NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
559003 |
2rsf   |
11472 | cing | 1-original | 3 | AMBER | distance | NOE | simple |
#
# 7 GLY QA 8 PHE HN 2.56 (#peak 289)
&rst
ixpk= 289, nxpk= 0, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37,
rk2 = 32.0, rk3 = 32.0, ir6=1, ialtd=0,
igr1= 71, 72,
&end
#
# 7 GLY QA 8 PHE QD 4.46 (#peak 2390)
&rst
ixpk= 2390, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 71, 72,
igr2= 84, 92,
&end
#
# 8 PHE HA 8 PHE QB 2.61 (#peak 1094)
&rst
ixpk= 1094, nxpk= 0, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,
igr2= 80, 81,
&end
#
# 8 PHE HA 8 PHE QD 3.77 (#peak 21 #SUP 1.00)
&rst
ixpk= 21, nxpk= 0, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 84, 92,
&end
#
# 8 PHE HA 9 LEU HN 2.55 (#peak 103 #SUP 0.94 #QF 0.94)
&rst
ixpk= 103, nxpk= 0, iat= 78, 96, r1= 1.30, r2= 1.80, r3= 2.55, r4= 3.05, &end
#
# 8 PHE HA 9 LEU QB 4.31 (#peak 1091)
&rst
ixpk= 1091, nxpk= 0, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 100, 101,
&end
#
# 8 PHE HB2 9 LEU HN 3.79 (#peak 105 #SUP 0.98 #QF 0.98)
&rst
ixpk= 105, nxpk= 0, iat= 80, 96, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 8 PHE HB3 9 LEU HN 3.79 (#peak 395 #SUP 0.99 #QF 0.99)
&rst
ixpk= 395, nxpk= 0, iat= 81, 96, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 8 PHE HN 8 PHE HB2 3.61 (#peak 290 #SUP 0.99 #QF 0.99)
&rst
ixpk= 290, nxpk= 0, iat= 76, 80, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 8 PHE HN 8 PHE HB3 3.61 (#peak 291 #SUP 0.92 #QF 0.92)
&rst
ixpk= 291, nxpk= 0, iat= 76, 81, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 8 PHE HN 8 PHE QB 2.76 (#peak 291)
&rst
ixpk= 291, nxpk= 0, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,
igr2= 80, 81,
&end
#
# 8 PHE HN 8 PHE QD 3.53 (#peak 287 #SUP 0.99 #QF 0.99)
&rst
ixpk= 287, nxpk= 0, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 84, 92,
&end
#
# 8 PHE QB 9 LEU HN 3.14 (#peak 105)
&rst
ixpk= 105, nxpk= 0, iat= -1, 96, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr1= 80, 81,
&end
#
# 8 PHE QD 9 LEU HN 3.94 (#peak 102 #SUP 0.97 #QF 0.97)
&rst
ixpk= 102, nxpk= 0, iat= -1, 96, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 84, 92,
&end
#
# 9 LEU HA 10 ASP- HN 2.42 (#peak 206 #SUP 0.86 #QF 0.86)
&rst
ixpk= 206, nxpk= 0, iat= 98, 115, r1= 1.30, r2= 1.80, r3= 2.42, r4= 2.92, &end
#
# 9 LEU HA 9 LEU HG 3.39 (#peak 1047 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1047, nxpk= 0, iat= 98, 103, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 9 LEU HA 9 LEU QQD 2.79 (#peak 1375)
&rst
ixpk= 1375, nxpk= 0, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 105, 106, 107, 109, 110, 111,
&end
#
# 9 LEU HG 10 ASP- HN 3.56 (#peak 1046 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1046, nxpk= 0, iat= 103, 115, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 9 LEU HN 9 LEU HB2 3.51 (#peak 297 #SUP 0.82 #QF 0.82)
&rst
ixpk= 297, nxpk= 0, iat= 96, 100, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 9 LEU HN 9 LEU HB3 3.51 (#peak 107 #SUP 0.89 #QF 0.89)
&rst
ixpk= 107, nxpk= 0, iat= 96, 101, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 9 LEU HN 9 LEU QB 2.70 (#peak 107)
&rst
ixpk= 107, nxpk= 0, iat= 96, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr2= 100, 101,
&end
#
# 9 LEU QB 9 LEU QQD 2.74 (#peak 300)
&rst
ixpk= 300, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 100, 101,
igr2= 105, 106, 107, 109, 110, 111,
&end
#
# 10 ASP- HA 10 ASP- HB2 3.02 (#peak 1401 #SUP 1.00)
&rst
ixpk= 1401, nxpk= 0, iat= 117, 119, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 10 ASP- HA 10 ASP- HB3 3.02 (#peak 1402 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1402, nxpk= 0, iat= 117, 120, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 10 ASP- HA 11 LYS+ HB2 4.23 (#peak 1403 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1403, nxpk= 0, iat= 117, 131, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 10 ASP- HA 11 LYS+ HG2 5.14 (#peak 1404 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1404, nxpk= 0, iat= 117, 134, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 10 ASP- HA 11 LYS+ HN 2.46 (#peak 1400 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1400, nxpk= 0, iat= 117, 127, r1= 1.30, r2= 1.80, r3= 2.46, r4= 2.96, &end
#
# 10 ASP- HN 10 ASP- QB 2.66 (#peak 208)
&rst
ixpk= 208, nxpk= 0, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,
igr2= 119, 120,
&end
#
# 10 ASP- QB 11 LYS+ HN 3.03 (#peak 183)
&rst
ixpk= 183, nxpk= 0, iat= -1, 127, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr1= 119, 120,
&end
#
# 11 LYS+ HA 11 LYS+ HB3 2.90 (#peak 1408 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1408, nxpk= 0, iat= 129, 132, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 11 LYS+ HA 11 LYS+ HG2 3.18 (#peak 1410 #SUP 0.69 #QF 0.69)
&rst
ixpk= 1410, nxpk= 0, iat= 129, 134, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 11 LYS+ HA 11 LYS+ HG3 3.50 (#peak 1256 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1256, nxpk= 0, iat= 129, 135, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 11 LYS+ HA 11 LYS+ QD 3.52 (#peak 842)
&rst
ixpk= 842, nxpk= 0, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 137, 138,
&end
#
# 11 LYS+ HA 12 PRO HD2 2.63 (#peak 1405 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1405, nxpk= 0, iat= 129, 150, r1= 1.30, r2= 1.80, r3= 2.63, r4= 3.13, &end
#
# 11 LYS+ HA 12 PRO HD3 2.53 (#peak 1406 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1406, nxpk= 0, iat= 129, 151, r1= 1.30, r2= 1.80, r3= 2.53, r4= 3.03, &end
#
# 11 LYS+ HB2 12 PRO HD2 3.93 (#peak 621 #SUP 1.00)
&rst
ixpk= 621, nxpk= 0, iat= 131, 150, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 11 LYS+ HB3 11 LYS+ HG2 3.00 (#peak 613 #SUP 0.90 #QF 0.68)
&rst
ixpk= 613, nxpk= 0, iat= 132, 134, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 11 LYS+ HB3 12 PRO HD2 3.75 (#peak 614 #SUP 1.00)
&rst
ixpk= 614, nxpk= 0, iat= 132, 150, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 11 LYS+ HB3 12 PRO HD3 3.56 (#peak 631 #SUP 0.57 #QF 0.57)
&rst
ixpk= 631, nxpk= 0, iat= 132, 151, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 11 LYS+ HG2 12 PRO HD2 4.03 (#peak 1583 #SUP 0.99 #QF 0.96)
&rst
ixpk= 1583, nxpk= 0, iat= 134, 150, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 11 LYS+ HG2 12 PRO HD3 3.71 (#peak 1587 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1587, nxpk= 0, iat= 134, 151, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 11 LYS+ HN 11 LYS+ HB2 2.50 (#peak 187 #SUP 0.78 #QF 0.78)
&rst
ixpk= 187, nxpk= 0, iat= 127, 131, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 11 LYS+ HN 11 LYS+ HB3 3.63 (#peak 615 #SUP 0.95 #QF 0.95)
&rst
ixpk= 615, nxpk= 0, iat= 127, 132, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 11 LYS+ HN 11 LYS+ HG2 4.21 (#peak 1251 #SUP 1.00)
&rst
ixpk= 1251, nxpk= 0, iat= 127, 134, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 11 LYS+ HN 11 LYS+ HG3 4.02 (#peak 1255 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1255, nxpk= 0, iat= 127, 135, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 11 LYS+ HN 12 PRO HD2 4.84 (#peak 1579 #SUP 1.00)
&rst
ixpk= 1579, nxpk= 0, iat= 127, 150, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 11 LYS+ HN 12 PRO HD3 5.27 (#peak 1584 #SUP 1.00)
&rst
ixpk= 1584, nxpk= 0, iat= 127, 151, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 11 LYS+ QD 12 PRO HD2 3.61 (#peak 1582)
&rst
ixpk= 1582, nxpk= 0, iat= -1, 150, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 137, 138,
&end
#
# 11 LYS+ QD 12 PRO HD3 3.48 (#peak 1585)
&rst
ixpk= 1585, nxpk= 0, iat= -1, 151, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 137, 138,
&end
#
# 12 PRO HA 13 THR HB 4.28 (#peak 687 #SUP 1.00)
&rst
ixpk= 687, nxpk= 0, iat= 159, 167, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 12 PRO HA 13 THR HN 2.70 (#peak 443 #SUP 0.99 #QF 0.99)
&rst
ixpk= 443, nxpk= 0, iat= 159, 163, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 12 PRO HA 13 THR QG2 4.03 (#peak 693 #SUP 0.97 #QF 0.97)
&rst
ixpk= 693, nxpk= 0, iat= 159, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 169, 170, 171,
&end
#
# 12 PRO HB2 13 THR HN 3.28 (#peak 446 #SUP 0.99 #QF 0.99)
&rst
ixpk= 446, nxpk= 0, iat= 156, 163, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 12 PRO HB3 13 THR HN 3.28 (#peak 448 #SUP 0.99 #QF 0.99)
&rst
ixpk= 448, nxpk= 0, iat= 157, 163, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 12 PRO HG2 13 THR HN 4.13 (#peak 447 #SUP 0.99 #QF 0.99)
&rst
ixpk= 447, nxpk= 0, iat= 153, 163, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 12 PRO QB 13 THR QG2 4.50 (#peak 1453)
&rst
ixpk= 1453, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 156, 157,
igr2= 169, 170, 171,
&end
#
# 13 THR HA 13 THR HB 2.64 (#peak 449 #SUP 0.99 #QF 0.99)
&rst
ixpk= 449, nxpk= 0, iat= 165, 167, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14, &end
#
# 13 THR HA 13 THR QG2 3.21 (#peak 1450 #SUP 1.00)
&rst
ixpk= 1450, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 169, 170, 171,
&end
#
# 13 THR HA 14 LEU HG 3.43 (#peak 781 #SUP 0.98 #QF 0.98)
&rst
ixpk= 781, nxpk= 0, iat= 165, 184, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 13 THR HA 14 LEU HN 2.55 (#peak 51 #SUP 0.99 #QF 0.99)
&rst
ixpk= 51, nxpk= 0, iat= 165, 177, r1= 1.30, r2= 1.80, r3= 2.55, r4= 3.05, &end
#
# 13 THR HA 14 LEU QD1 4.00 (#peak 783 #SUP 0.58 #QF 0.58)
&rst
ixpk= 783, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 186, 187, 188,
&end
#
# 13 THR HB 14 LEU HN 3.88 (#peak 52 #SUP 1.00)
&rst
ixpk= 52, nxpk= 0, iat= 167, 177, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 13 THR HB 15 LEU HB2 5.04 (#peak 279 #SUP 0.57 #QF 0.57)
&rst
ixpk= 279, nxpk= 0, iat= 167, 200, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 13 THR HB 20 LEU QD2 3.91 (#peak 452 #SUP 0.81 #QF 0.55)
&rst
ixpk= 452, nxpk= 0, iat= 167, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 283, 284, 285,
&end
#
# 13 THR HN 13 THR HA 2.87 (#peak 444 #SUP 0.98 #QF 0.98)
&rst
ixpk= 444, nxpk= 0, iat= 163, 165, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end
#
# 13 THR HN 13 THR HB 3.48 (#peak 447 #SUP 0.99 #QF 0.99)
&rst
ixpk= 447, nxpk= 0, iat= 163, 167, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 13 THR HN 13 THR QG2 2.96 (#peak 1448 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1448, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 169, 170, 171,
&end
#
# 13 THR HN 14 LEU HG 4.96 (#peak 754 #SUP 0.93 #QF 0.93)
&rst
ixpk= 754, nxpk= 0, iat= 163, 184, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 13 THR HN 20 LEU QD1 5.50 (#peak 450 #SUP 0.82 #QF 0.37)
&rst
ixpk= 450, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 279, 280, 281,
&end
#
# 13 THR HN 20 LEU QD2 5.50 (#peak 450 #SUP 0.82 #QF 0.37)
&rst
ixpk= 450, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 283, 284, 285,
&end
#
# 13 THR QG2 14 LEU HN 3.35 (#peak 54 #SUP 0.97 #QF 0.97)
&rst
ixpk= 54, nxpk= 0, iat= -1, 177, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 169, 170, 171,
&end
#
# 13 THR QG2 15 LEU HG 3.93 (#peak 1454 #SUP 0.79 #QF 0.79)
&rst
ixpk= 1454, nxpk= 0, iat= -1, 203, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 169, 170, 171,
&end
#
# 13 THR QG2 15 LEU HN 3.72 (#peak 1449 #SUP 0.76 #QF 0.76)
&rst
ixpk= 1449, nxpk= 0, iat= -1, 196, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 169, 170, 171,
&end
#
# 13 THR QG2 20 LEU QD2 3.27 (#peak 1455 #SUP 0.22 #QF 0.22)
&rst
ixpk= 1455, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 169, 170, 171,
igr2= 283, 284, 285,
&end
#
# 14 LEU HA 14 LEU HB3 2.59 (#peak 1370 #SUP 0.88 #QF 0.88)
&rst
ixpk= 1370, nxpk= 0, iat= 179, 182, r1= 1.30, r2= 1.80, r3= 2.59, r4= 3.09, &end
#
# 14 LEU HA 14 LEU HG 3.34 (#peak 1024 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1024, nxpk= 0, iat= 179, 184, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 14 LEU HA 14 LEU QD1 3.92 (#peak 1186 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1186, nxpk= 0, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 186, 187, 188,
&end
#
# 14 LEU HA 14 LEU QD2 3.08 (#peak 1371 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1371, nxpk= 0, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 190, 191, 192,
&end
#
# 14 LEU HB2 14 LEU QD1 2.72 (#peak 306 #SUP 0.93 #QF 0.50)
&rst
ixpk= 306, nxpk= 0, iat= 181, -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
igr2= 186, 187, 188,
&end
#
# 14 LEU HB3 14 LEU QD2 2.74 (#peak 2528 #SUP 1.00 #QF 0.72)
&rst
ixpk= 2528, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2= 190, 191, 192,
&end
#
# 14 LEU HG 15 LEU HN 4.72 (#peak 1023 #SUP 0.88 #QF 0.88)
&rst
ixpk= 1023, nxpk= 0, iat= 184, 196, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 14 LEU HN 14 LEU HB2 2.92 (#peak 304 #SUP 0.92 #QF 0.92)
&rst
ixpk= 304, nxpk= 0, iat= 177, 181, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 14 LEU HN 14 LEU HG 3.29 (#peak 53 #SUP 1.00 #QF 0.98)
&rst
ixpk= 53, nxpk= 0, iat= 177, 184, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 14 LEU HN 14 LEU QD1 3.39 (#peak 55 #SUP 0.64 #QF 0.64)
&rst
ixpk= 55, nxpk= 0, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 186, 187, 188,
&end
#
# 14 LEU HN 15 LEU HG 3.86 (#peak 980 #SUP 0.86 #QF 0.86)
&rst
ixpk= 980, nxpk= 0, iat= 177, 203, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 14 LEU HN 15 LEU HN 3.01 (#peak 49 #SUP 0.68 #QF 0.68)
&rst
ixpk= 49, nxpk= 0, iat= 177, 196, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 14 LEU HN 15 LEU QD2 3.88 (#peak 1350 #SUP 0.82 #QF 0.82)
&rst
ixpk= 1350, nxpk= 0, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 209, 210, 211,
&end
#
# 14 LEU QD1 15 LEU HN 4.28 (#peak 1185 #SUP 0.79 #QF 0.79)
&rst
ixpk= 1185, nxpk= 0, iat= -1, 196, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 186, 187, 188,
&end
#
# 15 LEU HA 15 LEU HB3 2.82 (#peak 1382 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1382, nxpk= 0, iat= 198, 201, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, &end
#
# 15 LEU HA 15 LEU HG 3.46 (#peak 982 #SUP 0.91 #QF 0.91)
&rst
ixpk= 982, nxpk= 0, iat= 198, 203, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 15 LEU HA 15 LEU QD2 2.51 (#peak 1348 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1348, nxpk= 0, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,
igr2= 209, 210, 211,
&end
#
# 15 LEU HA 16 SER HA 4.47 (#peak 1378 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1378, nxpk= 0, iat= 198, 217, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 15 LEU HA 16 SER HB2 4.62 (#peak 1379 #SUP 1.00)
&rst
ixpk= 1379, nxpk= 0, iat= 198, 219, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 15 LEU HA 16 SER HN 2.79 (#peak 350 #SUP 0.99 #QF 0.99)
&rst
ixpk= 350, nxpk= 0, iat= 198, 215, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29, &end
#
# 15 LEU HA 19 GLU- HB2 4.77 (#peak 1381 #SUP 1.00)
&rst
ixpk= 1381, nxpk= 0, iat= 198, 259, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 15 LEU HA 19 GLU- QG 4.34 (#peak 1380)
&rst
ixpk= 1380, nxpk= 0, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 262, 263,
&end
#
# 15 LEU HB2 15 LEU QD1 2.97 (#peak 289 #SUP 0.88 #QF 0.79)
&rst
ixpk= 289, nxpk= 0, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2= 205, 206, 207,
&end
#
# 15 LEU HB2 16 SER HA 4.79 (#peak 1214 #SUP 0.66 #QF 0.66)
&rst
ixpk= 1214, nxpk= 0, iat= 200, 217, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 15 LEU HB2 16 SER HN 3.18 (#peak 357 #SUP 1.00)
&rst
ixpk= 357, nxpk= 0, iat= 200, 215, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 15 LEU HB2 19 GLU- HB2 3.60 (#peak 777 #SUP 0.99 #QF 0.99)
&rst
ixpk= 777, nxpk= 0, iat= 200, 259, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 15 LEU HB2 19 GLU- HB3 3.84 (#peak 766 #SUP 1.00)
&rst
ixpk= 766, nxpk= 0, iat= 200, 260, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 15 LEU HB2 19 GLU- QG 4.09 (#peak 466)
&rst
ixpk= 466, nxpk= 0, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 262, 263,
&end
#
# 15 LEU HB2 20 LEU HN 4.03 (#peak 277 #SUP 0.88 #QF 0.88)
&rst
ixpk= 277, nxpk= 0, iat= 200, 270, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 15 LEU HB2 20 LEU QD1 3.27 (#peak 289 #SUP 0.88 #QF 0.79)
&rst
ixpk= 289, nxpk= 0, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 279, 280, 281,
&end
#
# 15 LEU HB3 15 LEU QD1 2.73 (#peak 286 #SUP 0.70 #QF 0.70)
&rst
ixpk= 286, nxpk= 0, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr2= 205, 206, 207,
&end
#
# 15 LEU HB3 15 LEU QD2 2.70 (#peak 1349 #SUP 1.00 #QF 0.84)
&rst
ixpk= 1349, nxpk= 0, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2= 209, 210, 211,
&end
#
# 15 LEU HB3 16 SER HA 4.81 (#peak 1222 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1222, nxpk= 0, iat= 201, 217, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 15 LEU HB3 16 SER HB3 5.25 (#peak 2500 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2500, nxpk= 0, iat= 201, 220, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 15 LEU HB3 16 SER HN 3.16 (#peak 356 #SUP 1.00)
&rst
ixpk= 356, nxpk= 0, iat= 201, 215, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 15 LEU HB3 19 GLU- HB2 4.04 (#peak 287 #SUP 0.94 #QF 0.94)
&rst
ixpk= 287, nxpk= 0, iat= 201, 259, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 15 LEU HB3 19 GLU- HB3 3.78 (#peak 765 #SUP 1.00)
&rst
ixpk= 765, nxpk= 0, iat= 201, 260, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 15 LEU HB3 19 GLU- HG2 4.38 (#peak 2392 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2392, nxpk= 0, iat= 201, 262, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 15 LEU HB3 19 GLU- HG3 4.38 (#peak 274 #SUP 1.00 #QF 0.99)
&rst
ixpk= 274, nxpk= 0, iat= 201, 263, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 15 LEU HB3 19 GLU- HN 4.93 (#peak 197 #SUP 0.69 #QF 0.56)
&rst
ixpk= 197, nxpk= 0, iat= 201, 255, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 15 LEU HB3 19 GLU- QG 3.67 (#peak 274)
&rst
ixpk= 274, nxpk= 0, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 262, 263,
&end
#
# 15 LEU HG 16 SER HN 4.72 (#peak 979 #SUP 0.85 #QF 0.85)
&rst
ixpk= 979, nxpk= 0, iat= 203, 215, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 15 LEU HN 15 LEU HB2 2.86 (#peak 89 #SUP 0.98 #QF 0.98)
&rst
ixpk= 89, nxpk= 0, iat= 196, 200, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 15 LEU HN 15 LEU HB3 3.70 (#peak 285 #SUP 1.00)
&rst
ixpk= 285, nxpk= 0, iat= 196, 201, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 15 LEU HN 15 LEU HG 2.40 (#peak 88 #SUP 0.70 #QF 0.70)
&rst
ixpk= 88, nxpk= 0, iat= 196, 203, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 15 LEU HN 15 LEU QD2 3.40 (#peak 1347 #SUP 1.00)
&rst
ixpk= 1347, nxpk= 0, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 209, 210, 211,
&end
#
# 15 LEU QD1 16 SER HN 4.08 (#peak 358 #SUP 0.98 #QF 0.73)
&rst
ixpk= 358, nxpk= 0, iat= -1, 215, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 205, 206, 207,
&end
#
# 15 LEU QD1 19 GLU- HA 5.09 (#peak 1098 #SUP 0.89 #QF 0.84)
&rst
ixpk= 1098, nxpk= 0, iat= -1, 257, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 205, 206, 207,
&end
#
# 15 LEU QD1 19 GLU- HB2 3.35 (#peak 778 #SUP 0.99 #QF 0.99)
&rst
ixpk= 778, nxpk= 0, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 205, 206, 207,
&end
#
# 15 LEU QD1 19 GLU- HB3 3.72 (#peak 767 #SUP 1.00)
&rst
ixpk= 767, nxpk= 0, iat= -1, 260, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 205, 206, 207,
&end
#
# 15 LEU QD1 19 GLU- HG2 4.58 (#peak 461 #SUP 0.98 #QF 0.98)
&rst
ixpk= 461, nxpk= 0, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 205, 206, 207,
&end
#
# 15 LEU QD1 19 GLU- HG3 4.58 (#peak 464 #SUP 1.00 #QF 0.96)
&rst
ixpk= 464, nxpk= 0, iat= -1, 263, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 205, 206, 207,
&end
#
# 15 LEU QD1 19 GLU- QG 3.71 (#peak 464)
&rst
ixpk= 464, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 205, 206, 207,
igr2= 262, 263,
&end
#
# 15 LEU QD2 16 SER HN 3.81 (#peak 1346 #SUP 1.00)
&rst
ixpk= 1346, nxpk= 0, iat= -1, 215, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 209, 210, 211,
&end
#
# 15 LEU QD2 19 GLU- QG 3.69 (#peak 2527)
&rst
ixpk= 2527, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 209, 210, 211,
igr2= 262, 263,
&end
#
# 16 SER HA 16 SER HB2 2.99 (#peak 719 #SUP 1.00)
&rst
ixpk= 719, nxpk= 0, iat= 217, 219, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 16 SER HA 16 SER HB3 2.84 (#peak 705 #SUP 0.99 #QF 0.99)
&rst
ixpk= 705, nxpk= 0, iat= 217, 220, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34, &end
#
# 16 SER HA 17 PRO HB3 5.34 (#peak 1219 #SUP 1.00)
&rst
ixpk= 1219, nxpk= 0, iat= 217, 234, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 16 SER HA 17 PRO HD2 2.70 (#peak 1599 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1599, nxpk= 0, iat= 217, 227, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 16 SER HA 17 PRO HD3 2.58 (#peak 1218 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1218, nxpk= 0, iat= 217, 228, r1= 1.30, r2= 1.80, r3= 2.58, r4= 3.08, &end
#
# 16 SER HA 17 PRO HG2 4.79 (#peak 913 #SUP 1.00)
&rst
ixpk= 913, nxpk= 0, iat= 217, 230, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 16 SER HA 17 PRO HG3 4.59 (#peak 922 #SUP 1.00)
&rst
ixpk= 922, nxpk= 0, iat= 217, 231, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 16 SER HA 18 GLU- HN 4.19 (#peak 1216 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1216, nxpk= 0, iat= 217, 240, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 16 SER HA 18 GLU- QG 5.34 (#peak 1219)
&rst
ixpk= 1219, nxpk= 0, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 247, 248,
&end
#
# 16 SER HA 19 GLU- HB2 5.33 (#peak 1221 #SUP 1.00)
&rst
ixpk= 1221, nxpk= 0, iat= 217, 259, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 16 SER HA 20 LEU QD1 4.40 (#peak 1194 #SUP 0.31 #QF 0.31)
&rst
ixpk= 1194, nxpk= 0, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 279, 280, 281,
&end
#
# 16 SER HB2 17 PRO HD2 3.58 (#peak 721 #SUP 0.95 #QF 0.95)
&rst
ixpk= 721, nxpk= 0, iat= 219, 227, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 16 SER HB2 18 GLU- HN 3.80 (#peak 717 #SUP 0.98 #QF 0.98)
&rst
ixpk= 717, nxpk= 0, iat= 219, 240, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 16 SER HB2 19 GLU- HB2 4.02 (#peak 720 #SUP 0.99 #QF 0.99)
&rst
ixpk= 720, nxpk= 0, iat= 219, 259, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 16 SER HB2 19 GLU- HG2 4.36 (#peak 722 #SUP 0.94 #QF 0.94)
&rst
ixpk= 722, nxpk= 0, iat= 219, 262, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 16 SER HB2 19 GLU- HG3 4.36 (#peak 723 #SUP 0.54 #QF 0.54)
&rst
ixpk= 723, nxpk= 0, iat= 219, 263, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 16 SER HB2 19 GLU- HN 4.26 (#peak 718 #SUP 0.98 #QF 0.98)
&rst
ixpk= 718, nxpk= 0, iat= 219, 255, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 16 SER HB2 19 GLU- QG 3.78 (#peak 723)
&rst
ixpk= 723, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 262, 263,
&end
#
# 16 SER HB3 17 PRO HD2 2.93 (#peak 706 #SUP 1.00)
&rst
ixpk= 706, nxpk= 0, iat= 220, 227, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 16 SER HB3 17 PRO HD3 3.73 (#peak 1593 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1593, nxpk= 0, iat= 220, 228, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 16 SER HB3 17 PRO HG2 4.12 (#peak 707 #SUP 0.92 #QF 0.92)
&rst
ixpk= 707, nxpk= 0, iat= 220, 230, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 16 SER HB3 18 GLU- HN 3.44 (#peak 704 #SUP 0.99 #QF 0.99)
&rst
ixpk= 704, nxpk= 0, iat= 220, 240, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 16 SER HB3 19 GLU- HB2 4.33 (#peak 708 #SUP 1.00)
&rst
ixpk= 708, nxpk= 0, iat= 220, 259, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 16 SER HB3 19 GLU- HN 3.70 (#peak 194 #SUP 0.68 #QF 0.68)
&rst
ixpk= 194, nxpk= 0, iat= 220, 255, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 16 SER HB3 19 GLU- QG 4.19 (#peak 710)
&rst
ixpk= 710, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 262, 263,
&end
#
# 16 SER HB3 20 LEU QD1 5.50 (#peak 2610 #SUP 0.93 #QF 0.82)
&rst
ixpk= 2610, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 279, 280, 281,
&end
#
# 16 SER HN 16 SER HB2 2.97 (#peak 352 #SUP 0.99 #QF 0.99)
&rst
ixpk= 352, nxpk= 0, iat= 215, 219, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 16 SER HN 16 SER HB3 3.39 (#peak 703 #SUP 0.99 #QF 0.99)
&rst
ixpk= 703, nxpk= 0, iat= 215, 220, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 16 SER HN 17 PRO HD2 4.81 (#peak 353 #SUP 1.00)
&rst
ixpk= 353, nxpk= 0, iat= 215, 227, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 16 SER HN 18 GLU- HN 4.82 (#peak 346 #SUP 0.86 #QF 0.86)
&rst
ixpk= 346, nxpk= 0, iat= 215, 240, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 16 SER HN 19 GLU- HB2 3.17 (#peak 355 #SUP 1.00)
&rst
ixpk= 355, nxpk= 0, iat= 215, 259, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 16 SER HN 19 GLU- HB3 4.11 (#peak 771 #SUP 1.00)
&rst
ixpk= 771, nxpk= 0, iat= 215, 260, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 16 SER HN 19 GLU- HN 3.81 (#peak 348 #SUP 0.99 #QF 0.99)
&rst
ixpk= 348, nxpk= 0, iat= 215, 255, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 16 SER HN 19 GLU- QG 2.76 (#peak 354)
&rst
ixpk= 354, nxpk= 0, iat= 215, -1, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,
igr2= 262, 263,
&end
#
# 16 SER HN 20 LEU HN 4.53 (#peak 170 #SUP 1.00)
&rst
ixpk= 170, nxpk= 0, iat= 215, 270, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 16 SER HN 20 LEU QD1 4.11 (#peak 1171 #SUP 0.83 #QF 0.83)
&rst
ixpk= 1171, nxpk= 0, iat= 215, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 279, 280, 281,
&end
#
# 17 PRO HA 18 GLU- HN 3.49 (#peak 410 #SUP 0.94 #QF 0.94)
&rst
ixpk= 410, nxpk= 0, iat= 236, 240, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 17 PRO HA 20 LEU HB2 4.19 (#peak 341 #SUP 0.98 #QF 0.98)
&rst
ixpk= 341, nxpk= 0, iat= 236, 274, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 17 PRO HA 20 LEU HN 4.33 (#peak 580 #SUP 0.99 #QF 0.99)
&rst
ixpk= 580, nxpk= 0, iat= 236, 270, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 17 PRO HA 20 LEU QD1 3.01 (#peak 587 #SUP 0.72 #QF 0.72)
&rst
ixpk= 587, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2= 279, 280, 281,
&end
#
# 17 PRO HA 21 LYS+ HN 4.51 (#peak 581 #SUP 0.97 #QF 0.97)
&rst
ixpk= 581, nxpk= 0, iat= 236, 289, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 17 PRO HB2 18 GLU- HA 4.46 (#peak 646 #SUP 1.00)
&rst
ixpk= 646, nxpk= 0, iat= 233, 242, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 17 PRO HB2 18 GLU- HN 3.77 (#peak 644 #SUP 1.00)
&rst
ixpk= 644, nxpk= 0, iat= 233, 240, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 17 PRO HB3 18 GLU- HN 4.47 (#peak 639 #SUP 1.00)
&rst
ixpk= 639, nxpk= 0, iat= 234, 240, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 17 PRO HB3 20 LEU QD1 4.66 (#peak 643 #SUP 0.98 #QF 0.98)
&rst
ixpk= 643, nxpk= 0, iat= 234, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 279, 280, 281,
&end
#
# 17 PRO HD2 18 GLU- HN 3.16 (#peak 421 #SUP 0.98 #QF 0.98)
&rst
ixpk= 421, nxpk= 0, iat= 227, 240, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 17 PRO HD2 18 GLU- QG 4.38 (#peak 1600)
&rst
ixpk= 1600, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 247, 248,
&end
#
# 17 PRO HD3 18 GLU- HN 3.97 (#peak 1591 #SUP 1.00)
&rst
ixpk= 1591, nxpk= 0, iat= 228, 240, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 17 PRO HG2 18 GLU- HN 3.46 (#peak 423 #SUP 0.90 #QF 0.90)
&rst
ixpk= 423, nxpk= 0, iat= 230, 240, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 17 PRO HG2 18 GLU- QG 3.59 (#peak 916)
&rst
ixpk= 916, nxpk= 0, iat= 230, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 247, 248,
&end
#
# 17 PRO HG3 18 GLU- HN 4.28 (#peak 2526 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2526, nxpk= 0, iat= 231, 240, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 18 GLU- HA 18 GLU- HG2 3.86 (#peak 488 #SUP 0.99 #QF 0.99)
&rst
ixpk= 488, nxpk= 0, iat= 242, 247, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 18 GLU- HA 18 GLU- HG3 3.86 (#peak 490 #SUP 1.00)
&rst
ixpk= 490, nxpk= 0, iat= 242, 248, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 18 GLU- HA 18 GLU- QB 2.53 (#peak 1019)
&rst
ixpk= 1019, nxpk= 0, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34,
igr2= 244, 245,
&end
#
# 18 GLU- HA 20 LEU HN 4.94 (#peak 1015 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1015, nxpk= 0, iat= 242, 270, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 18 GLU- HA 21 LYS+ HB2 3.13 (#peak 1020 #SUP 0.42 #QF 0.42)
&rst
ixpk= 1020, nxpk= 0, iat= 242, 293, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 18 GLU- HA 21 LYS+ HN 3.98 (#peak 1017 #SUP 0.78 #QF 0.78)
&rst
ixpk= 1017, nxpk= 0, iat= 242, 289, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 18 GLU- HA 22 ALA QB 4.39 (#peak 1021 #SUP 0.57 #QF 0.57)
&rst
ixpk= 1021, nxpk= 0, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 315, 316, 317,
&end
#
# 18 GLU- HB2 19 GLU- HN 4.88 (#peak 827 #SUP 0.86 #QF 0.57)
&rst
ixpk= 827, nxpk= 0, iat= 244, 255, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 18 GLU- HB3 19 GLU- HN 4.88 (#peak 827 #SUP 0.86 #QF 0.57)
&rst
ixpk= 827, nxpk= 0, iat= 245, 255, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 18 GLU- HN 18 GLU- HA 2.93 (#peak 411 #SUP 1.00)
&rst
ixpk= 411, nxpk= 0, iat= 240, 242, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 18 GLU- HN 18 GLU- QB 2.72 (#peak 424)
&rst
ixpk= 424, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,
igr2= 244, 245,
&end
#
# 18 GLU- HN 18 GLU- QG 2.95 (#peak 422)
&rst
ixpk= 422, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr2= 247, 248,
&end
#
# 18 GLU- HN 19 GLU- HB2 4.74 (#peak 2334 #SUP 0.53 #QF 0.53)
&rst
ixpk= 2334, nxpk= 0, iat= 240, 259, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 18 GLU- HN 19 GLU- HN 2.89 (#peak 200 #SUP 1.00)
&rst
ixpk= 200, nxpk= 0, iat= 240, 255, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 18 GLU- HN 20 LEU HN 4.57 (#peak 171 #SUP 0.99 #QF 0.99)
&rst
ixpk= 171, nxpk= 0, iat= 240, 270, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 18 GLU- QB 19 GLU- HN 4.26 (#peak 827)
&rst
ixpk= 827, nxpk= 0, iat= -1, 255, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 244, 245,
&end
#
# 19 GLU- HA 19 GLU- HB3 2.74 (#peak 1087 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1087, nxpk= 0, iat= 257, 260, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24, &end
#
# 19 GLU- HA 19 GLU- HG2 3.71 (#peak 459 #SUP 0.98 #QF 0.98)
&rst
ixpk= 459, nxpk= 0, iat= 257, 262, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 19 GLU- HA 19 GLU- HG3 3.71 (#peak 469 #SUP 1.00)
&rst
ixpk= 469, nxpk= 0, iat= 257, 263, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 19 GLU- HA 19 GLU- QG 2.97 (#peak 459)
&rst
ixpk= 459, nxpk= 0, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr2= 262, 263,
&end
#
# 19 GLU- HA 22 ALA QB 3.21 (#peak 1097 #SUP 0.67 #QF 0.59)
&rst
ixpk= 1097, nxpk= 0, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 315, 316, 317,
&end
#
# 19 GLU- HB2 20 LEU HN 3.21 (#peak 177 #SUP 0.97 #QF 0.97)
&rst
ixpk= 177, nxpk= 0, iat= 259, 270, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 19 GLU- HB3 20 LEU HA 4.48 (#peak 2524 #SUP 0.86 #QF 0.86)
&rst
ixpk= 2524, nxpk= 0, iat= 260, 272, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 19 GLU- HB3 20 LEU HG 4.35 (#peak 765 #SUP 1.00)
&rst
ixpk= 765, nxpk= 0, iat= 260, 277, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 19 GLU- HB3 20 LEU HN 3.04 (#peak 176 #SUP 0.98 #QF 0.98)
&rst
ixpk= 176, nxpk= 0, iat= 260, 270, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 19 GLU- HG2 20 LEU HN 4.85 (#peak 457 #SUP 0.90 #QF 0.90)
&rst
ixpk= 457, nxpk= 0, iat= 262, 270, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 19 GLU- HG3 20 LEU HN 4.85 (#peak 468 #SUP 0.97 #QF 0.97)
&rst
ixpk= 468, nxpk= 0, iat= 263, 270, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 19 GLU- HN 19 GLU- HA 2.91 (#peak 201 #SUP 0.70 #QF 0.70)
&rst
ixpk= 201, nxpk= 0, iat= 255, 257, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 19 GLU- HN 19 GLU- HB2 2.75 (#peak 196 #SUP 0.93 #QF 0.93)
&rst
ixpk= 196, nxpk= 0, iat= 255, 259, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25, &end
#
# 19 GLU- HN 19 GLU- HB3 3.73 (#peak 772 #SUP 0.99 #QF 0.99)
&rst
ixpk= 772, nxpk= 0, iat= 255, 260, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 19 GLU- HN 19 GLU- QG 3.31 (#peak 458)
&rst
ixpk= 458, nxpk= 0, iat= 255, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 262, 263,
&end
#
# 19 GLU- HN 20 LEU HB2 5.12 (#peak 202 #SUP 0.93 #QF 0.93)
&rst
ixpk= 202, nxpk= 0, iat= 255, 274, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 19 GLU- HN 20 LEU HG 5.37 (#peak 197 #SUP 0.69 #QF 0.56)
&rst
ixpk= 197, nxpk= 0, iat= 255, 277, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 19 GLU- HN 20 LEU HN 2.79 (#peak 172 #SUP 0.98 #QF 0.98)
&rst
ixpk= 172, nxpk= 0, iat= 255, 270, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29, &end
#
# 19 GLU- HN 20 LEU QD1 4.25 (#peak 198 #SUP 0.75 #QF 0.75)
&rst
ixpk= 198, nxpk= 0, iat= 255, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 279, 280, 281,
&end
#
# 19 GLU- HN 21 LYS+ HB2 5.02 (#peak 199 #SUP 0.36 #QF 0.36)
&rst
ixpk= 199, nxpk= 0, iat= 255, 293, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 19 GLU- HN 22 ALA QB 4.68 (#peak 203 #SUP 0.77 #QF 0.77)
&rst
ixpk= 203, nxpk= 0, iat= 255, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 315, 316, 317,
&end
#
# 19 GLU- QG 20 LEU HN 4.21 (#peak 457)
&rst
ixpk= 457, nxpk= 0, iat= -1, 270, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 262, 263,
&end
#
# 19 GLU- QG 22 ALA QB 4.80 (#peak 460)
&rst
ixpk= 460, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 262, 263,
igr2= 315, 316, 317,
&end
#
# 20 LEU HA 20 LEU HB3 2.92 (#peak 1201 #SUP 1.00 #QF 0.97)
&rst
ixpk= 1201, nxpk= 0, iat= 272, 275, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 20 LEU HA 20 LEU HG 3.19 (#peak 1045 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1045, nxpk= 0, iat= 272, 277, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 20 LEU HA 20 LEU QD2 3.05 (#peak 1178 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1178, nxpk= 0, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2= 283, 284, 285,
&end
#
# 20 LEU HB2 20 LEU QD1 2.68 (#peak 343 #SUP 0.95 #QF 0.95)
&rst
ixpk= 343, nxpk= 0, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,
igr2= 279, 280, 281,
&end
#
# 20 LEU HB2 21 LYS+ HN 2.93 (#peak 235 #SUP 0.96 #QF 0.96)
&rst
ixpk= 235, nxpk= 0, iat= 274, 289, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 20 LEU HB3 20 LEU QD2 2.60 (#peak 2525 #SUP 0.86 #QF 0.86)
&rst
ixpk= 2525, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr2= 283, 284, 285,
&end
#
# 20 LEU HB3 21 LYS+ HN 3.83 (#peak 345 #SUP 1.00)
&rst
ixpk= 345, nxpk= 0, iat= 275, 289, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 20 LEU HG 21 LYS+ HN 4.68 (#peak 1044 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1044, nxpk= 0, iat= 277, 289, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 20 LEU HN 20 LEU HA 2.92 (#peak 175 #SUP 0.93 #QF 0.93)
&rst
ixpk= 175, nxpk= 0, iat= 270, 272, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 20 LEU HN 20 LEU HB2 2.65 (#peak 179 #SUP 0.98 #QF 0.98)
&rst
ixpk= 179, nxpk= 0, iat= 270, 274, r1= 1.30, r2= 1.80, r3= 2.65, r4= 3.15, &end
#
# 20 LEU HN 20 LEU HB3 3.69 (#peak 344 #SUP 0.91 #QF 0.91)
&rst
ixpk= 344, nxpk= 0, iat= 270, 275, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 20 LEU HN 20 LEU HG 2.59 (#peak 180 #SUP 0.91 #QF 0.91)
&rst
ixpk= 180, nxpk= 0, iat= 270, 277, r1= 1.30, r2= 1.80, r3= 2.59, r4= 3.09, &end
#
# 20 LEU HN 20 LEU QD1 3.01 (#peak 181 #SUP 0.91 #QF 0.91)
&rst
ixpk= 181, nxpk= 0, iat= 270, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2= 279, 280, 281,
&end
#
# 20 LEU HN 20 LEU QD2 3.98 (#peak 2529 #SUP 0.52 #QF 0.52)
&rst
ixpk= 2529, nxpk= 0, iat= 270, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 283, 284, 285,
&end
#
# 20 LEU HN 21 LYS+ HN 2.89 (#peak 233 #SUP 0.98 #QF 0.98)
&rst
ixpk= 233, nxpk= 0, iat= 270, 289, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 20 LEU HN 22 ALA HN 4.03 (#peak 733 #SUP 0.45 #QF 0.45)
&rst
ixpk= 733, nxpk= 0, iat= 270, 311, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 20 LEU QD1 21 LYS+ HN 3.69 (#peak 1173 #SUP 0.77 #QF 0.77)
&rst
ixpk= 1173, nxpk= 0, iat= -1, 289, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 279, 280, 281,
&end
#
# 21 LYS+ HA 21 LYS+ HB3 2.82 (#peak 611 #SUP 0.95 #QF 0.95)
&rst
ixpk= 611, nxpk= 0, iat= 291, 294, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, &end
#
# 21 LYS+ HA 21 LYS+ HD2 2.97 (#peak 1097 #SUP 0.67 #QF 0.59)
&rst
ixpk= 1097, nxpk= 0, iat= 291, 299, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 21 LYS+ HA 21 LYS+ HD3 3.38 (#peak 1182 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1182, nxpk= 0, iat= 291, 300, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 21 LYS+ HA 21 LYS+ HE2 5.50 (#peak 1986 #SUP 0.92 #QF 0.52)
&rst
ixpk= 1986, nxpk= 0, iat= 291, 302, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 LYS+ HA 21 LYS+ HE3 5.50 (#peak 1986 #SUP 0.92 #QF 0.52)
&rst
ixpk= 1986, nxpk= 0, iat= 291, 303, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 LYS+ HA 21 LYS+ HG3 3.11 (#peak 864 #SUP 0.96 #QF 0.96)
&rst
ixpk= 864, nxpk= 0, iat= 291, 297, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 21 LYS+ HB2 21 LYS+ HD3 2.89 (#peak 2523 #SUP 0.55 #QF 0.55)
&rst
ixpk= 2523, nxpk= 0, iat= 293, 300, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 21 LYS+ HB2 21 LYS+ HE2 5.50 (#peak 612 #SUP 0.99 #QF 0.85)
&rst
ixpk= 612, nxpk= 0, iat= 293, 302, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 LYS+ HB2 21 LYS+ HE3 5.50 (#peak 612 #SUP 0.99 #QF 0.85)
&rst
ixpk= 612, nxpk= 0, iat= 293, 303, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 LYS+ HB2 21 LYS+ QE 4.77 (#peak 612)
&rst
ixpk= 612, nxpk= 0, iat= 293, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 302, 303,
&end
#
# 21 LYS+ HB2 22 ALA HN 3.46 (#peak 139 #SUP 0.63 #QF 0.63)
&rst
ixpk= 139, nxpk= 0, iat= 293, 311, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 21 LYS+ HN 21 LYS+ HA 2.89 (#peak 222 #SUP 0.97 #QF 0.97)
&rst
ixpk= 222, nxpk= 0, iat= 289, 291, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 21 LYS+ HN 21 LYS+ HB2 2.44 (#peak 234 #SUP 0.88 #QF 0.88)
&rst
ixpk= 234, nxpk= 0, iat= 289, 293, r1= 1.30, r2= 1.80, r3= 2.44, r4= 2.94, &end
#
# 21 LYS+ HN 21 LYS+ HD2 3.53 (#peak 1183 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1183, nxpk= 0, iat= 289, 299, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 21 LYS+ HN 21 LYS+ HD3 3.49 (#peak 1181 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1181, nxpk= 0, iat= 289, 300, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 21 LYS+ HN 21 LYS+ HG2 4.52 (#peak 841 #SUP 1.00)
&rst
ixpk= 841, nxpk= 0, iat= 289, 296, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 21 LYS+ HN 21 LYS+ HG3 4.86 (#peak 841 #SUP 1.00)
&rst
ixpk= 841, nxpk= 0, iat= 289, 297, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 22 ALA HA 25 ARG+ QB 3.80 (#peak 1445)
&rst
ixpk= 1445, nxpk= 0, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 346, 347,
&end
#
# 22 ALA HA 25 ARG+ QG 4.95 (#peak 1446)
&rst
ixpk= 1446, nxpk= 0, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 349, 350,
&end
#
# 22 ALA HN 22 ALA QB 2.49 (#peak 141 #SUP 0.63 #QF 0.63)
&rst
ixpk= 141, nxpk= 0, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,
igr2= 315, 316, 317,
&end
#
# 23 ALA HN 23 ALA QB 2.40 (#peak 211 #SUP 0.59 #QF 0.59)
&rst
ixpk= 211, nxpk= 0, iat= 321, -1, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
igr2= 325, 326, 327,
&end
#
# 23 ALA QB 24 SER HA 4.02 (#peak 1042 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1042, nxpk= 0, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 325, 326, 327,
&end
#
# 23 ALA QB 24 SER HB2 3.85 (#peak 653 #SUP 0.70 #QF 0.70)
&rst
ixpk= 653, nxpk= 0, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 325, 326, 327,
&end
#
# 23 ALA QB 24 SER HN 2.77 (#peak 1575 #SUP 0.88 #QF 0.78)
&rst
ixpk= 1575, nxpk= 0, iat= -1, 331, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr1= 325, 326, 327,
&end
#
# 24 SER HA 25 ARG+ HN 3.57 (#peak 189 #SUP 0.50 #QF 0.50)
&rst
ixpk= 189, nxpk= 0, iat= 333, 342, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 24 SER HB3 25 ARG+ HN 3.57 (#peak 190 #SUP 0.62 #QF 0.62)
&rst
ixpk= 190, nxpk= 0, iat= 336, 342, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 24 SER HB3 25 ARG+ QB 4.88 (#peak 2269)
&rst
ixpk= 2269, nxpk= 0, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 346, 347,
&end
#
# 24 SER HN 24 SER HB2 3.10 (#peak 488 #SUP 0.88 #QF 0.70)
&rst
ixpk= 488, nxpk= 0, iat= 331, 335, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 24 SER HN 24 SER HB3 3.43 (#peak 488 #SUP 0.88 #QF 0.70)
&rst
ixpk= 488, nxpk= 0, iat= 331, 336, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 24 SER HN 25 ARG+ HN 3.41 (#peak 188 #SUP 0.67 #QF 0.67)
&rst
ixpk= 188, nxpk= 0, iat= 331, 342, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 24 SER HN 25 ARG+ QB 4.71 (#peak 489)
&rst
ixpk= 489, nxpk= 0, iat= 331, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2= 346, 347,
&end
#
# 25 ARG+ HA 25 ARG+ HD2 3.73 (#peak 248 #SUP 0.49 #QF 0.29)
&rst
ixpk= 248, nxpk= 0, iat= 344, 352, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 25 ARG+ HA 25 ARG+ HD3 3.73 (#peak 248 #SUP 0.49 #QF 0.29)
&rst
ixpk= 248, nxpk= 0, iat= 344, 353, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 25 ARG+ HA 25 ARG+ HG2 3.70 (#peak 997 #SUP 0.99 #QF 0.99)
&rst
ixpk= 997, nxpk= 0, iat= 344, 349, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 25 ARG+ HA 25 ARG+ HG3 3.70 (#peak 1003 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1003, nxpk= 0, iat= 344, 350, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 25 ARG+ HA 25 ARG+ QD 3.19 (#peak 248)
&rst
ixpk= 248, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2= 352, 353,
&end
#
# 25 ARG+ HA 25 ARG+ QG 3.14 (#peak 997)
&rst
ixpk= 997, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2= 349, 350,
&end
#
# 25 ARG+ HB2 25 ARG+ HD2 4.21 (#peak 743 #SUP 0.99 #QF 0.95)
&rst
ixpk= 743, nxpk= 0, iat= 346, 352, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 25 ARG+ HB2 25 ARG+ HD3 4.21 (#peak 743 #SUP 0.99 #QF 0.95)
&rst
ixpk= 743, nxpk= 0, iat= 346, 353, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 25 ARG+ HB2 26 GLY HN 3.96 (#peak 528 #SUP 0.97 #QF 0.97)
&rst
ixpk= 528, nxpk= 0, iat= 346, 366, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 25 ARG+ HB3 25 ARG+ HD2 4.21 (#peak 249 #SUP 0.97 #QF 0.90)
&rst
ixpk= 249, nxpk= 0, iat= 347, 352, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 25 ARG+ HB3 25 ARG+ HD3 4.21 (#peak 249 #SUP 0.97 #QF 0.90)
&rst
ixpk= 249, nxpk= 0, iat= 347, 353, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 25 ARG+ HB3 26 GLY HN 3.96 (#peak 533 #SUP 0.95 #QF 0.95)
&rst
ixpk= 533, nxpk= 0, iat= 347, 366, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 25 ARG+ HN 25 ARG+ HB2 3.38 (#peak 185 #SUP 0.71 #QF 0.71)
&rst
ixpk= 185, nxpk= 0, iat= 342, 346, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 25 ARG+ HN 25 ARG+ HB3 3.38 (#peak 186 #SUP 0.82 #QF 0.82)
&rst
ixpk= 186, nxpk= 0, iat= 342, 347, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 25 ARG+ HN 25 ARG+ HD2 5.50 (#peak 245 #SUP 0.97 #QF 0.88)
&rst
ixpk= 245, nxpk= 0, iat= 342, 352, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 ARG+ HN 25 ARG+ HD3 5.50 (#peak 245 #SUP 0.97 #QF 0.88)
&rst
ixpk= 245, nxpk= 0, iat= 342, 353, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 ARG+ HN 25 ARG+ HG2 4.80 (#peak 996 #SUP 0.99 #QF 0.99)
&rst
ixpk= 996, nxpk= 0, iat= 342, 349, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 25 ARG+ HN 25 ARG+ HG3 4.80 (#peak 1001 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1001, nxpk= 0, iat= 342, 350, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 25 ARG+ HN 25 ARG+ QB 2.65 (#peak 186)
&rst
ixpk= 186, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr2= 346, 347,
&end
#
# 25 ARG+ HN 25 ARG+ QG 4.17 (#peak 996)
&rst
ixpk= 996, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 349, 350,
&end
#
# 25 ARG+ QB 25 ARG+ QD 3.18 (#peak 249)
&rst
ixpk= 249, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1= 346, 347,
igr2= 352, 353,
&end
#
# 25 ARG+ QB 25 ARG+ QG 2.35 (#peak 2387)
&rst
ixpk= 2387, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,
igr1= 346, 347,
igr2= 349, 350,
&end
#
# 25 ARG+ QB 26 GLY HN 3.46 (#peak 528)
&rst
ixpk= 528, nxpk= 0, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1= 346, 347,
&end
#
# 25 ARG+ QG 26 GLY HN 4.68 (#peak 529)
&rst
ixpk= 529, nxpk= 0, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 349, 350,
&end
#
# 26 GLY HA3 27 ASN HN 3.10 (#peak 380 #SUP 0.65 #QF 0.65)
&rst
ixpk= 380, nxpk= 0, iat= 369, 373, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 26 GLY HA3 27 ASN QB 5.34 (#peak 1934)
&rst
ixpk= 1934, nxpk= 0, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 377, 378,
&end
#
# 27 ASN HA 27 ASN QD2 4.06 (#peak 500)
&rst
ixpk= 500, nxpk= 0, iat= 375, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 382, 383,
&end
#
# 27 ASN HB2 28 GLY HN 4.24 (#peak 750 #SUP 0.43 #QF 0.43)
&rst
ixpk= 750, nxpk= 0, iat= 377, 387, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 27 ASN HB3 28 GLY HN 4.24 (#peak 407 #SUP 1.00)
&rst
ixpk= 407, nxpk= 0, iat= 378, 387, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 27 ASN HN 27 ASN HB2 4.04 (#peak 404 #SUP 0.99 #QF 0.96)
&rst
ixpk= 404, nxpk= 0, iat= 373, 377, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 27 ASN HN 27 ASN HB3 4.04 (#peak 381 #SUP 0.83 #QF 0.83)
&rst
ixpk= 381, nxpk= 0, iat= 373, 378, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 27 ASN HN 27 ASN QB 3.35 (#peak 381)
&rst
ixpk= 381, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 377, 378,
&end
#
# 27 ASN QB 27 ASN QD2 2.79 (#peak 502)
&rst
ixpk= 502, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr1= 377, 378,
igr2= 382, 383,
&end
#
# 27 ASN QB 28 GLY HN 3.61 (#peak 750)
&rst
ixpk= 750, nxpk= 0, iat= -1, 387, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 377, 378,
&end
#
# 27 ASN QB 28 GLY QA 5.18 (#peak 1934)
&rst
ixpk= 1934, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 377, 378,
igr2= 389, 390,
&end
#
# 28 GLY HN 29 GLU- HA 5.39 (#peak 2381 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2381, nxpk= 0, iat= 387, 396, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 28 GLY HN 29 GLU- HB2 4.51 (#peak 739 #SUP 0.56 #QF 0.56)
&rst
ixpk= 739, nxpk= 0, iat= 387, 398, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 28 GLY HN 29 GLU- HB3 5.38 (#peak 732 #SUP 0.78 #QF 0.78)
&rst
ixpk= 732, nxpk= 0, iat= 387, 399, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 28 GLY HN 29 GLU- HN 3.41 (#peak 749 #SUP 0.94 #QF 0.94)
&rst
ixpk= 749, nxpk= 0, iat= 387, 394, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 28 GLY HN 96 ILE QD1 4.41 (#peak 185 #SUP 0.99 #QF 0.29)
&rst
ixpk= 185, nxpk= 0, iat= 387, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1551,1552,1553,
&end
#
# 28 GLY HN 96 ILE QG2 3.27 (#peak 1650 #SUP 0.68 #QF 0.68)
&rst
ixpk= 1650, nxpk= 0, iat= 387, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1544,1545,1546,
&end
#
# 28 GLY QA 29 GLU- HA 4.47 (#peak 1925)
&rst
ixpk= 1925, nxpk= 0, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 389, 390,
&end
#
# 28 GLY QA 29 GLU- HN 2.99 (#peak 280)
&rst
ixpk= 280, nxpk= 0, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 389, 390,
&end
#
# 29 GLU- HA 29 GLU- HG2 3.77 (#peak 495 #SUP 0.99 #QF 0.99)
&rst
ixpk= 495, nxpk= 0, iat= 396, 401, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 29 GLU- HA 29 GLU- HG3 3.77 (#peak 1315 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1315, nxpk= 0, iat= 396, 402, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 29 GLU- HA 29 GLU- QG 3.16 (#peak 495)
&rst
ixpk= 495, nxpk= 0, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 401, 402,
&end
#
# 29 GLU- HA 30 TYR HB3 4.70 (#peak 1926 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1926, nxpk= 0, iat= 396, 414, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 29 GLU- HA 30 TYR HN 3.23 (#peak 369 #SUP 0.99 #QF 0.99)
&rst
ixpk= 369, nxpk= 0, iat= 396, 409, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 29 GLU- HA 30 TYR QD 4.13 (#peak 1313 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1313, nxpk= 0, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 417, 426,
&end
#
# 29 GLU- HA 96 ILE QD1 4.79 (#peak 190 #SUP 0.97 #QF 0.97)
&rst
ixpk= 190, nxpk= 0, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=1551,1552,1553,
&end
#
# 29 GLU- HA 96 ILE QG2 4.43 (#peak 1656 #SUP 1.00)
&rst
ixpk= 1656, nxpk= 0, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1544,1545,1546,
&end
#
# 29 GLU- HA 97 ILE HB 4.92 (#peak 2259 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2259, nxpk= 0, iat= 396,1561, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 29 GLU- HA 97 ILE QD1 4.09 (#peak 145 #SUP 0.98 #QF 0.98)
&rst
ixpk= 145, nxpk= 0, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1570,1571,1572,
&end
#
# 29 GLU- HB2 30 TYR HN 3.91 (#peak 383 #SUP 0.99 #QF 0.99)
&rst
ixpk= 383, nxpk= 0, iat= 398, 409, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 29 GLU- HB2 30 TYR QD 5.32 (#peak 1929 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1929, nxpk= 0, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 417, 426,
&end
#
# 29 GLU- HB2 96 ILE QD1 4.84 (#peak 196 #SUP 1.00)
&rst
ixpk= 196, nxpk= 0, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=1551,1552,1553,
&end
#
# 29 GLU- HB2 96 ILE QG2 4.00 (#peak 1661 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1661, nxpk= 0, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1544,1545,1546,
&end
#
# 29 GLU- HB2 97 ILE HB 4.24 (#peak 424 #SUP 0.81 #QF 0.81)
&rst
ixpk= 424, nxpk= 0, iat= 398,1561, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 29 GLU- HB2 97 ILE QD1 3.67 (#peak 150 #SUP 0.99 #QF 0.99)
&rst
ixpk= 150, nxpk= 0, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1570,1571,1572,
&end
#
# 29 GLU- HB2 99 ILE QD1 4.35 (#peak 180 #SUP 0.63 #QF 0.63)
&rst
ixpk= 180, nxpk= 0, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1601,1602,1603,
&end
#
# 29 GLU- HB3 29 GLU- HG2 2.97 (#peak 496 #SUP 0.98 #QF 0.98)
&rst
ixpk= 496, nxpk= 0, iat= 399, 401, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 29 GLU- HB3 29 GLU- HG3 2.97 (#peak 502 #SUP 0.98 #QF 0.98)
&rst
ixpk= 502, nxpk= 0, iat= 399, 402, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 29 GLU- HB3 30 TYR HN 3.82 (#peak 382 #SUP 0.99 #QF 0.99)
&rst
ixpk= 382, nxpk= 0, iat= 399, 409, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 29 GLU- HB3 30 TYR QD 4.56 (#peak 1928 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1928, nxpk= 0, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 417, 426,
&end
#
# 29 GLU- HB3 96 ILE HA 4.75 (#peak 1931 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1931, nxpk= 0, iat= 399,1540, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 29 GLU- HB3 96 ILE QD1 4.12 (#peak 195 #SUP 0.99 #QF 0.99)
&rst
ixpk= 195, nxpk= 0, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1551,1552,1553,
&end
#
# 29 GLU- HB3 96 ILE QG2 3.83 (#peak 1660 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1660, nxpk= 0, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1544,1545,1546,
&end
#
# 29 GLU- HB3 97 ILE HB 4.30 (#peak 421 #SUP 0.91 #QF 0.91)
&rst
ixpk= 421, nxpk= 0, iat= 399,1561, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 29 GLU- HB3 97 ILE HG13 4.55 (#peak 2300 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2300, nxpk= 0, iat= 399,1568, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 29 GLU- HB3 97 ILE QD1 3.37 (#peak 149 #SUP 0.99 #QF 0.99)
&rst
ixpk= 149, nxpk= 0, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=1570,1571,1572,
&end
#
# 29 GLU- HB3 97 ILE QG2 3.93 (#peak 1681 #SUP 1.00)
&rst
ixpk= 1681, nxpk= 0, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1563,1564,1565,
&end
#
# 29 GLU- HB3 99 ILE QD1 4.53 (#peak 179 #SUP 0.99 #QF 0.99)
&rst
ixpk= 179, nxpk= 0, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1601,1602,1603,
&end
#
# 29 GLU- HG2 30 TYR HN 4.09 (#peak 494 #SUP 0.99 #QF 0.99)
&rst
ixpk= 494, nxpk= 0, iat= 401, 409, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 29 GLU- HG2 97 ILE QD1 4.12 (#peak 492 #SUP 0.99 #QF 0.99)
&rst
ixpk= 492, nxpk= 0, iat= 401, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1570,1571,1572,
&end
#
# 29 GLU- HG2 97 ILE QG2 5.00 (#peak 498 #SUP 0.83 #QF 0.46)
&rst
ixpk= 498, nxpk= 0, iat= 401, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1563,1564,1565,
&end
#
# 29 GLU- HG2 99 ILE QD1 4.24 (#peak 177 #SUP 0.97 #QF 0.97)
&rst
ixpk= 177, nxpk= 0, iat= 401, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=1601,1602,1603,
&end
#
# 29 GLU- HG3 30 TYR HN 4.09 (#peak 501 #SUP 0.99 #QF 0.99)
&rst
ixpk= 501, nxpk= 0, iat= 402, 409, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 29 GLU- HG3 97 ILE QD1 4.12 (#peak 148 #SUP 0.98 #QF 0.98)
&rst
ixpk= 148, nxpk= 0, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1570,1571,1572,
&end
#
# 29 GLU- HG3 97 ILE QG2 5.00 (#peak 500 #SUP 0.96 #QF 0.89)
&rst
ixpk= 500, nxpk= 0, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1563,1564,1565,
&end
#
# 29 GLU- HG3 99 ILE QD1 4.24 (#peak 178 #SUP 0.75 #QF 0.75)
&rst
ixpk= 178, nxpk= 0, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=1601,1602,1603,
&end
#
# 29 GLU- HN 29 GLU- HB2 3.31 (#peak 277 #SUP 0.98 #QF 0.98)
&rst
ixpk= 277, nxpk= 0, iat= 394, 398, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 29 GLU- HN 29 GLU- HB3 3.35 (#peak 276 #SUP 0.99 #QF 0.99)
&rst
ixpk= 276, nxpk= 0, iat= 394, 399, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 29 GLU- HN 29 GLU- QG 4.46 (#peak 493)
&rst
ixpk= 493, nxpk= 0, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 401, 402,
&end
#
# 29 GLU- HN 30 TYR QD 5.09 (#peak 275 #SUP 0.85 #QF 0.85)
&rst
ixpk= 275, nxpk= 0, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr2= 417, 426,
&end
#
# 29 GLU- HN 96 ILE QD1 4.48 (#peak 186 #SUP 0.98 #QF 0.98)
&rst
ixpk= 186, nxpk= 0, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1551,1552,1553,
&end
#
# 29 GLU- HN 96 ILE QG2 3.33 (#peak 1651 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1651, nxpk= 0, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1544,1545,1546,
&end
#
# 29 GLU- HN 97 ILE HN 5.05 (#peak 57 #SUP 1.00 #QF 0.92)
&rst
ixpk= 57, nxpk= 0, iat= 394,1557, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 29 GLU- QG 30 TYR QD 4.54 (#peak 1932)
&rst
ixpk= 1932, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 401, 402,
igr2= 417, 426,
&end
#
# 29 GLU- QG 97 ILE QD1 3.48 (#peak 148)
&rst
ixpk= 148, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 401, 402,
igr2=1570,1571,1572,
&end
#
# 29 GLU- QG 97 ILE QG2 4.37 (#peak 498)
&rst
ixpk= 498, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1= 401, 402,
igr2=1563,1564,1565,
&end
#
# 30 TYR HA 30 TYR QD 4.41 (#peak 2044 #SUP 0.62 #QF 0.62)
&rst
ixpk= 2044, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 417, 426,
&end
#
# 30 TYR HA 31 ALA QB 3.97 (#peak 1362 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1362, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 434, 435, 436,
&end
#
# 30 TYR HA 96 ILE HA 3.93 (#peak 894 #SUP 0.80 #QF 0.80)
&rst
ixpk= 894, nxpk= 0, iat= 411,1540, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 30 TYR HA 96 ILE HB 5.32 (#peak 2258 #SUP 0.91 #QF 0.91)
&rst
ixpk= 2258, nxpk= 0, iat= 411,1542, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 30 TYR HA 96 ILE HG12 4.71 (#peak 2297 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2297, nxpk= 0, iat= 411,1548, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 30 TYR HA 96 ILE QD1 3.89 (#peak 189 #SUP 0.98 #QF 0.98)
&rst
ixpk= 189, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1551,1552,1553,
&end
#
# 30 TYR HA 96 ILE QG2 3.75 (#peak 1654 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1654, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=1544,1545,1546,
&end
#
# 30 TYR HA 97 ILE HN 4.53 (#peak 2041 #SUP 0.51 #QF 0.51)
&rst
ixpk= 2041, nxpk= 0, iat= 411,1557, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 30 TYR HA 97 ILE QD1 4.08 (#peak 143 #SUP 0.96 #QF 0.96)
&rst
ixpk= 143, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2=1570,1571,1572,
&end
#
# 30 TYR HB2 31 ALA HN 4.20 (#peak 85 #SUP 0.84 #QF 0.84)
&rst
ixpk= 85, nxpk= 0, iat= 413, 430, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 30 TYR HB3 31 ALA HN 4.25 (#peak 84 #SUP 0.99 #QF 0.99)
&rst
ixpk= 84, nxpk= 0, iat= 414, 430, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 30 TYR HB3 96 ILE HA 4.53 (#peak 361 #SUP 0.48 #QF 0.48)
&rst
ixpk= 361, nxpk= 0, iat= 414,1540, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 30 TYR HB3 96 ILE QD1 4.05 (#peak 192 #SUP 0.98 #QF 0.98)
&rst
ixpk= 192, nxpk= 0, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1551,1552,1553,
&end
#
# 30 TYR HB3 96 ILE QG2 4.58 (#peak 1658 #SUP 1.00)
&rst
ixpk= 1658, nxpk= 0, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1544,1545,1546,
&end
#
# 30 TYR HB3 97 ILE QD1 4.83 (#peak 2238 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2238, nxpk= 0, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1570,1571,1572,
&end
#
# 30 TYR HN 30 TYR HB2 4.17 (#peak 370 #SUP 0.98 #QF 0.98)
&rst
ixpk= 370, nxpk= 0, iat= 409, 413, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 30 TYR HN 30 TYR QD 3.62 (#peak 367 #SUP 0.85 #QF 0.85)
&rst
ixpk= 367, nxpk= 0, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 417, 426,
&end
#
# 30 TYR HN 30 TYR QE 4.73 (#peak 1917 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1917, nxpk= 0, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 419, 424,
&end
#
# 30 TYR HN 31 ALA HN 4.50 (#peak 366 #SUP 0.99 #QF 0.99)
&rst
ixpk= 366, nxpk= 0, iat= 409, 430, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 TYR HN 97 ILE QD1 4.73 (#peak 653 #SUP 0.99 #QF 0.91)
&rst
ixpk= 653, nxpk= 0, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1570,1571,1572,
&end
#
# 30 TYR QD 31 ALA HA 4.77 (#peak 1907 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1907, nxpk= 0, iat= -1, 432, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 417, 426,
&end
#
# 30 TYR QD 31 ALA HN 4.14 (#peak 82 #SUP 0.87 #QF 0.87)
&rst
ixpk= 82, nxpk= 0, iat= -1, 430, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 417, 426,
&end
#
# 30 TYR QD 32 TRP HD1 4.02 (#peak 38 #SUP 0.75 #QF 0.67)
&rst
ixpk= 38, nxpk= 0, iat= -1, 448, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 417, 426,
&end
#
# 30 TYR QD 32 TRP HE1 4.50 (#peak 644 #SUP 0.79 #QF 0.79)
&rst
ixpk= 644, nxpk= 0, iat= -1, 450, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 417, 426,
&end
#
# 30 TYR QD 32 TRP HN 4.96 (#peak 640 #SUP 0.77 #QF 0.77)
&rst
ixpk= 640, nxpk= 0, iat= -1, 440, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 417, 426,
&end
#
# 30 TYR QD 48 SER QB 5.34 (#peak 2283)
&rst
ixpk= 2283, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 417, 426,
igr2= 728, 729,
&end
#
# 30 TYR QD 96 ILE HA 5.50 (#peak 2242 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2242, nxpk= 0, iat= -1,1540, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 417, 426,
&end
#
# 30 TYR QE 32 TRP HD1 4.65 (#peak 74 #SUP 0.91 #QF 0.91)
&rst
ixpk= 74, nxpk= 0, iat= -1, 448, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 419, 424,
&end
#
# 30 TYR QE 52 GLU- HG2 5.42 (#peak 1919 #SUP 0.75 #QF 0.50)
&rst
ixpk= 1919, nxpk= 0, iat= -1, 800, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 419, 424,
&end
#
# 30 TYR QE 52 GLU- HG3 5.42 (#peak 1919 #SUP 0.75 #QF 0.50)
&rst
ixpk= 1919, nxpk= 0, iat= -1, 801, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 419, 424,
&end
#
# 30 TYR QE 52 GLU- QB 4.56 (#peak 1921)
&rst
ixpk= 1921, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 419, 424,
igr2= 797, 798,
&end
#
# 30 TYR QE 52 GLU- QG 4.65 (#peak 1919)
&rst
ixpk= 1919, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 419, 424,
igr2= 800, 801,
&end
#
# 31 ALA HA 32 TRP HD1 4.57 (#peak 1908 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1908, nxpk= 0, iat= 432, 448, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 31 ALA HA 32 TRP HN 3.57 (#peak 1573 #SUP 1.00)
&rst
ixpk= 1573, nxpk= 0, iat= 432, 440, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 31 ALA HA 42 GLN QG 4.60 (#peak 1906)
&rst
ixpk= 1906, nxpk= 0, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 628, 629,
&end
#
# 31 ALA HA 97 ILE QD1 4.12 (#peak 144 #SUP 0.76 #QF 0.76)
&rst
ixpk= 144, nxpk= 0, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1570,1571,1572,
&end
#
# 31 ALA HN 31 ALA QB 3.38 (#peak 1356 #SUP 1.00)
&rst
ixpk= 1356, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 434, 435, 436,
&end
#
# 31 ALA HN 32 TRP HN 4.82 (#peak 651 #SUP 0.69 #QF 0.69)
&rst
ixpk= 651, nxpk= 0, iat= 430, 440, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 31 ALA HN 33 TYR QE 4.99 (#peak 1858 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1858, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 474, 479,
&end
#
# 31 ALA HN 94 ARG+ HA 4.65 (#peak 647 #SUP 0.45 #QF 0.45)
&rst
ixpk= 647, nxpk= 0, iat= 430,1504, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 31 ALA HN 95 ASP- HN 4.34 (#peak 81 #SUP 0.82 #QF 0.82)
&rst
ixpk= 81, nxpk= 0, iat= 430,1526, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 31 ALA HN 96 ILE HA 4.34 (#peak 748 #SUP 0.96 #QF 0.96)
&rst
ixpk= 748, nxpk= 0, iat= 430,1540, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 31 ALA HN 96 ILE QD1 4.19 (#peak 184 #SUP 0.97 #QF 0.97)
&rst
ixpk= 184, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1551,1552,1553,
&end
#
# 31 ALA HN 96 ILE QG2 5.19 (#peak 1649 #SUP 1.00)
&rst
ixpk= 1649, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2=1544,1545,1546,
&end
#
# 31 ALA HN 97 ILE HN 4.70 (#peak 728 #SUP 1.00)
&rst
ixpk= 728, nxpk= 0, iat= 430,1557, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 31 ALA HN 97 ILE QD1 4.03 (#peak 136 #SUP 0.99 #QF 0.99)
&rst
ixpk= 136, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1570,1571,1572,
&end
#
# 31 ALA QB 32 TRP HD1 4.97 (#peak 1883 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1883, nxpk= 0, iat= -1, 448, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 434, 435, 436,
&end
#
# 31 ALA QB 32 TRP HN 3.18 (#peak 1357 #SUP 0.72 #QF 0.72)
&rst
ixpk= 1357, nxpk= 0, iat= -1, 440, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 434, 435, 436,
&end
#
# 31 ALA QB 33 TYR QD 4.36 (#peak 1842 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1842, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 434, 435, 436,
igr2= 472, 481,
&end
#
# 31 ALA QB 33 TYR QE 3.21 (#peak 1361 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1361, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 434, 435, 436,
igr2= 474, 479,
&end
#
# 31 ALA QB 42 GLN HA 4.49 (#peak 1364 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1364, nxpk= 0, iat= -1, 623, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 434, 435, 436,
&end
#
# 31 ALA QB 42 GLN HE21 3.69 (#peak 2376 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2376, nxpk= 0, iat= -1, 633, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 434, 435, 436,
&end
#
# 31 ALA QB 42 GLN HE22 3.69 (#peak 1359 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1359, nxpk= 0, iat= -1, 634, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 434, 435, 436,
&end
#
# 31 ALA QB 42 GLN HG2 3.91 (#peak 2375 #SUP 0.95 #QF 0.95)
&rst
ixpk= 2375, nxpk= 0, iat= -1, 628, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 434, 435, 436,
&end
#
# 31 ALA QB 42 GLN HG3 3.91 (#peak 2374 #SUP 0.92 #QF 0.92)
&rst
ixpk= 2374, nxpk= 0, iat= -1, 629, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 434, 435, 436,
&end
#
# 31 ALA QB 42 GLN QB 4.44 (#peak 1366)
&rst
ixpk= 1366, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 434, 435, 436,
igr2= 625, 626,
&end
#
# 31 ALA QB 42 GLN QG 3.39 (#peak 2374)
&rst
ixpk= 2374, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 434, 435, 436,
igr2= 628, 629,
&end
#
# 31 ALA QB 95 ASP- HB2 4.36 (#peak 2234 #SUP 0.93 #QF 0.93)
&rst
ixpk= 2234, nxpk= 0, iat= -1,1530, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 434, 435, 436,
&end
#
# 31 ALA QB 95 ASP- HB3 3.99 (#peak 1365 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1365, nxpk= 0, iat= -1,1531, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 434, 435, 436,
&end
#
# 31 ALA QB 95 ASP- HN 4.25 (#peak 2377 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2377, nxpk= 0, iat= -1,1526, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 434, 435, 436,
&end
#
# 31 ALA QB 96 ILE HA 4.26 (#peak 1355 #SUP 0.78 #QF 0.78)
&rst
ixpk= 1355, nxpk= 0, iat= -1,1540, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 434, 435, 436,
&end
#
# 31 ALA QB 97 ILE HB 4.80 (#peak 1367 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1367, nxpk= 0, iat= -1,1561, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 434, 435, 436,
&end
#
# 31 ALA QB 97 ILE HN 4.22 (#peak 1358 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1358, nxpk= 0, iat= -1,1557, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 434, 435, 436,
&end
#
# 31 ALA QB 97 ILE QD1 2.78 (#peak 154 #SUP 0.72 #QF 0.72)
&rst
ixpk= 154, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1= 434, 435, 436,
igr2=1570,1571,1572,
&end
#
# 32 TRP HA 33 TYR QD 4.63 (#peak 1870 #SUP 0.87 #QF 0.87)
&rst
ixpk= 1870, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 472, 481,
&end
#
# 32 TRP HA 43 TYR QD 4.56 (#peak 1871 #SUP 0.79 #QF 0.79)
&rst
ixpk= 1871, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 646, 655,
&end
#
# 32 TRP HA 51 LEU QD1 5.18 (#peak 1866 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1866, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2= 783, 784, 785,
&end
#
# 32 TRP HA 94 ARG+ HA 4.41 (#peak 1869 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1869, nxpk= 0, iat= 442,1504, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 32 TRP HA 95 ASP- HN 4.56 (#peak 1873 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1873, nxpk= 0, iat= 442,1526, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 32 TRP HB2 43 TYR QD 4.66 (#peak 1719 #SUP 1.00)
&rst
ixpk= 1719, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2= 646, 655,
&end
#
# 32 TRP HB2 51 LEU QD1 4.01 (#peak 1265 #SUP 0.87 #QF 0.87)
&rst
ixpk= 1265, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 783, 784, 785,
&end
#
# 32 TRP HB3 43 TYR QD 4.66 (#peak 1880 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1880, nxpk= 0, iat= 445, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2= 646, 655,
&end
#
# 32 TRP HB3 51 LEU QD1 4.01 (#peak 1266 #SUP 1.00 #QF 0.99)
&rst
ixpk= 1266, nxpk= 0, iat= 445, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 783, 784, 785,
&end
#
# 32 TRP HD1 48 SER HA 4.82 (#peak 1885 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1885, nxpk= 0, iat= 448, 726, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 32 TRP HD1 48 SER QB 4.74 (#peak 1694)
&rst
ixpk= 1694, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 728, 729,
&end
#
# 32 TRP HD1 51 LEU QD1 5.01 (#peak 1882 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1882, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 783, 784, 785,
&end
#
# 32 TRP HD1 52 GLU- HN 4.62 (#peak 814 #SUP 0.55 #QF 0.55)
&rst
ixpk= 814, nxpk= 0, iat= 448, 793, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 32 TRP HE1 52 GLU- HA 4.24 (#peak 1070 #SUP 0.71 #QF 0.71)
&rst
ixpk= 1070, nxpk= 0, iat= 450, 795, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 32 TRP HE1 52 GLU- HB2 4.66 (#peak 6 #SUP 0.62 #QF 0.62)
&rst
ixpk= 6, nxpk= 0, iat= 450, 797, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 32 TRP HE1 52 GLU- HB3 4.66 (#peak 643 #SUP 0.86 #QF 0.86)
&rst
ixpk= 643, nxpk= 0, iat= 450, 798, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 32 TRP HE1 52 GLU- HG2 5.50 (#peak 807 #SUP 0.78 #QF 0.56)
&rst
ixpk= 807, nxpk= 0, iat= 450, 800, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 TRP HE1 52 GLU- HG3 5.50 (#peak 807 #SUP 0.78 #QF 0.56)
&rst
ixpk= 807, nxpk= 0, iat= 450, 801, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 TRP HE1 52 GLU- HN 4.57 (#peak 658 #SUP 0.93 #QF 0.93)
&rst
ixpk= 658, nxpk= 0, iat= 450, 793, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 32 TRP HE1 52 GLU- QB 4.02 (#peak 6)
&rst
ixpk= 6, nxpk= 0, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2= 797, 798,
&end
#
# 32 TRP HE1 52 GLU- QG 4.64 (#peak 807)
&rst
ixpk= 807, nxpk= 0, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 800, 801,
&end
#
# 32 TRP HE3 43 TYR QD 4.33 (#peak 10 #SUP 0.91 #QF 0.91)
&rst
ixpk= 10, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 646, 655,
&end
#
# 32 TRP HE3 51 LEU QD1 3.97 (#peak 1263 #SUP 1.00 #QF 0.99)
&rst
ixpk= 1263, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 783, 784, 785,
&end
#
# 32 TRP HE3 51 LEU QD2 5.32 (#peak 1951 #SUP 0.98 #QF 0.69)
&rst
ixpk= 1951, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2= 787, 788, 789,
&end
#
# 32 TRP HE3 73 ALA QB 5.12 (#peak 57 #SUP 0.79 #QF 0.79)
&rst
ixpk= 57, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2=1129,1130,1131,
&end
#
# 32 TRP HE3 92 ILE HB 4.74 (#peak 2181 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2181, nxpk= 0, iat= 459,1465, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 32 TRP HE3 92 ILE QG2 4.23 (#peak 56 #SUP 0.87 #QF 0.87)
&rst
ixpk= 56, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1467,1468,1469,
&end
#
# 32 TRP HE3 93 LYS+ HN 4.56 (#peak 54 #SUP 0.69 #QF 0.69)
&rst
ixpk= 54, nxpk= 0, iat= 459,1480, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 32 TRP HE3 94 ARG+ HG2 4.95 (#peak 2229 #SUP 0.75 #QF 0.75)
&rst
ixpk= 2229, nxpk= 0, iat= 459,1509, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 32 TRP HE3 94 ARG+ HG3 4.95 (#peak 2232 #SUP 0.58 #QF 0.58)
&rst
ixpk= 2232, nxpk= 0, iat= 459,1510, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 32 TRP HH2 55 PHE QB 5.34 (#peak 2589)
&rst
ixpk= 2589, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 834, 835,
&end
#
# 32 TRP HH2 55 PHE QD 4.90 (#peak 2535 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2535, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 838, 846,
&end
#
# 32 TRP HH2 75 LEU QD1 4.09 (#peak 1153 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1153, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1156,1157,1158,
&end
#
# 32 TRP HH2 75 LEU QD2 4.09 (#peak 1319 #SUP 0.66 #QF 0.66)
&rst
ixpk= 1319, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1160,1161,1162,
&end
#
# 32 TRP HH2 75 LEU QQD 3.20 (#peak 1319)
&rst
ixpk= 1319, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=1156,1157,1158,1160,1161,1162,
&end
#
# 32 TRP HH2 78 MET QE 2.79 (#peak 1638 #SUP 0.58 #QF 0.58)
&rst
ixpk= 1638, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,
igr2=1206,1207,1208,
&end
#
# 32 TRP HN 32 TRP HD1 4.57 (#peak 1887 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1887, nxpk= 0, iat= 440, 448, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 32 TRP HN 43 TYR QB 5.03 (#peak 272)
&rst
ixpk= 272, nxpk= 0, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr2= 642, 643,
&end
#
# 32 TRP HN 43 TYR QD 4.57 (#peak 641 #SUP 0.80 #QF 0.80)
&rst
ixpk= 641, nxpk= 0, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 646, 655,
&end
#
# 32 TRP HN 48 SER QB 4.17 (#peak 679)
&rst
ixpk= 679, nxpk= 0, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 728, 729,
&end
#
# 32 TRP HZ2 52 GLU- HA 4.54 (#peak 1957 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1957, nxpk= 0, iat= 453, 795, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 32 TRP HZ2 55 PHE HN 5.06 (#peak 1894 #SUP 0.88 #QF 0.88)
&rst
ixpk= 1894, nxpk= 0, iat= 453, 830, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 32 TRP HZ2 55 PHE QB 4.74 (#peak 1890)
&rst
ixpk= 1890, nxpk= 0, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 834, 835,
&end
#
# 32 TRP HZ2 55 PHE QD 4.46 (#peak 20 #SUP 0.96 #QF 0.63)
&rst
ixpk= 20, nxpk= 0, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 838, 846,
&end
#
# 32 TRP HZ2 75 LEU HG 5.27 (#peak 2440 #SUP 0.99 #QF 0.34)
&rst
ixpk= 2440, nxpk= 0, iat= 453,1154, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 32 TRP HZ2 75 LEU QD1 4.75 (#peak 1170 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1170, nxpk= 0, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=1156,1157,1158,
&end
#
# 32 TRP HZ2 75 LEU QD2 4.75 (#peak 1888 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1888, nxpk= 0, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=1160,1161,1162,
&end
#
# 32 TRP HZ2 94 ARG+ QD 5.13 (#peak 1889)
&rst
ixpk= 1889, nxpk= 0, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1512,1513,
&end
#
# 32 TRP HZ3 51 LEU QD1 4.94 (#peak 1899 #SUP 0.87 #QF 0.87)
&rst
ixpk= 1899, nxpk= 0, iat= 457, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 783, 784, 785,
&end
#
# 32 TRP HZ3 51 LEU QD2 5.34 (#peak 2596 #SUP 0.93 #QF 0.74)
&rst
ixpk= 2596, nxpk= 0, iat= 457, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr2= 787, 788, 789,
&end
#
# 32 TRP HZ3 75 LEU QQD 3.50 (#peak 2627)
&rst
ixpk= 2627, nxpk= 0, iat= 457, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1156,1157,1158,1160,1161,1162,
&end
#
# 32 TRP HZ3 78 MET QE 2.84 (#peak 1637 #SUP 0.71 #QF 0.71)
&rst
ixpk= 1637, nxpk= 0, iat= 457, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr2=1206,1207,1208,
&end
#
# 32 TRP HZ3 92 ILE QD1 3.88 (#peak 112 #SUP 0.86 #QF 0.86)
&rst
ixpk= 112, nxpk= 0, iat= 457, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1474,1475,1476,
&end
#
# 32 TRP HZ3 92 ILE QG2 5.17 (#peak 1901 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1901, nxpk= 0, iat= 457, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2=1467,1468,1469,
&end
#
# 32 TRP QB 48 SER QB 4.46 (#peak 2282)
&rst
ixpk= 2282, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 444, 445,
igr2= 728, 729,
&end
#
# 32 TRP QB 51 LEU QD1 3.36 (#peak 1265)
&rst
ixpk= 1265, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 444, 445,
igr2= 783, 784, 785,
&end
#
# 33 TYR HA 33 TYR QD 4.64 (#peak 1836 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1836, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 472, 481,
&end
#
# 33 TYR HA 41 TRP HN 4.91 (#peak 583 #SUP 0.89 #QF 0.89)
&rst
ixpk= 583, nxpk= 0, iat= 466, 597, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 33 TYR HA 42 GLN HA 4.45 (#peak 1835 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1835, nxpk= 0, iat= 466, 623, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 33 TYR HA 42 GLN HG2 5.05 (#peak 1833 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1833, nxpk= 0, iat= 466, 628, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 33 TYR HA 42 GLN HG3 5.05 (#peak 1831 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1831, nxpk= 0, iat= 466, 629, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 33 TYR HA 42 GLN HN 4.85 (#peak 571 #SUP 0.99 #QF 0.99)
&rst
ixpk= 571, nxpk= 0, iat= 466, 621, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 33 TYR HA 42 GLN QG 4.42 (#peak 1831)
&rst
ixpk= 1831, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 628, 629,
&end
#
# 33 TYR HA 43 TYR HN 4.60 (#peak 566 #SUP 0.99 #QF 0.99)
&rst
ixpk= 566, nxpk= 0, iat= 466, 638, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 33 TYR HB2 34 TYR HN 4.60 (#peak 442 #SUP 1.00 #QF 0.93)
&rst
ixpk= 442, nxpk= 0, iat= 468, 485, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 33 TYR HB2 40 TRP HE3 5.15 (#peak 2370 #SUP 0.90 #QF 0.90)
&rst
ixpk= 2370, nxpk= 0, iat= 468, 592, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 33 TYR HB3 34 TYR HN 4.60 (#peak 625 #SUP 0.99 #QF 0.99)
&rst
ixpk= 625, nxpk= 0, iat= 469, 485, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 33 TYR HB3 40 TRP HE3 5.15 (#peak 1784 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1784, nxpk= 0, iat= 469, 592, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 33 TYR HN 33 TYR QD 4.16 (#peak 245 #SUP 0.94 #QF 0.94)
&rst
ixpk= 245, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 472, 481,
&end
#
# 33 TYR HN 33 TYR QE 5.31 (#peak 1860 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1860, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2= 474, 479,
&end
#
# 33 TYR HN 43 TYR QD 4.57 (#peak 637 #SUP 0.84 #QF 0.84)
&rst
ixpk= 637, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 646, 655,
&end
#
# 33 TYR HN 93 LYS+ HN 4.33 (#peak 244 #SUP 0.90 #QF 0.90)
&rst
ixpk= 244, nxpk= 0, iat= 464,1480, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 33 TYR HN 94 ARG+ HA 4.84 (#peak 633 #SUP 0.97 #QF 0.45)
&rst
ixpk= 633, nxpk= 0, iat= 464,1504, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 33 TYR QB 34 TYR HN 4.02 (#peak 442)
&rst
ixpk= 442, nxpk= 0, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 468, 469,
&end
#
# 33 TYR QB 40 TRP HE3 4.51 (#peak 1784)
&rst
ixpk= 1784, nxpk= 0, iat= -1, 592, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 468, 469,
&end
#
# 33 TYR QB 93 LYS+ HE2 4.51 (#peak 2203)
&rst
ixpk= 2203, nxpk= 0, iat= -1,1493, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 468, 469,
&end
#
# 33 TYR QB 93 LYS+ HE3 4.28 (#peak 2200)
&rst
ixpk= 2200, nxpk= 0, iat= -1,1494, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 468, 469,
&end
#
# 33 TYR QB 93 LYS+ HG2 4.69 (#peak 2193)
&rst
ixpk= 2193, nxpk= 0, iat= -1,1487, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 468, 469,
&end
#
# 33 TYR QB 93 LYS+ HG3 4.64 (#peak 2195)
&rst
ixpk= 2195, nxpk= 0, iat= -1,1488, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 468, 469,
&end
#
# 33 TYR QB 93 LYS+ HN 4.72 (#peak 775)
&rst
ixpk= 775, nxpk= 0, iat= -1,1480, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 468, 469,
&end
#
# 33 TYR QB 93 LYS+ QD 4.27 (#peak 2587)
&rst
ixpk= 2587, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 468, 469,
igr2=1490,1491,
&end
#
# 33 TYR QD 34 TYR HN 4.45 (#peak 630 #SUP 0.96 #QF 0.96)
&rst
ixpk= 630, nxpk= 0, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 472, 481,
&end
#
# 33 TYR QD 40 TRP HE3 4.88 (#peak 1851 #SUP 0.88 #QF 0.88)
&rst
ixpk= 1851, nxpk= 0, iat= -1, 592, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 472, 481,
&end
#
# 33 TYR QD 40 TRP HN 5.50 (#peak 597 #SUP 0.79 #QF 0.79)
&rst
ixpk= 597, nxpk= 0, iat= -1, 573, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 472, 481,
&end
#
# 33 TYR QD 40 TRP QB 4.83 (#peak 1845)
&rst
ixpk= 1845, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 472, 481,
igr2= 577, 578,
&end
#
# 33 TYR QD 41 TRP HA 5.27 (#peak 1848 #SUP 0.99 #QF 0.74)
&rst
ixpk= 1848, nxpk= 0, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 472, 481,
&end
#
# 33 TYR QD 42 GLN HA 4.77 (#peak 1847 #SUP 0.99 #QF 0.94)
&rst
ixpk= 1847, nxpk= 0, iat= -1, 623, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 472, 481,
&end
#
# 33 TYR QD 42 GLN HN 5.28 (#peak 1852 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1852, nxpk= 0, iat= -1, 621, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 472, 481,
&end
#
# 33 TYR QD 42 GLN QB 4.52 (#peak 1843)
&rst
ixpk= 1843, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 472, 481,
igr2= 625, 626,
&end
#
# 33 TYR QD 42 GLN QG 5.34 (#peak 1844)
&rst
ixpk= 1844, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 472, 481,
igr2= 628, 629,
&end
#
# 33 TYR QD 93 LYS+ HE2 4.72 (#peak 2205 #SUP 0.91 #QF 0.91)
&rst
ixpk= 2205, nxpk= 0, iat= -1,1493, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 472, 481,
&end
#
# 33 TYR QD 93 LYS+ HG2 4.81 (#peak 2190 #SUP 0.65 #QF 0.65)
&rst
ixpk= 2190, nxpk= 0, iat= -1,1487, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 472, 481,
&end
#
# 33 TYR QD 93 LYS+ HG3 4.63 (#peak 2196 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2196, nxpk= 0, iat= -1,1488, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 472, 481,
&end
#
# 33 TYR QD 93 LYS+ HN 5.20 (#peak 778 #SUP 0.87 #QF 0.87)
&rst
ixpk= 778, nxpk= 0, iat= -1,1480, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 472, 481,
&end
#
# 33 TYR QD 94 ARG+ HA 5.07 (#peak 2213 #SUP 0.87 #QF 0.87)
&rst
ixpk= 2213, nxpk= 0, iat= -1,1504, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 472, 481,
&end
#
# 33 TYR QD 95 ASP- HN 4.67 (#peak 1853 #SUP 0.99 #QF 0.97)
&rst
ixpk= 1853, nxpk= 0, iat= -1,1526, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 472, 481,
&end
#
# 33 TYR QE 42 GLN HA 4.74 (#peak 1857 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1857, nxpk= 0, iat= -1, 623, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 474, 479,
&end
#
# 33 TYR QE 42 GLN HB2 4.77 (#peak 1733 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1733, nxpk= 0, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 474, 479,
&end
#
# 33 TYR QE 42 GLN HB3 4.77 (#peak 1865 #SUP 1.00)
&rst
ixpk= 1865, nxpk= 0, iat= -1, 626, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 474, 479,
&end
#
# 33 TYR QE 42 GLN HG2 5.08 (#peak 1864 #SUP 0.84 #QF 0.84)
&rst
ixpk= 1864, nxpk= 0, iat= -1, 628, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 474, 479,
&end
#
# 33 TYR QE 42 GLN HG3 5.08 (#peak 2545 #SUP 0.86 #QF 0.86)
&rst
ixpk= 2545, nxpk= 0, iat= -1, 629, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 474, 479,
&end
#
# 33 TYR QE 42 GLN QB 4.08 (#peak 1865)
&rst
ixpk= 1865, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 474, 479,
igr2= 625, 626,
&end
#
# 33 TYR QE 93 LYS+ HE3 5.11 (#peak 2201 #SUP 0.90 #QF 0.90)
&rst
ixpk= 2201, nxpk= 0, iat= -1,1494, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 474, 479,
&end
#
# 33 TYR QE 93 LYS+ HG3 5.50 (#peak 2518 #SUP 0.69 #QF 0.69)
&rst
ixpk= 2518, nxpk= 0, iat= -1,1488, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 474, 479,
&end
#
# 33 TYR QE 95 ASP- HB2 4.09 (#peak 171 #SUP 0.97 #QF 0.97)
&rst
ixpk= 171, nxpk= 0, iat= -1,1530, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 474, 479,
&end
#
# 33 TYR QE 95 ASP- HB3 3.89 (#peak 165 #SUP 0.98 #QF 0.98)
&rst
ixpk= 165, nxpk= 0, iat= -1,1531, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 474, 479,
&end
#
# 33 TYR QE 95 ASP- HN 4.51 (#peak 1859 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1859, nxpk= 0, iat= -1,1526, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 474, 479,
&end
#
# 33 TYR QE 97 ILE QD1 4.25 (#peak 142 #SUP 0.97 #QF 0.97)
&rst
ixpk= 142, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 474, 479,
igr2=1570,1571,1572,
&end
#
# 34 TYR HA 35 GLU- QG 4.85 (#peak 1821)
&rst
ixpk= 1821, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 513, 514,
&end
#
# 34 TYR HA 40 TRP HZ3 4.79 (#peak 1825 #SUP 0.67 #QF 0.67)
&rst
ixpk= 1825, nxpk= 0, iat= 487, 590, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 34 TYR HA 92 ILE HA 4.65 (#peak 2515 #SUP 0.95 #QF 0.54)
&rst
ixpk= 2515, nxpk= 0, iat= 487,1463, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 34 TYR HA 92 ILE HB 5.14 (#peak 1822 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1822, nxpk= 0, iat= 487,1465, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 34 TYR HA 92 ILE HG13 5.50 (#peak 2482 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2482, nxpk= 0, iat= 487,1472, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 TYR HA 92 ILE QG2 4.03 (#peak 1537 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1537, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1467,1468,1469,
&end
#
# 34 TYR HA 93 LYS+ HN 4.71 (#peak 776 #SUP 0.87 #QF 0.87)
&rst
ixpk= 776, nxpk= 0, iat= 487,1480, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 34 TYR HB2 35 GLU- HN 4.77 (#peak 620 #SUP 0.76 #QF 0.76)
&rst
ixpk= 620, nxpk= 0, iat= 489, 506, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 34 TYR HB2 92 ILE QG2 4.47 (#peak 1538 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1538, nxpk= 0, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1467,1468,1469,
&end
#
# 34 TYR HB3 35 GLU- HN 4.77 (#peak 619 #SUP 0.96 #QF 0.96)
&rst
ixpk= 619, nxpk= 0, iat= 490, 506, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 34 TYR HB3 92 ILE QG2 4.47 (#peak 1829 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1829, nxpk= 0, iat= 490, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1467,1468,1469,
&end
#
# 34 TYR HN 34 TYR QD 4.45 (#peak 629 #SUP 0.99 #QF 0.99)
&rst
ixpk= 629, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 493, 502,
&end
#
# 34 TYR HN 40 TRP HA 5.17 (#peak 628 #SUP 0.98 #QF 0.83)
&rst
ixpk= 628, nxpk= 0, iat= 485, 575, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 34 TYR HN 40 TRP HE3 4.93 (#peak 631 #SUP 0.95 #QF 0.95)
&rst
ixpk= 631, nxpk= 0, iat= 485, 592, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 34 TYR HN 40 TRP QB 5.13 (#peak 626)
&rst
ixpk= 626, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 577, 578,
&end
#
# 34 TYR HN 41 TRP HB2 5.50 (#peak 626 #SUP 0.97 #QF 0.87)
&rst
ixpk= 626, nxpk= 0, iat= 485, 601, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 TYR HN 41 TRP HN 4.33 (#peak 441 #SUP 0.91 #QF 0.91)
&rst
ixpk= 441, nxpk= 0, iat= 485, 597, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 34 TYR HN 42 GLN HA 4.93 (#peak 627 #SUP 0.93 #QF 0.93)
&rst
ixpk= 627, nxpk= 0, iat= 485, 623, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 34 TYR HN 43 TYR HN 5.07 (#peak 632 #SUP 0.76 #QF 0.76)
&rst
ixpk= 632, nxpk= 0, iat= 485, 638, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 34 TYR QB 43 TYR QE 4.42 (#peak 1920)
&rst
ixpk= 1920, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 489, 490,
igr2= 648, 653,
&end
#
# 34 TYR QB 92 ILE QG2 3.88 (#peak 1538)
&rst
ixpk= 1538, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 489, 490,
igr2=1467,1468,1469,
&end
#
# 34 TYR QE 111 ATP H2 6.00
&rst
ixpk= 1538, nxpk= 0, iat= -1,1781, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 495, 500,
&end
#
# 34 TYR QE 41 TRP HB3 4.89 (#peak 2286 #SUP 0.42 #QF 0.42)
&rst
ixpk= 2286, nxpk= 0, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 495, 500,
&end
#
# 34 TYR QE 41 TRP HD1 4.65 (#peak 1753 #SUP 0.65 #QF 0.65)
&rst
ixpk= 1753, nxpk= 0, iat= -1, 605, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 495, 500,
&end
#
# 34 TYR QE 43 TYR QE 5.50 (#peak 2517 #SUP 0.77 #QF 0.59)
&rst
ixpk= 2517, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 495, 500,
igr2= 648, 653,
&end
#
# 35 GLU- HA 35 GLU- HG2 4.25 (#peak 1180 #SUP 1.00 #QF 0.96)
&rst
ixpk= 1180, nxpk= 0, iat= 508, 513, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 35 GLU- HA 35 GLU- HG3 4.25 (#peak 530 #SUP 1.00)
&rst
ixpk= 530, nxpk= 0, iat= 508, 514, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 35 GLU- HA 35 GLU- QG 3.65 (#peak 1180)
&rst
ixpk= 1180, nxpk= 0, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 513, 514,
&end
#
# 35 GLU- HA 40 TRP HA 4.42 (#peak 1806 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1806, nxpk= 0, iat= 508, 575, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 35 GLU- HA 40 TRP HE3 4.89 (#peak 1807 #SUP 0.87 #QF 0.87)
&rst
ixpk= 1807, nxpk= 0, iat= 508, 592, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 35 GLU- HA 41 TRP HN 4.55 (#peak 1809 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1809, nxpk= 0, iat= 508, 597, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 35 GLU- HG2 40 TRP HZ2 4.76 (#peak 86 #SUP 0.98 #QF 0.93)
&rst
ixpk= 86, nxpk= 0, iat= 513, 586, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 35 GLU- HG3 40 TRP HZ2 4.76 (#peak 1771 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1771, nxpk= 0, iat= 514, 586, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 35 GLU- HN 35 GLU- HG2 4.96 (#peak 1816 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1816, nxpk= 0, iat= 506, 513, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 35 GLU- HN 35 GLU- HG3 4.96 (#peak 617 #SUP 0.96 #QF 0.96)
&rst
ixpk= 617, nxpk= 0, iat= 506, 514, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 35 GLU- HN 35 GLU- QB 3.58 (#peak 124)
&rst
ixpk= 124, nxpk= 0, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 510, 511,
&end
#
# 35 GLU- HN 35 GLU- QG 4.31 (#peak 1816)
&rst
ixpk= 1816, nxpk= 0, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 513, 514,
&end
#
# 35 GLU- HN 40 TRP HZ3 4.60 (#peak 623 #SUP 0.97 #QF 0.97)
&rst
ixpk= 623, nxpk= 0, iat= 506, 590, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 35 GLU- HN 91 LYS+ HN 4.67 (#peak 624 #SUP 0.87 #QF 0.87)
&rst
ixpk= 624, nxpk= 0, iat= 506,1439, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 35 GLU- HN 92 ILE HA 4.80 (#peak 622 #SUP 0.88 #QF 0.88)
&rst
ixpk= 622, nxpk= 0, iat= 506,1463, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 35 GLU- HN 92 ILE QG2 4.02 (#peak 1542 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1542, nxpk= 0, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1467,1468,1469,
&end
#
# 35 GLU- QB 36 GLY HA2 5.34 (#peak 2365)
&rst
ixpk= 2365, nxpk= 0, iat= -1, 523, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 510, 511,
&end
#
# 35 GLU- QB 91 LYS+ HN 3.59 (#peak 144)
&rst
ixpk= 144, nxpk= 0, iat= -1,1439, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 510, 511,
&end
#
# 35 GLU- QG 36 GLY HN 4.26 (#peak 1815)
&rst
ixpk= 1815, nxpk= 0, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 513, 514,
&end
#
# 35 GLU- QG 40 TRP HE1 4.39 (#peak 601)
&rst
ixpk= 601, nxpk= 0, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 513, 514,
&end
#
# 35 GLU- QG 40 TRP HZ2 4.02 (#peak 86)
&rst
ixpk= 86, nxpk= 0, iat= -1, 586, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 513, 514,
&end
#
# 35 GLU- QG 40 TRP HZ3 5.16 (#peak 1777)
&rst
ixpk= 1777, nxpk= 0, iat= -1, 590, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 513, 514,
&end
#
# 35 GLU- QG 91 LYS+ HN 4.32 (#peak 1818)
&rst
ixpk= 1818, nxpk= 0, iat= -1,1439, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 513, 514,
&end
#
# 36 GLY HA2 37 ARG+ QB 5.34 (#peak 2365)
&rst
ixpk= 2365, nxpk= 0, iat= 523, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 532, 533,
&end
#
# 36 GLY HA2 38 ASN HN 4.95 (#peak 1800 #SUP 0.42 #QF 0.42)
&rst
ixpk= 1800, nxpk= 0, iat= 523, 552, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 36 GLY HA2 41 TRP HD1 4.61 (#peak 1752 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1752, nxpk= 0, iat= 523, 605, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 36 GLY HA2 41 TRP HE1 5.17 (#peak 2364 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2364, nxpk= 0, iat= 523, 607, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 36 GLY HA3 41 TRP HD1 4.34 (#peak 35 #SUP 0.99 #QF 0.99)
&rst
ixpk= 35, nxpk= 0, iat= 524, 605, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 36 GLY HA3 41 TRP HE1 4.35 (#peak 15 #SUP 0.98 #QF 0.98)
&rst
ixpk= 15, nxpk= 0, iat= 524, 607, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 36 GLY HN 39 GLY HN 4.39 (#peak 746 #SUP 0.35 #QF 0.35)
&rst
ixpk= 746, nxpk= 0, iat= 521, 566, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 36 GLY HN 40 TRP HA 4.18 (#peak 1237 #SUP 0.73 #QF 0.73)
&rst
ixpk= 1237, nxpk= 0, iat= 521, 575, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 36 GLY HN 41 TRP HD1 4.44 (#peak 1755 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1755, nxpk= 0, iat= 521, 605, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 36 GLY HN 41 TRP HE1 5.31 (#peak 594 #SUP 0.97 #QF 0.97)
&rst
ixpk= 594, nxpk= 0, iat= 521, 607, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 36 GLY HN 41 TRP HN 4.58 (#peak 615 #SUP 0.95 #QF 0.95)
&rst
ixpk= 615, nxpk= 0, iat= 521, 597, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 37 ARG+ HA 37 ARG+ HD2 5.43 (#peak 1073 #SUP 0.98 #QF 0.80)
&rst
ixpk= 1073, nxpk= 0, iat= 530, 538, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 37 ARG+ HA 37 ARG+ HD3 5.43 (#peak 1073 #SUP 0.98 #QF 0.80)
&rst
ixpk= 1073, nxpk= 0, iat= 530, 539, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 37 ARG+ HA 37 ARG+ QD 4.64 (#peak 1073)
&rst
ixpk= 1073, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 538, 539,
&end
#
# 37 ARG+ HA 38 ASN HA 4.83 (#peak 1792 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1792, nxpk= 0, iat= 530, 554, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 37 ARG+ HA 39 GLY HN 5.17 (#peak 1798 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1798, nxpk= 0, iat= 530, 566, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 37 ARG+ HB2 38 ASN HN 4.25 (#peak 793 #SUP 0.91 #QF 0.91)
&rst
ixpk= 793, nxpk= 0, iat= 532, 552, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 37 ARG+ HB3 38 ASN HN 4.25 (#peak 797 #SUP 0.89 #QF 0.89)
&rst
ixpk= 797, nxpk= 0, iat= 533, 552, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 37 ARG+ QB 37 ARG+ QD 3.26 (#peak 799)
&rst
ixpk= 799, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 532, 533,
igr2= 538, 539,
&end
#
# 37 ARG+ QB 38 ASN HA 4.62 (#peak 1793)
&rst
ixpk= 1793, nxpk= 0, iat= -1, 554, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 532, 533,
&end
#
# 37 ARG+ QB 38 ASN HN 3.73 (#peak 797)
&rst
ixpk= 797, nxpk= 0, iat= -1, 552, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 532, 533,
&end
#
# 37 ARG+ QB 39 GLY HN 5.14 (#peak 602)
&rst
ixpk= 602, nxpk= 0, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 532, 533,
&end
#
# 37 ARG+ QB 41 TRP HD1 5.34 (#peak 1751)
&rst
ixpk= 1751, nxpk= 0, iat= -1, 605, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 532, 533,
&end
#
# 37 ARG+ QB 41 TRP HE1 4.63 (#peak 589)
&rst
ixpk= 589, nxpk= 0, iat= -1, 607, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 532, 533,
&end
#
# 37 ARG+ QG 38 ASN HN 4.16 (#peak 984)
&rst
ixpk= 984, nxpk= 0, iat= -1, 552, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 535, 536,
&end
#
# 38 ASN HA 38 ASN QD2 4.13 (#peak 610)
&rst
ixpk= 610, nxpk= 0, iat= 554, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 561, 562,
&end
#
# 38 ASN HA 39 GLY HA2 5.39 (#peak 2361 #SUP 0.99 #QF 0.86)
&rst
ixpk= 2361, nxpk= 0, iat= 554, 568, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 38 ASN HA 39 GLY HA3 5.39 (#peak 2512 #SUP 0.93 #QF 0.93)
&rst
ixpk= 2512, nxpk= 0, iat= 554, 569, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 38 ASN HA 39 GLY QA 4.54 (#peak 2512)
&rst
ixpk= 2512, nxpk= 0, iat= 554, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 568, 569,
&end
#
# 38 ASN HA 41 TRP HE1 4.64 (#peak 592 #SUP 0.91 #QF 0.91)
&rst
ixpk= 592, nxpk= 0, iat= 554, 607, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 38 ASN HB2 38 ASN HD21 4.01 (#peak 497 #SUP 0.96 #QF 0.96)
&rst
ixpk= 497, nxpk= 0, iat= 556, 561, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 38 ASN HB2 38 ASN HD22 4.01 (#peak 747 #SUP 0.89 #QF 0.89)
&rst
ixpk= 747, nxpk= 0, iat= 556, 562, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 38 ASN HB2 39 GLY HN 4.22 (#peak 547 #SUP 0.99 #QF 0.99)
&rst
ixpk= 547, nxpk= 0, iat= 556, 566, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 38 ASN HB2 41 TRP HZ2 5.10 (#peak 1759 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1759, nxpk= 0, iat= 556, 610, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 38 ASN HB3 38 ASN HD21 4.01 (#peak 498 #SUP 0.97 #QF 0.97)
&rst
ixpk= 498, nxpk= 0, iat= 557, 561, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 38 ASN HB3 38 ASN HD22 4.01 (#peak 499 #SUP 0.99 #QF 0.99)
&rst
ixpk= 499, nxpk= 0, iat= 557, 562, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 38 ASN HB3 39 GLY HN 4.22 (#peak 548 #SUP 0.99 #QF 0.99)
&rst
ixpk= 548, nxpk= 0, iat= 557, 566, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 38 ASN HB3 41 TRP HZ2 5.10 (#peak 1758 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1758, nxpk= 0, iat= 557, 610, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 38 ASN HN 39 GLY HN 3.74 (#peak 745 #SUP 0.91 #QF 0.91)
&rst
ixpk= 745, nxpk= 0, iat= 552, 566, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 38 ASN HN 41 TRP HE1 4.63 (#peak 593 #SUP 0.81 #QF 0.81)
&rst
ixpk= 593, nxpk= 0, iat= 552, 607, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 38 ASN QB 38 ASN QD2 2.91 (#peak 498)
&rst
ixpk= 498, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr1= 556, 557,
igr2= 561, 562,
&end
#
# 38 ASN QB 41 TRP HE1 4.59 (#peak 588)
&rst
ixpk= 588, nxpk= 0, iat= -1, 607, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 556, 557,
&end
#
# 38 ASN QB 41 TRP HZ2 4.48 (#peak 1758)
&rst
ixpk= 1758, nxpk= 0, iat= -1, 610, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 556, 557,
&end
#
# 39 GLY HA2 40 TRP HA 5.50 (#peak 2361 #SUP 0.99 #QF 0.86)
&rst
ixpk= 2361, nxpk= 0, iat= 568, 575, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 GLY HA2 40 TRP HD1 4.76 (#peak 2360 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2360, nxpk= 0, iat= 568, 581, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 39 GLY HA2 40 TRP HN 3.24 (#peak 318 #SUP 0.95 #QF 0.95)
&rst
ixpk= 318, nxpk= 0, iat= 568, 573, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 39 GLY HA3 40 TRP HA 5.50 (#peak 1790 #SUP 1.00 #QF 0.98)
&rst
ixpk= 1790, nxpk= 0, iat= 569, 575, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 GLY HA3 40 TRP HD1 4.76 (#peak 1789 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1789, nxpk= 0, iat= 569, 581, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 39 GLY HA3 40 TRP HN 3.24 (#peak 315 #SUP 0.94 #QF 0.94)
&rst
ixpk= 315, nxpk= 0, iat= 569, 573, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 39 GLY HN 40 TRP HN 4.42 (#peak 744 #SUP 0.96 #QF 0.96)
&rst
ixpk= 744, nxpk= 0, iat= 566, 573, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 39 GLY HN 41 TRP HE1 4.41 (#peak 13 #SUP 0.98 #QF 0.98)
&rst
ixpk= 13, nxpk= 0, iat= 566, 607, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 39 GLY HN 41 TRP HZ2 4.11 (#peak 87 #SUP 0.82 #QF 0.82)
&rst
ixpk= 87, nxpk= 0, iat= 566, 610, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 40 TRP HA 40 TRP HD1 5.08 (#peak 1767 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1767, nxpk= 0, iat= 575, 581, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 40 TRP HA 40 TRP HE3 4.56 (#peak 2354 #SUP 0.99 #QF 0.81)
&rst
ixpk= 2354, nxpk= 0, iat= 575, 592, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 40 TRP HA 41 TRP HD1 5.29 (#peak 2355 #SUP 0.63 #QF 0.63)
&rst
ixpk= 2355, nxpk= 0, iat= 575, 605, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 40 TRP HD1 93 LYS+ HE2 5.50 (#peak 2204 #SUP 0.98 #QF 0.51)
&rst
ixpk= 2204, nxpk= 0, iat= 581,1493, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 TRP HE1 93 LYS+ HE2 5.03 (#peak 598 #SUP 0.83 #QF 0.83)
&rst
ixpk= 598, nxpk= 0, iat= 583,1493, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 40 TRP HE1 93 LYS+ QD 5.34 (#peak 599)
&rst
ixpk= 599, nxpk= 0, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1490,1491,
&end
#
# 40 TRP HE3 41 TRP HN 5.11 (#peak 585 #SUP 0.97 #QF 0.76)
&rst
ixpk= 585, nxpk= 0, iat= 592, 597, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 40 TRP HE3 93 LYS+ HE2 5.50 (#peak 2204 #SUP 0.98 #QF 0.51)
&rst
ixpk= 2204, nxpk= 0, iat= 592,1493, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 TRP HE3 93 LYS+ HE3 4.93 (#peak 2202 #SUP 0.75 #QF 0.75)
&rst
ixpk= 2202, nxpk= 0, iat= 592,1494, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 40 TRP HE3 93 LYS+ HN 5.35 (#peak 1788 #SUP 0.94 #QF 0.71)
&rst
ixpk= 1788, nxpk= 0, iat= 592,1480, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 40 TRP HH2 91 LYS+ HB2 4.45 (#peak 2462 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2462, nxpk= 0, iat= 588,1443, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 40 TRP HH2 91 LYS+ HB3 4.45 (#peak 1776 #SUP 1.00 #QF 0.74)
&rst
ixpk= 1776, nxpk= 0, iat= 588,1444, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 40 TRP HH2 91 LYS+ HE2 4.83 (#peak 322 #SUP 0.93 #QF 0.59)
&rst
ixpk= 322, nxpk= 0, iat= 588,1452, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 40 TRP HH2 91 LYS+ HE3 4.83 (#peak 322 #SUP 0.93 #QF 0.59)
&rst
ixpk= 322, nxpk= 0, iat= 588,1453, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 40 TRP HH2 91 LYS+ QB 3.77 (#peak 1776)
&rst
ixpk= 1776, nxpk= 0, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=1443,1444,
&end
#
# 40 TRP HH2 91 LYS+ QD 4.08 (#peak 851)
&rst
ixpk= 851, nxpk= 0, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1449,1450,
&end
#
# 40 TRP HH2 91 LYS+ QE 4.23 (#peak 322)
&rst
ixpk= 322, nxpk= 0, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2=1452,1453,
&end
#
# 40 TRP HH2 91 LYS+ QG 4.35 (#peak 2643)
&rst
ixpk= 2643, nxpk= 0, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1446,1447,
&end
#
# 40 TRP HH2 92 ILE HN 4.79 (#peak 715 #SUP 0.56 #QF 0.56)
&rst
ixpk= 715, nxpk= 0, iat= 588,1461, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 40 TRP HN 40 TRP HD1 3.51 (#peak 316 #SUP 0.95 #QF 0.95)
&rst
ixpk= 316, nxpk= 0, iat= 573, 581, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 40 TRP HN 40 TRP HE1 4.56 (#peak 8 #SUP 0.98 #QF 0.98)
&rst
ixpk= 8, nxpk= 0, iat= 573, 583, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 40 TRP HN 40 TRP QB 3.32 (#peak 319)
&rst
ixpk= 319, nxpk= 0, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 577, 578,
&end
#
# 40 TRP HN 41 TRP HN 4.61 (#peak 595 #SUP 0.96 #QF 0.96)
&rst
ixpk= 595, nxpk= 0, iat= 573, 597, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 40 TRP HZ2 91 LYS+ HE2 5.50 (#peak 324 #SUP 0.94 #QF 0.62)
&rst
ixpk= 324, nxpk= 0, iat= 586,1452, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 TRP HZ2 91 LYS+ HE3 5.50 (#peak 324 #SUP 0.94 #QF 0.62)
&rst
ixpk= 324, nxpk= 0, iat= 586,1453, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 TRP HZ2 91 LYS+ QB 4.91 (#peak 1772)
&rst
ixpk= 1772, nxpk= 0, iat= 586, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=1443,1444,
&end
#
# 40 TRP HZ2 93 LYS+ QD 4.72 (#peak 1769)
&rst
ixpk= 1769, nxpk= 0, iat= 586, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1490,1491,
&end
#
# 40 TRP HZ3 91 LYS+ HB2 5.05 (#peak 2461 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2461, nxpk= 0, iat= 590,1443, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 40 TRP HZ3 91 LYS+ HB3 5.05 (#peak 1777 #SUP 1.00 #QF 0.55)
&rst
ixpk= 1777, nxpk= 0, iat= 590,1444, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 40 TRP HZ3 91 LYS+ QB 4.43 (#peak 2461)
&rst
ixpk= 2461, nxpk= 0, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1443,1444,
&end
#
# 40 TRP HZ3 92 ILE HA 4.50 (#peak 2176 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2176, nxpk= 0, iat= 590,1463, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 40 TRP HZ3 93 LYS+ HN 4.54 (#peak 777 #SUP 0.87 #QF 0.87)
&rst
ixpk= 777, nxpk= 0, iat= 590,1480, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 40 TRP QB 40 TRP HE1 4.52 (#peak 11)
&rst
ixpk= 11, nxpk= 0, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 577, 578,
&end
#
# 41 TRP HA 41 TRP HD1 4.77 (#peak 34 #SUP 1.00)
&rst
ixpk= 34, nxpk= 0, iat= 599, 605, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 41 TRP HA 41 TRP HZ3 4.41 (#peak 1763 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1763, nxpk= 0, iat= 599, 614, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 41 TRP HA 42 GLN HB2 5.08 (#peak 1746 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1746, nxpk= 0, iat= 599, 625, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 41 TRP HA 42 GLN HB3 5.08 (#peak 1747 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1747, nxpk= 0, iat= 599, 626, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 41 TRP HA 42 GLN QB 4.32 (#peak 1747)
&rst
ixpk= 1747, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 625, 626,
&end
#
# 41 TRP HB2 42 GLN HN 4.24 (#peak 94 #SUP 0.86 #QF 0.86)
&rst
ixpk= 94, nxpk= 0, iat= 601, 621, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 41 TRP HB3 41 TRP HZ3 5.40 (#peak 1761 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1761, nxpk= 0, iat= 602, 614, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 41 TRP HB3 42 GLN HN 4.46 (#peak 570 #SUP 0.98 #QF 0.98)
&rst
ixpk= 570, nxpk= 0, iat= 602, 621, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 41 TRP HN 41 TRP HB2 4.09 (#peak 76 #SUP 0.97 #QF 0.72)
&rst
ixpk= 76, nxpk= 0, iat= 597, 601, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 41 TRP HN 41 TRP HD1 4.42 (#peak 1756 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1756, nxpk= 0, iat= 597, 605, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 41 TRP HN 41 TRP HE3 5.50 (#peak 585 #SUP 0.97 #QF 0.76)
&rst
ixpk= 585, nxpk= 0, iat= 597, 616, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 TRP HN 42 GLN HN 4.78 (#peak 574 #SUP 1.00)
&rst
ixpk= 574, nxpk= 0, iat= 597, 621, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 41 TRP HZ3 42 GLN HN 5.50 (#peak 1764 #SUP 0.87 #QF 0.87)
&rst
ixpk= 1764, nxpk= 0, iat= 614, 621, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 GLN HE21 97 ILE QD1 4.25 (#peak 141 #SUP 0.90 #QF 0.90)
&rst
ixpk= 141, nxpk= 0, iat= 633, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1570,1571,1572,
&end
#
# 42 GLN HE22 97 ILE QD1 4.25 (#peak 140 #SUP 0.90 #QF 0.90)
&rst
ixpk= 140, nxpk= 0, iat= 634, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1570,1571,1572,
&end
#
# 42 GLN HG2 43 TYR HN 4.51 (#peak 1740 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1740, nxpk= 0, iat= 628, 638, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 42 GLN HG3 43 TYR HN 4.51 (#peak 33 #SUP 1.00 #QF 0.98)
&rst
ixpk= 33, nxpk= 0, iat= 629, 638, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 42 GLN HN 42 GLN HB2 3.91 (#peak 97 #SUP 0.98 #QF 0.98)
&rst
ixpk= 97, nxpk= 0, iat= 621, 625, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 42 GLN HN 42 GLN HB3 3.91 (#peak 95 #SUP 1.00)
&rst
ixpk= 95, nxpk= 0, iat= 621, 626, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 42 GLN HN 42 GLN HG2 4.82 (#peak 569 #SUP 1.00)
&rst
ixpk= 569, nxpk= 0, iat= 621, 628, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 42 GLN HN 42 GLN HG3 4.82 (#peak 2349 #SUP 1.00)
&rst
ixpk= 2349, nxpk= 0, iat= 621, 629, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 42 GLN HN 42 GLN QB 3.35 (#peak 97)
&rst
ixpk= 97, nxpk= 0, iat= 621, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 625, 626,
&end
#
# 42 GLN HN 42 GLN QG 4.12 (#peak 569)
&rst
ixpk= 569, nxpk= 0, iat= 621, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 628, 629,
&end
#
# 42 GLN QB 42 GLN QE2 4.26 (#peak 2419)
&rst
ixpk= 2419, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 625, 626,
igr2= 633, 634,
&end
#
# 42 GLN QE2 97 ILE QD1 3.70 (#peak 141)
&rst
ixpk= 141, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 633, 634,
igr2=1570,1571,1572,
&end
#
# 42 GLN QG 43 TYR HN 3.95 (#peak 33)
&rst
ixpk= 33, nxpk= 0, iat= -1, 638, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 628, 629,
&end
#
# 43 TYR HA 43 TYR QD 4.39 (#peak 1712 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1712, nxpk= 0, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2= 646, 655,
&end
#
# 43 TYR HB2 48 SER HN 4.71 (#peak 561 #SUP 0.78 #QF 0.78)
&rst
ixpk= 561, nxpk= 0, iat= 642, 724, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 43 TYR HB3 48 SER HN 4.71 (#peak 560 #SUP 0.90 #QF 0.90)
&rst
ixpk= 560, nxpk= 0, iat= 643, 724, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 43 TYR HN 43 TYR QD 4.44 (#peak 568 #SUP 0.96 #QF 0.96)
&rst
ixpk= 568, nxpk= 0, iat= 638, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 646, 655,
&end
#
# 43 TYR QB 47 THR QG2 3.99 (#peak 1282)
&rst
ixpk= 1282, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 642, 643,
igr2= 716, 717, 718,
&end
#
# 43 TYR QB 48 SER HN 4.14 (#peak 561)
&rst
ixpk= 561, nxpk= 0, iat= -1, 724, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 642, 643,
&end
#
# 43 TYR QB 48 SER QB 5.18 (#peak 2281)
&rst
ixpk= 2281, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 642, 643,
igr2= 728, 729,
&end
#
# 43 TYR QD 44 ASP- HN 4.46 (#peak 562 #SUP 0.58 #QF 0.58)
&rst
ixpk= 562, nxpk= 0, iat= -1, 659, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 646, 655,
&end
#
# 43 TYR QD 47 THR HB 4.65 (#peak 1697 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1697, nxpk= 0, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 646, 655,
&end
#
# 43 TYR QD 47 THR QG2 3.54 (#peak 1277 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1277, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 646, 655,
igr2= 716, 717, 718,
&end
#
# 43 TYR QD 51 LEU QD1 3.59 (#peak 1262 #SUP 0.88 #QF 0.88)
&rst
ixpk= 1262, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 646, 655,
igr2= 783, 784, 785,
&end
#
# 43 TYR QD 51 LEU QD2 5.50 (#peak 2596 #SUP 0.93 #QF 0.74)
&rst
ixpk= 2596, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 646, 655,
igr2= 787, 788, 789,
&end
#
# 43 TYR QD 64 MET QE 4.60 (#peak 1606 #SUP 0.87 #QF 0.87)
&rst
ixpk= 1606, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 646, 655,
igr2= 988, 989, 990,
&end
#
# 43 TYR QD 66 ILE QG2 4.69 (#peak 204 #SUP 0.99 #QF 0.99)
&rst
ixpk= 204, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 646, 655,
igr2=1019,1020,1021,
&end
#
# 43 TYR QE 47 THR HB 5.50 (#peak 1918 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1918, nxpk= 0, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 648, 653,
&end
#
# 43 TYR QE 51 LEU QD1 4.50 (#peak 1263 #SUP 1.00 #QF 0.99)
&rst
ixpk= 1263, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 648, 653,
igr2= 783, 784, 785,
&end
#
# 43 TYR QE 51 LEU QD2 5.50 (#peak 1951 #SUP 0.98 #QF 0.69)
&rst
ixpk= 1951, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 648, 653,
igr2= 787, 788, 789,
&end
#
# 43 TYR QE 92 ILE QD1 3.82 (#peak 113 #SUP 0.24 #QF 0.24)
&rst
ixpk= 113, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 648, 653,
igr2=1474,1475,1476,
&end
#
# 43 TYR QE 92 ILE QG2 3.48 (#peak 1545 #SUP 0.21 #QF 0.21)
&rst
ixpk= 1545, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 648, 653,
igr2=1467,1468,1469,
&end
#
# 44 ASP- HA 45 GLU- HB3 4.76 (#peak 1701 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1701, nxpk= 0, iat= 661, 676, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 44 ASP- HA 45 GLU- HG2 4.55 (#peak 1705 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1705, nxpk= 0, iat= 661, 678, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 44 ASP- HA 45 GLU- HG3 5.37 (#peak 1706 #SUP 1.00)
&rst
ixpk= 1706, nxpk= 0, iat= 661, 679, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 44 ASP- HB2 45 GLU- HN 3.92 (#peak 148 #SUP 0.97 #QF 0.96)
&rst
ixpk= 148, nxpk= 0, iat= 663, 671, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 44 ASP- HB2 47 THR HN 4.63 (#peak 406 #SUP 0.99 #QF 0.98)
&rst
ixpk= 406, nxpk= 0, iat= 663, 710, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 44 ASP- HB3 45 GLU- HN 3.92 (#peak 153 #SUP 0.93 #QF 0.93)
&rst
ixpk= 153, nxpk= 0, iat= 664, 671, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 44 ASP- HB3 47 THR HN 4.63 (#peak 407 #SUP 0.98 #QF 0.97)
&rst
ixpk= 407, nxpk= 0, iat= 664, 710, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 44 ASP- HN 45 GLU- HN 5.27 (#peak 563 #SUP 1.00 #QF 0.58)
&rst
ixpk= 563, nxpk= 0, iat= 659, 671, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 44 ASP- HN 47 THR HB 3.95 (#peak 414 #SUP 0.96 #QF 0.80)
&rst
ixpk= 414, nxpk= 0, iat= 659, 714, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 44 ASP- HN 47 THR QG2 3.93 (#peak 1274 #SUP 0.96 #QF 0.22)
&rst
ixpk= 1274, nxpk= 0, iat= 659, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 716, 717, 718,
&end
#
# 44 ASP- QB 45 GLU- HA 5.34 (#peak 2508)
&rst
ixpk= 2508, nxpk= 0, iat= -1, 673, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 663, 664,
&end
#
# 44 ASP- QB 46 ARG+ HN 4.05 (#peak 251)
&rst
ixpk= 251, nxpk= 0, iat= -1, 686, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 663, 664,
&end
#
# 44 ASP- QB 47 THR QG2 4.35 (#peak 1281)
&rst
ixpk= 1281, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 663, 664,
igr2= 716, 717, 718,
&end
#
# 45 GLU- HA 45 GLU- HG2 3.91 (#peak 506 #SUP 0.99 #QF 0.99)
&rst
ixpk= 506, nxpk= 0, iat= 673, 678, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 45 GLU- HA 45 GLU- HG3 3.93 (#peak 882 #SUP 0.94 #QF 0.94)
&rst
ixpk= 882, nxpk= 0, iat= 673, 679, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 45 GLU- HA 46 ARG+ QD 5.34 (#peak 2508)
&rst
ixpk= 2508, nxpk= 0, iat= 673, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 696, 697,
&end
#
# 45 GLU- HA 48 SER HN 4.59 (#peak 2506 #SUP 0.59 #QF 0.59)
&rst
ixpk= 2506, nxpk= 0, iat= 673, 724, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 45 GLU- HA 49 ARG+ HB3 4.44 (#peak 2507 #SUP 0.56 #QF 0.56)
&rst
ixpk= 2507, nxpk= 0, iat= 673, 740, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 45 GLU- HA 49 ARG+ HN 4.23 (#peak 340 #SUP 0.68 #QF 0.68)
&rst
ixpk= 340, nxpk= 0, iat= 673, 735, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 45 GLU- HB2 46 ARG+ HN 4.09 (#peak 253 #SUP 0.59 #QF 0.59)
&rst
ixpk= 253, nxpk= 0, iat= 675, 686, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 45 GLU- HB2 46 ARG+ QD 4.56 (#peak 1704)
&rst
ixpk= 1704, nxpk= 0, iat= 675, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 696, 697,
&end
#
# 45 GLU- HB3 46 ARG+ HN 4.46 (#peak 803 #SUP 1.00)
&rst
ixpk= 803, nxpk= 0, iat= 676, 686, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 45 GLU- HB3 46 ARG+ QD 4.84 (#peak 1703)
&rst
ixpk= 1703, nxpk= 0, iat= 676, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 696, 697,
&end
#
# 45 GLU- HG2 46 ARG+ QD 4.12 (#peak 507)
&rst
ixpk= 507, nxpk= 0, iat= 678, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 696, 697,
&end
#
# 45 GLU- HG3 46 ARG+ HA 4.39 (#peak 2344 #SUP 1.00)
&rst
ixpk= 2344, nxpk= 0, iat= 679, 688, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 45 GLU- HG3 46 ARG+ HD2 4.31 (#peak 2345 #SUP 0.85 #QF 0.85)
&rst
ixpk= 2345, nxpk= 0, iat= 679, 696, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 45 GLU- HG3 46 ARG+ HD3 4.31 (#peak 2504 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2504, nxpk= 0, iat= 679, 697, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 45 GLU- HG3 46 ARG+ HN 4.12 (#peak 509 #SUP 0.96 #QF 0.96)
&rst
ixpk= 509, nxpk= 0, iat= 679, 686, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 45 GLU- HG3 46 ARG+ QG 4.27 (#peak 522)
&rst
ixpk= 522, nxpk= 0, iat= 679, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 693, 694,
&end
#
# 45 GLU- HN 45 GLU- HB2 3.77 (#peak 150 #SUP 1.00)
&rst
ixpk= 150, nxpk= 0, iat= 671, 675, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 45 GLU- HN 45 GLU- HB3 3.74 (#peak 802 #SUP 1.00)
&rst
ixpk= 802, nxpk= 0, iat= 671, 676, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 45 GLU- HN 45 GLU- HG2 3.86 (#peak 505 #SUP 0.99 #QF 0.99)
&rst
ixpk= 505, nxpk= 0, iat= 671, 678, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 45 GLU- HN 45 GLU- HG3 3.89 (#peak 508 #SUP 1.00)
&rst
ixpk= 508, nxpk= 0, iat= 671, 679, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 45 GLU- HN 46 ARG+ HB2 5.18 (#peak 2501 #SUP 0.91 #QF 0.91)
&rst
ixpk= 2501, nxpk= 0, iat= 671, 690, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 45 GLU- HN 46 ARG+ HN 3.79 (#peak 247 #SUP 0.95 #QF 0.95)
&rst
ixpk= 247, nxpk= 0, iat= 671, 686, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 45 GLU- HN 46 ARG+ QD 4.38 (#peak 148)
&rst
ixpk= 148, nxpk= 0, iat= 671, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 696, 697,
&end
#
# 45 GLU- HN 47 THR HN 4.34 (#peak 146 #SUP 0.90 #QF 0.90)
&rst
ixpk= 146, nxpk= 0, iat= 671, 710, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 46 ARG+ HA 46 ARG+ HD2 4.12 (#peak 941 #SUP 0.84 #QF 0.84)
&rst
ixpk= 941, nxpk= 0, iat= 688, 696, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 46 ARG+ HA 46 ARG+ HD3 4.12 (#peak 243 #SUP 0.63 #QF 0.34)
&rst
ixpk= 243, nxpk= 0, iat= 688, 697, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 46 ARG+ HA 46 ARG+ QD 3.62 (#peak 243)
&rst
ixpk= 243, nxpk= 0, iat= 688, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 696, 697,
&end
#
# 46 ARG+ HA 46 ARG+ QG 3.32 (#peak 995)
&rst
ixpk= 995, nxpk= 0, iat= 688, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 693, 694,
&end
#
# 46 ARG+ HB2 47 THR HA 4.49 (#peak 554 #SUP 0.96 #QF 0.96)
&rst
ixpk= 554, nxpk= 0, iat= 690, 712, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 46 ARG+ HB2 47 THR HN 3.58 (#peak 416 #SUP 0.95 #QF 0.95)
&rst
ixpk= 416, nxpk= 0, iat= 690, 710, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 46 ARG+ HB3 47 THR HA 5.50 (#peak 2502 #SUP 1.00 #QF 0.96)
&rst
ixpk= 2502, nxpk= 0, iat= 691, 712, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 ARG+ HN 46 ARG+ HB2 2.95 (#peak 254 #SUP 0.91 #QF 0.91)
&rst
ixpk= 254, nxpk= 0, iat= 686, 690, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 46 ARG+ HN 46 ARG+ HD2 4.58 (#peak 240 #SUP 0.99 #QF 0.99)
&rst
ixpk= 240, nxpk= 0, iat= 686, 696, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 46 ARG+ HN 46 ARG+ HD3 4.58 (#peak 244 #SUP 1.00 #QF 0.24)
&rst
ixpk= 244, nxpk= 0, iat= 686, 697, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 46 ARG+ HN 46 ARG+ QD 3.85 (#peak 240)
&rst
ixpk= 240, nxpk= 0, iat= 686, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 696, 697,
&end
#
# 46 ARG+ HN 46 ARG+ QG 3.56 (#peak 255)
&rst
ixpk= 255, nxpk= 0, iat= 686, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 693, 694,
&end
#
# 46 ARG+ HN 47 THR HN 3.46 (#peak 248 #SUP 0.93 #QF 0.93)
&rst
ixpk= 248, nxpk= 0, iat= 686, 710, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 46 ARG+ HN 48 SER HN 4.28 (#peak 249 #SUP 0.69 #QF 0.69)
&rst
ixpk= 249, nxpk= 0, iat= 686, 724, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 46 ARG+ QG 47 THR HN 4.27 (#peak 417)
&rst
ixpk= 417, nxpk= 0, iat= -1, 710, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 693, 694,
&end
#
# 47 THR HA 47 THR QG2 3.16 (#peak 1280 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1280, nxpk= 0, iat= 712, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 716, 717, 718,
&end
#
# 47 THR HA 49 ARG+ HN 4.58 (#peak 341 #SUP 0.98 #QF 0.87)
&rst
ixpk= 341, nxpk= 0, iat= 712, 735, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 47 THR HA 50 GLU- HB2 4.15 (#peak 553 #SUP 0.99 #QF 0.99)
&rst
ixpk= 553, nxpk= 0, iat= 712, 763, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 47 THR HA 50 GLU- HB3 5.50 (#peak 1692 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1692, nxpk= 0, iat= 712, 764, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 THR HA 50 GLU- HN 3.88 (#peak 240 #SUP 0.97 #QF 0.97)
&rst
ixpk= 240, nxpk= 0, iat= 712, 759, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 47 THR HA 50 GLU- QG 3.97 (#peak 520)
&rst
ixpk= 520, nxpk= 0, iat= 712, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 766, 767,
&end
#
# 47 THR HB 48 SER HN 3.65 (#peak 435 #SUP 1.00 #QF 0.70)
&rst
ixpk= 435, nxpk= 0, iat= 714, 724, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 47 THR HB 66 ILE QG2 5.47 (#peak 2245 #SUP 0.71 #QF 0.71)
&rst
ixpk= 2245, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr2=1019,1020,1021,
&end
#
# 47 THR HN 47 THR HB 4.01 (#peak 414 #SUP 0.96 #QF 0.80)
&rst
ixpk= 414, nxpk= 0, iat= 710, 714, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 47 THR HN 47 THR QG2 4.51 (#peak 418 #SUP 1.00 #QF 0.53)
&rst
ixpk= 418, nxpk= 0, iat= 710, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 716, 717, 718,
&end
#
# 47 THR HN 48 SER HN 4.00 (#peak 412 #SUP 0.96 #QF 0.62)
&rst
ixpk= 412, nxpk= 0, iat= 710, 724, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 47 THR HN 50 GLU- QG 4.95 (#peak 2328)
&rst
ixpk= 2328, nxpk= 0, iat= 710, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 766, 767,
&end
#
# 47 THR QG2 48 SER HN 3.83 (#peak 1275 #SUP 0.84 #QF 0.84)
&rst
ixpk= 1275, nxpk= 0, iat= -1, 724, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 716, 717, 718,
&end
#
# 47 THR QG2 48 SER QB 5.21 (#peak 2279)
&rst
ixpk= 2279, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr1= 716, 717, 718,
igr2= 728, 729,
&end
#
# 47 THR QG2 50 GLU- HG2 5.04 (#peak 523 #SUP 0.92 #QF 0.87)
&rst
ixpk= 523, nxpk= 0, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 716, 717, 718,
&end
#
# 47 THR QG2 50 GLU- HG3 5.04 (#peak 523 #SUP 0.92 #QF 0.87)
&rst
ixpk= 523, nxpk= 0, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 716, 717, 718,
&end
#
# 47 THR QG2 50 GLU- HN 4.37 (#peak 1699 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1699, nxpk= 0, iat= -1, 759, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 716, 717, 718,
&end
#
# 47 THR QG2 50 GLU- QG 4.22 (#peak 523)
&rst
ixpk= 523, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 716, 717, 718,
igr2= 766, 767,
&end
#
# 47 THR QG2 51 LEU HN 4.97 (#peak 1276 #SUP 0.82 #QF 0.82)
&rst
ixpk= 1276, nxpk= 0, iat= -1, 774, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 716, 717, 718,
&end
#
# 47 THR QG2 51 LEU QD1 3.31 (#peak 1289 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1289, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 716, 717, 718,
igr2= 783, 784, 785,
&end
#
# 47 THR QG2 51 LEU QD2 3.94 (#peak 1288 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1288, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 716, 717, 718,
igr2= 787, 788, 789,
&end
#
# 47 THR QG2 64 MET HA 4.49 (#peak 2002 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2002, nxpk= 0, iat= -1, 979, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 716, 717, 718,
&end
#
# 47 THR QG2 64 MET HB2 3.81 (#peak 540 #SUP 0.97 #QF 0.97)
&rst
ixpk= 540, nxpk= 0, iat= -1, 981, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 716, 717, 718,
&end
#
# 47 THR QG2 64 MET HB3 3.41 (#peak 1286 #SUP 0.88 #QF 0.82)
&rst
ixpk= 1286, nxpk= 0, iat= -1, 982, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 716, 717, 718,
&end
#
# 47 THR QG2 64 MET HG3 4.03 (#peak 1284 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1284, nxpk= 0, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 716, 717, 718,
&end
#
# 47 THR QG2 65 LEU HN 4.09 (#peak 1274 #SUP 0.96 #QF 0.22)
&rst
ixpk= 1274, nxpk= 0, iat= -1, 994, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 716, 717, 718,
&end
#
# 47 THR QG2 66 ILE HA 4.78 (#peak 2243 #SUP 0.99 #QF 0.24)
&rst
ixpk= 2243, nxpk= 0, iat= -1,1015, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 716, 717, 718,
&end
#
# 47 THR QG2 66 ILE QG2 3.45 (#peak 1287 #SUP 0.88 #QF 0.88)
&rst
ixpk= 1287, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 716, 717, 718,
igr2=1019,1020,1021,
&end
#
# 48 SER HA 51 LEU QD1 4.33 (#peak 1954 #SUP 0.99 #QF 0.42)
&rst
ixpk= 1954, nxpk= 0, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 783, 784, 785,
&end
#
# 48 SER HB2 51 LEU HG 5.50 (#peak 2280 #SUP 0.85 #QF 0.85)
&rst
ixpk= 2280, nxpk= 0, iat= 728, 781, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 SER HB3 51 LEU HG 5.50 (#peak 2610 #SUP 0.93 #QF 0.82)
&rst
ixpk= 2610, nxpk= 0, iat= 729, 781, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 SER HN 48 SER HG 3.76 (#peak 738 #SUP 0.80 #QF 0.80)
&rst
ixpk= 738, nxpk= 0, iat= 724, 731, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 48 SER HN 48 SER QB 3.60 (#peak 438)
&rst
ixpk= 438, nxpk= 0, iat= 724, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 728, 729,
&end
#
# 48 SER HN 49 ARG+ HB3 5.04 (#peak 2335 #SUP 0.86 #QF 0.86)
&rst
ixpk= 2335, nxpk= 0, iat= 724, 740, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 48 SER HN 49 ARG+ HN 3.75 (#peak 337 #SUP 0.95 #QF 0.95)
&rst
ixpk= 337, nxpk= 0, iat= 724, 735, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 48 SER HN 51 LEU QD1 4.33 (#peak 1258 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1258, nxpk= 0, iat= 724, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 783, 784, 785,
&end
#
# 48 SER QB 49 ARG+ HN 3.68 (#peak 339)
&rst
ixpk= 339, nxpk= 0, iat= -1, 735, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 728, 729,
&end
#
# 48 SER QB 51 LEU HG 4.73 (#peak 2280)
&rst
ixpk= 2280, nxpk= 0, iat= -1, 781, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 728, 729,
&end
#
# 48 SER QB 51 LEU HN 4.92 (#peak 1696)
&rst
ixpk= 1696, nxpk= 0, iat= -1, 774, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 728, 729,
&end
#
# 48 SER QB 51 LEU QB 4.81 (#peak 2277)
&rst
ixpk= 2277, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 728, 729,
igr2= 778, 779,
&end
#
# 48 SER QB 51 LEU QD1 3.60 (#peak 1264)
&rst
ixpk= 1264, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 728, 729,
igr2= 783, 784, 785,
&end
#
# 48 SER QB 51 LEU QD2 5.34 (#peak 2278)
&rst
ixpk= 2278, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 728, 729,
igr2= 787, 788, 789,
&end
#
# 49 ARG+ HA 49 ARG+ HG3 3.69 (#peak 932 #SUP 1.00)
&rst
ixpk= 932, nxpk= 0, iat= 737, 743, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 49 ARG+ HA 49 ARG+ QD 4.38 (#peak 968)
&rst
ixpk= 968, nxpk= 0, iat= 737, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 745, 746,
&end
#
# 49 ARG+ HB2 50 GLU- HN 4.27 (#peak 785 #SUP 0.98 #QF 0.98)
&rst
ixpk= 785, nxpk= 0, iat= 739, 759, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 49 ARG+ HB3 50 GLU- HN 4.19 (#peak 786 #SUP 0.98 #QF 0.98)
&rst
ixpk= 786, nxpk= 0, iat= 740, 759, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 49 ARG+ HD2 50 GLU- HA 4.20 (#peak 224 #SUP 0.67 #QF 0.23)
&rst
ixpk= 224, nxpk= 0, iat= 745, 761, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 49 ARG+ HD2 50 GLU- HN 4.28 (#peak 236 #SUP 0.70 #QF 0.70)
&rst
ixpk= 236, nxpk= 0, iat= 745, 759, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 49 ARG+ HD3 50 GLU- HA 4.20 (#peak 2337 #SUP 0.81 #QF 0.81)
&rst
ixpk= 2337, nxpk= 0, iat= 746, 761, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 49 ARG+ HD3 50 GLU- HN 4.28 (#peak 228 #SUP 0.94 #QF 0.94)
&rst
ixpk= 228, nxpk= 0, iat= 746, 759, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 49 ARG+ HG2 50 GLU- HN 4.24 (#peak 926 #SUP 0.84 #QF 0.84)
&rst
ixpk= 926, nxpk= 0, iat= 742, 759, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 49 ARG+ HG3 50 GLU- HN 4.09 (#peak 931 #SUP 0.96 #QF 0.96)
&rst
ixpk= 931, nxpk= 0, iat= 743, 759, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 49 ARG+ HG3 50 GLU- QG 4.74 (#peak 522)
&rst
ixpk= 522, nxpk= 0, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 766, 767,
&end
#
# 49 ARG+ HN 49 ARG+ HB2 3.64 (#peak 784 #SUP 0.97 #QF 0.97)
&rst
ixpk= 784, nxpk= 0, iat= 735, 739, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 49 ARG+ HN 49 ARG+ HB3 3.19 (#peak 344 #SUP 0.89 #QF 0.89)
&rst
ixpk= 344, nxpk= 0, iat= 735, 740, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 49 ARG+ HN 49 ARG+ HD2 5.00 (#peak 225 #SUP 0.99 #QF 0.99)
&rst
ixpk= 225, nxpk= 0, iat= 735, 745, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 49 ARG+ HN 49 ARG+ HD3 5.00 (#peak 229 #SUP 0.99 #QF 0.99)
&rst
ixpk= 229, nxpk= 0, iat= 735, 746, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 49 ARG+ HN 49 ARG+ HG2 3.56 (#peak 925 #SUP 0.99 #QF 0.99)
&rst
ixpk= 925, nxpk= 0, iat= 735, 742, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 49 ARG+ HN 49 ARG+ HG3 3.75 (#peak 930 #SUP 0.99 #QF 0.99)
&rst
ixpk= 930, nxpk= 0, iat= 735, 743, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 49 ARG+ HN 49 ARG+ QD 4.21 (#peak 229)
&rst
ixpk= 229, nxpk= 0, iat= 735, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 745, 746,
&end
#
# 49 ARG+ HN 50 GLU- HA 5.45 (#peak 2322 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2322, nxpk= 0, iat= 735, 761, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 49 ARG+ HN 50 GLU- HN 3.61 (#peak 238 #SUP 0.99 #QF 0.99)
&rst
ixpk= 238, nxpk= 0, iat= 735, 759, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 49 ARG+ HN 50 GLU- QG 4.24 (#peak 343)
&rst
ixpk= 343, nxpk= 0, iat= 735, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 766, 767,
&end
#
# 49 ARG+ HN 51 LEU HN 4.37 (#peak 655 #SUP 0.88 #QF 0.88)
&rst
ixpk= 655, nxpk= 0, iat= 735, 774, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 49 ARG+ QD 50 GLU- HA 3.46 (#peak 2337)
&rst
ixpk= 2337, nxpk= 0, iat= -1, 761, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1= 745, 746,
&end
#
# 49 ARG+ QD 50 GLU- HN 3.57 (#peak 228)
&rst
ixpk= 228, nxpk= 0, iat= -1, 759, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1= 745, 746,
&end
#
# 49 ARG+ QD 50 GLU- QG 4.11 (#peak 2329)
&rst
ixpk= 2329, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 745, 746,
igr2= 766, 767,
&end
#
# 50 GLU- HA 50 GLU- HG2 3.95 (#peak 519 #SUP 0.96 #QF 0.92)
&rst
ixpk= 519, nxpk= 0, iat= 761, 766, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 50 GLU- HA 50 GLU- HG3 3.95 (#peak 519 #SUP 0.96 #QF 0.92)
&rst
ixpk= 519, nxpk= 0, iat= 761, 767, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 50 GLU- HA 50 GLU- QG 3.40 (#peak 519)
&rst
ixpk= 519, nxpk= 0, iat= 761, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 766, 767,
&end
#
# 50 GLU- HA 53 ASP- HB2 4.13 (#peak 991 #SUP 0.96 #QF 0.96)
&rst
ixpk= 991, nxpk= 0, iat= 761, 812, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 50 GLU- HA 53 ASP- HB3 4.13 (#peak 992 #SUP 0.99 #QF 0.99)
&rst
ixpk= 992, nxpk= 0, iat= 761, 813, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 50 GLU- HA 53 ASP- HN 4.40 (#peak 989 #SUP 0.99 #QF 0.98)
&rst
ixpk= 989, nxpk= 0, iat= 761, 808, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 50 GLU- HA 53 ASP- QB 3.60 (#peak 991)
&rst
ixpk= 991, nxpk= 0, iat= 761, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 812, 813,
&end
#
# 50 GLU- HA 54 ALA HN 4.44 (#peak 756 #SUP 0.94 #QF 0.94)
&rst
ixpk= 756, nxpk= 0, iat= 761, 820, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 50 GLU- HB2 51 LEU HN 4.15 (#peak 131 #SUP 0.53 #QF 0.53)
&rst
ixpk= 131, nxpk= 0, iat= 763, 774, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 50 GLU- HB3 51 LEU HN 4.26 (#peak 1691 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1691, nxpk= 0, iat= 764, 774, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 50 GLU- HB3 54 ALA HN 5.50 (#peak 659 #SUP 0.87 #QF 0.87)
&rst
ixpk= 659, nxpk= 0, iat= 764, 820, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 GLU- HG2 51 LEU QD2 5.50 (#peak 2483 #SUP 0.94 #QF 0.90)
&rst
ixpk= 2483, nxpk= 0, iat= 766, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 787, 788, 789,
&end
#
# 50 GLU- HG3 51 LEU QD2 5.50 (#peak 2483 #SUP 0.94 #QF 0.90)
&rst
ixpk= 2483, nxpk= 0, iat= 767, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 787, 788, 789,
&end
#
# 50 GLU- HN 50 GLU- HB2 3.54 (#peak 242 #SUP 0.96 #QF 0.96)
&rst
ixpk= 242, nxpk= 0, iat= 759, 763, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 50 GLU- HN 50 GLU- HB3 3.82 (#peak 243 #SUP 1.00)
&rst
ixpk= 243, nxpk= 0, iat= 759, 764, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 50 GLU- HN 50 GLU- QG 3.25 (#peak 241)
&rst
ixpk= 241, nxpk= 0, iat= 759, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2= 766, 767,
&end
#
# 50 GLU- HN 51 LEU HG 4.67 (#peak 557 #SUP 0.76 #QF 0.76)
&rst
ixpk= 557, nxpk= 0, iat= 759, 781, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 50 GLU- HN 51 LEU HN 3.71 (#peak 237 #SUP 0.99 #QF 0.99)
&rst
ixpk= 237, nxpk= 0, iat= 759, 774, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 50 GLU- HN 51 LEU QD1 4.80 (#peak 555 #SUP 0.95 #QF 0.95)
&rst
ixpk= 555, nxpk= 0, iat= 759, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 783, 784, 785,
&end
#
# 50 GLU- HN 51 LEU QD2 4.94 (#peak 556 #SUP 0.99 #QF 0.99)
&rst
ixpk= 556, nxpk= 0, iat= 759, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 787, 788, 789,
&end
#
# 50 GLU- QG 51 LEU HN 4.15 (#peak 518)
&rst
ixpk= 518, nxpk= 0, iat= -1, 774, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 766, 767,
&end
#
# 51 LEU HA 51 LEU QD1 4.23 (#peak 1102 #SUP 1.00)
&rst
ixpk= 1102, nxpk= 0, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 783, 784, 785,
&end
#
# 51 LEU HA 51 LEU QD2 3.16 (#peak 1392 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1392, nxpk= 0, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 787, 788, 789,
&end
#
# 51 LEU HA 54 ALA HN 4.59 (#peak 757 #SUP 0.98 #QF 0.98)
&rst
ixpk= 757, nxpk= 0, iat= 776, 820, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 51 LEU HA 54 ALA QB 3.98 (#peak 1628 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1628, nxpk= 0, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 824, 825, 826,
&end
#
# 51 LEU HA 62 THR QG2 3.76 (#peak 1100 #SUP 0.96 #QF 0.65)
&rst
ixpk= 1100, nxpk= 0, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 954, 955, 956,
&end
#
# 51 LEU HA 73 ALA QB 4.47 (#peak 1938 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1938, nxpk= 0, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1129,1130,1131,
&end
#
# 51 LEU HA 75 LEU QQD 4.29 (#peak 1160)
&rst
ixpk= 1160, nxpk= 0, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=1156,1157,1158,1160,1161,1162,
&end
#
# 51 LEU HB2 51 LEU QD1 3.64 (#peak 1270 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1270, nxpk= 0, iat= 778, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 783, 784, 785,
&end
#
# 51 LEU HB3 51 LEU QD1 3.64 (#peak 1261 #SUP 1.00)
&rst
ixpk= 1261, nxpk= 0, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 783, 784, 785,
&end
#
# 51 LEU HG 52 GLU- HN 4.10 (#peak 377 #SUP 0.47 #QF 0.47)
&rst
ixpk= 377, nxpk= 0, iat= 781, 793, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 51 LEU HG 64 MET HB2 5.50 (#peak 2551 #SUP 0.95 #QF 0.47)
&rst
ixpk= 2551, nxpk= 0, iat= 781, 981, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 LEU HN 51 LEU HB2 4.19 (#peak 136 #SUP 0.93 #QF 0.93)
&rst
ixpk= 136, nxpk= 0, iat= 774, 778, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 51 LEU HN 51 LEU HB3 4.19 (#peak 732 #SUP 0.78 #QF 0.78)
&rst
ixpk= 732, nxpk= 0, iat= 774, 779, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 51 LEU HN 51 LEU HG 3.70 (#peak 784 #SUP 0.62 #QF 0.62)
&rst
ixpk= 784, nxpk= 0, iat= 774, 781, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 51 LEU HN 51 LEU QD1 3.69 (#peak 1259 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1259, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 783, 784, 785,
&end
#
# 51 LEU HN 51 LEU QD2 3.58 (#peak 1391 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1391, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 787, 788, 789,
&end
#
# 51 LEU HN 52 GLU- HN 3.88 (#peak 385 #SUP 0.79 #QF 0.51)
&rst
ixpk= 385, nxpk= 0, iat= 774, 793, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 51 LEU HN 62 THR QG2 4.25 (#peak 1562 #SUP 0.79 #QF 0.51)
&rst
ixpk= 1562, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 954, 955, 956,
&end
#
# 51 LEU HN 73 ALA QB 5.50 (#peak 2624 #SUP 1.00)
&rst
ixpk= 2624, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1129,1130,1131,
&end
#
# 51 LEU QB 51 LEU QD2 3.34 (#peak 1398)
&rst
ixpk= 1398, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 778, 779,
igr2= 787, 788, 789,
&end
#
# 51 LEU QB 52 GLU- HN 4.44 (#peak 656)
&rst
ixpk= 656, nxpk= 0, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 778, 779,
&end
#
# 51 LEU QB 73 ALA QB 4.71 (#peak 2072)
&rst
ixpk= 2072, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 778, 779,
igr2=1129,1130,1131,
&end
#
# 51 LEU QB 75 LEU QQD 4.85 (#peak 1950)
&rst
ixpk= 1950, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
igr1= 778, 779,
igr2=1156,1157,1158,1160,1161,1162,
&end
#
# 51 LEU QD1 52 GLU- HN 4.26 (#peak 1260 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1260, nxpk= 0, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 783, 784, 785,
&end
#
# 51 LEU QD1 52 GLU- QB 5.25 (#peak 1953)
&rst
ixpk= 1953, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
igr1= 783, 784, 785,
igr2= 797, 798,
&end
#
# 51 LEU QD1 64 MET HB3 4.85 (#peak 1267 #SUP 1.00 #QF 0.21)
&rst
ixpk= 1267, nxpk= 0, iat= -1, 982, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 783, 784, 785,
&end
#
# 51 LEU QD1 64 MET QE 4.27 (#peak 1622 #SUP 1.00)
&rst
ixpk= 1622, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 783, 784, 785,
igr2= 988, 989, 990,
&end
#
# 51 LEU QD1 73 ALA QB 3.82 (#peak 1536 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1536, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 783, 784, 785,
igr2=1129,1130,1131,
&end
#
# 51 LEU QD1 78 MET QE 5.50 (#peak 1952 #SUP 0.92 #QF 0.30)
&rst
ixpk= 1952, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 783, 784, 785,
igr2=1206,1207,1208,
&end
#
# 51 LEU QD1 92 ILE HB 5.50 (#peak 1952 #SUP 0.92 #QF 0.30)
&rst
ixpk= 1952, nxpk= 0, iat= -1,1465, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 783, 784, 785,
&end
#
# 51 LEU QD1 92 ILE QD1 4.16 (#peak 121 #SUP 0.76 #QF 0.76)
&rst
ixpk= 121, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 783, 784, 785,
igr2=1474,1475,1476,
&end
#
# 51 LEU QD1 92 ILE QG2 4.66 (#peak 1547 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1547, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
igr1= 783, 784, 785,
igr2=1467,1468,1469,
&end
#
# 51 LEU QD2 52 GLU- HN 4.76 (#peak 2597 #SUP 0.79 #QF 0.79)
&rst
ixpk= 2597, nxpk= 0, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 787, 788, 789,
&end
#
# 51 LEU QD2 54 ALA QB 4.03 (#peak 1395 #SUP 1.00)
&rst
ixpk= 1395, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 787, 788, 789,
igr2= 824, 825, 826,
&end
#
# 51 LEU QD2 62 THR HA 5.50 (#peak 2598 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2598, nxpk= 0, iat= -1, 950, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 787, 788, 789,
&end
#
# 51 LEU QD2 62 THR QG2 2.70 (#peak 2594 #SUP 0.62 #QF 0.62)
&rst
ixpk= 2594, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 787, 788, 789,
igr2= 954, 955, 956,
&end
#
# 51 LEU QD2 64 MET HB3 3.60 (#peak 1394 #SUP 0.67 #QF 0.56)
&rst
ixpk= 1394, nxpk= 0, iat= -1, 982, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 787, 788, 789,
&end
#
# 51 LEU QD2 64 MET HG2 4.49 (#peak 2009 #SUP 1.00)
&rst
ixpk= 2009, nxpk= 0, iat= -1, 984, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 787, 788, 789,
&end
#
# 51 LEU QD2 64 MET HG3 4.55 (#peak 2010 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2010, nxpk= 0, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 787, 788, 789,
&end
#
# 51 LEU QD2 64 MET QE 3.92 (#peak 1621 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1621, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 787, 788, 789,
igr2= 988, 989, 990,
&end
#
# 51 LEU QD2 73 ALA HA 4.95 (#peak 2439 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2439, nxpk= 0, iat= -1,1127, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 787, 788, 789,
&end
#
# 51 LEU QD2 73 ALA HN 4.25 (#peak 1399 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1399, nxpk= 0, iat= -1,1125, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 787, 788, 789,
&end
#
# 51 LEU QD2 73 ALA QB 2.78 (#peak 1396 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1396, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1= 787, 788, 789,
igr2=1129,1130,1131,
&end
#
# 51 LEU QD2 92 ILE QD1 4.56 (#peak 110 #SUP 0.83 #QF 0.83)
&rst
ixpk= 110, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 787, 788, 789,
igr2=1474,1475,1476,
&end
#
# 52 GLU- HA 55 PHE HN 4.75 (#peak 2599 #SUP 0.84 #QF 0.84)
&rst
ixpk= 2599, nxpk= 0, iat= 795, 830, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 52 GLU- HA 55 PHE QD 4.35 (#peak 1956 #SUP 0.82 #QF 0.82)
&rst
ixpk= 1956, nxpk= 0, iat= 795, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 838, 846,
&end
#
# 52 GLU- HA 56 SER HN 5.19 (#peak 2532 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2532, nxpk= 0, iat= 795, 850, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 52 GLU- HG2 53 ASP- HA 5.50 (#peak 1959 #SUP 0.68 #QF 0.52)
&rst
ixpk= 1959, nxpk= 0, iat= 800, 810, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 GLU- HG2 53 ASP- HN 5.50 (#peak 2399 #SUP 0.96 #QF 0.88)
&rst
ixpk= 2399, nxpk= 0, iat= 800, 808, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 GLU- HG3 53 ASP- HA 5.50 (#peak 1959 #SUP 0.68 #QF 0.52)
&rst
ixpk= 1959, nxpk= 0, iat= 801, 810, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 GLU- HG3 53 ASP- HN 5.50 (#peak 2399 #SUP 0.96 #QF 0.88)
&rst
ixpk= 2399, nxpk= 0, iat= 801, 808, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 GLU- HN 52 GLU- HB2 3.95 (#peak 386 #SUP 0.38 #QF 0.38)
&rst
ixpk= 386, nxpk= 0, iat= 793, 797, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 52 GLU- HN 52 GLU- HB3 3.95 (#peak 384 #SUP 0.78 #QF 0.78)
&rst
ixpk= 384, nxpk= 0, iat= 793, 798, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 52 GLU- HN 52 GLU- HG2 5.50 (#peak 2398 #SUP 0.92 #QF 0.72)
&rst
ixpk= 2398, nxpk= 0, iat= 793, 800, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 GLU- HN 52 GLU- HG3 5.50 (#peak 2398 #SUP 0.92 #QF 0.72)
&rst
ixpk= 2398, nxpk= 0, iat= 793, 801, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 GLU- HN 52 GLU- QB 3.41 (#peak 386)
&rst
ixpk= 386, nxpk= 0, iat= 793, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 797, 798,
&end
#
# 52 GLU- HN 52 GLU- QG 4.77 (#peak 2398)
&rst
ixpk= 2398, nxpk= 0, iat= 793, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 800, 801,
&end
#
# 52 GLU- HN 53 ASP- HN 4.23 (#peak 385 #SUP 0.79 #QF 0.51)
&rst
ixpk= 385, nxpk= 0, iat= 793, 808, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 52 GLU- HN 54 ALA HN 4.43 (#peak 212 #SUP 0.70 #QF 0.70)
&rst
ixpk= 212, nxpk= 0, iat= 793, 820, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 52 GLU- HN 55 PHE QD 5.08 (#peak 815 #SUP 0.48 #QF 0.48)
&rst
ixpk= 815, nxpk= 0, iat= 793, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 838, 846,
&end
#
# 52 GLU- QB 53 ASP- HN 4.11 (#peak 286)
&rst
ixpk= 286, nxpk= 0, iat= -1, 808, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 797, 798,
&end
#
# 53 ASP- HA 54 ALA QB 5.21 (#peak 1960 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1960, nxpk= 0, iat= 810, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2= 824, 825, 826,
&end
#
# 53 ASP- HA 56 SER HB2 4.21 (#peak 1122 #SUP 0.67 #QF 0.67)
&rst
ixpk= 1122, nxpk= 0, iat= 810, 854, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 53 ASP- HA 56 SER HB3 3.75 (#peak 2609 #SUP 0.81 #QF 0.81)
&rst
ixpk= 2609, nxpk= 0, iat= 810, 855, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 53 ASP- HA 56 SER HN 4.71 (#peak 1961 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1961, nxpk= 0, iat= 810, 850, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 53 ASP- HB2 54 ALA HN 3.63 (#peak 214 #SUP 0.99 #QF 0.99)
&rst
ixpk= 214, nxpk= 0, iat= 812, 820, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 53 ASP- HB3 54 ALA HN 3.63 (#peak 215 #SUP 0.98 #QF 0.98)
&rst
ixpk= 215, nxpk= 0, iat= 813, 820, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 53 ASP- HN 53 ASP- HB2 3.42 (#peak 284 #SUP 0.94 #QF 0.94)
&rst
ixpk= 284, nxpk= 0, iat= 808, 812, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 53 ASP- HN 53 ASP- HB3 3.42 (#peak 285 #SUP 0.94 #QF 0.94)
&rst
ixpk= 285, nxpk= 0, iat= 808, 813, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 53 ASP- HN 54 ALA HN 3.47 (#peak 218 #SUP 0.99 #QF 0.99)
&rst
ixpk= 218, nxpk= 0, iat= 808, 820, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 53 ASP- HN 54 ALA QB 3.93 (#peak 1624 #SUP 0.88 #QF 0.88)
&rst
ixpk= 1624, nxpk= 0, iat= 808, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 824, 825, 826,
&end
#
# 53 ASP- QB 54 ALA QB 4.40 (#peak 2400)
&rst
ixpk= 2400, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 812, 813,
igr2= 824, 825, 826,
&end
#
# 53 ASP- QB 56 SER HN 5.34 (#peak 2487)
&rst
ixpk= 2487, nxpk= 0, iat= -1, 850, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 812, 813,
&end
#
# 54 ALA HA 57 LYS+ HB3 4.97 (#peak 1962 #SUP 0.87 #QF 0.87)
&rst
ixpk= 1962, nxpk= 0, iat= 822, 866, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 54 ALA HA 57 LYS+ HD3 4.03 (#peak 1341 #SUP 0.99 #QF 0.96)
&rst
ixpk= 1341, nxpk= 0, iat= 822, 872, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 54 ALA HA 57 LYS+ HE2 3.82 (#peak 308 #SUP 0.99 #QF 0.99)
&rst
ixpk= 308, nxpk= 0, iat= 822, 874, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 54 ALA HA 57 LYS+ HE3 3.93 (#peak 303 #SUP 0.99 #QF 0.99)
&rst
ixpk= 303, nxpk= 0, iat= 822, 875, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 54 ALA HA 57 LYS+ HN 3.88 (#peak 325 #SUP 0.95 #QF 0.95)
&rst
ixpk= 325, nxpk= 0, iat= 822, 861, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 54 ALA HA 59 LYS+ HB3 5.50 (#peak 2413 #SUP 0.99 #QF 0.87)
&rst
ixpk= 2413, nxpk= 0, iat= 822, 895, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 54 ALA HA 59 LYS+ HD2 3.70 (#peak 844 #SUP 1.00)
&rst
ixpk= 844, nxpk= 0, iat= 822, 900, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 54 ALA HA 59 LYS+ HD3 4.12 (#peak 1339 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1339, nxpk= 0, iat= 822, 901, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 54 ALA HA 59 LYS+ HG2 4.18 (#peak 1115 #SUP 1.00)
&rst
ixpk= 1115, nxpk= 0, iat= 822, 897, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 54 ALA HA 59 LYS+ HG3 4.36 (#peak 1108 #SUP 1.00)
&rst
ixpk= 1108, nxpk= 0, iat= 822, 898, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 54 ALA HA 59 LYS+ HN 4.54 (#peak 1964 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1964, nxpk= 0, iat= 822, 890, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 54 ALA HA 75 LEU QQD 4.36 (#peak 1158)
&rst
ixpk= 1158, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1156,1157,1158,1160,1161,1162,
&end
#
# 54 ALA HN 54 ALA QB 3.07 (#peak 1626 #SUP 1.00)
&rst
ixpk= 1626, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 824, 825, 826,
&end
#
# 54 ALA HN 55 PHE HN 3.74 (#peak 217 #SUP 0.99 #QF 0.99)
&rst
ixpk= 217, nxpk= 0, iat= 820, 830, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 54 ALA HN 56 SER HB2 5.33 (#peak 2498 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2498, nxpk= 0, iat= 820, 854, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 54 ALA HN 56 SER HB3 5.18 (#peak 2606 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2606, nxpk= 0, iat= 820, 855, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 54 ALA HN 56 SER HN 4.37 (#peak 216 #SUP 0.98 #QF 0.98)
&rst
ixpk= 216, nxpk= 0, iat= 820, 850, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 54 ALA HN 59 LYS+ HD2 4.81 (#peak 660 #SUP 0.99 #QF 0.99)
&rst
ixpk= 660, nxpk= 0, iat= 820, 900, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 54 ALA HN 75 LEU QQD 4.37 (#peak 1151)
&rst
ixpk= 1151, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2=1156,1157,1158,1160,1161,1162,
&end
#
# 54 ALA QB 55 PHE HA 4.12 (#peak 1631 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1631, nxpk= 0, iat= -1, 832, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 824, 825, 826,
&end
#
# 54 ALA QB 55 PHE HN 3.51 (#peak 1623 #SUP 1.00)
&rst
ixpk= 1623, nxpk= 0, iat= -1, 830, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 824, 825, 826,
&end
#
# 54 ALA QB 55 PHE QB 4.88 (#peak 1969)
&rst
ixpk= 1969, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 824, 825, 826,
igr2= 834, 835,
&end
#
# 54 ALA QB 55 PHE QD 4.60 (#peak 2402 #SUP 0.91 #QF 0.91)
&rst
ixpk= 2402, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 824, 825, 826,
igr2= 838, 846,
&end
#
# 54 ALA QB 57 LYS+ HE2 3.89 (#peak 311 #SUP 0.99 #QF 0.99)
&rst
ixpk= 311, nxpk= 0, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 824, 825, 826,
&end
#
# 54 ALA QB 57 LYS+ HE3 4.97 (#peak 2405 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2405, nxpk= 0, iat= -1, 875, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 824, 825, 826,
&end
#
# 54 ALA QB 57 LYS+ HN 4.47 (#peak 2403 #SUP 0.81 #QF 0.81)
&rst
ixpk= 2403, nxpk= 0, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 824, 825, 826,
&end
#
# 54 ALA QB 58 GLY HN 5.37 (#peak 546 #SUP 0.99 #QF 0.90)
&rst
ixpk= 546, nxpk= 0, iat= -1, 883, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 824, 825, 826,
&end
#
# 54 ALA QB 59 LYS+ HD2 3.36 (#peak 2602 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2602, nxpk= 0, iat= -1, 900, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 824, 825, 826,
&end
#
# 54 ALA QB 59 LYS+ HD3 3.58 (#peak 837 #SUP 1.00)
&rst
ixpk= 837, nxpk= 0, iat= -1, 901, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 824, 825, 826,
&end
#
# 54 ALA QB 59 LYS+ HN 4.90 (#peak 1625 #SUP 1.00)
&rst
ixpk= 1625, nxpk= 0, iat= -1, 890, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 824, 825, 826,
&end
#
# 54 ALA QB 60 LYS+ HN 5.50 (#peak 1966 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1966, nxpk= 0, iat= -1, 912, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 824, 825, 826,
&end
#
# 54 ALA QB 61 ASN HN 4.49 (#peak 1968 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1968, nxpk= 0, iat= -1, 934, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 824, 825, 826,
&end
#
# 54 ALA QB 62 THR HA 4.22 (#peak 2404 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2404, nxpk= 0, iat= -1, 950, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 824, 825, 826,
&end
#
# 54 ALA QB 62 THR HB 3.36 (#peak 1627 #SUP 1.00)
&rst
ixpk= 1627, nxpk= 0, iat= -1, 952, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 824, 825, 826,
&end
#
# 54 ALA QB 62 THR HN 4.62 (#peak 1967 #SUP 1.00)
&rst
ixpk= 1967, nxpk= 0, iat= -1, 948, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 824, 825, 826,
&end
#
# 54 ALA QB 62 THR QG2 3.00 (#peak 1566 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1566, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 824, 825, 826,
igr2= 954, 955, 956,
&end
#
# 54 ALA QB 75 LEU QQD 2.84 (#peak 1165)
&rst
ixpk= 1165, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 824, 825, 826,
igr2=1156,1157,1158,1160,1161,1162,
&end
#
# 55 PHE HA 55 PHE QD 3.68 (#peak 823 #SUP 0.97 #QF 0.97)
&rst
ixpk= 823, nxpk= 0, iat= 832, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 838, 846,
&end
#
# 55 PHE HA 58 GLY HN 3.94 (#peak 544 #SUP 0.97 #QF 0.69)
&rst
ixpk= 544, nxpk= 0, iat= 832, 883, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 55 PHE HA 59 LYS+ HN 4.75 (#peak 2020 #SUP 0.88 #QF 0.88)
&rst
ixpk= 2020, nxpk= 0, iat= 832, 890, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 55 PHE HA 75 LEU QQD 3.17 (#peak 1156)
&rst
ixpk= 1156, nxpk= 0, iat= 832, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1156,1157,1158,1160,1161,1162,
&end
#
# 55 PHE HB2 75 LEU QD1 5.55 (#peak 1159 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1159, nxpk= 0, iat= 834, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr2=1156,1157,1158,
&end
#
# 55 PHE HB2 75 LEU QD2 5.55 (#peak 1974 #SUP 0.54 #QF 0.54)
&rst
ixpk= 1974, nxpk= 0, iat= 834, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr2=1160,1161,1162,
&end
#
# 55 PHE HB3 75 LEU QD1 5.55 (#peak 1159)
&rst
ixpk= 1159, nxpk= 0, iat= 835, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr2=1156,1157,1158,
&end
#
# 55 PHE HB3 75 LEU QD2 5.55 (#peak 2603 #SUP 0.48 #QF 0.48)
&rst
ixpk= 2603, nxpk= 0, iat= 835, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr2=1160,1161,1162,
&end
#
# 55 PHE HN 55 PHE QB 3.66 (#peak 759)
&rst
ixpk= 759, nxpk= 0, iat= 830, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 834, 835,
&end
#
# 55 PHE HN 55 PHE QD 4.04 (#peak 265 #SUP 0.99 #QF 0.99)
&rst
ixpk= 265, nxpk= 0, iat= 830, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 838, 846,
&end
#
# 55 PHE HN 56 SER HB2 4.98 (#peak 2607 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2607, nxpk= 0, iat= 830, 854, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 55 PHE HN 56 SER HB3 5.24 (#peak 2608 #SUP 0.80 #QF 0.80)
&rst
ixpk= 2608, nxpk= 0, iat= 830, 855, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 55 PHE HN 56 SER HN 3.77 (#peak 425 #SUP 0.97 #QF 0.97)
&rst
ixpk= 425, nxpk= 0, iat= 830, 850, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 55 PHE HN 75 LEU QQD 3.51 (#peak 1149)
&rst
ixpk= 1149, nxpk= 0, iat= 830, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1156,1157,1158,1160,1161,1162,
&end
#
# 55 PHE QB 56 SER HN 4.01 (#peak 430)
&rst
ixpk= 430, nxpk= 0, iat= -1, 850, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 834, 835,
&end
#
# 55 PHE QB 75 LEU QQD 3.57 (#peak 1159)
&rst
ixpk= 1159, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 834, 835,
igr2=1156,1157,1158,1160,1161,1162,
&end
#
# 55 PHE QD 56 SER HA 4.20 (#peak 822 #SUP 0.94 #QF 0.94)
&rst
ixpk= 822, nxpk= 0, iat= -1, 852, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 838, 846,
&end
#
# 55 PHE QD 56 SER HB2 4.49 (#peak 2499 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2499, nxpk= 0, iat= -1, 854, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 838, 846,
&end
#
# 55 PHE QD 56 SER HB3 5.22 (#peak 2605 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2605, nxpk= 0, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 838, 846,
&end
#
# 55 PHE QD 56 SER HN 4.01 (#peak 432 #SUP 0.99 #QF 0.99)
&rst
ixpk= 432, nxpk= 0, iat= -1, 850, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 838, 846,
&end
#
# 55 PHE QD 75 LEU HB3 5.50 (#peak 2408 #SUP 0.33 #QF 0.33)
&rst
ixpk= 2408, nxpk= 0, iat= -1,1152, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 838, 846,
&end
#
# 55 PHE QD 75 LEU QQD 3.91 (#peak 26)
&rst
ixpk= 26, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 838, 846,
igr2=1156,1157,1158,1160,1161,1162,
&end
#
# 56 SER HA 58 GLY HN 5.16 (#peak 1976 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1976, nxpk= 0, iat= 852, 883, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 56 SER HB2 57 LYS+ HN 4.09 (#peak 712 #SUP 0.98 #QF 0.98)
&rst
ixpk= 712, nxpk= 0, iat= 854, 861, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 56 SER HB3 57 LYS+ HN 3.64 (#peak 324 #SUP 0.93 #QF 0.93)
&rst
ixpk= 324, nxpk= 0, iat= 855, 861, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 56 SER HN 56 SER HB2 3.40 (#peak 428 #SUP 1.00)
&rst
ixpk= 428, nxpk= 0, iat= 850, 854, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 56 SER HN 56 SER HB3 3.50 (#peak 713 #SUP 0.98 #QF 0.98)
&rst
ixpk= 713, nxpk= 0, iat= 850, 855, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 56 SER HN 57 LYS+ HB2 4.77 (#peak 663 #SUP 0.42 #QF 0.42)
&rst
ixpk= 663, nxpk= 0, iat= 850, 865, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 56 SER HN 57 LYS+ HN 3.74 (#peak 320 #SUP 0.99 #QF 0.99)
&rst
ixpk= 320, nxpk= 0, iat= 850, 861, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 56 SER HN 58 GLY HN 4.48 (#peak 786 #SUP 0.97 #QF 0.97)
&rst
ixpk= 786, nxpk= 0, iat= 850, 883, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 56 SER HN 75 LEU QQD 4.21 (#peak 1167)
&rst
ixpk= 1167, nxpk= 0, iat= 850, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1156,1157,1158,1160,1161,1162,
&end
#
# 57 LYS+ HA 57 LYS+ HD2 4.88 (#peak 2412 #SUP 0.76 #QF 0.76)
&rst
ixpk= 2412, nxpk= 0, iat= 863, 871, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 57 LYS+ HA 57 LYS+ HD3 4.50 (#peak 845 #SUP 1.00)
&rst
ixpk= 845, nxpk= 0, iat= 863, 872, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 57 LYS+ HA 57 LYS+ HE3 4.70 (#peak 2540 #SUP 0.84 #QF 0.84)
&rst
ixpk= 2540, nxpk= 0, iat= 863, 875, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 57 LYS+ HA 57 LYS+ HG3 3.84 (#peak 1068 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1068, nxpk= 0, iat= 863, 869, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 57 LYS+ HA 58 GLY HA3 5.09 (#peak 1247 #SUP 0.92 #QF 0.86)
&rst
ixpk= 1247, nxpk= 0, iat= 863, 886, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 57 LYS+ HA 59 LYS+ HN 5.04 (#peak 2612 #SUP 0.95 #QF 0.95)
&rst
ixpk= 2612, nxpk= 0, iat= 863, 890, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 57 LYS+ HB2 57 LYS+ HE2 3.57 (#peak 309 #SUP 0.95 #QF 0.44)
&rst
ixpk= 309, nxpk= 0, iat= 865, 874, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 57 LYS+ HB2 57 LYS+ HE3 4.56 (#peak 2409 #SUP 0.30 #QF 0.30)
&rst
ixpk= 2409, nxpk= 0, iat= 865, 875, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 57 LYS+ HB3 57 LYS+ HD2 4.12 (#peak 2615 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2615, nxpk= 0, iat= 866, 871, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 57 LYS+ HB3 57 LYS+ HD3 4.22 (#peak 2538 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2538, nxpk= 0, iat= 866, 872, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 57 LYS+ HB3 57 LYS+ HE3 4.07 (#peak 2620 #SUP 0.67 #QF 0.67)
&rst
ixpk= 2620, nxpk= 0, iat= 866, 875, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 57 LYS+ HB3 58 GLY HA3 5.50 (#peak 1978 #SUP 1.00 #QF 0.98)
&rst
ixpk= 1978, nxpk= 0, iat= 866, 886, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 LYS+ HB3 58 GLY HN 4.45 (#peak 664 #SUP 0.93 #QF 0.93)
&rst
ixpk= 664, nxpk= 0, iat= 866, 883, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 57 LYS+ HB3 59 LYS+ HG2 4.57 (#peak 559 #SUP 1.00 #QF 0.99)
&rst
ixpk= 559, nxpk= 0, iat= 866, 897, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 57 LYS+ HB3 59 LYS+ HN 4.25 (#peak 387 #SUP 0.98 #QF 0.98)
&rst
ixpk= 387, nxpk= 0, iat= 866, 890, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 57 LYS+ HE2 59 LYS+ HD2 3.70 (#peak 309 #SUP 0.95 #QF 0.44)
&rst
ixpk= 309, nxpk= 0, iat= 874, 900, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 57 LYS+ HE2 59 LYS+ HD3 4.33 (#peak 835 #SUP 1.00)
&rst
ixpk= 835, nxpk= 0, iat= 874, 901, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 57 LYS+ HE2 59 LYS+ HG2 4.08 (#peak 1111 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1111, nxpk= 0, iat= 874, 897, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 57 LYS+ HE2 59 LYS+ HG3 4.48 (#peak 1109 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1109, nxpk= 0, iat= 874, 898, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 57 LYS+ HE2 59 LYS+ HN 4.99 (#peak 828 #SUP 0.84 #QF 0.84)
&rst
ixpk= 828, nxpk= 0, iat= 874, 890, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 57 LYS+ HE3 59 LYS+ HG2 4.15 (#peak 1112 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1112, nxpk= 0, iat= 875, 897, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 57 LYS+ HE3 59 LYS+ HG3 4.98 (#peak 1107 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1107, nxpk= 0, iat= 875, 898, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 57 LYS+ HE3 59 LYS+ HN 4.63 (#peak 827 #SUP 0.95 #QF 0.95)
&rst
ixpk= 827, nxpk= 0, iat= 875, 890, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 57 LYS+ HG2 57 LYS+ HE3 4.02 (#peak 2537 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2537, nxpk= 0, iat= 868, 875, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 57 LYS+ HG3 57 LYS+ HE3 4.00 (#peak 1066 #SUP 0.84 #QF 0.84)
&rst
ixpk= 1066, nxpk= 0, iat= 869, 875, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 57 LYS+ HG3 58 GLY HN 4.90 (#peak 2410 #SUP 0.84 #QF 0.84)
&rst
ixpk= 2410, nxpk= 0, iat= 869, 883, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 57 LYS+ HN 57 LYS+ HB3 3.71 (#peak 328 #SUP 0.95 #QF 0.95)
&rst
ixpk= 328, nxpk= 0, iat= 861, 866, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 57 LYS+ HN 57 LYS+ HD2 4.84 (#peak 2411 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2411, nxpk= 0, iat= 861, 871, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 57 LYS+ HN 57 LYS+ HD3 3.60 (#peak 330 #SUP 0.99 #QF 0.99)
&rst
ixpk= 330, nxpk= 0, iat= 861, 872, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 57 LYS+ HN 57 LYS+ HE3 4.83 (#peak 327 #SUP 1.00)
&rst
ixpk= 327, nxpk= 0, iat= 861, 875, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 57 LYS+ HN 57 LYS+ HG2 4.60 (#peak 1981 #SUP 0.83 #QF 0.83)
&rst
ixpk= 1981, nxpk= 0, iat= 861, 868, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 57 LYS+ HN 57 LYS+ HG3 3.59 (#peak 331 #SUP 0.99 #QF 0.99)
&rst
ixpk= 331, nxpk= 0, iat= 861, 869, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 57 LYS+ HN 58 GLY HA2 4.82 (#peak 326 #SUP 0.98 #QF 0.98)
&rst
ixpk= 326, nxpk= 0, iat= 861, 885, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 57 LYS+ HN 58 GLY HN 3.46 (#peak 322 #SUP 1.00)
&rst
ixpk= 322, nxpk= 0, iat= 861, 883, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 57 LYS+ HN 59 LYS+ HN 4.19 (#peak 321 #SUP 1.00)
&rst
ixpk= 321, nxpk= 0, iat= 861, 890, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 58 GLY HA3 59 LYS+ HB3 5.50 (#peak 2413 #SUP 0.99 #QF 0.87)
&rst
ixpk= 2413, nxpk= 0, iat= 886, 895, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 GLY HA3 59 LYS+ HN 3.51 (#peak 395 #SUP 0.98 #QF 0.98)
&rst
ixpk= 395, nxpk= 0, iat= 886, 890, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 58 GLY HN 59 LYS+ HA 4.75 (#peak 2616 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2616, nxpk= 0, iat= 883, 892, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 58 GLY HN 59 LYS+ HG2 4.52 (#peak 2415 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2415, nxpk= 0, iat= 883, 897, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 58 GLY HN 59 LYS+ HG3 3.86 (#peak 543 #SUP 0.74 #QF 0.74)
&rst
ixpk= 543, nxpk= 0, iat= 883, 898, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 58 GLY HN 59 LYS+ HN 3.28 (#peak 390 #SUP 0.99 #QF 0.99)
&rst
ixpk= 390, nxpk= 0, iat= 883, 890, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 59 LYS+ HA 59 LYS+ HD3 5.03 (#peak 839 #SUP 1.00)
&rst
ixpk= 839, nxpk= 0, iat= 892, 901, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 59 LYS+ HA 59 LYS+ HG2 3.82 (#peak 1202 #SUP 0.26 #QF 0.26)
&rst
ixpk= 1202, nxpk= 0, iat= 892, 897, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 59 LYS+ HA 60 LYS+ HN 3.28 (#peak 1199 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1199, nxpk= 0, iat= 892, 912, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 59 LYS+ HA 61 ASN HN 4.19 (#peak 1197 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1197, nxpk= 0, iat= 892, 934, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 59 LYS+ HB2 60 LYS+ HN 3.87 (#peak 364 #SUP 0.96 #QF 0.71)
&rst
ixpk= 364, nxpk= 0, iat= 894, 912, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 59 LYS+ HB2 61 ASN HN 3.43 (#peak 522 #SUP 0.99 #QF 0.90)
&rst
ixpk= 522, nxpk= 0, iat= 894, 934, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 59 LYS+ HB2 62 THR HB 4.97 (#peak 2268 #SUP 0.77 #QF 0.77)
&rst
ixpk= 2268, nxpk= 0, iat= 894, 952, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 59 LYS+ HB3 60 LYS+ HN 3.85 (#peak 362 #SUP 0.91 #QF 0.83)
&rst
ixpk= 362, nxpk= 0, iat= 895, 912, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 59 LYS+ HB3 61 ASN HN 4.20 (#peak 525 #SUP 0.98 #QF 0.98)
&rst
ixpk= 525, nxpk= 0, iat= 895, 934, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 59 LYS+ HB3 62 THR HB 5.50 (#peak 2413 #SUP 0.99 #QF 0.87)
&rst
ixpk= 2413, nxpk= 0, iat= 895, 952, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 LYS+ HD2 61 ASN HN 4.98 (#peak 867 #SUP 0.87 #QF 0.87)
&rst
ixpk= 867, nxpk= 0, iat= 900, 934, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 59 LYS+ HD2 62 THR HB 4.00 (#peak 844 #SUP 1.00)
&rst
ixpk= 844, nxpk= 0, iat= 900, 952, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 59 LYS+ HD2 62 THR QG2 4.08 (#peak 868 #SUP 0.83 #QF 0.83)
&rst
ixpk= 868, nxpk= 0, iat= 900, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 954, 955, 956,
&end
#
# 59 LYS+ HD2 75 LEU QQD 4.54 (#peak 1163)
&rst
ixpk= 1163, nxpk= 0, iat= 900, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=1156,1157,1158,1160,1161,1162,
&end
#
# 59 LYS+ HD3 61 ASN HN 3.48 (#peak 526 #SUP 0.95 #QF 0.95)
&rst
ixpk= 526, nxpk= 0, iat= 901, 934, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 59 LYS+ HD3 62 THR HB 3.66 (#peak 840 #SUP 0.97 #QF 0.97)
&rst
ixpk= 840, nxpk= 0, iat= 901, 952, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 59 LYS+ HD3 62 THR HN 4.52 (#peak 667 #SUP 0.96 #QF 0.96)
&rst
ixpk= 667, nxpk= 0, iat= 901, 948, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 59 LYS+ HD3 62 THR QG2 4.58 (#peak 1568 #SUP 1.00 #QF 0.99)
&rst
ixpk= 1568, nxpk= 0, iat= 901, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 954, 955, 956,
&end
#
# 59 LYS+ HG2 60 LYS+ HN 5.21 (#peak 2414 #SUP 1.00)
&rst
ixpk= 2414, nxpk= 0, iat= 897, 912, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 59 LYS+ HG3 60 LYS+ HN 4.25 (#peak 2417 #SUP 0.67 #QF 0.67)
&rst
ixpk= 2417, nxpk= 0, iat= 898, 912, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 59 LYS+ HN 59 LYS+ HB3 3.66 (#peak 397 #SUP 0.95 #QF 0.95)
&rst
ixpk= 397, nxpk= 0, iat= 890, 895, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 59 LYS+ HN 59 LYS+ HD2 4.36 (#peak 843 #SUP 0.79 #QF 0.79)
&rst
ixpk= 843, nxpk= 0, iat= 890, 900, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 59 LYS+ HN 59 LYS+ HD3 4.68 (#peak 838 #SUP 1.00)
&rst
ixpk= 838, nxpk= 0, iat= 890, 901, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 59 LYS+ HN 59 LYS+ HG2 3.79 (#peak 1114 #SUP 1.00)
&rst
ixpk= 1114, nxpk= 0, iat= 890, 897, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 59 LYS+ HN 59 LYS+ HG3 3.15 (#peak 400 #SUP 0.92 #QF 0.92)
&rst
ixpk= 400, nxpk= 0, iat= 890, 898, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 59 LYS+ HN 60 LYS+ HN 4.65 (#peak 389 #SUP 1.00)
&rst
ixpk= 389, nxpk= 0, iat= 890, 912, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 59 LYS+ HN 61 ASN HN 5.29 (#peak 391 #SUP 0.99 #QF 0.99)
&rst
ixpk= 391, nxpk= 0, iat= 890, 934, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 59 LYS+ HN 75 LEU QQD 4.98 (#peak 1168)
&rst
ixpk= 1168, nxpk= 0, iat= 890, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr2=1156,1157,1158,1160,1161,1162,
&end
#
# 60 LYS+ HA 60 LYS+ HG2 3.86 (#peak 1137 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1137, nxpk= 0, iat= 914, 919, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 60 LYS+ HA 60 LYS+ HG3 3.80 (#peak 1143 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1143, nxpk= 0, iat= 914, 920, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 60 LYS+ HA 61 ASN HN 3.49 (#peak 519 #SUP 0.99 #QF 0.99)
&rst
ixpk= 519, nxpk= 0, iat= 914, 934, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 60 LYS+ HA 75 LEU HB2 3.29 (#peak 1128 #SUP 0.96 #QF 0.95)
&rst
ixpk= 1128, nxpk= 0, iat= 914,1151, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 60 LYS+ HA 75 LEU QQD 3.68 (#peak 1157)
&rst
ixpk= 1157, nxpk= 0, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=1156,1157,1158,1160,1161,1162,
&end
#
# 60 LYS+ HA 76 GLU- QG 3.79 (#peak 481)
&rst
ixpk= 481, nxpk= 0, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2=1173,1174,
&end
#
# 60 LYS+ HB2 61 ASN HD21 4.33 (#peak 456 #SUP 0.70 #QF 0.70)
&rst
ixpk= 456, nxpk= 0, iat= 916, 943, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 60 LYS+ HB2 61 ASN HD22 5.50 (#peak 2542 #SUP 0.95 #QF 0.95)
&rst
ixpk= 2542, nxpk= 0, iat= 916, 944, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 LYS+ HB2 61 ASN HN 4.55 (#peak 604 #SUP 0.90 #QF 0.90)
&rst
ixpk= 604, nxpk= 0, iat= 916, 934, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 60 LYS+ HB3 61 ASN HD21 4.33 (#peak 458 #SUP 0.75 #QF 0.75)
&rst
ixpk= 458, nxpk= 0, iat= 917, 943, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 60 LYS+ HB3 61 ASN HD22 5.50 (#peak 2547 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2547, nxpk= 0, iat= 917, 944, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 LYS+ HB3 61 ASN HN 4.55 (#peak 596 #SUP 1.00)
&rst
ixpk= 596, nxpk= 0, iat= 917, 934, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 60 LYS+ HD2 76 GLU- HG2 5.50 (#peak 2563 #SUP 0.99 #QF 0.88)
&rst
ixpk= 2563, nxpk= 0, iat= 922,1173, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 LYS+ HD2 76 GLU- HG3 5.50 (#peak 483 #SUP 0.96 #QF 0.81)
&rst
ixpk= 483, nxpk= 0, iat= 922,1174, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 LYS+ HD3 76 GLU- HG2 5.50 (#peak 2563 #SUP 0.99 #QF 0.88)
&rst
ixpk= 2563, nxpk= 0, iat= 923,1173, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 LYS+ HD3 76 GLU- HG3 5.50 (#peak 483 #SUP 0.96 #QF 0.81)
&rst
ixpk= 483, nxpk= 0, iat= 923,1174, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 LYS+ HG2 60 LYS+ HE2 4.03 (#peak 1138 #SUP 0.96 #QF 0.76)
&rst
ixpk= 1138, nxpk= 0, iat= 919, 925, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 60 LYS+ HG2 60 LYS+ HE3 4.03 (#peak 1138 #SUP 0.96 #QF 0.76)
&rst
ixpk= 1138, nxpk= 0, iat= 919, 926, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 60 LYS+ HG2 60 LYS+ QE 3.48 (#peak 1138)
&rst
ixpk= 1138, nxpk= 0, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2= 925, 926,
&end
#
# 60 LYS+ HG2 61 ASN HD21 4.56 (#peak 762 #SUP 0.89 #QF 0.89)
&rst
ixpk= 762, nxpk= 0, iat= 919, 943, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 60 LYS+ HG2 61 ASN HN 4.39 (#peak 1987 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1987, nxpk= 0, iat= 919, 934, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 60 LYS+ HG2 76 GLU- HG2 5.04 (#peak 1139 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1139, nxpk= 0, iat= 919,1173, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 60 LYS+ HG2 76 GLU- HG3 5.04 (#peak 1989 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1989, nxpk= 0, iat= 919,1174, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 60 LYS+ HG2 76 GLU- QG 4.40 (#peak 1989)
&rst
ixpk= 1989, nxpk= 0, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1173,1174,
&end
#
# 60 LYS+ HG3 61 ASN HN 4.37 (#peak 1990 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1990, nxpk= 0, iat= 920, 934, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 60 LYS+ HG3 76 GLU- HG2 4.23 (#peak 1146 #SUP 0.87 #QF 0.87)
&rst
ixpk= 1146, nxpk= 0, iat= 920,1173, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 60 LYS+ HG3 76 GLU- HG3 4.23 (#peak 484 #SUP 0.90 #QF 0.90)
&rst
ixpk= 484, nxpk= 0, iat= 920,1174, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 60 LYS+ HG3 76 GLU- QG 3.66 (#peak 1146)
&rst
ixpk= 1146, nxpk= 0, iat= 920, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1173,1174,
&end
#
# 60 LYS+ HN 60 LYS+ HB2 3.90 (#peak 590 #SUP 0.99 #QF 0.99)
&rst
ixpk= 590, nxpk= 0, iat= 912, 916, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 60 LYS+ HN 60 LYS+ HB3 3.90 (#peak 363 #SUP 1.00)
&rst
ixpk= 363, nxpk= 0, iat= 912, 917, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 60 LYS+ HN 60 LYS+ HG2 3.69 (#peak 1136 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1136, nxpk= 0, iat= 912, 919, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 60 LYS+ HN 60 LYS+ HG3 3.79 (#peak 365 #SUP 0.84 #QF 0.84)
&rst
ixpk= 365, nxpk= 0, iat= 912, 920, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 60 LYS+ HN 60 LYS+ QB 3.37 (#peak 363)
&rst
ixpk= 363, nxpk= 0, iat= 912, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 916, 917,
&end
#
# 60 LYS+ HN 61 ASN HN 3.25 (#peak 523 #SUP 0.98 #QF 0.98)
&rst
ixpk= 523, nxpk= 0, iat= 912, 934, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 60 LYS+ QB 60 LYS+ QE 4.70 (#peak 594)
&rst
ixpk= 594, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 916, 917,
igr2= 925, 926,
&end
#
# 60 LYS+ QB 61 ASN HD21 3.81 (#peak 458)
&rst
ixpk= 458, nxpk= 0, iat= -1, 943, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 916, 917,
&end
#
# 60 LYS+ QB 61 ASN HN 4.00 (#peak 604)
&rst
ixpk= 604, nxpk= 0, iat= -1, 934, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 916, 917,
&end
#
# 60 LYS+ QB 76 GLU- QG 4.04 (#peak 482)
&rst
ixpk= 482, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 916, 917,
igr2=1173,1174,
&end
#
# 60 LYS+ QD 76 GLU- QG 4.15 (#peak 2563)
&rst
ixpk= 2563, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 922, 923,
igr2=1173,1174,
&end
#
# 60 LYS+ QE 61 ASN HD22 4.73 (#peak 452)
&rst
ixpk= 452, nxpk= 0, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 925, 926,
&end
#
# 61 ASN HA 61 ASN HD21 4.54 (#peak 830 #SUP 0.99 #QF 0.99)
&rst
ixpk= 830, nxpk= 0, iat= 936, 943, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 61 ASN HA 61 ASN HD22 5.21 (#peak 461 #SUP 0.89 #QF 0.89)
&rst
ixpk= 461, nxpk= 0, iat= 936, 944, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 61 ASN HA 62 THR HA 4.95 (#peak 2000 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2000, nxpk= 0, iat= 936, 950, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 61 ASN HA 62 THR HN 3.51 (#peak 506 #SUP 0.99 #QF 0.99)
&rst
ixpk= 506, nxpk= 0, iat= 936, 948, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 61 ASN HA 62 THR QG2 4.82 (#peak 83 #SUP 0.97 #QF 0.73)
&rst
ixpk= 83, nxpk= 0, iat= 936, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 954, 955, 956,
&end
#
# 61 ASN HA 72 VAL QQG 4.51 (#peak 1500)
&rst
ixpk= 1500, nxpk= 0, iat= 936, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2=1115,1116,1117,1119,1120,1121,
&end
#
# 61 ASN HA 75 LEU HA 5.50 (#peak 1993 #SUP 0.98 #QF 0.96)
&rst
ixpk= 1993, nxpk= 0, iat= 936,1149, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 ASN HA 75 LEU HB2 5.04 (#peak 1992 #SUP 0.86 #QF 0.50)
&rst
ixpk= 1992, nxpk= 0, iat= 936,1151, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 61 ASN HA 75 LEU HG 4.99 (#peak 908 #SUP 1.00)
&rst
ixpk= 908, nxpk= 0, iat= 936,1154, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 61 ASN HA 75 LEU HN 4.71 (#peak 693 #SUP 0.82 #QF 0.82)
&rst
ixpk= 693, nxpk= 0, iat= 936,1147, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 61 ASN HA 75 LEU QD1 4.97 (#peak 1154 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1154, nxpk= 0, iat= 936, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=1156,1157,1158,
&end
#
# 61 ASN HA 75 LEU QD2 4.97 (#peak 83 #SUP 0.97 #QF 0.73)
&rst
ixpk= 83, nxpk= 0, iat= 936, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=1160,1161,1162,
&end
#
# 61 ASN HA 75 LEU QQD 3.70 (#peak 1154)
&rst
ixpk= 1154, nxpk= 0, iat= 936, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2=1156,1157,1158,1160,1161,1162,
&end
#
# 61 ASN HB2 62 THR HA 4.95 (#peak 1995 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1995, nxpk= 0, iat= 938, 950, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 61 ASN HB2 62 THR HN 3.62 (#peak 509 #SUP 0.99 #QF 0.99)
&rst
ixpk= 509, nxpk= 0, iat= 938, 948, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 61 ASN HB2 72 VAL QQG 3.47 (#peak 1497)
&rst
ixpk= 1497, nxpk= 0, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1115,1116,1117,1119,1120,1121,
&end
#
# 61 ASN HB3 61 ASN HD21 3.54 (#peak 457 #SUP 0.88 #QF 0.88)
&rst
ixpk= 457, nxpk= 0, iat= 939, 943, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 61 ASN HB3 62 THR HN 4.26 (#peak 332 #SUP 1.00)
&rst
ixpk= 332, nxpk= 0, iat= 939, 948, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 61 ASN HB3 72 VAL QQG 3.80 (#peak 331)
&rst
ixpk= 331, nxpk= 0, iat= 939, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1115,1116,1117,1119,1120,1121,
&end
#
# 61 ASN HD21 62 THR HN 5.29 (#peak 829 #SUP 0.96 #QF 0.96)
&rst
ixpk= 829, nxpk= 0, iat= 943, 948, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 61 ASN HD21 72 VAL QQG 4.93 (#peak 1493)
&rst
ixpk= 1493, nxpk= 0, iat= 943, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr2=1115,1116,1117,1119,1120,1121,
&end
#
# 61 ASN HD22 72 VAL QQG 4.72 (#peak 462)
&rst
ixpk= 462, nxpk= 0, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2=1115,1116,1117,1119,1120,1121,
&end
#
# 61 ASN HN 61 ASN HB2 4.09 (#peak 521 #SUP 0.99 #QF 0.99)
&rst
ixpk= 521, nxpk= 0, iat= 934, 938, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 61 ASN HN 61 ASN HB3 3.89 (#peak 520 #SUP 0.95 #QF 0.95)
&rst
ixpk= 520, nxpk= 0, iat= 934, 939, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 61 ASN HN 61 ASN HD22 4.55 (#peak 734 #SUP 0.91 #QF 0.91)
&rst
ixpk= 734, nxpk= 0, iat= 934, 944, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 61 ASN HN 62 THR HB 5.02 (#peak 735 #SUP 0.84 #QF 0.84)
&rst
ixpk= 735, nxpk= 0, iat= 934, 952, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 61 ASN HN 62 THR HN 4.28 (#peak 524 #SUP 0.92 #QF 0.92)
&rst
ixpk= 524, nxpk= 0, iat= 934, 948, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 61 ASN HN 75 LEU QQD 4.09 (#peak 761)
&rst
ixpk= 761, nxpk= 0, iat= 934, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=1156,1157,1158,1160,1161,1162,
&end
#
# 62 THR HA 62 THR QG2 3.39 (#peak 1563 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1563, nxpk= 0, iat= 950, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 954, 955, 956,
&end
#
# 62 THR HA 63 GLU- HA 4.88 (#peak 1999 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1999, nxpk= 0, iat= 950, 964, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 62 THR HA 63 GLU- HB2 4.60 (#peak 1997 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1997, nxpk= 0, iat= 950, 966, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 62 THR HA 63 GLU- HG3 4.51 (#peak 1998 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1998, nxpk= 0, iat= 950, 970, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 62 THR HA 63 GLU- HN 3.27 (#peak 887 #SUP 0.95 #QF 0.95)
&rst
ixpk= 887, nxpk= 0, iat= 950, 962, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 62 THR HA 73 ALA QB 5.08 (#peak 1529 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1529, nxpk= 0, iat= 950, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2=1129,1130,1131,
&end
#
# 62 THR HB 63 GLU- HN 4.05 (#peak 444 #SUP 0.98 #QF 0.98)
&rst
ixpk= 444, nxpk= 0, iat= 952, 962, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 62 THR HB 75 LEU QQD 4.81 (#peak 1158)
&rst
ixpk= 1158, nxpk= 0, iat= 952, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr2=1156,1157,1158,1160,1161,1162,
&end
#
# 62 THR HN 62 THR QG2 3.38 (#peak 1561 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1561, nxpk= 0, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 954, 955, 956,
&end
#
# 62 THR HN 63 GLU- HN 4.55 (#peak 668 #SUP 1.00)
&rst
ixpk= 668, nxpk= 0, iat= 948, 962, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 62 THR HN 72 VAL HA 5.27 (#peak 740 #SUP 0.96 #QF 0.96)
&rst
ixpk= 740, nxpk= 0, iat= 948,1111, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 62 THR HN 72 VAL QQG 3.81 (#peak 512)
&rst
ixpk= 512, nxpk= 0, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1115,1116,1117,1119,1120,1121,
&end
#
# 62 THR HN 73 ALA QB 3.82 (#peak 510 #SUP 0.71 #QF 0.71)
&rst
ixpk= 510, nxpk= 0, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1129,1130,1131,
&end
#
# 62 THR HN 75 LEU HG 5.50 (#peak 666 #SUP 0.73 #QF 0.73)
&rst
ixpk= 666, nxpk= 0, iat= 948,1154, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 THR QG2 63 GLU- HN 4.49 (#peak 1562 #SUP 0.79 #QF 0.51)
&rst
ixpk= 1562, nxpk= 0, iat= -1, 962, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 954, 955, 956,
&end
#
# 62 THR QG2 64 MET HB3 4.92 (#peak 1568 #SUP 1.00 #QF 0.99)
&rst
ixpk= 1568, nxpk= 0, iat= -1, 982, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 954, 955, 956,
&end
#
# 62 THR QG2 64 MET HG2 4.00 (#peak 663 #SUP 0.44 #QF 0.44)
&rst
ixpk= 663, nxpk= 0, iat= -1, 984, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 954, 955, 956,
&end
#
# 62 THR QG2 73 ALA HN 3.96 (#peak 30 #SUP 0.56 #QF 0.56)
&rst
ixpk= 30, nxpk= 0, iat= -1,1125, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 954, 955, 956,
&end
#
# 63 GLU- HA 63 GLU- HG2 3.93 (#peak 471 #SUP 1.00)
&rst
ixpk= 471, nxpk= 0, iat= 964, 969, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 63 GLU- HA 63 GLU- HG3 3.90 (#peak 475 #SUP 1.00)
&rst
ixpk= 475, nxpk= 0, iat= 964, 970, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 63 GLU- HA 64 MET HA 4.88 (#peak 2004 #SUP 1.00)
&rst
ixpk= 2004, nxpk= 0, iat= 964, 979, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 63 GLU- HA 64 MET HG3 4.42 (#peak 2011 #SUP 0.92 #QF 0.92)
&rst
ixpk= 2011, nxpk= 0, iat= 964, 985, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 63 GLU- HA 64 MET HN 3.37 (#peak 332 #SUP 0.98 #QF 0.98)
&rst
ixpk= 332, nxpk= 0, iat= 964, 977, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 63 GLU- HA 70 LEU QD1 4.34 (#peak 2492 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2492, nxpk= 0, iat= 964, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1078,1079,1080,
&end
#
# 63 GLU- HA 70 LEU QD2 4.54 (#peak 1295 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1295, nxpk= 0, iat= 964, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2=1082,1083,1084,
&end
#
# 63 GLU- HA 72 VAL HA 4.15 (#peak 68 #SUP 0.99 #QF 0.99)
&rst
ixpk= 68, nxpk= 0, iat= 964,1111, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 63 GLU- HA 72 VAL QG1 4.74 (#peak 66 #SUP 0.80 #QF 0.44)
&rst
ixpk= 66, nxpk= 0, iat= 964, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1115,1116,1117,
&end
#
# 63 GLU- HA 72 VAL QG2 4.74 (#peak 1501 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1501, nxpk= 0, iat= 964, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1119,1120,1121,
&end
#
# 63 GLU- HA 72 VAL QQG 3.87 (#peak 1501)
&rst
ixpk= 1501, nxpk= 0, iat= 964, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1115,1116,1117,1119,1120,1121,
&end
#
# 63 GLU- HA 73 ALA HN 4.37 (#peak 2394 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2394, nxpk= 0, iat= 964,1125, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 63 GLU- HB2 72 VAL HA 5.16 (#peak 2434 #SUP 0.56 #QF 0.56)
&rst
ixpk= 2434, nxpk= 0, iat= 966,1111, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 63 GLU- HB3 64 MET HN 3.44 (#peak 336 #SUP 0.92 #QF 0.92)
&rst
ixpk= 336, nxpk= 0, iat= 967, 977, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 63 GLU- HB3 70 LEU QD1 3.36 (#peak 1228 #SUP 0.58 #QF 0.58)
&rst
ixpk= 1228, nxpk= 0, iat= 967, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1078,1079,1080,
&end
#
# 63 GLU- HB3 70 LEU QD2 3.19 (#peak 2630 #SUP 0.64 #QF 0.52)
&rst
ixpk= 2630, nxpk= 0, iat= 967, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=1082,1083,1084,
&end
#
# 63 GLU- HG2 64 MET HN 4.20 (#peak 472 #SUP 0.94 #QF 0.94)
&rst
ixpk= 472, nxpk= 0, iat= 969, 977, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 63 GLU- HG2 70 LEU QD1 3.62 (#peak 1227 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1227, nxpk= 0, iat= 969, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2=1078,1079,1080,
&end
#
# 63 GLU- HG2 70 LEU QD2 4.03 (#peak 478 #SUP 0.97 #QF 0.97)
&rst
ixpk= 478, nxpk= 0, iat= 969, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1082,1083,1084,
&end
#
# 63 GLU- HG2 72 VAL HA 4.82 (#peak 2421 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2421, nxpk= 0, iat= 969,1111, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 63 GLU- HG2 72 VAL QG1 4.31 (#peak 474 #SUP 0.99 #QF 0.99)
&rst
ixpk= 474, nxpk= 0, iat= 969, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2=1115,1116,1117,
&end
#
# 63 GLU- HG2 72 VAL QG2 4.31 (#peak 2065 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2065, nxpk= 0, iat= 969, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2=1119,1120,1121,
&end
#
# 63 GLU- HG2 72 VAL QQG 3.70 (#peak 474)
&rst
ixpk= 474, nxpk= 0, iat= 969, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2=1115,1116,1117,1119,1120,1121,
&end
#
# 63 GLU- HG2 83 ARG+ QD 4.07 (#peak 232)
&rst
ixpk= 232, nxpk= 0, iat= 969, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2=1300,1301,
&end
#
# 63 GLU- HG3 64 MET HN 4.78 (#peak 462 #SUP 0.95 #QF 0.95)
&rst
ixpk= 462, nxpk= 0, iat= 970, 977, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 63 GLU- HG3 70 LEU QD1 3.78 (#peak 1232 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1232, nxpk= 0, iat= 970, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2=1078,1079,1080,
&end
#
# 63 GLU- HG3 72 VAL HA 4.36 (#peak 463 #SUP 0.87 #QF 0.35)
&rst
ixpk= 463, nxpk= 0, iat= 970,1111, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 63 GLU- HG3 72 VAL QG1 4.59 (#peak 476 #SUP 1.00)
&rst
ixpk= 476, nxpk= 0, iat= 970, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=1115,1116,1117,
&end
#
# 63 GLU- HG3 72 VAL QG2 4.59 (#peak 2066 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2066, nxpk= 0, iat= 970, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=1119,1120,1121,
&end
#
# 63 GLU- HG3 72 VAL QQG 4.01 (#peak 2066)
&rst
ixpk= 2066, nxpk= 0, iat= 970, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2=1115,1116,1117,1119,1120,1121,
&end
#
# 63 GLU- HN 63 GLU- HB2 3.15 (#peak 129 #SUP 0.58 #QF 0.58)
&rst
ixpk= 129, nxpk= 0, iat= 962, 966, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 63 GLU- HN 63 GLU- HB3 3.66 (#peak 608 #SUP 0.88 #QF 0.88)
&rst
ixpk= 608, nxpk= 0, iat= 962, 967, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 63 GLU- HN 63 GLU- HG2 4.16 (#peak 470 #SUP 0.99 #QF 0.99)
&rst
ixpk= 470, nxpk= 0, iat= 962, 969, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 63 GLU- HN 63 GLU- HG3 3.24 (#peak 465 #SUP 0.74 #QF 0.74)
&rst
ixpk= 465, nxpk= 0, iat= 962, 970, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 63 GLU- HN 64 MET HN 4.67 (#peak 670 #SUP 0.95 #QF 0.95)
&rst
ixpk= 670, nxpk= 0, iat= 962, 977, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 63 GLU- HN 70 LEU QD1 5.29 (#peak 2491 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2491, nxpk= 0, iat= 962, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2=1078,1079,1080,
&end
#
# 64 MET HA 64 MET HG2 3.80 (#peak 659 #SUP 0.99 #QF 0.99)
&rst
ixpk= 659, nxpk= 0, iat= 979, 984, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 64 MET HA 64 MET HG3 3.79 (#peak 668 #SUP 1.00)
&rst
ixpk= 668, nxpk= 0, iat= 979, 985, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 64 MET HA 65 LEU HB2 4.10 (#peak 1390 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1390, nxpk= 0, iat= 979, 998, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 64 MET HA 65 LEU HN 3.05 (#peak 46 #SUP 0.99 #QF 0.99)
&rst
ixpk= 46, nxpk= 0, iat= 979, 994, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 64 MET HA 70 LEU QD1 5.15 (#peak 2003 #SUP 0.70 #QF 0.70)
&rst
ixpk= 2003, nxpk= 0, iat= 979, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2=1078,1079,1080,
&end
#
# 64 MET HB2 65 LEU HN 3.90 (#peak 542 #SUP 1.00)
&rst
ixpk= 542, nxpk= 0, iat= 981, 994, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 64 MET HB2 66 ILE QG2 4.08 (#peak 209 #SUP 0.91 #QF 0.91)
&rst
ixpk= 209, nxpk= 0, iat= 981, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2=1019,1020,1021,
&end
#
# 64 MET HB2 70 LEU QD2 5.50 (#peak 2551 #SUP 0.95 #QF 0.47)
&rst
ixpk= 2551, nxpk= 0, iat= 981, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1082,1083,1084,
&end
#
# 64 MET HB3 65 LEU HN 3.78 (#peak 42 #SUP 1.00)
&rst
ixpk= 42, nxpk= 0, iat= 982, 994, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 64 MET HG2 64 MET QE 3.62 (#peak 661 #SUP 1.00 #QF 0.87)
&rst
ixpk= 661, nxpk= 0, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2= 988, 989, 990,
&end
#
# 64 MET HG2 65 LEU HN 5.11 (#peak 658 #SUP 1.00)
&rst
ixpk= 658, nxpk= 0, iat= 984, 994, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 64 MET HG2 70 LEU QD1 5.15 (#peak 664 #SUP 0.98 #QF 0.98)
&rst
ixpk= 664, nxpk= 0, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2=1078,1079,1080,
&end
#
# 64 MET HG2 71 TYR HN 4.72 (#peak 2012 #SUP 0.95 #QF 0.95)
&rst
ixpk= 2012, nxpk= 0, iat= 984,1088, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 64 MET HG2 71 TYR QB 4.39 (#peak 2007)
&rst
ixpk= 2007, nxpk= 0, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2=1092,1093,
&end
#
# 64 MET HG2 71 TYR QD 5.44 (#peak 2006 #SUP 0.93 #QF 0.93)
&rst
ixpk= 2006, nxpk= 0, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=1096,1105,
&end
#
# 64 MET HG2 73 ALA QB 3.44 (#peak 662 #SUP 0.89 #QF 0.89)
&rst
ixpk= 662, nxpk= 0, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1129,1130,1131,
&end
#
# 64 MET HG3 64 MET QE 2.88 (#peak 1617 #SUP 0.87 #QF 0.82)
&rst
ixpk= 1617, nxpk= 0, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2= 988, 989, 990,
&end
#
# 64 MET HG3 65 LEU HN 4.28 (#peak 667 #SUP 1.00)
&rst
ixpk= 667, nxpk= 0, iat= 985, 994, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 64 MET HG3 66 ILE QG2 3.86 (#peak 208 #SUP 0.78 #QF 0.78)
&rst
ixpk= 208, nxpk= 0, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1019,1020,1021,
&end
#
# 64 MET HG3 70 LEU QD1 4.44 (#peak 673 #SUP 0.93 #QF 0.93)
&rst
ixpk= 673, nxpk= 0, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=1078,1079,1080,
&end
#
# 64 MET HG3 71 TYR HN 4.54 (#peak 2013 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2013, nxpk= 0, iat= 985,1088, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 64 MET HG3 71 TYR QB 4.36 (#peak 2008)
&rst
ixpk= 2008, nxpk= 0, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1092,1093,
&end
#
# 64 MET HG3 73 ALA QB 4.69 (#peak 671 #SUP 1.00)
&rst
ixpk= 671, nxpk= 0, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=1129,1130,1131,
&end
#
# 64 MET HN 64 MET HB3 4.16 (#peak 544 #SUP 0.98 #QF 0.98)
&rst
ixpk= 544, nxpk= 0, iat= 977, 982, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 64 MET HN 64 MET HG2 3.70 (#peak 657 #SUP 0.99 #QF 0.99)
&rst
ixpk= 657, nxpk= 0, iat= 977, 984, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 64 MET HN 64 MET HG3 3.66 (#peak 666 #SUP 0.99 #QF 0.99)
&rst
ixpk= 666, nxpk= 0, iat= 977, 985, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 64 MET HN 65 LEU HN 4.64 (#peak 312 #SUP 0.96 #QF 0.96)
&rst
ixpk= 312, nxpk= 0, iat= 977, 994, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 64 MET HN 70 LEU HG 5.50 (#peak 2040 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2040, nxpk= 0, iat= 977,1076, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 MET HN 70 LEU QD1 3.86 (#peak 1212 #SUP 1.00 #QF 0.99)
&rst
ixpk= 1212, nxpk= 0, iat= 977, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1078,1079,1080,
&end
#
# 64 MET HN 70 LEU QD2 3.41 (#peak 1292 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1292, nxpk= 0, iat= 977, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1082,1083,1084,
&end
#
# 64 MET HN 71 TYR HN 4.07 (#peak 313 #SUP 0.96 #QF 0.96)
&rst
ixpk= 313, nxpk= 0, iat= 977,1088, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 64 MET HN 71 TYR QB 5.04 (#peak 2045)
&rst
ixpk= 2045, nxpk= 0, iat= 977, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1092,1093,
&end
#
# 64 MET HN 73 ALA HN 4.54 (#peak 26 #SUP 1.00 #QF 0.82)
&rst
ixpk= 26, nxpk= 0, iat= 977,1125, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 64 MET HN 73 ALA QB 5.50 (#peak 2625 #SUP 0.99 #QF 0.92)
&rst
ixpk= 2625, nxpk= 0, iat= 977, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1129,1130,1131,
&end
#
# 64 MET QE 111 ATP H2 5.50 (#peak 2014 #SUP 0.27 #QF 0.27)
&rst
ixpk= 2014, nxpk= 0, iat= -1,1781, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 988, 989, 990,
&end
#
# 64 MET QE 66 ILE HG12 5.19 (#peak 2244 #SUP 1.00)
&rst
ixpk= 2244, nxpk= 0, iat= -1,1023, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 988, 989, 990,
&end
#
# 64 MET QE 66 ILE QD1 5.50 (#peak 2033 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2033, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 988, 989, 990,
igr2=1026,1027,1028,
&end
#
# 64 MET QE 66 ILE QG2 3.15 (#peak 210 #SUP 1.00)
&rst
ixpk= 210, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 988, 989, 990,
igr2=1019,1020,1021,
&end
#
# 64 MET QE 71 TYR HA 4.17 (#peak 1613 #SUP 0.85 #QF 0.85)
&rst
ixpk= 1613, nxpk= 0, iat= -1,1090, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 988, 989, 990,
&end
#
# 64 MET QE 71 TYR HB2 3.28 (#peak 1615 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1615, nxpk= 0, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1= 988, 989, 990,
&end
#
# 64 MET QE 71 TYR HB3 3.28 (#peak 1616 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1616, nxpk= 0, iat= -1,1093, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1= 988, 989, 990,
&end
#
# 64 MET QE 71 TYR HN 4.36 (#peak 1604 #SUP 1.00)
&rst
ixpk= 1604, nxpk= 0, iat= -1,1088, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 988, 989, 990,
&end
#
# 64 MET QE 71 TYR QD 3.12 (#peak 1610 #SUP 0.81 #QF 0.81)
&rst
ixpk= 1610, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 988, 989, 990,
igr2=1096,1105,
&end
#
# 64 MET QE 71 TYR QE 5.25 (#peak 1727 #SUP 0.93 #QF 0.86)
&rst
ixpk= 1727, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
igr1= 988, 989, 990,
igr2=1098,1103,
&end
#
# 64 MET QE 73 ALA HA 4.10 (#peak 1614 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1614, nxpk= 0, iat= -1,1127, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 988, 989, 990,
&end
#
# 64 MET QE 73 ALA HN 4.20 (#peak 1609 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1609, nxpk= 0, iat= -1,1125, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 988, 989, 990,
&end
#
# 64 MET QE 73 ALA QB 3.21 (#peak 1618 #SUP 1.00)
&rst
ixpk= 1618, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,
igr1= 988, 989, 990,
igr2=1129,1130,1131,
&end
#
# 64 MET QE 80 GLN HA 4.35 (#peak 1612 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1612, nxpk= 0, iat= -1,1230, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 988, 989, 990,
&end
#
# 64 MET QE 80 GLN HN 5.50 (#peak 770 #SUP 0.90 #QF 0.90)
&rst
ixpk= 770, nxpk= 0, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 988, 989, 990,
&end
#
# 64 MET QE 80 GLN QB 3.19 (#peak 1617)
&rst
ixpk= 1617, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 988, 989, 990,
igr2=1232,1233,
&end
#
# 64 MET QE 92 ILE QG2 4.39 (#peak 2592 #SUP 0.75 #QF 0.75)
&rst
ixpk= 2592, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1= 988, 989, 990,
igr2=1467,1468,1469,
&end
#
# 65 LEU HA 65 LEU HG 3.75 (#peak 2425 #SUP 0.95 #QF 0.95)
&rst
ixpk= 2425, nxpk= 0, iat= 996,1001, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 65 LEU HA 65 LEU QD1 3.28 (#peak 2426 #SUP 0.91 #QF 0.91)
&rst
ixpk= 2426, nxpk= 0, iat= 996, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=1003,1004,1005,
&end
#
# 65 LEU HA 65 LEU QD2 3.03 (#peak 2427 #SUP 0.82 #QF 0.82)
&rst
ixpk= 2427, nxpk= 0, iat= 996, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2=1007,1008,1009,
&end
#
# 65 LEU HB2 65 LEU QD1 3.31 (#peak 272 #SUP 1.00)
&rst
ixpk= 272, nxpk= 0, iat= 998, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=1003,1004,1005,
&end
#
# 65 LEU HB2 65 LEU QD2 2.82 (#peak 1334 #SUP 0.96 #QF 0.54)
&rst
ixpk= 1334, nxpk= 0, iat= 998, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr2=1007,1008,1009,
&end
#
# 65 LEU HB2 66 ILE HN 4.30 (#peak 264 #SUP 1.00)
&rst
ixpk= 264, nxpk= 0, iat= 998,1013, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 65 LEU HB2 70 LEU QD2 4.17 (#peak 266 #SUP 0.82 #QF 0.82)
&rst
ixpk= 266, nxpk= 0, iat= 998, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1082,1083,1084,
&end
#
# 65 LEU HB3 65 LEU QD1 3.22 (#peak 268 #SUP 1.00)
&rst
ixpk= 268, nxpk= 0, iat= 999, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=1003,1004,1005,
&end
#
# 65 LEU HB3 65 LEU QD2 3.19 (#peak 1332 #SUP 1.00)
&rst
ixpk= 1332, nxpk= 0, iat= 999, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=1007,1008,1009,
&end
#
# 65 LEU HB3 66 ILE HN 4.32 (#peak 262 #SUP 0.96 #QF 0.96)
&rst
ixpk= 262, nxpk= 0, iat= 999,1013, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 65 LEU HG 66 ILE HN 4.35 (#peak 1008 #SUP 1.00)
&rst
ixpk= 1008, nxpk= 0, iat=1001,1013, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 65 LEU HN 65 LEU HB2 3.31 (#peak 47 #SUP 0.89 #QF 0.89)
&rst
ixpk= 47, nxpk= 0, iat= 994, 998, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 65 LEU HN 65 LEU HB3 3.33 (#peak 43 #SUP 0.99 #QF 0.99)
&rst
ixpk= 43, nxpk= 0, iat= 994, 999, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 65 LEU HN 65 LEU QD1 4.41 (#peak 1188 #SUP 1.00)
&rst
ixpk= 1188, nxpk= 0, iat= 994, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1003,1004,1005,
&end
#
# 65 LEU HN 65 LEU QD2 3.74 (#peak 1328 #SUP 1.00)
&rst
ixpk= 1328, nxpk= 0, iat= 994, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1007,1008,1009,
&end
#
# 65 LEU HN 66 ILE HN 4.62 (#peak 674 #SUP 0.99 #QF 0.99)
&rst
ixpk= 674, nxpk= 0, iat= 994,1013, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 65 LEU HN 66 ILE QG2 4.28 (#peak 202 #SUP 0.94 #QF 0.94)
&rst
ixpk= 202, nxpk= 0, iat= 994, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1019,1020,1021,
&end
#
# 65 LEU HN 70 LEU QD2 4.62 (#peak 1293 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1293, nxpk= 0, iat= 994, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2=1082,1083,1084,
&end
#
# 65 LEU QD1 66 ILE HN 3.62 (#peak 1187 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1187, nxpk= 0, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1=1003,1004,1005,
&end
#
# 65 LEU QD1 68 GLY HA2 3.80 (#peak 1191 #SUP 0.82 #QF 0.82)
&rst
ixpk= 1191, nxpk= 0, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=1003,1004,1005,
&end
#
# 65 LEU QD1 68 GLY HA3 4.78 (#peak 1192 #SUP 1.00)
&rst
ixpk= 1192, nxpk= 0, iat= -1,1045, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1=1003,1004,1005,
&end
#
# 65 LEU QD1 68 GLY HN 4.05 (#peak 1189 #SUP 0.77 #QF 0.77)
&rst
ixpk= 1189, nxpk= 0, iat= -1,1042, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1003,1004,1005,
&end
#
# 65 LEU QD1 69 PHE HN 4.26 (#peak 302 #SUP 0.65 #QF 0.65)
&rst
ixpk= 302, nxpk= 0, iat= -1,1049, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1003,1004,1005,
&end
#
# 65 LEU QD1 70 LEU HA 3.76 (#peak 1190 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1190, nxpk= 0, iat= -1,1071, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1=1003,1004,1005,
&end
#
# 65 LEU QD1 70 LEU HN 4.74 (#peak 1177 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1177, nxpk= 0, iat= -1,1069, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1003,1004,1005,
&end
#
# 65 LEU QD1 71 TYR HN 5.09 (#peak 1176 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1176, nxpk= 0, iat= -1,1088, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1003,1004,1005,
&end
#
# 65 LEU QD2 66 ILE HN 3.48 (#peak 1327 #SUP 1.00)
&rst
ixpk= 1327, nxpk= 0, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1=1007,1008,1009,
&end
#
# 65 LEU QD2 69 PHE HA 4.83 (#peak 2039 #SUP 0.91 #QF 0.91)
&rst
ixpk= 2039, nxpk= 0, iat= -1,1051, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1007,1008,1009,
&end
#
# 65 LEU QD2 69 PHE HN 4.27 (#peak 303 #SUP 0.97 #QF 0.97)
&rst
ixpk= 303, nxpk= 0, iat= -1,1049, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=1007,1008,1009,
&end
#
# 65 LEU QD2 70 LEU HA 3.46 (#peak 1329 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1329, nxpk= 0, iat= -1,1071, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1=1007,1008,1009,
&end
#
# 65 LEU QD2 70 LEU HB2 3.42 (#peak 1333 #SUP 0.66 #QF 0.66)
&rst
ixpk= 1333, nxpk= 0, iat= -1,1073, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1=1007,1008,1009,
&end
#
# 65 LEU QD2 70 LEU HN 4.48 (#peak 1323 #SUP 1.00)
&rst
ixpk= 1323, nxpk= 0, iat= -1,1069, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=1007,1008,1009,
&end
#
# 65 LEU QD2 71 TYR HN 4.21 (#peak 1322 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1322, nxpk= 0, iat= -1,1088, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1007,1008,1009,
&end
#
# 66 ILE HA 66 ILE QD1 4.09 (#peak 95 #SUP 1.00)
&rst
ixpk= 95, nxpk= 0, iat=1015, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1026,1027,1028,
&end
#
# 66 ILE HA 66 ILE QG2 3.60 (#peak 206 #SUP 1.00)
&rst
ixpk= 206, nxpk= 0, iat=1015, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2=1019,1020,1021,
&end
#
# 66 ILE HA 67 ALA HA 4.41 (#peak 893 #SUP 0.78 #QF 0.78)
&rst
ixpk= 893, nxpk= 0, iat=1015,1034, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 66 ILE HA 67 ALA QB 4.77 (#peak 890 #SUP 0.97 #QF 0.97)
&rst
ixpk= 890, nxpk= 0, iat=1015, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2=1036,1037,1038,
&end
#
# 66 ILE HA 68 GLY HN 4.67 (#peak 549 #SUP 0.88 #QF 0.88)
&rst
ixpk= 549, nxpk= 0, iat=1015,1042, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 66 ILE HA 69 PHE HN 4.87 (#peak 297 #SUP 0.81 #QF 0.81)
&rst
ixpk= 297, nxpk= 0, iat=1015,1049, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 66 ILE HA 71 TYR QE 5.50 (#peak 2241 #SUP 0.74 #QF 0.74)
&rst
ixpk= 2241, nxpk= 0, iat=1015, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1098,1103,
&end
#
# 66 ILE HB 66 ILE QD1 3.78 (#peak 402 #SUP 0.96 #QF 0.96)
&rst
ixpk= 402, nxpk= 0, iat=1017, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2=1026,1027,1028,
&end
#
# 66 ILE HB 71 TYR QD 4.38 (#peak 2057 #SUP 0.78 #QF 0.78)
&rst
ixpk= 2057, nxpk= 0, iat=1017, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1096,1105,
&end
#
# 66 ILE HB 71 TYR QE 3.90 (#peak 401 #SUP 0.71 #QF 0.71)
&rst
ixpk= 401, nxpk= 0, iat=1017, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1098,1103,
&end
#
# 66 ILE HG12 71 TYR QD 4.46 (#peak 2026 #SUP 0.85 #QF 0.85)
&rst
ixpk= 2026, nxpk= 0, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1096,1105,
&end
#
# 66 ILE HG13 69 PHE HA 4.56 (#peak 2430 #SUP 0.39 #QF 0.39)
&rst
ixpk= 2430, nxpk= 0, iat=1024,1051, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 66 ILE HG13 71 TYR QD 4.82 (#peak 2023 #SUP 0.89 #QF 0.89)
&rst
ixpk= 2023, nxpk= 0, iat=1024, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2=1096,1105,
&end
#
# 66 ILE HN 66 ILE HB 4.11 (#peak 22 #SUP 0.60 #QF 0.60)
&rst
ixpk= 22, nxpk= 0, iat=1013,1017, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 66 ILE HN 66 ILE HG12 4.56 (#peak 672 #SUP 0.98 #QF 0.98)
&rst
ixpk= 672, nxpk= 0, iat=1013,1023, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 66 ILE HN 66 ILE HG13 4.13 (#peak 18 #SUP 0.70 #QF 0.70)
&rst
ixpk= 18, nxpk= 0, iat=1013,1024, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 66 ILE HN 66 ILE QD1 4.02 (#peak 92 #SUP 1.00)
&rst
ixpk= 92, nxpk= 0, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1026,1027,1028,
&end
#
# 66 ILE HN 66 ILE QG2 3.61 (#peak 200 #SUP 0.94 #QF 0.94)
&rst
ixpk= 200, nxpk= 0, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1019,1020,1021,
&end
#
# 66 ILE HN 69 PHE HN 3.70 (#peak 292 #SUP 0.97 #QF 0.97)
&rst
ixpk= 292, nxpk= 0, iat=1013,1049, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 66 ILE HN 69 PHE QB 5.34 (#peak 2487)
&rst
ixpk= 2487, nxpk= 0, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1053,1054,
&end
#
# 66 ILE HN 70 LEU HA 4.30 (#peak 21 #SUP 0.95 #QF 0.95)
&rst
ixpk= 21, nxpk= 0, iat=1013,1071, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 66 ILE HN 70 LEU QD2 4.79 (#peak 1290 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1290, nxpk= 0, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=1082,1083,1084,
&end
#
# 66 ILE HN 71 TYR HN 5.23 (#peak 675 #SUP 0.99 #QF 0.99)
&rst
ixpk= 675, nxpk= 0, iat=1013,1088, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 66 ILE HN 71 TYR QD 5.14 (#peak 2063 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2063, nxpk= 0, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2=1096,1105,
&end
#
# 66 ILE HN 71 TYR QE 5.50 (#peak 1725 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1725, nxpk= 0, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1098,1103,
&end
#
# 66 ILE QD1 111 ATP H1' 4.56 (#peak 2030 #SUP 0.89 #QF 0.89)
&rst
ixpk= 2030, nxpk= 0, iat= -1,1769, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1=1026,1027,1028,
&end
#
# 66 ILE QD1 111 ATP H1' 5.00
&rst
ixpk= 2030, nxpk= 0, iat= -1,1769, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1026,1027,1028,
&end
#
# 66 ILE QD1 111 ATP H2 3.81 (#peak 93 #SUP 0.69 #QF 0.69)
&rst
ixpk= 93, nxpk= 0, iat= -1,1781, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1026,1027,1028,
&end
#
# 66 ILE QD1 111 ATP H2 5.00
&rst
ixpk= 93, nxpk= 0, iat= -1,1781, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1026,1027,1028,
&end
#
# 66 ILE QD1 111 ATP H8 4.91 (#peak 2032 #SUP 0.78 #QF 0.78)
&rst
ixpk= 2032, nxpk= 0, iat= -1,1772, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1=1026,1027,1028,
&end
#
# 66 ILE QD1 67 ALA HA 4.15 (#peak 96 #SUP 0.88 #QF 0.88)
&rst
ixpk= 96, nxpk= 0, iat= -1,1034, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1=1026,1027,1028,
&end
#
# 66 ILE QD1 67 ALA HN 3.74 (#peak 91 #SUP 0.99 #QF 0.99)
&rst
ixpk= 91, nxpk= 0, iat= -1,1032, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1026,1027,1028,
&end
#
# 66 ILE QD1 67 ALA QB 2.98 (#peak 1667 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1667, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=1026,1027,1028,
igr2=1036,1037,1038,
&end
#
# 66 ILE QD1 69 PHE HN 4.78 (#peak 764 #SUP 0.72 #QF 0.72)
&rst
ixpk= 764, nxpk= 0, iat= -1,1049, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1=1026,1027,1028,
&end
#
# 66 ILE QD1 69 PHE QD 4.78 (#peak 2031 #SUP 0.85 #QF 0.85)
&rst
ixpk= 2031, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1=1026,1027,1028,
igr2=1057,1065,
&end
#
# 66 ILE QD1 71 TYR QD 4.90 (#peak 2053 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2053, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1026,1027,1028,
igr2=1096,1105,
&end
#
# 66 ILE QD1 71 TYR QE 3.68 (#peak 94 #SUP 0.88 #QF 0.88)
&rst
ixpk= 94, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1=1026,1027,1028,
igr2=1098,1103,
&end
#
# 66 ILE QG2 111 ATP H2 4.20 (#peak 203 #SUP 0.68 #QF 0.68)
&rst
ixpk= 203, nxpk= 0, iat= -1,1781, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1019,1020,1021,
&end
#
# 66 ILE QG2 111 ATP H2 5.00
&rst
ixpk= 203, nxpk= 0, iat= -1,1781, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1019,1020,1021,
&end
#
# 66 ILE QG2 66 ILE HG12 2.78 (#peak 212 #SUP 0.97 #QF 0.97)
&rst
ixpk= 212, nxpk= 0, iat= -1,1023, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr1=1019,1020,1021,
&end
#
# 66 ILE QG2 66 ILE HG13 3.08 (#peak 213 #SUP 1.00)
&rst
ixpk= 213, nxpk= 0, iat= -1,1024, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1=1019,1020,1021,
&end
#
# 66 ILE QG2 66 ILE QD1 2.80 (#peak 214 #SUP 0.99 #QF 0.99)
&rst
ixpk= 214, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1019,1020,1021,
igr2=1026,1027,1028,
&end
#
# 66 ILE QG2 71 TYR HB2 4.47 (#peak 207 #SUP 1.00)
&rst
ixpk= 207, nxpk= 0, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1019,1020,1021,
&end
#
# 66 ILE QG2 71 TYR HB3 4.47 (#peak 2246 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2246, nxpk= 0, iat= -1,1093, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1019,1020,1021,
&end
#
# 66 ILE QG2 71 TYR HN 4.69 (#peak 2029 #SUP 0.90 #QF 0.90)
&rst
ixpk= 2029, nxpk= 0, iat= -1,1088, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1019,1020,1021,
&end
#
# 66 ILE QG2 71 TYR QB 3.86 (#peak 207)
&rst
ixpk= 207, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=1019,1020,1021,
igr2=1092,1093,
&end
#
# 66 ILE QG2 71 TYR QD 4.53 (#peak 2054 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2054, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1019,1020,1021,
igr2=1096,1105,
&end
#
# 66 ILE QG2 71 TYR QE 3.09 (#peak 205 #SUP 0.88 #QF 0.88)
&rst
ixpk= 205, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1=1019,1020,1021,
igr2=1098,1103,
&end
#
# 67 ALA HA 68 GLY HA3 4.98 (#peak 2034 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2034, nxpk= 0, iat=1034,1045, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 67 ALA HA 68 GLY HN 3.56 (#peak 1488 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1488, nxpk= 0, iat=1034,1042, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 67 ALA HN 67 ALA QB 3.01 (#peak 1663 #SUP 1.00)
&rst
ixpk= 1663, nxpk= 0, iat=1032, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2=1036,1037,1038,
&end
#
# 67 ALA HN 68 GLY HN 3.90 (#peak 553 #SUP 0.99 #QF 0.99)
&rst
ixpk= 553, nxpk= 0, iat=1032,1042, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 67 ALA QB 111 ATP H1' 4.22 (#peak 1662 #SUP 0.55 #QF 0.55)
&rst
ixpk= 1662, nxpk= 0, iat= -1,1769, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=1036,1037,1038,
&end
#
# 67 ALA QB 111 ATP H1' 5.00
&rst
ixpk= 1662, nxpk= 0, iat= -1,1769, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1036,1037,1038,
&end
#
# 67 ALA QB 111 ATP H2 5.00
&rst
ixpk= 1662, nxpk= 0, iat= -1,1781, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1036,1037,1038,
&end
#
# 67 ALA QB 68 GLY HA2 4.53 (#peak 2429 #SUP 0.63 #QF 0.63)
&rst
ixpk= 2429, nxpk= 0, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=1036,1037,1038,
&end
#
# 67 ALA QB 68 GLY HA3 4.11 (#peak 1666 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1666, nxpk= 0, iat= -1,1045, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1036,1037,1038,
&end
#
# 67 ALA QB 68 GLY HN 3.25 (#peak 1664 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1664, nxpk= 0, iat= -1,1042, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr1=1036,1037,1038,
&end
#
# 67 ALA QB 69 PHE HN 4.62 (#peak 301 #SUP 0.91 #QF 0.91)
&rst
ixpk= 301, nxpk= 0, iat= -1,1049, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1=1036,1037,1038,
&end
#
# 67 ALA QB 69 PHE QD 4.00 (#peak 19 #SUP 0.99 #QF 0.99)
&rst
ixpk= 19, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1036,1037,1038,
igr2=1057,1065,
&end
#
# 67 ALA QB 69 PHE QE 5.19 (#peak 2553 #SUP 0.95 #QF 0.95)
&rst
ixpk= 2553, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1=1036,1037,1038,
igr2=1059,1063,
&end
#
# 67 ALA QB 71 TYR QE 5.27 (#peak 2036 #SUP 0.63 #QF 0.63)
&rst
ixpk= 2036, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1=1036,1037,1038,
igr2=1098,1103,
&end
#
# 68 GLY HA2 69 PHE HN 3.55 (#peak 298 #SUP 0.99 #QF 0.99)
&rst
ixpk= 298, nxpk= 0, iat=1044,1049, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 69 PHE HA 69 PHE QD 3.77 (#peak 1235 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1235, nxpk= 0, iat=1051, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=1057,1065,
&end
#
# 69 PHE HA 70 LEU HB2 4.46 (#peak 2312 #SUP 0.72 #QF 0.72)
&rst
ixpk= 2312, nxpk= 0, iat=1051,1073, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 69 PHE HA 70 LEU HN 3.39 (#peak 167 #SUP 0.99 #QF 0.99)
&rst
ixpk= 167, nxpk= 0, iat=1051,1069, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 69 PHE HB2 70 LEU HN 4.10 (#peak 301 #SUP 0.42 #QF 0.42)
&rst
ixpk= 301, nxpk= 0, iat=1053,1069, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 69 PHE HB2 71 TYR QE 4.43 (#peak 1726 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1726, nxpk= 0, iat=1053, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1098,1103,
&end
#
# 69 PHE HB3 70 LEU HN 4.10 (#peak 168 #SUP 1.00)
&rst
ixpk= 168, nxpk= 0, iat=1054,1069, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 69 PHE HB3 71 TYR QE 4.43 (#peak 294 #SUP 0.56 #QF 0.56)
&rst
ixpk= 294, nxpk= 0, iat=1054, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1098,1103,
&end
#
# 69 PHE HN 69 PHE HB2 3.95 (#peak 299 #SUP 0.98 #QF 0.98)
&rst
ixpk= 299, nxpk= 0, iat=1049,1053, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 69 PHE HN 69 PHE HB3 3.95 (#peak 300 #SUP 0.96 #QF 0.96)
&rst
ixpk= 300, nxpk= 0, iat=1049,1054, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 69 PHE HN 69 PHE QB 3.27 (#peak 300)
&rst
ixpk= 300, nxpk= 0, iat=1049, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2=1053,1054,
&end
#
# 69 PHE HN 69 PHE QD 3.84 (#peak 294 #SUP 0.99 #QF 0.99)
&rst
ixpk= 294, nxpk= 0, iat=1049, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=1057,1065,
&end
#
# 69 PHE HN 70 LEU HN 4.48 (#peak 293 #SUP 0.99 #QF 0.99)
&rst
ixpk= 293, nxpk= 0, iat=1049,1069, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 69 PHE HN 71 TYR QE 5.38 (#peak 1723 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1723, nxpk= 0, iat=1049, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2=1098,1103,
&end
#
# 69 PHE QB 71 TYR QE 3.83 (#peak 294)
&rst
ixpk= 294, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1053,1054,
igr2=1098,1103,
&end
#
# 69 PHE QD 70 LEU HN 4.18 (#peak 15 #SUP 0.98 #QF 0.98)
&rst
ixpk= 15, nxpk= 0, iat= -1,1069, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1=1057,1065,
&end
#
# 69 PHE QD 71 TYR QE 4.63 (#peak 1722 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1722, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1=1057,1065,
igr2=1098,1103,
&end
#
# 69 PHE QD 82 ARG+ QD 4.53 (#peak 2150)
&rst
ixpk= 2150, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=1057,1065,
igr2=1276,1277,
&end
#
# 69 PHE QE 82 ARG+ QD 5.32 (#peak 2488)
&rst
ixpk= 2488, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1=1059,1063,
igr2=1276,1277,
&end
#
# 70 LEU HA 70 LEU HG 3.83 (#peak 1005 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1005, nxpk= 0, iat=1071,1076, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 70 LEU HA 70 LEU QD1 3.32 (#peak 1225 #SUP 0.99 #QF 0.98)
&rst
ixpk= 1225, nxpk= 0, iat=1071, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2=1078,1079,1080,
&end
#
# 70 LEU HA 70 LEU QD2 3.08 (#peak 1296 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1296, nxpk= 0, iat=1071, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1082,1083,1084,
&end
#
# 70 LEU HB2 70 LEU QD2 2.83 (#peak 1298 #SUP 0.98 #QF 0.52)
&rst
ixpk= 1298, nxpk= 0, iat=1073, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr2=1082,1083,1084,
&end
#
# 70 LEU HB3 70 LEU QD1 2.70 (#peak 1231 #SUP 0.95 #QF 0.60)
&rst
ixpk= 1231, nxpk= 0, iat=1074, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2=1078,1079,1080,
&end
#
# 70 LEU HB3 71 TYR HN 4.07 (#peak 38 #SUP 0.78 #QF 0.78)
&rst
ixpk= 38, nxpk= 0, iat=1074,1088, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 70 LEU HB3 83 ARG+ HD2 4.82 (#peak 255 #SUP 0.44 #QF 0.25)
&rst
ixpk= 255, nxpk= 0, iat=1074,1300, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 70 LEU HB3 83 ARG+ HD3 4.82 (#peak 255 #SUP 0.44 #QF 0.25)
&rst
ixpk= 255, nxpk= 0, iat=1074,1301, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 70 LEU HB3 83 ARG+ QD 4.12 (#peak 255)
&rst
ixpk= 255, nxpk= 0, iat=1074, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1300,1301,
&end
#
# 70 LEU HG 71 TYR HN 4.80 (#peak 1006 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1006, nxpk= 0, iat=1076,1088, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 70 LEU HG 83 ARG+ HD2 5.50 (#peak 2490 #SUP 1.00 #QF 0.96)
&rst
ixpk= 2490, nxpk= 0, iat=1076,1300, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 LEU HG 83 ARG+ HD3 5.50 (#peak 2490 #SUP 1.00 #QF 0.96)
&rst
ixpk= 2490, nxpk= 0, iat=1076,1301, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 LEU HG 83 ARG+ HG3 3.70 (#peak 1032 #SUP 0.46 #QF 0.46)
&rst
ixpk= 1032, nxpk= 0, iat=1076,1298, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 70 LEU HG 83 ARG+ QD 4.77 (#peak 2490)
&rst
ixpk= 2490, nxpk= 0, iat=1076, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2=1300,1301,
&end
#
# 70 LEU HN 70 LEU HB2 3.34 (#peak 169 #SUP 0.71 #QF 0.47)
&rst
ixpk= 169, nxpk= 0, iat=1069,1073, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 70 LEU HN 70 LEU HB3 3.67 (#peak 169 #SUP 0.71 #QF 0.47)
&rst
ixpk= 169, nxpk= 0, iat=1069,1074, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 70 LEU HN 70 LEU QD1 4.29 (#peak 1224 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1224, nxpk= 0, iat=1069, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1078,1079,1080,
&end
#
# 70 LEU HN 71 TYR HN 4.85 (#peak 680 #SUP 0.82 #QF 0.82)
&rst
ixpk= 680, nxpk= 0, iat=1069,1088, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 70 LEU HN 71 TYR QD 5.45 (#peak 2060 #SUP 0.93 #QF 0.60)
&rst
ixpk= 2060, nxpk= 0, iat=1069, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=1096,1105,
&end
#
# 70 LEU HN 82 ARG+ QD 5.22 (#peak 2152)
&rst
ixpk= 2152, nxpk= 0, iat=1069, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=1276,1277,
&end
#
# 70 LEU HN 82 ARG+ QG 5.34 (#peak 2633)
&rst
ixpk= 2633, nxpk= 0, iat=1069, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1273,1274,
&end
#
# 70 LEU QD1 71 TYR HA 3.70 (#peak 1225 #SUP 0.99 #QF 0.98)
&rst
ixpk= 1225, nxpk= 0, iat= -1,1090, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1078,1079,1080,
&end
#
# 70 LEU QD1 71 TYR HN 3.52 (#peak 1223 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1223, nxpk= 0, iat= -1,1088, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1=1078,1079,1080,
&end
#
# 70 LEU QD1 83 ARG+ HG3 3.20 (#peak 1230 #SUP 0.90 #QF 0.78)
&rst
ixpk= 1230, nxpk= 0, iat= -1,1298, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1=1078,1079,1080,
&end
#
# 70 LEU QD1 83 ARG+ QB 4.29 (#peak 1229)
&rst
ixpk= 1229, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1=1078,1079,1080,
igr2=1294,1295,
&end
#
# 70 LEU QD1 83 ARG+ QD 3.26 (#peak 2637)
&rst
ixpk= 2637, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1=1078,1079,1080,
igr2=1300,1301,
&end
#
# 70 LEU QD2 71 TYR HN 3.28 (#peak 1291 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1291, nxpk= 0, iat= -1,1088, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1=1082,1083,1084,
&end
#
# 71 TYR HA 71 TYR QD 4.41 (#peak 2059 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2059, nxpk= 0, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1096,1105,
&end
#
# 71 TYR HA 72 VAL QQG 4.02 (#peak 1462)
&rst
ixpk= 1462, nxpk= 0, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1115,1116,1117,1119,1120,1121,
&end
#
# 71 TYR HA 82 ARG+ HA 4.72 (#peak 2137 #SUP 0.67 #QF 0.67)
&rst
ixpk= 2137, nxpk= 0, iat=1090,1268, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 71 TYR HA 83 ARG+ HN 4.55 (#peak 799 #SUP 0.67 #QF 0.67)
&rst
ixpk= 799, nxpk= 0, iat=1090,1290, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 71 TYR HB2 72 VAL HN 4.61 (#peak 681 #SUP 0.92 #QF 0.92)
&rst
ixpk= 681, nxpk= 0, iat=1092,1109, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 71 TYR HB3 72 VAL HN 4.61 (#peak 682 #SUP 0.93 #QF 0.93)
&rst
ixpk= 682, nxpk= 0, iat=1093,1109, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 71 TYR HN 71 TYR QD 4.30 (#peak 36 #SUP 0.95 #QF 0.95)
&rst
ixpk= 36, nxpk= 0, iat=1088, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1096,1105,
&end
#
# 71 TYR QB 72 VAL HN 4.02 (#peak 681)
&rst
ixpk= 681, nxpk= 0, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1=1092,1093,
&end
#
# 71 TYR QD 111 ATP H2 5.00
&rst
ixpk= 681, nxpk= 0, iat= -1,1781, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1096,1105,
&end
#
# 71 TYR QD 111 ATP H8 5.00
&rst
ixpk= 681, nxpk= 0, iat= -1,1772, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1096,1105,
&end
#
# 71 TYR QD 111 ATP H8 5.50 (#peak 2060 #SUP 0.93 #QF 0.60)
&rst
ixpk= 2060, nxpk= 0, iat= -1,1772, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1096,1105,
&end
#
# 71 TYR QD 72 VAL HN 4.34 (#peak 266 #SUP 0.94 #QF 0.54)
&rst
ixpk= 266, nxpk= 0, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1=1096,1105,
&end
#
# 71 TYR QD 72 VAL QQG 4.85 (#peak 2055)
&rst
ixpk= 2055, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
igr1=1096,1105,
igr2=1115,1116,1117,1119,1120,1121,
&end
#
# 71 TYR QD 81 TYR HA 4.80 (#peak 53 #SUP 0.99 #QF 0.41)
&rst
ixpk= 53, nxpk= 0, iat= -1,1247, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1096,1105,
&end
#
# 71 TYR QD 81 TYR HN 5.17 (#peak 2061 #SUP 0.73 #QF 0.73)
&rst
ixpk= 2061, nxpk= 0, iat= -1,1245, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1096,1105,
&end
#
# 71 TYR QD 82 ARG+ HA 4.95 (#peak 2138 #SUP 0.92 #QF 0.83)
&rst
ixpk= 2138, nxpk= 0, iat= -1,1268, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1096,1105,
&end
#
# 71 TYR QD 82 ARG+ HG2 5.48 (#peak 2144 #SUP 0.92 #QF 0.25)
&rst
ixpk= 2144, nxpk= 0, iat= -1,1273, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1=1096,1105,
&end
#
# 71 TYR QD 82 ARG+ HG3 5.48 (#peak 2145 #SUP 0.94 #QF 0.31)
&rst
ixpk= 2145, nxpk= 0, iat= -1,1274, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1=1096,1105,
&end
#
# 71 TYR QD 82 ARG+ QG 4.68 (#peak 2144)
&rst
ixpk= 2144, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1=1096,1105,
igr2=1273,1274,
&end
#
# 71 TYR QD 83 ARG+ HN 5.40 (#peak 800 #SUP 0.98 #QF 0.79)
&rst
ixpk= 800, nxpk= 0, iat= -1,1290, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=1096,1105,
&end
#
# 71 TYR QE 111 ATP H8 4.37 (#peak 1724 #SUP 0.51 #QF 0.51)
&rst
ixpk= 1724, nxpk= 0, iat= -1,1772, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=1098,1103,
&end
#
# 71 TYR QE 111 ATP H8 5.00
&rst
ixpk= 1724, nxpk= 0, iat= -1,1772, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1098,1103,
&end
#
# 71 TYR QE 82 ARG+ HB2 5.50 (#peak 1727 #SUP 0.93 #QF 0.86)
&rst
ixpk= 1727, nxpk= 0, iat= -1,1270, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1098,1103,
&end
#
# 71 TYR QE 82 ARG+ HB3 5.50 (#peak 2142 #SUP 0.76 #QF 0.47)
&rst
ixpk= 2142, nxpk= 0, iat= -1,1271, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1098,1103,
&end
#
# 71 TYR QE 82 ARG+ QB 4.85 (#peak 2142)
&rst
ixpk= 2142, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1098,1103,
igr2=1270,1271,
&end
#
# 71 TYR QE 82 ARG+ QD 4.83 (#peak 73)
&rst
ixpk= 73, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1=1098,1103,
igr2=1276,1277,
&end
#
# 71 TYR QE 82 ARG+ QG 5.34 (#peak 2145)
&rst
ixpk= 2145, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1098,1103,
igr2=1273,1274,
&end
#
# 72 VAL HA 72 VAL QG1 3.34 (#peak 1463 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1463, nxpk= 0, iat=1111, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1115,1116,1117,
&end
#
# 72 VAL HA 72 VAL QG2 3.34 (#peak 1496 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1496, nxpk= 0, iat=1111, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1119,1120,1121,
&end
#
# 72 VAL HA 73 ALA QB 4.25 (#peak 1530 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1530, nxpk= 0, iat=1111, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1129,1130,1131,
&end
#
# 72 VAL HA 81 TYR QD 5.50 (#peak 2018 #SUP 0.29 #QF 0.29)
&rst
ixpk= 2018, nxpk= 0, iat=1111, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1253,1262,
&end
#
# 72 VAL HB 73 ALA HN 4.71 (#peak 569 #SUP 0.91 #QF 0.87)
&rst
ixpk= 569, nxpk= 0, iat=1113,1125, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 72 VAL HB 80 GLN HA 5.50 (#peak 2109 #SUP 0.98 #QF 0.20)
&rst
ixpk= 2109, nxpk= 0, iat=1113,1230, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 VAL HB 81 TYR HN 5.07 (#peak 569 #SUP 0.91 #QF 0.87)
&rst
ixpk= 569, nxpk= 0, iat=1113,1245, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 72 VAL HB 81 TYR QD 4.93 (#peak 2122 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2122, nxpk= 0, iat=1113, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2=1253,1262,
&end
#
# 72 VAL HB 81 TYR QE 4.94 (#peak 2130 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2130, nxpk= 0, iat=1113, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=1255,1260,
&end
#
# 72 VAL HN 72 VAL HB 3.99 (#peak 568 #SUP 0.91 #QF 0.91)
&rst
ixpk= 568, nxpk= 0, iat=1109,1113, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 72 VAL HN 72 VAL QG1 4.02 (#peak 1456 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1456, nxpk= 0, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1115,1116,1117,
&end
#
# 72 VAL HN 72 VAL QG2 4.02 (#peak 1491 #SUP 1.00)
&rst
ixpk= 1491, nxpk= 0, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1119,1120,1121,
&end
#
# 72 VAL HN 72 VAL QQG 3.10 (#peak 1456)
&rst
ixpk= 1456, nxpk= 0, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=1115,1116,1117,1119,1120,1121,
&end
#
# 72 VAL HN 73 ALA HN 4.97 (#peak 26 #SUP 1.00 #QF 0.82)
&rst
ixpk= 26, nxpk= 0, iat=1109,1125, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 72 VAL HN 73 ALA QB 5.50 (#peak 2625 #SUP 0.99 #QF 0.92)
&rst
ixpk= 2625, nxpk= 0, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1129,1130,1131,
&end
#
# 72 VAL HN 81 TYR HN 4.05 (#peak 269 #SUP 0.57 #QF 0.57)
&rst
ixpk= 269, nxpk= 0, iat=1109,1245, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 72 VAL HN 81 TYR QD 4.65 (#peak 266 #SUP 0.94 #QF 0.54)
&rst
ixpk= 266, nxpk= 0, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1253,1262,
&end
#
# 72 VAL HN 82 ARG+ HA 4.78 (#peak 683 #SUP 0.90 #QF 0.90)
&rst
ixpk= 683, nxpk= 0, iat=1109,1268, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 72 VAL HN 83 ARG+ HN 4.69 (#peak 684 #SUP 0.91 #QF 0.91)
&rst
ixpk= 684, nxpk= 0, iat=1109,1290, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 72 VAL QG1 81 TYR QD 4.40 (#peak 1459 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1459, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1115,1116,1117,
igr2=1253,1262,
&end
#
# 72 VAL QG1 81 TYR QE 3.58 (#peak 1460 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1460, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1115,1116,1117,
igr2=1255,1260,
&end
#
# 72 VAL QG1 83 ARG+ HG2 4.34 (#peak 1469 #SUP 0.98 #QF 0.47)
&rst
ixpk= 1469, nxpk= 0, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1=1115,1116,1117,
&end
#
# 72 VAL QG2 81 TYR QD 4.40 (#peak 1498 #SUP 1.00)
&rst
ixpk= 1498, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1119,1120,1121,
igr2=1253,1262,
&end
#
# 72 VAL QG2 81 TYR QE 3.58 (#peak 1499 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1499, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1119,1120,1121,
igr2=1255,1260,
&end
#
# 72 VAL QG2 83 ARG+ HG2 4.34 (#peak 2068 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2068, nxpk= 0, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1=1119,1120,1121,
&end
#
# 72 VAL QQG 73 ALA HA 4.53 (#peak 1495)
&rst
ixpk= 1495, nxpk= 0, iat= -1,1127, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1115,1116,1117,1119,1120,1121,
&end
#
# 72 VAL QQG 73 ALA HN 3.39 (#peak 1492)
&rst
ixpk= 1492, nxpk= 0, iat= -1,1125, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1=1115,1116,1117,1119,1120,1121,
&end
#
# 72 VAL QQG 73 ALA QB 4.44 (#peak 1534)
&rst
ixpk= 1534, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1115,1116,1117,1119,1120,1121,
igr2=1129,1130,1131,
&end
#
# 72 VAL QQG 74 ASP- HA 3.97 (#peak 1494)
&rst
ixpk= 1494, nxpk= 0, iat= -1,1137, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1=1115,1116,1117,1119,1120,1121,
&end
#
# 72 VAL QQG 74 ASP- HB2 4.17 (#peak 1503)
&rst
ixpk= 1503, nxpk= 0, iat= -1,1139, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1=1115,1116,1117,1119,1120,1121,
&end
#
# 72 VAL QQG 74 ASP- HB3 5.44 (#peak 2436)
&rst
ixpk= 2436, nxpk= 0, iat= -1,1140, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1=1115,1116,1117,1119,1120,1121,
&end
#
# 72 VAL QQG 74 ASP- HN 4.53 (#peak 1490)
&rst
ixpk= 1490, nxpk= 0, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1115,1116,1117,1119,1120,1121,
&end
#
# 72 VAL QQG 81 TYR HN 4.37 (#peak 1457)
&rst
ixpk= 1457, nxpk= 0, iat= -1,1245, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1=1115,1116,1117,1119,1120,1121,
&end
#
# 72 VAL QQG 81 TYR QD 3.50 (#peak 1459)
&rst
ixpk= 1459, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1115,1116,1117,1119,1120,1121,
igr2=1253,1262,
&end
#
# 72 VAL QQG 81 TYR QE 3.14 (#peak 1460)
&rst
ixpk= 1460, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1=1115,1116,1117,1119,1120,1121,
igr2=1255,1260,
&end
#
# 72 VAL QQG 83 ARG+ HA 3.47 (#peak 1464)
&rst
ixpk= 1464, nxpk= 0, iat= -1,1292, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=1115,1116,1117,1119,1120,1121,
&end
#
# 72 VAL QQG 83 ARG+ HG2 3.17 (#peak 1469)
&rst
ixpk= 1469, nxpk= 0, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1115,1116,1117,1119,1120,1121,
&end
#
# 72 VAL QQG 83 ARG+ HN 3.87 (#peak 1458)
&rst
ixpk= 1458, nxpk= 0, iat= -1,1290, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1115,1116,1117,1119,1120,1121,
&end
#
# 72 VAL QQG 83 ARG+ QB 3.88 (#peak 1470)
&rst
ixpk= 1470, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1=1115,1116,1117,1119,1120,1121,
igr2=1294,1295,
&end
#
# 72 VAL QQG 83 ARG+ QD 3.56 (#peak 231)
&rst
ixpk= 231, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1115,1116,1117,1119,1120,1121,
igr2=1300,1301,
&end
#
# 73 ALA HA 80 GLN HA 4.64 (#peak 2070 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2070, nxpk= 0, iat=1127,1230, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 73 ALA HA 92 ILE QD1 4.12 (#peak 107 #SUP 0.85 #QF 0.85)
&rst
ixpk= 107, nxpk= 0, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1474,1475,1476,
&end
#
# 73 ALA HA 92 ILE QG2 5.20 (#peak 2438 #SUP 0.49 #QF 0.49)
&rst
ixpk= 2438, nxpk= 0, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2=1467,1468,1469,
&end
#
# 73 ALA HN 73 ALA QB 3.26 (#peak 1526 #SUP 1.00)
&rst
ixpk= 1526, nxpk= 0, iat=1125, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1129,1130,1131,
&end
#
# 73 ALA HN 74 ASP- HN 5.38 (#peak 690 #SUP 0.96 #QF 0.93)
&rst
ixpk= 690, nxpk= 0, iat=1125,1135, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 73 ALA QB 74 ASP- HN 3.58 (#peak 1525 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1525, nxpk= 0, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=1129,1130,1131,
&end
#
# 73 ALA QB 78 MET QE 5.50 (#peak 1531 #SUP 0.94 #QF 0.86)
&rst
ixpk= 1531, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1129,1130,1131,
igr2=1206,1207,1208,
&end
#
# 73 ALA QB 80 GLN HA 4.26 (#peak 1527 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1527, nxpk= 0, iat= -1,1230, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1129,1130,1131,
&end
#
# 73 ALA QB 80 GLN QB 5.34 (#peak 1531)
&rst
ixpk= 1531, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1=1129,1130,1131,
igr2=1232,1233,
&end
#
# 73 ALA QB 92 ILE QG2 4.55 (#peak 1533 #SUP 0.55 #QF 0.55)
&rst
ixpk= 1533, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1=1129,1130,1131,
igr2=1467,1468,1469,
&end
#
# 74 ASP- HB2 75 LEU HN 5.07 (#peak 2080 #SUP 0.58 #QF 0.58)
&rst
ixpk= 2080, nxpk= 0, iat=1139,1147, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 74 ASP- HB2 79 VAL HN 4.47 (#peak 492 #SUP 0.57 #QF 0.57)
&rst
ixpk= 492, nxpk= 0, iat=1139,1212, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 74 ASP- HB2 79 VAL QG2 3.46 (#peak 1520 #SUP 0.88 #QF 0.88)
&rst
ixpk= 1520, nxpk= 0, iat=1139, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=1222,1223,1224,
&end
#
# 74 ASP- HB2 81 TYR QE 4.31 (#peak 79 #SUP 0.98 #QF 0.98)
&rst
ixpk= 79, nxpk= 0, iat=1139, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1255,1260,
&end
#
# 74 ASP- HB3 79 VAL HN 4.35 (#peak 491 #SUP 0.90 #QF 0.90)
&rst
ixpk= 491, nxpk= 0, iat=1140,1212, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 74 ASP- HB3 79 VAL QG1 4.64 (#peak 1422 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1422, nxpk= 0, iat=1140, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1218,1219,1220,
&end
#
# 74 ASP- HB3 79 VAL QG2 3.37 (#peak 1516 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1516, nxpk= 0, iat=1140, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=1222,1223,1224,
&end
#
# 74 ASP- HB3 81 TYR QE 4.58 (#peak 2132 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2132, nxpk= 0, iat=1140, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1255,1260,
&end
#
# 74 ASP- HN 79 VAL HN 4.33 (#peak 482 #SUP 0.98 #QF 0.98)
&rst
ixpk= 482, nxpk= 0, iat=1135,1212, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 74 ASP- HN 79 VAL QG2 3.85 (#peak 1505 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1505, nxpk= 0, iat=1135, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1222,1223,1224,
&end
#
# 74 ASP- HN 81 TYR HN 5.50 (#peak 690 #SUP 0.96 #QF 0.93)
&rst
ixpk= 690, nxpk= 0, iat=1135,1245, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 ASP- HN 81 TYR QE 4.87 (#peak 2133 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2133, nxpk= 0, iat=1135, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2=1255,1260,
&end
#
# 74 ASP- HN 92 ILE QD1 4.18 (#peak 105 #SUP 0.54 #QF 0.54)
&rst
ixpk= 105, nxpk= 0, iat=1135, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1474,1475,1476,
&end
#
# 75 LEU HA 75 LEU HG 4.11 (#peak 910 #SUP 0.96 #QF 0.96)
&rst
ixpk= 910, nxpk= 0, iat=1149,1154, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 75 LEU HA 75 LEU QD1 4.05 (#peak 1155 #SUP 0.87 #QF 0.87)
&rst
ixpk= 1155, nxpk= 0, iat=1149, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1156,1157,1158,
&end
#
# 75 LEU HA 75 LEU QD2 4.05 (#peak 2628 #SUP 0.93 #QF 0.93)
&rst
ixpk= 2628, nxpk= 0, iat=1149, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1160,1161,1162,
&end
#
# 75 LEU HA 75 LEU QQD 2.99 (#peak 2628)
&rst
ixpk= 2628, nxpk= 0, iat=1149, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2=1156,1157,1158,1160,1161,1162,
&end
#
# 75 LEU HB2 75 LEU QD1 3.50 (#peak 1162 #SUP 0.99 #QF 0.69)
&rst
ixpk= 1162, nxpk= 0, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1156,1157,1158,
&end
#
# 75 LEU HB2 75 LEU QD2 3.50 (#peak 2630 #SUP 0.64 #QF 0.52)
&rst
ixpk= 2630, nxpk= 0, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1160,1161,1162,
&end
#
# 75 LEU HB2 75 LEU QQD 3.00 (#peak 1162)
&rst
ixpk= 1162, nxpk= 0, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1156,1157,1158,1160,1161,1162,
&end
#
# 75 LEU HB3 78 MET QE 3.68 (#peak 1643 #SUP 0.82 #QF 0.82)
&rst
ixpk= 1643, nxpk= 0, iat=1152, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1206,1207,1208,
&end
#
# 75 LEU HN 75 LEU HG 4.12 (#peak 909 #SUP 0.99 #QF 0.99)
&rst
ixpk= 909, nxpk= 0, iat=1147,1154, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 75 LEU HN 75 LEU QD1 3.94 (#peak 1150 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1150, nxpk= 0, iat=1147, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1156,1157,1158,
&end
#
# 75 LEU HN 75 LEU QD2 3.94 (#peak 2626 #SUP 0.93 #QF 0.93)
&rst
ixpk= 2626, nxpk= 0, iat=1147, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1160,1161,1162,
&end
#
# 75 LEU HN 75 LEU QQD 3.25 (#peak 2626)
&rst
ixpk= 2626, nxpk= 0, iat=1147, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1156,1157,1158,1160,1161,1162,
&end
#
# 75 LEU HN 78 MET QE 4.99 (#peak 1633 #SUP 0.97 #QF 0.93)
&rst
ixpk= 1633, nxpk= 0, iat=1147, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1206,1207,1208,
&end
#
# 75 LEU QD1 78 MET QE 4.52 (#peak 1161 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1161, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1=1156,1157,1158,
igr2=1206,1207,1208,
&end
#
# 75 LEU QD2 78 MET QE 4.52 (#peak 2629 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2629, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1=1160,1161,1162,
igr2=1206,1207,1208,
&end
#
# 75 LEU QQD 76 GLU- HN 4.68 (#peak 228)
&rst
ixpk= 228, nxpk= 0, iat= -1,1166, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1=1156,1157,1158,1160,1161,1162,
&end
#
# 75 LEU QQD 78 MET QE 3.36 (#peak 2629)
&rst
ixpk= 2629, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=1156,1157,1158,1160,1161,1162,
igr2=1206,1207,1208,
&end
#
# 76 GLU- HA 76 GLU- HG2 3.88 (#peak 2561 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2561, nxpk= 0, iat=1168,1173, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 76 GLU- HA 76 GLU- HG3 3.88 (#peak 480 #SUP 0.99 #QF 0.99)
&rst
ixpk= 480, nxpk= 0, iat=1168,1174, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 76 GLU- HA 76 GLU- QG 3.18 (#peak 480)
&rst
ixpk= 480, nxpk= 0, iat=1168, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2=1173,1174,
&end
#
# 76 GLU- HB2 77 ASN HD21 4.79 (#peak 2293 #SUP 0.77 #QF 0.77)
&rst
ixpk= 2293, nxpk= 0, iat=1170,1190, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 76 GLU- HB2 77 ASN HD22 4.66 (#peak 2291 #SUP 0.79 #QF 0.79)
&rst
ixpk= 2291, nxpk= 0, iat=1170,1191, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 76 GLU- HB2 78 MET HN 5.13 (#peak 2558 #SUP 0.57 #QF 0.57)
&rst
ixpk= 2558, nxpk= 0, iat=1170,1195, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 76 GLU- HB3 77 ASN HD21 4.79 (#peak 2556 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2556, nxpk= 0, iat=1171,1190, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 76 GLU- HB3 77 ASN HD22 4.66 (#peak 812 #SUP 0.99 #QF 0.99)
&rst
ixpk= 812, nxpk= 0, iat=1171,1191, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 76 GLU- HB3 78 MET HN 5.13 (#peak 2557 #SUP 0.91 #QF 0.91)
&rst
ixpk= 2557, nxpk= 0, iat=1171,1195, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 76 GLU- HG2 77 ASN HD21 4.92 (#peak 2559 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2559, nxpk= 0, iat=1173,1190, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 76 GLU- HG3 77 ASN HD21 4.92 (#peak 2261 #SUP 0.90 #QF 0.90)
&rst
ixpk= 2261, nxpk= 0, iat=1174,1190, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 76 GLU- HN 76 GLU- HB2 3.75 (#peak 252 #SUP 0.33 #QF 0.33)
&rst
ixpk= 252, nxpk= 0, iat=1166,1170, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 76 GLU- HN 76 GLU- HB3 3.75 (#peak 756 #SUP 0.94 #QF 0.94)
&rst
ixpk= 756, nxpk= 0, iat=1166,1171, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 76 GLU- HN 76 GLU- HG2 3.74 (#peak 491 #SUP 0.94 #QF 0.94)
&rst
ixpk= 491, nxpk= 0, iat=1166,1173, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 76 GLU- HN 76 GLU- HG3 3.74 (#peak 227 #SUP 0.97 #QF 0.72)
&rst
ixpk= 227, nxpk= 0, iat=1166,1174, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 76 GLU- HN 76 GLU- QG 3.23 (#peak 227)
&rst
ixpk= 227, nxpk= 0, iat=1166, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2=1173,1174,
&end
#
# 76 GLU- HN 77 ASN HD21 4.69 (#peak 834 #SUP 0.98 #QF 0.98)
&rst
ixpk= 834, nxpk= 0, iat=1166,1190, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 76 GLU- HN 77 ASN HD22 5.50 (#peak 835 #SUP 0.98 #QF 0.98)
&rst
ixpk= 835, nxpk= 0, iat=1166,1191, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 GLU- HN 77 ASN HN 3.63 (#peak 467 #SUP 0.96 #QF 0.96)
&rst
ixpk= 467, nxpk= 0, iat=1166,1181, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 76 GLU- HN 78 MET HN 4.00 (#peak 790 #SUP 0.90 #QF 0.90)
&rst
ixpk= 790, nxpk= 0, iat=1166,1195, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 76 GLU- HN 78 MET QE 5.35 (#peak 1633 #SUP 0.97 #QF 0.93)
&rst
ixpk= 1633, nxpk= 0, iat=1166, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2=1206,1207,1208,
&end
#
# 76 GLU- QB 77 ASN HA 4.42 (#peak 1474)
&rst
ixpk= 1474, nxpk= 0, iat= -1,1183, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1=1170,1171,
&end
#
# 76 GLU- QB 77 ASN HN 3.56 (#peak 471)
&rst
ixpk= 471, nxpk= 0, iat= -1,1181, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1170,1171,
&end
#
# 76 GLU- QB 78 MET HN 4.29 (#peak 2558)
&rst
ixpk= 2558, nxpk= 0, iat= -1,1195, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1=1170,1171,
&end
#
# 76 GLU- QG 77 ASN HD21 4.24 (#peak 2559)
&rst
ixpk= 2559, nxpk= 0, iat= -1,1190, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1173,1174,
&end
#
# 76 GLU- QG 77 ASN HD22 4.60 (#peak 2560)
&rst
ixpk= 2560, nxpk= 0, iat= -1,1191, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1173,1174,
&end
#
# 76 GLU- QG 77 ASN HN 4.22 (#peak 479)
&rst
ixpk= 479, nxpk= 0, iat= -1,1181, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1=1173,1174,
&end
#
# 77 ASN HA 77 ASN HD21 4.11 (#peak 1475 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1475, nxpk= 0, iat=1183,1190, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 77 ASN HA 77 ASN HD22 4.50 (#peak 1478 #SUP 1.00)
&rst
ixpk= 1478, nxpk= 0, iat=1183,1191, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 77 ASN HA 79 VAL QG1 5.01 (#peak 1480 #SUP 0.99 #QF 0.40)
&rst
ixpk= 1480, nxpk= 0, iat=1183, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2=1218,1219,1220,
&end
#
# 77 ASN HA 79 VAL QG2 5.24 (#peak 1480 #SUP 0.99 #QF 0.40)
&rst
ixpk= 1480, nxpk= 0, iat=1183, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2=1222,1223,1224,
&end
#
# 77 ASN HB2 78 MET HN 4.91 (#peak 2087 #SUP 0.95 #QF 0.95)
&rst
ixpk= 2087, nxpk= 0, iat=1185,1195, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 77 ASN HB2 79 VAL QG1 4.24 (#peak 1425 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1425, nxpk= 0, iat=1185, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=1218,1219,1220,
&end
#
# 77 ASN HB2 79 VAL QG2 3.46 (#peak 1519 #SUP 0.84 #QF 0.84)
&rst
ixpk= 1519, nxpk= 0, iat=1185, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=1222,1223,1224,
&end
#
# 77 ASN HB3 78 MET HN 4.91 (#peak 2088 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2088, nxpk= 0, iat=1186,1195, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 77 ASN HB3 79 VAL QG1 4.24 (#peak 1426 #SUP 1.00)
&rst
ixpk= 1426, nxpk= 0, iat=1186, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=1218,1219,1220,
&end
#
# 77 ASN HB3 79 VAL QG2 3.46 (#peak 2578 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2578, nxpk= 0, iat=1186, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=1222,1223,1224,
&end
#
# 77 ASN HD21 78 MET HN 4.56 (#peak 657 #SUP 0.93 #QF 0.93)
&rst
ixpk= 657, nxpk= 0, iat=1190,1195, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 77 ASN HD21 79 VAL QG2 4.79 (#peak 695 #SUP 0.73 #QF 0.73)
&rst
ixpk= 695, nxpk= 0, iat=1190, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=1222,1223,1224,
&end
#
# 77 ASN HD22 79 VAL QG2 4.97 (#peak 1509 #SUP 1.00)
&rst
ixpk= 1509, nxpk= 0, iat=1191, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=1222,1223,1224,
&end
#
# 77 ASN HN 77 ASN HB2 3.85 (#peak 465 #SUP 0.99 #QF 0.99)
&rst
ixpk= 465, nxpk= 0, iat=1181,1185, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 77 ASN HN 77 ASN HB3 3.85 (#peak 470 #SUP 0.64 #QF 0.64)
&rst
ixpk= 470, nxpk= 0, iat=1181,1186, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 77 ASN HN 77 ASN HD21 3.98 (#peak 466 #SUP 1.00)
&rst
ixpk= 466, nxpk= 0, iat=1181,1190, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 77 ASN HN 77 ASN HD22 4.14 (#peak 469 #SUP 1.00)
&rst
ixpk= 469, nxpk= 0, iat=1181,1191, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 77 ASN HN 77 ASN QB 3.38 (#peak 470)
&rst
ixpk= 470, nxpk= 0, iat=1181, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=1185,1186,
&end
#
# 77 ASN HN 78 MET HA 4.81 (#peak 789 #SUP 0.54 #QF 0.54)
&rst
ixpk= 789, nxpk= 0, iat=1181,1197, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 77 ASN HN 78 MET HN 3.56 (#peak 378 #SUP 0.86 #QF 0.58)
&rst
ixpk= 378, nxpk= 0, iat=1181,1195, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 77 ASN HN 79 VAL QG2 4.25 (#peak 694 #SUP 0.97 #QF 0.97)
&rst
ixpk= 694, nxpk= 0, iat=1181, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1222,1223,1224,
&end
#
# 77 ASN QB 79 VAL QG1 3.49 (#peak 1425)
&rst
ixpk= 1425, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1=1185,1186,
igr2=1218,1219,1220,
&end
#
# 78 MET HA 78 MET QE 2.63 (#peak 1640 #SUP 0.64 #QF 0.64)
&rst
ixpk= 1640, nxpk= 0, iat=1197, -1, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,
igr2=1206,1207,1208,
&end
#
# 78 MET HA 79 VAL QG1 4.92 (#peak 2588 #SUP 1.00 #QF 0.99)
&rst
ixpk= 2588, nxpk= 0, iat=1197, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2=1218,1219,1220,
&end
#
# 78 MET HA 79 VAL QG2 4.60 (#peak 1515 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1515, nxpk= 0, iat=1197, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1222,1223,1224,
&end
#
# 78 MET HA 92 ILE QD1 3.63 (#peak 115 #SUP 0.73 #QF 0.73)
&rst
ixpk= 115, nxpk= 0, iat=1197, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2=1474,1475,1476,
&end
#
# 78 MET HA 92 ILE QG2 5.50 (#peak 2184 #SUP 1.00 #QF 0.76)
&rst
ixpk= 2184, nxpk= 0, iat=1197, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1467,1468,1469,
&end
#
# 78 MET HB2 78 MET QE 4.43 (#peak 2567 #SUP 0.90 #QF 0.90)
&rst
ixpk= 2567, nxpk= 0, iat=1199, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1206,1207,1208,
&end
#
# 78 MET HB2 79 VAL QG1 4.65 (#peak 1426 #SUP 1.00)
&rst
ixpk= 1426, nxpk= 0, iat=1199, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1218,1219,1220,
&end
#
# 78 MET HB3 78 MET QE 3.13 (#peak 1642 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1642, nxpk= 0, iat=1200, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2=1206,1207,1208,
&end
#
# 78 MET HB3 79 VAL HN 4.43 (#peak 494 #SUP 0.85 #QF 0.85)
&rst
ixpk= 494, nxpk= 0, iat=1200,1212, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 78 MET HB3 92 ILE HN 4.71 (#peak 717 #SUP 0.47 #QF 0.47)
&rst
ixpk= 717, nxpk= 0, iat=1200,1461, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 78 MET HB3 92 ILE QD1 3.83 (#peak 122 #SUP 0.84 #QF 0.84)
&rst
ixpk= 122, nxpk= 0, iat=1200, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1474,1475,1476,
&end
#
# 78 MET HG2 78 MET QE 2.87 (#peak 1641 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1641, nxpk= 0, iat=1202, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr2=1206,1207,1208,
&end
#
# 78 MET HG2 79 VAL HN 4.89 (#peak 2093 #SUP 0.88 #QF 0.88)
&rst
ixpk= 2093, nxpk= 0, iat=1202,1212, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 78 MET HG3 78 MET QE 3.94 (#peak 577 #SUP 0.99 #QF 0.99)
&rst
ixpk= 577, nxpk= 0, iat=1203, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1206,1207,1208,
&end
#
# 78 MET HG3 92 ILE HG13 5.50 (#peak 2481 #SUP 0.68 #QF 0.68)
&rst
ixpk= 2481, nxpk= 0, iat=1203,1472, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 78 MET HN 78 MET HB3 4.12 (#peak 374 #SUP 0.73 #QF 0.73)
&rst
ixpk= 374, nxpk= 0, iat=1195,1200, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 78 MET HN 78 MET HG2 3.95 (#peak 373 #SUP 0.93 #QF 0.59)
&rst
ixpk= 373, nxpk= 0, iat=1195,1202, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 78 MET HN 78 MET HG3 4.51 (#peak 2096 #SUP 0.95 #QF 0.95)
&rst
ixpk= 2096, nxpk= 0, iat=1195,1203, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 78 MET HN 78 MET QE 3.71 (#peak 375 #SUP 0.86 #QF 0.86)
&rst
ixpk= 375, nxpk= 0, iat=1195, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1206,1207,1208,
&end
#
# 78 MET HN 79 VAL HN 3.90 (#peak 483 #SUP 0.96 #QF 0.96)
&rst
ixpk= 483, nxpk= 0, iat=1195,1212, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 78 MET HN 79 VAL QG1 4.80 (#peak 1415 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1415, nxpk= 0, iat=1195, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1218,1219,1220,
&end
#
# 78 MET HN 79 VAL QG2 4.00 (#peak 376 #SUP 0.89 #QF 0.89)
&rst
ixpk= 376, nxpk= 0, iat=1195, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1222,1223,1224,
&end
#
# 78 MET HN 92 ILE QD1 4.90 (#peak 125 #SUP 0.99 #QF 0.99)
&rst
ixpk= 125, nxpk= 0, iat=1195, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1474,1475,1476,
&end
#
# 78 MET QE 79 VAL HN 4.28 (#peak 484 #SUP 0.99 #QF 0.99)
&rst
ixpk= 484, nxpk= 0, iat= -1,1212, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1206,1207,1208,
&end
#
# 78 MET QE 92 ILE HG12 5.03 (#peak 2309 #SUP 0.99 #QF 0.92)
&rst
ixpk= 2309, nxpk= 0, iat= -1,1471, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=1206,1207,1208,
&end
#
# 78 MET QE 92 ILE HG13 3.40 (#peak 1644 #SUP 0.74 #QF 0.74)
&rst
ixpk= 1644, nxpk= 0, iat= -1,1472, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1=1206,1207,1208,
&end
#
# 78 MET QE 92 ILE QD1 2.76 (#peak 1646 #SUP 0.70 #QF 0.28)
&rst
ixpk= 1646, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1=1206,1207,1208,
igr2=1474,1475,1476,
&end
#
# 79 VAL HA 79 VAL QG1 3.31 (#peak 1419 #SUP 1.00)
&rst
ixpk= 1419, nxpk= 0, iat=1214, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=1218,1219,1220,
&end
#
# 79 VAL HA 79 VAL QG2 3.66 (#peak 1512 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1512, nxpk= 0, iat=1214, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1222,1223,1224,
&end
#
# 79 VAL HA 89 ARG+ HB2 4.91 (#peak 2098 #SUP 0.81 #QF 0.81)
&rst
ixpk= 2098, nxpk= 0, iat=1214,1395, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 79 VAL HA 91 LYS+ HA 4.60 (#peak 2097 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2097, nxpk= 0, iat=1214,1441, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 79 VAL HA 92 ILE HN 4.37 (#peak 472 #SUP 0.96 #QF 0.96)
&rst
ixpk= 472, nxpk= 0, iat=1214,1461, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 79 VAL HA 92 ILE QG2 4.38 (#peak 2183 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2183, nxpk= 0, iat=1214, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1467,1468,1469,
&end
#
# 79 VAL HB 80 GLN HN 3.92 (#peak 454 #SUP 0.99 #QF 0.99)
&rst
ixpk= 454, nxpk= 0, iat=1216,1228, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 79 VAL HB 80 GLN QG 5.08 (#peak 2102)
&rst
ixpk= 2102, nxpk= 0, iat=1216, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=1235,1236,
&end
#
# 79 VAL HB 81 TYR QD 4.68 (#peak 2125 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2125, nxpk= 0, iat=1216, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1253,1262,
&end
#
# 79 VAL HB 89 ARG+ HB3 4.04 (#peak 2443 #SUP 0.85 #QF 0.85)
&rst
ixpk= 2443, nxpk= 0, iat=1216,1396, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 79 VAL HB 90 ARG+ HN 4.64 (#peak 2106 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2106, nxpk= 0, iat=1216,1415, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 79 VAL HB 91 LYS+ HA 4.55 (#peak 2101 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2101, nxpk= 0, iat=1216,1441, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 79 VAL HB 92 ILE HN 5.50 (#peak 2104 #SUP 0.93 #QF 0.93)
&rst
ixpk= 2104, nxpk= 0, iat=1216,1461, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 VAL HN 79 VAL QG1 3.62 (#peak 1414 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1414, nxpk= 0, iat=1212, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2=1218,1219,1220,
&end
#
# 79 VAL HN 79 VAL QG2 3.22 (#peak 1507 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1507, nxpk= 0, iat=1212, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=1222,1223,1224,
&end
#
# 79 VAL HN 92 ILE QD1 3.93 (#peak 111 #SUP 0.95 #QF 0.95)
&rst
ixpk= 111, nxpk= 0, iat=1212, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1474,1475,1476,
&end
#
# 79 VAL QG1 80 GLN HN 3.99 (#peak 1411 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1411, nxpk= 0, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1218,1219,1220,
&end
#
# 79 VAL QG1 81 TYR QD 4.71 (#peak 1417 #SUP 1.00)
&rst
ixpk= 1417, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=1218,1219,1220,
igr2=1253,1262,
&end
#
# 79 VAL QG1 89 ARG+ HA 5.50 (#peak 2163 #SUP 1.00 #QF 0.98)
&rst
ixpk= 2163, nxpk= 0, iat= -1,1393, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1218,1219,1220,
&end
#
# 79 VAL QG1 89 ARG+ HB2 3.67 (#peak 1429 #SUP 0.98 #QF 0.88)
&rst
ixpk= 1429, nxpk= 0, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1218,1219,1220,
&end
#
# 79 VAL QG1 89 ARG+ HD2 3.81 (#peak 219 #SUP 1.00 #QF 0.98)
&rst
ixpk= 219, nxpk= 0, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1218,1219,1220,
&end
#
# 79 VAL QG1 89 ARG+ HD3 4.33 (#peak 1424 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1424, nxpk= 0, iat= -1,1402, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=1218,1219,1220,
&end
#
# 79 VAL QG1 89 ARG+ QG 3.58 (#peak 1431)
&rst
ixpk= 1431, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1218,1219,1220,
igr2=1398,1399,
&end
#
# 79 VAL QG1 90 ARG+ HN 4.42 (#peak 1413 #SUP 1.00)
&rst
ixpk= 1413, nxpk= 0, iat= -1,1415, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1218,1219,1220,
&end
#
# 79 VAL QG1 91 LYS+ HA 3.27 (#peak 1421 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1421, nxpk= 0, iat= -1,1441, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1218,1219,1220,
&end
#
# 79 VAL QG1 91 LYS+ HB2 4.43 (#peak 2459 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2459, nxpk= 0, iat= -1,1443, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1218,1219,1220,
&end
#
# 79 VAL QG1 91 LYS+ HB3 4.43 (#peak 2166 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2166, nxpk= 0, iat= -1,1444, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1218,1219,1220,
&end
#
# 79 VAL QG1 91 LYS+ HD2 3.71 (#peak 854 #SUP 0.98 #QF 0.98)
&rst
ixpk= 854, nxpk= 0, iat= -1,1449, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1=1218,1219,1220,
&end
#
# 79 VAL QG1 91 LYS+ HD3 3.71 (#peak 861 #SUP 0.98 #QF 0.98)
&rst
ixpk= 861, nxpk= 0, iat= -1,1450, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1=1218,1219,1220,
&end
#
# 79 VAL QG1 91 LYS+ HN 4.04 (#peak 1412 #SUP 0.76 #QF 0.76)
&rst
ixpk= 1412, nxpk= 0, iat= -1,1439, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1218,1219,1220,
&end
#
# 79 VAL QG1 91 LYS+ QG 3.14 (#peak 1430)
&rst
ixpk= 1430, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1=1218,1219,1220,
igr2=1446,1447,
&end
#
# 79 VAL QG1 92 ILE HN 3.63 (#peak 1416 #SUP 1.00)
&rst
ixpk= 1416, nxpk= 0, iat= -1,1461, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1=1218,1219,1220,
&end
#
# 79 VAL QG2 80 GLN HA 5.13 (#peak 2108 #SUP 0.98 #QF 0.78)
&rst
ixpk= 2108, nxpk= 0, iat= -1,1230, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1=1222,1223,1224,
&end
#
# 79 VAL QG2 80 GLN HN 4.02 (#peak 1504 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1504, nxpk= 0, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1222,1223,1224,
&end
#
# 79 VAL QG2 81 TYR QD 3.24 (#peak 1510 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1510, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1=1222,1223,1224,
igr2=1253,1262,
&end
#
# 79 VAL QG2 81 TYR QE 3.21 (#peak 1511 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1511, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1222,1223,1224,
igr2=1255,1260,
&end
#
# 79 VAL QG2 89 ARG+ HA 4.80 (#peak 1513 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1513, nxpk= 0, iat= -1,1393, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1222,1223,1224,
&end
#
# 79 VAL QG2 89 ARG+ HB2 3.53 (#peak 1522 #SUP 1.00)
&rst
ixpk= 1522, nxpk= 0, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1222,1223,1224,
&end
#
# 79 VAL QG2 89 ARG+ HB3 4.25 (#peak 677 #SUP 0.97 #QF 0.97)
&rst
ixpk= 677, nxpk= 0, iat= -1,1396, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1222,1223,1224,
&end
#
# 79 VAL QG2 89 ARG+ HD2 3.81 (#peak 1517 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1517, nxpk= 0, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1222,1223,1224,
&end
#
# 79 VAL QG2 89 ARG+ HD3 3.60 (#peak 1518 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1518, nxpk= 0, iat= -1,1402, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1=1222,1223,1224,
&end
#
# 79 VAL QG2 89 ARG+ QG 3.94 (#peak 1523)
&rst
ixpk= 1523, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1222,1223,1224,
igr2=1398,1399,
&end
#
# 79 VAL QG2 90 ARG+ HN 4.88 (#peak 1506 #SUP 1.00)
&rst
ixpk= 1506, nxpk= 0, iat= -1,1415, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=1222,1223,1224,
&end
#
# 80 GLN HA 92 ILE QD1 4.85 (#peak 127 #SUP 0.72 #QF 0.72)
&rst
ixpk= 127, nxpk= 0, iat=1230, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=1474,1475,1476,
&end
#
# 80 GLN HN 80 GLN QG 4.70 (#peak 771)
&rst
ixpk= 771, nxpk= 0, iat=1228, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1235,1236,
&end
#
# 80 GLN HN 81 TYR HN 4.73 (#peak 638 #SUP 0.48 #QF 0.48)
&rst
ixpk= 638, nxpk= 0, iat=1228,1245, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 80 GLN HN 81 TYR QD 5.18 (#peak 781 #SUP 0.47 #QF 0.47)
&rst
ixpk= 781, nxpk= 0, iat=1228, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=1253,1262,
&end
#
# 80 GLN HN 90 ARG+ HA 5.40 (#peak 700 #SUP 0.99 #QF 0.67)
&rst
ixpk= 700, nxpk= 0, iat=1228,1417, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 80 GLN HN 90 ARG+ HN 4.84 (#peak 699 #SUP 0.96 #QF 0.96)
&rst
ixpk= 699, nxpk= 0, iat=1228,1415, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 80 GLN HN 91 LYS+ HA 5.50 (#peak 700 #SUP 0.99 #QF 0.67)
&rst
ixpk= 700, nxpk= 0, iat=1228,1441, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 80 GLN HN 92 ILE HN 5.12 (#peak 698 #SUP 0.77 #QF 0.77)
&rst
ixpk= 698, nxpk= 0, iat=1228,1461, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 80 GLN HN 92 ILE QG2 3.89 (#peak 1540 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1540, nxpk= 0, iat=1228, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1467,1468,1469,
&end
#
# 80 GLN QB 92 ILE QD1 4.13 (#peak 117)
&rst
ixpk= 117, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1232,1233,
igr2=1474,1475,1476,
&end
#
# 80 GLN QB 92 ILE QG2 4.83 (#peak 2631)
&rst
ixpk= 2631, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=1232,1233,
igr2=1467,1468,1469,
&end
#
# 80 GLN QG 92 ILE QD1 4.69 (#peak 108)
&rst
ixpk= 108, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1=1235,1236,
igr2=1474,1475,1476,
&end
#
# 81 TYR HA 81 TYR QD 4.74 (#peak 1 #SUP 1.00 #QF 0.95)
&rst
ixpk= 1, nxpk= 0, iat=1247, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1253,1262,
&end
#
# 81 TYR HA 89 ARG+ HB3 5.48 (#peak 2114 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2114, nxpk= 0, iat=1247,1396, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 81 TYR HN 81 TYR QD 4.73 (#peak 2126 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2126, nxpk= 0, iat=1245, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1253,1262,
&end
#
# 81 TYR QB 89 ARG+ HA 4.65 (#peak 2161)
&rst
ixpk= 2161, nxpk= 0, iat= -1,1393, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1249,1250,
&end
#
# 81 TYR QB 89 ARG+ HB2 4.78 (#peak 2270)
&rst
ixpk= 2270, nxpk= 0, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1249,1250,
&end
#
# 81 TYR QB 89 ARG+ HB3 5.26 (#peak 2276)
&rst
ixpk= 2276, nxpk= 0, iat= -1,1396, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1=1249,1250,
&end
#
# 81 TYR QB 89 ARG+ HN 5.18 (#peak 836)
&rst
ixpk= 836, nxpk= 0, iat= -1,1391, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1249,1250,
&end
#
# 81 TYR QD 82 ARG+ HN 4.92 (#peak 702 #SUP 0.92 #QF 0.29)
&rst
ixpk= 702, nxpk= 0, iat= -1,1266, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1253,1262,
&end
#
# 81 TYR QD 83 ARG+ HA 4.64 (#peak 2302 #SUP 0.77 #QF 0.77)
&rst
ixpk= 2302, nxpk= 0, iat= -1,1292, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1=1253,1262,
&end
#
# 81 TYR QD 83 ARG+ HN 5.50 (#peak 800 #SUP 0.98 #QF 0.79)
&rst
ixpk= 800, nxpk= 0, iat= -1,1290, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1253,1262,
&end
#
# 81 TYR QD 89 ARG+ HA 4.75 (#peak 2164 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2164, nxpk= 0, iat= -1,1393, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1=1253,1262,
&end
#
# 81 TYR QD 89 ARG+ HB3 4.38 (#peak 2124 #SUP 0.98 #QF 0.97)
&rst
ixpk= 2124, nxpk= 0, iat= -1,1396, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1=1253,1262,
&end
#
# 81 TYR QD 89 ARG+ HD3 4.26 (#peak 221 #SUP 0.99 #QF 0.99)
&rst
ixpk= 221, nxpk= 0, iat= -1,1402, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1=1253,1262,
&end
#
# 81 TYR QD 89 ARG+ HG2 4.82 (#peak 2441 #SUP 0.87 #QF 0.87)
&rst
ixpk= 2441, nxpk= 0, iat= -1,1398, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1=1253,1262,
&end
#
# 81 TYR QD 89 ARG+ HG3 4.82 (#peak 2123 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2123, nxpk= 0, iat= -1,1399, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1=1253,1262,
&end
#
# 81 TYR QD 89 ARG+ QG 4.11 (#peak 2123)
&rst
ixpk= 2123, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=1253,1262,
igr2=1398,1399,
&end
#
# 81 TYR QD 90 ARG+ HN 4.94 (#peak 709 #SUP 0.90 #QF 0.90)
&rst
ixpk= 709, nxpk= 0, iat= -1,1415, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=1253,1262,
&end
#
# 81 TYR QE 83 ARG+ HA 4.91 (#peak 2632 #SUP 0.93 #QF 0.93)
&rst
ixpk= 2632, nxpk= 0, iat= -1,1292, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1255,1260,
&end
#
# 81 TYR QE 83 ARG+ HG2 5.50 (#peak 2128 #SUP 0.67 #QF 0.45)
&rst
ixpk= 2128, nxpk= 0, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1255,1260,
&end
#
# 81 TYR QE 89 ARG+ HB3 4.88 (#peak 2129 #SUP 1.00)
&rst
ixpk= 2129, nxpk= 0, iat= -1,1396, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1=1255,1260,
&end
#
# 81 TYR QE 89 ARG+ HD2 4.49 (#peak 2576 #SUP 0.33 #QF 0.33)
&rst
ixpk= 2576, nxpk= 0, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1255,1260,
&end
#
# 81 TYR QE 89 ARG+ HD3 4.77 (#peak 234 #SUP 0.92 #QF 0.92)
&rst
ixpk= 234, nxpk= 0, iat= -1,1402, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1=1255,1260,
&end
#
# 81 TYR QE 89 ARG+ QG 5.34 (#peak 2128)
&rst
ixpk= 2128, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1255,1260,
igr2=1398,1399,
&end
#
# 82 ARG+ HA 82 ARG+ HD2 5.50 (#peak 2153 #SUP 0.98 #QF 0.85)
&rst
ixpk= 2153, nxpk= 0, iat=1268,1276, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 82 ARG+ HA 82 ARG+ HD3 5.50 (#peak 2153 #SUP 0.98 #QF 0.85)
&rst
ixpk= 2153, nxpk= 0, iat=1268,1277, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 82 ARG+ HA 82 ARG+ QD 4.75 (#peak 2153)
&rst
ixpk= 2153, nxpk= 0, iat=1268, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=1276,1277,
&end
#
# 82 ARG+ HN 82 ARG+ HD2 5.50 (#peak 2474 #SUP 0.82 #QF 0.52)
&rst
ixpk= 2474, nxpk= 0, iat=1266,1276, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 82 ARG+ HN 82 ARG+ HD3 5.50 (#peak 2474 #SUP 0.82 #QF 0.52)
&rst
ixpk= 2474, nxpk= 0, iat=1266,1277, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 82 ARG+ HN 82 ARG+ HG2 4.97 (#peak 2149 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2149, nxpk= 0, iat=1266,1273, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 82 ARG+ HN 82 ARG+ HG3 4.97 (#peak 2148 #SUP 0.89 #QF 0.89)
&rst
ixpk= 2148, nxpk= 0, iat=1266,1274, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 82 ARG+ HN 82 ARG+ QG 4.36 (#peak 2149)
&rst
ixpk= 2149, nxpk= 0, iat=1266, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1273,1274,
&end
#
# 82 ARG+ QB 82 ARG+ QH1 5.18 (#peak 2142)
&rst
ixpk= 2142, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1=1270,1271,
igr2=1282,1283,
&end
#
# 82 ARG+ QB 85 GLU- QG 4.04 (#peak 516)
&rst
ixpk= 516, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1270,1271,
igr2=1335,1336,
&end
#
# 82 ARG+ QD 85 GLU- QG 5.17 (#peak 2154)
&rst
ixpk= 2154, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=1276,1277,
igr2=1335,1336,
&end
#
# 82 ARG+ QG 82 ARG+ QH1 4.55 (#peak 2144)
&rst
ixpk= 2144, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1=1273,1274,
igr2=1282,1283,
&end
#
# 83 ARG+ HA 83 ARG+ HD2 5.23 (#peak 238 #SUP 0.94 #QF 0.65)
&rst
ixpk= 238, nxpk= 0, iat=1292,1300, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 83 ARG+ HA 83 ARG+ HD3 5.23 (#peak 238 #SUP 0.94 #QF 0.65)
&rst
ixpk= 238, nxpk= 0, iat=1292,1301, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 83 ARG+ HA 83 ARG+ HG2 3.51 (#peak 987 #SUP 0.98 #QF 0.82)
&rst
ixpk= 987, nxpk= 0, iat=1292,1297, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 83 ARG+ HA 83 ARG+ QD 4.51 (#peak 238)
&rst
ixpk= 238, nxpk= 0, iat=1292, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1300,1301,
&end
#
# 83 ARG+ HG2 84 ASN HN 5.50 (#peak 2636 #SUP 0.85 #QF 0.61)
&rst
ixpk= 2636, nxpk= 0, iat=1297,1314, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 83 ARG+ HG3 84 ASN HN 5.50 (#peak 2636 #SUP 0.85 #QF 0.61)
&rst
ixpk= 2636, nxpk= 0, iat=1298,1314, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 83 ARG+ HN 83 ARG+ HD2 5.50 (#peak 236 #SUP 0.99 #QF 0.83)
&rst
ixpk= 236, nxpk= 0, iat=1290,1300, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 83 ARG+ HN 83 ARG+ HD3 5.50 (#peak 236 #SUP 0.99 #QF 0.83)
&rst
ixpk= 236, nxpk= 0, iat=1290,1301, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 83 ARG+ HN 83 ARG+ HG2 4.13 (#peak 2635 #SUP 0.90 #QF 0.70)
&rst
ixpk= 2635, nxpk= 0, iat=1290,1297, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 83 ARG+ HN 83 ARG+ HG3 3.77 (#peak 2635 #SUP 0.90 #QF 0.70)
&rst
ixpk= 2635, nxpk= 0, iat=1290,1298, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 83 ARG+ HN 83 ARG+ QD 4.81 (#peak 236)
&rst
ixpk= 236, nxpk= 0, iat=1290, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1300,1301,
&end
#
# 83 ARG+ QB 83 ARG+ QD 3.21 (#peak 239)
&rst
ixpk= 239, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1294,1295,
igr2=1300,1301,
&end
#
# 84 ASN HA 84 ASN QD2 3.83 (#peak 2316)
&rst
ixpk= 2316, nxpk= 0, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1323,1324,
&end
#
# 84 ASN HN 84 ASN QD2 4.94 (#peak 806)
&rst
ixpk= 806, nxpk= 0, iat=1314, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=1323,1324,
&end
#
# 84 ASN QB 84 ASN QD2 3.13 (#peak 505)
&rst
ixpk= 505, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1=1318,1319,
igr2=1323,1324,
&end
#
# 85 GLU- QG 86 HIS HN 4.27 (#peak 511)
&rst
ixpk= 511, nxpk= 0, iat= -1,1343, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1335,1336,
&end
#
# 85 GLU- QG 87 GLY HN 4.22 (#peak 537)
&rst
ixpk= 537, nxpk= 0, iat= -1,1360, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1=1335,1336,
&end
#
# 86 HIS HA 86 HIS HD2 4.52 (#peak 59 #SUP 0.98 #QF 0.98)
&rst
ixpk= 59, nxpk= 0, iat=1345,1356, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 86 HIS HB2 87 GLY HN 4.20 (#peak 531 #SUP 0.99 #QF 0.99)
&rst
ixpk= 531, nxpk= 0, iat=1347,1360, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 86 HIS HB3 87 GLY HN 4.20 (#peak 532 #SUP 0.88 #QF 0.88)
&rst
ixpk= 532, nxpk= 0, iat=1348,1360, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 86 HIS HD2 87 GLY HN 5.16 (#peak 705 #SUP 0.88 #QF 0.88)
&rst
ixpk= 705, nxpk= 0, iat=1356,1360, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 86 HIS HN 86 HIS HD2 4.43 (#peak 2159 #SUP 0.75 #QF 0.75)
&rst
ixpk= 2159, nxpk= 0, iat=1343,1356, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 86 HIS HN 87 GLY HN 4.05 (#peak 538 #SUP 0.91 #QF 0.91)
&rst
ixpk= 538, nxpk= 0, iat=1343,1360, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 86 HIS QB 86 HIS HD2 3.46 (#peak 61)
&rst
ixpk= 61, nxpk= 0, iat= -1,1356, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1=1347,1348,
&end
#
# 86 HIS QB 87 GLY HN 3.64 (#peak 532)
&rst
ixpk= 532, nxpk= 0, iat= -1,1360, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1=1347,1348,
&end
#
# 87 GLY HN 88 ARG+ HN 3.97 (#peak 534 #SUP 0.62 #QF 0.62)
&rst
ixpk= 534, nxpk= 0, iat=1360,1367, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 88 ARG+ HA 88 ARG+ HD2 5.22 (#peak 2448 #SUP 0.99 #QF 0.83)
&rst
ixpk= 2448, nxpk= 0, iat=1369,1377, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 88 ARG+ HA 88 ARG+ HD3 5.22 (#peak 2448 #SUP 0.99 #QF 0.83)
&rst
ixpk= 2448, nxpk= 0, iat=1369,1378, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 88 ARG+ HA 88 ARG+ QD 4.46 (#peak 2448)
&rst
ixpk= 2448, nxpk= 0, iat=1369, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1377,1378,
&end
#
# 88 ARG+ HA 88 ARG+ QG 3.67 (#peak 1004)
&rst
ixpk= 1004, nxpk= 0, iat=1369, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1374,1375,
&end
#
# 88 ARG+ HA 89 ARG+ HN 3.50 (#peak 1195 #SUP 0.61 #QF 0.61)
&rst
ixpk= 1195, nxpk= 0, iat=1369,1391, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 88 ARG+ HD2 89 ARG+ HN 5.50 (#peak 726 #SUP 0.99 #QF 0.23)
&rst
ixpk= 726, nxpk= 0, iat=1377,1391, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 88 ARG+ HD3 89 ARG+ HN 5.50 (#peak 726 #SUP 0.99 #QF 0.23)
&rst
ixpk= 726, nxpk= 0, iat=1378,1391, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 88 ARG+ HN 88 ARG+ HD2 5.50 (#peak 2640 #SUP 0.88 #QF 0.57)
&rst
ixpk= 2640, nxpk= 0, iat=1367,1377, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 88 ARG+ HN 88 ARG+ HD3 5.50 (#peak 2640 #SUP 0.88 #QF 0.57)
&rst
ixpk= 2640, nxpk= 0, iat=1367,1378, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 88 ARG+ HN 88 ARG+ HG2 4.75 (#peak 1000 #SUP 0.53 #QF 0.25)
&rst
ixpk= 1000, nxpk= 0, iat=1367,1374, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 88 ARG+ HN 88 ARG+ HG3 4.75 (#peak 1000 #SUP 0.53 #QF 0.25)
&rst
ixpk= 1000, nxpk= 0, iat=1367,1375, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 88 ARG+ HN 88 ARG+ QB 3.70 (#peak 724)
&rst
ixpk= 724, nxpk= 0, iat=1367, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2=1371,1372,
&end
#
# 88 ARG+ HN 88 ARG+ QG 4.03 (#peak 1000)
&rst
ixpk= 1000, nxpk= 0, iat=1367, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=1374,1375,
&end
#
# 89 ARG+ HA 89 ARG+ HD2 5.08 (#peak 217 #SUP 0.97 #QF 0.97)
&rst
ixpk= 217, nxpk= 0, iat=1393,1401, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 89 ARG+ HA 89 ARG+ HD3 4.89 (#peak 2574 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2574, nxpk= 0, iat=1393,1402, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 89 ARG+ HB2 89 ARG+ HD3 3.68 (#peak 222 #SUP 0.99 #QF 0.99)
&rst
ixpk= 222, nxpk= 0, iat=1395,1402, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 89 ARG+ HB2 90 ARG+ HN 4.43 (#peak 707 #SUP 0.80 #QF 0.80)
&rst
ixpk= 707, nxpk= 0, iat=1395,1415, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 89 ARG+ HB3 89 ARG+ HD3 3.32 (#peak 233 #SUP 1.00 #QF 0.51)
&rst
ixpk= 233, nxpk= 0, iat=1396,1402, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 89 ARG+ HB3 90 ARG+ HN 4.60 (#peak 130 #SUP 1.00 #QF 0.99)
&rst
ixpk= 130, nxpk= 0, iat=1396,1415, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 89 ARG+ HG2 90 ARG+ HN 5.14 (#peak 130 #SUP 1.00 #QF 0.99)
&rst
ixpk= 130, nxpk= 0, iat=1398,1415, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 89 ARG+ HG3 90 ARG+ HN 5.14 (#peak 905 #SUP 1.00 #QF 0.99)
&rst
ixpk= 905, nxpk= 0, iat=1399,1415, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 89 ARG+ HN 89 ARG+ HD2 5.50 (#peak 726 #SUP 0.99 #QF 0.23)
&rst
ixpk= 726, nxpk= 0, iat=1391,1401, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 89 ARG+ HN 89 ARG+ HD3 4.40 (#peak 220 #SUP 0.95 #QF 0.95)
&rst
ixpk= 220, nxpk= 0, iat=1391,1402, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 89 ARG+ HN 89 ARG+ HG2 4.54 (#peak 901 #SUP 0.66 #QF 0.66)
&rst
ixpk= 901, nxpk= 0, iat=1391,1398, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 89 ARG+ HN 89 ARG+ HG3 4.54 (#peak 905 #SUP 1.00 #QF 0.99)
&rst
ixpk= 905, nxpk= 0, iat=1391,1399, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 89 ARG+ HN 89 ARG+ QG 3.84 (#peak 901)
&rst
ixpk= 901, nxpk= 0, iat=1391, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=1398,1399,
&end
#
# 89 ARG+ QG 90 ARG+ HN 4.50 (#peak 905)
&rst
ixpk= 905, nxpk= 0, iat= -1,1415, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1398,1399,
&end
#
# 91 LYS+ HA 91 LYS+ HD2 3.88 (#peak 852 #SUP 0.98 #QF 0.98)
&rst
ixpk= 852, nxpk= 0, iat=1441,1449, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 91 LYS+ HA 91 LYS+ HD3 3.88 (#peak 860 #SUP 0.98 #QF 0.98)
&rst
ixpk= 860, nxpk= 0, iat=1441,1450, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 91 LYS+ HA 91 LYS+ HE2 5.50 (#peak 326 #SUP 0.98 #QF 0.69)
&rst
ixpk= 326, nxpk= 0, iat=1441,1452, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 91 LYS+ HA 91 LYS+ HE3 5.50 (#peak 326 #SUP 0.98 #QF 0.69)
&rst
ixpk= 326, nxpk= 0, iat=1441,1453, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 91 LYS+ HA 91 LYS+ QG 3.64 (#peak 1132)
&rst
ixpk= 1132, nxpk= 0, iat=1441, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2=1446,1447,
&end
#
# 91 LYS+ HA 92 ILE QG2 4.43 (#peak 2319 #SUP 0.80 #QF 0.80)
&rst
ixpk= 2319, nxpk= 0, iat=1441, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1467,1468,1469,
&end
#
# 91 LYS+ HB2 91 LYS+ HE2 5.50 (#peak 323 #SUP 0.98 #QF 0.91)
&rst
ixpk= 323, nxpk= 0, iat=1443,1452, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 91 LYS+ HB2 91 LYS+ HE3 5.50 (#peak 323 #SUP 0.98 #QF 0.91)
&rst
ixpk= 323, nxpk= 0, iat=1443,1453, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 91 LYS+ HB3 91 LYS+ HE2 5.50 (#peak 2267 #SUP 0.98 #QF 0.87)
&rst
ixpk= 2267, nxpk= 0, iat=1444,1452, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 91 LYS+ HB3 91 LYS+ HE3 5.50 (#peak 2267 #SUP 0.98 #QF 0.87)
&rst
ixpk= 2267, nxpk= 0, iat=1444,1453, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 91 LYS+ HD2 92 ILE HN 4.61 (#peak 855 #SUP 0.93 #QF 0.93)
&rst
ixpk= 855, nxpk= 0, iat=1449,1461, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 91 LYS+ HD3 92 ILE HN 4.61 (#peak 859 #SUP 0.98 #QF 0.98)
&rst
ixpk= 859, nxpk= 0, iat=1450,1461, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 91 LYS+ HN 91 LYS+ HG2 4.04 (#peak 1133 #SUP 0.87 #QF 0.87)
&rst
ixpk= 1133, nxpk= 0, iat=1439,1446, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 91 LYS+ HN 91 LYS+ HG3 4.04 (#peak 1130 #SUP 0.86 #QF 0.86)
&rst
ixpk= 1130, nxpk= 0, iat=1439,1447, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 91 LYS+ HN 91 LYS+ QD 4.91 (#peak 850)
&rst
ixpk= 850, nxpk= 0, iat=1439, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=1449,1450,
&end
#
# 91 LYS+ HN 92 ILE HN 5.03 (#peak 477 #SUP 0.99 #QF 0.89)
&rst
ixpk= 477, nxpk= 0, iat=1439,1461, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 91 LYS+ QB 91 LYS+ QE 4.15 (#peak 323)
&rst
ixpk= 323, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=1443,1444,
igr2=1452,1453,
&end
#
# 91 LYS+ QB 92 ILE HN 3.67 (#peak 479)
&rst
ixpk= 479, nxpk= 0, iat= -1,1461, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1=1443,1444,
&end
#
# 91 LYS+ QD 92 ILE HN 3.98 (#peak 855)
&rst
ixpk= 855, nxpk= 0, iat= -1,1461, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=1449,1450,
&end
#
# 91 LYS+ QE 92 ILE HN 4.99 (#peak 325)
&rst
ixpk= 325, nxpk= 0, iat= -1,1461, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=1452,1453,
&end
#
# 91 LYS+ QG 91 LYS+ QE 3.30 (#peak 1135)
&rst
ixpk= 1135, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1=1446,1447,
igr2=1452,1453,
&end
#
# 91 LYS+ QG 92 ILE HN 4.34 (#peak 2171)
&rst
ixpk= 2171, nxpk= 0, iat= -1,1461, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1=1446,1447,
&end
#
# 92 ILE HA 92 ILE QD1 4.90 (#peak 2173 #SUP 0.77 #QF 0.77)
&rst
ixpk= 2173, nxpk= 0, iat=1463, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1474,1475,1476,
&end
#
# 92 ILE HA 92 ILE QG2 3.58 (#peak 1546 #SUP 1.00)
&rst
ixpk= 1546, nxpk= 0, iat=1463, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1467,1468,1469,
&end
#
# 92 ILE HB 92 ILE QD1 3.56 (#peak 116 #SUP 0.99 #QF 0.90)
&rst
ixpk= 116, nxpk= 0, iat=1465, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=1474,1475,1476,
&end
#
# 92 ILE HB 93 LYS+ HN 4.02 (#peak 403 #SUP 0.82 #QF 0.82)
&rst
ixpk= 403, nxpk= 0, iat=1465,1480, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 92 ILE HG12 93 LYS+ HN 5.12 (#peak 2311 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2311, nxpk= 0, iat=1471,1480, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 92 ILE HN 92 ILE HG12 5.20 (#peak 2310 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2310, nxpk= 0, iat=1461,1471, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 92 ILE HN 92 ILE HG13 4.63 (#peak 819 #SUP 0.96 #QF 0.96)
&rst
ixpk= 819, nxpk= 0, iat=1461,1472, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 92 ILE HN 92 ILE QD1 4.07 (#peak 106 #SUP 0.89 #QF 0.89)
&rst
ixpk= 106, nxpk= 0, iat=1461, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1474,1475,1476,
&end
#
# 92 ILE HN 92 ILE QG2 3.91 (#peak 1543 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1543, nxpk= 0, iat=1461, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1467,1468,1469,
&end
#
# 92 ILE HN 93 LYS+ HN 5.35 (#peak 477 #SUP 0.99 #QF 0.89)
&rst
ixpk= 477, nxpk= 0, iat=1461,1480, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 92 ILE QD1 93 LYS+ HN 4.56 (#peak 774 #SUP 1.00)
&rst
ixpk= 774, nxpk= 0, iat= -1,1480, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1=1474,1475,1476,
&end
#
# 92 ILE QG2 92 ILE HG12 3.84 (#peak 2318 #SUP 0.85 #QF 0.85)
&rst
ixpk= 2318, nxpk= 0, iat= -1,1471, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1=1467,1468,1469,
&end
#
# 92 ILE QG2 92 ILE QD1 2.96 (#peak 119 #SUP 0.95 #QF 0.95)
&rst
ixpk= 119, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1467,1468,1469,
igr2=1474,1475,1476,
&end
#
# 92 ILE QG2 93 LYS+ HA 5.50 (#peak 2184 #SUP 1.00 #QF 0.76)
&rst
ixpk= 2184, nxpk= 0, iat= -1,1482, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1467,1468,1469,
&end
#
# 92 ILE QG2 93 LYS+ HN 3.81 (#peak 1541 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1541, nxpk= 0, iat= -1,1480, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1467,1468,1469,
&end
#
# 93 LYS+ HA 94 ARG+ HN 3.50 (#peak 77 #SUP 0.98 #QF 0.98)
&rst
ixpk= 77, nxpk= 0, iat=1482,1502, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 93 LYS+ HB2 94 ARG+ HN 4.15 (#peak 79 #SUP 0.81 #QF 0.81)
&rst
ixpk= 79, nxpk= 0, iat=1484,1502, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 93 LYS+ HB3 94 ARG+ HN 4.15 (#peak 731 #SUP 0.68 #QF 0.68)
&rst
ixpk= 731, nxpk= 0, iat=1485,1502, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 93 LYS+ HE3 95 ASP- HB2 4.80 (#peak 2199 #SUP 0.45 #QF 0.45)
&rst
ixpk= 2199, nxpk= 0, iat=1494,1530, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 93 LYS+ HG3 93 LYS+ HE2 3.99 (#peak 2314 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2314, nxpk= 0, iat=1488,1493, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 93 LYS+ HN 93 LYS+ HG2 4.97 (#peak 2191 #SUP 0.92 #QF 0.92)
&rst
ixpk= 2191, nxpk= 0, iat=1480,1487, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 93 LYS+ HN 93 LYS+ HG3 4.61 (#peak 772 #SUP 0.81 #QF 0.81)
&rst
ixpk= 772, nxpk= 0, iat=1480,1488, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 93 LYS+ QB 94 ARG+ HN 3.60 (#peak 79)
&rst
ixpk= 79, nxpk= 0, iat= -1,1502, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1484,1485,
&end
#
# 94 ARG+ HA 94 ARG+ QD 4.55 (#peak 2210)
&rst
ixpk= 2210, nxpk= 0, iat=1504, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2=1512,1513,
&end
#
# 94 ARG+ HN 95 ASP- HN 4.52 (#peak 719 #SUP 0.75 #QF 0.75)
&rst
ixpk= 719, nxpk= 0, iat=1502,1526, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 95 ASP- HB2 96 ILE HN 4.19 (#peak 168 #SUP 0.95 #QF 0.95)
&rst
ixpk= 168, nxpk= 0, iat=1530,1538, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 95 ASP- HB3 96 ILE HB 5.13 (#peak 2237 #SUP 0.90 #QF 0.90)
&rst
ixpk= 2237, nxpk= 0, iat=1531,1542, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 95 ASP- HB3 96 ILE HG12 5.14 (#peak 2298 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2298, nxpk= 0, iat=1531,1548, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 95 ASP- HB3 96 ILE HN 3.99 (#peak 164 #SUP 0.97 #QF 0.97)
&rst
ixpk= 164, nxpk= 0, iat=1531,1538, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 95 ASP- HB3 97 ILE HN 5.50 (#peak 724 #SUP 0.99 #QF 0.99)
&rst
ixpk= 724, nxpk= 0, iat=1531,1557, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 95 ASP- HB3 97 ILE QD1 4.59 (#peak 167 #SUP 0.96 #QF 0.96)
&rst
ixpk= 167, nxpk= 0, iat=1531, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=1570,1571,1572,
&end
#
# 95 ASP- HN 95 ASP- HB3 4.14 (#peak 163 #SUP 0.98 #QF 0.98)
&rst
ixpk= 163, nxpk= 0, iat=1526,1531, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 96 ILE HA 96 ILE HG12 3.81 (#peak 955 #SUP 0.94 #QF 0.94)
&rst
ixpk= 955, nxpk= 0, iat=1540,1548, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 96 ILE HA 96 ILE HG13 3.80 (#peak 965 #SUP 0.74 #QF 0.74)
&rst
ixpk= 965, nxpk= 0, iat=1540,1549, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 96 ILE HA 96 ILE QD1 3.21 (#peak 191 #SUP 0.99 #QF 0.99)
&rst
ixpk= 191, nxpk= 0, iat=1540, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2=1551,1552,1553,
&end
#
# 96 ILE HA 96 ILE QG2 2.89 (#peak 1657 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1657, nxpk= 0, iat=1540, -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr2=1544,1545,1546,
&end
#
# 96 ILE HA 97 ILE HN 3.41 (#peak 58 #SUP 0.99 #QF 0.92)
&rst
ixpk= 58, nxpk= 0, iat=1540,1557, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 96 ILE HA 97 ILE QD1 3.12 (#peak 146 #SUP 0.52 #QF 0.52)
&rst
ixpk= 146, nxpk= 0, iat=1540, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2=1570,1571,1572,
&end
#
# 96 ILE HB 96 ILE QD1 3.25 (#peak 431 #SUP 0.92 #QF 0.92)
&rst
ixpk= 431, nxpk= 0, iat=1542, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2=1551,1552,1553,
&end
#
# 96 ILE HB 97 ILE HN 4.26 (#peak 426 #SUP 0.93 #QF 0.93)
&rst
ixpk= 426, nxpk= 0, iat=1542,1557, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 96 ILE HG12 97 ILE HN 5.02 (#peak 725 #SUP 0.99 #QF 0.99)
&rst
ixpk= 725, nxpk= 0, iat=1548,1557, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 96 ILE HN 96 ILE HB 3.27 (#peak 429 #SUP 0.94 #QF 0.94)
&rst
ixpk= 429, nxpk= 0, iat=1538,1542, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 96 ILE HN 96 ILE HG12 3.64 (#peak 953 #SUP 1.00)
&rst
ixpk= 953, nxpk= 0, iat=1538,1548, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 96 ILE HN 96 ILE HG13 4.35 (#peak 966 #SUP 0.99 #QF 0.99)
&rst
ixpk= 966, nxpk= 0, iat=1538,1549, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 96 ILE HN 96 ILE QD1 3.84 (#peak 232 #SUP 0.94 #QF 0.94)
&rst
ixpk= 232, nxpk= 0, iat=1538, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1551,1552,1553,
&end
#
# 96 ILE HN 96 ILE QG2 4.03 (#peak 231 #SUP 0.99 #QF 0.99)
&rst
ixpk= 231, nxpk= 0, iat=1538, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1544,1545,1546,
&end
#
# 96 ILE HN 97 ILE HG13 5.50 (#peak 2633 #SUP 0.95 #QF 0.39)
&rst
ixpk= 2633, nxpk= 0, iat=1538,1568, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 96 ILE HN 97 ILE HN 4.54 (#peak 729 #SUP 0.98 #QF 0.98)
&rst
ixpk= 729, nxpk= 0, iat=1538,1557, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 96 ILE HN 97 ILE QD1 4.83 (#peak 137 #SUP 0.86 #QF 0.86)
&rst
ixpk= 137, nxpk= 0, iat=1538, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1570,1571,1572,
&end
#
# 96 ILE QD1 97 ILE HN 3.56 (#peak 187 #SUP 0.99 #QF 0.99)
&rst
ixpk= 187, nxpk= 0, iat= -1,1557, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1=1551,1552,1553,
&end
#
# 96 ILE QG2 96 ILE HG12 3.29 (#peak 958 #SUP 0.97 #QF 0.97)
&rst
ixpk= 958, nxpk= 0, iat= -1,1548, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1=1544,1545,1546,
&end
#
# 96 ILE QG2 97 ILE HN 3.09 (#peak 1652 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1652, nxpk= 0, iat= -1,1557, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr1=1544,1545,1546,
&end
#
# 96 ILE QG2 98 ASP- HA 4.28 (#peak 1655 #SUP 0.77 #QF 0.77)
&rst
ixpk= 1655, nxpk= 0, iat= -1,1578, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1544,1545,1546,
&end
#
# 96 ILE QG2 98 ASP- HN 4.63 (#peak 73 #SUP 0.95 #QF 0.95)
&rst
ixpk= 73, nxpk= 0, iat= -1,1576, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1544,1545,1546,
&end
#
# 96 ILE QG2 98 ASP- QB 5.01 (#peak 367)
&rst
ixpk= 367, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1=1544,1545,1546,
igr2=1580,1581,
&end
#
# 97 ILE HA 97 ILE HG12 3.54 (#peak 962 #SUP 1.00)
&rst
ixpk= 962, nxpk= 0, iat=1559,1567, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 97 ILE HA 97 ILE HG13 3.51 (#peak 950 #SUP 0.99 #QF 0.99)
&rst
ixpk= 950, nxpk= 0, iat=1559,1568, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 97 ILE HA 97 ILE QD1 3.46 (#peak 875 #SUP 1.00)
&rst
ixpk= 875, nxpk= 0, iat=1559, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=1570,1571,1572,
&end
#
# 97 ILE HA 97 ILE QG2 2.84 (#peak 1672 #SUP 1.00)
&rst
ixpk= 1672, nxpk= 0, iat=1559, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr2=1563,1564,1565,
&end
#
# 97 ILE HA 98 ASP- HA 4.54 (#peak 876 #SUP 1.00)
&rst
ixpk= 876, nxpk= 0, iat=1559,1578, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 97 ILE HA 98 ASP- HN 2.90 (#peak 68 #SUP 0.99 #QF 0.99)
&rst
ixpk= 68, nxpk= 0, iat=1559,1576, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 97 ILE HA 98 ASP- QB 4.42 (#peak 365)
&rst
ixpk= 365, nxpk= 0, iat=1559, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=1580,1581,
&end
#
# 97 ILE HA 99 ILE HN 4.07 (#peak 108 #SUP 0.85 #QF 0.85)
&rst
ixpk= 108, nxpk= 0, iat=1559,1588, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 97 ILE HB 97 ILE QD1 2.83 (#peak 151 #SUP 0.99 #QF 0.99)
&rst
ixpk= 151, nxpk= 0, iat=1561, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr2=1570,1571,1572,
&end
#
# 97 ILE HB 98 ASP- HN 3.95 (#peak 418 #SUP 0.99 #QF 0.99)
&rst
ixpk= 418, nxpk= 0, iat=1561,1576, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 97 ILE HG12 98 ASP- HN 4.97 (#peak 960 #SUP 0.99 #QF 0.99)
&rst
ixpk= 960, nxpk= 0, iat=1567,1576, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 97 ILE HG13 98 ASP- HN 4.40 (#peak 948 #SUP 1.00)
&rst
ixpk= 948, nxpk= 0, iat=1568,1576, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 97 ILE HN 97 ILE HB 3.46 (#peak 419 #SUP 0.95 #QF 0.95)
&rst
ixpk= 419, nxpk= 0, iat=1557,1561, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 97 ILE HN 97 ILE HG12 4.17 (#peak 61 #SUP 0.68 #QF 0.68)
&rst
ixpk= 61, nxpk= 0, iat=1557,1567, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 97 ILE HN 97 ILE HG13 3.64 (#peak 949 #SUP 0.98 #QF 0.98)
&rst
ixpk= 949, nxpk= 0, iat=1557,1568, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 97 ILE HN 97 ILE QD1 3.39 (#peak 139 #SUP 0.98 #QF 0.98)
&rst
ixpk= 139, nxpk= 0, iat=1557, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=1570,1571,1572,
&end
#
# 97 ILE HN 97 ILE QG2 3.81 (#peak 62 #SUP 0.99 #QF 0.99)
&rst
ixpk= 62, nxpk= 0, iat=1557, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1563,1564,1565,
&end
#
# 97 ILE HN 98 ASP- HN 5.47 (#peak 57 #SUP 1.00 #QF 0.92)
&rst
ixpk= 57, nxpk= 0, iat=1557,1576, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 97 ILE QG2 100 PRO HD3 4.58 (#peak 1555 #SUP 1.00 #QF 0.85)
&rst
ixpk= 1555, nxpk= 0, iat= -1,1609, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1563,1564,1565,
&end
#
# 97 ILE QG2 97 ILE HG13 2.97 (#peak 1674 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1674, nxpk= 0, iat= -1,1568, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr1=1563,1564,1565,
&end
#
# 97 ILE QG2 98 ASP- HA 3.76 (#peak 1441 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1441, nxpk= 0, iat= -1,1578, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1=1563,1564,1565,
&end
#
# 97 ILE QG2 98 ASP- HB2 4.59 (#peak 362 #SUP 0.98 #QF 0.98)
&rst
ixpk= 362, nxpk= 0, iat= -1,1580, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1563,1564,1565,
&end
#
# 97 ILE QG2 98 ASP- HB3 4.59 (#peak 1680 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1680, nxpk= 0, iat= -1,1581, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1563,1564,1565,
&end
#
# 97 ILE QG2 98 ASP- HN 2.99 (#peak 1669 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1669, nxpk= 0, iat= -1,1576, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1563,1564,1565,
&end
#
# 97 ILE QG2 98 ASP- QB 3.99 (#peak 362)
&rst
ixpk= 362, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=1563,1564,1565,
igr2=1580,1581,
&end
#
# 97 ILE QG2 99 ILE HA 3.71 (#peak 1678 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1678, nxpk= 0, iat= -1,1590, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1=1563,1564,1565,
&end
#
# 97 ILE QG2 99 ILE HG12 3.09 (#peak 1038 #SUP 1.00 #QF 0.83)
&rst
ixpk= 1038, nxpk= 0, iat= -1,1598, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr1=1563,1564,1565,
&end
#
# 97 ILE QG2 99 ILE HN 3.09 (#peak 1670 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1670, nxpk= 0, iat= -1,1588, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr1=1563,1564,1565,
&end
#
# 98 ASP- HA 99 ILE HB 4.69 (#peak 433 #SUP 0.82 #QF 0.82)
&rst
ixpk= 433, nxpk= 0, iat=1578,1592, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 98 ASP- HA 99 ILE HG12 4.30 (#peak 1049 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1049, nxpk= 0, iat=1578,1598, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 98 ASP- HN 98 ASP- HB2 3.21 (#peak 351 #SUP 0.98 #QF 0.98)
&rst
ixpk= 351, nxpk= 0, iat=1576,1580, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 98 ASP- HN 98 ASP- HB3 3.21 (#peak 352 #SUP 0.99 #QF 0.99)
&rst
ixpk= 352, nxpk= 0, iat=1576,1581, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 98 ASP- HN 99 ILE HA 4.50 (#peak 1053 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1053, nxpk= 0, iat=1576,1590, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 98 ASP- HN 99 ILE HN 3.21 (#peak 109 #SUP 0.98 #QF 0.98)
&rst
ixpk= 109, nxpk= 0, iat=1576,1588, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 98 ASP- QB 99 ILE HN 3.12 (#peak 114)
&rst
ixpk= 114, nxpk= 0, iat= -1,1588, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1=1580,1581,
&end
#
# 99 ILE HA 100 PRO HD2 2.62 (#peak 1557 #SUP 1.00)
&rst
ixpk= 1557, nxpk= 0, iat=1590,1608, r1= 1.30, r2= 1.80, r3= 2.62, r4= 3.12, &end
#
# 99 ILE HA 100 PRO HD3 2.66 (#peak 1549 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1549, nxpk= 0, iat=1590,1609, r1= 1.30, r2= 1.80, r3= 2.66, r4= 3.16, &end
#
# 99 ILE HA 100 PRO QG 4.28 (#peak 1059)
&rst
ixpk= 1059, nxpk= 0, iat=1590, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1611,1612,
&end
#
# 99 ILE HA 99 ILE HG12 3.31 (#peak 1062 #SUP 1.00)
&rst
ixpk= 1062, nxpk= 0, iat=1590,1598, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 99 ILE HA 99 ILE HG13 3.89 (#peak 1061 #SUP 1.00)
&rst
ixpk= 1061, nxpk= 0, iat=1590,1599, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 99 ILE HA 99 ILE QD1 3.12 (#peak 174 #SUP 0.99 #QF 0.99)
&rst
ixpk= 174, nxpk= 0, iat=1590, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2=1601,1602,1603,
&end
#
# 99 ILE HA 99 ILE QG2 2.71 (#peak 1683 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1683, nxpk= 0, iat=1590, -1, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,
igr2=1594,1595,1596,
&end
#
# 99 ILE HB 100 PRO HD2 4.19 (#peak 436 #SUP 1.00)
&rst
ixpk= 436, nxpk= 0, iat=1592,1608, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 99 ILE HB 99 ILE HG13 3.00 (#peak 1026 #SUP 1.00)
&rst
ixpk= 1026, nxpk= 0, iat=1592,1599, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 99 ILE HB 99 ILE QD1 3.27 (#peak 440 #SUP 1.00)
&rst
ixpk= 440, nxpk= 0, iat=1592, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1601,1602,1603,
&end
#
# 99 ILE HG12 100 PRO HD2 5.05 (#peak 1571 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1571, nxpk= 0, iat=1598,1608, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 99 ILE HN 100 PRO HD2 4.45 (#peak 1556 #SUP 1.00)
&rst
ixpk= 1556, nxpk= 0, iat=1588,1608, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 99 ILE HN 100 PRO HD3 4.00 (#peak 112 #SUP 0.98 #QF 0.98)
&rst
ixpk= 112, nxpk= 0, iat=1588,1609, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 99 ILE HN 99 ILE HG12 3.05 (#peak 118 #SUP 0.99 #QF 0.99)
&rst
ixpk= 118, nxpk= 0, iat=1588,1598, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 99 ILE HN 99 ILE QD1 3.38 (#peak 173 #SUP 0.99 #QF 0.99)
&rst
ixpk= 173, nxpk= 0, iat=1588, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=1601,1602,1603,
&end
#
# 99 ILE QD1 100 PRO HD2 3.79 (#peak 176 #SUP 1.00)
&rst
ixpk= 176, nxpk= 0, iat= -1,1608, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1=1601,1602,1603,
&end
#
# 99 ILE QD1 100 PRO HD3 3.76 (#peak 183 #SUP 0.92 #QF 0.92)
&rst
ixpk= 183, nxpk= 0, iat= -1,1609, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1=1601,1602,1603,
&end
#
# 99 ILE QG2 100 PRO HA 4.45 (#peak 702 #SUP 0.99 #QF 0.99)
&rst
ixpk= 702, nxpk= 0, iat= -1,1617, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1594,1595,1596,
&end
#
# 99 ILE QG2 100 PRO HD2 3.04 (#peak 1685 #SUP 1.00)
&rst
ixpk= 1685, nxpk= 0, iat= -1,1608, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr1=1594,1595,1596,
&end
#
# 99 ILE QG2 100 PRO HD3 3.41 (#peak 1554 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1554, nxpk= 0, iat= -1,1609, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1=1594,1595,1596,
&end
#
# 99 ILE QG2 100 PRO QB 4.56 (#peak 626)
&rst
ixpk= 626, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1=1594,1595,1596,
igr2=1614,1615,
&end
#
# 99 ILE QG2 100 PRO QG 3.64 (#peak 973)
&rst
ixpk= 973, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=1594,1595,1596,
igr2=1611,1612,
&end
#
# 99 ILE QG2 99 ILE HG12 3.25 (#peak 1037 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1037, nxpk= 0, iat= -1,1598, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr1=1594,1595,1596,
&end
#
# 99 ILE QG2 99 ILE HG13 2.84 (#peak 1687 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1687, nxpk= 0, iat= -1,1599, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr1=1594,1595,1596,
&end
#
# 100 PRO HA 101 LYS+ HN 2.55 (#peak 695 #SUP 1.00)
&rst
ixpk= 695, nxpk= 0, iat=1617,1621, r1= 1.30, r2= 1.80, r3= 2.55, r4= 3.05, &end
#
# 100 PRO HA 101 LYS+ QG 4.54 (#peak 701)
&rst
ixpk= 701, nxpk= 0, iat=1617, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1628,1629,
&end
#
# 100 PRO HB2 101 LYS+ HN 3.53 (#peak 636 #SUP 0.73 #QF 0.73)
&rst
ixpk= 636, nxpk= 0, iat=1614,1621, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 100 PRO HB3 101 LYS+ HN 3.53 (#peak 161 #SUP 0.84 #QF 0.84)
&rst
ixpk= 161, nxpk= 0, iat=1615,1621, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 100 PRO HD3 101 LYS+ HN 5.50 (#peak 2320 #SUP 0.88 #QF 0.88)
&rst
ixpk= 2320, nxpk= 0, iat=1609,1621, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 100 PRO QB 101 LYS+ HN 2.90 (#peak 161)
&rst
ixpk= 161, nxpk= 0, iat= -1,1621, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1=1614,1615,
&end
#
# 101 LYS+ HA 101 LYS+ HB2 2.78 (#peak 1306 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1306, nxpk= 0, iat=1623,1625, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28, &end
#
# 101 LYS+ HA 101 LYS+ HB3 2.84 (#peak 599 #SUP 0.79 #QF 0.79)
&rst
ixpk= 599, nxpk= 0, iat=1623,1626, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34, &end
#
# 101 LYS+ HA 101 LYS+ HG2 4.23 (#peak 1307 #SUP 0.86 #QF 0.60)
&rst
ixpk= 1307, nxpk= 0, iat=1623,1628, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 101 LYS+ HA 101 LYS+ HG3 4.23 (#peak 1205 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1205, nxpk= 0, iat=1623,1629, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 101 LYS+ HA 101 LYS+ QG 3.55 (#peak 1205)
&rst
ixpk= 1205, nxpk= 0, iat=1623, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=1628,1629,
&end
#
# 101 LYS+ HG2 102 LYS+ HN 3.82 (#peak 101 #SUP 0.68 #QF 0.45)
&rst
ixpk= 101, nxpk= 0, iat=1628,1643, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 101 LYS+ HG3 102 LYS+ HN 3.82 (#peak 101 #SUP 0.68 #QF 0.45)
&rst
ixpk= 101, nxpk= 0, iat=1629,1643, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 101 LYS+ HN 101 LYS+ HB3 2.85 (#peak 163 #SUP 0.93 #QF 0.93)
&rst
ixpk= 163, nxpk= 0, iat=1621,1626, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, &end
#
# 101 LYS+ HN 101 LYS+ QG 2.93 (#peak 164)
&rst
ixpk= 164, nxpk= 0, iat=1621, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2=1628,1629,
&end
#
# 101 LYS+ QG 102 LYS+ HN 3.34 (#peak 101)
&rst
ixpk= 101, nxpk= 0, iat= -1,1643, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1=1628,1629,
&end
#
# 102 LYS+ HA 102 LYS+ HG2 3.84 (#peak 1209 #SUP 0.52 #QF 0.24)
&rst
ixpk= 1209, nxpk= 0, iat=1645,1650, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 102 LYS+ HA 102 LYS+ HG3 3.84 (#peak 1209 #SUP 0.52 #QF 0.24)
&rst
ixpk= 1209, nxpk= 0, iat=1645,1651, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 102 LYS+ HA 102 LYS+ QB 2.62 (#peak 1273)
&rst
ixpk= 1273, nxpk= 0, iat=1645, -1, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,
igr2=1647,1648,
&end
#
# 102 LYS+ HA 102 LYS+ QG 3.36 (#peak 1209)
&rst
ixpk= 1209, nxpk= 0, iat=1645, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1650,1651,
&end
#
# 102 LYS+ HA 103 GLY QA 5.34 (#peak 1247)
&rst
ixpk= 1247, nxpk= 0, iat=1645, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1667,1668,
&end
#
# 102 LYS+ HN 102 LYS+ HB2 2.94 (#peak 99 #SUP 0.86 #QF 0.86)
&rst
ixpk= 99, nxpk= 0, iat=1643,1647, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 102 LYS+ HN 102 LYS+ HB3 2.94 (#peak 100 #SUP 0.89 #QF 0.89)
&rst
ixpk= 100, nxpk= 0, iat=1643,1648, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 102 LYS+ HN 102 LYS+ QB 2.57 (#peak 99)
&rst
ixpk= 99, nxpk= 0, iat=1643, -1, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
igr2=1647,1648,
&end
#
# 102 LYS+ QB 102 LYS+ QE 4.44 (#peak 600)
&rst
ixpk= 600, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1=1647,1648,
igr2=1656,1657,
&end
#
# 103 GLY QA 104 VAL HN 2.89 (#peak 156)
&rst
ixpk= 156, nxpk= 0, iat= -1,1672, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr1=1667,1668,
&end
#
# 104 VAL HN 104 VAL HB 3.11 (#peak 157 #SUP 0.88 #QF 0.88)
&rst
ixpk= 157, nxpk= 0, iat=1672,1676, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 104 VAL HN 104 VAL QQG 3.03 (#peak 158)
&rst
ixpk= 158, nxpk= 0, iat=1672, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2=1678,1679,1680,1682,1683,1684,
&end
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