3.50 (# 507:25 Double Ambig)
&rst
ixpk= 507, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 404, 453,
igr2= 461, 462, 461, 462, 461, 462,
&end
#
# 0 AMB 25-3:508 0 AMB 25-1:508 3.50 (# 508:25 Double Ambig)
&rst
ixpk= 508, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 286, 351,
igr2= 334, 335, 334, 335, 334, 335,
&end
#
# 22 LYS HA 0 AMB 25-1:509 4.50 (# 509:25 Single Ambig)
&rst
ixpk= 509, nxpk= 25, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 334, 335, 334, 335,
&end
#
# 18 GLU HA 0 AMB 25-1:510 5.50 (# 510:25 Single Ambig)
&rst
ixpk= 510, nxpk= 25, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 334, 335, 334, 335,
&end
#
# 0 AMB 25-3:511 0 AMB 25-1:511 3.50 (# 511:25 Double Ambig)
&rst
ixpk= 511, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.01, r4= 8.51,
igr1= 464, 465, 464, 465, 464, 465, 340, 341, 340, 341,
340, 341,
igr2= 461, 462, 461, 462, 461, 462, 334, 335, 334, 335,
334, 335,
&end
#
# 0 AMB 25-3:512 0 AMB 25-1:512 3.50 (# 512:25 Double Ambig)
&rst
ixpk= 512, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 276, 277, 276, 277, 356, 357,
igr2= 334, 335, 334, 335, 334, 335,
&end
#
# 18 GLU HG- 0 AMB 25-1:513 3.50 (# 513:25 Single Ambig)
&rst
ixpk= 513, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 276, 277,
igr2= 334, 335, 334, 335,
&end
#
# 0 AMB 25-3:514 0 AMB 25-1:514 3.50 (# 514:25 Double Ambig)
&rst
ixpk= 514, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1= 314, 315, 273, 274, 273, 274, 353, 354, 353, 354,
igr2= 334, 335, 334, 335, 334, 335, 334, 335,
&end
#
# 0 AMB 25-3:515 0 AMB 25-1:515 2.80 (# 515:25 Double Ambig)
&rst
ixpk= 515, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 331, 332, 331, 332, 331, 332, 387, 388,
igr2= 334, 335, 334, 335, 334, 335, 461, 462,
&end
#
# 0 AMB 25-3:516 0 AMB 25-1:516 2.80 (# 516:25 Double Ambig)
&rst
ixpk= 516, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 458, 459, 337, 338,
igr2= 461, 462, 461, 462, 334, 335, 334, 335,
&end
#
# 0 AMB 25-3:517 0 AMB 25-1:517 2.80 (# 517:25 Double Ambig)
&rst
ixpk= 517, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 331, 332, 331, 332,
igr2= 337, 338, 337, 338,
&end
#
# 0 AMB 25-3:518 0 AMB 25-1:518 4.50 (# 518:25 Double Ambig)
&rst
ixpk= 518, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 340, 341, 340, 341,
igr2= 337, 338, 337, 338,
&end
#
# 22 LYS HA 22 LYS HD+ 4.50 (# 519:25 Unique 2.14, 3.78 A)
&rst
ixpk= 519, nxpk= 25, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 337, 338,
&end
#
# 19 ALA HA 22 LYS HD+ 5.50 (# 520:25 Unique 3.39, 4.74 A)
&rst
ixpk= 520, nxpk= 25, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 337, 338,
&end
#
# 23 GLU HN 22 LYS HD+ 5.50 (# 521:25 Unique 4.77, 5.78 A)
&rst
ixpk= 521, nxpk= 25, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 337, 338,
&end
#
# 22 LYS HN 22 LYS HD+ 3.50 (# 522:25 Unique 2.45, 4.10 A)
&rst
ixpk= 522, nxpk= 25, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 337, 338,
&end
#
# 22 LYS HN 22 LYS HD- 4.50 (# 523:25 Unique 2.45, 4.10 A)
&rst
ixpk= 523, nxpk= 25, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 337, 338,
&end
#
# 22 LYS HA 22 LYS HD- 3.50 (# 524:25 Unique 2.14, 3.78 A)
&rst
ixpk= 524, nxpk= 25, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 337, 338,
&end
#
# 0 AMB 25-3:525 22 LYS HD- 4.50 (# 525:25 Single Ambig)
&rst
ixpk= 525, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 340, 341, 340, 341,
igr2= 337, 338,
&end
#
# 0 AMB 25-3:526 22 LYS HD- 2.80 (# 526:25 Single Ambig)
&rst
ixpk= 526, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 331, 332, 331, 332,
igr2= 337, 338,
&end
#
# 22 LYS HD- 0 AMB 25-1:527 3.50 (# 527:25 Single Ambig)
&rst
ixpk= 527, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 337, 338,
igr2= 340, 341, 340, 341,
&end
#
# 0 AMB 25-3:528 0 AMB 25-1:528 2.80 (# 528:25 Double Ambig)
&rst
ixpk= 528, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 337, 338, 337, 338, 334, 335, 334, 335, 334, 335,
igr2= 340, 341, 340, 341, 340, 341, 340, 341,
&end
#
# 0 AMB 25-3:529 0 AMB 25-1:529 3.50 (# 529:25 Double Ambig)
&rst
ixpk= 529, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 331, 332, 331, 332, 331, 332,
igr2= 340, 341, 340, 341, 340, 341,
&end
#
# 18 GLU HA 0 AMB 25-1:530 4.50 (# 530:25 Single Ambig)
&rst
ixpk= 530, nxpk= 25, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 340, 341, 340, 341,
&end
#
# 0 AMB 25-3:531 0 AMB 25-1:531 4.50 (# 531:25 Double Ambig)
&rst
ixpk= 531, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 286, 351,
igr2= 340, 341, 340, 341,
&end
#
# 0 AMB 25-3:532 27 GLU HA 3.50 (# 532:25 Single Ambig)
&rst
ixpk= 532, nxpk= 25, iat= -1, 414, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 412, 473, 451,
&end
#
# 14 TYR HD2 11 GLN HG+ 5.50 (# 533:25 Unique 4.39, 4.83 A)
&rst
ixpk= 533, nxpk= 25, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 154, 155,
&end
#
# 14 TYR HD2 11 GLN HG- 5.50 (# 534:25 Unique 4.39, 4.83 A)
&rst
ixpk= 534, nxpk= 25, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 154, 155,
&end
#
# 24 LEU QD+ 24 LEU HA 2.80 (# 535:25 Unique 2.02, 3.12 A)
&rst
ixpk= 535, nxpk= 25, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 373, 374, 375, 377, 378, 379,
&end
#
# 0 AMB 25-3:536 24 LEU HA 3.50 (# 536:25 Single Ambig)
&rst
ixpk= 536, nxpk= 25, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 368, 369, 371,
&end
#
# 0 AMB 25-3:537 24 LEU HA 3.50 (# 537:25 Single Ambig)
&rst
ixpk= 537, nxpk= 25, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 416, 417, 416, 417,
&end
#
# 0 AMB 25-3:538 24 LEU HA 4.50 (# 538:25 Single Ambig)
&rst
ixpk= 538, nxpk= 25, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 419, 420, 419, 420,
&end
#
# 27 GLU HN 24 LEU HA 4.50 (# 539:25 Unique 3.68, 3.83 A)
&rst
ixpk= 539, nxpk= 25, iat= 412, 366, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 25 LEU HN 24 LEU HA 4.50 (# 540:25 Unique 3.55, 3.56 A)
&rst
ixpk= 540, nxpk= 25, iat= 383, 366, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 24 LEU HN 24 LEU HA 3.50 (# 541:25 Unique 2.76, 2.77 A)
&rst
ixpk= 541, nxpk= 25, iat= 364, 366, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 28 TRP HZ3 24 LEU HB- 5.50 (# 542:25 Unique 2.78, 3.71 A)
&rst
ixpk= 542, nxpk= 25, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 368, 369,
&end
#
# 28 TRP HH2 24 LEU HB- 5.50 (# 543:25 Unique 3.03, 4.28 A)
&rst
ixpk= 543, nxpk= 25, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 368, 369,
&end
#
# 0 AMB 25-3:544 24 LEU HB- 4.50 (# 544:25 Single Ambig)
&rst
ixpk= 544, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 192, 190,
igr2= 368, 369,
&end
#
# 28 TRP HZ2 24 LEU HB- 5.50 (# 545:25 Unique 4.06, 5.36 A)
&rst
ixpk= 545, nxpk= 25, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 368, 369,
&end
#
# 26 ALA HN 24 LEU HB- 7.00 (# 546:25 Unique 4.70, 5.41 A)
&rst
ixpk= 546, nxpk= 25, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 368, 369,
&end
#
# 25 LEU HN 24 LEU HB- 4.50 (# 547:25 Unique 2.40, 2.78 A)
&rst
ixpk= 547, nxpk= 25, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 368, 369,
&end
#
# 24 LEU HN 24 LEU HB- 4.50 (# 548:25 Unique 2.21, 2.88 A)
&rst
ixpk= 548, nxpk= 25, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 368, 369,
&end
#
# 0 AMB 25-3:549 24 LEU HB- 5.50 (# 549:25 Single Ambig)
&rst
ixpk= 549, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 385, 329,
igr2= 368, 369,
&end
#
# 24 LEU HA 24 LEU HB- 3.50 (# 550:25 Unique 2.63, 2.81 A)
&rst
ixpk= 550, nxpk= 25, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 368, 369,
&end
#
# 21 GLN HA 24 LEU HB- 5.50 (# 551:25 Unique 2.71, 3.51 A)
&rst
ixpk= 551, nxpk= 25, iat= 312, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 368, 369,
&end
#
# 0 AMB 25-3:552 24 LEU HB- 5.50 (# 552:25 Single Ambig)
&rst
ixpk= 552, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1= 416, 417, 416, 417, 298,
igr2= 368, 369,
&end
#
# 0 AMB 25-3:553 24 LEU HB- 5.50 (# 553:25 Single Ambig)
&rst
ixpk= 553, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1= 390, 317, 318, 314, 315,
igr2= 368, 369,
&end
#
# 0 AMB 25-3:554 0 AMB 25-1:554 3.50 (# 554:25 Double Ambig)
&rst
ixpk= 554, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 387, 388, 406, 407, 408, 69, 70, 69, 70,
igr2= 368, 369, 368, 369, 368, 369, 368, 369,
&end
#
# 0 AMB 25-3:555 0 AMB 25-1:555 4.50 (# 555:25 Double Ambig)
&rst
ixpk= 555, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 385, 329,
igr2= 368, 369, 368, 369,
&end
#
# 0 AMB 25-3:556 0 AMB 25-1:556 4.50 (# 556:25 Double Ambig)
&rst
ixpk= 556, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 310, 412,
igr2= 368, 369, 368, 369,
&end
#
# 25 LEU HN 24 LEU HB+ 3.50 (# 557:25 Unique 2.40, 2.78 A)
&rst
ixpk= 557, nxpk= 25, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 368, 369,
&end
#
# 24 LEU HN 24 LEU QD+ 4.50 (# 558:25 Unique 2.01, 3.95 A)
&rst
ixpk= 558, nxpk= 25, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 28 TRP HZ2 24 LEU QD+ 4.50 (# 559:25 Unique 2.64, 4.62 A)
&rst
ixpk= 559, nxpk= 25, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 13 PHE HE1 24 LEU QD+ 4.50 (# 560:25 Unique 2.07, 3.85 A)
&rst
ixpk= 560, nxpk= 25, iat= 190, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 0 AMB 25-3:561 0 AMB 25-1:561 5.50 (# 561:25 Double Ambig)
&rst
ixpk= 561, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 444, 188,
igr2= 373, 374, 375, 377, 378, 379, 373, 374, 375, 377,
378, 379,
&end
#
# 24 LEU HA 24 LEU QD+ 2.80 (# 563:25 Unique 2.02, 3.12 A)
&rst
ixpk= 563, nxpk= 25, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 23 GLU HG+ 24 LEU QD+ 4.50 (# 564:25 Unique 3.00, 6.89 A)
&rst
ixpk= 564, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 356, 357,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 0 AMB 25-3:565 0 AMB 25-1:565 4.50 (# 565:25 Double Ambig)
&rst
ixpk= 565, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 353, 354, 416, 417,
igr2= 373, 374, 375, 377, 378, 379, 373, 374, 375, 377,
378, 379,
&end
#
# 0 AMB 25-3:566 0 AMB 25-1:566 4.50 (# 566:25 Double Ambig)
&rst
ixpk= 566, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 317, 318, 390,
igr2= 373, 374, 375, 377, 378, 379, 373, 374, 375, 377,
378, 379,
&end
#
# 24 LEU HG 24 LEU QD+ 2.80 (# 567:25 Unique 2.27, 2.63 A)
&rst
ixpk= 567, nxpk= 25, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 0 AMB 25-3:569 24 LEU QD- 2.80 (# 569:25 Single Ambig)
&rst
ixpk= 569, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 371, 368, 369,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 0 AMB 25-3:570 24 LEU QD- 4.50 (# 570:25 Single Ambig)
&rst
ixpk= 570, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 317, 318, 390, 243,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 0 AMB 25-3:571 24 LEU QD- 4.50 (# 571:25 Single Ambig)
&rst
ixpk= 571, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 353, 354, 416, 417,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 21 GLN HA 24 LEU QD- 4.50 (# 573:25 Unique 4.48, 5.84 A)
&rst
ixpk= 573, nxpk= 25, iat= 312, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 24 LEU HA 24 LEU QD- 4.50 (# 574:25 Unique 2.02, 3.12 A)
&rst
ixpk= 574, nxpk= 25, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 0 AMB 25-3:575 24 LEU QD- 5.50 (# 575:25 Single Ambig)
&rst
ixpk= 575, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 385, 182,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 0 AMB 25-3:576 24 LEU QD- 4.50 (# 576:25 Single Ambig)
&rst
ixpk= 576, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 444, 188,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 28 TRP HH2 24 LEU QD- 4.50 (# 577:25 Unique 2.26, 4.53 A)
&rst
ixpk= 577, nxpk= 25, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 0 AMB 25-3:578 24 LEU QD- 4.50 (# 578:25 Single Ambig)
&rst
ixpk= 578, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 59, 61,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 13 PHE HE1 24 LEU QD- 3.50 (# 579:25 Unique 2.07, 3.85 A)
&rst
ixpk= 579, nxpk= 25, iat= 190, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 28 TRP HZ2 24 LEU QD- 4.50 (# 580:25 Unique 2.64, 4.62 A)
&rst
ixpk= 580, nxpk= 25, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 25 LEU HN 24 LEU QD- 5.50 (# 581:25 Unique 4.51, 5.41 A)
&rst
ixpk= 581, nxpk= 25, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 24 LEU HN 24 LEU QD- 4.50 (# 582:25 Unique 2.01, 3.95 A)
&rst
ixpk= 582, nxpk= 25, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 28 TRP HN 25 LEU HA 5.50 (# 583:25 Unique 3.35, 3.62 A)
&rst
ixpk= 583, nxpk= 25, iat= 427, 385, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 LEU HN 25 LEU HA 3.50 (# 584:25 Unique 2.75, 2.79 A)
&rst
ixpk= 584, nxpk= 25, iat= 383, 385, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 26 ALA HN 25 LEU HA 4.50 (# 585:25 Unique 3.50, 3.57 A)
&rst
ixpk= 585, nxpk= 25, iat= 402, 385, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 TRP HE3 25 LEU HA 3.50 (# 586:25 Unique 2.05, 2.74 A)
&rst
ixpk= 586, nxpk= 25, iat= 446, 385, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-3:587 25 LEU HA 3.50 (# 587:25 Single Ambig)
&rst
ixpk= 587, nxpk= 25, iat= -1, 385, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 431, 432, 431, 432,
&end
#
# 25 LEU HB+ 25 LEU HA 3.50 (# 588:25 Unique 2.50, 2.78 A)
&rst
ixpk= 588, nxpk= 25, iat= -1, 385, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 387, 388,
&end
#
# 25 LEU HB- 25 LEU HA 3.50 (# 589:25 Unique 2.50, 2.78 A)
&rst
ixpk= 589, nxpk= 25, iat= -1, 385, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 387, 388,
&end
#
# 25 LEU QD+ 25 LEU HA 2.80 (# 590:25 Unique 2.00, 3.71 A)
&rst
ixpk= 590, nxpk= 25, iat= -1, 385, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 392, 393, 394, 396, 397, 398,
&end
#
# 25 LEU QD+ 25 LEU HB+ 3.50 (# 591:25 Unique 2.40, 3.29 A)
&rst
ixpk= 591, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 392, 393, 394, 396, 397, 398,
igr2= 387, 388,
&end
#
# 25 LEU QD- 25 LEU HB+ 3.50 (# 592:25 Unique 2.40, 3.29 A)
&rst
ixpk= 592, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 392, 393, 394, 396, 397, 398,
igr2= 387, 388,
&end
#
# 0 AMB 25-3:593 0 AMB 25-1:593 3.50 (# 593:25 Double Ambig)
&rst
ixpk= 593, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 385, 329,
igr2= 387, 388, 387, 388,
&end
#
# 0 AMB 25-3:594 0 AMB 25-1:594 5.50 (# 594:25 Double Ambig)
&rst
ixpk= 594, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 404, 351,
igr2= 387, 388, 387, 388,
&end
#
# 0 AMB 25-3:595 0 AMB 25-1:595 5.50 (# 595:25 Double Ambig)
&rst
ixpk= 595, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 192, 194,
igr2= 387, 388, 387, 388,
&end
#
# 26 ALA HN 25 LEU HB+ 3.50 (# 596:25 Unique 2.17, 2.71 A)
&rst
ixpk= 596, nxpk= 25, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 387, 388,
&end
#
# 25 LEU HN 25 LEU HB+ 3.50 (# 597:25 Unique 2.23, 2.94 A)
&rst
ixpk= 597, nxpk= 25, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 387, 388,
&end
#
# 25 LEU HN 25 LEU HB- 3.50 (# 598:25 Unique 2.23, 2.94 A)
&rst
ixpk= 598, nxpk= 25, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 387, 388,
&end
#
# 0 AMB 25-3:599 25 LEU HB- 5.50 (# 599:25 Single Ambig)
&rst
ixpk= 599, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 412, 451, 310,
igr2= 387, 388,
&end
#
# 26 ALA HN 25 LEU HB- 4.50 (# 600:25 Unique 2.17, 2.71 A)
&rst
ixpk= 600, nxpk= 25, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 387, 388,
&end
#
# 28 TRP HE3 25 LEU HB- 5.50 (# 601:25 Unique 4.36, 5.35 A)
&rst
ixpk= 601, nxpk= 25, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 387, 388,
&end
#
# 0 AMB 25-3:602 25 LEU HB- 5.50 (# 602:25 Single Ambig)
&rst
ixpk= 602, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 192, 194,
igr2= 387, 388,
&end
#
# 0 AMB 25-3:603 25 LEU HB- 5.50 (# 603:25 Single Ambig)
&rst
ixpk= 603, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 404, 351,
igr2= 387, 388,
&end
#
# 25 LEU HA 25 LEU HB- 3.50 (# 604:25 Unique 2.50, 2.78 A)
&rst
ixpk= 604, nxpk= 25, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 387, 388,
&end
#
# 0 AMB 25-3:605 25 LEU HB- 5.50 (# 605:25 Single Ambig)
&rst
ixpk= 605, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 431, 432, 431, 432,
igr2= 387, 388,
&end
#
# 25 LEU QD- 25 LEU HB- 3.50 (# 606:25 Unique 2.40, 3.29 A)
&rst
ixpk= 606, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 392, 393, 394, 396, 397, 398,
igr2= 387, 388,
&end
#
# 25 LEU QD+ 25 LEU HB- 3.50 (# 607:25 Unique 2.40, 3.29 A)
&rst
ixpk= 607, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 392, 393, 394, 396, 397, 398,
igr2= 387, 388,
&end
#
# 25 LEU QD+ 25 LEU HG 3.50 (# 608:25 Unique 2.39, 2.63 A)
&rst
ixpk= 608, nxpk= 25, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 392, 393, 394, 396, 397, 398,
&end
#
# 25 LEU QD- 25 LEU HG 3.50 (# 609:25 Unique 2.39, 2.63 A)
&rst
ixpk= 609, nxpk= 25, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 392, 393, 394, 396, 397, 398,
&end
#
# 25 LEU HB- 25 LEU HG 3.50 (# 610:25 Unique 2.39, 2.73 A)
&rst
ixpk= 610, nxpk= 25, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 387, 388,
&end
#
# 21 GLN HB- 25 LEU HG 4.50 (# 611:25 Unique 3.32, 4.51 A)
&rst
ixpk= 611, nxpk= 25, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 314, 315,
&end
#
# 0 AMB 25-3:612 25 LEU HG 5.50 (# 612:25 Single Ambig)
&rst
ixpk= 612, nxpk= 25, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 340, 341, 340, 341,
&end
#
# 0 AMB 25-3:614 25 LEU HG 3.50 (# 614:25 Single Ambig)
&rst
ixpk= 614, nxpk= 25, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 385, 329,
&end
#
# 0 AMB 25-3:615 25 LEU HG 3.50 (# 615:25 Single Ambig)
&rst
ixpk= 615, nxpk= 25, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 194, 192,
&end
#
# 25 LEU HN 25 LEU HG 3.50 (# 616:25 Unique 2.30, 2.56 A)
&rst
ixpk= 616, nxpk= 25, iat= 383, 390, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 25 LEU HN 25 LEU QD- 4.50 (# 617:25 Unique 3.17, 4.49 A)
&rst
ixpk= 617, nxpk= 25, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 392, 393, 394, 396, 397, 398,
&end
#
# 0 AMB 25-3:618 25 LEU QD- 5.50 (# 618:25 Single Ambig)
&rst
ixpk= 618, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 451, 412, 310,
igr2= 392, 393, 394, 396, 397, 398,
&end
#
# 26 ALA HN 25 LEU QD- 5.50 (# 619:25 Unique 4.60, 5.43 A)
&rst
ixpk= 619, nxpk= 25, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 392, 393, 394, 396, 397, 398,
&end
#
# 28 TRP HE3 25 LEU QD- 5.50 (# 620:25 Unique 2.25, 5.09 A)
&rst
ixpk= 620, nxpk= 25, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 392, 393, 394, 396, 397, 398,
&end
#
# 0 AMB 25-3:622 25 LEU QD- 3.50 (# 622:25 Single Ambig)
&rst
ixpk= 622, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 194, 192,
igr2= 392, 393, 394, 396, 397, 398,
&end
#
# 0 AMB 25-3:623 25 LEU QD- 5.50 (# 623:25 Single Ambig)
&rst
ixpk= 623, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 57, 210,
igr2= 392, 393, 394, 396, 397, 398,
&end
#
# 0 AMB 25-3:624 25 LEU QD- 5.50 (# 624:25 Single Ambig)
&rst
ixpk= 624, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 444, 322, 323,
igr2= 392, 393, 394, 396, 397, 398,
&end
#
# 22 LYS HA 25 LEU QD- 3.50 (# 625:25 Unique 3.34, 5.53 A)
&rst
ixpk= 625, nxpk= 25, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 392, 393, 394, 396, 397, 398,
&end
#
# 0 AMB 25-3:626 25 LEU QD- 5.50 (# 626:25 Single Ambig)
&rst
ixpk= 626, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 340, 341, 340, 341,
igr2= 392, 393, 394, 396, 397, 398,
&end
#
# 21 GLN HB- 25 LEU QD- 4.50 (# 627:25 Unique 3.03, 5.75 A)
&rst
ixpk= 627, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 314, 315,
igr2= 392, 393, 394, 396, 397, 398,
&end
#
# 25 LEU HB+ 25 LEU QD- 2.80 (# 628:25 Unique 2.40, 3.29 A)
&rst
ixpk= 628, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 387, 388,
igr2= 392, 393, 394, 396, 397, 398,
&end
#
# 0 AMB 25-3:629 25 LEU QD- 4.50 (# 629:25 Single Ambig)
&rst
ixpk= 629, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 461, 462, 461, 462, 368, 369, 334, 335, 334, 335,
igr2= 392, 393, 394, 396, 397, 398,
&end
#
# 25 LEU HB- 25 LEU QD- 3.50 (# 630:25 Unique 2.40, 3.29 A)
&rst
ixpk= 630, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 387, 388,
igr2= 392, 393, 394, 396, 397, 398,
&end
#
# 25 LEU HB- 25 LEU QD+ 3.50 (# 631:25 Unique 2.40, 3.29 A)
&rst
ixpk= 631, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 387, 388,
igr2= 392, 393, 394, 396, 397, 398,
&end
#
# 0 AMB 25-3:632 0 AMB 25-1:632 4.50 (# 632:25 Double Ambig)
&rst
ixpk= 632, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.81, r4=11.31,
igr1= 461, 462, 461, 462, 368, 369, 334, 335,
igr2= 392, 393, 394, 396, 397, 398, 392, 393, 394, 396,
397, 398, 392, 393, 394, 396, 397, 398, 392, 393,
394, 396, 397, 398,
&end
#
# 0 AMB 25-3:633 0 AMB 25-1:633 3.50 (# 633:25 Double Ambig)
&rst
ixpk= 633, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 390, 314, 315, 317, 318,
igr2= 392, 393, 394, 396, 397, 398, 392, 393, 394, 396,
397, 398, 392, 393, 394, 396, 397, 398,
&end
#
# 0 AMB 25-3:634 0 AMB 25-1:634 4.50 (# 634:25 Double Ambig)
&rst
ixpk= 634, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 431, 432, 431, 432,
igr2= 392, 393, 394, 396, 397, 398, 392, 393, 394, 396,
397, 398,
&end
#
# 25 LEU HA 25 LEU QD+ 3.50 (# 635:25 Unique 2.00, 3.71 A)
&rst
ixpk= 635, nxpk= 25, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 392, 393, 394, 396, 397, 398,
&end
#
# 0 AMB 25-3:636 0 AMB 25-1:636 3.50 (# 636:25 Double Ambig)
&rst
ixpk= 636, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 194, 192,
igr2= 392, 393, 394, 396, 397, 398, 392, 393, 394, 396,
397, 398,
&end
#
# 28 TRP HE3 25 LEU QD+ 3.50 (# 637:25 Unique 2.25, 5.09 A)
&rst
ixpk= 637, nxpk= 25, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 392, 393, 394, 396, 397, 398,
&end
#
# 0 AMB 25-3:638 26 ALA HA 3.50 (# 638:25 Single Ambig)
&rst
ixpk= 638, nxpk= 25, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 451, 412, 473,
&end
#
# 26 ALA HN 26 ALA HA 3.50 (# 639:25 Unique 2.75, 2.76 A)
&rst
ixpk= 639, nxpk= 25, iat= 402, 404, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-3:640 26 ALA HA 3.50 (# 640:25 Single Ambig)
&rst
ixpk= 640, nxpk= 25, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 455, 456, 455, 456,
&end
#
# 0 AMB 25-3:641 26 ALA HA 4.50 (# 641:25 Single Ambig)
&rst
ixpk= 641, nxpk= 25, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 461, 462, 461, 462, 480, 481,
&end
#
# 0 AMB 25-3:642 26 ALA HA 2.80 (# 642:25 Single Ambig)
&rst
ixpk= 642, nxpk= 25, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1= 458, 459, 406, 407, 408,
&end
#
# 0 AMB 25-3:643 26 ALA QB 3.50 (# 643:25 Single Ambig)
&rst
ixpk= 643, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 387, 388, 331, 332, 331, 332,
igr2= 406, 407, 408,
&end
#
# 0 AMB 25-3:644 26 ALA QB 3.50 (# 644:25 Single Ambig)
&rst
ixpk= 644, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 416, 417, 416, 417, 353, 354,
igr2= 406, 407, 408,
&end
#
# 0 AMB 25-3:645 26 ALA QB 4.50 (# 645:25 Single Ambig)
&rst
ixpk= 645, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 356, 357, 419, 420, 419, 420,
igr2= 406, 407, 408,
&end
#
# 23 GLU HG- 26 ALA QB 5.50 (# 646:25 Unique 4.54, 6.10 A)
&rst
ixpk= 646, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 356, 357,
igr2= 406, 407, 408,
&end
#
# 22 LYS HA 26 ALA QB 5.50 (# 647:25 Unique 3.98, 5.00 A)
&rst
ixpk= 647, nxpk= 25, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 406, 407, 408,
&end
#
# 0 AMB 25-3:648 26 ALA QB 2.80 (# 648:25 Single Ambig)
&rst
ixpk= 648, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 404, 351,
igr2= 406, 407, 408,
&end
#
# 26 ALA HN 26 ALA QB 2.80 (# 649:25 Unique 2.20, 2.89 A)
&rst
ixpk= 649, nxpk= 25, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 406, 407, 408,
&end
#
# 27 GLU HN 26 ALA QB 3.50 (# 650:25 Unique 2.28, 3.39 A)
&rst
ixpk= 650, nxpk= 25, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 406, 407, 408,
&end
#
# 0 AMB 25-3:651 26 ALA QB 5.50 (# 651:25 Single Ambig)
&rst
ixpk= 651, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 383, 497,
igr2= 406, 407, 408,
&end
#
# 28 TRP HN 26 ALA QB 5.50 (# 652:25 Unique 4.77, 5.72 A)
&rst
ixpk= 652, nxpk= 25, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 406, 407, 408,
&end
#
# 14 TYR HD2 11 GLN HA 5.50 (# 653:25 Unique 2.90, 3.00 A)
&rst
ixpk= 653, nxpk= 25, iat= 217, 149, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:654 0 AMB 25-1:654 4.50 (# 654:25 Double Ambig)
&rst
ixpk= 654, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.82, r4=10.32,
igr1= 392, 393, 394, 396, 397, 398, 392, 393, 394, 396,
397, 398, 373, 374, 375, 377, 378, 379,
igr2= 431, 432, 431, 432, 431, 432,
&end
#
# 0 AMB 25-3:655 0 AMB 25-1:655 4.50 (# 655:25 Double Ambig)
&rst
ixpk= 655, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 458, 459, 458, 459, 387, 388, 69, 70, 69, 70,
igr2= 431, 432, 431, 432, 431, 432, 431, 432,
&end
#
# 0 AMB 25-3:656 0 AMB 25-1:656 4.50 (# 656:25 Double Ambig)
&rst
ixpk= 656, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
igr1= 455, 456, 455, 456, 455, 456, 390, 32, 33,
igr2= 431, 432, 431, 432, 431, 432, 431, 432, 431, 432,
&end
#
# 0 AMB 25-3:657 0 AMB 25-1:657 5.50 (# 657:25 Double Ambig)
&rst
ixpk= 657, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 72, 73, 72, 73,
igr2= 431, 432, 431, 432,
&end
#
# 24 LEU HA 0 AMB 25-1:658 4.50 (# 658:25 Single Ambig)
&rst
ixpk= 658, nxpk= 25, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 431, 432, 431, 432,
&end
#
# 25 LEU HA 0 AMB 25-1:659 3.50 (# 659:25 Single Ambig)
&rst
ixpk= 659, nxpk= 25, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 431, 432, 431, 432,
&end
#
# 0 AMB 25-3:660 0 AMB 25-1:660 4.50 (# 660:25 Double Ambig)
&rst
ixpk= 660, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 453, 404, 414,
igr2= 431, 432, 431, 432, 431, 432, 431, 432,
&end
#
# 28 TRP HA 0 AMB 25-1:661 3.50 (# 661:25 Single Ambig)
&rst
ixpk= 661, nxpk= 25, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 431, 432, 431, 432,
&end
#
# 28 TRP HD1 0 AMB 25-1:662 3.50 (# 662:25 Single Ambig)
&rst
ixpk= 662, nxpk= 25, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 431, 432, 431, 432,
&end
#
# 28 TRP HE3 0 AMB 25-1:663 3.50 (# 663:25 Single Ambig)
&rst
ixpk= 663, nxpk= 25, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 431, 432, 431, 432,
&end
#
# 29 LYS HN 0 AMB 25-1:664 3.50 (# 664:25 Single Ambig)
&rst
ixpk= 664, nxpk= 25, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 431, 432, 431, 432,
&end
#
# 28 TRP HN 0 AMB 25-1:665 2.80 (# 665:25 Single Ambig)
&rst
ixpk= 665, nxpk= 25, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 431, 432, 431, 432,
&end
#
# 28 TRP HN 28 TRP HA 4.50 (# 666:25 Unique 2.78, 2.84 A)
&rst
ixpk= 666, nxpk= 25, iat= 427, 429, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 TRP HD1 28 TRP HA 3.50 (# 667:25 Unique 2.06, 2.15 A)
&rst
ixpk= 667, nxpk= 25, iat= 435, 429, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-3:668 28 TRP HA 2.80 (# 668:25 Single Ambig)
&rst
ixpk= 668, nxpk= 25, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 431, 432, 431, 432,
&end
#
# 0 AMB 25-3:669 30 ARG HA 3.50 (# 669:25 Single Ambig)
&rst
ixpk= 669, nxpk= 25, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 480, 481, 461, 462, 461, 462,
&end
#
# 30 ARG HG+ 30 ARG HA 3.50 (# 670:25 Unique 2.48, 3.28 A)
&rst
ixpk= 670, nxpk= 25, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 480, 481,
&end
#
# 0 AMB 25-3:671 30 ARG HA 2.80 (# 671:25 Single Ambig)
&rst
ixpk= 671, nxpk= 25, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 477, 478, 477, 478,
&end
#
# 0 AMB 25-3:672 30 ARG HA 4.50 (# 672:25 Single Ambig)
&rst
ixpk= 672, nxpk= 25, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 483, 484, 483, 484,
&end
#
# 30 ARG HN 30 ARG HA 3.50 (# 673:25 Unique 2.80, 2.86 A)
&rst
ixpk= 673, nxpk= 25, iat= 473, 475, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 31 THR HN 30 ARG HA 4.50 (# 674:25 Unique 3.46, 3.51 A)
&rst
ixpk= 674, nxpk= 25, iat= 497, 475, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 32 GLY HN 0 AMB 25-1:675 4.50 (# 675:25 Single Ambig)
&rst
ixpk= 675, nxpk= 25, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 513, 514, 513, 514,
&end
#
# 0 AMB 25-3:676 0 AMB 25-1:676 4.50 (# 676:25 Double Ambig)
&rst
ixpk= 676, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 501, 475,
igr2= 513, 514, 513, 514, 513, 514,
&end
#
# 29 LYS HA 0 AMB 25-1:677 5.50 (# 677:25 Single Ambig)
&rst
ixpk= 677, nxpk= 25, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 513, 514, 513, 514,
&end
#
# 31 THR QG2 31 THR HA 3.50 (# 678:25 Unique 2.14, 3.04 A)
&rst
ixpk= 678, nxpk= 25, iat= -1, 499, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 503, 504, 505,
&end
#
# 32 GLY HN 31 THR HA 3.50 (# 679:25 Unique 2.15, 2.77 A)
&rst
ixpk= 679, nxpk= 25, iat= 511, 499, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 31 THR HN 31 THR HA 4.50 (# 680:25 Unique 2.76, 2.86 A)
&rst
ixpk= 680, nxpk= 25, iat= 497, 499, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 THR HN 31 THR HB 5.50 (# 681:25 Unique 2.66, 3.38 A)
&rst
ixpk= 681, nxpk= 25, iat= 497, 501, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 GLY HN 31 THR HB 5.50 (# 682:25 Unique 2.64, 3.67 A)
&rst
ixpk= 682, nxpk= 25, iat= 511, 501, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 TRP HA 31 THR HB 4.50 (# 683:25 Unique 4.26, 4.48 A)
&rst
ixpk= 683, nxpk= 25, iat= 429, 501, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 THR QG2 31 THR HB 3.50 (# 684:25 Unique 2.24, 2.64 A)
&rst
ixpk= 684, nxpk= 25, iat= -1, 501, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 503, 504, 505,
&end
#
# 30 ARG HG- 31 THR QG2 4.50 (# 685:25 Unique 3.75, 6.10 A)
&rst
ixpk= 685, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 480, 481,
igr2= 503, 504, 505,
&end
#
# 0 AMB 25-3:686 31 THR QG2 3.50 (# 686:25 Single Ambig)
&rst
ixpk= 686, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 477, 478, 477, 478,
igr2= 503, 504, 505,
&end
#
# 0 AMB 25-3:687 31 THR QG2 4.50 (# 687:25 Single Ambig)
&rst
ixpk= 687, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 419, 420, 419, 420,
igr2= 503, 504, 505,
&end
#
# 0 AMB 25-3:688 31 THR QG2 2.80 (# 688:25 Single Ambig)
&rst
ixpk= 688, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 499, 501,
igr2= 503, 504, 505,
&end
#
# 0 AMB 25-3:689 31 THR QG2 5.50 (# 689:25 Single Ambig)
&rst
ixpk= 689, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 473, 451,
igr2= 503, 504, 505,
&end
#
# 31 THR HN 31 THR QG2 5.50 (# 690:25 Unique 1.94, 3.63 A)
&rst
ixpk= 690, nxpk= 25, iat= 497, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 503, 504, 505,
&end
#
# 30 ARG HN 0 AMB 25-1:691 3.50 (# 691:25 Single Ambig)
&rst
ixpk= 691, nxpk= 25, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 477, 478, 477, 478,
&end
#
# 30 ARG HA 0 AMB 25-1:692 3.50 (# 692:25 Single Ambig)
&rst
ixpk= 692, nxpk= 25, iat= 475, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 477, 478, 477, 478,
&end
#
# 27 GLU HA 0 AMB 25-1:693 3.50 (# 693:25 Single Ambig)
&rst
ixpk= 693, nxpk= 25, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 477, 478, 477, 478,
&end
#
# 0 AMB 25-3:694 0 AMB 25-1:694 3.50 (# 694:25 Double Ambig)
&rst
ixpk= 694, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 483, 484, 483, 484, 483, 484,
igr2= 477, 478, 477, 478, 477, 478,
&end
#
# 0 AMB 25-3:695 0 AMB 25-1:695 3.50 (# 695:25 Double Ambig)
&rst
ixpk= 695, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 483, 484, 483, 484,
igr2= 480, 481, 480, 481,
&end
#
# 10 PRO HD- 10 PRO HG- 3.50 (# 696:25 Unique 2.30, 2.58 A)
&rst
ixpk= 696, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 134, 135,
igr2= 137, 138,
&end
#
# 0 AMB 25-3:697 0 AMB 25-1:697 4.50 (# 697:25 Double Ambig)
&rst
ixpk= 697, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 414, 404, 149,
igr2= 480, 481, 480, 481, 137, 138,
&end
#
# 30 ARG HA 30 ARG HG+ 4.50 (# 698:25 Unique 2.48, 3.28 A)
&rst
ixpk= 698, nxpk= 25, iat= 475, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 480, 481,
&end
#
# 30 ARG HE 30 ARG HG+ 5.50 (# 699:25 Unique 2.31, 3.04 A)
&rst
ixpk= 699, nxpk= 25, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 480, 481,
&end
#
# 30 ARG HN 30 ARG HG+ 4.50 (# 700:25 Unique 1.94, 4.16 A)
&rst
ixpk= 700, nxpk= 25, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 480, 481,
&end
#
# 0 AMB 25-3:701 0 AMB 25-1:701 5.50 (# 701:25 Double Ambig)
&rst
ixpk= 701, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 473, 451,
igr2= 483, 484, 483, 484,
&end
#
# 30 ARG HA 0 AMB 25-1:702 4.50 (# 702:25 Single Ambig)
&rst
ixpk= 702, nxpk= 25, iat= 475, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 483, 484, 483, 484,
&end
#
# 0 AMB 25-3:703 0 AMB 25-1:703 4.50 (# 703:25 Double Ambig)
&rst
ixpk= 703, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 414, 404, 453,
igr2= 483, 484, 483, 484, 483, 484,
&end
#
# 0 AMB 25-3:704 0 AMB 25-1:704 3.50 (# 704:25 Double Ambig)
&rst
ixpk= 704, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 477, 478, 477, 478, 477, 478,
igr2= 483, 484, 483, 484, 483, 484,
&end
#
# 0 AMB 25-3:705 0 AMB 25-1:705 3.50 (# 705:25 Double Ambig)
&rst
ixpk= 705, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 480, 481, 480, 481,
igr2= 483, 484, 483, 484,
&end
#
# 30 ARG HG- 0 AMB 25-1:706 3.50 (# 706:25 Single Ambig)
&rst
ixpk= 706, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 480, 481,
igr2= 483, 484, 483, 484,
&end
#
# 29 LYS HG- 29 LYS HA 3.50 (# 707:25 Unique 2.35, 2.73 A)
&rst
ixpk= 707, nxpk= 25, iat= -1, 453, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 458, 459,
&end
#
# 0 AMB 25-3:708 29 LYS HA 4.50 (# 708:25 Single Ambig)
&rst
ixpk= 708, nxpk= 25, iat= -1, 453, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 461, 462, 461, 462,
&end
#
# 0 AMB 25-3:709 29 LYS HA 3.50 (# 709:25 Single Ambig)
&rst
ixpk= 709, nxpk= 25, iat= -1, 453, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 455, 456, 455, 456,
&end
#
# 0 AMB 25-3:710 29 LYS HA 3.50 (# 710:25 Single Ambig)
&rst
ixpk= 710, nxpk= 25, iat= -1, 453, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 451, 473,
&end
#
# 0 AMB 25-3:711 0 AMB 25-1:711 4.50 (# 711:25 Double Ambig)
&rst
ixpk= 711, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 473, 451,
igr2= 458, 459, 458, 459,
&end
#
# 0 AMB 25-3:712 0 AMB 25-1:712 4.50 (# 712:25 Double Ambig)
&rst
ixpk= 712, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 404, 453,
igr2= 458, 459, 458, 459,
&end
#
# 0 AMB 25-3:713 0 AMB 25-1:713 4.50 (# 713:25 Double Ambig)
&rst
ixpk= 713, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 464, 465, 464, 465,
igr2= 458, 459, 458, 459,
&end
#
# 0 AMB 25-3:714 0 AMB 25-1:714 3.50 (# 714:25 Double Ambig)
&rst
ixpk= 714, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 455, 456, 455, 456,
igr2= 458, 459, 458, 459,
&end
#
# 0 AMB 25-3:715 0 AMB 25-1:715 2.80 (# 715:25 Double Ambig)
&rst
ixpk= 715, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 461, 462, 461, 462,
igr2= 458, 459, 458, 459,
&end
#
# 0 AMB 25-3:716 29 LYS HG- 2.80 (# 716:25 Single Ambig)
&rst
ixpk= 716, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 461, 462, 461, 462,
igr2= 458, 459,
&end
#
# 0 AMB 25-3:717 29 LYS HG- 3.50 (# 717:25 Single Ambig)
&rst
ixpk= 717, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 455, 456, 455, 456,
igr2= 458, 459,
&end
#
# 0 AMB 25-3:718 29 LYS HG- 4.50 (# 718:25 Single Ambig)
&rst
ixpk= 718, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 464, 465, 464, 465,
igr2= 458, 459,
&end
#
# 0 AMB 25-3:719 29 LYS HG- 4.50 (# 719:25 Single Ambig)
&rst
ixpk= 719, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 404, 453,
igr2= 458, 459,
&end
#
# 0 AMB 25-3:720 29 LYS HG- 4.50 (# 720:25 Single Ambig)
&rst
ixpk= 720, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 473, 451,
igr2= 458, 459,
&end
#
# 7 ASP HN 6 SER HA 4.50 (# 721:25 Unique 3.08, 3.09 A)
&rst
ixpk= 721, nxpk= 25, iat= 90, 81, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 SER HN 6 SER HA 4.50 (# 722:25 Unique 2.28, 2.28 A)
&rst
ixpk= 722, nxpk= 25, iat= 79, 81, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 8 ILE HN 6 SER HA 5.50 (# 723:25 Unique 4.00, 4.04 A)
&rst
ixpk= 723, nxpk= 25, iat= 102, 81, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:724 6 SER HA 5.50 (# 724:25 Single Ambig)
&rst
ixpk= 724, nxpk= 25, iat= -1, 81, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 92, 47,
&end
#
# 6 SER HB+ 6 SER HA 2.80 (# 725:25 Unique 2.32, 2.78 A)
&rst
ixpk= 725, nxpk= 25, iat= -1, 81, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 83, 84,
&end
#
# 6 SER HB- 6 SER HA 3.50 (# 726:25 Unique 2.32, 2.78 A)
&rst
ixpk= 726, nxpk= 25, iat= -1, 81, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 83, 84,
&end
#
# 0 AMB 25-3:727 3 MET QE 5.50 (# 727:25 Single Ambig)
&rst
ixpk= 727, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 53, 55,
igr2= 39, 40, 41,
&end
#
# 6 SER HN 5 PRO HA 3.50 (# 728:25 Unique 3.34, 3.34 A)
&rst
ixpk= 728, nxpk= 25, iat= 79, 75, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 5 PRO HB+ 5 PRO HA 3.50 (# 729:25 Unique 2.30, 2.51 A)
&rst
ixpk= 729, nxpk= 25, iat= -1, 75, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 72, 73,
&end
#
# 5 PRO HB- 5 PRO HA 4.50 (# 730:25 Unique 2.30, 2.51 A)
&rst
ixpk= 730, nxpk= 25, iat= -1, 75, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 72, 73,
&end
#
# 0 AMB 25-3:731 5 PRO HA 4.50 (# 731:25 Single Ambig)
&rst
ixpk= 731, nxpk= 25, iat= -1, 75, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 69, 70, 69, 70,
&end
#
# 8 ILE QD1 5 PRO HD+ 4.50 (# 732:25 Unique 2.24, 3.54 A)
&rst
ixpk= 732, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 115, 116, 117,
igr2= 66, 67,
&end
#
# 8 ILE HG1+ 5 PRO HD+ 5.50 (# 733:25 Unique 2.41, 3.24 A)
&rst
ixpk= 733, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 112, 113,
igr2= 66, 67,
&end
#
# 0 AMB 25-3:734 0 AMB 25-1:734 3.50 (# 734:25 Double Ambig)
&rst
ixpk= 734, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 69, 70, 69, 70,
igr2= 66, 67, 66, 67,
&end
#
# 5 PRO HB- 5 PRO HD+ 4.50 (# 735:25 Unique 2.98, 3.70 A)
&rst
ixpk= 735, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 72, 73,
igr2= 66, 67,
&end
#
# 5 PRO HB+ 5 PRO HD+ 4.50 (# 736:25 Unique 2.98, 3.70 A)
&rst
ixpk= 736, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 72, 73,
igr2= 66, 67,
&end
#
# 0 AMB 25-3:737 0 AMB 25-1:737 4.50 (# 737:25 Double Ambig)
&rst
ixpk= 737, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 431, 432, 431, 432,
igr2= 66, 67, 66, 67,
&end
#
# 0 AMB 25-3:738 0 AMB 25-1:738 5.50 (# 738:25 Double Ambig)
&rst
ixpk= 738, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 75, 81,
igr2= 66, 67, 66, 67,
&end
#
# 4 PHE HA 5 PRO HD+ 2.80 (# 739:25 Unique 2.33, 2.41 A)
&rst
ixpk= 739, nxpk= 25, iat= 47, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 66, 67,
&end
#
# 4 PHE HD2 5 PRO HD+ 5.50 (# 740:25 Unique 1.99, 2.23 A)
&rst
ixpk= 740, nxpk= 25, iat= 61, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 66, 67,
&end
#
# 0 AMB 25-3:741 0 AMB 25-1:741 5.50 (# 741:25 Double Ambig)
&rst
ixpk= 741, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 446, 102,
igr2= 66, 67, 66, 67,
&end
#
# 0 AMB 25-3:742 5 PRO HD- 5.50 (# 742:25 Single Ambig)
&rst
ixpk= 742, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 446, 102,
igr2= 66, 67,
&end
#
# 4 PHE HD2 5 PRO HD- 4.50 (# 743:25 Unique 1.99, 2.23 A)
&rst
ixpk= 743, nxpk= 25, iat= 61, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 66, 67,
&end
#
# 4 PHE HA 5 PRO HD- 3.50 (# 744:25 Unique 2.33, 2.41 A)
&rst
ixpk= 744, nxpk= 25, iat= 47, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 66, 67,
&end
#
# 0 AMB 25-3:745 5 PRO HD- 5.50 (# 745:25 Single Ambig)
&rst
ixpk= 745, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 75, 81,
igr2= 66, 67,
&end
#
# 0 AMB 25-3:746 5 PRO HD- 4.50 (# 746:25 Single Ambig)
&rst
ixpk= 746, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 431, 432, 431, 432,
igr2= 66, 67,
&end
#
# 5 PRO HB+ 5 PRO HD- 5.50 (# 747:25 Unique 2.98, 3.70 A)
&rst
ixpk= 747, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 72, 73,
igr2= 66, 67,
&end
#
# 5 PRO HB- 5 PRO HD- 4.50 (# 748:25 Unique 2.98, 3.70 A)
&rst
ixpk= 748, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 72, 73,
igr2= 66, 67,
&end
#
# 0 AMB 25-3:749 5 PRO HD- 3.50 (# 749:25 Single Ambig)
&rst
ixpk= 749, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 69, 70, 69, 70,
igr2= 66, 67,
&end
#
# 8 ILE HG1+ 5 PRO HD- 5.50 (# 750:25 Unique 2.41, 3.24 A)
&rst
ixpk= 750, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 112, 113,
igr2= 66, 67,
&end
#
# 8 ILE HG1- 5 PRO HD- 5.50 (# 751:25 Unique 2.41, 3.24 A)
&rst
ixpk= 751, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 112, 113,
igr2= 66, 67,
&end
#
# 8 ILE QD1 5 PRO HD- 4.50 (# 752:25 Unique 2.24, 3.54 A)
&rst
ixpk= 752, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 115, 116, 117,
igr2= 66, 67,
&end
#
# 0 AMB 25-3:753 5 PRO HB- 4.50 (# 753:25 Single Ambig)
&rst
ixpk= 753, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 115, 116, 117, 108, 109, 110,
igr2= 72, 73,
&end
#
# 8 ILE HG1- 5 PRO HB- 5.50 (# 754:25 Unique 4.14, 4.79 A)
&rst
ixpk= 754, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 112, 113,
igr2= 72, 73,
&end
#
# 0 AMB 25-3:755 5 PRO HB- 2.80 (# 755:25 Single Ambig)
&rst
ixpk= 755, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 69, 70, 69, 70,
igr2= 72, 73,
&end
#
# 5 PRO HD- 5 PRO HB- 3.50 (# 756:25 Unique 2.98, 3.70 A)
&rst
ixpk= 756, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 66, 67,
igr2= 72, 73,
&end
#
# 5 PRO HD+ 5 PRO HB- 4.50 (# 757:25 Unique 2.98, 3.70 A)
&rst
ixpk= 757, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 66, 67,
igr2= 72, 73,
&end
#
# 5 PRO HA 5 PRO HB- 3.50 (# 758:25 Unique 2.30, 2.51 A)
&rst
ixpk= 758, nxpk= 25, iat= 75, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 72, 73,
&end
#
# 0 AMB 25-3:759 5 PRO HB- 5.50 (# 759:25 Single Ambig)
&rst
ixpk= 759, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 102, 446,
igr2= 72, 73,
&end
#
# 6 SER HN 5 PRO HB- 5.50 (# 760:25 Unique 3.88, 4.17 A)
&rst
ixpk= 760, nxpk= 25, iat= 79, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 72, 73,
&end
#
# 7 ASP HN 5 PRO HB- 5.50 (# 761:25 Unique 3.06, 3.77 A)
&rst
ixpk= 761, nxpk= 25, iat= 90, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 72, 73,
&end
#
# 6 SER HN 0 AMB 25-1:762 5.50 (# 762:25 Single Ambig)
&rst
ixpk= 762, nxpk= 25, iat= 79, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 69, 70, 69, 70,
&end
#
# 8 ILE HN 0 AMB 25-1:763 5.50 (# 763:25 Single Ambig)
&rst
ixpk= 763, nxpk= 25, iat= 102, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 69, 70, 69, 70,
&end
#
# 28 TRP HZ2 0 AMB 25-1:764 5.50 (# 764:25 Single Ambig)
&rst
ixpk= 764, nxpk= 25, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 69, 70, 69, 70,
&end
#
# 0 AMB 25-3:765 0 AMB 25-1:765 5.50 (# 765:25 Double Ambig)
&rst
ixpk= 765, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 435, 190, 192,
igr2= 69, 70, 69, 70, 69, 70, 69, 70,
&end
#
# 0 AMB 25-3:766 0 AMB 25-1:766 5.50 (# 766:25 Double Ambig)
&rst
ixpk= 766, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 61, 59,
igr2= 69, 70, 69, 70, 69, 70,
&end
#
# 0 AMB 25-3:767 0 AMB 25-1:767 5.50 (# 767:25 Double Ambig)
&rst
ixpk= 767, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 47, 92,
igr2= 69, 70, 69, 70, 69, 70,
&end
#
# 0 AMB 25-3:768 0 AMB 25-1:768 4.50 (# 768:25 Double Ambig)
&rst
ixpk= 768, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 75, 81,
igr2= 69, 70, 69, 70, 69, 70,
&end
#
# 0 AMB 25-3:769 0 AMB 25-1:769 5.50 (# 769:25 Double Ambig)
&rst
ixpk= 769, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 431, 432, 431, 432, 431, 432,
igr2= 69, 70, 69, 70, 69, 70,
&end
#
# 0 AMB 25-3:770 0 AMB 25-1:770 3.50 (# 770:25 Double Ambig)
&rst
ixpk= 770, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 66, 67, 66, 67,
igr2= 69, 70, 69, 70,
&end
#
# 5 PRO HD- 0 AMB 25-1:771 3.50 (# 771:25 Single Ambig)
&rst
ixpk= 771, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 66, 67,
igr2= 69, 70, 69, 70,
&end
#
# 0 AMB 25-3:772 0 AMB 25-1:772 3.50 (# 772:25 Double Ambig)
&rst
ixpk= 772, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 72, 73, 72, 73,
igr2= 69, 70, 69, 70,
&end
#
# 24 LEU HB- 0 AMB 25-1:774 5.50 (# 774:25 Single Ambig)
&rst
ixpk= 774, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 368, 369,
igr2= 69, 70, 69, 70,
&end
#
# 0 AMB 25-3:775 0 AMB 25-1:775 3.50 (# 775:25 Double Ambig)
&rst
ixpk= 775, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 115, 116, 117, 108, 109, 110,
igr2= 69, 70, 69, 70, 69, 70,
&end
#
# 10 PRO HG- 10 PRO HD- 3.50 (# 776:25 Unique 2.30, 2.58 A)
&rst
ixpk= 776, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 137, 138,
igr2= 134, 135,
&end
#
# 10 PRO HG+ 10 PRO HD- 3.50 (# 777:25 Unique 2.30, 2.58 A)
&rst
ixpk= 777, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 137, 138,
igr2= 134, 135,
&end
#
# 9 ASP HB- 10 PRO HD- 4.50 (# 778:25 Unique 1.82, 3.51 A)
&rst
ixpk= 778, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 125, 126,
igr2= 134, 135,
&end
#
# 9 ASP HB+ 10 PRO HD- 4.50 (# 779:25 Unique 1.82, 3.51 A)
&rst
ixpk= 779, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 125, 126,
igr2= 134, 135,
&end
#
# 0 AMB 25-3:780 10 PRO HD- 4.50 (# 780:25 Single Ambig)
&rst
ixpk= 780, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 149, 104,
igr2= 134, 135,
&end
#
# 9 ASP HA 10 PRO HD- 2.80 (# 781:25 Unique 2.34, 2.42 A)
&rst
ixpk= 781, nxpk= 25, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 134, 135,
&end
#
# 11 GLN HN 10 PRO HD- 4.50 (# 782:25 Unique 2.69, 3.27 A)
&rst
ixpk= 782, nxpk= 25, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 134, 135,
&end
#
# 11 GLN HN 10 PRO HD+ 4.50 (# 783:25 Unique 2.69, 3.27 A)
&rst
ixpk= 783, nxpk= 25, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 134, 135,
&end
#
# 9 ASP HA 10 PRO HD+ 2.80 (# 784:25 Unique 2.34, 2.42 A)
&rst
ixpk= 784, nxpk= 25, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 134, 135,
&end
#
# 0 AMB 25-3:785 0 AMB 25-1:785 4.50 (# 785:25 Double Ambig)
&rst
ixpk= 785, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 149, 104,
igr2= 134, 135, 134, 135,
&end
#
# 11 GLN HN 10 PRO HG+ 4.50 (# 787:25 Unique 2.05, 2.86 A)
&rst
ixpk= 787, nxpk= 25, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 137, 138,
&end
#
# 10 PRO HD+ 10 PRO HG+ 2.80 (# 788:25 Unique 2.30, 2.58 A)
&rst
ixpk= 788, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 134, 135,
igr2= 137, 138,
&end
#
# 0 AMB 25-3:791 15 GLU HB- 3.50 (# 791:25 Single Ambig)
&rst
ixpk= 791, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 228, 229, 228, 229,
igr2= 225, 226,
&end
#
# 12 VAL HA 15 GLU HB- 4.50 (# 792:25 Unique 2.64, 3.40 A)
&rst
ixpk= 792, nxpk= 25, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 225, 226,
&end
#
# 15 GLU HA 15 GLU HB- 3.50 (# 793:25 Unique 2.25, 2.80 A)
&rst
ixpk= 793, nxpk= 25, iat= 223, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 225, 226,
&end
#
# 15 GLU HN 15 GLU HB- 3.50 (# 794:25 Unique 2.10, 2.69 A)
&rst
ixpk= 794, nxpk= 25, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 225, 226,
&end
#
# 15 GLU HN 15 GLU HB+ 3.50 (# 795:25 Unique 2.10, 2.69 A)
&rst
ixpk= 795, nxpk= 25, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 225, 226,
&end
#
# 15 GLU HA 15 GLU HB+ 3.50 (# 796:25 Unique 2.25, 2.80 A)
&rst
ixpk= 796, nxpk= 25, iat= 223, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 225, 226,
&end
#
# 12 VAL HA 15 GLU HB+ 5.50 (# 797:25 Unique 2.64, 3.40 A)
&rst
ixpk= 797, nxpk= 25, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 225, 226,
&end
#
# 0 AMB 25-3:798 0 AMB 25-1:798 3.50 (# 798:25 Double Ambig)
&rst
ixpk= 798, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 228, 229, 228, 229,
igr2= 225, 226, 225, 226,
&end
#
# 7 ASP HN 7 ASP HA 3.50 (# 799:25 Unique 2.95, 2.95 A)
&rst
ixpk= 799, nxpk= 25, iat= 90, 92, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 8 ILE HN 7 ASP HA 3.50 (# 800:25 Unique 3.42, 3.43 A)
&rst
ixpk= 800, nxpk= 25, iat= 102, 92, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 7 ASP HB+ 7 ASP HA 2.80 (# 801:25 Unique 2.39, 2.80 A)
&rst
ixpk= 801, nxpk= 25, iat= -1, 92, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 94, 95,
&end
#
# 24 LEU HN 24 LEU HG 3.50 (# 802:25 Unique 3.62, 3.63 A)
&rst
ixpk= 802, nxpk= 25, iat= 364, 371, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 30 ARG HA 30 ARG HG- 4.50 (# 803:25 Unique 2.48, 3.28 A)
&rst
ixpk= 803, nxpk= 25, iat= 475, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 480, 481,
&end
#
# 27 GLU HA 30 ARG HG- 4.50 (# 804:25 Unique 3.20, 4.73 A)
&rst
ixpk= 804, nxpk= 25, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 480, 481,
&end
#
# 0 AMB 25-3:805 30 ARG HG- 3.50 (# 805:25 Single Ambig)
&rst
ixpk= 805, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 483, 484, 483, 484,
igr2= 480, 481,
&end
#
# 0 AMB 25-3:806 24 LEU HG 4.50 (# 806:25 Single Ambig)
&rst
ixpk= 806, nxpk= 25, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 366, 296,
&end
#
# 0 AMB 25-3:807 30 ARG HG- 2.80 (# 807:25 Single Ambig)
&rst
ixpk= 807, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 477, 478, 477, 478, 455, 456,
igr2= 480, 481,
&end
#
# 20 VAL QG- 24 LEU HG 4.50 (# 808:25 Unique 2.69, 4.83 A)
&rst
ixpk= 808, nxpk= 25, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 300, 301, 302, 304, 305, 306,
&end
#
# 0 AMB 25-3:809 24 LEU HG 2.80 (# 809:25 Single Ambig)
&rst
ixpk= 809, nxpk= 25, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 373, 374, 375, 377, 378, 379, 373, 374, 375, 377,
378, 379,
&end
#
# 0 AMB 25-3:810 2 HIS HA 3.50 (# 810:25 Single Ambig)
&rst
ixpk= 810, nxpk= 25, iat= -1, 13, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 15, 16, 15, 16,
&end
#
# 2 HIS HA 0 AMB 25-1:811 4.50 (# 811:25 Single Ambig)
&rst
ixpk= 811, nxpk= 25, iat= 13, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 6, 7, 6, 7,
&end
#
# 2 HIS HA 0 AMB 25-1:812 4.50 (# 812:25 Single Ambig)
&rst
ixpk= 812, nxpk= 25, iat= 13, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 15, 16, 15, 16,
&end
#
# 9 ASP HN 9 ASP HB+ 3.50 (# 813:25 Unique 2.09, 2.83 A)
&rst
ixpk= 813, nxpk= 25, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 125, 126,
&end
#
# 12 VAL HN 9 ASP HB+ 5.50 (# 814:25 Unique 2.39, 3.00 A)
&rst
ixpk= 814, nxpk= 25, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 125, 126,
&end
#
# 9 ASP HA 9 ASP HB+ 3.50 (# 815:25 Unique 2.34, 2.82 A)
&rst
ixpk= 815, nxpk= 25, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 125, 126,
&end
#
# 0 AMB 25-3:816 0 AMB 25-1:816 5.50 (# 816:25 Double Ambig)
&rst
ixpk= 816, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 104, 149,
igr2= 125, 126, 125, 126,
&end
#
# 10 PRO HD+ 9 ASP HB+ 5.50 (# 817:25 Unique 1.82, 3.51 A)
&rst
ixpk= 817, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 134, 135,
igr2= 125, 126,
&end
#
# 12 VAL HB 9 ASP HB+ 4.50 (# 818:25 Unique 2.93, 3.60 A)
&rst
ixpk= 818, nxpk= 25, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 125, 126,
&end
#
# 12 VAL QG- 9 ASP HB+ 3.50 (# 819:25 Unique 2.00, 4.31 A)
&rst
ixpk= 819, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 170, 171, 172, 174, 175, 176,
igr2= 125, 126,
&end
#
# 12 VAL QG- 9 ASP HB- 4.50 (# 820:25 Unique 2.00, 4.31 A)
&rst
ixpk= 820, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 170, 171, 172, 174, 175, 176,
igr2= 125, 126,
&end
#
# 0 AMB 25-3:821 9 ASP HB- 5.50 (# 821:25 Single Ambig)
&rst
ixpk= 821, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 151, 152, 151, 152,
igr2= 125, 126,
&end
#
# 12 VAL HB 9 ASP HB- 4.50 (# 822:25 Unique 2.93, 3.60 A)
&rst
ixpk= 822, nxpk= 25, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 125, 126,
&end
#
# 10 PRO HD+ 9 ASP HB- 4.50 (# 823:25 Unique 1.82, 3.51 A)
&rst
ixpk= 823, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 134, 135,
igr2= 125, 126,
&end
#
# 0 AMB 25-3:824 9 ASP HB- 5.50 (# 824:25 Single Ambig)
&rst
ixpk= 824, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 104, 149,
igr2= 125, 126,
&end
#
# 9 ASP HA 9 ASP HB- 3.50 (# 825:25 Unique 2.34, 2.82 A)
&rst
ixpk= 825, nxpk= 25, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 125, 126,
&end
#
# 12 VAL HN 9 ASP HB- 5.50 (# 826:25 Unique 2.39, 3.00 A)
&rst
ixpk= 826, nxpk= 25, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 125, 126,
&end
#
# 9 ASP HN 9 ASP HB- 3.50 (# 827:25 Unique 2.09, 2.83 A)
&rst
ixpk= 827, nxpk= 25, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 125, 126,
&end
#
# 0 AMB 25-3:828 0 AMB 25-1:828 2.80 (# 828:25 Double Ambig)
&rst
ixpk= 828, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 416, 417, 416, 417, 416, 417,
igr2= 419, 420, 419, 420, 419, 420,
&end
#
# 27 GLU HA 0 AMB 25-1:829 4.50 (# 829:25 Single Ambig)
&rst
ixpk= 829, nxpk= 25, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 419, 420, 419, 420,
&end
#
# 0 AMB 25-3:830 0 AMB 25-1:830 4.50 (# 830:25 Double Ambig)
&rst
ixpk= 830, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 412, 451,
igr2= 419, 420, 419, 420, 419, 420,
&end
#
# 14 TYR HA 0 AMB 25-1:831 5.50 (# 831:25 Single Ambig)
&rst
ixpk= 831, nxpk= 25, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 184, 185, 184, 185,
&end
#
# 20 VAL HB 20 VAL HA 3.50 (# 832:25 Unique 3.01, 3.02 A)
&rst
ixpk= 832, nxpk= 25, iat= 298, 296, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 10 PRO HG- 10 PRO HD+ 3.50 (# 833:25 Unique 2.30, 2.58 A)
&rst
ixpk= 833, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 137, 138,
igr2= 134, 135,
&end
#
# 10 PRO HG+ 10 PRO HD+ 2.80 (# 834:25 Unique 2.30, 2.58 A)
&rst
ixpk= 834, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 137, 138,
igr2= 134, 135,
&end
#
# 9 ASP HB- 10 PRO HD+ 4.50 (# 835:25 Unique 1.82, 3.51 A)
&rst
ixpk= 835, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 125, 126,
igr2= 134, 135,
&end
#
# 9 ASP HB+ 10 PRO HD+ 4.50 (# 836:25 Unique 1.82, 3.51 A)
&rst
ixpk= 836, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 125, 126,
igr2= 134, 135,
&end
#
# 0 AMB 25-3:837 17 PRO HD- 4.50 (# 837:25 Single Ambig)
&rst
ixpk= 837, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 317, 318, 243, 314, 315,
igr2= 256, 257,
&end
#
# 0 AMB 25-3:838 8 ILE HG1- 4.50 (# 838:25 Single Ambig)
&rst
ixpk= 838, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 69, 70, 69, 70,
igr2= 112, 113,
&end
#
# 8 ILE HN 8 ILE QG2 4.50 (# 839:25 Unique 3.53, 3.99 A)
&rst
ixpk= 839, nxpk= 25, iat= 102, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 108, 109, 110,
&end
#
# 16 LEU QD+ 16 LEU HG 2.80 (# 840:25 Unique 2.22, 2.63 A)
&rst
ixpk= 840, nxpk= 25, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 245, 246, 247, 249, 250, 251,
&end
#
# 16 LEU HB+ 17 PRO HD+ 4.50 (# 841:25 Unique 1.94, 3.36 A)
&rst
ixpk= 841, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 240, 241,
igr2= 256, 257,
&end
#
# 16 LEU HB+ 17 PRO HD- 3.50 (# 842:25 Unique 1.94, 3.36 A)
&rst
ixpk= 842, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 240, 241,
igr2= 256, 257,
&end
#
# 0 AMB 25-3:843 19 ALA QB 4.50 (# 843:25 Single Ambig)
&rst
ixpk= 843, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 259, 260, 259, 260, 273, 274,
igr2= 288, 289, 290,
&end
#
# 23 GLU HA 24 LEU QD+ 5.50 (# 844:25 Unique 4.96, 6.76 A)
&rst
ixpk= 844, nxpk= 25, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 23 GLU HG+ 24 LEU QD- 5.50 (# 845:25 Unique 3.00, 6.89 A)
&rst
ixpk= 845, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 356, 357,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 0 AMB 25-3:846 15 GLU HA 4.50 (# 846:25 Single Ambig)
&rst
ixpk= 846, nxpk= 25, iat= -1, 223, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 228, 229, 228, 229,
&end
#
# 20 VAL HN 19 ALA HA 4.50 (# 847:25 Unique 3.57, 3.57 A)
&rst
ixpk= 847, nxpk= 25, iat= 294, 286, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:848 19 ALA HA 4.50 (# 848:25 Single Ambig)
&rst
ixpk= 848, nxpk= 25, iat= -1, 286, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 353, 354, 259, 260, 259, 260,
&end
#
# 12 VAL HB 12 VAL QG- 2.80 (# 849:25 Unique 2.35, 2.63 A)
&rst
ixpk= 849, nxpk= 25, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 170, 171, 172, 174, 175, 176,
&end
#
# 9 ASP HB- 12 VAL QG- 4.50 (# 850:25 Unique 2.00, 4.31 A)
&rst
ixpk= 850, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 125, 126,
igr2= 170, 171, 172, 174, 175, 176,
&end
#
# 9 ASP HB+ 12 VAL QG- 3.50 (# 851:25 Unique 2.00, 4.31 A)
&rst
ixpk= 851, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 125, 126,
igr2= 170, 171, 172, 174, 175, 176,
&end
#
# 0 AMB 25-3:852 0 AMB 25-1:852 2.80 (# 852:25 Double Ambig)
&rst
ixpk= 852, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 166, 296,
igr2= 170, 171, 172, 174, 175, 176, 300, 301, 302, 304,
305, 306,
&end
#
# 12 VAL HN 12 VAL QG- 3.50 (# 853:25 Unique 1.94, 3.69 A)
&rst
ixpk= 853, nxpk= 25, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 170, 171, 172, 174, 175, 176,
&end
#
# 13 PHE HN 12 VAL QG- 4.50 (# 854:25 Unique 3.19, 4.19 A)
&rst
ixpk= 854, nxpk= 25, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 170, 171, 172, 174, 175, 176,
&end
#
# 9 ASP HN 12 VAL QG- 4.50 (# 855:25 Unique 3.12, 4.58 A)
&rst
ixpk= 855, nxpk= 25, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 170, 171, 172, 174, 175, 176,
&end
#
# 0 AMB 25-3:856 0 AMB 25-1:856 4.50 (# 856:25 Double Ambig)
&rst
ixpk= 856, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 317, 318, 243, 314, 315,
igr2= 256, 257, 256, 257, 256, 257,
&end
#
# 30 ARG HE 0 AMB 25-1:857 5.50 (# 857:25 Single Ambig)
&rst
ixpk= 857, nxpk= 25, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 483, 484, 483, 484,
&end
#
# 0 AMB 25-3:858 0 AMB 25-1:858 5.50 (# 858:25 Double Ambig)
&rst
ixpk= 858, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 151, 152, 151, 152,
igr2= 125, 126, 125, 126,
&end
#
# 12 VAL QG+ 9 ASP HB+ 5.50 (# 859:25 Unique 2.00, 4.31 A)
&rst
ixpk= 859, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 170, 171, 172, 174, 175, 176,
igr2= 125, 126,
&end
#
# 7 ASP HA 7 ASP HB- 4.50 (# 860:25 Unique 2.39, 2.80 A)
&rst
ixpk= 860, nxpk= 25, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 94, 95,
&end
#
# 7 ASP HA 7 ASP HB+ 4.50 (# 861:25 Unique 2.39, 2.80 A)
&rst
ixpk= 861, nxpk= 25, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 94, 95,
&end
#
# 23 GLU HN 23 GLU HG- 5.50 (# 862:25 Unique 2.31, 3.70 A)
&rst
ixpk= 862, nxpk= 25, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 356, 357,
&end
#
# 23 GLU HN 23 GLU HG+ 5.50 (# 863:25 Unique 2.31, 3.70 A)
&rst
ixpk= 863, nxpk= 25, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 356, 357,
&end
#
# 23 GLU HA 23 GLU HG- 5.50 (# 864:25 Unique 2.13, 2.75 A)
&rst
ixpk= 864, nxpk= 25, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 356, 357,
&end
#
# 21 GLN HN 21 GLN HG+ 3.50 (# 865:25 Unique 2.52, 3.40 A)
&rst
ixpk= 865, nxpk= 25, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 317, 318,
&end
#
# 21 GLN HE2- 21 GLN HG+ 3.50 (# 866:25 Unique 2.12, 3.22 A)
&rst
ixpk= 866, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 322, 323,
igr2= 317, 318,
&end
#
# 0 AMB 25-3:867 0 AMB 25-1:867 4.50 (# 867:25 Double Ambig)
&rst
ixpk= 867, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 194, 192,
igr2= 317, 318, 317, 318,
&end
#
# 0 AMB 25-3:868 0 AMB 25-1:868 4.50 (# 868:25 Double Ambig)
&rst
ixpk= 868, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 322, 323, 196,
igr2= 317, 318, 317, 318,
&end
#
# 0 AMB 25-3:869 0 AMB 25-1:869 4.50 (# 869:25 Double Ambig)
&rst
ixpk= 869, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 271, 296,
igr2= 317, 318, 317, 318,
&end
#
# 21 GLN HA 21 GLN HG+ 3.50 (# 870:25 Unique 2.08, 2.66 A)
&rst
ixpk= 870, nxpk= 25, iat= 312, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 317, 318,
&end
#
# 0 AMB 25-3:871 0 AMB 25-1:871 3.50 (# 871:25 Double Ambig)
&rst
ixpk= 871, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 451, 473,
igr2= 455, 456, 455, 456, 455, 456,
&end
#
# 11 GLN HN 10 PRO HB- 4.50 (# 872:25 Unique 3.04, 3.52 A)
&rst
ixpk= 872, nxpk= 25, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 140, 141,
&end
#
# 11 GLN HN 10 PRO HB+ 5.50 (# 873:25 Unique 3.04, 3.52 A)
&rst
ixpk= 873, nxpk= 25, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 140, 141,
&end
#
# 0 AMB 25-3:874 0 AMB 25-1:874 5.50 (# 874:25 Double Ambig)
&rst
ixpk= 874, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 440, 322, 323,
igr2= 72, 73, 298,
&end
#
# 14 TYR HE2 10 PRO HB+ 4.50 (# 875:25 Unique 2.88, 3.19 A)
&rst
ixpk= 875, nxpk= 25, iat= 215, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 140, 141,
&end
#
# 14 TYR HE2 10 PRO HB- 5.50 (# 876:25 Unique 2.88, 3.19 A)
&rst
ixpk= 876, nxpk= 25, iat= 215, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 140, 141,
&end
#
# 0 AMB 25-3:877 10 PRO HB- 3.50 (# 877:25 Single Ambig)
&rst
ixpk= 877, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 143, 134, 135,
igr2= 140, 141,
&end
#
# 0 AMB 25-3:878 0 AMB 25-1:878 3.50 (# 878:25 Double Ambig)
&rst
ixpk= 878, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 143, 134, 135,
igr2= 140, 141, 140, 141,
&end
#
# 10 PRO HD+ 10 PRO HB- 3.50 (# 879:25 Unique 2.98, 3.70 A)
&rst
ixpk= 879, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 134, 135,
igr2= 140, 141,
&end
#
# 0 AMB 25-3:880 10 PRO HB- 5.50 (# 880:25 Single Ambig)
&rst
ixpk= 880, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 125, 126, 184, 185, 184, 185, 49, 50,
igr2= 140, 141,
&end
#
# 10 PRO HG- 10 PRO HB- 3.50 (# 881:25 Unique 2.32, 2.58 A)
&rst
ixpk= 881, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 137, 138,
igr2= 140, 141,
&end
#
# 0 AMB 25-3:882 0 AMB 25-1:882 2.80 (# 882:25 Double Ambig)
&rst
ixpk= 882, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 453, 404,
igr2= 455, 456, 455, 456, 455, 456,
&end
#
# 0 AMB 25-3:883 0 AMB 25-1:883 3.50 (# 883:25 Double Ambig)
&rst
ixpk= 883, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 180, 327,
igr2= 166, 296,
&end
#
# 0 AMB 25-3:884 0 AMB 25-1:884 3.50 (# 884:25 Double Ambig)
&rst
ixpk= 884, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 170, 171, 172, 174, 175, 176, 300, 301, 302, 304,
305, 306,
igr2= 166, 296,
&end
#
# 4 PHE HE2 0 AMB 25-1:885 5.50 (# 885:25 Single Ambig)
&rst
ixpk= 885, nxpk= 25, iat= 59, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 431, 432, 431, 432,
&end
#
# 8 ILE HN 8 ILE HA 3.50 (# 886:25 Unique 2.94, 2.95 A)
&rst
ixpk= 886, nxpk= 25, iat= 102, 104, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 21 GLN HE2+ 18 GLU HA 4.50 (# 887:25 Unique 3.12, 4.60 A)
&rst
ixpk= 887, nxpk= 25, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 322, 323,
&end
#
# 21 GLN HA 25 LEU HG 5.50 (# 888:25 Unique 3.26, 3.57 A)
&rst
ixpk= 888, nxpk= 25, iat= 312, 390, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 ALA QB 23 GLU HA 3.50 (# 889:25 Unique 2.35, 3.80 A)
&rst
ixpk= 889, nxpk= 25, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 406, 407, 408,
&end
#
# 26 ALA HN 23 GLU HA 4.50 (# 890:25 Unique 3.60, 3.95 A)
&rst
ixpk= 890, nxpk= 25, iat= 402, 351, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 23 GLU HN 23 GLU HA 3.50 (# 891:25 Unique 2.79, 2.82 A)
&rst
ixpk= 891, nxpk= 25, iat= 349, 351, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 24 LEU HN 23 GLU HA 4.50 (# 892:25 Unique 3.56, 3.57 A)
&rst
ixpk= 892, nxpk= 25, iat= 364, 351, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:893 23 GLU HA 2.80 (# 893:25 Single Ambig)
&rst
ixpk= 893, nxpk= 25, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 353, 354, 353, 354,
&end
#
# 23 GLU HG+ 23 GLU HA 3.50 (# 894:25 Unique 2.13, 2.75 A)
&rst
ixpk= 894, nxpk= 25, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 356, 357,
&end
#
# 0 AMB 25-3:895 0 AMB 25-1:895 3.50 (# 895:25 Double Ambig)
&rst
ixpk= 895, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 356, 357, 154, 155,
igr2= 351, 149,
&end
#
# 0 AMB 25-3:896 27 GLU HA 3.50 (# 896:25 Single Ambig)
&rst
ixpk= 896, nxpk= 25, iat= -1, 414, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 419, 420, 419, 420,
&end
#
# 0 AMB 25-3:897 0 AMB 25-1:897 2.80 (# 897:25 Double Ambig)
&rst
ixpk= 897, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 416, 417, 416, 417, 151, 152, 151, 152,
igr2= 414, 149,
&end
#
# 0 AMB 25-3:898 27 GLU HA 3.50 (# 898:25 Single Ambig)
&rst
ixpk= 898, nxpk= 25, iat= -1, 414, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 477, 478, 477, 478,
&end
#
# 29 LYS HG- 30 ARG HA 5.50 (# 899:25 Unique 3.61, 5.12 A)
&rst
ixpk= 899, nxpk= 25, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 458, 459,
&end
#
# 0 AMB 25-3:900 0 AMB 25-1:900 3.50 (# 900:25 Double Ambig)
&rst
ixpk= 900, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 21, 310,
igr2= 32, 33, 32, 33, 331, 332, 331, 332,
&end
#
# 0 AMB 25-3:901 24 LEU HG 4.50 (# 901:25 Single Ambig)
&rst
ixpk= 901, nxpk= 25, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 368, 369, 245, 246, 247, 249, 250, 251,
&end
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