NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
492539 |
2ki0   |
cing | 1-original | 6 | AMBER | distance | NOE | ambi |
#
# 34 TRP HH2 34 TRP HE1 5.20 (# 0:9 Unique)
&rst
ixpk= 0, nxpk= 9, iat= 551, 546, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 34 TRP HD1 34 TRP HE1 2.80 (# 1:9 Unique )
&rst
ixpk= 1, nxpk= 9, iat= 544, 546, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 9 TRP HD1 9 TRP HE1 2.80 (# 2:9 Unique 2.64, 2.64 A)
&rst
ixpk= 2, nxpk= 9, iat= 127, 129, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 9 TRP HZ2 9 TRP HE1 4.20 (# 3:9 Unique 2.85, 2.85 A)
&rst
ixpk= 3, nxpk= 9, iat= 132, 129, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 7 THR HA 8 ILE HN 2.20 (# 4:9 Unique 2.15, 2.21 A)
&rst
ixpk= 4, nxpk= 9, iat= 88, 100, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 8 ILE HA 8 ILE HN 5.20 (# 5:9 Unique 2.91, 2.93 A)
&rst
ixpk= 5, nxpk= 9, iat= 102, 100, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 30 ARG HA 30 ARG HN 4.20 (# 6:9 Unique 2.89, 2.91 A)
&rst
ixpk= 6, nxpk= 9, iat= 464, 462, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 29 ILE HA 30 ARG HN 2.80 (# 7:9 Unique 2.29, 2.34 A)
&rst
ixpk= 7, nxpk= 9, iat= 445, 462, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 30 ARG HB- 30 ARG HN 4.50 (# 8:9 Unique 2.26, 3.24 A)
&rst
ixpk= 8, nxpk= 9, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 466, 467,
&end
#
# 30 ARG HB+ 30 ARG HN 3.50 (# 9:9 Unique 2.26, 3.24 A)
&rst
ixpk= 9, nxpk= 9, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 466, 467,
&end
#
# 8 ILE QG2 8 ILE HN 5.20 (# 10:9 Unique 2.22, 3.45 A)
&rst
ixpk= 10, nxpk= 9, iat= -1, 100, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 106, 107, 108,
&end
#
# 8 ILE HB 8 ILE HN 4.50 (# 11:9 Unique 3.76, 3.85 A)
&rst
ixpk= 11, nxpk= 9, iat= 104, 100, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 7 THR MG2 8 ILE HN 3.50 (# 12:9 Unique)
&rst
ixpk= 12, nxpk= 9, iat= -1, 100, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 92, 93, 94,
&end
#
# 8 ILE QD1 8 ILE HN 4.50 (# 13:9 Unique)
&rst
ixpk= 13, nxpk= 9, iat= -1, 100, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 113, 114, 115,
&end
#
# 10 VAL HN 8 ILE HN 5.60 (# 14:9 Unique)
&rst
ixpk= 14, nxpk= 9, iat= 143, 100, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 34 TRP HZ3 34 TRP HN 5.20 (# 15:9 Unique 4.95, 5.09 A)
&rst
ixpk= 15, nxpk= 9, iat= 553, 536, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 0 AMB 9-2:16 0 AMB 9-1:16 5.20 (# 16:9 Double Ambig)
&rst
ixpk= 16, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 138, 524, 532,
igr2= 159, 536,
&end
#
# 34 TRP HE3 34 TRP HN 5.20 (# 17:9 Unique 2.66, 2.81 A)
&rst
ixpk= 17, nxpk= 9, iat= 555, 536, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 9 TRP HZ3 0 AMB 9-1:18 5.20 (# 18:9 Single Ambig)
&rst
ixpk= 18, nxpk= 9, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 536, 159,
&end
#
# 11 GLY HA+ 11 GLY HN 5.20 (# 19:9 Unique 2.25, 2.55 A)
&rst
ixpk= 19, nxpk= 9, iat= -1, 159, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 161, 162,
&end
#
# 33 PHE HA 34 TRP HN 2.20 (# 20:9 Unique 2.19, 2.20 A)
&rst
ixpk= 20, nxpk= 9, iat= 518, 536, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 10 VAL HA 11 GLY HN 2.20 (# 21:9 Unique 2.18, 2.22 A)
&rst
ixpk= 21, nxpk= 9, iat= 145, 159, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 34 TRP HA 34 TRP HN 5.20 (# 22:9 Unique 2.92, 2.92 A)
&rst
ixpk= 22, nxpk= 9, iat= 538, 536, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 11 GLY HA- 11 GLY HN 4.20 (# 23:9 Unique 2.25, 2.55 A)
&rst
ixpk= 23, nxpk= 9, iat= -1, 159, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 161, 162,
&end
#
# 34 TRP HB+ 34 TRP HN 4.50 (# 24:9 Unique 2.23, 2.86 A)
&rst
ixpk= 24, nxpk= 9, iat= -1, 536, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 540, 541,
&end
#
# 0 AMB 9-2:25 34 TRP HN 4.20 (# 25:9 Single Ambig)
&rst
ixpk= 25, nxpk= 9, iat= -1, 536, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 520, 521, 520, 521,
&end
#
# 34 TRP HB- 34 TRP HN 5.20 (# 26:9 Unique 2.23, 2.86 A)
&rst
ixpk= 26, nxpk= 9, iat= -1, 536, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 540, 541,
&end
#
# 32 THR MG2 34 TRP HN 6.00 (# 27:9 Unique 4.26, 5.60 A)
&rst
ixpk= 27, nxpk= 9, iat= -1, 536, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 508, 509, 510,
&end
#
# 0 AMB 9-2:28 0 AMB 9-1:28 5.20 (# 28:9 Double Ambig)
&rst
ixpk= 28, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
igr1= 179, 180, 181, 113, 114, 115,
igr2= 159, 536,
&end
#
# 10 VAL MGX 34 TRP HN 5.20 (# 29:9 Unique 2.61, 4.84 A)
&rst
ixpk= 29, nxpk= 9, iat= -1, 536, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 149, 150, 151, 153, 154, 155,
&end
#
# 10 VAL MGY 34 TRP HN 4.50 (# 30:9 Unique 2.61, 4.84 A)
&rst
ixpk= 30, nxpk= 9, iat= -1, 536, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 149, 150, 151, 153, 154, 155,
&end
#
# 22 GLU HN 21 LYS HN 5.20 (# 31:9 Unique 2.58, 2.73 A)
&rst
ixpk= 31, nxpk= 9, iat= 335, 313, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 33 PHE HD 0 AMB 9-1:32 2.20 (# 32:9 Single Ambig)
&rst
ixpk= 32, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr1= 524, 532,
igr2= 520, 521, 520, 521,
&end
#
# 0 AMB 9-2:33 22 GLU HN 4.20 (# 33:9 Single Ambig)
&rst
ixpk= 33, nxpk= 9, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 365, 294,
&end
#
# 21 LYS HN 22 GLU HN 4.50 (# 34:9 Unique 2.58, 2.73 A)
&rst
ixpk= 34, nxpk= 9, iat= 313, 335, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 15 GLU HN 13 THR HN 5.20 (# 35:9 Unique 4.71, 4.96 A)
&rst
ixpk= 35, nxpk= 9, iat= 201, 173, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 18 LYS HN 16 GLU HN 4.50 (# 36:9 Unique 3.96, 4.16 A)
&rst
ixpk= 36, nxpk= 9, iat= 250, 216, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 33 PHE HD 0 AMB 9-1:37 3.50 (# 37:9 Single Ambig)
&rst
ixpk= 37, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 524, 532,
igr2= 516, 143,
&end
#
# 11 GLY HA+ 12 GLY HN 2.80 (# 38:9 Unique 2.42, 3.15 A)
&rst
ixpk= 38, nxpk= 9, iat= -1, 166, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 161, 162,
&end
#
# 7 THR HA 6 ARG HN 5.20 (# 39:9 Unique 4.61, 4.64 A)
&rst
ixpk= 39, nxpk= 9, iat= 88, 62, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 22 GLU HN 0 AMB 9-1:40 4.20 (# 40:9 Single Ambig)
&rst
ixpk= 40, nxpk= 9, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 365, 294,
&end
#
# 36 ASP HN 35 GLY HN 4.20 (# 41:9 Unique 2.47, 2.78 A)
&rst
ixpk= 41, nxpk= 9, iat= 567, 560, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 28 ASN HN 29 ILE HN 3.50 (# 42:9 Unique 1.87, 2.20 A)
&rst
ixpk= 42, nxpk= 9, iat= 429, 443, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 19 LYS HN 20 LEU HN 4.20 (# 43:9 Unique 2.16, 2.21 A)
&rst
ixpk= 43, nxpk= 9, iat= 272, 294, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 13 THR HN 15 GLU HN 5.20 (# 44:9 Unique 4.71, 4.96 A)
&rst
ixpk= 44, nxpk= 9, iat= 173, 201, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 35 GLY HN 36 ASP HN 4.20 (# 45:9 Unique 2.47, 2.78 A)
&rst
ixpk= 45, nxpk= 9, iat= 560, 567, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 29 ILE HN 28 ASN HN 3.50 (# 46:9 Unique 1.87, 2.20 A)
&rst
ixpk= 46, nxpk= 9, iat= 443, 429, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 20 LEU HN 19 LYS HN 4.20 (# 47:9 Unique 2.16, 2.21 A)
&rst
ixpk= 47, nxpk= 9, iat= 294, 272, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 26 LYS HN 27 ALA HN 2.80 (# 48:9 Unique 2.74, 2.85 A)
&rst
ixpk= 48, nxpk= 9, iat= 397, 419, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 27 ALA HN 26 LYS HN 3.50 (# 49:9 Unique 2.74, 2.85 A)
&rst
ixpk= 49, nxpk= 9, iat= 419, 397, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 LEU HN 21 LYS HN 5.60 (# 50:9 Unique 4.35, 5.05 A)
&rst
ixpk= 50, nxpk= 9, iat= 231, 313, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 23 GLU HN 24 ALA HN 3.50 (# 51:9 Unique)
&rst
ixpk= 51, nxpk= 9, iat= 350, 365, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 25 LYS HN 24 ALA HN 3.50 (# 52:9 Unique 2.66, 2.96 A)
&rst
ixpk= 52, nxpk= 9, iat= 375, 365, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 25 LYS HN 26 LYS HN 3.50 (# 53:9 Unique 2.34, 2.43 A)
&rst
ixpk= 53, nxpk= 9, iat= 375, 397, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 GLU HN 26 LYS HN 4.50 (# 54:9 Unique)
&rst
ixpk= 54, nxpk= 9, iat= 350, 397, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 9 TRP HE3 9 TRP HN 5.60 (# 55:9 Unique)
&rst
ixpk= 55, nxpk= 9, iat= 138, 119, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 18 LYS HN 19 LYS HN 3.50 (# 56:9 Unique 2.77, 3.01 A)
&rst
ixpk= 56, nxpk= 9, iat= 250, 272, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 LEU HN 15 GLU HN 4.20 (# 57:9 Unique 3.50, 3.79 A)
&rst
ixpk= 57, nxpk= 9, iat= 231, 201, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 21 LYS HN 17 LEU HN 5.60 (# 58:9 Unique 4.35, 5.05 A)
&rst
ixpk= 58, nxpk= 9, iat= 313, 231, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 15 GLU HN 17 LEU HN 4.20 (# 59:9 Unique 3.50, 3.79 A)
&rst
ixpk= 59, nxpk= 9, iat= 201, 231, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 19 LYS HN 18 LYS HN 3.50 (# 60:9 Unique 2.77, 3.01 A)
&rst
ixpk= 60, nxpk= 9, iat= 272, 250, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 16 GLU HN 18 LYS HN 4.50 (# 61:9 Unique 3.96, 4.16 A)
&rst
ixpk= 61, nxpk= 9, iat= 216, 250, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 24 ALA HN 23 GLU HN 3.50 (# 62:9 Unique)
&rst
ixpk= 62, nxpk= 9, iat= 365, 350, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 26 LYS HN 23 GLU HN 4.50 (# 63:9 Unique)
&rst
ixpk= 63, nxpk= 9, iat= 397, 350, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 26 LYS HN 25 LYS HN 3.50 (# 64:9 Unique 2.34, 2.43 A)
&rst
ixpk= 64, nxpk= 9, iat= 397, 375, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 24 ALA HN 25 LYS HN 3.50 (# 65:9 Unique 2.66, 2.96 A)
&rst
ixpk= 65, nxpk= 9, iat= 365, 375, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 9 TRP HN 9 TRP HE3 5.60 (# 66:9 Unique)
&rst
ixpk= 66, nxpk= 9, iat= 119, 138, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 0 AMB 9-2:67 33 PHE HD 3.50 (# 67:9 Single Ambig)
&rst
ixpk= 67, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 516, 143,
igr2= 524, 532,
&end
#
# 34 TRP HN 34 TRP HZ3 5.20 (# 68:9 Unique 4.95, 5.09 A)
&rst
ixpk= 68, nxpk= 9, iat= 536, 553, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 0 AMB 9-2:69 0 AMB 9-1:69 5.20 (# 69:9 Double Ambig)
&rst
ixpk= 69, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 159, 536,
igr2= 138, 524, 532,
&end
#
# 34 TRP HN 34 TRP HE3 5.20 (# 70:9 Unique 2.66, 2.81 A)
&rst
ixpk= 70, nxpk= 9, iat= 536, 555, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 0 AMB 9-2:71 9 TRP HZ3 5.20 (# 71:9 Single Ambig)
&rst
ixpk= 71, nxpk= 9, iat= -1, 136, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 536, 159,
&end
#
# 9 TRP HE1 9 TRP HZ2 4.20 (# 72:9 Unique 2.85, 2.85 A)
&rst
ixpk= 72, nxpk= 9, iat= 129, 132, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 34 TRP HE1 34 TRP HH2 5.20 (# 73:9 Unique)
&rst
ixpk= 73, nxpk= 9, iat= 546, 551, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 34 TRP HE1 34 TRP HD1 2.80 (# 74:9 Unique)
&rst
ixpk= 74, nxpk= 9, iat= 546, 544, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 9 TRP HE1 9 TRP HD1 2.80 (# 75:9 Unique 2.64, 2.64 A)
&rst
ixpk= 75, nxpk= 9, iat= 129, 127, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 35 GLY HN 34 TRP HD1 5.60 (# 76:9 Unique 3.56, 3.81 A)
&rst
ixpk= 76, nxpk= 9, iat= 560, 544, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 9 TRP HN 9 TRP HD1 5.20 (# 77:9 Unique 3.85, 4.08 A)
&rst
ixpk= 77, nxpk= 9, iat= 119, 127, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 4 GLN HE2+ 4 GLN HE2- 2.20 (# 78:9 Unique)
#This appears to be self-referential: ignoring
#
# 28 ASN HD2- 28 ASN HD2+ 2.20 (# 79:9 Unique )
#This appears to be self-referential: ignoring
#
# 34 TRP HH2 9 TRP HD1 5.20 (# 80:9 Unique 3.07, 3.48 A)
&rst
ixpk= 80, nxpk= 9, iat= 551, 127, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 34 TRP HE3 9 TRP HD1 5.60 (# 81:9 Unique 3.87, 4.26 A)
&rst
ixpk= 81, nxpk= 9, iat= 555, 127, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 9 TRP HD1 34 TRP HE3 5.60 (# 82:9 Unique 3.87, 4.26 A)
&rst
ixpk= 82, nxpk= 9, iat= 127, 555, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 9 TRP HD1 34 TRP HH2 5.20 (# 83:9 Unique 3.07, 3.48 A)
&rst
ixpk= 83, nxpk= 9, iat= 127, 551, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 28 ASN HD2+ 28 ASN HD2- 2.20 (# 84:9 Unique )
#This appears to be self-referential: ignoring
#
# 4 GLN HE2- 4 GLN HE2+ 2.20 (# 85:9 Unique)
#This appears to be self-referential: ignoring
#
# 34 TRP HZ3 34 TRP HZ2 4.50 (# 86:9 Unique)
&rst
ixpk= 86, nxpk= 9, iat= 553, 549, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 9-2:87 0 AMB 9-1:87 2.80 (# 87:9 Double Ambig)
&rst
ixpk= 87, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 136, 549,
igr2= 138, 551,
&end
#
# 34 TRP HE3 34 TRP HZ3 4.50 (# 88:9 Unique 2.49, 2.49 A)
&rst
ixpk= 88, nxpk= 9, iat= 555, 553, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 33 PHE HE 33 PHE HD 2.80 (# 89:9 Unique)
&rst
ixpk= 89, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 526, 530,
igr2= 524, 532,
&end
#
# 9 TRP HH2 9 TRP HZ2 3.50 (# 90:9 Unique 2.52, 2.52 A)
&rst
ixpk= 90, nxpk= 9, iat= 134, 132, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 33 PHE HZ 33 PHE HE 2.80 (# 91:9 Unique 2.45, 2.45 A)
&rst
ixpk= 91, nxpk= 9, iat= 528, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 526, 530,
&end
#
# 33 PHE HE 33 PHE HZ 2.80 (# 92:9 Unique 2.45, 2.45 A)
&rst
ixpk= 92, nxpk= 9, iat= -1, 528, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 526, 530,
&end
#
# 9 TRP HZ2 34 TRP HZ2 4.50 (# 93:9 Unique)
&rst
ixpk= 93, nxpk= 9, iat= 132, 549, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 34 TRP HZ2 34 TRP HZ3 4.50 (# 94:9 Unique )
&rst
ixpk= 94, nxpk= 9, iat= 549, 553, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 9-2:95 0 AMB 9-1:95 2.80 (# 95:9 Double Ambig)
&rst
ixpk= 95, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 138, 551,
igr2= 136, 549,
&end
#
# 9 TRP HZ2 9 TRP HH2 2.80 (# 96:9 Unique 2.52, 2.52 A)
&rst
ixpk= 96, nxpk= 9, iat= 132, 134, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 33 PHE HD 33 PHE HE 2.80 (# 97:9 Unique)
&rst
ixpk= 97, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 524, 532,
igr2= 526, 530,
&end
#
# 9 TRP HA 10 VAL HN 2.80 (# 98:9 Unique 2.26, 2.27 A)
&rst
ixpk= 98, nxpk= 9, iat= 121, 143, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 31 VAL HA 32 THR HN 2.20 (# 99:9 Unique 2.18, 2.18 A)
&rst
ixpk= 99, nxpk= 9, iat= 488, 502, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 6 ARG HA 6 ARG HN 5.20 (# 102:9 Unique 2.88, 2.89 A)
&rst
ixpk= 102, nxpk= 9, iat= 64, 62, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 34 TRP HA 35 GLY HN 3.50 (# 103:9 Unique 2.22, 2.27 A)
&rst
ixpk= 103, nxpk= 9, iat= 538, 560, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 7 THR HA 7 THR HN 5.20 (# 104:9 Unique 2.91, 2.93 A)
&rst
ixpk= 104, nxpk= 9, iat= 88, 86, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 9 TRP HA 9 TRP HN 5.20 (# 105:9 Unique 2.93, 2.94 A)
&rst
ixpk= 105, nxpk= 9, iat= 121, 119, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 31 VAL HA 31 VAL HN 4.50 (# 106:9 Unique 2.92, 2.93 A)
&rst
ixpk= 106, nxpk= 9, iat= 488, 486, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 9 TRP HA 9 TRP HE3 5.20 (# 107:9 Unique)
&rst
ixpk= 107, nxpk= 9, iat= 121, 138, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 9 TRP HE3 10 VAL HA 5.20 (# 108:9 Unique)
&rst
ixpk= 108, nxpk= 9, iat= 138, 145, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 9 TRP HA 9 TRP HD1 5.20 (# 109:9 Unique 3.33, 3.48 A)
&rst
ixpk= 109, nxpk= 9, iat= 121, 127, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 30 ARG HA 31 VAL HN 2.20 (# 110:9 Unique 2.23, 2.23 A)
&rst
ixpk= 110, nxpk= 9, iat= 464, 486, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 25 LYS HA 25 LYS HN 3.50 (# 111:9 Unique 2.80, 2.85 A)
&rst
ixpk= 111, nxpk= 9, iat= 377, 375, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 36 ASP HA 36 ASP HN 4.50 (# 112:9 Unique 2.17, 2.17 A)
&rst
ixpk= 112, nxpk= 9, iat= 569, 567, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 27 ALA HA 27 ALA HN 4.50 (# 113:9 Unique 2.85, 2.91 A)
&rst
ixpk= 113, nxpk= 9, iat= 421, 419, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 ASN HA 28 ASN HN 3.50 (# 114:9 Unique 2.20, 2.65 A)
&rst
ixpk= 114, nxpk= 9, iat= 431, 429, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 9-2:115 0 AMB 9-1:115 2.80 (# 115:9 Double Ambig)
&rst
ixpk= 115, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 31, 562, 563,
igr2= 46, 567,
&end
#
# 4 GLN HA 4 GLN HN 4.50 (# 116:9 Unique 2.64, 2.87 A)
&rst
ixpk= 116, nxpk= 9, iat= 31, 29, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 25 LYS HA 26 LYS HN 5.20 (# 117:9 Unique 3.46, 3.50 A)
&rst
ixpk= 117, nxpk= 9, iat= 377, 397, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 28 ASN HA 29 ILE HN 4.20 (# 118:9 Unique 3.55, 3.60 A)
&rst
ixpk= 118, nxpk= 9, iat= 431, 443, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 32 THR HA 33 PHE HN 2.20 (# 120:9 Unique 2.15, 2.16 A)
&rst
ixpk= 120, nxpk= 9, iat= 504, 516, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 13 THR HA 16 GLU HN 4.50 (# 121:9 Unique 3.50, 3.82 A)
&rst
ixpk= 121, nxpk= 9, iat= 175, 216, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 13 THR HA 13 THR HN 5.20 (# 122:9 Unique 2.26, 2.72 A)
&rst
ixpk= 122, nxpk= 9, iat= 175, 173, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 22 GLU HA 24 ALA HN 4.50 (# 123:9 Unique 3.71, 3.81 A)
&rst
ixpk= 123, nxpk= 9, iat= 337, 365, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 GLU HA 26 LYS HN 5.20 (# 124:9 Unique 3.27, 3.66 A)
&rst
ixpk= 124, nxpk= 9, iat= 337, 397, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 23 GLU HA 27 ALA HN 3.50 (# 126:9 Unique 1.93, 3.28 A)
&rst
ixpk= 126, nxpk= 9, iat= 352, 419, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 11 GLY HA+ 9 TRP HZ3 5.60 (# 127:9 Unique 3.84, 4.96 A)
&rst
ixpk= 127, nxpk= 9, iat= -1, 136, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 161, 162,
&end
#
# 29 ILE QG2 28 ASN HN 5.60 (# 128:9 Unique 4.03, 5.19 A)
&rst
ixpk= 128, nxpk= 9, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 449, 450, 451,
&end
#
# 0 AMB 9-2:130 23 GLU HN 5.20 (# 130:9 Single Ambig)
&rst
ixpk= 130, nxpk= 9, iat= -1, 350, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 274, 296,
&end
#
# 0 AMB 9-2:131 0 AMB 9-1:131 2.80 (# 131:9 Double Ambig)
&rst
ixpk= 131, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 352, 252,
igr2= 350, 250,
&end
#
# 23 GLU HA 25 LYS HN 5.60 (# 132:9 Unique )
&rst
ixpk= 132, nxpk= 9, iat= 352, 375, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 32 THR HB 34 TRP HH2 5.20 (# 133:9 Unique 2.70, 2.99 A)
&rst
ixpk= 133, nxpk= 9, iat= 506, 551, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 32 THR HB 34 TRP HZ2 5.20 (# 134:9 Unique 4.48, 4.82 A)
&rst
ixpk= 134, nxpk= 9, iat= 506, 549, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 11 GLY HA- 9 TRP HZ3 5.20 (# 135:9 Unique 3.84, 4.96 A)
&rst
ixpk= 135, nxpk= 9, iat= -1, 136, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 161, 162,
&end
#
# 17 LEU HA 33 PHE HZ 4.50 (# 136:9 Unique 3.46, 4.23 A)
&rst
ixpk= 136, nxpk= 9, iat= 233, 528, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 17 LEU HA 33 PHE HE 4.20 (# 137:9 Unique 3.33, 4.77 A)
&rst
ixpk= 137, nxpk= 9, iat= 233, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 526, 530,
&end
#
# 17 LEU HA 17 LEU HN 4.20 (# 138:9 Unique 2.66, 2.69 A)
&rst
ixpk= 138, nxpk= 9, iat= 233, 231, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 19 LYS HA 19 LYS HN 3.50 (# 139:9 Unique 2.90, 2.91 A)
&rst
ixpk= 139, nxpk= 9, iat= 274, 272, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 15 GLU HA 15 GLU HN 2.80 (# 140:9 Unique 2.78, 2.83 A)
&rst
ixpk= 140, nxpk= 9, iat= 203, 201, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 9-2:141 0 AMB 9-1:141 3.50 (# 141:9 Double Ambig)
&rst
ixpk= 141, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 48, 562, 563,
igr2= 46, 567,
&end
#
# 7 THR HB 7 THR HN 4.50 (# 142:9 Unique 2.13, 2.24 A)
&rst
ixpk= 142, nxpk= 9, iat= 90, 86, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 LEU HA 21 LYS HN 5.20 (# 144:9 Unique 3.61, 3.63 A)
&rst
ixpk= 144, nxpk= 9, iat= 296, 313, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 26 LYS HA 26 LYS HN 3.50 (# 145:9 Unique)
&rst
ixpk= 145, nxpk= 9, iat= 399, 397, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 9-2:146 0 AMB 9-1:146 4.20 (# 146:9 Double Ambig)
&rst
ixpk= 146, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 315, 367,
igr2= 313, 397,
&end
#
# 24 ALA HA 24 ALA HN 4.20 (# 147:9 Unique 2.75, 2.80 A)
&rst
ixpk= 147, nxpk= 9, iat= 367, 365, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 29 ILE HA 29 ILE HN 4.50 (# 148:9 Unique 2.64, 2.66 A)
&rst
ixpk= 148, nxpk= 9, iat= 445, 443, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 24 ALA HA 29 ILE HN 4.50 (# 149:9 Unique 3.89, 4.30 A)
&rst
ixpk= 149, nxpk= 9, iat= 367, 443, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 9-2:150 0 AMB 9-1:150 4.20 (# 150:9 Double Ambig)
&rst
ixpk= 150, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 337, 177,
igr2= 335, 173,
&end
#
# 0 AMB 9-2:151 16 GLU HN 3.50 (# 151:9 Single Ambig)
&rst
ixpk= 151, nxpk= 9, iat= -1, 216, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 218, 203,
&end
#
# 0 AMB 9-2:152 0 AMB 9-1:152 4.20 (# 152:9 Double Ambig)
&rst
ixpk= 152, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 168, 169, 168, 169,
igr2= 173, 166,
&end
#
# 12 GLY HA- 0 AMB 9-1:153 5.20 (# 153:9 Single Ambig)
&rst
ixpk= 153, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 168, 169,
igr2= 173, 166,
&end
#
# 5 VAL HA 6 ARG HN 2.20 (# 154:9 Unique 2.20, 2.23 A)
&rst
ixpk= 154, nxpk= 9, iat= 48, 62, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 32 THR HB 32 THR HN 4.20 (# 155:9 Unique 2.39, 2.49 A)
&rst
ixpk= 155, nxpk= 9, iat= 506, 502, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 11 GLY HA- 12 GLY HN 4.20 (# 156:9 Unique 2.42, 3.15 A)
&rst
ixpk= 156, nxpk= 9, iat= -1, 166, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 161, 162,
&end
#
# 35 GLY HA- 35 GLY HN 3.50 (# 157:9 Unique 2.25, 2.59 A)
&rst
ixpk= 157, nxpk= 9, iat= -1, 560, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 562, 563,
&end
#
# 20 LEU HA 20 LEU HN 4.20 (# 158:9 Unique 2.66, 2.70 A)
&rst
ixpk= 158, nxpk= 9, iat= 296, 294, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 17 LEU HA 20 LEU HN 5.20 (# 159:9 Unique 3.03, 3.36 A)
&rst
ixpk= 159, nxpk= 9, iat= 233, 294, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 0 AMB 9-2:160 0 AMB 9-1:160 4.20 (# 160:9 Double Ambig)
&rst
ixpk= 160, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 407, 408, 407, 408, 449, 450, 451,
igr2= 397, 29,
&end
#
# 34 TRP HB+ 35 GLY HN 5.20 (# 161:9 Unique 3.13, 3.82 A)
&rst
ixpk= 161, nxpk= 9, iat= -1, 560, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 540, 541,
&end
#
# 28 ASN HB+ 28 ASN HN 5.60 (# 162:9 Unique 2.85, 3.44 A)
&rst
ixpk= 162, nxpk= 9, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 433, 434,
&end
#
# 28 ASN HB+ 28 ASN HD2+ 5.60 (# 163:9 Unique 2.10, 3.18 A)
&rst
ixpk= 163, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 433, 434,
igr2= 438, 439,
&end
#
# 0 AMB 9-2:164 6 ARG HE 4.50 (# 164:9 Single Ambig)
&rst
ixpk= 164, nxpk= 9, iat= -1, 75, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 72, 73, 72, 73,
&end
#
# 34 TRP HB+ 34 TRP HZ3 5.20 (# 165:9 Unique 4.84, 5.58 A)
&rst
ixpk= 165, nxpk= 9, iat= -1, 553, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 540, 541,
&end
#
# 0 AMB 9-2:166 30 ARG HE 5.20 (# 166:9 Single Ambig)
&rst
ixpk= 166, nxpk= 9, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 472, 473, 472, 473,
&end
#
# 0 AMB 9-2:167 0 AMB 9-1:167 5.20 (# 167:9 Double Ambig)
&rst
ixpk= 167, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
igr1= 540, 541, 540, 541,
igr2= 555, 544,
&end
#
# 0 AMB 9-2:168 0 AMB 9-1:168 5.20 (# 168:9 Double Ambig)
&rst
ixpk= 168, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
igr1= 520, 521, 520, 521, 520, 521,
igr2= 526, 530, 555,
&end
#
# 0 AMB 9-2:169 33 PHE HD 2.20 (# 169:9 Single Ambig)
&rst
ixpk= 169, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr1= 520, 521, 520, 521,
igr2= 524, 532,
&end
#
# 34 TRP HB- 0 AMB 9-1:170 4.50 (# 170:9 Single Ambig)
&rst
ixpk= 170, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 540, 541,
igr2= 555, 544,
&end
#
# 28 ASN HB+ 28 ASN HD2- 5.60 (# 171:9 Unique 2.10, 3.18 A)
&rst
ixpk= 171, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 433, 434,
igr2= 438, 439,
&end
#
# 34 TRP HZ3 34 TRP HB- 6.00 (# 172:9 Unique)
&rst
ixpk= 172, nxpk= 9, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 540, 541,
&end
#
# 28 ASN HB- 28 ASN HD2+ 5.20 (# 173:9 Unique 2.10, 3.18 A)
&rst
ixpk= 173, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 433, 434,
igr2= 438, 439,
&end
#
# 23 GLU HG+ 23 GLU HN 5.20 (# 174:9 Unique 1.94, 3.30 A)
&rst
ixpk= 174, nxpk= 9, iat= -1, 350, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 357, 358,
&end
#
# 28 ASN HB- 28 ASN HN 4.50 (# 175:9 Unique 2.85, 3.44 A)
&rst
ixpk= 175, nxpk= 9, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 433, 434,
&end
#
# 34 TRP HB- 36 ASP HN 4.20 (# 176:9 Unique 2.24, 3.08 A)
&rst
ixpk= 176, nxpk= 9, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 540, 541,
&end
#
# 34 TRP HB- 35 GLY HN 4.50 (# 177:9 Unique 3.13, 3.82 A)
&rst
ixpk= 177, nxpk= 9, iat= -1, 560, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 540, 541,
&end
#
# 0 AMB 9-2:178 33 PHE HN 3.50 (# 178:9 Single Ambig)
&rst
ixpk= 178, nxpk= 9, iat= -1, 516, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 520, 521, 520, 521,
&end
#
# 16 GLU HG- 16 GLU HN 4.20 (# 179:9 Unique)
&rst
ixpk= 179, nxpk= 9, iat= -1, 216, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 223, 224,
&end
#
# 22 GLU HG- 22 GLU HN 4.20 (# 180:9 Unique)
&rst
ixpk= 180, nxpk= 9, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 342, 343,
&end
#
# 4 GLN HG+ 4 GLN HN 5.20 (# 181:9 Unique 1.98, 4.03 A)
&rst
ixpk= 181, nxpk= 9, iat= -1, 29, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 36, 37,
&end
#
# 15 GLU HG+ 15 GLU HN 5.20 (# 182:9 Unique 1.93, 3.55 A)
&rst
ixpk= 182, nxpk= 9, iat= -1, 201, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 208, 209,
&end
#
# 15 GLU HG- 15 GLU HN 5.20 (# 183:9 Unique 1.93, 3.55 A)
&rst
ixpk= 183, nxpk= 9, iat= -1, 201, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 208, 209,
&end
#
# 0 AMB 9-2:184 23 GLU HN 4.20 (# 184:9 Single Ambig)
&rst
ixpk= 184, nxpk= 9, iat= -1, 350, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 357, 358, 342, 343,
&end
#
# 15 GLU HB- 17 LEU HN 5.20 (# 185:9 Unique)
&rst
ixpk= 185, nxpk= 9, iat= -1, 231, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 205, 206,
&end
#
# 0 AMB 9-2:186 9 TRP HE3 3.50 (# 186:9 Single Ambig)
&rst
ixpk= 186, nxpk= 9, iat= -1, 138, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 123, 124, 123, 124,
&end
#
# 0 AMB 9-2:187 34 TRP HE3 5.60 (# 187:9 Single Ambig)
&rst
ixpk= 187, nxpk= 9, iat= -1, 555, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 123, 124, 123, 124,
&end
#
# 0 AMB 9-2:188 33 PHE HZ 5.20 (# 188:9 Single Ambig)
&rst
ixpk= 188, nxpk= 9, iat= -1, 528, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 317, 318, 317, 318,
&end
#
# 0 AMB 9-2:189 9 TRP HD1 4.20 (# 189:9 Single Ambig)
&rst
ixpk= 189, nxpk= 9, iat= -1, 127, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 123, 124, 123, 124,
&end
#
# 0 AMB 9-2:190 34 TRP HZ3 5.20 (# 190:9 Single Ambig)
&rst
ixpk= 190, nxpk= 9, iat= -1, 553, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 123, 124, 123, 124,
&end
#
# 16 GLU HG+ 18 LYS HN 5.20 (# 191:9 Unique 4.36, 4.87 A)
&rst
ixpk= 191, nxpk= 9, iat= -1, 250, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 223, 224,
&end
#
# 0 AMB 9-2:192 10 VAL HN 4.50 (# 192:9 Single Ambig)
&rst
ixpk= 192, nxpk= 9, iat= -1, 143, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 123, 124, 123, 124,
&end
#
# 0 AMB 9-2:193 22 GLU HN 4.50 (# 193:9 Single Ambig)
&rst
ixpk= 193, nxpk= 9, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 317, 318, 317, 318,
&end
#
# 16 GLU HG+ 16 GLU HN 4.20 (# 194:9 Unique 1.89, 2.97 A)
&rst
ixpk= 194, nxpk= 9, iat= -1, 216, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 223, 224,
&end
#
# 22 GLU HB+ 22 GLU HN 2.80 (# 195:9 Unique 2.08, 2.53 A)
&rst
ixpk= 195, nxpk= 9, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 339, 340,
&end
#
# 0 AMB 9-2:196 16 GLU HN 3.50 (# 196:9 Single Ambig)
&rst
ixpk= 196, nxpk= 9, iat= -1, 216, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 220, 221, 220, 221,
&end
#
# 5 VAL HB 6 ARG HN 4.20 (# 197:9 Unique)
&rst
ixpk= 197, nxpk= 9, iat= 50, 62, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 0 AMB 9-2:198 6 ARG HN 4.50 (# 198:9 Single Ambig)
&rst
ixpk= 198, nxpk= 9, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 66, 67, 66, 67,
&end
#
# 31 VAL HB 32 THR HN 3.50 (# 199:9 Unique 3.43, 3.52 A)
&rst
ixpk= 199, nxpk= 9, iat= 490, 502, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 10 VAL HB 10 VAL HN 5.20 (# 200:9 Unique 3.58, 3.64 A)
&rst
ixpk= 200, nxpk= 9, iat= 147, 143, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 0 AMB 9-2:201 22 GLU HN 5.60 (# 201:9 Double Ambig)
&rst
ixpk= 201, nxpk= 9, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 320, 321, 320, 321,
&end
#
# 8 ILE QG2 32 THR HN 3.50 (# 202:9 Unique 3.66, 4.59 A)
&rst
ixpk= 202, nxpk= 9, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 106, 107, 108,
&end
#
# 32 THR MG2 33 PHE HN 4.20 (# 203:9 Unique 2.58, 3.74 A)
&rst
ixpk= 203, nxpk= 9, iat= -1, 516, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 508, 509, 510,
&end
#
# 31 VAL MGX 32 THR HN 4.50 (# 204:9 Unique 4.11, 5.05 A)
&rst
ixpk= 204, nxpk= 9, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 492, 493, 494, 496, 497, 498,
&end
#
# 10 VAL MGX 10 VAL HN 4.50 (# 205:9 Unique 1.82, 3.25 A)
&rst
ixpk= 205, nxpk= 9, iat= -1, 143, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 149, 150, 151, 153, 154, 155,
&end
#
# 10 VAL MGY 10 VAL HN 5.20 (# 206:9 Unique 1.82, 3.25 A)
&rst
ixpk= 206, nxpk= 9, iat= -1, 143, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 149, 150, 151, 153, 154, 155,
&end
#
# 10 VAL MGY 32 THR HN 5.20 (# 207:9 Unique 4.56, 6.21 A)
&rst
ixpk= 207, nxpk= 9, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 149, 150, 151, 153, 154, 155,
&end
#
# 20 LEU MDX 22 GLU HN 6.00 (# 208:9 Unique 5.26, 6.54 A)
&rst
ixpk= 208, nxpk= 9, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 303, 304, 305, 307, 308, 309,
&end
#
# 0 AMB 9-2:209 6 ARG HN 4.20 (# 209:9 Double Ambig)
&rst
ixpk= 209, nxpk= 9, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 453, 454, 453, 454,
&end
#
# 29 ILE HB 6 ARG HN 2.80 (# 210:9 Unique)
&rst
ixpk= 210, nxpk= 9, iat= 447, 62, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 9-2:211 29 ILE HN 5.20 (# 211:9 Single Ambig)
&rst
ixpk= 211, nxpk= 9, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 453, 454, 453, 454,
&end
#
# 5 VAL MGY 29 ILE HN 5.20 (# 212:9 Unique 4.17, 6.55 A)
&rst
ixpk= 212, nxpk= 9, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 52, 53, 54, 56, 57, 58,
&end
#
# 29 ILE QD1 29 ILE HN 5.20 (# 213:9 Unique 4.28, 4.49 A)
&rst
ixpk= 213, nxpk= 9, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 456, 457, 458,
&end
#
# 0 AMB 9-2:214 0 AMB 9-1:214 4.20 (# 214:9 Double Ambig)
&rst
ixpk= 214, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 301, 323, 324, 323, 324,
igr2= 294, 365,
&end
#
# 27 ALA MB 29 ILE HN 5.20 (# 215:9 Unique 2.65, 3.72 A)
&rst
ixpk= 215, nxpk= 9, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 423, 424, 425,
&end
#
# 29 ILE QG2 29 ILE HN 2.20 (# 216:9 Unique 2.27, 3.19 A)
&rst
ixpk= 216, nxpk= 9, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr1= 449, 450, 451,
&end
#
# 24 ALA MB 24 ALA HN 2.80 (# 217:9 Unique)
&rst
ixpk= 217, nxpk= 9, iat= -1, 365, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 369, 370, 371,
&end
#
# 0 AMB 9-2:218 20 LEU HN 2.80 (# 218:9 Single Ambig)
&rst
ixpk= 218, nxpk= 9, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 279, 280, 298, 299,
&end
#
# 20 LEU MDY 20 LEU HN 4.50 (# 219:9 Unique 2.05, 4.50 A)
&rst
ixpk= 219, nxpk= 9, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 303, 304, 305, 307, 308, 309,
&end
#
# 20 LEU MDX 20 LEU HN 5.20 (# 220:9 Unique 2.05, 4.50 A)
&rst
ixpk= 220, nxpk= 9, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 303, 304, 305, 307, 308, 309,
&end
#
# 20 LEU MDX 21 LYS HN 5.60 (# 221:9 Unique 3.67, 5.24 A)
&rst
ixpk= 221, nxpk= 9, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1= 303, 304, 305, 307, 308, 309,
&end
#
# 10 VAL MGX 8 ILE QD1 4.50 (# 222:9 Unique)
&rst
ixpk= 222, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 149, 150, 151, 153, 154, 155,
igr2= 113, 114, 115,
&end
#
# 0 AMB 9-2:223 0 AMB 9-1:223 5.60 (# 223:9 Double Ambig)
&rst
ixpk= 223, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.23, r4= 9.73,
igr1= 303, 304, 305, 307, 308, 309, 453, 454, 453, 454,
igr2= 313, 397,
&end
#
# 29 ILE QD1 26 LYS HN 5.20 (# 224:9 Unique 5.60, 6.50 A)
&rst
ixpk= 224, nxpk= 9, iat= -1, 397, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 456, 457, 458,
&end
#
# 0 AMB 9-2:225 21 LYS HN 4.20 (# 225:9 Single Ambig)
&rst
ixpk= 225, nxpk= 9, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 323, 324, 323, 324, 301,
&end
#
# 0 AMB 9-2:226 0 AMB 9-1:226 2.80 (# 226:9 Double Ambig)
&rst
ixpk= 226, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 382, 383, 298, 299, 320, 321,
igr2= 397, 313,
&end
#
# 0 AMB 9-2:227 26 LYS HN 2.80 (# 227:9 Single Ambig)
&rst
ixpk= 227, nxpk= 9, iat= -1, 397, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 401, 402, 401, 402,
&end
#
# 0 AMB 9-2:228 0 AMB 9-1:228 2.80 (# 228:9 Double Ambig)
&rst
ixpk= 228, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 33, 34, 33, 34, 379, 380, 379, 380,
igr2= 29, 397,
&end
#
# 4 GLN HG- 4 GLN HN 5.20 (# 229:9 Unique 1.98, 4.03 A)
&rst
ixpk= 229, nxpk= 9, iat= -1, 29, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 36, 37,
&end
#
# 0 AMB 9-2:230 21 LYS HN 3.50 (# 230:9 Single Ambig)
&rst
ixpk= 230, nxpk= 9, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 317, 318, 317, 318,
&end
#
# 5 VAL HB 5 VAL HN 3.50 (# 231:9 Unique 2.27, 2.84 A)
&rst
ixpk= 231, nxpk= 9, iat= 50, 46, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 9-2:232 9 TRP HN 4.20 (# 232:9 Single Ambig)
&rst
ixpk= 232, nxpk= 9, iat= -1, 119, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 110, 111, 110, 111,
&end
#
# 0 AMB 9-2:233 0 AMB 9-1:233 3.50 (# 233:9 Double Ambig)
&rst
ixpk= 233, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 205, 206, 123, 124, 123, 124,
igr2= 201, 119,
&end
#
# 15 GLU HB+ 15 GLU HN 4.50 (# 234:9 Unique 2.07, 2.80 A)
&rst
ixpk= 234, nxpk= 9, iat= -1, 201, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 205, 206,
&end
#
# 0 AMB 9-2:235 7 THR HN 5.20 (# 235:9 Single Ambig)
&rst
ixpk= 235, nxpk= 9, iat= -1, 86, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 66, 67, 66, 67,
&end
#
# 31 VAL HB 33 PHE HD 5.60 (# 236:9 Unique 3.56, 5.06 A)
&rst
ixpk= 236, nxpk= 9, iat= 490, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 524, 532,
&end
#
# 14 PRO HB+ 15 GLU HN 4.20 (# 237:9 Unique)
&rst
ixpk= 237, nxpk= 9, iat= -1, 201, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 194, 195,
&end
#
# 27 ALA MB 27 ALA HN 2.80 (# 238:9 Unique 2.03, 2.96 A)
&rst
ixpk= 238, nxpk= 9, iat= -1, 419, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 423, 424, 425,
&end
#
# 17 LEU HG 17 LEU HN 2.80 (# 239:9 Unique 1.92, 2.64 A)
&rst
ixpk= 239, nxpk= 9, iat= 238, 231, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 18 LYS HG- 18 LYS HN 4.20 (# 240:9 Unique 2.00, 3.83 A)
&rst
ixpk= 240, nxpk= 9, iat= -1, 250, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 257, 258,
&end
#
# 6 ARG HG- 6 ARG HE 4.50 (# 241:9 Unique 2.07, 2.97 A)
&rst
ixpk= 241, nxpk= 9, iat= -1, 75, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 69, 70,
&end
#
# 24 ALA MB 25 LYS HN 3.50 (# 242:9 Unique 1.90, 2.99 A)
&rst
ixpk= 242, nxpk= 9, iat= -1, 375, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 369, 370, 371,
&end
#
# 0 AMB 9-2:243 18 LYS HN 4.50 (# 243:9 Single Ambig)
&rst
ixpk= 243, nxpk= 9, iat= -1, 250, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 260, 261, 260, 261,
&end
#
# 0 AMB 9-2:244 23 GLU HN 4.20 (# 244:9 Single Ambig)
&rst
ixpk= 244, nxpk= 9, iat= -1, 350, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 276, 277, 276, 277,
&end
#
# 0 AMB 9-2:245 23 GLU HN 2.80 (# 245:9 Double Ambig)
&rst
ixpk= 245, nxpk= 9, iat= -1, 350, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 339, 340, 354, 355,
&end
#
# 0 AMB 9-2:246 25 LYS HN 2.80 (# 246:9 Single Ambig)
&rst
ixpk= 246, nxpk= 9, iat= -1, 375, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 379, 380, 379, 380,
&end
#
# 0 AMB 9-2:247 25 LYS HN 5.20 (# 247:9 Single Ambig)
&rst
ixpk= 247, nxpk= 9, iat= -1, 375, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 385, 386, 385, 386,
&end
#
# 24 ALA MB 33 PHE HE 4.20 (# 248:9 Unique 4.89, 5.90 A)
&rst
ixpk= 248, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 369, 370, 371,
igr2= 526, 530,
&end
#
# 31 VAL HB 33 PHE HE 4.20 (# 249:9 Unique 1.98, 3.90 A)
&rst
ixpk= 249, nxpk= 9, iat= 490, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 526, 530,
&end
#
# 24 ALA MB 33 PHE HZ 4.20 (# 250:9 Unique 3.75, 4.52 A)
&rst
ixpk= 250, nxpk= 9, iat= -1, 528, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 369, 370, 371,
&end
#
# 31 VAL HB 33 PHE HZ 4.20 (# 251:9 Unique 3.22, 3.68 A)
&rst
ixpk= 251, nxpk= 9, iat= 490, 528, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 5 VAL MGY 5 VAL HN 4.20 (# 253:9 Unique 1.95, 4.00 A)
&rst
ixpk= 253, nxpk= 9, iat= -1, 46, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 52, 53, 54, 56, 57, 58,
&end
#
# 5 VAL MGX 5 VAL HN 4.50 (# 254:9 Unique 1.95, 4.00 A)
&rst
ixpk= 254, nxpk= 9, iat= -1, 46, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 52, 53, 54, 56, 57, 58,
&end
#
# 8 ILE QD1 9 TRP HN 4.20 (# 255:9 Unique)
&rst
ixpk= 255, nxpk= 9, iat= -1, 119, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 113, 114, 115,
&end
#
# 0 AMB 9-2:256 27 ALA HN 5.60 (# 256:9 Double Ambig)
&rst
ixpk= 256, nxpk= 9, iat= -1, 419, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 453, 454, 453, 454,
&end
#
# 17 LEU HB- 17 LEU HN 3.50 (# 257:9 Unique 2.15, 2.89 A)
&rst
ixpk= 257, nxpk= 9, iat= -1, 231, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 235, 236,
&end
#
# 20 LEU HG 17 LEU HN 5.60 (# 258:9 Unique 3.91, 4.60 A)
&rst
ixpk= 258, nxpk= 9, iat= 301, 231, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 29 ILE QD1 23 GLU HN 5.60 (# 259:9 Unique 4.37, 5.86 A)
&rst
ixpk= 259, nxpk= 9, iat= -1, 350, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 456, 457, 458,
&end
#
# 17 LEU HB+ 17 LEU HN 5.20 (# 260:9 Unique 2.15, 2.89 A)
&rst
ixpk= 260, nxpk= 9, iat= -1, 231, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 235, 236,
&end
#
# 17 LEU HB+ 33 PHE HD 5.60 (# 261:9 Unique 4.86, 6.60 A)
&rst
ixpk= 261, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 235, 236,
igr2= 524, 532,
&end
#
# 17 LEU HB+ 33 PHE HE 5.60 (# 262:9 Unique 4.21, 6.07 A)
&rst
ixpk= 262, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 235, 236,
igr2= 526, 530,
&end
#
# 31 VAL MGY 31 VAL HN 2.80 (# 263:9 Unique 1.86, 3.18 A)
&rst
ixpk= 263, nxpk= 9, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 492, 493, 494, 496, 497, 498,
&end
#
# 31 VAL MGX 31 VAL HN 4.50 (# 264:9 Unique 1.86, 3.18 A)
&rst
ixpk= 264, nxpk= 9, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 492, 493, 494, 496, 497, 498,
&end
#
# 29 ILE QD1 31 VAL HN 5.20 (# 265:9 Unique 3.90, 5.29 A)
&rst
ixpk= 265, nxpk= 9, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 456, 457, 458,
&end
#
# 25 LYS HG+ 25 LYS HN 5.20 (# 266:9 Unique 1.93, 3.02 A)
&rst
ixpk= 266, nxpk= 9, iat= -1, 375, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 382, 383,
&end
#
# 0 AMB 9-2:267 0 AMB 9-1:267 5.20 (# 267:9 Double Ambig)
&rst
ixpk= 267, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
igr1= 456, 457, 458, 508, 509, 510,
igr2= 75, 553,
&end
#
# 0 AMB 9-2:268 0 AMB 9-1:268 5.20 (# 268:9 Double Ambig)
&rst
ixpk= 268, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
igr1= 447, 113, 114, 115,
igr2= 75, 553,
&end
#
# 8 ILE QD1 33 PHE HD 2.80 (# 269:9 Unique 2.31, 5.66 A)
&rst
ixpk= 269, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 113, 114, 115,
igr2= 524, 532,
&end
#
# 32 THR MG2 34 TRP HH2 3.50 (# 270:9 Unique)
&rst
ixpk= 270, nxpk= 9, iat= -1, 551, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 508, 509, 510,
&end
#
# 0 AMB 9-2:271 33 PHE HD 4.50 (# 271:9 Single Ambig)
&rst
ixpk= 271, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 301, 323, 324, 323, 324,
igr2= 524, 532,
&end
#
# 0 AMB 9-2:272 33 PHE HE 2.80 (# 272:9 Single Ambig)
&rst
ixpk= 272, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 323, 324, 323, 324,
igr2= 526, 530,
&end
#
# 32 THR MG2 34 TRP HE3 4.20 (# 273:9 Unique 3.02, 4.36 A)
&rst
ixpk= 273, nxpk= 9, iat= -1, 555, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 508, 509, 510,
&end
#
# 8 ILE QD1 33 PHE HE 4.50 (# 274:9 Unique)
&rst
ixpk= 274, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 113, 114, 115,
igr2= 526, 530,
&end
#
# 0 AMB 9-2:275 33 PHE HZ 2.80 (# 275:9 Single Ambig)
&rst
ixpk= 275, nxpk= 9, iat= -1, 528, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 323, 324, 323, 324,
&end
#
# 32 THR MG2 34 TRP HZ2 4.20 (# 276:9 Unique 2.94, 4.00 A)
&rst
ixpk= 276, nxpk= 9, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 508, 509, 510,
&end
#
# 7 THR MG2 9 TRP HD1 4.50 (# 277:9 Unique 2.64, 3.31 A)
&rst
ixpk= 277, nxpk= 9, iat= -1, 127, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 92, 93, 94,
&end
#
# 31 VAL MGY 33 PHE HZ 4.50 (# 278:9 Unique 1.96, 4.00 A)
&rst
ixpk= 278, nxpk= 9, iat= -1, 528, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 492, 493, 494, 496, 497, 498,
&end
#
# 10 VAL MGX 0 AMB 9-1:279 5.20 (# 279:9 Single Ambig)
&rst
ixpk= 279, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
igr1= 149, 150, 151, 153, 154, 155,
igr2= 526, 530, 555,
&end
#
# 31 VAL MGY 33 PHE HE 3.50 (# 280:9 Unique 1.95, 4.91 A)
&rst
ixpk= 280, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 492, 493, 494, 496, 497, 498,
igr2= 526, 530,
&end
#
# 10 VAL MGX 33 PHE HD 4.50 (# 281:9 Unique 1.96, 5.55 A)
&rst
ixpk= 281, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 149, 150, 151, 153, 154, 155,
igr2= 524, 532,
&end
#
# 31 VAL MGY 33 PHE HD 5.20 (# 282:9 Unique 4.13, 6.58 A)
&rst
ixpk= 282, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
igr1= 492, 493, 494, 496, 497, 498,
igr2= 524, 532,
&end
#
# 10 VAL MGY 0 AMB 9-1:283 4.20 (# 283:9 Single Ambig)
&rst
ixpk= 283, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 149, 150, 151, 153, 154, 155,
igr2= 526, 530, 555,
&end
#
# 10 VAL MGY 33 PHE HD 4.20 (# 284:9 Unique 1.96, 5.55 A)
&rst
ixpk= 284, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 149, 150, 151, 153, 154, 155,
igr2= 524, 532,
&end
#
# 33 PHE HZ 10 VAL MGY 5.20 (# 285:9 Unique)
&rst
ixpk= 285, nxpk= 9, iat= 528, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr2= 149, 150, 151, 153, 154, 155,
&end
#
# 12 GLY HN 11 GLY HA+ 3.50 (# 286:9 Unique 2.42, 3.15 A)
&rst
ixpk= 286, nxpk= 9, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 161, 162,
&end
#
# 8 ILE HN 7 THR HA 2.20 (# 287:9 Unique 2.15, 2.21 A)
&rst
ixpk= 287, nxpk= 9, iat= 100, 88, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 30 ARG HN 29 ILE HA 2.80 (# 288:9 Unique 2.29, 2.34 A)
&rst
ixpk= 288, nxpk= 9, iat= 462, 445, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 10 VAL HN 9 TRP HA 2.80 (# 289:9 Unique 2.26, 2.27 A)
&rst
ixpk= 289, nxpk= 9, iat= 143, 121, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 30 ARG HN 30 ARG HB- 4.50 (# 290:9 Unique 2.26, 3.24 A)
&rst
ixpk= 290, nxpk= 9, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 466, 467,
&end
#
# 30 ARG HN 30 ARG HB+ 3.50 (# 291:9 Unique 3.65, 4.43 A)
&rst
ixpk= 291, nxpk= 9, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 466, 467,
&end
#
# 8 ILE HN 8 ILE QG2 5.20 (# 292:9 Unique 2.22, 3.45 A)
&rst
ixpk= 292, nxpk= 9, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 106, 107, 108,
&end
#
# 8 ILE HN 7 THR MG2 3.50 (# 293:9 Unique)
&rst
ixpk= 293, nxpk= 9, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 92, 93, 94,
&end
#
# 8 ILE HN 8 ILE QD1 4.50 (# 294:9 Unique)
&rst
ixpk= 294, nxpk= 9, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 113, 114, 115,
&end
#
# 34 TRP HN 10 VAL MGY 4.50 (# 295:9 Unique 2.61, 4.84 A)
&rst
ixpk= 295, nxpk= 9, iat= 536, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 149, 150, 151, 153, 154, 155,
&end
#
# 34 TRP HN 10 VAL MGX 5.20 (# 296:9 Unique 2.61, 4.84 A)
&rst
ixpk= 296, nxpk= 9, iat= 536, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr2= 149, 150, 151, 153, 154, 155,
&end
#
# 10 VAL HN 10 VAL MGX 4.50 (# 297:9 Unique 1.82, 3.25 A)
&rst
ixpk= 297, nxpk= 9, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 149, 150, 151, 153, 154, 155,
&end
#
# 32 THR HN 31 VAL MGY 5.20 (# 298:9 Unique 4.11, 5.05 A)
&rst
ixpk= 298, nxpk= 9, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr2= 492, 493, 494, 496, 497, 498,
&end
#
# 10 VAL HN 10 VAL MGY 5.20 (# 299:9 Unique 1.82, 3.25 A)
&rst
ixpk= 299, nxpk= 9, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr2= 149, 150, 151, 153, 154, 155,
&end
#
# 32 THR HN 31 VAL MGX 4.50 (# 300:9 Unique 4.11, 5.05 A)
&rst
ixpk= 300, nxpk= 9, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 492, 493, 494, 496, 497, 498,
&end
#
# 22 GLU HN 20 LEU MDX 6.00 (# 301:9 Unique 5.26, 6.54 A)
&rst
ixpk= 301, nxpk= 9, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 303, 304, 305, 307, 308, 309,
&end
#
# 20 LEU HN 20 LEU MDX 5.20 (# 302:9 Unique 2.05, 4.50 A)
&rst
ixpk= 302, nxpk= 9, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr2= 303, 304, 305, 307, 308, 309,
&end
#
# 6 ARG HN 0 AMB 9-1:303 4.20 (# 303:9 Double Ambig)
&rst
ixpk= 303, nxpk= 9, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2= 453, 454, 453, 454,
&end
#
# 6 ARG HN 29 ILE HB 2.80 (# 304:9 Unique)
&rst
ixpk= 304, nxpk= 9, iat= 62, 447, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 33 PHE HN 32 THR MG2 3.50 (# 305:9 Unique)
&rst
ixpk= 305, nxpk= 9, iat= 516, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 508, 509, 510,
&end
#
# 32 THR HN 8 ILE QG2 3.50 (# 306:9 Unique 3.66, 4.59 A)
&rst
ixpk= 306, nxpk= 9, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 106, 107, 108,
&end
#
# 10 VAL HN 10 VAL HB 5.20 (# 307:9 Unique 3.58, 3.64 A)
&rst
ixpk= 307, nxpk= 9, iat= 143, 147, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 32 THR HN 31 VAL HB 3.50 (# 308:9 Unique 3.43, 3.52 A)
&rst
ixpk= 308, nxpk= 9, iat= 502, 490, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 16 GLU HN 0 AMB 9-1:309 2.80 (# 309:9 Single Ambig)
&rst
ixpk= 309, nxpk= 9, iat= 216, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 220, 221, 220, 221,
&end
#
# 10 VAL HN 0 AMB 9-1:310 4.20 (# 310:9 Single Ambig)
&rst
ixpk= 310, nxpk= 9, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2= 123, 124, 123, 124,
&end
#
# 16 GLU HN 16 GLU HG- 4.20 (# 311:9 Unique)
&rst
ixpk= 311, nxpk= 9, iat= 216, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 223, 224,
&end
#
# 34 TRP HN 34 TRP HB- 5.20 (# 312:9 Unique 2.23, 2.86 A)
&rst
ixpk= 312, nxpk= 9, iat= 536, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 540, 541,
&end
#
# 34 TRP HN 0 AMB 9-1:313 4.20 (# 313:9 Single Ambig)
&rst
ixpk= 313, nxpk= 9, iat= 536, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2= 520, 521, 520, 521,
&end
#
# 33 PHE HN 0 AMB 9-1:314 3.50 (# 314:9 Single Ambig)
&rst
ixpk= 314, nxpk= 9, iat= 516, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 520, 521, 520, 521,
&end
#
# 12 GLY HN 11 GLY HA- 4.20 (# 315:9 Unique 2.42, 3.15 A)
&rst
ixpk= 315, nxpk= 9, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 161, 162,
&end
#
# 32 THR HN 32 THR HB 4.20 (# 316:9 Unique 2.39, 2.49 A)
&rst
ixpk= 316, nxpk= 9, iat= 502, 506, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 6 ARG HN 5 VAL HA 2.20 (# 317:9 Unique 2.20, 2.23 A)
&rst
ixpk= 317, nxpk= 9, iat= 62, 48, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 11 GLY HA- 11 GLY HA+ 2.80 (# 318:9 Unique)
#This appears to be self-referential: ignoring
#
# 11 GLY HA+ 11 GLY HA- 2.80 (# 319:9 Unique)
#This appears to be self-referential: ignoring
#
# 17 LEU HN 17 LEU HB- 4.50 (# 320:9 Unique 2.15, 2.89 A)
&rst
ixpk= 320, nxpk= 9, iat= 231, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 235, 236,
&end
#
# 7 THR HA 7 THR HB 5.20 (# 322:9 Unique 2.98, 3.04 A)
&rst
ixpk= 322, nxpk= 9, iat= 88, 90, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 0 AMB 9-2:323 0 AMB 9-1:323 5.20 (# 323:9 Double Ambig)
&rst
ixpk= 323, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
igr1= 294, 365,
igr2= 223, 224, 357, 358,
&end
#
# 35 GLY HA- 35 GLY HA+ 2.20 (# 324:9 Unique)
#This appears to be self-referential: ignoring
#
# 28 ASN HA 29 ILE HA 5.20 (# 325:9 Unique)
&rst
ixpk= 325, nxpk= 9, iat= 431, 445, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 29 ILE HA 28 ASN HA 5.20 (# 326:9 Unqiue)
&rst
ixpk= 326, nxpk= 9, iat= 445, 431, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 28 ASN HA 28 ASN HB+ 3.50 (# 327:9 Unique 2.42, 2.82 A)
&rst
ixpk= 327, nxpk= 9, iat= 431, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 433, 434,
&end
#
# 28 ASN HA 28 ASN HB- 4.20 (# 328:9 Unique 2.42, 2.82 A)
&rst
ixpk= 328, nxpk= 9, iat= 431, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 433, 434,
&end
#
# 36 ASP HA 34 TRP HB- 3.50 (# 329:9 Unique 3.45, 4.17 A)
&rst
ixpk= 329, nxpk= 9, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 540, 541,
&end
#
# 34 TRP HA 34 TRP HB+ 4.20 (# 330:9 Unique 2.64, 2.82 A)
&rst
ixpk= 330, nxpk= 9, iat= 538, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 540, 541,
&end
#
# 33 PHE HA 0 AMB 9-1:332 3.50 (# 332:9 Single Ambig)
&rst
ixpk= 332, nxpk= 9, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 520, 521, 520, 521,
&end
#
# 0 AMB 9-2:333 0 AMB 9-1:333 4.20 (# 333:9 Double Ambig)
&rst
ixpk= 333, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 252, 399, 218,
igr2= 257, 258, 404, 405, 279, 280,
&end
#
# 8 ILE HA 0 AMB 9-1:337 3.50 (# 337:9 Single Ambig)
&rst
ixpk= 337, nxpk= 9, iat= 102, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 110, 111, 110, 111,
&end
#
# 9 TRP HA 0 AMB 9-1:338 2.80 (# 338:9 Single Ambig)
&rst
ixpk= 338, nxpk= 9, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 123, 124, 123, 124,
&end
#
# 31 VAL HA 31 VAL HB 3.50 (# 339:9 Unique 2.49, 2.52 A)
&rst
ixpk= 339, nxpk= 9, iat= 488, 490, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 10 VAL HA 10 VAL HB 5.20 (# 340:9 Unique 2.45, 2.51 A)
&rst
ixpk= 340, nxpk= 9, iat= 145, 147, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 7 THR HA 7 THR MG2 4.20 (# 341:9 Unique 2.52, 3.29 A)
&rst
ixpk= 341, nxpk= 9, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 92, 93, 94,
&end
#
# 9 TRP HA 10 VAL MGX 5.60 (# 342:9 Unique 3.75, 5.04 A)
&rst
ixpk= 342, nxpk= 9, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr2= 149, 150, 151, 153, 154, 155,
&end
#
# 33 PHE HA 10 VAL MGY 5.20 (# 343:9 Unique 1.93, 3.93 A)
&rst
ixpk= 343, nxpk= 9, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr2= 149, 150, 151, 153, 154, 155,
&end
#
# 10 VAL HA 10 VAL MGY 3.50 (# 344:9 Unique 2.45, 3.45 A)
&rst
ixpk= 344, nxpk= 9, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 149, 150, 151, 153, 154, 155,
&end
#
# 31 VAL HA 31 VAL MGY 4.50 (# 345:9 Unique 2.22, 3.45 A)
&rst
ixpk= 345, nxpk= 9, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 492, 493, 494, 496, 497, 498,
&end
#
# 31 VAL HA 31 VAL MGX 2.80 (# 346:9 Unique 2.22, 3.45 A)
&rst
ixpk= 346, nxpk= 9, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 492, 493, 494, 496, 497, 498,
&end
#
# 0 AMB 9-2:347 0 AMB 9-1:347 3.50 (# 347:9 Double Ambig)
&rst
ixpk= 347, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 64, 102,
igr2= 52, 53, 54, 56, 57, 58, 113, 114, 115,
&end
#
# 32 THR HA 32 THR MG2 3.50 (# 349:9 Unique 2.24, 3.07 A)
&rst
ixpk= 349, nxpk= 9, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 508, 509, 510,
&end
#
# 6 ARG HA 6 ARG HG+ 4.20 (# 350:9 Unique 2.01, 3.55 A)
&rst
ixpk= 350, nxpk= 9, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 69, 70,
&end
#
# 30 ARG HA 31 VAL MGY 5.20 (# 351:9 Unique 3.49, 4.85 A)
&rst
ixpk= 351, nxpk= 9, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr2= 492, 493, 494, 496, 497, 498,
&end
#
# 27 ALA HA 27 ALA MB 2.20 (# 352:9 Unique 2.26, 2.66 A)
&rst
ixpk= 352, nxpk= 9, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr2= 423, 424, 425,
&end
#
# 30 ARG HA 30 ARG HG- 5.20 (# 353:9 Unique 2.61, 3.72 A)
&rst
ixpk= 353, nxpk= 9, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 469, 470,
&end
#
# 0 AMB 9-2:354 0 AMB 9-1:354 4.50 (# 354:9 Double Ambig)
&rst
ixpk= 354, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 464, 421,
igr2= 466, 467, 407, 408,
&end
#
# 30 ARG HA 30 ARG HB- 4.20 (# 355:9 Unique 2.29, 2.53 A)
&rst
ixpk= 355, nxpk= 9, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 466, 467,
&end
#
# 4 GLN HA 0 AMB 9-1:356 4.50 (# 356:9 Single Ambig)
&rst
ixpk= 356, nxpk= 9, iat= 31, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 33, 34, 33, 34,
&end
#
# 25 LYS HA 0 AMB 9-1:357 3.50 (# 357:9 Single Ambig)
&rst
ixpk= 357, nxpk= 9, iat= 377, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 379, 380, 379, 380,
&end
#
# 17 LEU HA 17 LEU HB+ 4.20 (# 358:9 Unique 2.43, 2.81 A)
&rst
ixpk= 358, nxpk= 9, iat= 233, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 235, 236,
&end
#
# 20 LEU HA 20 LEU MDX 2.80 (# 359:9 Unique 1.98, 3.06 A)
&rst
ixpk= 359, nxpk= 9, iat= 296, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 303, 304, 305, 307, 308, 309,
&end
#
# 21 LYS HA 0 AMB 9-1:360 3.50 (# 360:9 Single Ambig)
&rst
ixpk= 360, nxpk= 9, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 323, 324, 323, 324,
&end
#
# 20 LEU HA 20 LEU HB+ 3.50 (# 361:9 Unique)
&rst
ixpk= 361, nxpk= 9, iat= 296, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 298, 299,
&end
#
# 17 LEU HA 17 LEU HG 3.50 (# 362:9 Unique 2.19, 2.77 A)
&rst
ixpk= 362, nxpk= 9, iat= 233, 238, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 10 VAL MGY 8 ILE QG2 6.00 (# 364:9 Unique )
&rst
ixpk= 364, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 149, 150, 151, 153, 154, 155,
igr2= 106, 107, 108,
&end
#
# 0 AMB 9-2:365 0 AMB 9-1:365 3.50 (# 365:9 Double Ambig)
&rst
ixpk= 365, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 263, 264, 263, 264, 263, 264,
igr2= 260, 261, 260, 261, 260, 261,
&end
#
# 34 TRP HB- 34 TRP HB+ 2.20 (# 366:9 Unique)
#This appears to be self-referential: ignoring
#
# 34 TRP HB+ 34 TRP HB- 2.20 (# 367:9 Unique)
#This appears to be self-referential: ignoring
#
# 23 GLU HG+ 23 GLU HB+ 2.80 (# 368:9 Unique 2.26, 2.72 A)
&rst
ixpk= 368, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 357, 358,
igr2= 354, 355,
&end
#
# 0 AMB 9-2:369 17 LEU MDX 4.20 (# 369:9 Single Ambig)
&rst
ixpk= 369, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr1= 520, 521, 520, 521,
igr2= 240, 241, 242, 244, 245, 246,
&end
#
# 17 LEU MDX 0 AMB 9-1:370 4.50 (# 370:9 Single Ambig)
&rst
ixpk= 370, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 240, 241, 242, 244, 245, 246,
igr2= 520, 521, 520, 521,
&end
#
# 17 LEU MDY 17 LEU MDX 4.20 (# 371:9 Unique)
#This appears to be self-referential: ignoring
#
# 0 AMB 9-2:372 0 AMB 9-1:372 2.80 (# 372:9 Double Ambig)
&rst
ixpk= 372, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 342, 343, 317, 318, 317, 318, 317, 318,
igr2= 404, 405, 320, 321, 320, 321, 320, 321,
&end
#
# 0 AMB 9-2:373 31 VAL HB 3.50 (# 373:9 Single Ambig)
&rst
ixpk= 373, nxpk= 9, iat= -1, 490, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 110, 111, 110, 111,
&end
#
# 29 ILE QD1 31 VAL MGY 3.50 (# 374:9 Unique 2.10, 4.59 A)
&rst
ixpk= 374, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 456, 457, 458,
igr2= 492, 493, 494, 496, 497, 498,
&end
#
# 33 PHE HZ 31 VAL MGY 4.50 (# 375:9 Unique 1.96, 4.00 A)
&rst
ixpk= 375, nxpk= 9, iat= 528, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 492, 493, 494, 496, 497, 498,
&end
#
# 17 LEU HG 17 LEU HB+ 4.20 (# 376:9 Unique 2.34, 2.76 A)
&rst
ixpk= 376, nxpk= 9, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 235, 236,
&end
#
# 17 LEU MDY 17 LEU HB+ 4.50 (# 377:9 Unique 2.03, 3.31 A)
&rst
ixpk= 377, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 240, 241, 242, 244, 245, 246,
igr2= 235, 236,
&end
#
# 17 LEU HB+ 17 LEU HB- 2.20 (# 378:9 Unique)
#This appears to be self-referential: ignoring
#
# 17 LEU HB- 17 LEU HB+ 2.20 (# 379:9 Unique)
#This appears to be self-referential: ignoring
#
# 10 VAL HB 10 VAL MGY 2.80 (# 380:9 Unique 2.23, 2.65 A)
&rst
ixpk= 380, nxpk= 9, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 149, 150, 151, 153, 154, 155,
&end
#
# 31 VAL HB 10 VAL MGY 4.50 (# 381:9 Unique 4.43, 5.62 A)
&rst
ixpk= 381, nxpk= 9, iat= 490, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 149, 150, 151, 153, 154, 155,
&end
#
# 20 LEU HG 10 VAL MGY 3.50 (# 382:9 Unique 2.39, 4.41 A)
&rst
ixpk= 382, nxpk= 9, iat= 301, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 149, 150, 151, 153, 154, 155,
&end
#
# 0 AMB 9-2:383 10 VAL MGY 5.20 (# 383:9 Single Ambig)
&rst
ixpk= 383, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.45, r4= 9.95,
igr1= 113, 114, 115, 179, 180, 181,
igr2= 149, 150, 151, 153, 154, 155,
&end
#
# 10 VAL MGY 31 VAL MGX 4.50 (# 384:9 Unique)
&rst
ixpk= 384, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 149, 150, 151, 153, 154, 155,
igr2= 492, 493, 494, 496, 497, 498,
&end
#
# 23 GLU HB+ 31 VAL MGX 3.50 (# 385:9 Unique 3.56, 5.64 A)
&rst
ixpk= 385, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 354, 355,
igr2= 492, 493, 494, 496, 497, 498,
&end
#
# 4 GLN HG- 0 AMB 9-1:386 3.50 (# 386:9 Single Ambig)
&rst
ixpk= 386, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 36, 37,
igr2= 453, 454, 453, 454,
&end
#
# 0 AMB 9-2:387 19 LYS HG- 4.20 (# 387:9 Single Ambig)
&rst
ixpk= 387, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 276, 277, 276, 277,
igr2= 279, 280,
&end
#
# 0 AMB 9-2:388 20 LEU MDY 4.20 (# 388:9 Single Ambig)
&rst
ixpk= 388, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr1= 110, 111, 110, 111,
igr2= 303, 304, 305, 307, 308, 309,
&end
#
# 29 ILE QG2 0 AMB 9-1:389 2.20 (# 389:9 Single Ambig)
&rst
ixpk= 389, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr1= 449, 450, 451,
igr2= 453, 454, 453, 454,
&end
#
# 17 LEU HB+ 17 LEU MDY 4.20 (# 390:9 Unique 2.03, 3.31 A)
&rst
ixpk= 390, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 235, 236,
igr2= 240, 241, 242, 244, 245, 246,
&end
#
# 17 LEU HB+ 17 LEU HG 4.20 (# 391:9 Unique 2.34, 2.76 A)
&rst
ixpk= 391, nxpk= 9, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 235, 236,
&end
#
# 31 VAL MGX 10 VAL MGY 4.50 (# 392:9 Unique)
&rst
ixpk= 392, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 492, 493, 494, 496, 497, 498,
igr2= 149, 150, 151, 153, 154, 155,
&end
#
# 10 VAL MGY 0 AMB 9-1:393 4.20 (# 393:9 Single Ambig)
&rst
ixpk= 393, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
igr1= 149, 150, 151, 153, 154, 155,
igr2= 113, 114, 115, 179, 180, 181,
&end
#
# 10 VAL MGY 20 LEU HG 3.50 (# 394:9 Unique 2.39, 4.41 A)
&rst
ixpk= 394, nxpk= 9, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 149, 150, 151, 153, 154, 155,
&end
#
# 10 VAL MGY 10 VAL HB 2.80 (# 395:9 Unique 2.23, 2.65 A)
&rst
ixpk= 395, nxpk= 9, iat= -1, 147, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 149, 150, 151, 153, 154, 155,
&end
#
# 10 VAL MGY 31 VAL HB 4.50 (# 396:9 Unique 4.43, 5.62 A)
&rst
ixpk= 396, nxpk= 9, iat= -1, 490, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 149, 150, 151, 153, 154, 155,
&end
#
# 20 LEU MDX 20 LEU HB+ 2.80 (# 397:9 Unique)
&rst
ixpk= 397, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 303, 304, 305, 307, 308, 309,
igr2= 298, 299,
&end
#
# 10 VAL MGX 10 VAL HB 3.50 (# 398:9 Unique 2.23, 2.65 A)
&rst
ixpk= 398, nxpk= 9, iat= -1, 147, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 149, 150, 151, 153, 154, 155,
&end
#
# 31 VAL MGY 31 VAL HB 2.20 (# 399:9 Unique 2.23, 2.65 A)
&rst
ixpk= 399, nxpk= 9, iat= -1, 490, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr1= 492, 493, 494, 496, 497, 498,
&end
#
# 20 LEU HB+ 20 LEU MDX 2.80 (# 400:9 Unique)
&rst
ixpk= 400, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 298, 299,
igr2= 303, 304, 305, 307, 308, 309,
&end
#
# 10 VAL HB 10 VAL MGX 3.50 (# 401:9 Unique 2.23, 2.65 A)
&rst
ixpk= 401, nxpk= 9, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 149, 150, 151, 153, 154, 155,
&end
#
# 24 ALA MB 31 VAL MGY 3.50 (# 402:9 Unique 1.97, 3.90 A)
&rst
ixpk= 402, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 369, 370, 371,
igr2= 492, 493, 494, 496, 497, 498,
&end
#
# 31 VAL HB 31 VAL MGY 2.80 (# 403:9 Unique 2.23, 2.65 A)
&rst
ixpk= 403, nxpk= 9, iat= 490, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 492, 493, 494, 496, 497, 498,
&end
#
# 31 VAL HB 31 VAL MGX 2.80 (# 404:9 Unique 2.23, 2.65 A)
&rst
ixpk= 404, nxpk= 9, iat= 490, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 492, 493, 494, 496, 497, 498,
&end
#
# 0 AMB 9-2:405 0 AMB 9-1:405 2.20 (# 405:9 Double Ambig)
&rst
ixpk= 405, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 257, 258, 404, 405, 279, 280,
igr2= 260, 261, 260, 261, 407, 408, 407, 408,
&end
#
# 5 VAL HB 5 VAL MGX 2.80 (# 406:9 Unique 2.23, 2.65 A)
&rst
ixpk= 406, nxpk= 9, iat= 50, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 52, 53, 54, 56, 57, 58,
&end
#
# 5 VAL HB 5 VAL MGY 3.50 (# 407:9 Unique 2.23, 2.65 A)
&rst
ixpk= 407, nxpk= 9, iat= 50, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 52, 53, 54, 56, 57, 58,
&end
#
# 23 GLU HB+ 29 ILE QD1 4.20 (# 408:9 Unique 1.97, 3.73 A)
&rst
ixpk= 408, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 354, 355,
igr2= 456, 457, 458,
&end
#
# 0 AMB 9-2:409 7 THR MG2 4.20 (# 409:9 Single Ambig)
&rst
ixpk= 409, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 123, 124, 123, 124,
igr2= 92, 93, 94,
&end
#
# 0 AMB 9-2:410 0 AMB 9-1:410 2.80 (# 410:9 Double Ambig)
&rst
ixpk= 410, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 317, 318, 317, 318, 317, 318,
igr2= 323, 324, 323, 324, 323, 324,
&end
#
# 0 AMB 9-2:411 8 ILE QD1 2.80 (# 411:9 Single Ambig)
&rst
ixpk= 411, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 110, 111, 110, 111,
igr2= 113, 114, 115,
&end
#
# 0 AMB 9-2:412 31 VAL MGY 3.50 (# 412:9 Single Ambig)
&rst
ixpk= 412, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 323, 324, 323, 324,
igr2= 492, 493, 494, 496, 497, 498,
&end
#
# 31 VAL MGX 23 GLU HB+ 3.50 (# 413:9 Unique 3.56, 5.64 A)
&rst
ixpk= 413, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 492, 493, 494, 496, 497, 498,
igr2= 354, 355,
&end
#
# 0 AMB 9-2:414 4 GLN HG- 3.50 (# 414:9 Single Ambig)
&rst
ixpk= 414, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 453, 454, 453, 454,
igr2= 36, 37,
&end
#
# 5 VAL MGX 5 VAL HB 2.80 (# 415:9 Unique 2.23, 2.65 A)
&rst
ixpk= 415, nxpk= 9, iat= -1, 50, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 52, 53, 54, 56, 57, 58,
&end
#
# 5 VAL MGY 5 VAL HB 3.50 (# 416:9 Unique 2.23, 2.65 A)
&rst
ixpk= 416, nxpk= 9, iat= -1, 50, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 52, 53, 54, 56, 57, 58,
&end
#
# 31 VAL MGX 31 VAL HB 2.80 (# 417:9 Unique 2.23, 2.65 A)
&rst
ixpk= 417, nxpk= 9, iat= -1, 490, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 492, 493, 494, 496, 497, 498,
&end
#
# 0 AMB 9-2:418 27 ALA MB 3.50 (# 418:9 Single Ambig)
&rst
ixpk= 418, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 453, 454, 453, 454,
igr2= 423, 424, 425,
&end
#
# 8 ILE QD1 8 ILE QG2 3.50 (# 419:9 Unique 2.52, 4.57 A)
&rst
ixpk= 419, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 113, 114, 115,
igr2= 106, 107, 108,
&end
#
# 0 AMB 9-2:420 0 AMB 9-1:420 2.20 (# 420:9 Double Ambig)
&rst
ixpk= 420, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 323, 324, 323, 324, 323, 324, 301,
igr2= 320, 321, 320, 321, 320, 321, 298, 299,
&end
#
# 8 ILE HB 8 ILE QG2 2.20 (# 421:9 Unique 2.33, 2.64 A)
&rst
ixpk= 421, nxpk= 9, iat= 104, -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr2= 106, 107, 108,
&end
#
# 0 AMB 9-2:422 24 ALA MB 2.80 (# 422:9 Single Ambig)
&rst
ixpk= 422, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 323, 324, 323, 324,
igr2= 369, 370, 371,
&end
#
# 0 AMB 9-2:423 0 AMB 9-1:423 2.20 (# 423:9 Double Ambig)
&rst
ixpk= 423, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 323, 324, 323, 324, 323, 324,
igr2= 385, 386, 385, 386, 385, 386,
&end
#
# 0 AMB 9-2:424 0 AMB 9-1:424 2.80 (# 424:9 Double Ambig)
&rst
ixpk= 424, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 323, 324, 323, 324, 323, 324,
igr2= 317, 318, 317, 318, 317, 318,
&end
#
# 7 THR MG2 0 AMB 9-1:425 4.20 (# 425:9 Single Ambig)
&rst
ixpk= 425, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 92, 93, 94,
igr2= 123, 124, 123, 124,
&end
#
# 29 ILE QD1 23 GLU HB+ 3.50 (# 426:9 Unique 1.97, 3.73 A)
&rst
ixpk= 426, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 456, 457, 458,
igr2= 354, 355,
&end
#
# 0 AMB 9-2:427 0 AMB 9-1:427 2.80 (# 427:9 Double Ambig)
&rst
ixpk= 427, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 404, 405, 320, 321, 320, 321, 320, 321,
igr2= 342, 343, 317, 318, 317, 318, 317, 318,
&end
#
# 17 LEU MDX 17 LEU MDY 4.20 (# 428:9 Unique)
#This appears to be self-referential: ignoring
#
# 19 LYS HG- 0 AMB 9-1:429 3.50 (# 429:9 Single Ambig)
&rst
ixpk= 429, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 279, 280,
igr2= 276, 277, 276, 277,
&end
#
# 19 LYS HG- 0 AMB 9-1:430 2.80 (# 430:9 Single Ambig)
&rst
ixpk= 430, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 279, 280,
igr2= 282, 283, 282, 283,
&end
#
# 0 AMB 9-2:431 19 LYS HG- 2.80 (# 431:9 Single Ambig)
&rst
ixpk= 431, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 282, 283, 282, 283,
igr2= 279, 280,
&end
#
# 0 AMB 9-2:432 0 AMB 9-1:432 2.80 (# 432:9 Double Ambig)
&rst
ixpk= 432, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 320, 321, 320, 321, 320, 321, 298, 299,
igr2= 323, 324, 323, 324, 323, 324, 301,
&end
#
# 8 ILE QG2 8 ILE HB 2.80 (# 433:9 Unique 2.33, 2.64 A)
&rst
ixpk= 433, nxpk= 9, iat= -1, 104, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 106, 107, 108,
&end
#
# 8 ILE QG2 8 ILE QD1 3.50 (# 434:9 Unique 2.52, 4.57 A)
&rst
ixpk= 434, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 106, 107, 108,
igr2= 113, 114, 115,
&end
#
# 27 ALA MB 0 AMB 9-1:435 3.50 (# 435:9 Single Ambig)
&rst
ixpk= 435, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 423, 424, 425,
igr2= 453, 454, 453, 454,
&end
#
# 29 ILE QG2 29 ILE QD1 3.50 (# 436:9 Unique 3.05, 4.41 A)
&rst
ixpk= 436, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 449, 450, 451,
igr2= 456, 457, 458,
&end
#
# 0 AMB 9-2:437 0 AMB 9-1:437 2.20 (# 437:9 Double Ambig)
&rst
ixpk= 437, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 385, 386, 385, 386, 385, 386,
igr2= 323, 324, 323, 324, 323, 324,
&end
#
# 24 ALA MB 0 AMB 9-1:438 2.80 (# 438:9 Single Ambig)
&rst
ixpk= 438, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 369, 370, 371,
igr2= 323, 324, 323, 324,
&end
#
# 23 GLU HB+ 23 GLU HG+ 2.80 (# 439:9 Unique 2.26, 2.72 A)
&rst
ixpk= 439, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 354, 355,
igr2= 357, 358,
&end
#
# 0 AMB 9-2:440 0 AMB 9-1:440 4.50 (# 440:9 Double Ambig)
&rst
ixpk= 440, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 260, 261, 260, 261, 260, 261,
igr2= 263, 264, 263, 264, 263, 264,
&end
#
# 0 AMB 9-2:441 0 AMB 9-1:441 4.20 (# 441:9 Double Ambig)
&rst
ixpk= 441, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
igr1= 385, 386, 385, 386, 385, 386,
igr2= 388, 389, 388, 389, 388, 389,
&end
#
# 8 ILE QD1 0 AMB 9-1:443 4.50 (# 443:9 Single Ambig)
&rst
ixpk= 443, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 113, 114, 115,
igr2= 520, 521, 520, 521,
&end
#
# 29 ILE HB 28 ASN HB- 6.00 (# 444:9 Unique 5.66, 6.47 A)
&rst
ixpk= 444, nxpk= 9, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 433, 434,
&end
#
# 8 ILE QD1 0 AMB 9-1:446 2.80 (# 446:9 Single Ambig)
&rst
ixpk= 446, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 113, 114, 115,
igr2= 110, 111, 110, 111,
&end
#
# 17 LEU HG 17 LEU HA 3.50 (# 448:9 Unique)
&rst
ixpk= 448, nxpk= 9, iat= 238, 233, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 20 LEU HB+ 20 LEU HA 4.20 (# 449:9 Unique)
&rst
ixpk= 449, nxpk= 9, iat= -1, 296, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 298, 299,
&end
#
# 0 AMB 9-2:450 19 LYS HA 2.80 (# 450:9 Single Ambig)
&rst
ixpk= 450, nxpk= 9, iat= -1, 274, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 276, 277, 276, 277,
&end
#
# 20 LEU MDX 20 LEU HA 2.80 (# 451:9 Unique 1.98, 3.06 A)
&rst
ixpk= 451, nxpk= 9, iat= -1, 296, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 303, 304, 305, 307, 308, 309,
&end
#
# 0 AMB 9-2:452 24 ALA HA 3.50 (# 452:9 Single Ambig)
&rst
ixpk= 452, nxpk= 9, iat= -1, 367, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 453, 454, 453, 454,
&end
#
# 0 AMB 9-2:453 21 LYS HA 3.50 (# 453:9 Single Ambig)
&rst
ixpk= 453, nxpk= 9, iat= -1, 315, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 323, 324, 323, 324,
&end
#
# 29 ILE QD1 29 ILE HA 4.50 (# 454:9 Unique 4.26, 4.86 A)
&rst
ixpk= 454, nxpk= 9, iat= -1, 445, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 456, 457, 458,
&end
#
# 5 VAL MGY 5 VAL HA 4.50 (# 455:9 Unique 2.10, 3.28 A)
&rst
ixpk= 455, nxpk= 9, iat= -1, 48, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 52, 53, 54, 56, 57, 58,
&end
#
# 0 AMB 9-2:456 5 VAL HA 4.20 (# 456:9 Single Ambig)
&rst
ixpk= 456, nxpk= 9, iat= -1, 48, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 52, 53, 54, 56, 57, 58, 447,
&end
#
# 32 THR MG2 32 THR HB 4.20 (# 457:9 Unique)
&rst
ixpk= 457, nxpk= 9, iat= -1, 506, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 508, 509, 510,
&end
#
# 20 LEU HG 20 LEU HA 3.50 (# 458:9 Unique 3.55, 3.58 A)
&rst
ixpk= 458, nxpk= 9, iat= 301, 296, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 9-2:459 0 AMB 9-1:459 3.50 (# 459:9 Double Ambig)
&rst
ixpk= 459, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 257, 258, 404, 405, 279, 280,
igr2= 252, 399, 218,
&end
#
# 0 AMB 9-2:460 0 AMB 9-1:460 2.80 (# 460:9 Double Ambig)
&rst
ixpk= 460, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 220, 221, 220, 221, 354, 355,
igr2= 218, 352,
&end
#
# 22 GLU HB+ 22 GLU HA 4.50 (# 461:9 Unique 2.31, 2.77 A)
&rst
ixpk= 461, nxpk= 9, iat= -1, 337, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 339, 340,
&end
#
# 0 AMB 9-2:462 0 AMB 9-1:462 4.20 (# 462:9 Double Ambig)
&rst
ixpk= 462, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 223, 224, 342, 343,
igr2= 177, 337,
&end
#
# 16 GLU HG+ 16 GLU HA 3.50 (# 463:9 Unique 3.14, 3.71 A)
&rst
ixpk= 463, nxpk= 9, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 223, 224,
&end
#
# 13 THR HB 20 LEU MDY 5.60 (# 464:9 Unique 4.77, 6.46 A)
&rst
ixpk= 464, nxpk= 9, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr2= 303, 304, 305, 307, 308, 309,
&end
#
# 24 ALA HA 0 AMB 9-1:465 3.50 (# 465:9 Single Ambig)
&rst
ixpk= 465, nxpk= 9, iat= 367, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 453, 454, 453, 454,
&end
#
# 29 ILE HA 29 ILE QD1 4.50 (# 466:9 Unique 4.26, 4.86 A)
&rst
ixpk= 466, nxpk= 9, iat= 445, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 456, 457, 458,
&end
#
# 5 VAL HA 5 VAL MGY 4.50 (# 467:9 Unique 2.10, 3.28 A)
&rst
ixpk= 467, nxpk= 9, iat= 48, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 52, 53, 54, 56, 57, 58,
&end
#
# 5 VAL HA 0 AMB 9-1:468 4.20 (# 468:9 Single Ambig)
&rst
ixpk= 468, nxpk= 9, iat= 48, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 52, 53, 54, 56, 57, 58, 447,
&end
#
# 0 AMB 9-2:469 0 AMB 9-1:469 4.20 (# 469:9 Double Ambig)
&rst
ixpk= 469, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 90, 506,
igr2= 92, 93, 94, 508, 509, 510,
&end
#
# 20 LEU HA 20 LEU HG 3.50 (# 470:9 Unique 3.55, 3.58 A)
&rst
ixpk= 470, nxpk= 9, iat= 296, 301, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 19 LYS HA 0 AMB 9-1:471 2.80 (# 471:9 Single Ambig)
&rst
ixpk= 471, nxpk= 9, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 276, 277, 276, 277,
&end
#
# 0 AMB 9-2:472 0 AMB 9-1:472 3.50 (# 472:9 Double Ambig)
&rst
ixpk= 472, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 177, 337,
igr2= 223, 224, 342, 343,
&end
#
# 22 GLU HA 22 GLU HB+ 3.50 (# 473:9 Unique 2.31, 2.77 A)
&rst
ixpk= 473, nxpk= 9, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 339, 340,
&end
#
# 16 GLU HA 16 GLU HG+ 3.50 (# 474:9 Unique 3.14, 3.71 A)
&rst
ixpk= 474, nxpk= 9, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 223, 224,
&end
#
# 22 GLU HA 0 AMB 9-1:475 4.20 (# 475:9 Single Ambig)
&rst
ixpk= 475, nxpk= 9, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2= 401, 402, 401, 402,
&end
#
# 0 AMB 9-2:476 0 AMB 9-1:476 2.20 (# 476:9 Double Ambig)
&rst
ixpk= 476, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1= 352, 252, 399,
igr2= 401, 402, 401, 402, 254, 255, 254, 255, 401, 402,
&end
#
# 0 AMB 9-2:477 0 AMB 9-1:477 2.80 (# 477:9 Double Ambig)
&rst
ixpk= 477, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 218, 352,
igr2= 220, 221, 220, 221, 354, 355,
&end
#
# 0 AMB 9-2:478 0 AMB 9-1:478 3.50 (# 478:9 Double Ambig)
&rst
ixpk= 478, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 399, 252, 352,
igr2= 407, 408, 407, 408, 260, 261, 260, 261,
&end
#
# 24 ALA HA 24 ALA MB 4.20 (# 479:9 Unique 2.24, 2.66 A)
&rst
ixpk= 479, nxpk= 9, iat= 367, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 369, 370, 371,
&end
#
# 23 GLU HA 23 GLU HG- 4.20 (# 480:9 Unique)
&rst
ixpk= 480, nxpk= 9, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 357, 358,
&end
#
# 0 AMB 9-2:481 0 AMB 9-1:481 4.20 (# 481:9 Double Ambig)
&rst
ixpk= 481, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 352, 203,
igr2= 357, 358, 208, 209, 342, 343,
&end
#
# 15 GLU HA 15 GLU HG- 4.20 (# 482:9 Unique 2.28, 3.07 A)
&rst
ixpk= 482, nxpk= 9, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 208, 209,
&end
#
# 0 AMB 9-2:484 0 AMB 9-1:484 4.50 (# 484:9 Double Ambig)
&rst
ixpk= 484, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 388, 389, 388, 389, 388, 389,
igr2= 385, 386, 385, 386, 385, 386,
&end
#
# 20 LEU HB- 20 LEU HN 3.50 (# 485:9 Unique 1.98, 2.62 A)
&rst
ixpk= 485, nxpk= 9, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 298, 299,
&end
#
# 0 AMB 9-2:486 0 AMB 9-1:486 4.20 (# 486:9 Double Ambig)
&rst
ixpk= 486, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 354, 355, 220, 221, 220, 221, 339, 340,
igr2= 365, 294,
&end
#
# 0 AMB 9-2:487 0 AMB 9-1:487 4.20 (# 487:9 Double Ambig)
&rst
ixpk= 487, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 339, 340, 339, 340,
igr2= 365, 294,
&end
#
# 0 AMB 9-2:488 0 AMB 9-1:488 2.80 (# 488:9 Double Ambig)
&rst
ixpk= 488, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 102, 64,
igr2= 119, 86,
&end
#
# 8 ILE HN 10 VAL HN 5.60 (# 489:9 Unique)
&rst
ixpk= 489, nxpk= 9, iat= 100, 143, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 33 PHE HA 33 PHE HD 4.50 (# 490:9 Unique 2.10, 3.56 A)
&rst
ixpk= 490, nxpk= 9, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 524, 532,
&end
#
# 33 PHE HZ 0 AMB 9-1:491 2.80 (# 491:9 Single Ambig)
&rst
ixpk= 491, nxpk= 9, iat= 528, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 323, 324, 323, 324,
&end
#
# 10 VAL MGY 10 VAL MGX 2.80 (# 493:9 Unique)
#This appears to be self-referential: ignoring
#
# 31 VAL MGY 31 VAL MGX 2.80 (# 494:9 Unique)
#This appears to be self-referential: ignoring
#
# 31 VAL MGX 31 VAL MGY 2.80 (# 495:9 Unique)
#This appears to be self-referential: ignoring
#
# 20 LEU MDY 20 LEU MDX 2.80 (# 496:9 Unique)
#This appears to be self-referential: ignoring
#
# 20 LEU MDX 20 LEU MDY 2.80 (# 497:9 Unique)
#This appears to be self-referential: ignoring
#
# 20 LEU MDX 8 ILE QD1 4.20 (# 498:9 Unique 1.94, 4.51 A)
&rst
ixpk= 498, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 303, 304, 305, 307, 308, 309,
igr2= 113, 114, 115,
&end
#
# 29 ILE QD1 31 VAL MGX 2.20 (# 499:9 Unique 2.10, 4.59 A)
&rst
ixpk= 499, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr1= 456, 457, 458,
igr2= 492, 493, 494, 496, 497, 498,
&end
#
# 8 ILE HB 8 ILE QD1 2.20 (# 500:9 Unique 2.10, 2.82 A)
&rst
ixpk= 500, nxpk= 9, iat= 104, -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr2= 113, 114, 115,
&end
#
# 20 LEU HG 20 LEU MDY 2.80 (# 501:9 Unique 2.22, 2.64 A)
&rst
ixpk= 501, nxpk= 9, iat= 301, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 303, 304, 305, 307, 308, 309,
&end
#
# 8 ILE QD1 20 LEU MDX 4.20 (# 502:9 Unique 1.94, 4.51 A)
&rst
ixpk= 502, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 113, 114, 115,
igr2= 303, 304, 305, 307, 308, 309,
&end
#
# 31 VAL MGX 29 ILE QD1 2.20 (# 503:9 Unique 2.10, 4.59 A)
&rst
ixpk= 503, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr1= 492, 493, 494, 496, 497, 498,
igr2= 456, 457, 458,
&end
#
# 31 VAL MGY 29 ILE QD1 3.50 (# 504:9 Unique 2.10, 4.59 A)
&rst
ixpk= 504, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 492, 493, 494, 496, 497, 498,
igr2= 456, 457, 458,
&end
#
# 0 AMB 9-2:505 29 ILE QG2 2.20 (# 505:9 Single Ambig)
&rst
ixpk= 505, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr1= 453, 454, 453, 454,
igr2= 449, 450, 451,
&end
#
# 0 AMB 9-2:506 33 PHE HZ 5.60 (# 506:9 Single Ambig)
&rst
ixpk= 506, nxpk= 9, iat= -1, 528, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1= 320, 321, 320, 321, 298, 299,
&end
#
# 17 LEU HG 33 PHE HE 5.20 (# 507:9 Unique 3.20, 5.22 A)
&rst
ixpk= 507, nxpk= 9, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 526, 530,
&end
#
# 8 ILE QD1 33 PHE HZ 5.20 (# 508:9 Unique 5.25, 6.56 A)
&rst
ixpk= 508, nxpk= 9, iat= -1, 528, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 113, 114, 115,
&end
#
# 31 VAL HN 31 VAL MGY 2.80 (# 509:9 Unique 1.86, 3.18 A)
&rst
ixpk= 509, nxpk= 9, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 492, 493, 494, 496, 497, 498,
&end
#
# 33 PHE HE 31 VAL MGY 3.50 (# 510:9 Unique 1.95, 4.91 A)
&rst
ixpk= 510, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 526, 530,
igr2= 492, 493, 494, 496, 497, 498,
&end
#
# 0 AMB 9-2:511 10 VAL MGY 4.50 (# 511:9 Single Ambig)
&rst
ixpk= 511, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 526, 530, 555,
igr2= 149, 150, 151, 153, 154, 155,
&end
#
# 33 PHE HD 10 VAL MGY 4.50 (# 512:9 Unique 1.96, 5.55 A)
&rst
ixpk= 512, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 524, 532,
igr2= 149, 150, 151, 153, 154, 155,
&end
#
# 0 AMB 9-2:513 10 VAL MGX 5.20 (# 513:9 Single Ambig)
&rst
ixpk= 513, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
igr1= 526, 530, 555,
igr2= 149, 150, 151, 153, 154, 155,
&end
#
# 33 PHE HD 10 VAL MGX 5.20 (# 514:9 Unique 1.96, 5.55 A)
&rst
ixpk= 514, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
igr1= 524, 532,
igr2= 149, 150, 151, 153, 154, 155,
&end
#
# 33 PHE HD 8 ILE QD1 2.80 (# 515:9 Unique 2.31, 5.66 A)
&rst
ixpk= 515, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 524, 532,
igr2= 113, 114, 115,
&end
#
# 34 TRP HH2 32 THR MG2 3.50 (# 516:9 Unique)
&rst
ixpk= 516, nxpk= 9, iat= 551, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 508, 509, 510,
&end
#
# 33 PHE HE 0 AMB 9-1:517 2.80 (# 517:9 Single Ambig)
&rst
ixpk= 517, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 526, 530,
igr2= 323, 324, 323, 324,
&end
#
# 33 PHE HE 24 ALA MB 4.20 (# 518:9 Unique 4.89, 5.90 A)
&rst
ixpk= 518, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 526, 530,
igr2= 369, 370, 371,
&end
#
# 33 PHE HZ 24 ALA MB 4.50 (# 519:9 Unique 3.75, 4.52 A)
&rst
ixpk= 519, nxpk= 9, iat= 528, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 369, 370, 371,
&end
#
# 25 LYS HN 24 ALA MB 4.20 (# 520:9 Unique 1.90, 2.99 A)
&rst
ixpk= 520, nxpk= 9, iat= 375, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 369, 370, 371,
&end
#
# 27 ALA HN 27 ALA MB 2.80 (# 521:9 Unique 2.03, 2.96 A)
&rst
ixpk= 521, nxpk= 9, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 423, 424, 425,
&end
#
# 5 VAL HN 5 VAL MGY 4.20 (# 522:9 Unique 1.95, 4.00 A)
&rst
ixpk= 522, nxpk= 9, iat= 46, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 52, 53, 54, 56, 57, 58,
&end
#
# 24 ALA HN 24 ALA MB 2.80 (# 523:9 Unique)
&rst
ixpk= 523, nxpk= 9, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 369, 370, 371,
&end
#
# 17 LEU HN 17 LEU HG 2.80 (# 524:9 Unique 1.92, 2.64 A)
&rst
ixpk= 524, nxpk= 9, iat= 231, 238, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 18 LYS HN 0 AMB 9-1:525 4.20 (# 525:9 Single Ambig)
&rst
ixpk= 525, nxpk= 9, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2= 260, 261, 260, 261,
&end
#
# 23 GLU HN 0 AMB 9-1:526 4.20 (# 526:9 Single Ambig)
&rst
ixpk= 526, nxpk= 9, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2= 276, 277, 276, 277,
&end
#
# 25 LYS HN 0 AMB 9-1:527 2.80 (# 527:9 Single Ambig)
&rst
ixpk= 527, nxpk= 9, iat= 375, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 379, 380, 379, 380,
&end
#
# 23 GLU HN 0 AMB 9-1:528 2.80 (# 528:9 Double Ambig)
&rst
ixpk= 528, nxpk= 9, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 339, 340, 354, 355,
&end
#
# 5 VAL HN 5 VAL HB 3.50 (# 529:9 Unique 2.27, 2.84 A)
&rst
ixpk= 529, nxpk= 9, iat= 46, 50, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 20 LEU HN 0 AMB 9-1:530 2.80 (# 530:9 Single Ambig)
&rst
ixpk= 530, nxpk= 9, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 279, 280, 298, 299,
&end
#
# 29 ILE HN 29 ILE QG2 2.20 (# 531:9 Unique 2.27, 3.19 A)
&rst
ixpk= 531, nxpk= 9, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr2= 449, 450, 451,
&end
#
# 26 LYS HN 0 AMB 9-1:532 2.80 (# 532:9 Single Ambig)
&rst
ixpk= 532, nxpk= 9, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 401, 402, 401, 402,
&end
#
# 0 AMB 9-2:533 0 AMB 9-1:533 3.50 (# 533:9 Double Ambig)
&rst
ixpk= 533, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 29, 397,
igr2= 33, 34, 33, 34, 379, 380, 379, 380,
&end
#
# 21 LYS HN 0 AMB 9-1:534 2.80 (# 534:9 Single Ambig)
&rst
ixpk= 534, nxpk= 9, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 298, 299, 320, 321, 320, 321,
&end
#
# 31 VAL HN 31 VAL MGX 5.20 (# 535:9 Unique 1.86, 3.18 A)
&rst
ixpk= 535, nxpk= 9, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr2= 492, 493, 494, 496, 497, 498,
&end
#
# 18 LYS HN 18 LYS HG- 4.50 (# 536:9 Unique 2.00, 3.83 A)
&rst
ixpk= 536, nxpk= 9, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 257, 258,
&end
#
# 0 AMB 9-2:537 0 AMB 9-1:537 4.20 (# 537:9 Double Ambig)
&rst
ixpk= 537, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 46, 567,
igr2= 31, 562, 563,
&end
#
# 28 ASN HN 28 ASN HA 4.20 (# 538:9 Unique 2.20, 2.65 A)
&rst
ixpk= 538, nxpk= 9, iat= 429, 431, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 17 LEU HN 17 LEU HA 4.20 (# 539:9 Unique 2.66, 2.69 A)
&rst
ixpk= 539, nxpk= 9, iat= 231, 233, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 33 PHE HE 17 LEU HA 4.20 (# 540:9 Unique 3.33, 4.77 A)
&rst
ixpk= 540, nxpk= 9, iat= -1, 233, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 526, 530,
&end
#
# 33 PHE HZ 17 LEU HA 4.50 (# 541:9 Unique 3.46, 4.23 A)
&rst
ixpk= 541, nxpk= 9, iat= 528, 233, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 LYS HN 19 LYS HA 4.20 (# 542:9 Unique 2.90, 2.91 A)
&rst
ixpk= 542, nxpk= 9, iat= 272, 274, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 15 GLU HN 15 GLU HA 4.20 (# 543:9 Unique 2.78, 2.83 A)
&rst
ixpk= 543, nxpk= 9, iat= 201, 203, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 26 LYS HN 26 LYS HA 3.50 (# 544:9 Unique)
&rst
ixpk= 544, nxpk= 9, iat= 397, 399, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 24 ALA HN 24 ALA HA 4.20 (# 545:9 Unique 2.75, 2.80 A)
&rst
ixpk= 545, nxpk= 9, iat= 365, 367, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 36 ASP HN 34 TRP HB- 5.20 (# 546:9 Unique 2.24, 3.08 A)
&rst
ixpk= 546, nxpk= 9, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 540, 541,
&end
#
# 15 GLU HN 15 GLU HG- 4.50 (# 547:9 Unique 1.93, 3.55 A)
&rst
ixpk= 547, nxpk= 9, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 208, 209,
&end
#
# 23 GLU HN 23 GLU HG+ 4.50 (# 548:9 Unique 1.94, 3.30 A)
&rst
ixpk= 548, nxpk= 9, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 357, 358,
&end
#
# 23 GLU HN 0 AMB 9-1:549 4.20 (# 549:9 Single Ambig)
&rst
ixpk= 549, nxpk= 9, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2= 357, 358, 342, 343,
&end
#
# 21 LYS HN 0 AMB 9-1:550 3.50 (# 550:9 Single Ambig)
&rst
ixpk= 550, nxpk= 9, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 317, 318, 317, 318,
&end
#
# 0 AMB 9-2:551 0 AMB 9-1:551 3.50 (# 551:9 Double Ambig)
&rst
ixpk= 551, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 350, 250,
igr2= 352, 252,
&end
#
# 27 ALA HN 23 GLU HA 4.50 (# 552:9 Unique 1.93, 3.28 A)
&rst
ixpk= 552, nxpk= 9, iat= 419, 352, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 9-2:553 0 AMB 9-1:553 4.20 (# 553:9 Double Ambig)
&rst
ixpk= 553, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 46, 567,
igr2= 48, 562, 563,
&end
#
# 16 GLU HN 0 AMB 9-1:554 4.20 (# 554:9 Single Ambig)
&rst
ixpk= 554, nxpk= 9, iat= 216, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 218, 203,
&end
#
# 35 GLY HN 35 GLY HA- 4.50 (# 555:9 Unique 2.25, 2.59 A)
&rst
ixpk= 555, nxpk= 9, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 562, 563,
&end
#
# 0 AMB 9-2:556 0 AMB 9-1:556 4.20 (# 556:9 Double Ambig)
&rst
ixpk= 556, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 365, 294,
igr2= 339, 340, 339, 340,
&end
#
# 0 AMB 9-2:557 0 AMB 9-1:557 4.50 (# 557:9 Double Ambig)
&rst
ixpk= 557, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 365, 294,
igr2= 354, 355, 220, 221, 220, 221, 339, 340,
&end
#
# 20 LEU HN 20 LEU HB- 3.50 (# 558:9 Unique 1.98, 2.62 A)
&rst
ixpk= 558, nxpk= 9, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 298, 299,
&end
#
# 22 GLU HN 22 GLU HB+ 2.80 (# 559:9 Unique 2.08, 2.53 A)
&rst
ixpk= 559, nxpk= 9, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 339, 340,
&end
#
# 26 LYS HN 29 ILE QD1 5.20 (# 560:9 Unique 5.60, 6.50 A)
&rst
ixpk= 560, nxpk= 9, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 456, 457, 458,
&end
#
# 20 LEU HN 20 LEU MDY 4.50 (# 561:9 Unique 2.05, 4.50 A)
&rst
ixpk= 561, nxpk= 9, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 303, 304, 305, 307, 308, 309,
&end
#
# 29 ILE HN 0 AMB 9-1:562 4.50 (# 562:9 Single Ambig)
&rst
ixpk= 562, nxpk= 9, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 453, 454, 453, 454,
&end
#
# 29 ILE HN 29 ILE QD1 5.20 (# 563:9 Unique 4.28, 4.49 A)
&rst
ixpk= 563, nxpk= 9, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 456, 457, 458,
&end
#
# 26 LYS HN 0 AMB 9-1:564 5.60 (# 564:9 Single Ambig)
&rst
ixpk= 564, nxpk= 9, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr2= 453, 454, 453, 454,
&end
#
# 34 TRP HZ2 32 THR MG2 4.50 (# 565:9 Unique 2.94, 4.00 A)
&rst
ixpk= 565, nxpk= 9, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 508, 509, 510,
&end
#
# 34 TRP HE3 32 THR MG2 4.20 (# 566:9 Unique 3.02, 4.36 A)
&rst
ixpk= 566, nxpk= 9, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 508, 509, 510,
&end
#
# 9 TRP HD1 7 THR MG2 5.20 (# 567:9 Unique 2.64, 3.31 A)
&rst
ixpk= 567, nxpk= 9, iat= 127, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 92, 93, 94,
&end
#
# 9 TRP HD1 0 AMB 9-1:568 4.50 (# 568:9 Single Ambig)
&rst
ixpk= 568, nxpk= 9, iat= 127, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 123, 124, 123, 124,
&end
#
# 9 TRP HE3 0 AMB 9-1:569 3.50 (# 569:9 Single Ambig)
&rst
ixpk= 569, nxpk= 9, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 123, 124, 123, 124,
&end
#
# 0 AMB 9-2:570 31 VAL MGX 4.20 (# 570:9 Single Ambig)
&rst
ixpk= 570, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr1= 323, 324, 323, 324,
igr2= 492, 493, 494, 496, 497, 498,
&end
#
# 31 VAL MGX 0 AMB 9-1:571 4.20 (# 571:9 Single Ambig)
&rst
ixpk= 571, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr1= 492, 493, 494, 496, 497, 498,
igr2= 323, 324, 323, 324,
&end
#
# 10 VAL MGX 10 VAL MGY 2.80 (# 572:9 Unique )
#This appears to be self-referential: ignoring
#
# 0 AMB 9-2:573 0 AMB 9-1:573 2.20 (# 573:9 Double Ambig)
&rst
ixpk= 573, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 357, 358, 342, 343, 36, 37, 36, 37, 223, 224,
igr2= 354, 355, 339, 340, 33, 34, 33, 34, 220, 221,
220, 221,
&end
#
# 4 GLN HG- 4 GLN HG+ 2.20 (# 574:9 Unique)
#This appears to be self-referential: ignoring
#
# 0 AMB 9-2:575 0 AMB 9-1:575 2.20 (# 575:9 Double Ambig)
&rst
ixpk= 575, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 354, 355, 339, 340, 33, 34, 33, 34, 220, 221,
220, 221,
igr2= 357, 358, 342, 343, 36, 37, 36, 37, 223, 224,
&end
#
# 4 GLN HG+ 4 GLN HG- 2.20 (# 576:9 Unique)
#This appears to be self-referential: ignoring
#
# 0 AMB 9-2:577 0 AMB 9-1:577 5.20 (# 577:9 Double Ambig)
&rst
ixpk= 577, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.25, r4= 8.75,
igr1= 69, 70, 69, 70,
igr2= 72, 73, 72, 73,
&end
#
# 0 AMB 9-2:578 0 AMB 9-1:578 5.20 (# 578:9 Double Ambig)
&rst
ixpk= 578, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.91, r4=10.41,
igr1= 472, 473, 472, 473, 72, 73, 72, 73,
igr2= 466, 467, 69, 70, 69, 70,
&end
#
# 7 THR MG2 7 THR HN 5.20 (# 581:9 Unique)
&rst
ixpk= 581, nxpk= 9, iat= -1, 86, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 92, 93, 94,
&end
#
# 31 VAL MGX 24 ALA HN 6.00 (# 583:9 Unique 2.85, 4.50 A)
&rst
ixpk= 583, nxpk= 9, iat= -1, 365, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 492, 493, 494, 496, 497, 498,
&end
#
# 0 AMB 9-2:584 23 GLU HN 5.60 (# 584:9 Single Ambig)
&rst
ixpk= 584, nxpk= 9, iat= -1, 350, r1= 1.30, r2= 1.80, r3= 8.22, r4= 8.72,
igr1= 303, 304, 305, 307, 308, 309, 453, 454, 453, 454,
&end
#
# 31 VAL MGX 33 PHE HZ 6.00 (# 585:9 Unique 1.96, 4.00 A)
&rst
ixpk= 585, nxpk= 9, iat= -1, 528, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 492, 493, 494, 496, 497, 498,
&end
#
# 31 VAL MGX 33 PHE HE 6.00 (# 587:9 Unique 1.95, 4.91 A)
&rst
ixpk= 587, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 492, 493, 494, 496, 497, 498,
igr2= 526, 530,
&end
#
# 5 VAL MGY 6 ARG HN 5.20 (# 588:9 Unique 2.25, 4.20 A)
&rst
ixpk= 588, nxpk= 9, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 52, 53, 54, 56, 57, 58,
&end
#
# 0 AMB 9-2:590 0 AMB 9-1:590 2.20 (# 590:9 Double Ambig)
&rst
ixpk= 590, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 260, 261, 260, 261, 407, 408, 407, 408,
igr2= 257, 258, 404, 405, 279, 280,
&end
#
# 22 GLU HG+ 22 GLU HG- 2.20 (# 591:9 Unique )
#This appears to be self-referential: ignoring
#
# 6 ARG HN 5 VAL MGY 5.20 (# 592:9 Unique 2.25, 4.20 A)
&rst
ixpk= 592, nxpk= 9, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr2= 52, 53, 54, 56, 57, 58,
&end
#
# 0 AMB 9-2:593 0 AMB 9-1:593 5.20 (# 593:9 Double Ambig)
&rst
ixpk= 593, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
igr1= 526, 530, 555,
igr2= 520, 521, 520, 521, 520, 521,
&end
#
# 15 GLU HG- 15 GLU HA 5.20 (# 595:9 Unique 2.28, 3.07 A)
&rst
ixpk= 595, nxpk= 9, iat= -1, 203, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 208, 209,
&end
#
# 29 ILE HA 5 VAL MGY 5.20 (# 597:9 Unique 2.68, 4.33 A)
&rst
ixpk= 597, nxpk= 9, iat= 445, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr2= 52, 53, 54, 56, 57, 58,
&end
#
# 24 ALA HA 29 ILE QD1 5.20 (# 598:9 Unique 2.00, 3.28 A)
&rst
ixpk= 598, nxpk= 9, iat= 367, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 456, 457, 458,
&end
#
# 0 AMB 9-2:599 0 AMB 9-1:599 2.80 (# 599:9 Double Ambig)
&rst
ixpk= 599, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 90, 506,
igr2= 92, 93, 94, 508, 509, 510,
&end
#
# 20 LEU HA 31 VAL MGX 5.20 (# 600:9 Unique 2.92, 4.57 A)
&rst
ixpk= 600, nxpk= 9, iat= 296, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr2= 492, 493, 494, 496, 497, 498,
&end
#
# 19 LYS HA 19 LYS HG- 5.20 (# 601:9 Unique)
&rst
ixpk= 601, nxpk= 9, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 279, 280,
&end
#
# 15 GLU HN 14 PRO HB+ 4.20 (# 602:9 Unique)
&rst
ixpk= 602, nxpk= 9, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 194, 195,
&end
#
# 21 LYS HN 0 AMB 9-1:603 5.20 (# 603:9 Single Ambig)
&rst
ixpk= 603, nxpk= 9, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr2= 323, 324, 323, 324, 301,
&end
#
# 0 AMB 9-2:604 0 AMB 9-1:604 4.20 (# 604:9 Double Ambig)
&rst
ixpk= 604, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 294, 365,
igr2= 301, 323, 324, 323, 324,
&end
#
# 33 PHE HD 10 VAL HB 5.20 (# 605:9 Unique 4.21, 6.19 A)
&rst
ixpk= 605, nxpk= 9, iat= -1, 147, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 524, 532,
&end
#
# 26 LYS HN 25 LYS HG- 5.20 (# 606:9 Unique 2.05, 3.96 A)
&rst
ixpk= 606, nxpk= 9, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 382, 383,
&end
#
# 0 AMB 9-2:607 0 AMB 9-1:607 4.50 (# 607:9 Double Ambig)
&rst
ixpk= 607, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 397, 29,
igr2= 407, 408, 407, 408, 369, 370, 371, 449, 450, 451,
&end
#
# 19 LYS HN 0 AMB 9-1:608 4.50 (# 608:9 Single Ambig)
&rst
ixpk= 608, nxpk= 9, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 279, 280, 257, 258,
&end
#
# 19 LYS HN 0 AMB 9-1:609 5.20 (# 609:9 Single Ambig)
&rst
ixpk= 609, nxpk= 9, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
igr2= 260, 261, 260, 261, 282, 283, 282, 283,
&end
#
# 15 GLU HN 15 GLU HB+ 4.20 (# 610:9 Unique 2.07, 2.80 A)
&rst
ixpk= 610, nxpk= 9, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 205, 206,
&end
#
# 6 ARG HN 5 VAL HB 4.20 (# 611:9 Unique)
&rst
ixpk= 611, nxpk= 9, iat= 62, 50, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 6 ARG HN 0 AMB 9-1:612 4.20 (# 612:9 Single Ambig)
&rst
ixpk= 612, nxpk= 9, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2= 66, 67, 66, 67,
&end
#
# 29 ILE HN 27 ALA MB 5.20 (# 613:9 Unique 2.65, 3.72 A)
&rst
ixpk= 613, nxpk= 9, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 423, 424, 425,
&end
#
# 33 PHE HD 0 AMB 9-1:614 5.20 (# 614:9 Single Ambig)
&rst
ixpk= 614, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
igr1= 524, 532,
igr2= 301, 323, 324, 323, 324,
&end
#
# 33 PHE HE 8 ILE QD1 4.50 (# 615:9 Unique)
&rst
ixpk= 615, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 526, 530,
igr2= 113, 114, 115,
&end
#
# 33 PHE HZ 31 VAL HB 4.50 (# 616:9 Unique 3.22, 3.68 A)
&rst
ixpk= 616, nxpk= 9, iat= 528, 490, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 33 PHE HE 31 VAL HB 5.20 (# 617:9 Unique 1.98, 3.90 A)
&rst
ixpk= 617, nxpk= 9, iat= -1, 490, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 526, 530,
&end
#
# 35 GLY HN 34 TRP HB+ 5.20 (# 618:9 Unique 3.13, 3.82 A)
&rst
ixpk= 618, nxpk= 9, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 540, 541,
&end
#
# 35 GLY HN 34 TRP HB- 5.20 (# 619:9 Unique 3.13, 3.82 A)
&rst
ixpk= 619, nxpk= 9, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 540, 541,
&end
#
# 20 LEU HN 17 LEU HA 5.60 (# 620:9 Unique 3.03, 3.36 A)
&rst
ixpk= 620, nxpk= 9, iat= 294, 233, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 17 LEU HN 15 GLU HB- 5.20 (# 621:9 Unique)
&rst
ixpk= 621, nxpk= 9, iat= 231, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 205, 206,
&end
#
# 34 TRP HN 34 TRP HB+ 5.20 (# 622:9 Unique 2.23, 2.86 A)
&rst
ixpk= 622, nxpk= 9, iat= 536, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 540, 541,
&end
#
# 11 GLY HN 11 GLY HA- 4.20 (# 623:9 Unique 2.25, 2.55 A)
&rst
ixpk= 623, nxpk= 9, iat= 159, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 161, 162,
&end
#
# 22 GLU HN 24 ALA MB 5.20 (# 624:9 Unique)
&rst
ixpk= 624, nxpk= 9, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 369, 370, 371,
&end
#
# 15 GLU HN 15 GLU HG+ 4.20 (# 625:9 Unique 1.93, 3.55 A)
&rst
ixpk= 625, nxpk= 9, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 208, 209,
&end
#
# 4 GLN HN 4 GLN HG+ 5.20 (# 626:9 Unique 1.98, 4.03 A)
&rst
ixpk= 626, nxpk= 9, iat= 29, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 36, 37,
&end
#
# 0 AMB 9-2:627 34 TRP HB- 5.20 (# 627:9 Single Ambig)
&rst
ixpk= 627, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 555, 544,
igr2= 540, 541,
&end
#
# 6 ARG HE 0 AMB 9-1:628 4.50 (# 628:9 Single Ambig)
&rst
ixpk= 628, nxpk= 9, iat= 75, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 72, 73, 72, 73,
&end
#
# 34 TRP HN 32 THR MG2 6.00 (# 629:9 Unique 4.26, 5.60 A)
&rst
ixpk= 629, nxpk= 9, iat= 536, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 508, 509, 510,
&end
#
# 35 GLY HA+ 35 GLY HA- 2.20 (# 632:9 Unique)
#This appears to be self-referential: ignoring
#
# 28 ASN HB+ 28 ASN HA 4.50 (# 633:9 Unique 2.42, 2.82 A)
&rst
ixpk= 633, nxpk= 9, iat= -1, 431, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 433, 434,
&end
#
# 28 ASN HB- 28 ASN HA 5.20 (# 634:9 Unique 2.42, 2.82 A)
&rst
ixpk= 634, nxpk= 9, iat= -1, 431, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 433, 434,
&end
#
# 34 TRP HB- 36 ASP HA 5.20 (# 635:9 Unique 3.45, 4.17 A)
&rst
ixpk= 635, nxpk= 9, iat= -1, 569, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 540, 541,
&end
#
# 27 ALA MB 27 ALA HA 4.50 (# 636:9 Unique 2.26, 2.66 A)
&rst
ixpk= 636, nxpk= 9, iat= -1, 421, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 423, 424, 425,
&end
#
# 0 AMB 9-2:637 25 LYS HA 5.20 (# 637:9 Single Ambig)
&rst
ixpk= 637, nxpk= 9, iat= -1, 377, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 379, 380, 379, 380,
&end
#
# 7 THR MG2 7 THR HA 5.20 (# 638:9 Unique 2.52, 3.29 A)
&rst
ixpk= 638, nxpk= 9, iat= -1, 88, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 92, 93, 94,
&end
#
# 17 LEU HB+ 17 LEU HA 4.20 (# 639:9 Unique 2.43, 2.81 A)
&rst
ixpk= 639, nxpk= 9, iat= -1, 233, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 235, 236,
&end
#
# 17 LEU HB+ 17 LEU MDX 5.20 (# 640:9 Unique 2.03, 3.31 A)
&rst
ixpk= 640, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
igr1= 235, 236,
igr2= 240, 241, 242, 244, 245, 246,
&end
#
# 17 LEU MDX 17 LEU HB+ 5.20 (# 641:9 Unique 2.03, 3.31 A)
&rst
ixpk= 641, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
igr1= 240, 241, 242, 244, 245, 246,
igr2= 235, 236,
&end
#
# 20 LEU HG 20 LEU MDX 3.50 (# 642:9 Unique 2.22, 2.64 A)
&rst
ixpk= 642, nxpk= 9, iat= 301, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 303, 304, 305, 307, 308, 309,
&end
#
# 20 LEU HG 10 VAL MGX 4.20 (# 643:9 Unique 2.39, 4.41 A)
&rst
ixpk= 643, nxpk= 9, iat= 301, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 149, 150, 151, 153, 154, 155,
&end
#
# 20 LEU MDY 20 LEU HG 2.20 (# 644:9 Unique 2.22, 2.64 A)
&rst
ixpk= 644, nxpk= 9, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr1= 303, 304, 305, 307, 308, 309,
&end
#
# 31 VAL MGY 0 AMB 9-1:645 3.50 (# 645:9 Single Ambig)
&rst
ixpk= 645, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 492, 493, 494, 496, 497, 498,
igr2= 323, 324, 323, 324,
&end
#
# 10 VAL MGX 20 LEU HG 3.50 (# 646:9 Unique 2.39, 4.41 A)
&rst
ixpk= 646, nxpk= 9, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 149, 150, 151, 153, 154, 155,
&end
#
# 5 VAL MGY 29 ILE QG2 3.50 (# 647:9 Unique 3.49, 5.88 A)
&rst
ixpk= 647, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 52, 53, 54, 56, 57, 58,
igr2= 449, 450, 451,
&end
#
# 29 ILE QD1 29 ILE QG2 3.50 (# 648:9 Unique 3.05, 4.41 A)
&rst
ixpk= 648, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 456, 457, 458,
igr2= 449, 450, 451,
&end
#
# 0 AMB 9-2:649 8 ILE QD1 4.50 (# 649:9 Single Ambig)
&rst
ixpk= 649, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 520, 521, 520, 521,
igr2= 113, 114, 115,
&end
#
# 0 AMB 9-2:652 0 AMB 9-1:652 5.20 (# 652:9 Double Ambig)
&rst
ixpk= 652, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.62, r4=10.12,
igr1= 223, 224, 357, 358,
igr2= 303, 304, 305, 307, 308, 309, 453, 454, 453, 454,
&end
#
# 0 AMB 9-2:653 23 GLU HG- 5.20 (# 653:9 Single Ambig)
&rst
ixpk= 653, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
igr1= 453, 454, 453, 454,
igr2= 357, 358,
&end
#
# 20 LEU MDY 0 AMB 9-1:654 4.20 (# 654:9 Single Ambig)
&rst
ixpk= 654, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr1= 303, 304, 305, 307, 308, 309,
igr2= 110, 111, 110, 111,
&end
#
# 0 AMB 9-2:655 0 AMB 9-1:655 5.20 (# 655:9 Double Ambig)
&rst
ixpk= 655, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.91, r4=10.41,
igr1= 285, 286, 285, 286, 263, 264, 263, 264,
igr2= 279, 280, 279, 280, 257, 258,
&end
#
# 0 AMB 9-2:656 0 AMB 9-1:656 5.20 (# 656:9 Double Ambig)
&rst
ixpk= 656, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.91, r4=10.41,
igr1= 285, 286, 285, 286, 520, 521,
igr2= 279, 280, 240, 241, 242, 244, 245, 246,
&end
#
# 0 AMB 9-2:657 0 AMB 9-1:657 5.20 (# 657:9 Double Ambig)
&rst
ixpk= 657, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.91, r4=10.41,
igr1= 279, 280, 240, 241, 242, 244, 245, 246,
igr2= 285, 286, 285, 286, 520, 521,
&end
#
# 0 AMB 9-2:658 0 AMB 9-1:658 4.20 (# 658:9 Double Ambig)
&rst
ixpk= 658, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.01, r4= 8.51,
igr1= 279, 280, 279, 280, 257, 258,
igr2= 285, 286, 285, 286, 263, 264, 263, 264,
&end
#
# 28 ASN HB- 29 ILE HB 6.00 (# 659:9 Unique 5.66, 6.47 A)
&rst
ixpk= 659, nxpk= 9, iat= -1, 447, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 433, 434,
&end
#
# 7 THR HN 7 THR MG2 5.20 (# 660:9 Unique)
&rst
ixpk= 660, nxpk= 9, iat= 86, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 92, 93, 94,
&end
#
# 23 GLU HG- 27 ALA MB 5.20 (# 663:9 Unique 2.05, 5.98 A)
&rst
ixpk= 663, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 357, 358,
igr2= 423, 424, 425,
&end
#
# 27 ALA MB 23 GLU HG- 5.20 (# 664:9 Unique 2.05, 5.98 A)
&rst
ixpk= 664, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 423, 424, 425,
igr2= 357, 358,
&end
#
# 0 AMB 9-2:665 31 VAL MGX 5.60 (# 665:9 Single Ambig)
&rst
ixpk= 665, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.51, r4=10.01,
igr1= 110, 111, 110, 111,
igr2= 492, 493, 494, 496, 497, 498,
&end
#
# 0 AMB 9-2:666 20 LEU MDX 5.60 (# 666:9 Single Ambig)
&rst
ixpk= 666, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.51, r4=10.01,
igr1= 110, 111, 110, 111,
igr2= 303, 304, 305, 307, 308, 309,
&end
#
# 31 VAL MGX 0 AMB 9-1:667 5.60 (# 667:9 Single Ambig)
&rst
ixpk= 667, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.51, r4=10.01,
igr1= 492, 493, 494, 496, 497, 498,
igr2= 110, 111, 110, 111,
&end
#
# 20 LEU MDX 0 AMB 9-1:668 5.60 (# 668:9 Single Ambig)
&rst
ixpk= 668, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.51, r4=10.01,
igr1= 303, 304, 305, 307, 308, 309,
igr2= 110, 111, 110, 111,
&end
#
# 22 GLU HG- 22 GLU HG+ 2.20 (# 669:9 Unique)
#This appears to be self-referential: ignoring
#
# 17 LEU HG 17 LEU MDX 5.20 (# 670:9 Unique)
&rst
ixpk= 670, nxpk= 9, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr2= 240, 241, 242, 244, 245, 246,
&end
#
# 29 ILE QD1 0 AMB 9-1:671 2.20 (# 671:9 Single Ambig)
&rst
ixpk= 671, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr1= 456, 457, 458,
igr2= 453, 454, 453, 454,
&end
#
# 0 AMB 9-2:672 29 ILE QD1 2.20 (# 672:9 Single Ambig)
&rst
ixpk= 672, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr1= 453, 454, 453, 454,
igr2= 456, 457, 458,
&end
#
# 8 ILE QG2 5 VAL MGY 6.00 (# 673:9 Unique)
&rst
ixpk= 673, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 106, 107, 108,
igr2= 52, 53, 54, 56, 57, 58,
&end
#
# 5 VAL MGY 8 ILE QG2 6.00 (# 674:9 Unique)
&rst
ixpk= 674, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 52, 53, 54, 56, 57, 58,
igr2= 106, 107, 108,
&end
#
# 31 VAL MGY 24 ALA MB 3.50 (# 675:9 Unique 1.97, 3.90 A)
&rst
ixpk= 675, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 492, 493, 494, 496, 497, 498,
igr2= 369, 370, 371,
&end
#
# 20 LEU MDY 20 LEU HB+ 3.50 (# 676:9 Unique)
&rst
ixpk= 676, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 303, 304, 305, 307, 308, 309,
igr2= 298, 299,
&end
#
# 20 LEU HB+ 20 LEU MDY 3.50 (# 677:9 Unique)
&rst
ixpk= 677, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 298, 299,
igr2= 303, 304, 305, 307, 308, 309,
&end
#
# 23 GLU HG+ 23 GLU HG- 2.20 (# 678:9 Unique)
#This appears to be self-referential: ignoring
#
# 23 GLU HG- 23 GLU HG+ 2.20 (# 679:9 Unique)
#This appears to be self-referential: ignoring
#
# 29 ILE QG2 5 VAL MGY 3.50 (# 680:9 Unique)
&rst
ixpk= 680, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 449, 450, 451,
igr2= 52, 53, 54, 56, 57, 58,
&end
#
# 0 AMB 9-2:681 0 AMB 9-1:681 4.20 (# 681:9 Double Ambig)
&rst
ixpk= 681, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
igr1= 220, 221, 220, 221, 379, 380, 379, 380,
igr2= 298, 299, 298, 299, 382, 383, 382, 383,
&end
#
# 0 AMB 9-2:682 0 AMB 9-1:682 3.50 (# 682:9 Double Ambig)
&rst
ixpk= 682, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 382, 383, 382, 383, 320, 321,
igr2= 379, 380, 379, 380,
&end
#
# 17 LEU HN 17 LEU HB+ 5.20 (# 683:9 Unique 2.15, 2.89 A)
&rst
ixpk= 683, nxpk= 9, iat= 231, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 235, 236,
&end
#
# 31 VAL HN 30 ARG HA 2.20 (# 684:9 Unique 2.23, 2.23 A)
&rst
ixpk= 684, nxpk= 9, iat= 486, 464, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 0 AMB 9-2:685 22 GLU HA 4.50 (# 685:9 Single Ambig)
&rst
ixpk= 685, nxpk= 9, iat= -1, 337, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 401, 402, 401, 402,
&end
#
# 32 THR HB 0 AMB 9-1:686 5.20 (# 686:9 Double Ambig)
&rst
ixpk= 686, nxpk= 9, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2= 110, 111, 110, 111,
&end
#
# 0 AMB 9-2:687 32 THR HB 5.20 (# 687:9 Double Ambig)
&rst
ixpk= 687, nxpk= 9, iat= -1, 506, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 110, 111, 110, 111,
&end
#
# 31 VAL MGX 20 LEU HA 5.20 (# 688:9 Unique 2.92, 4.57 A)
&rst
ixpk= 688, nxpk= 9, iat= -1, 296, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 492, 493, 494, 496, 497, 498,
&end
#
# 5 VAL HB 5 VAL HA 4.20 (# 689:9 Unique 2.41, 2.78 A)
&rst
ixpk= 689, nxpk= 9, iat= 50, 48, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 8 ILE QG2 7 THR HB 5.20 (# 690:9 Unique 5.16, 6.11 A)
&rst
ixpk= 690, nxpk= 9, iat= -1, 90, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 106, 107, 108,
&end
#
# 7 THR HB 8 ILE QG2 5.20 (# 691:9 Unique 5.16, 6.11 A)
&rst
ixpk= 691, nxpk= 9, iat= 90, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 106, 107, 108,
&end
#
# 31 VAL HB 0 AMB 9-1:692 3.50 (# 692:9 Double Ambig)
&rst
ixpk= 692, nxpk= 9, iat= 490, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 110, 111, 110, 111,
&end
#
# 5 VAL HN 5 VAL MGX 4.20 (# 693:9 Unique 1.95, 4.00 A)
&rst
ixpk= 693, nxpk= 9, iat= 46, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 52, 53, 54, 56, 57, 58,
&end
#
# 9 TRP HN 8 ILE QD1 4.50 (# 694:9 Unique)
&rst
ixpk= 694, nxpk= 9, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 113, 114, 115,
&end
#
# 19 LYS HN 20 LEU HG 5.60 (# 695:9 Unique 5.67, 5.99 A)
&rst
ixpk= 695, nxpk= 9, iat= 272, 301, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 0 AMB 9-2:696 0 AMB 9-1:696 5.20 (# 696:9 Double Ambig)
&rst
ixpk= 696, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
igr1= 75, 553,
igr2= 456, 457, 458, 508, 509, 510,
&end
#
# 33 PHE HD 31 VAL MGY 5.20 (# 697:9 Unique 4.13, 6.58 A)
&rst
ixpk= 697, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
igr1= 524, 532,
igr2= 492, 493, 494, 496, 497, 498,
&end
#
# 10 VAL MGY 33 PHE HZ 5.20 (# 698:9 Unique)
&rst
ixpk= 698, nxpk= 9, iat= -1, 528, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 149, 150, 151, 153, 154, 155,
&end
#
# 29 ILE HN 5 VAL MGY 5.20 (# 699:9 Unique 4.17, 6.55 A)
&rst
ixpk= 699, nxpk= 9, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr2= 52, 53, 54, 56, 57, 58,
&end
#
# 17 LEU HN 20 LEU HG 5.60 (# 700:9 Unique 3.91, 4.60 A)
&rst
ixpk= 700, nxpk= 9, iat= 231, 301, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 27 ALA HN 0 AMB 9-1:701 5.60 (# 701:9 Double Ambig)
&rst
ixpk= 701, nxpk= 9, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr2= 453, 454, 453, 454,
&end
#
# 30 ARG HN 0 AMB 9-1:702 5.20 (# 702:9 Single Ambig)
&rst
ixpk= 702, nxpk= 9, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2= 453, 454, 453, 454,
&end
#
# 0 AMB 9-2:703 0 AMB 9-1:703 5.20 (# 703:9 Double Ambig)
&rst
ixpk= 703, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
igr1= 159, 536,
igr2= 179, 180, 181, 113, 114, 115,
&end
#
# 23 GLU HN 0 AMB 9-1:705 5.60 (# 705:9 Single Ambig)
&rst
ixpk= 705, nxpk= 9, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 274, 296,
&end
#
# 32 THR HA 32 THR HB 5.20 (# 706:9 Unique 3.05, 3.06 A)
&rst
ixpk= 706, nxpk= 9, iat= 504, 506, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 0 AMB 9-2:707 27 ALA MB 4.20 (# 707:9 Single Ambig)
&rst
ixpk= 707, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 367, 399,
igr2= 423, 424, 425,
&end
#
# 8 ILE QG2 10 VAL MGX 4.50 (# 708:9 Unique 5.11, 6.78 A)
&rst
ixpk= 708, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 106, 107, 108,
igr2= 149, 150, 151, 153, 154, 155,
&end
#
# 10 VAL MGX 8 ILE QG2 4.50 (# 709:9 Unique 5.11, 6.78 A)
&rst
ixpk= 709, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 149, 150, 151, 153, 154, 155,
igr2= 106, 107, 108,
&end
#
# 34 TRP HH2 32 THR HB 5.20 (# 710:9 Unique 2.70, 2.99 A)
&rst
ixpk= 710, nxpk= 9, iat= 551, 506, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 25 LYS HN 25 LYS HA 5.20 (# 711:9 Unique 2.80, 2.85 A)
&rst
ixpk= 711, nxpk= 9, iat= 375, 377, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 7 THR HN 7 THR HB 4.50 (# 713:9 Unique 2.13, 2.24 A)
&rst
ixpk= 713, nxpk= 9, iat= 86, 90, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 LYS HN 20 LEU HA 5.20 (# 714:9 Unique 3.61, 3.63 A)
&rst
ixpk= 714, nxpk= 9, iat= 313, 296, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 20 LEU HN 20 LEU HA 5.20 (# 715:9 Unique 2.66, 2.70 A)
&rst
ixpk= 715, nxpk= 9, iat= 294, 296, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 0 AMB 9-2:716 0 AMB 9-1:716 4.50 (# 716:9 Double Ambig)
&rst
ixpk= 716, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 419, 272,
igr2= 401, 402, 401, 402, 254, 255, 254, 255, 276, 277,
&end
#
# 25 LYS HN 23 GLU HA 5.20 (# 717:9 Unique)
&rst
ixpk= 717, nxpk= 9, iat= 375, 352, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 28 ASN HN 28 ASN HB+ 5.20 (# 718:9 Unique 2.85, 3.44 A)
&rst
ixpk= 718, nxpk= 9, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 433, 434,
&end
#
# 32 THR HA 33 PHE HD 5.60 (# 719:9 Unique)
&rst
ixpk= 719, nxpk= 9, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 524, 532,
&end
#
# 6 ARG HG+ 7 THR HN 4.50 (# 720:9 Unique 2.43, 4.46 A)
&rst
ixpk= 720, nxpk= 9, iat= -1, 86, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 69, 70,
&end
#
# 0 AMB 9-2:721 19 LYS HN 5.20 (# 721:9 Single Ambig)
&rst
ixpk= 721, nxpk= 9, iat= -1, 272, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 282, 283, 282, 283,
&end
#
# 32 THR HB 34 TRP HE3 5.60 (# 723:9 Unique 3.39, 3.63 A)
&rst
ixpk= 723, nxpk= 9, iat= 506, 555, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 0 AMB 9-2:724 19 LYS HN 4.20 (# 724:9 Single Ambig)
&rst
ixpk= 724, nxpk= 9, iat= -1, 272, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 276, 277, 276, 277,
&end
#
# 7 THR HB 8 ILE HN 5.60 (# 725:9 Unique 4.19, 4.34 A)
&rst
ixpk= 725, nxpk= 9, iat= 90, 100, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 0 AMB 9-2:726 0 AMB 9-1:726 4.50 (# 726:9 Double Ambig)
&rst
ixpk= 726, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 401, 402, 401, 402, 254, 255, 254, 255, 276, 277,
igr2= 419, 272,
&end
#
# 28 ASN HB- 28 ASN HD2- 5.20 (# 727:9 Unique 2.10, 3.18 A)
&rst
ixpk= 727, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 433, 434,
igr2= 438, 439,
&end
#
# 28 ASN HD2+ 28 ASN HB+ 5.60 (# 728:9 Unique 2.10, 3.18 A)
&rst
ixpk= 728, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 438, 439,
igr2= 433, 434,
&end
#
# 33 PHE HD 17 LEU MDX 5.20 (# 729:9 Unique 2.35, 4.68 A)
&rst
ixpk= 729, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
igr1= 524, 532,
igr2= 240, 241, 242, 244, 245, 246,
&end
#
# 0 AMB 9-2:730 0 AMB 9-1:730 5.20 (# 730:9 Double Ambig)
&rst
ixpk= 730, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
igr1= 555, 544,
igr2= 540, 541, 540, 541,
&end
#
# 34 TRP HZ3 34 TRP HB+ 5.20 (# 731:9 Unique 4.84, 5.58 A)
&rst
ixpk= 731, nxpk= 9, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 540, 541,
&end
#
# 28 ASN HN 28 ASN HB- 4.50 (# 732:9 Unique 2.85, 3.44 A)
&rst
ixpk= 732, nxpk= 9, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 433, 434,
&end
#
# 10 VAL HA 10 VAL MGX 4.50 (# 733:9 Unique 2.45, 3.45 A)
&rst
ixpk= 733, nxpk= 9, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 149, 150, 151, 153, 154, 155,
&end
#
# 19 LYS HN 0 AMB 9-1:734 4.50 (# 734:9 Single Ambig)
&rst
ixpk= 734, nxpk= 9, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 276, 277, 276, 277,
&end
#
# 0 AMB 9-2:735 0 AMB 9-1:735 4.20 (# 735:9 Double Ambig)
&rst
ixpk= 735, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 201, 119,
igr2= 205, 206, 123, 124, 123, 124,
&end
#
# 9 TRP HN 0 AMB 9-1:736 4.20 (# 736:9 Single Ambig)
&rst
ixpk= 736, nxpk= 9, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2= 110, 111, 110, 111,
&end
#
# 4 GLN HN 4 GLN HG- 5.20 (# 737:9 Unique 1.98, 4.03 A)
&rst
ixpk= 737, nxpk= 9, iat= 29, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 36, 37,
&end
#
# 16 GLU HN 16 GLU HG+ 3.50 (# 738:9 Unique 1.89, 2.97 A)
&rst
ixpk= 738, nxpk= 9, iat= 216, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 223, 224,
&end
#
# 22 GLU HN 0 AMB 9-1:739 4.50 (# 739:9 Single Ambig)
&rst
ixpk= 739, nxpk= 9, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 317, 318, 317, 318,
&end
#
# 22 GLU HN 22 GLU HG- 4.20 (# 740:9 Unique)
&rst
ixpk= 740, nxpk= 9, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 342, 343,
&end
#
# 17 LEU HA 17 LEU HB- 5.60 (# 741:9 Unique 2.43, 2.81 A)
&rst
ixpk= 741, nxpk= 9, iat= 233, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 235, 236,
&end
#
# 17 LEU HB- 17 LEU HA 5.20 (# 742:9 Unique 2.43, 2.81 A)
&rst
ixpk= 742, nxpk= 9, iat= -1, 233, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 235, 236,
&end
#
# 32 THR HN 8 ILE QD1 4.50 (# 743:9 Unique 2.21, 3.82 A)
&rst
ixpk= 743, nxpk= 9, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 113, 114, 115,
&end
#
# 20 LEU MDY 20 LEU HA 5.20 (# 744:9 Unique 1.98, 3.06 A)
&rst
ixpk= 744, nxpk= 9, iat= -1, 296, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 303, 304, 305, 307, 308, 309,
&end
#
# 31 VAL MGX 20 LEU HB+ 5.20 (# 745:9 Unique 2.62, 5.31 A)
&rst
ixpk= 745, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
igr1= 492, 493, 494, 496, 497, 498,
igr2= 298, 299,
&end
#
# 20 LEU HB+ 31 VAL MGX 5.20 (# 746:9 Unique 2.62, 5.31 A)
&rst
ixpk= 746, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
igr1= 298, 299,
igr2= 492, 493, 494, 496, 497, 498,
&end
#
# 5 VAL HA 5 VAL HB 4.50 (# 747:9 Unique 2.41, 2.78 A)
&rst
ixpk= 747, nxpk= 9, iat= 48, 50, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 LYS HA 0 AMB 9-1:748 4.50 (# 748:9 Single Ambig)
&rst
ixpk= 748, nxpk= 9, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 317, 318, 317, 318,
&end
#
# 0 AMB 9-2:749 21 LYS HA 5.20 (# 749:9 Single Ambig)
&rst
ixpk= 749, nxpk= 9, iat= -1, 315, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 317, 318, 317, 318,
&end
#
# 10 VAL MGY 8 ILE QG2 6.00 (# 750:9 Unique)
&rst
ixpk= 750, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 149, 150, 151, 153, 154, 155,
igr2= 106, 107, 108,
&end
#
# 34 TRP HN 33 PHE HA 5.20 (# 751:9 Unique 2.19, 2.20 A)
&rst
ixpk= 751, nxpk= 9, iat= 536, 518, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 11 GLY HN 11 GLY HA+ 5.20 (# 752:9 Unique 2.25, 2.55 A)
&rst
ixpk= 752, nxpk= 9, iat= 159, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 161, 162,
&end
#
# 0 AMB 9-2:753 8 ILE HN 5.60 (# 753:9 Single Ambig)
&rst
ixpk= 753, nxpk= 9, iat= -1, 100, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 119, 86,
&end
#
# 9 TRP HN 0 AMB 9-1:754 6.00 (# 754:9 Single Ambig)
&rst
ixpk= 754, nxpk= 9, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 159, 536,
&end
#
# 8 ILE HN 0 AMB 9-1:755 5.60 (# 755:9 Single Ambig)
&rst
ixpk= 755, nxpk= 9, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 119, 86,
&end
#
# 0 AMB 9-2:756 9 TRP HN 6.00 (# 756:9 Single Ambig)
&rst
ixpk= 756, nxpk= 9, iat= -1, 119, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 159, 536,
&end
#
# 9 TRP HD1 9 TRP HN 5.60 (# 757:9 Unique 3.85, 4.08 A)
&rst
ixpk= 757, nxpk= 9, iat= 127, 119, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 34 TRP HD1 35 GLY HN 5.60 (# 758:9 Unique 3.56, 3.81 A)
&rst
ixpk= 758, nxpk= 9, iat= 544, 560, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 10 VAL HN 9 TRP HN 5.20 (# 759:9 Unique 3.92, 4.00 A)
&rst
ixpk= 759, nxpk= 9, iat= 143, 119, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 24 ALA HN 31 VAL MGX 6.00 (# 761:9 Unique 2.85, 4.50 A)
&rst
ixpk= 761, nxpk= 9, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 492, 493, 494, 496, 497, 498,
&end
#
# 24 ALA HN 22 GLU HA 5.20 (# 762:9 Unique 3.71, 3.81 A)
&rst
ixpk= 762, nxpk= 9, iat= 365, 337, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 29 ILE HN 28 ASN HA 5.20 (# 763:9 Unique 3.55, 3.60 A)
&rst
ixpk= 763, nxpk= 9, iat= 443, 431, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 29 ILE HN 29 ILE HA 5.20 (# 764:9 Unique 2.64, 2.66 A)
&rst
ixpk= 764, nxpk= 9, iat= 443, 445, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 0 AMB 9-2:765 0 AMB 9-1:765 4.50 (# 765:9 Double Ambig)
&rst
ixpk= 765, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 335, 173,
igr2= 337, 177,
&end
#
# 6 ARG HA 0 AMB 9-1:766 5.20 (# 766:9 Single Ambig)
&rst
ixpk= 766, nxpk= 9, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2= 66, 67, 66, 67,
&end
#
# 6 ARG HA 6 ARG HG- 5.20 (# 767:9 Unique 2.01, 3.55 A)
&rst
ixpk= 767, nxpk= 9, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 69, 70,
&end
#
# 25 LYS HA 25 LYS HG- 5.20 (# 768:9 Unique 2.16, 3.38 A)
&rst
ixpk= 768, nxpk= 9, iat= 377, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 382, 383,
&end
#
# 25 LYS HA 25 LYS HG+ 5.60 (# 769:9 Unique 2.16, 3.38 A)
&rst
ixpk= 769, nxpk= 9, iat= 377, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 382, 383,
&end
#
# 0 AMB 9-2:770 0 AMB 9-1:770 2.80 (# 770:9 Double Ambig)
&rst
ixpk= 770, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 72, 73, 72, 73, 472, 473, 472, 473,
igr2= 69, 70, 469, 470, 469, 470,
&end
#
# 21 LYS HA 0 AMB 9-1:771 4.20 (# 771:9 Single Ambig)
&rst
ixpk= 771, nxpk= 9, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2= 320, 321, 320, 321,
&end
#
# 20 LEU HG 19 LYS HN 5.60 (# 773:9 Unique 5.67, 5.99 A)
&rst
ixpk= 773, nxpk= 9, iat= 301, 272, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 27 ALA MB 28 ASN HN 4.20 (# 774:9 Unique 1.95, 3.16 A)
&rst
ixpk= 774, nxpk= 9, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 423, 424, 425,
&end
#
# 0 AMB 9-2:775 20 LEU MDX 4.50 (# 775:9 Single Ambig)
&rst
ixpk= 775, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 490, 298, 299,
igr2= 303, 304, 305, 307, 308, 309,
&end
#
# 8 ILE QD1 8 ILE HB 2.20 (# 777:9 Unique 2.10, 2.82 A)
&rst
ixpk= 777, nxpk= 9, iat= -1, 104, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr1= 113, 114, 115,
&end
#
# 27 ALA MB 29 ILE QD1 5.20 (# 778:9 Unique 2.76, 5.47 A)
&rst
ixpk= 778, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr1= 423, 424, 425,
igr2= 456, 457, 458,
&end
#
# 0 AMB 9-2:780 17 LEU HB- 5.20 (# 780:9 Single Ambig)
&rst
ixpk= 780, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
igr1= 238, 320, 321, 320, 321,
igr2= 235, 236,
&end
#
# 0 AMB 9-2:781 0 AMB 9-1:781 4.20 (# 781:9 Double Ambig)
&rst
ixpk= 781, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
igr1= 285, 286, 285, 286, 285, 286,
igr2= 282, 283, 282, 283, 282, 283,
&end
#
# 9 TRP HH2 9 TRP HZ3 4.20 (# 782:9 Unique 2.44, 2.44 A)
&rst
ixpk= 782, nxpk= 9, iat= 134, 136, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 9 TRP HZ3 9 TRP HH2 4.20 (# 783:9 Unique 2.44, 2.44 A)
&rst
ixpk= 783, nxpk= 9, iat= 136, 134, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 9 TRP HZ3 34 TRP HD1 4.20 (# 784:9 Unique)
&rst
ixpk= 784, nxpk= 9, iat= 136, 544, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 34 TRP HD1 9 TRP HZ3 4.20 (# 785:9 Unique)
&rst
ixpk= 785, nxpk= 9, iat= 544, 136, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 34 TRP HZ3 34 TRP HE3 5.20 (# 786:9 Unique 2.49, 2.49 A)
&rst
ixpk= 786, nxpk= 9, iat= 553, 555, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 17 LEU MDY 33 PHE HE 5.60 (# 787:9 Unique 2.07, 4.84 A)
&rst
ixpk= 787, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
igr1= 240, 241, 242, 244, 245, 246,
igr2= 526, 530,
&end
#
# 13 THR HB 16 GLU HN 4.50 (# 789:9 Unique 3.28, 3.78 A)
&rst
ixpk= 789, nxpk= 9, iat= 177, 216, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 LYS HN 21 LYS HA 4.50 (# 790:9 Unique 2.70, 2.75 A)
&rst
ixpk= 790, nxpk= 9, iat= 313, 315, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 ASN HB+ 29 ILE HN 5.20 (# 791:9 Unique 2.37, 3.20 A)
&rst
ixpk= 791, nxpk= 9, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 433, 434,
&end
#
# 0 AMB 9-2:792 0 AMB 9-1:792 5.20 (# 792:9 Double Ambig)
&rst
ixpk= 792, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
igr1= 223, 224, 357, 358,
igr2= 294, 365,
&end
#
# 25 LYS HG- 26 LYS HN 5.20 (# 793:9 Unique 2.05, 3.96 A)
&rst
ixpk= 793, nxpk= 9, iat= -1, 397, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 382, 383,
&end
#
# 18 LYS HN 16 GLU HG+ 5.20 (# 794:9 Unique 4.36, 4.87 A)
&rst
ixpk= 794, nxpk= 9, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 223, 224,
&end
#
# 33 PHE HE 17 LEU HG 5.20 (# 795:9 Unique 3.20, 5.22 A)
&rst
ixpk= 795, nxpk= 9, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 526, 530,
&end
#
# 9 TRP HZ3 11 GLY HA- 5.20 (# 797:9 Unique 3.84, 4.96 A)
&rst
ixpk= 797, nxpk= 9, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 161, 162,
&end
#
# 33 PHE HD 17 LEU HA 5.60 (# 798:9 Unique 4.81, 5.87 A)
&rst
ixpk= 798, nxpk= 9, iat= -1, 233, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 524, 532,
&end
#
# 4 GLN HA 5 VAL MGY 5.60 (# 799:9 Unique 3.36, 5.97 A)
&rst
ixpk= 799, nxpk= 9, iat= 31, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr2= 52, 53, 54, 56, 57, 58,
&end
#
# 13 THR HA 13 THR MG2 5.20 (# 800:9 Unique 2.02, 2.93 A)
&rst
ixpk= 800, nxpk= 9, iat= 175, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 179, 180, 181,
&end
#
# 13 THR HB 20 LEU MDX 6.00 (# 801:9 Unique 4.77, 6.46 A)
&rst
ixpk= 801, nxpk= 9, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 303, 304, 305, 307, 308, 309,
&end
#
# 0 AMB 9-2:802 20 LEU MDY 5.60 (# 802:9 Single Ambig)
&rst
ixpk= 802, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.51, r4=10.01,
igr1= 72, 73, 72, 73,
igr2= 303, 304, 305, 307, 308, 309,
&end
#
# 0 AMB 9-2:803 0 AMB 9-1:803 3.50 (# 803:9 Double Ambig)
&rst
ixpk= 803, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 407, 408, 407, 408, 260, 261, 260, 261, 407, 408,
igr2= 399, 252, 352, 203,
&end
#
# 24 ALA MB 24 ALA HA 4.20 (# 804:9 Unique 2.24, 2.66 A)
&rst
ixpk= 804, nxpk= 9, iat= -1, 367, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 369, 370, 371,
&end
#
# 0 AMB 9-2:805 0 AMB 9-1:805 2.20 (# 805:9 Double Ambig)
&rst
ixpk= 805, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1= 401, 402, 401, 402, 254, 255, 254, 255, 401, 402,
igr2= 352, 252, 399,
&end
#
# 0 AMB 9-2:806 0 AMB 9-1:806 3.50 (# 806:9 Double Ambig)
&rst
ixpk= 806, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 69, 70, 469, 470, 469, 470,
igr2= 72, 73, 72, 73, 472, 473, 472, 473,
&end
#
# 0 AMB 9-2:808 0 AMB 9-1:808 4.20 (# 808:9 Double Ambig)
&rst
ixpk= 808, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
igr1= 282, 283, 282, 283, 282, 283,
igr2= 285, 286, 285, 286, 285, 286,
&end
#
# 29 ILE QD1 24 ALA HA 4.50 (# 809:9 Unique 2.00, 3.28 A)
&rst
ixpk= 809, nxpk= 9, iat= -1, 367, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 456, 457, 458,
&end
#
# 27 ALA HA 28 ASN HN 4.20 (# 810:9 Unique 2.21, 3.51 A)
&rst
ixpk= 810, nxpk= 9, iat= 421, 429, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 35 GLY HA+ 35 GLY HN 4.50 (# 811:9 Unique 2.25, 2.59 A)
&rst
ixpk= 811, nxpk= 9, iat= -1, 560, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 562, 563,
&end
#
# 31 VAL MGY 32 THR HN 5.20 (# 813:9 Unique 4.11, 5.05 A)
&rst
ixpk= 813, nxpk= 9, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 492, 493, 494, 496, 497, 498,
&end
#
# 31 VAL MGX 20 LEU MDX 3.50 (# 814:9 Unique 1.98, 4.64 A)
&rst
ixpk= 814, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 492, 493, 494, 496, 497, 498,
igr2= 303, 304, 305, 307, 308, 309,
&end
#
# 20 LEU MDX 31 VAL MGX 3.50 (# 815:9 Unique 1.98, 4.64 A)
&rst
ixpk= 815, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 303, 304, 305, 307, 308, 309,
igr2= 492, 493, 494, 496, 497, 498,
&end
#
# 5 VAL MGX 0 AMB 9-1:816 5.20 (# 816:9 Single Ambig)
&rst
ixpk= 816, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.83, r4= 9.33,
igr1= 52, 53, 54, 56, 57, 58,
igr2= 472, 473, 472, 473,
&end
#
# 30 ARG HE 0 AMB 9-1:819 5.60 (# 819:9 Single Ambig)
&rst
ixpk= 819, nxpk= 9, iat= 475, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr2= 472, 473, 472, 473,
&end
#
# 20 LEU MDY 0 AMB 9-1:820 5.60 (# 820:9 Single Ambig)
&rst
ixpk= 820, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.51, r4=10.01,
igr1= 303, 304, 305, 307, 308, 309,
igr2= 72, 73, 72, 73,
&end
#
# 0 AMB 9-2:821 20 LEU MDY 4.20 (# 821:9 Single Ambig)
&rst
ixpk= 821, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 490, 298, 299,
igr2= 303, 304, 305, 307, 308, 309,
&end
#
# 20 LEU MDY 0 AMB 9-1:822 4.20 (# 822:9 Single Ambig)
&rst
ixpk= 822, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 303, 304, 305, 307, 308, 309,
igr2= 490, 298, 299,
&end
#
# 0 AMB 9-2:823 0 AMB 9-1:823 2.80 (# 823:9 Double Ambig)
&rst
ixpk= 823, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 257, 258, 404, 405, 279, 280,
igr2= 254, 255, 254, 255, 401, 402, 401, 402, 254, 255,
&end
#
# 15 GLU HG- 15 GLU HB- 3.50 (# 824:9 Unique 2.64, 5.56 A)
&rst
ixpk= 824, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 208, 209,
igr2= 205, 206,
&end
#
# 15 GLU HB- 15 GLU HG- 3.50 (# 825:9 Unique 2.64, 5.56 A)
&rst
ixpk= 825, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 205, 206,
igr2= 208, 209,
&end
#
# 21 LYS HA 22 GLU HB+ 5.60 (# 826:9 Unique 5.53, 5.84 A)
&rst
ixpk= 826, nxpk= 9, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 339, 340,
&end
#
# 22 GLU HB+ 21 LYS HA 5.60 (# 827:9 Unique 5.53, 5.84 A)
&rst
ixpk= 827, nxpk= 9, iat= -1, 315, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 339, 340,
&end
#
# 23 GLU HG- 23 GLU HA 4.20 (# 828:9 Unique)
&rst
ixpk= 828, nxpk= 9, iat= -1, 352, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 357, 358,
&end
#
# 0 AMB 9-2:829 0 AMB 9-1:829 4.50 (# 829:9 Double Ambig)
&rst
ixpk= 829, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 357, 358, 208, 209, 342, 343,
igr2= 352, 203,
&end
#
# 17 LEU HB+ 33 PHE HZ 5.60 (# 832:9 Unique 4.63, 5.83 A)
&rst
ixpk= 832, nxpk= 9, iat= -1, 528, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 235, 236,
&end
#
# 0 AMB 9-2:834 0 AMB 9-1:834 5.20 (# 834:9 Double Ambig)
&rst
ixpk= 834, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
igr1= 337, 177,
igr2= 323, 324, 323, 324, 301,
&end
#
# 0 AMB 9-2:835 0 AMB 9-1:835 5.20 (# 835:9 Double Ambig)
&rst
ixpk= 835, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
igr1= 323, 324, 323, 324, 301,
igr2= 337, 177,
&end
#
# 5 VAL MGY 29 ILE HA 5.20 (# 836:9 Unique 2.68, 4.33 A)
&rst
ixpk= 836, nxpk= 9, iat= -1, 445, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 52, 53, 54, 56, 57, 58,
&end
#
# 17 LEU HA 17 LEU MDY 5.60 (# 837:9 Unique 1.99, 3.74 A)
&rst
ixpk= 837, nxpk= 9, iat= 233, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr2= 240, 241, 242, 244, 245, 246,
&end
#
# 17 LEU MDY 17 LEU HA 5.60 (# 838:9 Unique 1.99, 3.74 A)
&rst
ixpk= 838, nxpk= 9, iat= -1, 233, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1= 240, 241, 242, 244, 245, 246,
&end
#
# 0 AMB 9-2:841 0 AMB 9-1:841 5.20 (# 841:9 Double Ambig)
&rst
ixpk= 841, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.25, r4= 8.75,
igr1= 354, 355, 407, 408,
igr2= 357, 358, 357, 358,
&end
#
# 0 AMB 9-2:842 0 AMB 9-1:842 5.60 (# 842:9 Double Ambig)
&rst
ixpk= 842, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39,
igr1= 357, 358, 357, 358,
igr2= 354, 355, 407, 408,
&end
#
# 19 LYS HG- 19 LYS HA 4.50 (# 843:9 Unique)
&rst
ixpk= 843, nxpk= 9, iat= -1, 274, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 279, 280,
&end
#
# 0 AMB 9-2:844 0 AMB 9-1:844 4.20 (# 844:9 Double Ambig)
&rst
ixpk= 844, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 92, 93, 94, 508, 509, 510,
igr2= 90, 506,
&end
#
# 29 ILE HB 6 ARG HG- 4.50 (# 845:9 Unique)
&rst
ixpk= 845, nxpk= 9, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 69, 70,
&end
#
# 6 ARG HG- 29 ILE HB 4.50 (# 846:9 Unique)
&rst
ixpk= 846, nxpk= 9, iat= -1, 447, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 69, 70,
&end
#
# 17 LEU MDY 17 LEU HB- 5.60 (# 847:9 Unique 2.03, 3.31 A)
&rst
ixpk= 847, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
igr1= 240, 241, 242, 244, 245, 246,
igr2= 235, 236,
&end
#
# 17 LEU HB- 17 LEU MDY 4.20 (# 848:9 Unique 2.03, 3.31 A)
&rst
ixpk= 848, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 235, 236,
igr2= 240, 241, 242, 244, 245, 246,
&end
#
# 27 ALA MB 4 GLN HG- 5.20 (# 849:9 Unique 3.09, 5.10 A)
&rst
ixpk= 849, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 423, 424, 425,
igr2= 36, 37,
&end
#
# 4 GLN HG- 27 ALA MB 5.20 (# 850:9 Unique 3.09, 5.10 A)
&rst
ixpk= 850, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 36, 37,
igr2= 423, 424, 425,
&end
#
# 32 THR MG2 0 AMB 9-1:851 5.60 (# 851:9 Double Ambig)
&rst
ixpk= 851, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
igr1= 508, 509, 510,
igr2= 472, 473, 472, 473,
&end
#
# 0 AMB 9-2:852 17 LEU HA 5.20 (# 852:9 Single Ambig)
&rst
ixpk= 852, nxpk= 9, iat= -1, 233, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 301, 323, 324, 323, 324,
&end
#
# 32 THR MG2 0 AMB 9-1:853 5.20 (# 853:9 Single Ambig)
&rst
ixpk= 853, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
igr1= 508, 509, 510,
igr2= 520, 521, 520, 521,
&end
#
# 29 ILE HN 27 ALA HN 5.20 (# 854:9 Unique 4.26, 4.39 A)
&rst
ixpk= 854, nxpk= 9, iat= 443, 419, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 34 TRP HB- 0 AMB 9-1:855 5.60 (# 855:9 Single Ambig)
&rst
ixpk= 855, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.92, r4= 8.42,
igr1= 540, 541,
igr2= 123, 124, 123, 124,
&end
#
# 0 AMB 9-2:856 0 AMB 9-1:856 5.60 (# 856:9 Double Ambig)
&rst
ixpk= 856, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.06, r4=12.56,
igr1= 72, 73, 72, 73, 72, 73, 472, 473, 472, 473,
igr2= 66, 67, 66, 67, 66, 67, 466, 467, 466, 467,
&end
#
# 0 AMB 9-2:857 0 AMB 9-1:857 5.20 (# 857:9 Double Ambig)
&rst
ixpk= 857, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
igr1= 252, 399, 218,
igr2= 257, 258, 404, 405, 257, 258,
&end
#
# 0 AMB 9-2:858 0 AMB 9-1:858 5.60 (# 858:9 Double Ambig)
&rst
ixpk= 858, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
igr1= 31, 175,
igr2= 36, 37, 208, 209, 223, 224,
&end
#
# 23 GLU HA 23 GLU HG+ 5.20 (# 859:9 Unique 2.01, 2.98 A)
&rst
ixpk= 859, nxpk= 9, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 357, 358,
&end
#
# 0 AMB 9-2:860 0 AMB 9-1:860 5.20 (# 860:9 Double Ambig)
&rst
ixpk= 860, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
igr1= 220, 221, 220, 221, 339, 340,
igr2= 177, 337,
&end
#
# 0 AMB 9-2:861 21 LYS HA 5.20 (# 861:9 Single Ambig)
&rst
ixpk= 861, nxpk= 9, iat= -1, 315, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 320, 321, 320, 321,
&end
#
# 27 ALA MB 0 AMB 9-1:862 5.20 (# 862:9 Single Ambig)
&rst
ixpk= 862, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 423, 424, 425,
igr2= 367, 399,
&end
#
# 8 ILE QD1 10 VAL MGX 4.20 (# 863:9 Unique)
&rst
ixpk= 863, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 113, 114, 115,
igr2= 149, 150, 151, 153, 154, 155,
&end
#
# 22 GLU HA 22 GLU HG+ 5.20 (# 864:9 Unique 2.18, 2.97 A)
&rst
ixpk= 864, nxpk= 9, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 342, 343,
&end
#
# 0 AMB 9-2:865 0 AMB 9-1:865 3.50 (# 865:9 Double Ambig)
&rst
ixpk= 865, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 177, 337,
igr2= 220, 221, 220, 221, 339, 340,
&end
#
# 31 VAL HN 29 ILE QD1 5.60 (# 867:9 Unique 3.90, 5.29 A)
&rst
ixpk= 867, nxpk= 9, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 456, 457, 458,
&end
#
# 26 LYS HN 22 GLU HA 5.60 (# 869:9 Unique 3.27, 3.66 A)
&rst
ixpk= 869, nxpk= 9, iat= 397, 337, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 0 AMB 9-2:870 0 AMB 9-1:870 5.20 (# 870:9 Double Ambig)
&rst
ixpk= 870, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 294, 365,
igr2= 218, 352,
&end
#
# 29 ILE HN 24 ALA HA 5.20 (# 871:9 Unique 3.89, 4.30 A)
&rst
ixpk= 871, nxpk= 9, iat= 443, 367, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 0 AMB 9-2:872 0 AMB 9-1:872 4.50 (# 872:9 Double Ambig)
&rst
ixpk= 872, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 173, 166,
igr2= 168, 169, 168, 169,
&end
#
# 16 GLU HN 13 THR HB 5.20 (# 873:9 Unique 3.28, 3.78 A)
&rst
ixpk= 873, nxpk= 9, iat= 216, 177, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 0 AMB 9-2:874 2 SER HN 5.60 (# 874:9 Single Ambig)
&rst
ixpk= 874, nxpk= 9, iat= -1, 11, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 15, 16, 15, 16,
&end
#
# 10 VAL HB 0 AMB 9-1:877 5.20 (# 877:9 Single Ambig)
&rst
ixpk= 877, nxpk= 9, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 159, 536,
&end
#
# 5 VAL HB 30 ARG HN 5.60 (# 878:9 Unique 3.92, 4.71 A)
&rst
ixpk= 878, nxpk= 9, iat= 50, 462, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 17 LEU HA 33 PHE HD 5.60 (# 881:9 Unique 4.81, 5.87 A)
&rst
ixpk= 881, nxpk= 9, iat= 233, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 524, 532,
&end
#
# 17 LEU MDX 33 PHE HD 5.60 (# 882:9 Unique 2.35, 4.68 A)
&rst
ixpk= 882, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
igr1= 240, 241, 242, 244, 245, 246,
igr2= 524, 532,
&end
#
# 8 ILE QG2 0 AMB 9-1:885 5.60 (# 885:9 Single Ambig)
&rst
ixpk= 885, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1= 106, 107, 108,
igr2= 86, 119,
&end
#
# 17 LEU MDY 33 PHE HD 5.60 (# 887:9 Unique 2.35, 4.68 A)
&rst
ixpk= 887, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
igr1= 240, 241, 242, 244, 245, 246,
igr2= 524, 532,
&end
#
# 0 AMB 9-2:888 8 ILE HN 5.60 (# 888:9 Single Ambig)
&rst
ixpk= 888, nxpk= 9, iat= -1, 100, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 110, 111, 110, 111,
&end
#
# 5 VAL MGY 4 GLN HN 5.60 (# 889:9 Unique 2.36, 5.43 A)
&rst
ixpk= 889, nxpk= 9, iat= -1, 29, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1= 52, 53, 54, 56, 57, 58,
&end
#
# 0 AMB 9-2:890 33 PHE HD 5.60 (# 890:9 Single Ambig)
&rst
ixpk= 890, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1= 238, 298, 299,
igr2= 524, 532,
&end
#
# 0 AMB 9-2:891 25 LYS HN 5.20 (# 891:9 Single Ambig)
&rst
ixpk= 891, nxpk= 9, iat= -1, 375, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 401, 402, 401, 402,
&end
#
# 10 VAL HB 33 PHE HD 4.50 (# 894:9 Unique 4.21, 6.19 A)
&rst
ixpk= 894, nxpk= 9, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 524, 532,
&end
#
# 0 AMB 9-2:895 6 ARG HE 5.60 (# 895:9 Single Ambig)
&rst
ixpk= 895, nxpk= 9, iat= -1, 75, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 66, 67, 66, 67,
&end
#
# 6 ARG HG+ 6 ARG HE 5.60 (# 896:9 Unique 2.07, 2.97 A)
&rst
ixpk= 896, nxpk= 9, iat= -1, 75, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 69, 70,
&end
#
# 8 ILE QD1 32 THR HN 4.50 (# 898:9 Unique)
&rst
ixpk= 898, nxpk= 9, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 113, 114, 115,
&end
#
# 24 ALA MB 22 GLU HN 5.20 (# 899:9 Unique)
&rst
ixpk= 899, nxpk= 9, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 369, 370, 371,
&end
#
# 30 ARG HG- 30 ARG HN 5.20 (# 900:9 Unique 1.87, 2.91 A)
&rst
ixpk= 900, nxpk= 9, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 469, 470,
&end
#
# 10 VAL HN 34 TRP HE3 5.60 (# 901:9 Unique 2.61, 2.82 A)
&rst
ixpk= 901, nxpk= 9, iat= 143, 555, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 33 PHE HE 33 PHE HN 5.60 (# 902:9 Unique 4.57, 5.03 A)
&rst
ixpk= 902, nxpk= 9, iat= -1, 516, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 526, 530,
&end
#
# 34 TRP HZ3 9 TRP HD1 5.60 (# 903:9 Unique 2.59, 2.84 A)
&rst
ixpk= 903, nxpk= 9, iat= 553, 127, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 9 TRP HD1 34 TRP HZ3 5.60 (# 904:9 Unique 2.59, 2.84 A)
&rst
ixpk= 904, nxpk= 9, iat= 127, 553, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 19 LYS HN 19 LYS HG- 5.20 (# 905:9 Unique 1.90, 2.54 A)
&rst
ixpk= 905, nxpk= 9, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 279, 280,
&end
#
# 10 VAL HN 34 TRP HB- 5.60 (# 906:9 Unique 3.34, 4.52 A)
&rst
ixpk= 906, nxpk= 9, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 540, 541,
&end
#
# 8 ILE HN 8 ILE HB 4.50 (# 907:9 Unique 3.76, 3.85 A)
&rst
ixpk= 907, nxpk= 9, iat= 100, 104, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 33 PHE HE 31 VAL MGX 6.00 (# 908:9 Unique 1.95, 4.91 A)
&rst
ixpk= 908, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 526, 530,
igr2= 492, 493, 494, 496, 497, 498,
&end
#
# 7 THR HN 0 AMB 9-1:909 5.60 (# 909:9 Single Ambig)
&rst
ixpk= 909, nxpk= 9, iat= 86, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr2= 66, 67, 66, 67,
&end
#
# 4 GLN HN 5 VAL MGY 5.60 (# 910:9 Unique 2.36, 5.43 A)
&rst
ixpk= 910, nxpk= 9, iat= 29, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr2= 52, 53, 54, 56, 57, 58,
&end
#
# 10 VAL HN 8 ILE QD1 5.20 (# 911:9 Unique 2.30, 3.44 A)
&rst
ixpk= 911, nxpk= 9, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 113, 114, 115,
&end
#
# 0 AMB 9-2:912 0 AMB 9-1:912 5.60 (# 912:9 Double Ambig)
&rst
ixpk= 912, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
igr1= 159, 536,
igr2= 123, 124, 123, 124, 123, 124,
&end
#
# 0 AMB 9-2:913 0 AMB 9-1:913 2.80 (# 913:9 Double Ambig)
&rst
ixpk= 913, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 401, 402, 401, 402, 254, 255, 254, 255,
igr2= 342, 343, 208, 209, 208, 209,
&end
#
# 0 AMB 9-2:914 0 AMB 9-1:914 2.80 (# 914:9 Double Ambig)
&rst
ixpk= 914, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 342, 343, 208, 209, 208, 209,
igr2= 401, 402, 401, 402, 254, 255, 254, 255,
&end
#
# 32 THR HB 34 TRP HN 5.60 (# 915:9 Unique 5.24, 5.49 A)
&rst
ixpk= 915, nxpk= 9, iat= 506, 536, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 0 AMB 9-2:916 0 AMB 9-1:916 5.20 (# 916:9 Double Ambig)
&rst
ixpk= 916, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.97, r4=11.47,
igr1= 36, 37, 342, 343, 208, 209, 208, 209,
igr2= 449, 450, 451, 407, 408, 407, 408, 260, 261, 260,
261,
&end
#
# 7 THR HN 0 AMB 9-1:917 5.60 (# 917:9 Single Ambig)
&rst
ixpk= 917, nxpk= 9, iat= 86, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr2= 472, 473, 472, 473,
&end
#
# 0 AMB 9-2:922 31 VAL HN 5.60 (# 922:9 Single Ambig)
&rst
ixpk= 922, nxpk= 9, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 462, 100,
&end
#
# 31 VAL HN 0 AMB 9-1:923 5.60 (# 923:9 Single Ambig)
&rst
ixpk= 923, nxpk= 9, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 462, 100,
&end
#
# 32 THR HN 31 VAL HN 5.60 (# 924:9 Unique 4.34, 4.40 A)
&rst
ixpk= 924, nxpk= 9, iat= 502, 486, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 20 LEU MDY 13 THR HB 5.60 (# 928:9 Unique 4.77, 6.46 A)
&rst
ixpk= 928, nxpk= 9, iat= -1, 177, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1= 303, 304, 305, 307, 308, 309,
&end
#
# 0 AMB 9-2:930 28 ASN HN 5.60 (# 930:9 Single Ambig)
&rst
ixpk= 930, nxpk= 9, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 401, 402, 401, 402,
&end
#
# 0 AMB 9-2:931 19 LYS HN 5.60 (# 931:9 Single Ambig)
&rst
ixpk= 931, nxpk= 9, iat= -1, 272, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 260, 261, 260, 261,
&end
#
# 4 GLN HA 4 GLN HG- 5.20 (# 938:9 Unique 2.36, 3.43 A)
&rst
ixpk= 938, nxpk= 9, iat= 31, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 36, 37,
&end
#
# 0 AMB 9-2:939 0 AMB 9-1:939 5.20 (# 939:9 Double Ambig)
&rst
ixpk= 939, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
igr1= 64, 102,
igr2= 72, 73, 72, 73, 72, 73,
&end
#
# 7 THR HA 29 ILE HB 6.00 (# 940:9 Unique)
&rst
ixpk= 940, nxpk= 9, iat= 88, 447, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 9-2:942 0 AMB 9-1:942 5.60 (# 942:9 Double Ambig)
&rst
ixpk= 942, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39,
igr1= 540, 541, 540, 541,
igr2= 123, 124, 123, 124,
&end
#
# 20 LEU HA 20 LEU MDY 5.20 (# 943:9 Unique 1.98, 3.06 A)
&rst
ixpk= 943, nxpk= 9, iat= 296, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr2= 303, 304, 305, 307, 308, 309,
&end
#
# 29 ILE HA 0 AMB 9-1:945 5.20 (# 945:9 Single Ambig)
&rst
ixpk= 945, nxpk= 9, iat= 445, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2= 453, 454, 453, 454,
&end
#
# 0 AMB 9-2:947 0 AMB 9-1:947 3.50 (# 947:9 Double Ambig)
&rst
ixpk= 947, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.01, r4= 8.51,
igr1= 466, 467, 254, 255, 254, 255, 401, 402, 401, 402,
276, 277,
igr2= 469, 470, 257, 258, 257, 258, 404, 405, 404, 405,
257, 258,
&end
#
# 7 THR HN 6 ARG HG+ 5.20 (# 948:9 Unique 2.43, 4.46 A)
&rst
ixpk= 948, nxpk= 9, iat= 86, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 69, 70,
&end
#
# 34 TRP HN 32 THR HB 5.60 (# 949:9 Unique 5.24, 5.49 A)
&rst
ixpk= 949, nxpk= 9, iat= 536, 506, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 0 AMB 9-2:950 0 AMB 9-1:950 5.60 (# 950:9 Double Ambig)
&rst
ixpk= 950, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39,
igr1= 365, 294,
igr2= 342, 343, 317, 318, 317, 318, 317, 318,
&end
#
# 34 TRP HE3 0 AMB 9-1:951 5.20 (# 951:9 Single Ambig)
&rst
ixpk= 951, nxpk= 9, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2= 123, 124, 123, 124,
&end
#
# 8 ILE HN 7 THR HB 5.20 (# 952:9 Unique 4.19, 4.34 A)
&rst
ixpk= 952, nxpk= 9, iat= 100, 90, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 22 GLU HN 0 AMB 9-1:953 5.20 (# 953:9 Double Ambig)
&rst
ixpk= 953, nxpk= 9, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2= 320, 321, 320, 321,
&end
#
# 0 AMB 9-2:958 8 ILE QG2 4.20 (# 958:9 Single Ambig)
&rst
ixpk= 958, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 110, 111, 110, 111,
igr2= 106, 107, 108,
&end
#
# 25 LYS HG- 0 AMB 9-1:960 5.20 (# 960:9 Single Ambig)
&rst
ixpk= 960, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
igr1= 382, 383,
igr2= 388, 389, 388, 389,
&end
#
# 8 ILE QG2 0 AMB 9-1:961 4.20 (# 961:9 Single Ambig)
&rst
ixpk= 961, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 106, 107, 108,
igr2= 110, 111, 110, 111,
&end
#
# 0 AMB 9-2:963 0 AMB 9-1:963 4.50 (# 963:9 Double Ambig)
&rst
ixpk= 963, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 303, 304, 305, 307, 308, 309, 453, 454,
igr2= 220, 221, 220, 221, 354, 355,
&end
#
# 30 ARG HA 30 ARG HG+ 5.60 (# 965:9 Unique)
&rst
ixpk= 965, nxpk= 9, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 469, 470,
&end
#
# 0 AMB 9-2:967 0 AMB 9-1:967 2.80 (# 967:9 Double Ambig)
&rst
ixpk= 967, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 254, 255, 254, 255, 401, 402, 401, 402, 276, 277,
276, 277, 276, 277,
igr2= 257, 258, 404, 405, 279, 280, 279, 280,
&end
#
# 10 VAL HB 20 LEU MDX 5.20 (# 971:9 Unique 4.78, 6.61 A)
&rst
ixpk= 971, nxpk= 9, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr2= 303, 304, 305, 307, 308, 309,
&end
#
# 24 ALA MB 31 VAL MGX 6.00 (# 972:9 Unique 1.97, 3.90 A)
&rst
ixpk= 972, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 369, 370, 371,
igr2= 492, 493, 494, 496, 497, 498,
&end
#
# 0 AMB 9-2:973 20 LEU MDY 5.20 (# 973:9 Single Ambig)
&rst
ixpk= 973, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.83, r4= 9.33,
igr1= 220, 221, 220, 221,
igr2= 303, 304, 305, 307, 308, 309,
&end
#
# 7 THR HN 7 THR HA 5.60 (# 974:9 Unique 2.91, 2.93 A)
&rst
ixpk= 974, nxpk= 9, iat= 86, 88, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 30 ARG HN 29 ILE HN 5.60 (# 976:9 Unique 4.64, 4.66 A)
&rst
ixpk= 976, nxpk= 9, iat= 462, 443, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 29 ILE HN 30 ARG HN 5.60 (# 977:9 Unique 4.64, 4.66 A)
&rst
ixpk= 977, nxpk= 9, iat= 443, 462, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 22 GLU HA 25 LYS HN 5.60 (# 979:9 Unique 3.23, 3.63 A)
&rst
ixpk= 979, nxpk= 9, iat= 337, 375, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 10 VAL HA 34 TRP HE3 5.60 (# 980:9 Unique 5.19, 5.38 A)
&rst
ixpk= 980, nxpk= 9, iat= 145, 555, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 31 VAL MGX 21 LYS HN 6.00 (# 982:9 Unique 3.10, 5.52 A)
&rst
ixpk= 982, nxpk= 9, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 492, 493, 494, 496, 497, 498,
&end
#
# 17 LEU MDY 17 LEU HN 5.60 (# 983:9 Unique 2.51, 4.41 A)
&rst
ixpk= 983, nxpk= 9, iat= -1, 231, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1= 240, 241, 242, 244, 245, 246,
&end
#
# 7 THR HB 9 TRP HD1 5.60 (# 984:9 Unique 4.96, 5.26 A)
&rst
ixpk= 984, nxpk= 9, iat= 90, 127, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 9 TRP HD1 9 TRP HA 5.20 (# 985:9 Unique 3.33, 3.48 A)
&rst
ixpk= 985, nxpk= 9, iat= 127, 121, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
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