NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
489859 |
2l0g   |
cing | 1-original | 7 | AMBER | distance | NOE | ambi |
#
# 13 PHE HZ 20 VAL QQG 4.50 (# 24:65 )
&rst
ixpk= 24, nxpk= 65, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr2= 300, 301, 302, 304, 305, 306,
&end
#
# 0 AMB 15-3:0 4 PHE HN 4.50 (# 0:15 Single Ambig)
&rst
ixpk= 0, nxpk= 15, iat= -1, 45, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr1= 32, 33, 32, 33,
&end
#
# 4 PHE HB+ 4 PHE HN 3.50 (# 1:15 Unique 2.21, 2.93 A)
&rst
ixpk= 1, nxpk= 15, iat= -1, 45, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 49, 50,
&end
#
# 4 PHE HB- 4 PHE HN 4.50 (# 2:15 Unique 2.21, 2.93 A)
&rst
ixpk= 2, nxpk= 15, iat= -1, 45, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 49, 50,
&end
#
# 3 MET HA 4 PHE HN 3.50 (# 3:15 Unique 2.42, 3.34 A)
&rst
ixpk= 3, nxpk= 15, iat= 30, 45, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-3:4 4 PHE HN 5.50 (# 4:15 Single Ambig)
&rst
ixpk= 4, nxpk= 15, iat= -1, 45, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 53, 61,
&end
#
# 8 ILE HN 7 ASP HN 4.50 (# 5:15 Unique 1.86, 1.87 A)
&rst
ixpk= 5, nxpk= 15, iat= 102, 90, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 7 ASP HA 7 ASP HN 3.50 (# 6:15 Unique 2.95, 2.95 A)
&rst
ixpk= 6, nxpk= 15, iat= 92, 90, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-3:7 7 ASP HN 4.50 (# 7:15 Single Ambig)
&rst
ixpk= 7, nxpk= 15, iat= -1, 90, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 81, 75,
&end
#
# 6 SER HB+ 7 ASP HN 4.50 (# 8:15 Unique 3.88, 4.14 A)
&rst
ixpk= 8, nxpk= 15, iat= -1, 90, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 83, 84,
&end
#
# 7 ASP HB+ 7 ASP HN 3.50 (# 9:15 Unique 2.41, 2.92 A)
&rst
ixpk= 9, nxpk= 15, iat= -1, 90, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 94, 95,
&end
#
# 5 PRO HB+ 7 ASP HN 5.50 (# 10:15 Unique 3.06, 3.77 A)
&rst
ixpk= 10, nxpk= 15, iat= -1, 90, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 72, 73,
&end
#
# 5 PRO HB- 7 ASP HN 4.50 (# 11:15 Unique 3.06, 3.77 A)
&rst
ixpk= 11, nxpk= 15, iat= -1, 90, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 72, 73,
&end
#
# 0 AMB 15-3:13 8 ILE HN 4.50 (# 13:15 Single Ambig)
&rst
ixpk= 13, nxpk= 15, iat= -1, 102, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 108, 109, 110, 115, 116, 117,
&end
#
# 8 ILE HG1- 8 ILE HN 4.50 (# 14:15 Unique 1.97, 2.23 A)
&rst
ixpk= 14, nxpk= 15, iat= -1, 102, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 112, 113,
&end
#
# 8 ILE HG1+ 8 ILE HN 4.50 (# 15:15 Unique 1.97, 2.23 A)
&rst
ixpk= 15, nxpk= 15, iat= -1, 102, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 112, 113,
&end
#
# 0 AMB 15-3:16 8 ILE HN 3.50 (# 16:15 Single Ambig)
&rst
ixpk= 16, nxpk= 15, iat= -1, 102, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 106, 72, 73,
&end
#
# 0 AMB 15-3:17 8 ILE HN 4.50 (# 17:15 Single Ambig)
&rst
ixpk= 17, nxpk= 15, iat= -1, 102, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 94, 95, 49, 50,
&end
#
# 8 ILE HA 8 ILE HN 4.50 (# 18:15 Unique 2.94, 2.95 A)
&rst
ixpk= 18, nxpk= 15, iat= 104, 102, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 7 ASP HA 8 ILE HN 4.50 (# 19:15 Unique 3.42, 3.43 A)
&rst
ixpk= 19, nxpk= 15, iat= 92, 102, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 7 ASP HN 8 ILE HN 4.50 (# 20:15 Unique 1.86, 1.87 A)
&rst
ixpk= 20, nxpk= 15, iat= 90, 102, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-3:21 9 ASP HN 4.50 (# 21:15 Single Ambig)
&rst
ixpk= 21, nxpk= 15, iat= -1, 121, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 102, 164,
&end
#
# 9 ASP HA 9 ASP HN 3.50 (# 22:15 Unique 2.77, 2.78 A)
&rst
ixpk= 22, nxpk= 15, iat= 123, 121, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 8 ILE HA 9 ASP HN 2.80 (# 23:15 Unique 2.14, 2.14 A)
&rst
ixpk= 23, nxpk= 15, iat= 104, 121, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 9 ASP HB+ 9 ASP HN 3.50 (# 24:15 Unique 2.09, 2.83 A)
&rst
ixpk= 24, nxpk= 15, iat= -1, 121, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 125, 126,
&end
#
# 9 ASP HB- 9 ASP HN 3.50 (# 25:15 Unique 2.09, 2.83 A)
&rst
ixpk= 25, nxpk= 15, iat= -1, 121, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 125, 126,
&end
#
# 12 VAL HB 9 ASP HN 4.50 (# 26:15 Unique 3.40, 3.46 A)
&rst
ixpk= 26, nxpk= 15, iat= 168, 121, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 8 ILE HB 9 ASP HN 4.50 (# 27:15 Unique 3.44, 3.46 A)
&rst
ixpk= 27, nxpk= 15, iat= 106, 121, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 8 ILE HG1+ 9 ASP HN 5.50 (# 28:15 Unique 4.68, 5.08 A)
&rst
ixpk= 28, nxpk= 15, iat= -1, 121, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 112, 113,
&end
#
# 8 ILE HG1- 9 ASP HN 5.50 (# 29:15 Unique 4.68, 5.08 A)
&rst
ixpk= 29, nxpk= 15, iat= -1, 121, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 112, 113,
&end
#
# 12 VAL QG- 9 ASP HN 5.50 (# 30:15 Unique 3.12, 4.58 A)
&rst
ixpk= 30, nxpk= 15, iat= -1, 121, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 170, 171, 172, 174, 175, 176,
&end
#
# 0 AMB 15-3:31 9 ASP HN 4.50 (# 31:15 Single Ambig)
&rst
ixpk= 31, nxpk= 15, iat= -1, 121, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 108, 109, 110, 115, 116, 117,
&end
#
# 12 VAL QG- 11 GLN HN 5.50 (# 32:15 Unique 3.96, 6.06 A)
&rst
ixpk= 32, nxpk= 15, iat= -1, 147, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 170, 171, 172, 174, 175, 176,
&end
#
# 10 PRO HG- 11 GLN HN 5.50 (# 33:15 Unique 2.05, 2.86 A)
&rst
ixpk= 33, nxpk= 15, iat= -1, 147, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 137, 138,
&end
#
# 0 AMB 15-3:34 11 GLN HN 3.50 (# 34:15 Single Ambig)
&rst
ixpk= 34, nxpk= 15, iat= -1, 147, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 151, 152, 151, 152,
&end
#
# 11 GLN HG- 11 GLN HN 4.50 (# 35:15 Unique 1.97, 3.48 A)
&rst
ixpk= 35, nxpk= 15, iat= -1, 147, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 154, 155,
&end
#
# 9 ASP HB+ 11 GLN HN 4.50 (# 36:15 Unique 2.74, 3.58 A)
&rst
ixpk= 36, nxpk= 15, iat= -1, 147, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 125, 126,
&end
#
# 10 PRO HD+ 11 GLN HN 4.50 (# 37:15 Unique 2.69, 3.27 A)
&rst
ixpk= 37, nxpk= 15, iat= -1, 147, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 134, 135,
&end
#
# 11 GLN HA 11 GLN HN 3.50 (# 38:15 Unique 2.82, 2.82 A)
&rst
ixpk= 38, nxpk= 15, iat= 149, 147, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 9 ASP HA 11 GLN HN 4.50 (# 39:15 Unique 4.46, 4.47 A)
&rst
ixpk= 39, nxpk= 15, iat= 123, 147, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 12 VAL HN 11 GLN HN 3.50 (# 40:15 Unique 2.63, 2.64 A)
&rst
ixpk= 40, nxpk= 15, iat= 164, 147, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 11 GLN HN 12 VAL HN 3.50 (# 41:15 Unique 2.63, 2.64 A)
&rst
ixpk= 41, nxpk= 15, iat= 147, 164, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 13 PHE HN 12 VAL HN 3.50 (# 42:15 Unique 2.91, 2.92 A)
&rst
ixpk= 42, nxpk= 15, iat= 180, 164, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 11 GLN HA 12 VAL HN 4.50 (# 43:15 Unique 3.53, 3.53 A)
&rst
ixpk= 43, nxpk= 15, iat= 149, 164, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-3:44 12 VAL HN 4.50 (# 44:15 Single Ambig)
&rst
ixpk= 44, nxpk= 15, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 166, 134, 135,
&end
#
# 9 ASP HB+ 12 VAL HN 4.50 (# 45:15 Unique 2.39, 3.00 A)
&rst
ixpk= 45, nxpk= 15, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 125, 126,
&end
#
# 11 GLN HG+ 12 VAL HN 5.50 (# 46:15 Unique 2.20, 4.67 A)
&rst
ixpk= 46, nxpk= 15, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 154, 155,
&end
#
# 12 VAL HB 12 VAL HN 3.50 (# 47:15 Unique 2.57, 2.64 A)
&rst
ixpk= 47, nxpk= 15, iat= 168, 164, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 12 VAL QG- 12 VAL HN 3.50 (# 48:15 Unique 1.94, 3.69 A)
&rst
ixpk= 48, nxpk= 15, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 170, 171, 172, 174, 175, 176,
&end
#
# 0 AMB 15-3:49 13 PHE HN 4.50 (# 49:15 Single Ambig)
&rst
ixpk= 49, nxpk= 15, iat= -1, 180, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 115, 116, 117, 108, 109, 110,
&end
#
# 12 VAL QG+ 13 PHE HN 4.50 (# 50:15 Unique 3.19, 4.19 A)
&rst
ixpk= 50, nxpk= 15, iat= -1, 180, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 170, 171, 172, 174, 175, 176,
&end
#
# 0 AMB 15-3:51 13 PHE HN 5.50 (# 51:15 Single Ambig)
&rst
ixpk= 51, nxpk= 15, iat= -1, 180, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 225, 226, 137, 138,
&end
#
# 12 VAL HB 13 PHE HN 3.50 (# 52:15 Unique 2.10, 2.12 A)
&rst
ixpk= 52, nxpk= 15, iat= 168, 180, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-3:53 13 PHE HN 2.80 (# 53:15 Single Ambig)
&rst
ixpk= 53, nxpk= 15, iat= -1, 180, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 184, 185, 184, 185,
&end
#
# 12 VAL HA 13 PHE HN 4.50 (# 54:15 Unique 3.57, 3.57 A)
&rst
ixpk= 54, nxpk= 15, iat= 166, 180, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-3:55 13 PHE HN 3.50 (# 55:15 Single Ambig)
&rst
ixpk= 55, nxpk= 15, iat= -1, 180, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 182, 143,
&end
#
# 0 AMB 15-3:56 13 PHE HN 5.50 (# 56:15 Single Ambig)
&rst
ixpk= 56, nxpk= 15, iat= -1, 180, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 149, 104,
&end
#
# 0 AMB 15-3:57 13 PHE HN 4.50 (# 57:15 Single Ambig)
&rst
ixpk= 57, nxpk= 15, iat= -1, 180, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 188, 196,
&end
#
# 12 VAL HN 13 PHE HN 3.50 (# 58:15 Unique 2.91, 2.92 A)
&rst
ixpk= 58, nxpk= 15, iat= 164, 180, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 11 GLN HN 13 PHE HN 4.50 (# 59:15 Unique 4.64, 4.64 A)
&rst
ixpk= 59, nxpk= 15, iat= 147, 180, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-3:60 0 AMB 15-1:60 3.50 (# 60:15 Double Ambig)
&rst
ixpk= 60, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 221, 102,
igr2= 200, 79,
&end
#
# 0 AMB 15-3:61 14 TYR HN 4.50 (# 61:15 Single Ambig)
&rst
ixpk= 61, nxpk= 15, iat= -1, 200, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 217, 208,
&end
#
# 0 AMB 15-3:62 14 TYR HN 4.50 (# 62:15 Single Ambig)
&rst
ixpk= 62, nxpk= 15, iat= -1, 200, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 196, 322, 323, 188,
&end
#
# 14 TYR HA 14 TYR HN 4.50 (# 63:15 Unique 2.78, 2.78 A)
&rst
ixpk= 63, nxpk= 15, iat= 202, 200, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-3:64 6 SER HN 3.50 (# 64:15 Single Ambig)
&rst
ixpk= 64, nxpk= 15, iat= -1, 79, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 81, 75,
&end
#
# 0 AMB 15-3:65 0 AMB 15-1:65 4.50 (# 65:15 Double Ambig)
&rst
ixpk= 65, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 83, 84, 166,
igr2= 79, 200,
&end
#
# 14 TYR HB+ 14 TYR HN 4.50 (# 66:15 Unique 2.23, 2.90 A)
&rst
ixpk= 66, nxpk= 15, iat= -1, 200, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 204, 205,
&end
#
# 14 TYR HB- 14 TYR HN 3.50 (# 67:15 Unique 2.23, 2.90 A)
&rst
ixpk= 67, nxpk= 15, iat= -1, 200, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 204, 205,
&end
#
# 0 AMB 15-3:68 0 AMB 15-1:68 3.50 (# 68:15 Double Ambig)
&rst
ixpk= 68, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 49, 50, 184, 185, 184, 185,
igr2= 79, 200,
&end
#
# 0 AMB 15-3:69 0 AMB 15-1:69 4.50 (# 69:15 Double Ambig)
&rst
ixpk= 69, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 72, 73, 225, 226, 140, 141,
igr2= 79, 200,
&end
#
# 15 GLU HB- 15 GLU HN 3.50 (# 70:15 Unique 2.10, 2.69 A)
&rst
ixpk= 70, nxpk= 15, iat= -1, 221, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 225, 226,
&end
#
# 15 GLU HB+ 15 GLU HN 4.50 (# 71:15 Unique 2.10, 2.69 A)
&rst
ixpk= 71, nxpk= 15, iat= -1, 221, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 225, 226,
&end
#
# 0 AMB 15-3:72 15 GLU HN 4.50 (# 72:15 Single Ambig)
&rst
ixpk= 72, nxpk= 15, iat= -1, 221, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 228, 229, 228, 229,
&end
#
# 14 TYR HB- 15 GLU HN 4.50 (# 73:15 Unique 2.92, 3.24 A)
&rst
ixpk= 73, nxpk= 15, iat= -1, 221, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 204, 205,
&end
#
# 14 TYR HB+ 15 GLU HN 5.50 (# 74:15 Unique 2.92, 3.24 A)
&rst
ixpk= 74, nxpk= 15, iat= -1, 221, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 204, 205,
&end
#
# 12 VAL HA 15 GLU HN 4.50 (# 75:15 Unique 3.63, 3.66 A)
&rst
ixpk= 75, nxpk= 15, iat= 166, 221, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-3:76 15 GLU HN 3.50 (# 76:15 Single Ambig)
&rst
ixpk= 76, nxpk= 15, iat= -1, 221, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 223, 202,
&end
#
# 14 TYR HN 15 GLU HN 4.50 (# 77:15 Unique 2.71, 2.71 A)
&rst
ixpk= 77, nxpk= 15, iat= 200, 221, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 GLN HE2- 16 LEU HN 4.50 (# 78:15 Unique 3.18, 4.78 A)
&rst
ixpk= 78, nxpk= 15, iat= -1, 236, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 322, 323,
&end
#
# 21 GLN HE2+ 16 LEU HN 5.50 (# 79:15 Unique 3.18, 4.78 A)
&rst
ixpk= 79, nxpk= 15, iat= -1, 236, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 322, 323,
&end
#
# 16 LEU HA 16 LEU HN 4.50 (# 80:15 Unique 2.85, 2.86 A)
&rst
ixpk= 80, nxpk= 15, iat= 238, 236, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-3:81 16 LEU HN 4.50 (# 81:15 Single Ambig)
&rst
ixpk= 81, nxpk= 15, iat= -1, 236, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 223, 202,
&end
#
# 0 AMB 15-3:82 16 LEU HN 4.50 (# 82:15 Single Ambig)
&rst
ixpk= 82, nxpk= 15, iat= -1, 236, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 182, 256, 257,
&end
#
# 15 GLU HB+ 16 LEU HN 4.50 (# 83:15 Unique 3.24, 3.65 A)
&rst
ixpk= 83, nxpk= 15, iat= -1, 236, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 225, 226,
&end
#
# 16 LEU HG 16 LEU HN 3.50 (# 84:15 Unique 2.21, 2.25 A)
&rst
ixpk= 84, nxpk= 15, iat= 243, 236, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 16 LEU HB+ 16 LEU HN 3.50 (# 85:15 Unique 2.53, 3.07 A)
&rst
ixpk= 85, nxpk= 15, iat= -1, 236, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 240, 241,
&end
#
# 16 LEU HB- 16 LEU HN 4.50 (# 86:15 Unique 2.53, 3.07 A)
&rst
ixpk= 86, nxpk= 15, iat= -1, 236, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 240, 241,
&end
#
# 16 LEU QD- 16 LEU HN 4.50 (# 87:15 Unique 3.23, 4.24 A)
&rst
ixpk= 87, nxpk= 15, iat= -1, 236, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 245, 246, 247, 249, 250, 251,
&end
#
# 16 LEU QD+ 16 LEU HN 4.50 (# 88:15 Unique 3.23, 4.24 A)
&rst
ixpk= 88, nxpk= 15, iat= -1, 236, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 245, 246, 247, 249, 250, 251,
&end
#
# 17 PRO HB- 18 GLU HN 5.50 (# 89:15 Unique 2.45, 2.92 A)
&rst
ixpk= 89, nxpk= 15, iat= -1, 269, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 262, 263,
&end
#
# 18 GLU HB+ 18 GLU HN 3.50 (# 90:15 Unique 2.34, 2.53 A)
&rst
ixpk= 90, nxpk= 15, iat= -1, 269, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 273, 274,
&end
#
# 18 GLU HG+ 18 GLU HN 4.50 (# 91:15 Unique 4.32, 4.44 A)
&rst
ixpk= 91, nxpk= 15, iat= -1, 269, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 276, 277,
&end
#
# 17 PRO HB+ 18 GLU HN 4.50 (# 92:15 Unique 2.45, 2.92 A)
&rst
ixpk= 92, nxpk= 15, iat= -1, 269, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 262, 263,
&end
#
# 18 GLU HA 18 GLU HN 4.50 (# 93:15 Unique 2.80, 2.82 A)
&rst
ixpk= 93, nxpk= 15, iat= 271, 269, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 17 PRO HA 18 GLU HN 3.50 (# 94:15 Unique 2.39, 2.46 A)
&rst
ixpk= 94, nxpk= 15, iat= 265, 269, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 20 VAL HN 19 ALA HN 4.50 (# 95:15 Unique 2.87, 2.89 A)
&rst
ixpk= 95, nxpk= 15, iat= 294, 284, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 ALA HA 19 ALA HN 3.50 (# 96:15 Unique 2.79, 2.83 A)
&rst
ixpk= 96, nxpk= 15, iat= 286, 284, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 18 GLU HA 19 ALA HN 4.50 (# 97:15 Unique 3.48, 3.50 A)
&rst
ixpk= 97, nxpk= 15, iat= 271, 284, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 17 PRO HB+ 19 ALA HN 5.50 (# 98:15 Unique 2.33, 3.27 A)
&rst
ixpk= 98, nxpk= 15, iat= -1, 284, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 262, 263,
&end
#
# 18 GLU HB- 19 ALA HN 3.50 (# 99:15 Unique 2.53, 3.44 A)
&rst
ixpk= 99, nxpk= 15, iat= -1, 284, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 273, 274,
&end
#
# 17 PRO HB- 19 ALA HN 4.50 (# 100:15 Unique 2.33, 3.27 A)
&rst
ixpk= 100, nxpk= 15, iat= -1, 284, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 262, 263,
&end
#
# 19 ALA QB 19 ALA HN 3.50 (# 101:15 Unique 2.07, 2.88 A)
&rst
ixpk= 101, nxpk= 15, iat= -1, 284, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 288, 289, 290,
&end
#
# 20 VAL QG+ 19 ALA HN 5.50 (# 102:15 Unique 4.76, 6.42 A)
&rst
ixpk= 102, nxpk= 15, iat= -1, 284, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 300, 301, 302, 304, 305, 306,
&end
#
# 20 VAL QG+ 20 VAL HN 3.50 (# 103:15 Unique 2.10, 3.78 A)
&rst
ixpk= 103, nxpk= 15, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 300, 301, 302, 304, 305, 306,
&end
#
# 19 ALA QB 20 VAL HN 3.50 (# 104:15 Unique 2.03, 2.99 A)
&rst
ixpk= 104, nxpk= 15, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 288, 289, 290,
&end
#
# 17 PRO HB- 20 VAL HN 3.50 (# 105:15 Unique 3.28, 4.03 A)
&rst
ixpk= 105, nxpk= 15, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 262, 263,
&end
#
# 20 VAL HB 20 VAL HN 3.50 (# 106:15 Unique 2.44, 2.51 A)
&rst
ixpk= 106, nxpk= 15, iat= 298, 294, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 PRO HB+ 20 VAL HN 4.50 (# 107:15 Unique 3.28, 4.03 A)
&rst
ixpk= 107, nxpk= 15, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 262, 263,
&end
#
# 17 PRO HD- 20 VAL HN 5.50 (# 108:15 Unique 3.76, 4.40 A)
&rst
ixpk= 108, nxpk= 15, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 256, 257,
&end
#
# 20 VAL HA 20 VAL HN 3.50 (# 109:15 Unique 2.75, 2.77 A)
&rst
ixpk= 109, nxpk= 15, iat= 296, 294, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 19 ALA HA 20 VAL HN 4.50 (# 110:15 Unique 3.57, 3.57 A)
&rst
ixpk= 110, nxpk= 15, iat= 286, 294, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-3:111 20 VAL HN 5.50 (# 111:15 Single Ambig)
&rst
ixpk= 111, nxpk= 15, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 265, 238,
&end
#
# 21 GLN HN 20 VAL HN 3.50 (# 112:15 Unique 2.73, 2.75 A)
&rst
ixpk= 112, nxpk= 15, iat= 310, 294, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 19 ALA HN 20 VAL HN 4.50 (# 113:15 Unique 2.87, 2.89 A)
&rst
ixpk= 113, nxpk= 15, iat= 284, 294, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 VAL HN 21 GLN HN 3.50 (# 114:15 Unique 2.73, 2.75 A)
&rst
ixpk= 114, nxpk= 15, iat= 294, 310, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 21 GLN HE2- 21 GLN HN 5.50 (# 115:15 Unique 4.69, 5.61 A)
&rst
ixpk= 115, nxpk= 15, iat= -1, 310, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 322, 323,
&end
#
# 0 AMB 15-3:116 21 GLN HN 4.50 (# 116:15 Single Ambig)
&rst
ixpk= 116, nxpk= 15, iat= -1, 310, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 296, 271,
&end
#
# 21 GLN HA 21 GLN HN 4.50 (# 117:15 Unique 2.80, 2.84 A)
&rst
ixpk= 117, nxpk= 15, iat= 312, 310, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-3:118 21 GLN HN 3.50 (# 118:15 Single Ambig)
&rst
ixpk= 118, nxpk= 15, iat= -1, 310, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 314, 315, 298,
&end
#
# 0 AMB 15-3:119 0 AMB 15-1:119 2.80 (# 119:15 Double Ambig)
&rst
ixpk= 119, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 314, 315, 455, 456, 455, 456, 317, 318,
igr2= 310, 451,
&end
#
# 0 AMB 15-3:120 0 AMB 15-1:120 4.50 (# 120:15 Double Ambig)
&rst
ixpk= 120, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 240, 241, 461, 462, 461, 462, 368, 369,
igr2= 310, 451,
&end
#
# 0 AMB 15-3:121 21 GLN HN 3.50 (# 121:15 Single Ambig)
&rst
ixpk= 121, nxpk= 15, iat= -1, 310, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 317, 318, 300, 301, 302, 304, 305, 306,
&end
#
# 0 AMB 15-3:122 22 LYS HN 4.50 (# 122:15 Single Ambig)
&rst
ixpk= 122, nxpk= 15, iat= -1, 327, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 392, 393, 394, 396, 397, 398, 300, 301, 302, 304,
305, 306,
&end
#
# 22 LYS HD- 22 LYS HN 4.50 (# 123:15 Unique 2.45, 4.10 A)
&rst
ixpk= 123, nxpk= 15, iat= -1, 327, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 337, 338,
&end
#
# 0 AMB 15-3:124 22 LYS HN 3.50 (# 124:15 Single Ambig)
&rst
ixpk= 124, nxpk= 15, iat= -1, 327, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 337, 338, 334, 335,
&end
#
# 0 AMB 15-3:125 22 LYS HN 2.80 (# 125:15 Single Ambig)
&rst
ixpk= 125, nxpk= 15, iat= -1, 327, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 331, 332, 331, 332,
&end
#
# 21 GLN HB- 22 LYS HN 3.50 (# 126:15 Unique 2.63, 3.07 A)
&rst
ixpk= 126, nxpk= 15, iat= -1, 327, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 314, 315,
&end
#
# 21 GLN HA 22 LYS HN 4.50 (# 127:15 Unique 3.52, 3.53 A)
&rst
ixpk= 127, nxpk= 15, iat= 312, 327, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-3:128 22 LYS HN 4.50 (# 128:15 Single Ambig)
&rst
ixpk= 128, nxpk= 15, iat= -1, 327, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 271, 296,
&end
#
# 22 LYS HA 22 LYS HN 3.50 (# 129:15 Unique 2.78, 2.82 A)
&rst
ixpk= 129, nxpk= 15, iat= 329, 327, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 20 VAL HN 22 LYS HN 5.50 (# 130:15 Unique 4.27, 4.32 A)
&rst
ixpk= 130, nxpk= 15, iat= 294, 327, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 GLU HN 22 LYS HN 3.50 (# 131:15 Unique 2.63, 2.69 A)
&rst
ixpk= 131, nxpk= 15, iat= 349, 327, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 24 LEU HN 23 GLU HN 3.50 (# 132:15 Unique 2.66, 2.77 A)
&rst
ixpk= 132, nxpk= 15, iat= 364, 349, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 22 LYS HN 23 GLU HN 3.50 (# 133:15 Unique 2.63, 2.69 A)
&rst
ixpk= 133, nxpk= 15, iat= 327, 349, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 20 VAL HN 23 GLU HN 5.50 (# 134:15 Unique 4.93, 4.95 A)
&rst
ixpk= 134, nxpk= 15, iat= 294, 349, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 GLU HA 23 GLU HN 3.50 (# 135:15 Unique 2.79, 2.82 A)
&rst
ixpk= 135, nxpk= 15, iat= 351, 349, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 22 LYS HA 23 GLU HN 4.50 (# 136:15 Unique 3.53, 3.55 A)
&rst
ixpk= 136, nxpk= 15, iat= 329, 349, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 VAL HA 23 GLU HN 4.50 (# 137:15 Unique 3.56, 3.61 A)
&rst
ixpk= 137, nxpk= 15, iat= 296, 349, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 23 GLU HG- 23 GLU HN 4.50 (# 138:15 Unique 2.31, 3.70 A)
&rst
ixpk= 138, nxpk= 15, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 356, 357,
&end
#
# 0 AMB 15-3:139 23 GLU HN 3.50 (# 139:15 Single Ambig)
&rst
ixpk= 139, nxpk= 15, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 353, 354, 353, 354,
&end
#
# 0 AMB 15-3:140 23 GLU HN 3.50 (# 140:15 Single Ambig)
&rst
ixpk= 140, nxpk= 15, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 331, 332, 331, 332,
&end
#
# 0 AMB 15-3:141 23 GLU HN 4.50 (# 141:15 Single Ambig)
&rst
ixpk= 141, nxpk= 15, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 368, 369, 334, 335, 334, 335, 337, 338,
&end
#
# 0 AMB 15-3:142 23 GLU HN 5.50 (# 142:15 Single Ambig)
&rst
ixpk= 142, nxpk= 15, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 406, 407, 408, 337, 338, 288, 289, 290,
&end
#
# 0 AMB 15-3:143 23 GLU HN 5.50 (# 143:15 Single Ambig)
&rst
ixpk= 143, nxpk= 15, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 300, 301, 302, 304, 305, 306, 392, 393, 394, 396,
397, 398,
&end
#
# 24 LEU QD+ 24 LEU HN 3.50 (# 144:15 Unique 2.01, 3.95 A)
&rst
ixpk= 144, nxpk= 15, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 373, 374, 375, 377, 378, 379,
&end
#
# 24 LEU HB+ 24 LEU HN 2.80 (# 145:15 Unique 2.21, 2.88 A)
&rst
ixpk= 145, nxpk= 15, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 368, 369,
&end
#
# 0 AMB 15-3:146 24 LEU HN 4.50 (# 146:15 Single Ambig)
&rst
ixpk= 146, nxpk= 15, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 390, 331, 332, 331, 332, 314, 315, 317, 318,
&end
#
# 0 AMB 15-3:147 24 LEU HN 3.50 (# 147:15 Single Ambig)
&rst
ixpk= 147, nxpk= 15, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 353, 354, 353, 354,
&end
#
# 21 GLN HA 24 LEU HN 4.50 (# 148:15 Unique 3.67, 3.79 A)
&rst
ixpk= 148, nxpk= 15, iat= 312, 364, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-3:149 24 LEU HN 3.50 (# 149:15 Single Ambig)
&rst
ixpk= 149, nxpk= 15, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 366, 296,
&end
#
# 23 GLU HA 24 LEU HN 4.50 (# 150:15 Unique 3.56, 3.57 A)
&rst
ixpk= 150, nxpk= 15, iat= 351, 364, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-3:151 24 LEU HN 5.50 (# 151:15 Single Ambig)
&rst
ixpk= 151, nxpk= 15, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 192, 190,
&end
#
# 23 GLU HN 24 LEU HN 3.50 (# 152:15 Unique 2.66, 2.77 A)
&rst
ixpk= 152, nxpk= 15, iat= 349, 364, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 21 GLN HN 24 LEU HN 5.50 (# 153:15 Unique 4.75, 4.84 A)
&rst
ixpk= 153, nxpk= 15, iat= 310, 364, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 LYS HN 24 LEU HN 4.50 (# 154:15 Unique 4.28, 4.38 A)
&rst
ixpk= 154, nxpk= 15, iat= 327, 364, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 26 ALA HN 25 LEU HN 3.50 (# 155:15 Unique 2.74, 2.89 A)
&rst
ixpk= 155, nxpk= 15, iat= 402, 383, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 28 TRP HE3 25 LEU HN 5.50 (# 156:15 Unique 4.05, 4.61 A)
&rst
ixpk= 156, nxpk= 15, iat= 446, 383, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 PHE HZ 25 LEU HN 4.50 (# 157:15 Unique 2.49, 2.75 A)
&rst
ixpk= 157, nxpk= 15, iat= 192, 383, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 25 LEU HA 25 LEU HN 3.50 (# 158:15 Unique 2.75, 2.79 A)
&rst
ixpk= 158, nxpk= 15, iat= 385, 383, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 24 LEU HA 25 LEU HN 4.50 (# 159:15 Unique 3.55, 3.56 A)
&rst
ixpk= 159, nxpk= 15, iat= 366, 383, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 GLN HA 25 LEU HN 5.50 (# 160:15 Unique 3.47, 3.61 A)
&rst
ixpk= 160, nxpk= 15, iat= 312, 383, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 LEU HB+ 25 LEU HN 3.50 (# 161:15 Unique 2.40, 2.78 A)
&rst
ixpk= 161, nxpk= 15, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 368, 369,
&end
#
# 25 LEU HG 25 LEU HN 3.50 (# 162:15 Unique 2.30, 2.56 A)
&rst
ixpk= 162, nxpk= 15, iat= 390, 383, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 25 LEU HB- 25 LEU HN 3.50 (# 163:15 Unique 2.23, 2.94 A)
&rst
ixpk= 163, nxpk= 15, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 387, 388,
&end
#
# 0 AMB 15-3:164 25 LEU HN 4.50 (# 164:15 Single Ambig)
&rst
ixpk= 164, nxpk= 15, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 392, 393, 394, 396, 397, 398, 373, 374, 375, 377,
378, 379,
&end
#
# 24 LEU HB- 25 LEU HN 4.50 (# 165:15 Unique 2.40, 2.78 A)
&rst
ixpk= 165, nxpk= 15, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 368, 369,
&end
#
# 26 ALA QB 26 ALA HN 2.80 (# 166:15 Unique 2.20, 2.89 A)
&rst
ixpk= 166, nxpk= 15, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 406, 407, 408,
&end
#
# 25 LEU HB+ 26 ALA HN 3.50 (# 167:15 Unique 2.17, 2.71 A)
&rst
ixpk= 167, nxpk= 15, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 387, 388,
&end
#
# 0 AMB 15-3:168 26 ALA HN 4.50 (# 168:15 Single Ambig)
&rst
ixpk= 168, nxpk= 15, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 416, 417, 416, 417, 353, 354,
&end
#
# 24 LEU HA 26 ALA HN 5.50 (# 169:15 Unique 4.24, 5.00 A)
&rst
ixpk= 169, nxpk= 15, iat= 366, 402, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-3:170 26 ALA HN 4.50 (# 170:15 Single Ambig)
&rst
ixpk= 170, nxpk= 15, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 329, 385,
&end
#
# 26 ALA HA 26 ALA HN 3.50 (# 171:15 Unique 2.75, 2.76 A)
&rst
ixpk= 171, nxpk= 15, iat= 404, 402, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 27 GLU HN 26 ALA HN 3.50 (# 172:15 Unique 2.77, 2.85 A)
&rst
ixpk= 172, nxpk= 15, iat= 412, 402, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 25 LEU HN 26 ALA HN 3.50 (# 173:15 Unique 2.74, 2.89 A)
&rst
ixpk= 173, nxpk= 15, iat= 383, 402, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 28 TRP HN 27 GLU HN 3.50 (# 174:15 Unique 2.51, 2.78 A)
&rst
ixpk= 174, nxpk= 15, iat= 427, 412, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 26 ALA HN 27 GLU HN 3.50 (# 175:15 Unique 2.77, 2.85 A)
&rst
ixpk= 175, nxpk= 15, iat= 402, 412, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 28 TRP HD1 0 AMB 15-1:176 5.50 (# 176:15 Single Ambig)
&rst
ixpk= 176, nxpk= 15, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 451, 412,
&end
#
# 0 AMB 15-3:177 0 AMB 15-1:177 3.50 (# 177:15 Double Ambig)
&rst
ixpk= 177, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 414, 453, 404,
igr2= 412, 451,
&end
#
# 0 AMB 15-3:178 0 AMB 15-1:178 4.50 (# 178:15 Double Ambig)
&rst
ixpk= 178, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 366, 513, 514, 513, 514,
igr2= 412, 451,
&end
#
# 0 AMB 15-3:179 29 LYS HN 4.50 (# 179:15 Single Ambig)
&rst
ixpk= 179, nxpk= 15, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 431, 432, 431, 432,
&end
#
# 0 AMB 15-3:180 27 GLU HN 4.50 (# 180:15 Single Ambig)
&rst
ixpk= 180, nxpk= 15, iat= -1, 412, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 419, 420, 419, 420, 356, 357,
&end
#
# 0 AMB 15-3:181 27 GLU HN 3.50 (# 181:15 Single Ambig)
&rst
ixpk= 181, nxpk= 15, iat= -1, 412, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 416, 417, 416, 417,
&end
#
# 0 AMB 15-3:182 0 AMB 15-1:182 3.50 (# 182:15 Double Ambig)
&rst
ixpk= 182, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 406, 407, 408, 458, 459,
igr2= 412, 451,
&end
#
# 0 AMB 15-3:183 28 TRP HN 5.50 (# 183:15 Single Ambig)
&rst
ixpk= 183, nxpk= 15, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 458, 459, 406, 407, 408,
&end
#
# 0 AMB 15-3:184 28 TRP HN 5.50 (# 184:15 Single Ambig)
&rst
ixpk= 184, nxpk= 15, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 455, 456, 455, 456,
&end
#
# 0 AMB 15-3:185 28 TRP HN 3.50 (# 185:15 Single Ambig)
&rst
ixpk= 185, nxpk= 15, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 416, 417, 416, 417,
&end
#
# 0 AMB 15-3:186 28 TRP HN 5.50 (# 186:15 Single Ambig)
&rst
ixpk= 186, nxpk= 15, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 419, 420, 419, 420,
&end
#
# 0 AMB 15-3:187 28 TRP HN 3.50 (# 187:15 Single Ambig)
&rst
ixpk= 187, nxpk= 15, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 431, 432, 431, 432,
&end
#
# 24 LEU HA 28 TRP HN 5.50 (# 188:15 Unique 3.95, 4.13 A)
&rst
ixpk= 188, nxpk= 15, iat= 366, 427, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 LEU HA 28 TRP HN 4.50 (# 189:15 Unique 3.35, 3.62 A)
&rst
ixpk= 189, nxpk= 15, iat= 385, 427, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-3:190 28 TRP HN 4.50 (# 190:15 Single Ambig)
&rst
ixpk= 190, nxpk= 15, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 414, 404, 453,
&end
#
# 28 TRP HA 28 TRP HN 4.50 (# 191:15 Unique 2.78, 2.84 A)
&rst
ixpk= 191, nxpk= 15, iat= 429, 427, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 TRP HD1 28 TRP HN 4.50 (# 192:15 Unique 3.59, 3.78 A)
&rst
ixpk= 192, nxpk= 15, iat= 435, 427, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 TRP HE3 28 TRP HN 5.50 (# 193:15 Unique 3.85, 4.16 A)
&rst
ixpk= 193, nxpk= 15, iat= 446, 427, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-3:194 28 TRP HN 3.50 (# 194:15 Single Ambig)
&rst
ixpk= 194, nxpk= 15, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 451, 412,
&end
#
# 28 TRP HN 29 LYS HN 3.50 (# 195:15 Unique 2.36, 2.58 A)
&rst
ixpk= 195, nxpk= 15, iat= 427, 451, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 GLU HN 21 GLN HN 5.50 (# 196:15 Unique 4.05, 4.17 A)
&rst
ixpk= 196, nxpk= 15, iat= 349, 310, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 TRP HA 29 LYS HN 4.50 (# 197:15 Unique 3.36, 3.45 A)
&rst
ixpk= 197, nxpk= 15, iat= 429, 451, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-3:198 29 LYS HN 3.50 (# 198:15 Single Ambig)
&rst
ixpk= 198, nxpk= 15, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 453, 404, 414,
&end
#
# 0 AMB 15-3:199 29 LYS HN 3.50 (# 199:15 Single Ambig)
&rst
ixpk= 199, nxpk= 15, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 431, 432, 431, 432,
&end
#
# 29 LYS HG+ 29 LYS HN 4.50 (# 200:15 Unique 2.69, 4.35 A)
&rst
ixpk= 200, nxpk= 15, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 458, 459,
&end
#
# 30 ARG HG+ 30 ARG HN 4.50 (# 201:15 Unique 1.94, 4.16 A)
&rst
ixpk= 201, nxpk= 15, iat= -1, 473, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 480, 481,
&end
#
# 0 AMB 15-3:202 30 ARG HN 3.50 (# 202:15 Single Ambig)
&rst
ixpk= 202, nxpk= 15, iat= -1, 473, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 477, 478, 477, 478, 455, 456, 455, 456,
&end
#
# 0 AMB 15-3:203 30 ARG HN 5.50 (# 203:15 Single Ambig)
&rst
ixpk= 203, nxpk= 15, iat= -1, 473, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 483, 484, 483, 484,
&end
#
# 0 AMB 15-3:204 30 ARG HN 3.50 (# 204:15 Single Ambig)
&rst
ixpk= 204, nxpk= 15, iat= -1, 473, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 414, 453, 404,
&end
#
# 31 THR HN 30 ARG HN 4.50 (# 205:15 Unique 2.19, 2.50 A)
&rst
ixpk= 205, nxpk= 15, iat= 497, 473, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-3:206 31 THR HN 3.50 (# 206:15 Single Ambig)
&rst
ixpk= 206, nxpk= 15, iat= -1, 497, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 501, 475,
&end
#
# 0 AMB 15-3:207 31 THR HN 4.50 (# 207:15 Single Ambig)
&rst
ixpk= 207, nxpk= 15, iat= -1, 497, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 477, 478, 477, 478,
&end
#
# 31 THR QG2 31 THR HN 4.50 (# 208:15 Unique 1.94, 3.63 A)
&rst
ixpk= 208, nxpk= 15, iat= -1, 497, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 503, 504, 505,
&end
#
# 0 AMB 15-3:209 32 GLY HN 5.50 (# 209:15 Single Ambig)
&rst
ixpk= 209, nxpk= 15, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 477, 478, 477, 478, 455, 456, 455, 456,
&end
#
# 31 THR QG2 32 GLY HN 5.50 (# 210:15 Unique 2.21, 4.71 A)
&rst
ixpk= 210, nxpk= 15, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 503, 504, 505,
&end
#
# 0 AMB 15-3:211 28 TRP HE1 4.50 (# 211:15 Single Ambig)
&rst
ixpk= 211, nxpk= 15, iat= -1, 437, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 373, 374, 375, 377, 378, 379, 373, 374, 375, 377,
378, 379,
&end
#
# 0 AMB 15-3:212 28 TRP HE1 5.50 (# 212:15 Single Ambig)
&rst
ixpk= 212, nxpk= 15, iat= -1, 437, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 69, 70, 69, 70,
&end
#
# 0 AMB 15-3:213 28 TRP HE1 5.50 (# 213:15 Single Ambig)
&rst
ixpk= 213, nxpk= 15, iat= -1, 437, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 72, 73, 368, 369,
&end
#
# 0 AMB 15-3:214 28 TRP HE1 5.50 (# 214:15 Single Ambig)
&rst
ixpk= 214, nxpk= 15, iat= -1, 437, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 72, 73, 416, 417, 416, 417,
&end
#
# 0 AMB 15-3:215 28 TRP HE1 5.50 (# 215:15 Single Ambig)
&rst
ixpk= 215, nxpk= 15, iat= -1, 437, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 419, 420, 419, 420,
&end
#
# 0 AMB 15-3:216 28 TRP HE1 7.00 (# 216:15 Single Ambig)
&rst
ixpk= 216, nxpk= 15, iat= -1, 437, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 431, 432, 431, 432,
&end
#
# 24 LEU HA 28 TRP HE1 5.50 (# 217:15 Unique 5.50, 5.51 A)
&rst
ixpk= 217, nxpk= 15, iat= 366, 437, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 5 PRO HA 28 TRP HE1 7.00 (# 218:15 Unique 5.90, 6.41 A)
&rst
ixpk= 218, nxpk= 15, iat= 75, 437, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 28 TRP HD1 28 TRP HE1 3.50 (# 219:15 Unique 2.57, 2.57 A)
&rst
ixpk= 219, nxpk= 15, iat= 435, 437, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 28 TRP HZ2 28 TRP HE1 3.50 (# 220:15 Unique 2.82, 2.82 A)
&rst
ixpk= 220, nxpk= 15, iat= 440, 437, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 11 GLN HA 11 GLN HE2- 5.50 (# 221:15 Unique 4.13, 5.15 A)
&rst
ixpk= 221, nxpk= 15, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 159, 160,
&end
#
# 11 GLN HG+ 11 GLN HE2- 4.50 (# 222:15 Unique 2.34, 3.38 A)
&rst
ixpk= 222, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 154, 155,
igr2= 159, 160,
&end
#
# 10 PRO HB- 11 GLN HE2- 7.00 (# 223:15 Unique 5.59, 7.85 A)
&rst
ixpk= 223, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 140, 141,
igr2= 159, 160,
&end
#
# 0 AMB 15-3:224 0 AMB 15-1:224 5.50 (# 224:15 Double Ambig)
&rst
ixpk= 224, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 154, 155, 154, 155,
igr2= 159, 160, 159, 160,
&end
#
# 0 AMB 15-3:226 21 GLN HE2- 5.50 (# 226:15 Single Ambig)
&rst
ixpk= 226, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 265, 238,
igr2= 322, 323,
&end
#
# 14 TYR HA 21 GLN HE2- 4.50 (# 227:15 Unique 2.34, 3.31 A)
&rst
ixpk= 227, nxpk= 15, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 322, 323,
&end
#
# 18 GLU HA 21 GLN HE2- 4.50 (# 228:15 Unique 3.12, 4.60 A)
&rst
ixpk= 228, nxpk= 15, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 322, 323,
&end
#
# 21 GLN HA 21 GLN HE2- 5.50 (# 229:15 Unique 4.50, 5.37 A)
&rst
ixpk= 229, nxpk= 15, iat= 312, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 322, 323,
&end
#
# 0 AMB 15-3:230 21 GLN HE2- 5.50 (# 230:15 Single Ambig)
&rst
ixpk= 230, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 184, 185, 184, 185,
igr2= 322, 323,
&end
#
# 0 AMB 15-3:231 21 GLN HE2- 3.50 (# 231:15 Single Ambig)
&rst
ixpk= 231, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 317, 318, 314, 315,
igr2= 322, 323,
&end
#
# 16 LEU HB+ 21 GLN HE2- 4.50 (# 232:15 Unique 2.97, 5.09 A)
&rst
ixpk= 232, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 240, 241,
igr2= 322, 323,
&end
#
# 0 AMB 15-3:233 21 GLN HE2- 4.50 (# 233:15 Single Ambig)
&rst
ixpk= 233, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 317, 318, 240, 241,
igr2= 322, 323,
&end
#
# 0 AMB 15-3:236 0 AMB 15-1:236 4.50 (# 236:15 Double Ambig)
&rst
ixpk= 236, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 317, 318, 240, 241,
igr2= 322, 323, 322, 323,
&end
#
# 16 LEU HB+ 21 GLN HE2+ 5.50 (# 237:15 Unique 2.97, 5.09 A)
&rst
ixpk= 237, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 240, 241,
igr2= 322, 323,
&end
#
# 0 AMB 15-3:238 0 AMB 15-1:238 4.50 (# 238:15 Double Ambig)
&rst
ixpk= 238, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 317, 318, 314, 315,
igr2= 322, 323, 322, 323,
&end
#
# 21 GLN HB- 21 GLN HE2+ 4.50 (# 239:15 Unique 2.62, 3.98 A)
&rst
ixpk= 239, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 314, 315,
igr2= 322, 323,
&end
#
# 0 AMB 15-3:240 0 AMB 15-1:240 5.50 (# 240:15 Double Ambig)
&rst
ixpk= 240, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 204, 205, 256, 257,
igr2= 322, 323, 322, 323,
&end
#
# 18 GLU HA 21 GLN HE2+ 5.50 (# 241:15 Unique 3.12, 4.60 A)
&rst
ixpk= 241, nxpk= 15, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 322, 323,
&end
#
# 14 TYR HA 21 GLN HE2+ 4.50 (# 242:15 Unique 2.34, 3.31 A)
&rst
ixpk= 242, nxpk= 15, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 322, 323,
&end
#
# 22 LYS HN 21 GLN HE2+ 5.50 (# 243:15 Unique 5.18, 6.71 A)
&rst
ixpk= 243, nxpk= 15, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 322, 323,
&end
#
# 18 GLU HB- 18 GLU HN 4.50 (# 244:15 Unique 2.34, 2.53 A)
&rst
ixpk= 244, nxpk= 15, iat= -1, 269, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 273, 274,
&end
#
# 0 AMB 15-3:245 27 GLU HN 4.50 (# 245:15 Single Ambig)
&rst
ixpk= 245, nxpk= 15, iat= -1, 412, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 387, 388, 455, 456, 455, 456, 331, 332,
&end
#
# 0 AMB 15-3:246 11 GLN HN 4.50 (# 246:15 Single Ambig)
&rst
ixpk= 246, nxpk= 15, iat= -1, 147, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 134, 135, 143,
&end
#
# 25 LEU QD- 25 LEU HN 4.50 (# 247:15 Unique 3.17, 4.49 A)
&rst
ixpk= 247, nxpk= 15, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 392, 393, 394, 396, 397, 398,
&end
#
# 0 AMB 15-3:248 25 LEU HN 5.50 (# 248:15 Single Ambig)
&rst
ixpk= 248, nxpk= 15, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 314, 315, 416, 417, 416, 417, 353, 354,
&end
#
# 9 ASP HB- 11 GLN HN 5.50 (# 249:15 Unique 2.74, 3.58 A)
&rst
ixpk= 249, nxpk= 15, iat= -1, 147, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 125, 126,
&end
#
# 0 AMB 15-3:250 7 ASP HN 5.50 (# 250:15 Single Ambig)
&rst
ixpk= 250, nxpk= 15, iat= -1, 90, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 69, 70, 69, 70,
&end
#
# 8 ILE HG1- 7 ASP HN 7.00 (# 251:15 Unique 3.30, 3.42 A)
&rst
ixpk= 251, nxpk= 15, iat= -1, 90, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 112, 113,
&end
#
# 0 AMB 15-3:252 7 ASP HN 5.50 (# 252:15 Single Ambig)
&rst
ixpk= 252, nxpk= 15, iat= -1, 90, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 108, 109, 110, 115, 116, 117,
&end
#
# 30 ARG HA 30 ARG HN 4.50 (# 253:15 Unique 2.80, 2.86 A)
&rst
ixpk= 253, nxpk= 15, iat= 475, 473, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 12 VAL QG- 13 PHE HN 4.50 (# 254:15 Unique 3.19, 4.19 A)
&rst
ixpk= 254, nxpk= 15, iat= -1, 180, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 170, 171, 172, 174, 175, 176,
&end
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