NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
554231 |
2rs9   |
11463 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 37 ILE QG2 5 ALY QI 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
igr1= 542, 543, 544,
igr2= 73, 74, 75,
&end
#
# 37 ILE QG2 5 ALY HZ 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 69, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 542, 543, 544,
&end
#
# 38 PHE QE 5 ALY QI 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 565, 569,
igr2= 73, 74, 75,
&end
#
# 42 VAL QG2 5 ALY QI 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 625, 626, 627,
igr2= 73, 74, 75,
&end
#
# 42 VAL QG2 5 ALY HZ 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 69, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 625, 626, 627,
&end
#
# 47 VAL QG2 5 ALY HA 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 55, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 700, 701, 702,
&end
#
# 47 VAL QG2 5 ALY HG2 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 60, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 700, 701, 702,
&end
#
# 47 VAL QG2 6 GLY HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 79, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 700, 701, 702,
&end
#
# 89 CYS HB2 5 ALY QI 5.00
&rst
ixpk= 0, nxpk= 0, iat=1397, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 73, 74, 75,
&end
#
# 94 ALA QB 4 GLY HA3 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 49, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1484,1485,1486,
&end
#
# 92 TYR QE 6 GLY QA 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1455,1460,
igr2= 81, 82,
&end
#
# 92 TYR QE 5 ALY HG2 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 60, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1455,1460,
&end
#
# 99 PHE QD 5 ALY QI 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1565,1573,
igr2= 73, 74, 75,
&end
#
# 100 TYR HA 5 ALY QI 5.00
&rst
ixpk= 0, nxpk= 0, iat=1579, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 73, 74, 75,
&end
#
# 53 HID HE1 7 GLY QA 3.00
&rst
ixpk= 0, nxpk= 0, iat= 794, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 88, 89,
&end
#
# 59 ASP HB2 41 PRO HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 899, 611, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 59 ASP HB3 41 PRO HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 900, 611, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 92 TYR QD 50 TYR QE 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1453,1462,
igr2= 742, 747,
&end
#
# 18 PHE HN 18 PHE HB2 3.76 (#peak 1 #SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 209, 213, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 18 PHE HN 18 PHE HB3 3.76 (#peak 2 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2, nxpk= 0, iat= 209, 214, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 72 TYR QD 73 LEU HN 4.19 (#peak 4 #SUP 0.95 #QF 0.95)
&rst
ixpk= 4, nxpk= 0, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1=1128,1137,
&end
#
# 72 TYR HA 73 LEU HN 3.49 (#peak 5 #SUP 0.99 #QF 0.99)
&rst
ixpk= 5, nxpk= 0, iat=1122,1141, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 73 LEU HN 73 LEU HB2 4.18 (#peak 7 #SUP 1.00)
&rst
ixpk= 7, nxpk= 0, iat=1141,1145, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 67 LEU HN 72 TYR QE 4.60 (#peak 15 #SUP 0.99 #QF 0.99)
&rst
ixpk= 15, nxpk= 0, iat=1031, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1130,1135,
&end
#
# 117 ALA HN 118 ARG HN 3.59 (#peak 19 #SUP 1.00)
&rst
ixpk= 19, nxpk= 0, iat=1857,1867, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 116 GLN HB2 117 ALA HN 4.03 (#peak 22 #SUP 1.00)
&rst
ixpk= 22, nxpk= 0, iat=1844,1857, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 121 ALA HN 122 GLU HN 3.56 (#peak 24 #SUP 0.99 #QF 0.99)
&rst
ixpk= 24, nxpk= 0, iat=1932,1942, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 120 GLN HB2 121 ALA HN 3.85 (#peak 27 #SUP 1.00)
&rst
ixpk= 27, nxpk= 0, iat=1919,1932, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 120 GLN HB3 121 ALA HN 4.08 (#peak 28 #SUP 1.00)
&rst
ixpk= 28, nxpk= 0, iat=1920,1932, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 120 GLN HN 121 ALA HN 3.45 (#peak 32 #SUP 1.00)
&rst
ixpk= 32, nxpk= 0, iat=1915,1932, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 26 LEU HN 26 LEU HB2 4.02 (#peak 33 #SUP 1.00)
&rst
ixpk= 33, nxpk= 0, iat= 365, 369, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 25 THR HN 26 LEU HN 3.81 (#peak 36 #SUP 0.93 #QF 0.93)
&rst
ixpk= 36, nxpk= 0, iat= 351, 365, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 26 LEU HN 78 PHE HZ 4.22 (#peak 38 #SUP 0.99 #QF 0.99)
&rst
ixpk= 38, nxpk= 0, iat= 365,1230, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 25 THR HB 26 LEU HN 3.83 (#peak 39 #SUP 1.00 #QF 0.93)
&rst
ixpk= 39, nxpk= 0, iat= 355, 365, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 22 LEU HN 23 ARG HN 3.88 (#peak 42 #SUP 0.99 #QF 0.99)
&rst
ixpk= 42, nxpk= 0, iat= 286, 305, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 21 LEU HB2 22 LEU HN 4.14 (#peak 44 #SUP 0.99 #QF 0.99)
&rst
ixpk= 44, nxpk= 0, iat= 271, 286, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 21 LEU QD1 22 LEU HN 5.26 (#peak 46 #SUP 1.00 #QF 0.88)
&rst
ixpk= 46, nxpk= 0, iat= -1, 286, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 276, 277, 278,
&end
#
# 21 LEU QD2 22 LEU HN 5.50 (#peak 46 #SUP 1.00 #QF 0.88)
&rst
ixpk= 46, nxpk= 0, iat= -1, 286, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 280, 281, 282,
&end
#
# 22 LEU HN 67 LEU QD2 5.50 (#peak 46 #SUP 1.00 #QF 0.88)
&rst
ixpk= 46, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1044,1045,1046,
&end
#
# 22 LEU HN 22 LEU HG 3.78 (#peak 47 #SUP 0.97 #QF 0.63)
&rst
ixpk= 47, nxpk= 0, iat= 286, 293, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 83 ASN HN 84 LEU HN 3.80 (#peak 50 #SUP 0.92 #QF 0.92)
&rst
ixpk= 50, nxpk= 0, iat=1300,1314, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 84 LEU HN 85 ILE HN 3.86 (#peak 51 #SUP 0.96 #QF 0.96)
&rst
ixpk= 51, nxpk= 0, iat=1314,1333, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 84 LEU HN 84 LEU HB3 3.77 (#peak 52 #SUP 0.76 #QF 0.76)
&rst
ixpk= 52, nxpk= 0, iat=1314,1319, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 111 GLY HN 112 ALA HN 3.62 (#peak 53 #SUP 0.95 #QF 0.95)
&rst
ixpk= 53, nxpk= 0, iat=1764,1771, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 112 ALA HN 113 VAL HN 3.49 (#peak 54 #SUP 0.98 #QF 0.98)
&rst
ixpk= 54, nxpk= 0, iat=1771,1781, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 94 ALA HN 97 THR QG2 3.77 (#peak 59 #SUP 1.00)
&rst
ixpk= 59, nxpk= 0, iat=1480, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1530,1531,1532,
&end
#
# 52 ASP HN 54 ILE HN 4.30 (#peak 62 #SUP 0.90 #QF 0.90)
&rst
ixpk= 62, nxpk= 0, iat= 772, 801, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 102 ALA HN 103 ALA HN 3.87 (#peak 66 #SUP 0.83 #QF 0.83)
&rst
ixpk= 66, nxpk= 0, iat=1622,1632, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 106 LEU HN 107 ARG HN 3.99 (#peak 68 #SUP 0.99 #QF 0.99)
&rst
ixpk= 68, nxpk= 0, iat=1682,1701, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 105 ARG HN 106 LEU HN 3.82 (#peak 69 #SUP 0.99 #QF 0.99)
&rst
ixpk= 69, nxpk= 0, iat=1658,1682, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 105 ARG QB 106 LEU HN 3.80 (#peak 71 #SUP 1.00)
&rst
ixpk= 71, nxpk= 0, iat= -1,1682, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1662,1663,
&end
#
# 106 LEU HN 106 LEU HB2 3.75 (#peak 72 #SUP 1.00)
&rst
ixpk= 72, nxpk= 0, iat=1682,1686, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 106 LEU HN 106 LEU HB3 3.86 (#peak 73 #SUP 1.00 #QF 0.99)
&rst
ixpk= 73, nxpk= 0, iat=1682,1687, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 106 LEU HN 106 LEU HG 4.06 (#peak 73 #SUP 1.00 #QF 0.99)
&rst
ixpk= 73, nxpk= 0, iat=1682,1689, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 32 LYS HN 33 ASP HN 3.51 (#peak 74 #SUP 0.90 #QF 0.90)
&rst
ixpk= 74, nxpk= 0, iat= 467, 489, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 33 ASP HN 33 ASP HB2 3.71 (#peak 76 #SUP 0.98 #QF 0.98)
&rst
ixpk= 76, nxpk= 0, iat= 489, 493, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 30 GLN HA 33 ASP HN 4.12 (#peak 77 #SUP 0.85 #QF 0.85)
&rst
ixpk= 77, nxpk= 0, iat= 437, 489, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 33 ASP HN 33 ASP HB3 3.71 (#peak 78 #SUP 0.98 #QF 0.98)
&rst
ixpk= 78, nxpk= 0, iat= 489, 494, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 21 LEU HN 21 LEU QD2 3.82 (#peak 81 #SUP 1.00 #QF 0.50)
&rst
ixpk= 81, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 280, 281, 282,
&end
#
# 21 LEU HN 22 LEU HN 3.72 (#peak 82 #SUP 0.98 #QF 0.98)
&rst
ixpk= 82, nxpk= 0, iat= 267, 286, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 21 LEU HN 21 LEU HB2 3.65 (#peak 85 #SUP 0.98 #QF 0.98)
&rst
ixpk= 85, nxpk= 0, iat= 267, 271, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 20 ILE HB 21 LEU HN 3.84 (#peak 86 #SUP 0.99 #QF 0.99)
&rst
ixpk= 86, nxpk= 0, iat= 252, 267, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 21 LEU HN 21 LEU HB3 3.65 (#peak 87 #SUP 1.00)
&rst
ixpk= 87, nxpk= 0, iat= 267, 272, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 75 PHE HN 75 PHE HB2 3.71 (#peak 89 #SUP 0.99 #QF 0.97)
&rst
ixpk= 89, nxpk= 0, iat=1174,1178, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 64 LYS HN 64 LYS HB2 3.62 (#peak 91 #SUP 0.99 #QF 0.99)
&rst
ixpk= 91, nxpk= 0, iat= 978, 982, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 64 LYS HN 64 LYS HB3 3.62 (#peak 92 #SUP 1.00)
&rst
ixpk= 92, nxpk= 0, iat= 978, 983, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 107 ARG HN 108 GLU HN 4.00 (#peak 96 #SUP 0.99 #QF 0.99)
&rst
ixpk= 96, nxpk= 0, iat=1701,1725, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 104 VAL HA 107 ARG HN 4.29 (#peak 98 #SUP 1.00)
&rst
ixpk= 98, nxpk= 0, iat=1644,1701, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 107 ARG HN 107 ARG HB3 3.77 (#peak 99 #SUP 0.98 #QF 0.98)
&rst
ixpk= 99, nxpk= 0, iat=1701,1706, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 107 ARG HN 107 ARG HB2 3.90 (#peak 100 #SUP 1.00)
&rst
ixpk= 100, nxpk= 0, iat=1701,1705, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 106 LEU HB2 107 ARG HN 4.02 (#peak 101 #SUP 0.97 #QF 0.97)
&rst
ixpk= 101, nxpk= 0, iat=1686,1701, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 106 LEU HB3 107 ARG HN 4.08 (#peak 102 #SUP 0.99 #QF 0.99)
&rst
ixpk= 102, nxpk= 0, iat=1687,1701, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 82 PHE HN 83 ASN HN 3.70 (#peak 104 #SUP 0.96 #QF 0.96)
&rst
ixpk= 104, nxpk= 0, iat=1280,1300, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 81 ASP HN 82 PHE HN 3.63 (#peak 105 #SUP 0.85 #QF 0.85)
&rst
ixpk= 105, nxpk= 0, iat=1268,1280, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 82 PHE HN 82 PHE HB3 3.69 (#peak 107 #SUP 0.99 #QF 0.99)
&rst
ixpk= 107, nxpk= 0, iat=1280,1285, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 82 PHE HN 82 PHE HB2 3.72 (#peak 108 #SUP 1.00)
&rst
ixpk= 108, nxpk= 0, iat=1280,1284, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 78 PHE HN 79 GLU HN 3.62 (#peak 110 #SUP 0.93 #QF 0.93)
&rst
ixpk= 110, nxpk= 0, iat=1218,1238, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 77 ASP HN 78 PHE HN 3.80 (#peak 111 #SUP 0.91 #QF 0.91)
&rst
ixpk= 111, nxpk= 0, iat=1206,1218, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 78 PHE HN 78 PHE QD 4.44 (#peak 112 #SUP 1.00)
&rst
ixpk= 112, nxpk= 0, iat=1218, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=1226,1234,
&end
#
# 77 ASP HB2 78 PHE HN 4.19 (#peak 114 #SUP 1.00 #QF 0.67)
&rst
ixpk= 114, nxpk= 0, iat=1210,1218, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 77 ASP HB3 78 PHE HN 4.19 (#peak 115 #SUP 0.94 #QF 0.94)
&rst
ixpk= 115, nxpk= 0, iat=1211,1218, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 78 PHE HN 78 PHE HB2 3.73 (#peak 116 #SUP 0.98 #QF 0.98)
&rst
ixpk= 116, nxpk= 0, iat=1218,1222, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 78 PHE HN 78 PHE HB3 3.73 (#peak 117 #SUP 0.97 #QF 0.97)
&rst
ixpk= 117, nxpk= 0, iat=1218,1223, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 114 LEU HN 115 ARG HN 3.65 (#peak 118 #SUP 0.88 #QF 0.88)
&rst
ixpk= 118, nxpk= 0, iat=1797,1816, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 113 VAL HB 114 LEU HN 3.82 (#peak 121 #SUP 1.00)
&rst
ixpk= 121, nxpk= 0, iat=1785,1797, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 114 LEU HN 114 LEU HB2 3.98 (#peak 122 #SUP 0.99 #QF 0.99)
&rst
ixpk= 122, nxpk= 0, iat=1797,1801, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 114 LEU HN 114 LEU HB3 3.99 (#peak 123 #SUP 1.00)
&rst
ixpk= 123, nxpk= 0, iat=1797,1802, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 114 LEU HN 114 LEU HG 3.73 (#peak 124 #SUP 1.00)
&rst
ixpk= 124, nxpk= 0, iat=1797,1804, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 118 ARG HE 119 ARG HN 4.47 (#peak 131 #SUP 0.75 #QF 0.75)
&rst
ixpk= 131, nxpk= 0, iat=1880,1891, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 23 ARG HN 23 ARG QB 3.46 (#peak 135 #SUP 1.00)
&rst
ixpk= 135, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 309, 310,
&end
#
# 23 ARG HN 23 ARG HG2 4.36 (#peak 137 #SUP 1.00)
&rst
ixpk= 137, nxpk= 0, iat= 305, 312, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 79 GLU HN 79 GLU QG 4.12 (#peak 140 #SUP 0.82 #QF 0.82)
&rst
ixpk= 140, nxpk= 0, iat=1238, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1245,1246,
&end
#
# 29 LEU HN 30 GLN HN 3.60 (#peak 142 #SUP 0.98 #QF 0.98)
&rst
ixpk= 142, nxpk= 0, iat= 416, 435, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 26 LEU QD1 29 LEU HN 4.74 (#peak 145 #SUP 0.75 #QF 0.75)
&rst
ixpk= 145, nxpk= 0, iat= -1, 416, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 374, 375, 376,
&end
#
# 28 GLN HB3 29 LEU HN 4.46 (#peak 146 #SUP 1.00 #QF 0.96)
&rst
ixpk= 146, nxpk= 0, iat= 404, 416, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 115 ARG HN 115 ARG HB3 3.66 (#peak 150 #SUP 0.98 #QF 0.98)
&rst
ixpk= 150, nxpk= 0, iat=1816,1821, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 114 LEU HB3 115 ARG HN 4.11 (#peak 151 #SUP 0.98 #QF 0.98)
&rst
ixpk= 151, nxpk= 0, iat=1802,1816, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 18 PHE HN 19 LEU HN 3.84 (#peak 153 #SUP 1.00)
&rst
ixpk= 153, nxpk= 0, iat= 209, 229, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 18 PHE HB3 19 LEU HN 4.49 (#peak 155 #SUP 0.99 #QF 0.99)
&rst
ixpk= 155, nxpk= 0, iat= 214, 229, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 19 LEU HN 19 LEU HG 3.54 (#peak 157 #SUP 0.99 #QF 0.86)
&rst
ixpk= 157, nxpk= 0, iat= 229, 236, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 19 LEU HN 19 LEU QD1 4.23 (#peak 158 #SUP 1.00 #QF 0.99)
&rst
ixpk= 158, nxpk= 0, iat= 229, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 238, 239, 240,
&end
#
# 19 LEU HN 19 LEU QD2 4.43 (#peak 158 #SUP 1.00 #QF 0.99)
&rst
ixpk= 158, nxpk= 0, iat= 229, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 242, 243, 244,
&end
#
# 28 GLN HB2 29 LEU HN 4.46 (#peak 160 #SUP 1.00 #QF 0.71)
&rst
ixpk= 160, nxpk= 0, iat= 403, 416, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 62 THR HN 63 MET HN 3.93 (#peak 164 #SUP 0.94 #QF 0.94)
&rst
ixpk= 164, nxpk= 0, iat= 947, 961, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 62 THR HB 63 MET HN 4.03 (#peak 167 #SUP 0.97 #QF 0.97)
&rst
ixpk= 167, nxpk= 0, iat= 951, 961, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 63 MET HN 63 MET HB2 4.11 (#peak 168 #SUP 0.99 #QF 0.99)
&rst
ixpk= 168, nxpk= 0, iat= 961, 965, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 63 MET HN 63 MET HG3 4.07 (#peak 169 #SUP 0.99 #QF 0.99)
&rst
ixpk= 169, nxpk= 0, iat= 961, 969, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 62 THR QG2 63 MET HN 3.91 (#peak 170 #SUP 1.00)
&rst
ixpk= 170, nxpk= 0, iat= -1, 961, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 953, 954, 955,
&end
#
# 63 MET HN 63 MET HG2 4.07 (#peak 172 #SUP 0.86 #QF 0.86)
&rst
ixpk= 172, nxpk= 0, iat= 961, 968, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 66 ASN HN 67 LEU HN 3.81 (#peak 178 #SUP 0.93 #QF 0.93)
&rst
ixpk= 178, nxpk= 0, iat=1017,1031, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 66 ASN HN 66 ASN HB2 3.84 (#peak 179 #SUP 0.98 #QF 0.98)
&rst
ixpk= 179, nxpk= 0, iat=1017,1021, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 66 ASN HN 66 ASN HB3 4.01 (#peak 180 #SUP 1.00)
&rst
ixpk= 180, nxpk= 0, iat=1017,1022, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 65 GLN HB2 66 ASN HN 3.86 (#peak 184 #SUP 0.99 #QF 0.99)
&rst
ixpk= 184, nxpk= 0, iat=1004,1017, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 65 GLN HB3 66 ASN HN 3.86 (#peak 185 #SUP 0.98 #QF 0.98)
&rst
ixpk= 185, nxpk= 0, iat=1005,1017, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 118 ARG HN 118 ARG HB3 3.91 (#peak 190 #SUP 0.97 #QF 0.91)
&rst
ixpk= 190, nxpk= 0, iat=1867,1872, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 24 LYS HN 25 THR HN 3.60 (#peak 191 #SUP 0.93 #QF 0.93)
&rst
ixpk= 191, nxpk= 0, iat= 329, 351, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 24 LYS HN 24 LYS QB 3.02 (#peak 193 #SUP 0.97 #QF 0.36)
&rst
ixpk= 193, nxpk= 0, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr2= 333, 334,
&end
#
# 31 GLU HN 31 GLU HG2 3.75 (#peak 198 #SUP 0.99 #QF 0.99)
&rst
ixpk= 198, nxpk= 0, iat= 452, 459, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 31 GLU HN 31 GLU HB2 3.74 (#peak 200 #SUP 1.00)
&rst
ixpk= 200, nxpk= 0, iat= 452, 456, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 31 GLU HN 31 GLU HB3 3.74 (#peak 201 #SUP 1.00)
&rst
ixpk= 201, nxpk= 0, iat= 452, 457, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 105 ARG HN 105 ARG HG2 4.64 (#peak 202 #SUP 0.56 #QF 0.56)
&rst
ixpk= 202, nxpk= 0, iat=1658,1665, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 30 GLN HB2 31 GLU HN 3.98 (#peak 203 #SUP 0.99 #QF 0.99)
&rst
ixpk= 203, nxpk= 0, iat= 439, 452, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 30 GLN HB3 31 GLU HN 3.98 (#peak 204 #SUP 0.98 #QF 0.98)
&rst
ixpk= 204, nxpk= 0, iat= 440, 452, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 104 VAL HN 105 ARG HN 3.73 (#peak 206 #SUP 0.99 #QF 0.99)
&rst
ixpk= 206, nxpk= 0, iat=1642,1658, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 104 VAL HB 105 ARG HN 3.70 (#peak 208 #SUP 0.99 #QF 0.99)
&rst
ixpk= 208, nxpk= 0, iat=1646,1658, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 105 ARG HN 105 ARG QB 3.30 (#peak 209 #SUP 0.99 #QF 0.99)
&rst
ixpk= 209, nxpk= 0, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1662,1663,
&end
#
# 103 ALA QB 105 ARG HN 4.81 (#peak 211 #SUP 1.00 #QF 0.60)
&rst
ixpk= 211, nxpk= 0, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1=1636,1637,1638,
&end
#
# 69 ALA HN 71 ARG HN 4.27 (#peak 213 #SUP 0.99 #QF 0.99)
&rst
ixpk= 213, nxpk= 0, iat=1065,1096, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 69 ALA HN 70 TYR HA 4.89 (#peak 214 #SUP 0.99 #QF 0.99)
&rst
ixpk= 214, nxpk= 0, iat=1065,1077, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 68 GLU HB3 69 ALA HN 4.58 (#peak 215 #SUP 0.98 #QF 0.98)
&rst
ixpk= 215, nxpk= 0, iat=1055,1065, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 68 GLU HN 69 ALA HN 3.45 (#peak 216 #SUP 0.96 #QF 0.96)
&rst
ixpk= 216, nxpk= 0, iat=1050,1065, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 69 ALA HN 70 TYR HN 3.27 (#peak 217 #SUP 0.98 #QF 0.98)
&rst
ixpk= 217, nxpk= 0, iat=1065,1075, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 66 ASN HA 69 ALA HN 4.19 (#peak 219 #SUP 1.00 #QF 0.49)
&rst
ixpk= 219, nxpk= 0, iat=1019,1065, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 108 GLU HN 108 GLU HB2 3.53 (#peak 225 #SUP 1.00 #QF 0.99)
&rst
ixpk= 225, nxpk= 0, iat=1725,1729, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 85 ILE HN 85 ILE HB 3.92 (#peak 227 #SUP 1.00)
&rst
ixpk= 227, nxpk= 0, iat=1333,1337, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 113 VAL HN 114 LEU HN 3.54 (#peak 228 #SUP 0.98 #QF 0.98)
&rst
ixpk= 228, nxpk= 0, iat=1781,1797, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 113 VAL HN 113 VAL HB 3.42 (#peak 231 #SUP 0.99 #QF 0.99)
&rst
ixpk= 231, nxpk= 0, iat=1781,1785, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 71 ARG HN 72 TYR HN 3.35 (#peak 239 #SUP 0.99 #QF 0.99)
&rst
ixpk= 239, nxpk= 0, iat=1096,1120, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 70 TYR HN 72 TYR HN 4.67 (#peak 240 #SUP 0.97 #QF 0.97)
&rst
ixpk= 240, nxpk= 0, iat=1075,1120, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 72 TYR HN 72 TYR QD 3.98 (#peak 241 #SUP 1.00)
&rst
ixpk= 241, nxpk= 0, iat=1120, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=1128,1137,
&end
#
# 70 TYR HA 72 TYR HN 3.94 (#peak 243 #SUP 0.83 #QF 0.83)
&rst
ixpk= 243, nxpk= 0, iat=1077,1120, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 72 TYR HN 72 TYR HB2 3.85 (#peak 245 #SUP 0.99 #QF 0.99)
&rst
ixpk= 245, nxpk= 0, iat=1120,1124, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 72 TYR HN 72 TYR HB3 3.85 (#peak 246 #SUP 0.99 #QF 0.99)
&rst
ixpk= 246, nxpk= 0, iat=1120,1125, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 71 ARG HB2 72 TYR HN 4.21 (#peak 247 #SUP 0.97 #QF 0.97)
&rst
ixpk= 247, nxpk= 0, iat=1100,1120, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 71 ARG HB3 72 TYR HN 4.21 (#peak 248 #SUP 0.98 #QF 0.98)
&rst
ixpk= 248, nxpk= 0, iat=1101,1120, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 28 GLN HN 28 GLN HG3 3.74 (#peak 249 #SUP 1.00)
&rst
ixpk= 249, nxpk= 0, iat= 399, 407, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 28 GLN HN 29 LEU HN 3.73 (#peak 250 #SUP 0.99 #QF 0.99)
&rst
ixpk= 250, nxpk= 0, iat= 399, 416, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 27 GLU HN 28 GLN HN 3.68 (#peak 251 #SUP 1.00)
&rst
ixpk= 251, nxpk= 0, iat= 384, 399, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 28 GLN HN 28 GLN HG2 3.74 (#peak 253 #SUP 1.00)
&rst
ixpk= 253, nxpk= 0, iat= 399, 406, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 28 GLN HN 28 GLN HB2 3.64 (#peak 254 #SUP 1.00)
&rst
ixpk= 254, nxpk= 0, iat= 399, 403, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 27 GLU HB2 28 GLN HN 4.19 (#peak 255 #SUP 0.78 #QF 0.78)
&rst
ixpk= 255, nxpk= 0, iat= 388, 399, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 27 GLU HB3 28 GLN HN 4.19 (#peak 256 #SUP 1.00)
&rst
ixpk= 256, nxpk= 0, iat= 389, 399, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 28 GLN HN 28 GLN HB3 3.64 (#peak 257 #SUP 1.00)
&rst
ixpk= 257, nxpk= 0, iat= 399, 404, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 20 ILE HN 21 LEU HN 3.77 (#peak 258 #SUP 0.99 #QF 0.99)
&rst
ixpk= 258, nxpk= 0, iat= 248, 267, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 19 LEU HB2 20 ILE HN 3.81 (#peak 260 #SUP 1.00 #QF 0.57)
&rst
ixpk= 260, nxpk= 0, iat= 233, 248, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 20 ILE HN 20 ILE HG12 3.97 (#peak 261 #SUP 1.00)
&rst
ixpk= 261, nxpk= 0, iat= 248, 258, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 19 LEU HB3 20 ILE HN 4.01 (#peak 262 #SUP 0.98 #QF 0.98)
&rst
ixpk= 262, nxpk= 0, iat= 234, 248, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 20 ILE HN 20 ILE QG2 3.87 (#peak 264 #SUP 0.99 #QF 0.99)
&rst
ixpk= 264, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 254, 255, 256,
&end
#
# 75 PHE HN 76 ASP HN 3.79 (#peak 266 #SUP 0.97 #QF 0.97)
&rst
ixpk= 266, nxpk= 0, iat=1174,1194, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 74 ASN HB2 76 ASP HN 4.50 (#peak 268 #SUP 0.90 #QF 0.90)
&rst
ixpk= 268, nxpk= 0, iat=1164,1194, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 122 GLU HA 123 LYS HN 3.55 (#peak 272 #SUP 1.00)
&rst
ixpk= 272, nxpk= 0, iat=1944,1957, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 27 GLU HN 27 GLU HG2 3.68 (#peak 275 #SUP 0.95 #QF 0.95)
&rst
ixpk= 275, nxpk= 0, iat= 384, 391, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 122 GLU HN 123 LYS HN 3.36 (#peak 276 #SUP 0.99 #QF 0.99)
&rst
ixpk= 276, nxpk= 0, iat=1942,1957, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 122 GLU HB2 123 LYS HN 3.73 (#peak 278 #SUP 0.94 #QF 0.94)
&rst
ixpk= 278, nxpk= 0, iat=1946,1957, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 123 LYS HN 123 LYS HB2 3.61 (#peak 279 #SUP 1.00)
&rst
ixpk= 279, nxpk= 0, iat=1957,1961, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 123 LYS HN 123 LYS HG3 3.83 (#peak 282 #SUP 1.00)
&rst
ixpk= 282, nxpk= 0, iat=1957,1965, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 51 LEU HN 52 ASP HN 3.72 (#peak 283 #SUP 0.99 #QF 0.99)
&rst
ixpk= 283, nxpk= 0, iat= 753, 772, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 52 ASP HN 53 HID HN 3.62 (#peak 284 #SUP 0.87 #QF 0.87)
&rst
ixpk= 284, nxpk= 0, iat= 772, 784, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 52 ASP HN 52 ASP HB2 4.21 (#peak 285 #SUP 0.92 #QF 0.92)
&rst
ixpk= 285, nxpk= 0, iat= 772, 776, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 109 GLN HN 110 GLY HN 3.79 (#peak 289 #SUP 0.98 #QF 0.98)
&rst
ixpk= 289, nxpk= 0, iat=1740,1757, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 108 GLU HB2 109 GLN HN 3.84 (#peak 291 #SUP 1.00)
&rst
ixpk= 291, nxpk= 0, iat=1729,1740, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 122 GLU HN 122 GLU HB2 3.40 (#peak 294 #SUP 0.99 #QF 0.99)
&rst
ixpk= 294, nxpk= 0, iat=1942,1946, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 122 GLU HN 122 GLU HB3 3.66 (#peak 295 #SUP 1.00)
&rst
ixpk= 295, nxpk= 0, iat=1942,1947, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 40 GLU HN 40 GLU HB3 3.81 (#peak 299 #SUP 0.99 #QF 0.99)
&rst
ixpk= 299, nxpk= 0, iat= 586, 591, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 40 GLU HN 40 GLU HB2 3.50 (#peak 300 #SUP 0.98 #QF 0.98)
&rst
ixpk= 300, nxpk= 0, iat= 586, 590, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 26 LEU HN 27 GLU HN 3.93 (#peak 301 #SUP 0.99 #QF 0.99)
&rst
ixpk= 301, nxpk= 0, iat= 365, 384, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 27 GLU HN 27 GLU HB3 3.72 (#peak 303 #SUP 0.99 #QF 0.99)
&rst
ixpk= 303, nxpk= 0, iat= 384, 389, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 26 LEU HG 27 GLU HN 4.65 (#peak 304 #SUP 0.89 #QF 0.66)
&rst
ixpk= 304, nxpk= 0, iat= 372, 384, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 121 ALA QB 124 MET HN 5.02 (#peak 306 #SUP 0.99 #QF 0.28)
&rst
ixpk= 306, nxpk= 0, iat= -1,1979, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1=1936,1937,1938,
&end
#
# 123 LYS HN 124 MET HN 3.12 (#peak 308 #SUP 0.97 #QF 0.97)
&rst
ixpk= 308, nxpk= 0, iat=1957,1979, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 124 MET HN 124 MET HG2 3.68 (#peak 311 #SUP 1.00)
&rst
ixpk= 311, nxpk= 0, iat=1979,1986, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 124 MET HN 124 MET HG3 3.68 (#peak 312 #SUP 1.00)
&rst
ixpk= 312, nxpk= 0, iat=1979,1987, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 27 GLU HN 27 GLU HB2 3.72 (#peak 313 #SUP 0.98 #QF 0.29)
&rst
ixpk= 313, nxpk= 0, iat= 384, 388, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 123 LYS HB2 124 MET HN 4.05 (#peak 314 #SUP 0.99 #QF 0.99)
&rst
ixpk= 314, nxpk= 0, iat=1961,1979, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 123 LYS HB3 124 MET HN 4.05 (#peak 315 #SUP 1.00)
&rst
ixpk= 315, nxpk= 0, iat=1962,1979, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 108 GLU HB3 109 GLN HN 3.76 (#peak 317 #SUP 1.00)
&rst
ixpk= 317, nxpk= 0, iat=1730,1740, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 65 GLN HN 66 ASN HN 3.72 (#peak 321 #SUP 1.00)
&rst
ixpk= 321, nxpk= 0, iat=1000,1017, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 64 LYS HN 65 GLN HN 3.60 (#peak 322 #SUP 0.98 #QF 0.98)
&rst
ixpk= 322, nxpk= 0, iat= 978,1000, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 62 THR HA 65 GLN HN 4.26 (#peak 324 #SUP 1.00)
&rst
ixpk= 324, nxpk= 0, iat= 949,1000, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 65 GLN HN 65 GLN HG2 3.42 (#peak 326 #SUP 1.00)
&rst
ixpk= 326, nxpk= 0, iat=1000,1007, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 65 GLN HN 65 GLN HG3 3.42 (#peak 327 #SUP 0.98 #QF 0.98)
&rst
ixpk= 327, nxpk= 0, iat=1000,1008, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 120 GLN HN 120 GLN HG2 3.72 (#peak 333 #SUP 1.00)
&rst
ixpk= 333, nxpk= 0, iat=1915,1922, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 120 GLN HN 120 GLN HB2 3.55 (#peak 334 #SUP 1.00)
&rst
ixpk= 334, nxpk= 0, iat=1915,1919, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 120 GLN HN 120 GLN HB3 3.62 (#peak 335 #SUP 0.99 #QF 0.99)
&rst
ixpk= 335, nxpk= 0, iat=1915,1920, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 119 ARG QB 120 GLN HN 3.83 (#peak 336 #SUP 0.97 #QF 0.97)
&rst
ixpk= 336, nxpk= 0, iat= -1,1915, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=1895,1896,
&end
#
# 120 GLN HN 121 ALA QB 4.84 (#peak 337 #SUP 1.00 #QF 0.99)
&rst
ixpk= 337, nxpk= 0, iat=1915, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=1936,1937,1938,
&end
#
# 59 ASP HN 62 THR HB 4.11 (#peak 339 #SUP 0.96 #QF 0.96)
&rst
ixpk= 339, nxpk= 0, iat= 895, 951, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 115 ARG HN 116 GLN HN 3.46 (#peak 344 #SUP 0.99 #QF 0.99)
&rst
ixpk= 344, nxpk= 0, iat=1816,1840, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 116 GLN HN 117 ALA HN 3.35 (#peak 345 #SUP 0.99 #QF 0.99)
&rst
ixpk= 345, nxpk= 0, iat=1840,1857, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 116 GLN HN 116 GLN HB3 3.26 (#peak 350 #SUP 0.99 #QF 0.99)
&rst
ixpk= 350, nxpk= 0, iat=1840,1845, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 116 GLN HN 116 GLN HB2 3.69 (#peak 351 #SUP 0.98 #QF 0.98)
&rst
ixpk= 351, nxpk= 0, iat=1840,1844, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 115 ARG HB2 116 GLN HN 3.96 (#peak 352 #SUP 0.99 #QF 0.99)
&rst
ixpk= 352, nxpk= 0, iat=1820,1840, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 115 ARG HB3 116 GLN HN 3.96 (#peak 353 #SUP 1.00)
&rst
ixpk= 353, nxpk= 0, iat=1821,1840, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 112 ALA QB 116 GLN HN 5.19 (#peak 354 #SUP 1.00 #QF 0.98)
&rst
ixpk= 354, nxpk= 0, iat= -1,1840, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1=1775,1776,1777,
&end
#
# 80 GLU HN 81 ASP HN 3.78 (#peak 355 #SUP 0.99 #QF 0.99)
&rst
ixpk= 355, nxpk= 0, iat=1253,1268, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 79 GLU QB 80 GLU HN 3.44 (#peak 359 #SUP 0.89 #QF 0.66)
&rst
ixpk= 359, nxpk= 0, iat= -1,1253, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr1=1242,1243,
&end
#
# 30 GLN HN 31 GLU HN 3.64 (#peak 360 #SUP 0.97 #QF 0.97)
&rst
ixpk= 360, nxpk= 0, iat= 435, 452, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 27 GLU HA 30 GLN HN 4.44 (#peak 361 #SUP 0.93 #QF 0.90)
&rst
ixpk= 361, nxpk= 0, iat= 386, 435, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 29 LEU HB2 30 GLN HN 4.36 (#peak 364 #SUP 0.98 #QF 0.96)
&rst
ixpk= 364, nxpk= 0, iat= 420, 435, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 67 LEU HB3 68 GLU HN 4.58 (#peak 364 #SUP 0.98 #QF 0.96)
&rst
ixpk= 364, nxpk= 0, iat=1036,1050, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 25 THR HN 25 THR HB 3.76 (#peak 370 #SUP 1.00 #QF 0.95)
&rst
ixpk= 370, nxpk= 0, iat= 351, 355, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 29 LEU HB3 30 GLN HN 4.36 (#peak 371 #SUP 0.86 #QF 0.86)
&rst
ixpk= 371, nxpk= 0, iat= 421, 435, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 91 LYS HN 92 TYR HN 3.74 (#peak 374 #SUP 0.96 #QF 0.96)
&rst
ixpk= 374, nxpk= 0, iat=1423,1445, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 91 LYS HN 91 LYS QB 3.26 (#peak 376 #SUP 1.00)
&rst
ixpk= 376, nxpk= 0, iat=1423, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2=1427,1428,
&end
#
# 25 THR HN 25 THR HG1 3.49 (#peak 377 #SUP 0.72 #QF 0.72)
&rst
ixpk= 377, nxpk= 0, iat= 351, 361, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 21 LEU HA 25 THR HN 4.31 (#peak 378 #SUP 0.91 #QF 0.91)
&rst
ixpk= 378, nxpk= 0, iat= 269, 351, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 67 LEU HN 68 GLU HN 4.06 (#peak 383 #SUP 0.99 #QF 0.99)
&rst
ixpk= 383, nxpk= 0, iat=1031,1050, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 68 GLU HN 68 GLU HG2 4.01 (#peak 386 #SUP 0.98 #QF 0.98)
&rst
ixpk= 386, nxpk= 0, iat=1050,1057, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 68 GLU HN 68 GLU HG3 4.01 (#peak 387 #SUP 1.00)
&rst
ixpk= 387, nxpk= 0, iat=1050,1058, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 67 LEU HB2 68 GLU HN 4.58 (#peak 388 #SUP 1.00)
&rst
ixpk= 388, nxpk= 0, iat=1035,1050, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 30 GLN HN 30 GLN HG3 4.01 (#peak 389 #SUP 0.98 #QF 0.38)
&rst
ixpk= 389, nxpk= 0, iat= 435, 443, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 90 LEU HN 91 LYS HN 3.88 (#peak 390 #SUP 0.99 #QF 0.99)
&rst
ixpk= 390, nxpk= 0, iat=1404,1423, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 33 ASP HA 34 THR HN 3.06 (#peak 391 #SUP 0.97 #QF 0.97)
&rst
ixpk= 391, nxpk= 0, iat= 491, 501, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 118 ARG HN 119 ARG HN 3.58 (#peak 393 #SUP 1.00)
&rst
ixpk= 393, nxpk= 0, iat=1867,1891, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 119 ARG HN 120 GLN HN 3.47 (#peak 394 #SUP 0.98 #QF 0.98)
&rst
ixpk= 394, nxpk= 0, iat=1891,1915, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 119 ARG HN 119 ARG QB 3.25 (#peak 396 #SUP 1.00)
&rst
ixpk= 396, nxpk= 0, iat=1891, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2=1895,1896,
&end
#
# 118 ARG QG 119 ARG HN 4.30 (#peak 400 #SUP 0.69 #QF 0.69)
&rst
ixpk= 400, nxpk= 0, iat= -1,1891, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1874,1875,
&end
#
# 128 PRO HA 129 SER HN 3.26 (#peak 401 #SUP 0.88 #QF 0.48)
&rst
ixpk= 401, nxpk= 0, iat=2031,2035, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 86 VAL HN 87 SER HN 4.05 (#peak 402 #SUP 1.00)
&rst
ixpk= 402, nxpk= 0, iat=1352,1368, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 86 VAL HB 87 SER HN 3.77 (#peak 405 #SUP 1.00)
&rst
ixpk= 405, nxpk= 0, iat=1356,1368, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 125 GLY HN 126 SER HN 3.21 (#peak 406 #SUP 0.78 #QF 0.78)
&rst
ixpk= 406, nxpk= 0, iat=1996,2003, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 125 GLY QA 126 SER HN 2.91 (#peak 408 #SUP 1.00)
&rst
ixpk= 408, nxpk= 0, iat= -1,2003, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
igr1=1998,1999,
&end
#
# 126 SER HN 126 SER QB 3.05 (#peak 409 #SUP 0.79 #QF 0.79)
&rst
ixpk= 409, nxpk= 0, iat=2003, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr2=2007,2008,
&end
#
# 38 PHE HN 39 SER HN 3.20 (#peak 411 #SUP 0.96 #QF 0.96)
&rst
ixpk= 411, nxpk= 0, iat= 555, 575, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 39 SER HN 40 GLU HN 3.29 (#peak 412 #SUP 0.98 #QF 0.98)
&rst
ixpk= 412, nxpk= 0, iat= 575, 586, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 36 ASN HA 39 SER HN 3.76 (#peak 414 #SUP 1.00 #QF 0.81)
&rst
ixpk= 414, nxpk= 0, iat= 524, 575, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 70 TYR HN 70 TYR QD 4.11 (#peak 426 #SUP 1.00)
&rst
ixpk= 426, nxpk= 0, iat=1075, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1083,1092,
&end
#
# 69 ALA QB 70 TYR HN 3.70 (#peak 429 #SUP 1.00)
&rst
ixpk= 429, nxpk= 0, iat= -1,1075, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1069,1070,1071,
&end
#
# 92 TYR HN 93 ASN HN 4.11 (#peak 430 #SUP 0.84 #QF 0.84)
&rst
ixpk= 430, nxpk= 0, iat=1445,1466, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 70 TYR HN 71 ARG HN 3.46 (#peak 434 #SUP 1.00)
&rst
ixpk= 434, nxpk= 0, iat=1075,1096, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 67 LEU HA 71 ARG HN 4.33 (#peak 437 #SUP 0.54 #QF 0.54)
&rst
ixpk= 437, nxpk= 0, iat=1033,1096, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 71 ARG HN 71 ARG HB2 4.04 (#peak 439 #SUP 1.00 #QF 0.99)
&rst
ixpk= 439, nxpk= 0, iat=1096,1100, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 71 ARG HN 71 ARG HG2 5.06 (#peak 439 #SUP 1.00 #QF 0.99)
&rst
ixpk= 439, nxpk= 0, iat=1096,1103, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 71 ARG HN 71 ARG HB3 4.04 (#peak 440 #SUP 0.99 #QF 0.99)
&rst
ixpk= 440, nxpk= 0, iat=1096,1101, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 36 ASN HB2 36 ASN HD22 4.04 (#peak 441 #SUP 1.00)
&rst
ixpk= 441, nxpk= 0, iat= 526, 532, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 31 GLU HN 32 LYS HN 3.54 (#peak 442 #SUP 0.98 #QF 0.80)
&rst
ixpk= 442, nxpk= 0, iat= 452, 467, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 32 LYS HN 32 LYS HG2 3.79 (#peak 446 #SUP 0.98 #QF 0.98)
&rst
ixpk= 446, nxpk= 0, iat= 467, 474, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 32 LYS HN 32 LYS QD 4.13 (#peak 447 #SUP 1.00)
&rst
ixpk= 447, nxpk= 0, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 477, 478,
&end
#
# 36 ASN HB2 36 ASN HD21 4.04 (#peak 449 #SUP 1.00)
&rst
ixpk= 449, nxpk= 0, iat= 526, 531, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 73 LEU HB3 74 ASN HN 4.08 (#peak 450 #SUP 0.80 #QF 0.80)
&rst
ixpk= 450, nxpk= 0, iat=1146,1160, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 73 LEU HN 74 ASN HN 3.18 (#peak 451 #SUP 0.98 #QF 0.98)
&rst
ixpk= 451, nxpk= 0, iat=1141,1160, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 74 ASN HN 77 ASP HN 4.38 (#peak 452 #SUP 0.64 #QF 0.64)
&rst
ixpk= 452, nxpk= 0, iat=1160,1206, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 18 PHE QE 74 ASN HN 4.24 (#peak 453 #SUP 0.95 #QF 0.95)
&rst
ixpk= 453, nxpk= 0, iat= -1,1160, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 219, 223,
&end
#
# 72 TYR HA 74 ASN HN 3.89 (#peak 454 #SUP 0.87 #QF 0.87)
&rst
ixpk= 454, nxpk= 0, iat=1122,1160, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 73 LEU HB2 74 ASN HN 4.08 (#peak 460 #SUP 0.98 #QF 0.98)
&rst
ixpk= 460, nxpk= 0, iat=1145,1160, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 112 ALA QB 116 GLN HE22 5.50 (#peak 465 #SUP 0.99 #QF 0.69)
&rst
ixpk= 465, nxpk= 0, iat= -1,1853, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1775,1776,1777,
&end
#
# 116 GLN HE22 117 ALA QB 5.50 (#peak 465 #SUP 0.99 #QF 0.69)
&rst
ixpk= 465, nxpk= 0, iat=1853, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1861,1862,1863,
&end
#
# 126 SER HA 127 GLY HN 2.96 (#peak 470 #SUP 0.85 #QF 0.85)
&rst
ixpk= 470, nxpk= 0, iat=2005,2014, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 124 MET HN 125 GLY HN 3.18 (#peak 480 #SUP 0.98 #QF 0.98)
&rst
ixpk= 480, nxpk= 0, iat=1979,1996, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 124 MET HA 125 GLY HN 3.47 (#peak 481 #SUP 1.00)
&rst
ixpk= 481, nxpk= 0, iat=1981,1996, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 123 LYS HA 125 GLY HN 4.47 (#peak 482 #SUP 0.92 #QF 0.92)
&rst
ixpk= 482, nxpk= 0, iat=1959,1996, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 125 GLY HN 125 GLY QA 2.66 (#peak 483 #SUP 1.00)
&rst
ixpk= 483, nxpk= 0, iat=1996, -1, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,
igr2=1998,1999,
&end
#
# 124 MET QB 125 GLY HN 3.81 (#peak 484 #SUP 1.00)
&rst
ixpk= 484, nxpk= 0, iat= -1,1996, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1=1983,1984,
&end
#
# 18 PHE HN 18 PHE QD 4.26 (#peak 490 #SUP 1.00)
&rst
ixpk= 490, nxpk= 0, iat= 209, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 217, 225,
&end
#
# 72 TYR HB3 73 LEU HN 4.77 (#peak 492 #SUP 0.94 #QF 0.94)
&rst
ixpk= 492, nxpk= 0, iat=1125,1141, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 72 TYR HB2 73 LEU HN 4.77 (#peak 493 #SUP 1.00 #QF 0.99)
&rst
ixpk= 493, nxpk= 0, iat=1124,1141, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 55 LYS HN 55 LYS HG2 4.47 (#peak 494 #SUP 0.99 #QF 0.99)
&rst
ixpk= 494, nxpk= 0, iat= 820, 827, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 54 ILE QD1 55 LYS HN 4.02 (#peak 496 #SUP 0.99 #QF 0.99)
&rst
ixpk= 496, nxpk= 0, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 814, 815, 816,
&end
#
# 66 ASN HB3 67 LEU HN 4.44 (#peak 499 #SUP 0.97 #QF 0.94)
&rst
ixpk= 499, nxpk= 0, iat=1022,1031, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 67 LEU HN 67 LEU QD2 4.56 (#peak 500 #SUP 0.98 #QF 0.98)
&rst
ixpk= 500, nxpk= 0, iat=1031, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1044,1045,1046,
&end
#
# 67 LEU HN 72 TYR QD 4.47 (#peak 502 #SUP 0.92 #QF 0.92)
&rst
ixpk= 502, nxpk= 0, iat=1031, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1128,1137,
&end
#
# 118 ARG HA 121 ALA HN 4.05 (#peak 504 #SUP 0.99 #QF 0.99)
&rst
ixpk= 504, nxpk= 0, iat=1869,1932, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 89 CYS HG 103 ALA HN 4.25 (#peak 505 #SUP 0.66 #QF 0.66)
&rst
ixpk= 505, nxpk= 0, iat=1400,1632, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 38 PHE HZ 103 ALA HN 4.18 (#peak 507 #SUP 0.95 #QF 0.95)
&rst
ixpk= 507, nxpk= 0, iat= 567,1632, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 21 LEU HG 22 LEU HN 4.44 (#peak 509 #SUP 0.98 #QF 0.98)
&rst
ixpk= 509, nxpk= 0, iat= 274, 286, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 84 LEU HN 84 LEU HB2 3.77 (#peak 513 #SUP 1.00)
&rst
ixpk= 513, nxpk= 0, iat=1314,1318, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 83 ASN HB3 84 LEU HN 4.31 (#peak 514 #SUP 0.98 #QF 0.98)
&rst
ixpk= 514, nxpk= 0, iat=1305,1314, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 83 ASN HB2 84 LEU HN 4.25 (#peak 515 #SUP 0.97 #QF 0.97)
&rst
ixpk= 515, nxpk= 0, iat=1304,1314, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 20 ILE QG2 23 ARG HE 4.91 (#peak 518 #SUP 0.63 #QF 0.36)
&rst
ixpk= 518, nxpk= 0, iat= -1, 318, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 254, 255, 256,
&end
#
# 23 ARG QB 23 ARG HE 4.45 (#peak 521 #SUP 1.00)
&rst
ixpk= 521, nxpk= 0, iat= -1, 318, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 309, 310,
&end
#
# 59 ASP HN 62 THR HN 4.33 (#peak 527 #SUP 0.97 #QF 0.75)
&rst
ixpk= 527, nxpk= 0, iat= 895, 947, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 61 PHE QD 62 THR HN 4.85 (#peak 527 #SUP 0.97 #QF 0.75)
&rst
ixpk= 527, nxpk= 0, iat= -1, 947, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 935, 943,
&end
#
# 62 THR HN 62 THR HB 4.13 (#peak 529 #SUP 1.00)
&rst
ixpk= 529, nxpk= 0, iat= 947, 951, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 61 PHE HB3 62 THR HN 4.77 (#peak 530 #SUP 0.97 #QF 0.97)
&rst
ixpk= 530, nxpk= 0, iat= 932, 947, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 37 ILE HN 37 ILE HB 3.70 (#peak 536 #SUP 0.98 #QF 0.98)
&rst
ixpk= 536, nxpk= 0, iat= 536, 540, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 37 ILE HN 38 PHE HN 3.75 (#peak 541 #SUP 1.00)
&rst
ixpk= 541, nxpk= 0, iat= 536, 555, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 38 PHE HN 38 PHE QD 4.05 (#peak 543 #SUP 0.97 #QF 0.97)
&rst
ixpk= 543, nxpk= 0, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 563, 571,
&end
#
# 54 ILE HN 54 ILE HG12 4.89 (#peak 549 #SUP 0.94 #QF 0.94)
&rst
ixpk= 549, nxpk= 0, iat= 801, 811, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 53 HID HB3 54 ILE HN 4.69 (#peak 550 #SUP 1.00)
&rst
ixpk= 550, nxpk= 0, iat= 789, 801, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 88 ASN HN 89 CYS HN 3.97 (#peak 552 #SUP 0.99 #QF 0.99)
&rst
ixpk= 552, nxpk= 0, iat=1379,1393, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 84 LEU HA 88 ASN HN 4.44 (#peak 554 #SUP 0.75 #QF 0.75)
&rst
ixpk= 554, nxpk= 0, iat=1316,1379, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 88 ASN HN 88 ASN HB2 4.13 (#peak 557 #SUP 0.98 #QF 0.98)
&rst
ixpk= 557, nxpk= 0, iat=1379,1383, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 88 ASN HN 88 ASN HB3 4.13 (#peak 558 #SUP 0.94 #QF 0.94)
&rst
ixpk= 558, nxpk= 0, iat=1379,1384, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 84 LEU HG 88 ASN HN 5.36 (#peak 559 #SUP 0.89 #QF 0.61)
&rst
ixpk= 559, nxpk= 0, iat=1321,1379, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 86 VAL HB 88 ASN HN 5.50 (#peak 559 #SUP 0.89 #QF 0.61)
&rst
ixpk= 559, nxpk= 0, iat=1356,1379, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 86 VAL QG1 88 ASN HN 5.50 (#peak 560 #SUP 1.00)
&rst
ixpk= 560, nxpk= 0, iat= -1,1379, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1358,1359,1360,
&end
#
# 101 ARG QB 102 ALA HN 4.01 (#peak 561 #SUP 1.00)
&rst
ixpk= 561, nxpk= 0, iat= -1,1622, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1=1602,1603,
&end
#
# 99 PHE HA 102 ALA HN 4.61 (#peak 563 #SUP 0.80 #QF 0.80)
&rst
ixpk= 563, nxpk= 0, iat=1559,1622, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 18 PHE HZ 75 PHE HN 4.45 (#peak 568 #SUP 0.99 #QF 0.99)
&rst
ixpk= 568, nxpk= 0, iat= 221,1174, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 75 PHE HN 75 PHE QD 4.27 (#peak 569 #SUP 0.98 #QF 0.98)
&rst
ixpk= 569, nxpk= 0, iat=1174, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1182,1190,
&end
#
# 18 PHE QE 75 PHE HN 4.57 (#peak 571 #SUP 0.94 #QF 0.94)
&rst
ixpk= 571, nxpk= 0, iat= -1,1174, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 219, 223,
&end
#
# 81 ASP HN 82 PHE HB3 5.37 (#peak 577 #SUP 0.87 #QF 0.81)
&rst
ixpk= 577, nxpk= 0, iat=1268,1285, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 81 ASP HN 83 ASN HB2 5.50 (#peak 577 #SUP 0.87 #QF 0.81)
&rst
ixpk= 577, nxpk= 0, iat=1268,1304, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 81 ASP HN 81 ASP HB2 3.94 (#peak 578 #SUP 0.98 #QF 0.98)
&rst
ixpk= 578, nxpk= 0, iat=1268,1272, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 81 ASP HN 81 ASP HB3 3.94 (#peak 579 #SUP 0.99 #QF 0.99)
&rst
ixpk= 579, nxpk= 0, iat=1268,1273, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 63 MET QE 81 ASP HN 4.73 (#peak 583 #SUP 0.98 #QF 0.98)
&rst
ixpk= 583, nxpk= 0, iat= -1,1268, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 972, 973, 974,
&end
#
# 55 LYS HN 56 LYS HN 3.49 (#peak 584 #SUP 0.99 #QF 0.99)
&rst
ixpk= 584, nxpk= 0, iat= 820, 842, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 56 LYS HN 56 LYS HB2 3.94 (#peak 587 #SUP 0.99 #QF 0.99)
&rst
ixpk= 587, nxpk= 0, iat= 842, 846, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 56 LYS HN 56 LYS HB3 3.94 (#peak 589 #SUP 1.00)
&rst
ixpk= 589, nxpk= 0, iat= 842, 847, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 56 LYS HN 84 LEU QD2 4.98 (#peak 592 #SUP 0.98 #QF 0.98)
&rst
ixpk= 592, nxpk= 0, iat= 842, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1327,1328,1329,
&end
#
# 79 GLU HA 82 PHE HN 4.19 (#peak 594 #SUP 0.98 #QF 0.98)
&rst
ixpk= 594, nxpk= 0, iat=1240,1280, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 88 ASN HB2 89 CYS HN 4.72 (#peak 596 #SUP 0.98 #QF 0.78)
&rst
ixpk= 596, nxpk= 0, iat=1383,1393, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 89 CYS HN 90 LEU HN 3.97 (#peak 602 #SUP 1.00)
&rst
ixpk= 602, nxpk= 0, iat=1393,1404, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 23 ARG HN 23 ARG HD2 5.50 (#peak 607 #SUP 0.81 #QF 0.58)
&rst
ixpk= 607, nxpk= 0, iat= 305, 315, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 ARG HN 23 ARG HD3 5.50 (#peak 607 #SUP 0.81 #QF 0.58)
&rst
ixpk= 607, nxpk= 0, iat= 305, 316, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 LEU HB2 23 ARG HN 4.50 (#peak 608 #SUP 1.00)
&rst
ixpk= 608, nxpk= 0, iat= 290, 305, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 23 ARG HN 23 ARG HG3 4.36 (#peak 609 #SUP 0.98 #QF 0.98)
&rst
ixpk= 609, nxpk= 0, iat= 305, 313, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 22 LEU HB3 23 ARG HN 4.50 (#peak 610 #SUP 0.96 #QF 0.96)
&rst
ixpk= 610, nxpk= 0, iat= 291, 305, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 18 PHE HB2 19 LEU HN 4.49 (#peak 611 #SUP 1.00)
&rst
ixpk= 611, nxpk= 0, iat= 213, 229, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 46 GLU HN 47 VAL HN 3.22 (#peak 613 #SUP 0.96 #QF 0.96)
&rst
ixpk= 613, nxpk= 0, iat= 675, 690, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 44 LEU HA 47 VAL HN 3.79 (#peak 616 #SUP 1.00 #QF 0.96)
&rst
ixpk= 616, nxpk= 0, iat= 647, 690, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 47 VAL HN 48 PRO HD2 4.29 (#peak 616 #SUP 1.00 #QF 0.96)
&rst
ixpk= 616, nxpk= 0, iat= 690, 707, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 47 VAL HN 48 PRO HD3 4.29 (#peak 617 #SUP 0.99 #QF 0.99)
&rst
ixpk= 617, nxpk= 0, iat= 690, 708, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 47 VAL HN 47 VAL HB 3.78 (#peak 619 #SUP 0.92 #QF 0.86)
&rst
ixpk= 619, nxpk= 0, iat= 690, 694, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 107 ARG HB2 107 ARG HE 4.12 (#peak 619 #SUP 0.92 #QF 0.86)
&rst
ixpk= 619, nxpk= 0, iat=1705,1714, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 47 VAL HN 47 VAL QG1 4.20 (#peak 620 #SUP 1.00)
&rst
ixpk= 620, nxpk= 0, iat= 690, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 696, 697, 698,
&end
#
# 86 VAL QG1 107 ARG HE 3.95 (#peak 621 #SUP 1.00)
&rst
ixpk= 621, nxpk= 0, iat= -1,1714, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1=1358,1359,1360,
&end
#
# 103 ALA HN 104 VAL HN 3.69 (#peak 625 #SUP 1.00)
&rst
ixpk= 625, nxpk= 0, iat=1632,1642, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 97 THR HB 98 ILE HN 4.10 (#peak 630 #SUP 0.99 #QF 0.99)
&rst
ixpk= 630, nxpk= 0, iat=1528,1538, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 62 THR QG2 66 ASN HN 4.58 (#peak 631 #SUP 0.97 #QF 0.97)
&rst
ixpk= 631, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 953, 954, 955,
&end
#
# 66 ASN HN 72 TYR QE 4.91 (#peak 632 #SUP 0.95 #QF 0.95)
&rst
ixpk= 632, nxpk= 0, iat=1017, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=1130,1135,
&end
#
# 29 LEU QD1 113 VAL HN 4.37 (#peak 633 #SUP 0.99 #QF 0.99)
&rst
ixpk= 633, nxpk= 0, iat= -1,1781, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 425, 426, 427,
&end
#
# 108 GLU HN 109 GLN HN 3.88 (#peak 636 #SUP 1.00)
&rst
ixpk= 636, nxpk= 0, iat=1725,1740, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 44 LEU HA 46 GLU HN 4.86 (#peak 640 #SUP 1.00 #QF 0.96)
&rst
ixpk= 640, nxpk= 0, iat= 647, 675, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 45 SER HB3 46 GLU HN 5.19 (#peak 640 #SUP 1.00 #QF 0.96)
&rst
ixpk= 640, nxpk= 0, iat= 669, 675, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 43 PRO HB2 46 GLU HN 4.03 (#peak 642 #SUP 1.00 #QF 0.88)
&rst
ixpk= 642, nxpk= 0, iat= 638, 675, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 35 GLY HN 36 ASN HN 3.55 (#peak 643 #SUP 0.96 #QF 0.96)
&rst
ixpk= 643, nxpk= 0, iat= 515, 522, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 36 ASN HN 37 ILE HN 3.79 (#peak 644 #SUP 0.92 #QF 0.92)
&rst
ixpk= 644, nxpk= 0, iat= 522, 536, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 60 PHE HN 60 PHE QD 4.95 (#peak 656 #SUP 1.00 #QF 0.99)
&rst
ixpk= 656, nxpk= 0, iat= 907, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 915, 923,
&end
#
# 59 ASP HN 85 ILE QD1 4.50 (#peak 658 #SUP 0.97 #QF 0.97)
&rst
ixpk= 658, nxpk= 0, iat= 895, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1346,1347,1348,
&end
#
# 90 LEU HB2 91 LYS HN 4.83 (#peak 659 #SUP 0.90 #QF 0.84)
&rst
ixpk= 659, nxpk= 0, iat=1408,1423, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 91 LYS HN 91 LYS HG2 4.59 (#peak 660 #SUP 1.00)
&rst
ixpk= 660, nxpk= 0, iat=1423,1430, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 90 LEU HB3 91 LYS HN 4.83 (#peak 661 #SUP 1.00 #QF 0.93)
&rst
ixpk= 661, nxpk= 0, iat=1409,1423, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 90 LEU HN 90 LEU QD1 4.18 (#peak 664 #SUP 1.00)
&rst
ixpk= 664, nxpk= 0, iat=1404, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1413,1414,1415,
&end
#
# 90 LEU HN 90 LEU HG 3.55 (#peak 666 #SUP 0.99 #QF 0.73)
&rst
ixpk= 666, nxpk= 0, iat=1404,1411, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 87 SER HA 90 LEU HN 4.33 (#peak 667 #SUP 0.65 #QF 0.65)
&rst
ixpk= 667, nxpk= 0, iat=1370,1404, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 33 ASP HB2 34 THR HN 4.57 (#peak 675 #SUP 0.97 #QF 0.97)
&rst
ixpk= 675, nxpk= 0, iat= 493, 501, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 130 SER HA 131 GLY HN 3.28 (#peak 676 #SUP 0.70 #QF 0.70)
&rst
ixpk= 676, nxpk= 0, iat=2048,2057, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 34 THR HN 35 GLY HN 3.41 (#peak 679 #SUP 0.98 #QF 0.98)
&rst
ixpk= 679, nxpk= 0, iat= 501, 515, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 128 PRO HB2 129 SER HN 4.66 (#peak 682 #SUP 0.99 #QF 0.99)
&rst
ixpk= 682, nxpk= 0, iat=2028,2035, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 128 PRO HB3 129 SER HN 4.66 (#peak 683 #SUP 0.99 #QF 0.99)
&rst
ixpk= 683, nxpk= 0, iat=2029,2035, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 128 PRO QG 129 SER HN 5.00 (#peak 683 #SUP 0.99 #QF 0.99)
&rst
ixpk= 683, nxpk= 0, iat= -1,2035, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2025,2026,
&end
#
# 48 PRO HD2 49 ASP HN 4.50 (#peak 690 #SUP 0.99 #QF 0.99)
&rst
ixpk= 690, nxpk= 0, iat= 707, 720, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 53 HID HN 54 ILE HN 3.63 (#peak 698 #SUP 0.99 #QF 0.99)
&rst
ixpk= 698, nxpk= 0, iat= 784, 801, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 53 HID HN 53 HIS HD2 4.29 (#peak 699 #SUP 0.99 #QF 0.96)
&rst
ixpk= 699, nxpk= 0, iat= 784, 797, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 86 VAL HN 86 VAL HB 3.73 (#peak 704 #SUP 1.00)
&rst
ixpk= 704, nxpk= 0, iat=1352,1356, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 85 ILE HB 86 VAL HN 3.96 (#peak 705 #SUP 0.99 #QF 0.99)
&rst
ixpk= 705, nxpk= 0, iat=1337,1352, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 85 ILE QG2 86 VAL HN 4.21 (#peak 708 #SUP 1.00)
&rst
ixpk= 708, nxpk= 0, iat= -1,1352, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1339,1340,1341,
&end
#
# 85 ILE QD1 86 VAL HN 4.52 (#peak 709 #SUP 1.00)
&rst
ixpk= 709, nxpk= 0, iat= -1,1352, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1346,1347,1348,
&end
#
# 85 ILE HN 86 VAL HN 3.99 (#peak 710 #SUP 0.98 #QF 0.98)
&rst
ixpk= 710, nxpk= 0, iat=1333,1352, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 37 ILE HN 39 SER HN 4.10 (#peak 712 #SUP 0.98 #QF 0.98)
&rst
ixpk= 712, nxpk= 0, iat= 536, 575, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 38 PHE HB2 39 SER HN 4.39 (#peak 713 #SUP 0.86 #QF 0.86)
&rst
ixpk= 713, nxpk= 0, iat= 559, 575, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 38 PHE HB3 39 SER HN 4.39 (#peak 714 #SUP 1.00)
&rst
ixpk= 714, nxpk= 0, iat= 560, 575, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 70 TYR HN 70 TYR HB2 4.14 (#peak 717 #SUP 1.00)
&rst
ixpk= 717, nxpk= 0, iat=1075,1079, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 70 TYR HN 70 TYR HB3 4.14 (#peak 718 #SUP 1.00)
&rst
ixpk= 718, nxpk= 0, iat=1075,1080, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 93 ASN HN 93 ASN HB3 4.15 (#peak 719 #SUP 0.88 #QF 0.88)
&rst
ixpk= 719, nxpk= 0, iat=1466,1471, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 19 LEU QD2 70 TYR HN 5.32 (#peak 720 #SUP 0.99 #QF 0.29)
&rst
ixpk= 720, nxpk= 0, iat= -1,1075, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 242, 243, 244,
&end
#
# 67 LEU QD2 70 TYR HN 5.20 (#peak 720 #SUP 0.99 #QF 0.29)
&rst
ixpk= 720, nxpk= 0, iat= -1,1075, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1=1044,1045,1046,
&end
#
# 50 TYR HN 51 LEU HN 3.95 (#peak 722 #SUP 0.94 #QF 0.94)
&rst
ixpk= 722, nxpk= 0, iat= 732, 753, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 50 TYR HB2 51 LEU HN 4.60 (#peak 723 #SUP 1.00)
&rst
ixpk= 723, nxpk= 0, iat= 736, 753, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 50 TYR HB3 51 LEU HN 4.19 (#peak 724 #SUP 0.95 #QF 0.95)
&rst
ixpk= 724, nxpk= 0, iat= 737, 753, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 51 LEU HN 51 LEU HG 3.48 (#peak 725 #SUP 0.98 #QF 0.98)
&rst
ixpk= 725, nxpk= 0, iat= 753, 760, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 51 LEU HN 51 LEU QD1 4.11 (#peak 727 #SUP 1.00)
&rst
ixpk= 727, nxpk= 0, iat= 753, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 762, 763, 764,
&end
#
# 72 TYR QD 74 ASN HN 4.92 (#peak 731 #SUP 0.98 #QF 0.98)
&rst
ixpk= 731, nxpk= 0, iat= -1,1160, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1128,1137,
&end
#
# 116 GLN HE21 117 ALA QB 4.33 (#peak 738 #SUP 0.96 #QF 0.96)
&rst
ixpk= 738, nxpk= 0, iat=1852, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1861,1862,1863,
&end
#
# 21 LEU QD2 120 GLN HE21 4.58 (#peak 744 #SUP 0.98 #QF 0.98)
&rst
ixpk= 744, nxpk= 0, iat= -1,1927, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 280, 281, 282,
&end
#
# 21 LEU QD2 120 GLN HE22 4.58 (#peak 745 #SUP 1.00 #QF 0.99)
&rst
ixpk= 745, nxpk= 0, iat= -1,1928, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 280, 281, 282,
&end
#
# 113 VAL QG1 116 GLN HE22 4.92 (#peak 745 #SUP 1.00 #QF 0.99)
&rst
ixpk= 745, nxpk= 0, iat= -1,1853, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1=1787,1788,1789,
&end
#
# 45 SER HN 47 VAL HN 4.00 (#peak 750 #SUP 1.00)
&rst
ixpk= 750, nxpk= 0, iat= 664, 690, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 45 SER HN 46 GLU HN 3.52 (#peak 751 #SUP 0.99 #QF 0.99)
&rst
ixpk= 751, nxpk= 0, iat= 664, 675, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 45 SER HN 45 SER HB2 3.70 (#peak 753 #SUP 0.96 #QF 0.96)
&rst
ixpk= 753, nxpk= 0, iat= 664, 668, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 45 SER HN 46 GLU HG2 4.45 (#peak 755 #SUP 0.75 #QF 0.75)
&rst
ixpk= 755, nxpk= 0, iat= 664, 682, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 43 PRO HB3 45 SER HN 4.63 (#peak 756 #SUP 0.99 #QF 0.99)
&rst
ixpk= 756, nxpk= 0, iat= 639, 664, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 43 PRO HB2 45 SER HN 3.88 (#peak 757 #SUP 0.96 #QF 0.96)
&rst
ixpk= 757, nxpk= 0, iat= 638, 664, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 44 LEU HB2 45 SER HN 3.85 (#peak 758 #SUP 0.99 #QF 0.99)
&rst
ixpk= 758, nxpk= 0, iat= 649, 664, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 44 LEU HB3 45 SER HN 4.26 (#peak 759 #SUP 1.00)
&rst
ixpk= 759, nxpk= 0, iat= 650, 664, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 44 LEU QD1 45 SER HN 5.07 (#peak 760 #SUP 1.00)
&rst
ixpk= 760, nxpk= 0, iat= -1, 664, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 654, 655, 656,
&end
#
# 44 LEU QD2 45 SER HN 5.00 (#peak 761 #SUP 0.99 #QF 0.99)
&rst
ixpk= 761, nxpk= 0, iat= -1, 664, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 658, 659, 660,
&end
#
# 44 LEU HN 44 LEU QD2 3.96 (#peak 771 #SUP 0.99 #QF 0.99)
&rst
ixpk= 771, nxpk= 0, iat= 645, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 658, 659, 660,
&end
#
# 44 LEU HN 44 LEU HB2 3.77 (#peak 774 #SUP 0.98 #QF 0.98)
&rst
ixpk= 774, nxpk= 0, iat= 645, 649, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 13 SER HA 14 GLY HN 3.49 (#peak 778 #SUP 0.96 #QF 0.96)
&rst
ixpk= 778, nxpk= 0, iat= 164, 173, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 13 SER QB 14 GLY HN 4.51 (#peak 780 #SUP 1.00)
&rst
ixpk= 780, nxpk= 0, iat= -1, 173, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 166, 167,
&end
#
# 79 GLU QG 83 ASN HD21 4.36 (#peak 783 #SUP 1.00)
&rst
ixpk= 783, nxpk= 0, iat= -1,1309, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=1245,1246,
&end
#
# 79 GLU QG 83 ASN HD22 4.73 (#peak 784 #SUP 0.87 #QF 0.87)
&rst
ixpk= 784, nxpk= 0, iat= -1,1310, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1245,1246,
&end
#
# 126 SER QB 127 GLY HN 3.68 (#peak 785 #SUP 0.96 #QF 0.96)
&rst
ixpk= 785, nxpk= 0, iat= -1,2014, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1=2007,2008,
&end
#
# 42 VAL HN 42 VAL HB 3.85 (#peak 790 #SUP 1.00)
&rst
ixpk= 790, nxpk= 0, iat= 615, 619, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 33 ASP HA 35 GLY HN 4.20 (#peak 799 #SUP 0.93 #QF 0.93)
&rst
ixpk= 799, nxpk= 0, iat= 491, 515, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 35 GLY HN 36 ASN HA 5.14 (#peak 800 #SUP 0.83 #QF 0.83)
&rst
ixpk= 800, nxpk= 0, iat= 515, 524, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 110 GLY HN 111 GLY HN 3.68 (#peak 807 #SUP 0.83 #QF 0.83)
&rst
ixpk= 807, nxpk= 0, iat=1757,1764, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 82 PHE HZ 111 GLY HN 5.12 (#peak 809 #SUP 0.82 #QF 0.57)
&rst
ixpk= 809, nxpk= 0, iat=1292,1764, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 111 GLY HN 113 VAL HN 5.40 (#peak 809 #SUP 0.82 #QF 0.57)
&rst
ixpk= 809, nxpk= 0, iat=1764,1781, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 97 THR HN 97 THR HG1 3.80 (#peak 810 #SUP 0.94 #QF 0.94)
&rst
ixpk= 810, nxpk= 0, iat=1524,1534, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 97 THR HN 100 TYR HB2 4.51 (#peak 812 #SUP 0.83 #QF 0.83)
&rst
ixpk= 812, nxpk= 0, iat=1524,1581, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 97 THR HN 100 TYR HB3 4.51 (#peak 813 #SUP 0.96 #QF 0.96)
&rst
ixpk= 813, nxpk= 0, iat=1524,1582, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 17 GLY HN 18 PHE HN 3.88 (#peak 815 #SUP 0.98 #QF 0.98)
&rst
ixpk= 815, nxpk= 0, iat= 202, 209, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 84 LEU HA 87 SER HN 4.21 (#peak 819 #SUP 0.65 #QF 0.65)
&rst
ixpk= 819, nxpk= 0, iat=1316,1368, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 15 SER HN 15 SER HB2 3.78 (#peak 824 #SUP 0.88 #QF 0.88)
&rst
ixpk= 824, nxpk= 0, iat= 180, 184, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 14 GLY QA 15 SER HN 3.08 (#peak 825 #SUP 1.00)
&rst
ixpk= 825, nxpk= 0, iat= -1, 180, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr1= 175, 176,
&end
#
# 18 PHE QD 19 LEU HN 4.40 (#peak 829 #SUP 1.00)
&rst
ixpk= 829, nxpk= 0, iat= -1, 229, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 217, 225,
&end
#
# 24 LYS HN 24 LYS QG 3.81 (#peak 832 #SUP 0.94 #QF 0.94)
&rst
ixpk= 832, nxpk= 0, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 336, 337,
&end
#
# 20 ILE QG2 24 LYS HN 4.25 (#peak 833 #SUP 1.00)
&rst
ixpk= 833, nxpk= 0, iat= -1, 329, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 254, 255, 256,
&end
#
# 23 ARG HN 24 LYS HN 3.82 (#peak 834 #SUP 0.99 #QF 0.99)
&rst
ixpk= 834, nxpk= 0, iat= 305, 329, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 21 LEU HA 24 LYS HN 4.25 (#peak 836 #SUP 0.99 #QF 0.99)
&rst
ixpk= 836, nxpk= 0, iat= 269, 329, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 28 GLN HN 113 VAL QG1 4.45 (#peak 837 #SUP 1.00)
&rst
ixpk= 837, nxpk= 0, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1787,1788,1789,
&end
#
# 29 LEU HN 29 LEU QD2 4.09 (#peak 839 #SUP 1.00)
&rst
ixpk= 839, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 429, 430, 431,
&end
#
# 31 GLU HA 33 ASP HN 4.51 (#peak 842 #SUP 0.71 #QF 0.71)
&rst
ixpk= 842, nxpk= 0, iat= 454, 489, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 33 ASP HB3 34 THR HN 4.57 (#peak 843 #SUP 0.97 #QF 0.97)
&rst
ixpk= 843, nxpk= 0, iat= 494, 501, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 34 THR HN 36 ASN HN 4.02 (#peak 845 #SUP 0.87 #QF 0.87)
&rst
ixpk= 845, nxpk= 0, iat= 501, 522, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 37 ILE HA 39 SER HN 4.65 (#peak 846 #SUP 1.00)
&rst
ixpk= 846, nxpk= 0, iat= 538, 575, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 44 LEU HN 45 SER HN 3.46 (#peak 849 #SUP 0.99 #QF 0.99)
&rst
ixpk= 849, nxpk= 0, iat= 645, 664, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 44 LEU QD2 47 VAL HN 4.52 (#peak 852 #SUP 0.95 #QF 0.95)
&rst
ixpk= 852, nxpk= 0, iat= -1, 690, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 658, 659, 660,
&end
#
# 47 VAL HA 50 TYR HN 5.50 (#peak 853 #SUP 0.99 #QF 0.90)
&rst
ixpk= 853, nxpk= 0, iat= 692, 732, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 TYR HN 51 LEU HA 5.50 (#peak 853 #SUP 0.99 #QF 0.90)
&rst
ixpk= 853, nxpk= 0, iat= 732, 755, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 TYR HN 50 TYR HB2 3.74 (#peak 855 #SUP 0.95 #QF 0.95)
&rst
ixpk= 855, nxpk= 0, iat= 732, 736, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 50 TYR HN 50 TYR HB3 3.94 (#peak 856 #SUP 1.00)
&rst
ixpk= 856, nxpk= 0, iat= 732, 737, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 47 VAL HB 50 TYR HN 5.08 (#peak 857 #SUP 0.89 #QF 0.54)
&rst
ixpk= 857, nxpk= 0, iat= 694, 732, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 50 TYR HN 51 LEU HG 5.29 (#peak 857 #SUP 0.89 #QF 0.54)
&rst
ixpk= 857, nxpk= 0, iat= 732, 760, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 52 ASP HB2 53 HID HN 4.69 (#peak 863 #SUP 0.98 #QF 0.98)
&rst
ixpk= 863, nxpk= 0, iat= 776, 784, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 53 HID HB2 54 ILE HN 4.69 (#peak 864 #SUP 0.97 #QF 0.93)
&rst
ixpk= 864, nxpk= 0, iat= 788, 801, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 54 ILE QG2 58 MET HN 4.68 (#peak 866 #SUP 0.99 #QF 0.99)
&rst
ixpk= 866, nxpk= 0, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 807, 808, 809,
&end
#
# 58 MET HN 88 ASN HD21 4.59 (#peak 871 #SUP 0.96 #QF 0.96)
&rst
ixpk= 871, nxpk= 0, iat= 878,1388, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 58 MET HN 88 ASN HD22 4.59 (#peak 872 #SUP 0.98 #QF 0.98)
&rst
ixpk= 872, nxpk= 0, iat= 878,1389, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 22 LEU QD1 72 TYR HN 4.80 (#peak 873 #SUP 0.97 #QF 0.97)
&rst
ixpk= 873, nxpk= 0, iat= -1,1120, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 295, 296, 297,
&end
#
# 61 PHE HN 62 THR HN 3.69 (#peak 874 #SUP 0.96 #QF 0.96)
&rst
ixpk= 874, nxpk= 0, iat= 927, 947, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 60 PHE HN 61 PHE HN 3.99 (#peak 875 #SUP 0.93 #QF 0.93)
&rst
ixpk= 875, nxpk= 0, iat= 907, 927, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 61 PHE HN 61 PHE QD 4.31 (#peak 876 #SUP 0.99 #QF 0.99)
&rst
ixpk= 876, nxpk= 0, iat= 927, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 935, 943,
&end
#
# 61 PHE HN 61 PHE HB2 3.75 (#peak 878 #SUP 0.97 #QF 0.97)
&rst
ixpk= 878, nxpk= 0, iat= 927, 931, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 61 PHE HN 61 PHE HB3 3.75 (#peak 879 #SUP 0.99 #QF 0.99)
&rst
ixpk= 879, nxpk= 0, iat= 927, 932, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 63 MET HN 64 LYS HN 3.79 (#peak 884 #SUP 0.98 #QF 0.98)
&rst
ixpk= 884, nxpk= 0, iat= 961, 978, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 62 THR QG2 65 GLN HN 4.91 (#peak 885 #SUP 1.00)
&rst
ixpk= 885, nxpk= 0, iat= -1,1000, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 953, 954, 955,
&end
#
# 68 GLU HB2 69 ALA HN 4.58 (#peak 889 #SUP 0.99 #QF 0.99)
&rst
ixpk= 889, nxpk= 0, iat=1054,1065, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 67 LEU HN 69 ALA HN 4.76 (#peak 891 #SUP 0.85 #QF 0.85)
&rst
ixpk= 891, nxpk= 0, iat=1031,1065, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 70 TYR QD 71 ARG HN 5.10 (#peak 892 #SUP 1.00)
&rst
ixpk= 892, nxpk= 0, iat= -1,1096, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1083,1092,
&end
#
# 69 ALA QB 71 ARG HN 3.81 (#peak 893 #SUP 0.97 #QF 0.97)
&rst
ixpk= 893, nxpk= 0, iat= -1,1096, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1069,1070,1071,
&end
#
# 19 LEU QD2 71 ARG HN 5.50 (#peak 894 #SUP 0.91 #QF 0.42)
&rst
ixpk= 894, nxpk= 0, iat= -1,1096, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 242, 243, 244,
&end
#
# 71 ARG HN 73 LEU QD2 5.50 (#peak 894 #SUP 0.91 #QF 0.42)
&rst
ixpk= 894, nxpk= 0, iat=1096, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1154,1155,1156,
&end
#
# 70 TYR HB2 71 ARG HN 4.58 (#peak 895 #SUP 1.00)
&rst
ixpk= 895, nxpk= 0, iat=1079,1096, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 66 ASN HB3 71 ARG HN 4.47 (#peak 896 #SUP 0.75 #QF 0.75)
&rst
ixpk= 896, nxpk= 0, iat=1022,1096, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 70 TYR HB3 71 ARG HN 4.58 (#peak 897 #SUP 1.00)
&rst
ixpk= 897, nxpk= 0, iat=1080,1096, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 72 TYR HN 73 LEU HN 4.48 (#peak 898 #SUP 0.98 #QF 0.98)
&rst
ixpk= 898, nxpk= 0, iat=1120,1141, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 19 LEU QD2 72 TYR HN 5.00 (#peak 899 #SUP 0.88 #QF 0.41)
&rst
ixpk= 899, nxpk= 0, iat= -1,1120, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 242, 243, 244,
&end
#
# 73 LEU QD2 74 ASN HN 4.71 (#peak 903 #SUP 1.00)
&rst
ixpk= 903, nxpk= 0, iat= -1,1160, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1154,1155,1156,
&end
#
# 18 PHE HZ 74 ASN HN 4.76 (#peak 904 #SUP 0.98 #QF 0.98)
&rst
ixpk= 904, nxpk= 0, iat= 221,1160, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 74 ASN HN 75 PHE HN 4.67 (#peak 905 #SUP 0.82 #QF 0.82)
&rst
ixpk= 905, nxpk= 0, iat=1160,1174, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 75 PHE HN 121 ALA QB 4.72 (#peak 907 #SUP 0.96 #QF 0.96)
&rst
ixpk= 907, nxpk= 0, iat=1174, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1936,1937,1938,
&end
#
# 82 PHE QD 83 ASN HN 4.02 (#peak 915 #SUP 0.87 #QF 0.87)
&rst
ixpk= 915, nxpk= 0, iat= -1,1300, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1=1288,1296,
&end
#
# 80 GLU HA 83 ASN HN 4.19 (#peak 916 #SUP 0.99 #QF 0.99)
&rst
ixpk= 916, nxpk= 0, iat=1255,1300, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 83 ASN HN 83 ASN HB2 3.68 (#peak 918 #SUP 0.99 #QF 0.95)
&rst
ixpk= 918, nxpk= 0, iat=1300,1304, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 82 PHE HB2 83 ASN HN 4.18 (#peak 919 #SUP 0.99 #QF 0.99)
&rst
ixpk= 919, nxpk= 0, iat=1284,1300, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 83 ASN HN 83 ASN HB3 4.10 (#peak 920 #SUP 1.00)
&rst
ixpk= 920, nxpk= 0, iat=1300,1305, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 89 CYS HN 90 LEU HG 4.70 (#peak 923 #SUP 1.00 #QF 0.79)
&rst
ixpk= 923, nxpk= 0, iat=1393,1411, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 89 CYS HN 89 CYS HG 5.50 (#peak 924 #SUP 1.00 #QF 0.97)
&rst
ixpk= 924, nxpk= 0, iat=1393,1400, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 89 CYS HN 91 LYS QB 5.50 (#peak 924 #SUP 1.00 #QF 0.97)
&rst
ixpk= 924, nxpk= 0, iat=1393, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1427,1428,
&end
#
# 88 ASN HB3 89 CYS HN 4.72 (#peak 925 #SUP 1.00)
&rst
ixpk= 925, nxpk= 0, iat=1384,1393, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 104 VAL HN 104 VAL HB 3.51 (#peak 929 #SUP 1.00)
&rst
ixpk= 929, nxpk= 0, iat=1642,1646, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 103 ALA HA 106 LEU HN 4.31 (#peak 931 #SUP 0.88 #QF 0.88)
&rst
ixpk= 931, nxpk= 0, iat=1634,1682, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 106 LEU HA 108 GLU HN 4.81 (#peak 932 #SUP 1.00)
&rst
ixpk= 932, nxpk= 0, iat=1684,1725, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 109 GLN HN 109 GLN HB3 4.05 (#peak 936 #SUP 1.00)
&rst
ixpk= 936, nxpk= 0, iat=1740,1745, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 109 GLN HN 109 GLN HB2 4.05 (#peak 937 #SUP 0.98 #QF 0.98)
&rst
ixpk= 937, nxpk= 0, iat=1740,1744, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 113 VAL HA 116 GLN HN 4.41 (#peak 939 #SUP 1.00)
&rst
ixpk= 939, nxpk= 0, iat=1783,1840, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 118 ARG HN 118 ARG QG 4.22 (#peak 940 #SUP 0.98 #QF 0.98)
&rst
ixpk= 940, nxpk= 0, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1874,1875,
&end
#
# 51 LEU QD2 52 ASP HN 5.12 (#peak 941 #SUP 0.98 #QF 0.97)
&rst
ixpk= 941, nxpk= 0, iat= -1, 772, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 766, 767, 768,
&end
#
# 123 LYS HN 125 GLY HN 4.28 (#peak 942 #SUP 0.88 #QF 0.88)
&rst
ixpk= 942, nxpk= 0, iat=1957,1996, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 124 MET HG3 125 GLY HN 4.79 (#peak 943 #SUP 0.99 #QF 0.99)
&rst
ixpk= 943, nxpk= 0, iat=1987,1996, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 18 PHE HN 21 LEU QD1 4.59 (#peak 946 #SUP 0.98 #QF 0.98)
&rst
ixpk= 946, nxpk= 0, iat= 209, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 276, 277, 278,
&end
#
# 18 PHE HN 19 LEU HG 4.76 (#peak 947 #SUP 0.88 #QF 0.88)
&rst
ixpk= 947, nxpk= 0, iat= 209, 236, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 123 LYS QD 124 MET HN 5.08 (#peak 952 #SUP 1.00)
&rst
ixpk= 952, nxpk= 0, iat= -1,1979, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1967,1968,
&end
#
# 33 ASP HN 34 THR HN 4.51 (#peak 956 #SUP 1.00)
&rst
ixpk= 956, nxpk= 0, iat= 489, 501, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 36 ASN HN 38 PHE HN 5.03 (#peak 958 #SUP 0.98 #QF 0.91)
&rst
ixpk= 958, nxpk= 0, iat= 522, 555, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 38 PHE HN 40 GLU HN 5.30 (#peak 958 #SUP 0.98 #QF 0.91)
&rst
ixpk= 958, nxpk= 0, iat= 555, 586, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 37 ILE HN 38 PHE QD 4.99 (#peak 960 #SUP 0.98 #QF 0.78)
&rst
ixpk= 960, nxpk= 0, iat= 536, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 563, 571,
&end
#
# 43 PRO HB2 44 LEU HN 3.95 (#peak 962 #SUP 0.98 #QF 0.98)
&rst
ixpk= 962, nxpk= 0, iat= 638, 645, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 43 PRO HA 45 SER HN 3.87 (#peak 963 #SUP 0.99 #QF 0.99)
&rst
ixpk= 963, nxpk= 0, iat= 641, 664, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 44 LEU HG 45 SER HN 4.54 (#peak 964 #SUP 1.00)
&rst
ixpk= 964, nxpk= 0, iat= 652, 664, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 60 PHE HN 85 ILE QG2 4.51 (#peak 968 #SUP 0.86 #QF 0.86)
&rst
ixpk= 968, nxpk= 0, iat= 907, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1339,1340,1341,
&end
#
# 63 MET HN 63 MET HB3 4.11 (#peak 970 #SUP 0.99 #QF 0.99)
&rst
ixpk= 970, nxpk= 0, iat= 961, 966, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 63 MET QE 64 LYS HN 4.89 (#peak 971 #SUP 0.98 #QF 0.98)
&rst
ixpk= 971, nxpk= 0, iat= -1, 978, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 972, 973, 974,
&end
#
# 65 GLN HN 65 GLN HB2 4.18 (#peak 974 #SUP 0.99 #QF 0.99)
&rst
ixpk= 974, nxpk= 0, iat=1000,1004, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 26 LEU QD2 67 LEU HN 4.87 (#peak 979 #SUP 0.86 #QF 0.86)
&rst
ixpk= 979, nxpk= 0, iat= -1,1031, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 378, 379, 380,
&end
#
# 67 LEU HN 67 LEU QD1 4.74 (#peak 980 #SUP 1.00)
&rst
ixpk= 980, nxpk= 0, iat=1031, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1040,1041,1042,
&end
#
# 67 LEU QD2 69 ALA HN 4.79 (#peak 981 #SUP 0.99 #QF 0.99)
&rst
ixpk= 981, nxpk= 0, iat= -1,1065, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1044,1045,1046,
&end
#
# 92 TYR QD 93 ASN HN 5.48 (#peak 982 #SUP 1.00 #QF 0.99)
&rst
ixpk= 982, nxpk= 0, iat= -1,1466, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1=1453,1462,
&end
#
# 67 LEU HA 72 TYR HN 4.70 (#peak 983 #SUP 0.94 #QF 0.89)
&rst
ixpk= 983, nxpk= 0, iat=1033,1120, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 76 ASP HN 77 ASP HN 3.63 (#peak 987 #SUP 0.70 #QF 0.70)
&rst
ixpk= 987, nxpk= 0, iat=1194,1206, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 76 ASP HB2 77 ASP HN 4.15 (#peak 988 #SUP 0.89 #QF 0.65)
&rst
ixpk= 988, nxpk= 0, iat=1198,1206, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 76 ASP HB3 77 ASP HN 4.15 (#peak 988 #SUP 0.89 #QF 0.65)
&rst
ixpk= 988, nxpk= 0, iat=1199,1206, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 93 ASN HN 94 ALA QB 5.50 (#peak 990 #SUP 0.99 #QF 0.34)
&rst
ixpk= 990, nxpk= 0, iat=1466, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1484,1485,1486,
&end
#
# 97 THR HN 98 ILE HN 4.72 (#peak 992 #SUP 1.00)
&rst
ixpk= 992, nxpk= 0, iat=1524,1538, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 95 LYS HN 97 THR HN 4.96 (#peak 993 #SUP 0.89 #QF 0.89)
&rst
ixpk= 993, nxpk= 0, iat=1490,1524, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 94 ALA QB 97 THR HN 4.41 (#peak 994 #SUP 0.98 #QF 0.98)
&rst
ixpk= 994, nxpk= 0, iat= -1,1524, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1484,1485,1486,
&end
#
# 97 THR HG1 100 TYR HN 4.77 (#peak 997 #SUP 0.84 #QF 0.84)
&rst
ixpk= 997, nxpk= 0, iat=1534,1577, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 105 ARG HA 109 GLN HN 4.46 (#peak 1001 #SUP 1.00 #QF 0.98)
&rst
ixpk= 1001, nxpk= 0, iat=1660,1740, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 113 VAL QG2 116 GLN HE21 4.76 (#peak 1004 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1004, nxpk= 0, iat= -1,1852, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1791,1792,1793,
&end
#
# 113 VAL HB 116 GLN HE21 4.62 (#peak 1005 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1005, nxpk= 0, iat=1785,1852, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 113 VAL HA 116 GLN HE21 4.68 (#peak 1006 #SUP 1.00)
&rst
ixpk= 1006, nxpk= 0, iat=1783,1852, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 117 ALA HN 119 ARG HN 4.45 (#peak 1009 #SUP 0.88 #QF 0.88)
&rst
ixpk= 1009, nxpk= 0, iat=1857,1891, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 122 GLU HN 124 MET HN 4.43 (#peak 1012 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1012, nxpk= 0, iat=1942,1979, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 124 MET HG2 125 GLY HN 4.79 (#peak 1013 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1013, nxpk= 0, iat=1986,1996, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 61 PHE HA 65 GLN HN 5.02 (#peak 1015 #SUP 1.00 #QF 0.96)
&rst
ixpk= 1015, nxpk= 0, iat= 929,1000, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 63 MET HA 65 GLN HN 5.42 (#peak 1015 #SUP 1.00 #QF 0.96)
&rst
ixpk= 1015, nxpk= 0, iat= 963,1000, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 124 MET QB 126 SER HN 4.85 (#peak 1016 #SUP 0.86 #QF 0.86)
&rst
ixpk= 1016, nxpk= 0, iat= -1,2003, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=1983,1984,
&end
#
# 64 LYS HA 68 GLU HN 4.13 (#peak 1017 #SUP 0.51 #QF 0.51)
&rst
ixpk= 1017, nxpk= 0, iat= 980,1050, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 93 ASN HN 93 ASN HB2 4.15 (#peak 1018 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1018, nxpk= 0, iat=1466,1470, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 88 ASN HN 90 LEU HN 4.49 (#peak 1019 #SUP 0.82 #QF 0.82)
&rst
ixpk= 1019, nxpk= 0, iat=1379,1404, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 88 ASN HN 88 ASN HD22 4.84 (#peak 1020 #SUP 0.85 #QF 0.85)
&rst
ixpk= 1020, nxpk= 0, iat=1379,1389, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 88 ASN HN 88 ASN HD21 4.84 (#peak 1021 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1021, nxpk= 0, iat=1379,1388, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 88 ASN HN 91 LYS QB 4.84 (#peak 1022 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1022, nxpk= 0, iat=1379, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1427,1428,
&end
#
# 116 GLN HB2 116 GLN HE21 4.90 (#peak 1023 #SUP 1.00)
&rst
ixpk= 1023, nxpk= 0, iat=1844,1852, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 89 CYS HN 91 LYS HN 4.56 (#peak 1024 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1024, nxpk= 0, iat=1393,1423, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 86 VAL QG1 90 LEU HN 4.62 (#peak 1025 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1025, nxpk= 0, iat= -1,1404, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1=1358,1359,1360,
&end
#
# 89 CYS HG 90 LEU HN 5.37 (#peak 1026 #SUP 0.96 #QF 0.62)
&rst
ixpk= 1026, nxpk= 0, iat=1400,1404, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 90 LEU HN 91 LYS QB 5.50 (#peak 1026 #SUP 0.96 #QF 0.62)
&rst
ixpk= 1026, nxpk= 0, iat=1404, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1427,1428,
&end
#
# 90 LEU QD2 91 LYS HN 4.99 (#peak 1029 #SUP 1.00)
&rst
ixpk= 1029, nxpk= 0, iat= -1,1423, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1417,1418,1419,
&end
#
# 90 LEU QD1 91 LYS HN 5.44 (#peak 1030 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1030, nxpk= 0, iat= -1,1423, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1=1413,1414,1415,
&end
#
# 91 LYS HN 92 TYR HA 5.50 (#peak 1032 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1032, nxpk= 0, iat=1423,1447, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 93 ASN HN 94 ALA HA 4.81 (#peak 1035 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1035, nxpk= 0, iat=1466,1482, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 93 ASN HN 94 ALA HN 4.82 (#peak 1038 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1038, nxpk= 0, iat=1466,1480, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 34 THR HN 35 GLY HA3 4.55 (#peak 1039 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1039, nxpk= 0, iat= 501, 518, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 36 ASN HA 38 PHE HN 4.88 (#peak 1042 #SUP 1.00 #QF 0.95)
&rst
ixpk= 1042, nxpk= 0, iat= 524, 555, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 49 ASP HN 50 TYR HB2 4.65 (#peak 1044 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1044, nxpk= 0, iat= 720, 736, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 48 PRO HD3 49 ASP HN 4.50 (#peak 1045 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1045, nxpk= 0, iat= 708, 720, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 35 GLY HN 37 ILE HN 5.04 (#peak 1060 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1060, nxpk= 0, iat= 515, 536, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 58 MET QE 59 ASP HN 4.03 (#peak 9 #SUP 0.99 #QF 0.99)
&rst
ixpk= 9, nxpk= 0, iat= -1, 895, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 889, 890, 891,
&end
#
# 58 MET QE 66 ASN HD21 3.61 (#peak 10 #SUP 0.90 #QF 0.90)
&rst
ixpk= 10, nxpk= 0, iat= -1,1026, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 889, 890, 891,
&end
#
# 58 MET QE 66 ASN HD22 3.61 (#peak 11 #SUP 0.89 #QF 0.89)
&rst
ixpk= 11, nxpk= 0, iat= -1,1027, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 889, 890, 891,
&end
#
# 58 MET QE 62 THR QG2 2.77 (#peak 12 #SUP 0.92 #QF 0.92)
&rst
ixpk= 12, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 889, 890, 891,
igr2= 953, 954, 955,
&end
#
# 17 GLY HA3 20 ILE HB 4.71 (#peak 21 #SUP 0.99 #QF 0.99)
&rst
ixpk= 21, nxpk= 0, iat= 205, 252, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 20 ILE HN 20 ILE QD1 3.71 (#peak 22 #SUP 1.00)
&rst
ixpk= 22, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 261, 262, 263,
&end
#
# 17 GLY HA3 20 ILE QD1 3.64 (#peak 23 #SUP 0.95 #QF 0.95)
&rst
ixpk= 23, nxpk= 0, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 261, 262, 263,
&end
#
# 17 GLY HA3 20 ILE QD1 3.64 (#peak 24 #SUP 0.96 #QF 0.96)
&rst
ixpk= 24, nxpk= 0, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 261, 262, 263,
&end
#
# 20 ILE HA 20 ILE QD1 3.99 (#peak 25 #SUP 1.00)
&rst
ixpk= 25, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 261, 262, 263,
&end
#
# 20 ILE HB 20 ILE QD1 3.02 (#peak 26 #SUP 0.99 #QF 0.99)
&rst
ixpk= 26, nxpk= 0, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 261, 262, 263,
&end
#
# 82 PHE QE 110 GLY HA3 5.04 (#peak 31 #SUP 0.97 #QF 0.47)
&rst
ixpk= 31, nxpk= 0, iat= -1,1760, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1290,1294,
&end
#
# 29 LEU QD1 110 GLY HA3 4.10 (#peak 32 #SUP 0.99 #QF 0.99)
&rst
ixpk= 32, nxpk= 0, iat= -1,1760, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 425, 426, 427,
&end
#
# 106 LEU QD2 110 GLY HA3 4.85 (#peak 33 #SUP 0.94 #QF 0.57)
&rst
ixpk= 33, nxpk= 0, iat= -1,1760, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1=1695,1696,1697,
&end
#
# 110 GLY HA3 113 VAL QG2 4.63 (#peak 36 #SUP 0.95 #QF 0.95)
&rst
ixpk= 36, nxpk= 0, iat=1760, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=1791,1792,1793,
&end
#
# 82 PHE HZ 110 GLY HA3 4.61 (#peak 39 #SUP 0.97 #QF 0.75)
&rst
ixpk= 39, nxpk= 0, iat=1292,1760, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 37 ILE QD1 102 ALA QB 2.79 (#peak 44 #SUP 0.99 #QF 0.99)
&rst
ixpk= 44, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 549, 550, 551,
igr2=1626,1627,1628,
&end
#
# 37 ILE QG2 37 ILE QD1 2.71 (#peak 45 #SUP 0.99 #QF 0.99)
&rst
ixpk= 45, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 542, 543, 544,
igr2= 549, 550, 551,
&end
#
# 35 GLY HA3 37 ILE QD1 4.29 (#peak 52 #SUP 1.00)
&rst
ixpk= 52, nxpk= 0, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 549, 550, 551,
&end
#
# 127 GLY HA3 128 PRO HD2 3.49 (#peak 54 #SUP 0.96 #QF 0.89)
&rst
ixpk= 54, nxpk= 0, iat=2017,2022, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 127 GLY HA3 128 PRO QG 4.63 (#peak 55 #SUP 0.97 #QF 0.97)
&rst
ixpk= 55, nxpk= 0, iat=2017, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=2025,2026,
&end
#
# 107 ARG HD3 107 ARG HH12 4.76 (#peak 59 #SUP 1.00 #QF 0.88)
&rst
ixpk= 59, nxpk= 0, iat=1712,1718, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 86 VAL QG1 107 ARG HD3 4.13 (#peak 64 #SUP 0.99 #QF 0.99)
&rst
ixpk= 64, nxpk= 0, iat= -1,1712, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1=1358,1359,1360,
&end
#
# 23 ARG QB 23 ARG HD2 3.97 (#peak 77 #SUP 0.98 #QF 0.97)
&rst
ixpk= 77, nxpk= 0, iat= -1, 315, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 309, 310,
&end
#
# 23 ARG HD2 67 LEU QD2 5.50 (#peak 78 #SUP 0.95 #QF 0.58)
&rst
ixpk= 78, nxpk= 0, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1044,1045,1046,
&end
#
# 23 ARG QB 23 ARG HD3 3.97 (#peak 81 #SUP 0.96 #QF 0.96)
&rst
ixpk= 81, nxpk= 0, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 309, 310,
&end
#
# 59 ASP HB2 60 PHE HN 4.26 (#peak 87 #SUP 0.99 #QF 0.99)
&rst
ixpk= 87, nxpk= 0, iat= 899, 907, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 105 ARG QD 109 GLN HE22 4.02 (#peak 90 #SUP 0.99 #QF 0.99)
&rst
ixpk= 90, nxpk= 0, iat= -1,1753, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1=1668,1669,
&end
#
# 105 ARG QD 109 GLN HE21 4.02 (#peak 91 #SUP 0.97 #QF 0.97)
&rst
ixpk= 91, nxpk= 0, iat= -1,1752, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1=1668,1669,
&end
#
# 105 ARG HA 105 ARG QD 3.65 (#peak 92 #SUP 0.99 #QF 0.99)
&rst
ixpk= 92, nxpk= 0, iat=1660, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1668,1669,
&end
#
# 105 ARG QD 109 GLN HG3 4.30 (#peak 93 #SUP 0.99 #QF 0.99)
&rst
ixpk= 93, nxpk= 0, iat= -1,1748, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1668,1669,
&end
#
# 105 ARG QB 105 ARG QD 3.08 (#peak 94 #SUP 1.00)
&rst
ixpk= 94, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1=1662,1663,
igr2=1668,1669,
&end
#
# 105 ARG QD 105 ARG QH1 4.05 (#peak 98 #SUP 1.00)
&rst
ixpk= 98, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1668,1669,
igr2=1674,1675,
&end
#
# 105 ARG QD 109 GLN HG2 4.63 (#peak 99 #SUP 0.99 #QF 0.99)
&rst
ixpk= 99, nxpk= 0, iat= -1,1747, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=1668,1669,
&end
#
# 119 ARG QD 119 ARG QH2 4.38 (#peak 102 #SUP 1.00)
&rst
ixpk= 102, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1901,1902,
igr2=1910,1911,
&end
#
# 119 ARG QB 119 ARG QD 3.24 (#peak 103 #SUP 1.00 #QF 0.99)
&rst
ixpk= 103, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1=1895,1896,
igr2=1901,1902,
&end
#
# 53 HID HN 54 ILE QD1 5.02 (#peak 106 #SUP 0.87 #QF 0.87)
&rst
ixpk= 106, nxpk= 0, iat= 784, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2= 814, 815, 816,
&end
#
# 119 ARG HN 119 ARG QD 4.40 (#peak 107 #SUP 1.00)
&rst
ixpk= 107, nxpk= 0, iat=1891, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1901,1902,
&end
#
# 54 ILE QD1 88 ASN HA 3.20 (#peak 111 #SUP 0.99 #QF 0.99)
&rst
ixpk= 111, nxpk= 0, iat= -1,1381, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1= 814, 815, 816,
&end
#
# 54 ILE HA 54 ILE QD1 3.18 (#peak 112 #SUP 0.98 #QF 0.98)
&rst
ixpk= 112, nxpk= 0, iat= 803, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 814, 815, 816,
&end
#
# 54 ILE QD1 91 LYS QB 3.29 (#peak 114 #SUP 1.00)
&rst
ixpk= 114, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 814, 815, 816,
igr2=1427,1428,
&end
#
# 54 ILE QD1 91 LYS QD 3.28 (#peak 115 #SUP 1.00)
&rst
ixpk= 115, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 814, 815, 816,
igr2=1433,1434,
&end
#
# 118 ARG HD2 118 ARG QH1 3.82 (#peak 119 #SUP 1.00)
&rst
ixpk= 119, nxpk= 0, iat=1877, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=1883,1884,
&end
#
# 118 ARG HD3 118 ARG QH1 3.82 (#peak 126 #SUP 0.99 #QF 0.99)
&rst
ixpk= 126, nxpk= 0, iat=1878, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=1883,1884,
&end
#
# 67 LEU HN 67 LEU HB2 3.91 (#peak 127 #SUP 1.00)
&rst
ixpk= 127, nxpk= 0, iat=1031,1035, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 67 LEU HB2 67 LEU QD2 4.10 (#peak 132 #SUP 1.00)
&rst
ixpk= 132, nxpk= 0, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1044,1045,1046,
&end
#
# 67 LEU HN 67 LEU HB3 3.91 (#peak 133 #SUP 1.00)
&rst
ixpk= 133, nxpk= 0, iat=1031,1036, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 71 ARG HA 71 ARG HD2 4.30 (#peak 141 #SUP 0.98 #QF 0.98)
&rst
ixpk= 141, nxpk= 0, iat=1098,1106, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 55 LYS HG2 55 LYS QE 3.66 (#peak 149 #SUP 1.00 #QF 0.49)
&rst
ixpk= 149, nxpk= 0, iat= 827, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 833, 834,
&end
#
# 67 LEU HB3 72 TYR QE 5.25 (#peak 153 #SUP 0.98 #QF 0.98)
&rst
ixpk= 153, nxpk= 0, iat=1036, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2=1130,1135,
&end
#
# 67 LEU HB3 67 LEU QD2 4.10 (#peak 157 #SUP 1.00)
&rst
ixpk= 157, nxpk= 0, iat=1036, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1044,1045,1046,
&end
#
# 84 LEU HB3 84 LEU QD2 4.05 (#peak 162 #SUP 1.00)
&rst
ixpk= 162, nxpk= 0, iat=1319, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1327,1328,1329,
&end
#
# 64 LYS HE2 68 GLU HG3 5.50 (#peak 165 #SUP 0.54 #QF 0.25)
&rst
ixpk= 165, nxpk= 0, iat= 991,1058, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 LYS HE3 68 GLU HG3 5.50 (#peak 165 #SUP 0.54 #QF 0.25)
&rst
ixpk= 165, nxpk= 0, iat= 992,1058, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 LYS QG 64 LYS HE2 3.81 (#peak 168 #SUP 0.99 #QF 0.97)
&rst
ixpk= 168, nxpk= 0, iat= -1, 991, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 985, 986,
&end
#
# 64 LYS QG 64 LYS HE3 3.81 (#peak 168 #SUP 0.99 #QF 0.97)
&rst
ixpk= 168, nxpk= 0, iat= -1, 992, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 985, 986,
&end
#
# 88 ASN HA 91 LYS QE 4.03 (#peak 170 #SUP 0.95 #QF 0.95)
&rst
ixpk= 170, nxpk= 0, iat=1381, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=1436,1437,
&end
#
# 91 LYS QB 91 LYS QE 3.68 (#peak 171 #SUP 1.00)
&rst
ixpk= 171, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=1427,1428,
igr2=1436,1437,
&end
#
# 91 LYS QD 91 LYS QE 2.62 (#peak 172 #SUP 1.00)
&rst
ixpk= 172, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr1=1433,1434,
igr2=1436,1437,
&end
#
# 69 ALA QB 71 ARG HD2 4.21 (#peak 174 #SUP 0.97 #QF 0.31)
&rst
ixpk= 174, nxpk= 0, iat= -1,1106, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1069,1070,1071,
&end
#
# 54 ILE QD1 91 LYS QE 3.71 (#peak 175 #SUP 0.99 #QF 0.99)
&rst
ixpk= 175, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 814, 815, 816,
igr2=1436,1437,
&end
#
# 32 LYS HG2 32 LYS HE2 4.05 (#peak 182 #SUP 0.98 #QF 0.98)
&rst
ixpk= 182, nxpk= 0, iat= 474, 480, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 32 LYS HG3 32 LYS HE2 4.05 (#peak 183 #SUP 1.00)
&rst
ixpk= 183, nxpk= 0, iat= 475, 480, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 32 LYS HG2 32 LYS HE3 4.05 (#peak 185 #SUP 0.98 #QF 0.98)
&rst
ixpk= 185, nxpk= 0, iat= 474, 481, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 32 LYS HA 32 LYS HE3 4.89 (#peak 187 #SUP 1.00)
&rst
ixpk= 187, nxpk= 0, iat= 469, 481, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 56 LYS HG3 56 LYS HE3 4.16 (#peak 190 #SUP 0.98 #QF 0.98)
&rst
ixpk= 190, nxpk= 0, iat= 850, 856, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 32 LYS HG3 32 LYS HE3 4.05 (#peak 191 #SUP 0.98 #QF 0.67)
&rst
ixpk= 191, nxpk= 0, iat= 475, 481, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 56 LYS HG3 56 LYS HE2 4.16 (#peak 196 #SUP 1.00)
&rst
ixpk= 196, nxpk= 0, iat= 850, 855, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 56 LYS HG2 56 LYS HE2 4.16 (#peak 197 #SUP 0.98 #QF 0.98)
&rst
ixpk= 197, nxpk= 0, iat= 849, 855, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 73 LEU HB2 73 LEU QD1 3.70 (#peak 212 #SUP 1.00)
&rst
ixpk= 212, nxpk= 0, iat=1145, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=1150,1151,1152,
&end
#
# 73 LEU HB2 73 LEU QD2 4.09 (#peak 213 #SUP 1.00)
&rst
ixpk= 213, nxpk= 0, iat=1145, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1154,1155,1156,
&end
#
# 73 LEU HN 73 LEU HB3 4.18 (#peak 215 #SUP 1.00)
&rst
ixpk= 215, nxpk= 0, iat=1141,1146, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 73 LEU HB3 73 LEU QD2 4.09 (#peak 219 #SUP 0.99 #QF 0.99)
&rst
ixpk= 219, nxpk= 0, iat=1146, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1154,1155,1156,
&end
#
# 55 LYS HA 55 LYS QE 4.68 (#peak 220 #SUP 0.84 #QF 0.67)
&rst
ixpk= 220, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 833, 834,
&end
#
# 123 LYS HA 123 LYS QE 5.18 (#peak 220 #SUP 0.84 #QF 0.67)
&rst
ixpk= 220, nxpk= 0, iat=1959, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=1970,1971,
&end
#
# 120 GLN HA 123 LYS QE 3.91 (#peak 221 #SUP 0.96 #QF 0.96)
&rst
ixpk= 221, nxpk= 0, iat=1917, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2=1970,1971,
&end
#
# 123 LYS HB2 123 LYS QE 3.87 (#peak 222 #SUP 0.98 #QF 0.98)
&rst
ixpk= 222, nxpk= 0, iat=1961, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1970,1971,
&end
#
# 123 LYS QD 123 LYS QE 2.60 (#peak 224 #SUP 1.00)
&rst
ixpk= 224, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1=1967,1968,
igr2=1970,1971,
&end
#
# 95 LYS QD 95 LYS QE 2.78 (#peak 225 #SUP 1.00)
&rst
ixpk= 225, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1=1500,1501,
igr2=1503,1504,
&end
#
# 55 LYS HG3 55 LYS QE 3.66 (#peak 226 #SUP 0.70 #QF 0.55)
&rst
ixpk= 226, nxpk= 0, iat= 828, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 833, 834,
&end
#
# 95 LYS HG2 95 LYS QE 3.49 (#peak 227 #SUP 0.99 #QF 0.99)
&rst
ixpk= 227, nxpk= 0, iat=1497, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1503,1504,
&end
#
# 95 LYS HG3 95 LYS QE 3.49 (#peak 228 #SUP 0.95 #QF 0.95)
&rst
ixpk= 228, nxpk= 0, iat=1498, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1503,1504,
&end
#
# 24 LYS HA 24 LYS QE 4.26 (#peak 230 #SUP 0.88 #QF 0.88)
&rst
ixpk= 230, nxpk= 0, iat= 331, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 342, 343,
&end
#
# 24 LYS QB 24 LYS QE 3.72 (#peak 231 #SUP 1.00)
&rst
ixpk= 231, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 333, 334,
igr2= 342, 343,
&end
#
# 24 LYS QG 24 LYS QE 3.14 (#peak 233 #SUP 1.00)
&rst
ixpk= 233, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 336, 337,
igr2= 342, 343,
&end
#
# 20 ILE QG2 24 LYS QE 3.37 (#peak 234 #SUP 0.96 #QF 0.96)
&rst
ixpk= 234, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 254, 255, 256,
igr2= 342, 343,
&end
#
# 106 LEU HB2 106 LEU QD1 4.10 (#peak 236 #SUP 1.00)
&rst
ixpk= 236, nxpk= 0, iat=1686, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1691,1692,1693,
&end
#
# 103 ALA HA 106 LEU HB3 4.69 (#peak 239 #SUP 0.93 #QF 0.93)
&rst
ixpk= 239, nxpk= 0, iat=1634,1687, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 26 LEU HB3 78 PHE HZ 4.60 (#peak 245 #SUP 0.99 #QF 0.99)
&rst
ixpk= 245, nxpk= 0, iat= 370,1230, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 26 LEU HB2 27 GLU HN 4.54 (#peak 247 #SUP 0.99 #QF 0.99)
&rst
ixpk= 247, nxpk= 0, iat= 369, 384, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 26 LEU HN 26 LEU HB3 4.02 (#peak 257 #SUP 1.00)
&rst
ixpk= 257, nxpk= 0, iat= 365, 370, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 26 LEU HB3 78 PHE QE 4.60 (#peak 259 #SUP 0.88 #QF 0.85)
&rst
ixpk= 259, nxpk= 0, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1228,1232,
&end
#
# 114 LEU HB2 115 ARG HN 4.41 (#peak 269 #SUP 1.00)
&rst
ixpk= 269, nxpk= 0, iat=1801,1816, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 19 LEU HN 19 LEU HB2 3.49 (#peak 270 #SUP 1.00)
&rst
ixpk= 270, nxpk= 0, iat= 229, 233, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 16 SER HA 19 LEU HB2 4.58 (#peak 271 #SUP 1.00)
&rst
ixpk= 271, nxpk= 0, iat= 193, 233, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 19 LEU HN 19 LEU HB3 3.68 (#peak 276 #SUP 1.00)
&rst
ixpk= 276, nxpk= 0, iat= 229, 234, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 19 LEU HB3 19 LEU QD1 3.59 (#peak 279 #SUP 1.00)
&rst
ixpk= 279, nxpk= 0, iat= 234, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 238, 239, 240,
&end
#
# 19 LEU HB3 19 LEU QD2 3.84 (#peak 279 #SUP 1.00)
&rst
ixpk= 279, nxpk= 0, iat= 234, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 242, 243, 244,
&end
#
# 72 TYR QD 77 ASP HB3 4.35 (#peak 282 #SUP 0.97 #QF 0.97)
&rst
ixpk= 282, nxpk= 0, iat= -1,1211, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1=1128,1137,
&end
#
# 72 TYR QD 77 ASP HB2 4.35 (#peak 287 #SUP 0.96 #QF 0.96)
&rst
ixpk= 287, nxpk= 0, iat= -1,1210, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1=1128,1137,
&end
#
# 18 PHE HA 21 LEU HB2 4.45 (#peak 289 #SUP 0.98 #QF 0.98)
&rst
ixpk= 289, nxpk= 0, iat= 211, 271, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 74 ASN HB2 75 PHE HN 4.29 (#peak 290 #SUP 0.99 #QF 0.99)
&rst
ixpk= 290, nxpk= 0, iat=1164,1174, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 74 ASN HB3 75 PHE HN 4.29 (#peak 295 #SUP 1.00)
&rst
ixpk= 295, nxpk= 0, iat=1165,1174, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 74 ASN HB3 76 ASP HN 4.50 (#peak 296 #SUP 0.96 #QF 0.96)
&rst
ixpk= 296, nxpk= 0, iat=1165,1194, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 LEU HB2 67 LEU QD1 4.51 (#peak 316 #SUP 0.98 #QF 0.98)
&rst
ixpk= 316, nxpk= 0, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1040,1041,1042,
&end
#
# 18 PHE HA 21 LEU HB3 4.78 (#peak 319 #SUP 0.98 #QF 0.98)
&rst
ixpk= 319, nxpk= 0, iat= 211, 272, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 21 LEU HB3 22 LEU HN 4.66 (#peak 333 #SUP 0.93 #QF 0.64)
&rst
ixpk= 333, nxpk= 0, iat= 272, 286, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 22 LEU HB3 67 LEU QD1 4.51 (#peak 339 #SUP 1.00)
&rst
ixpk= 339, nxpk= 0, iat= 291, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1040,1041,1042,
&end
#
# 44 LEU HB2 44 LEU QD2 3.97 (#peak 347 #SUP 1.00)
&rst
ixpk= 347, nxpk= 0, iat= 649, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 658, 659, 660,
&end
#
# 44 LEU HN 44 LEU HB3 3.97 (#peak 348 #SUP 1.00)
&rst
ixpk= 348, nxpk= 0, iat= 645, 650, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 75 PHE HB3 76 ASP HN 4.69 (#peak 360 #SUP 0.99 #QF 0.94)
&rst
ixpk= 360, nxpk= 0, iat=1179,1194, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 97 THR HG1 100 TYR HB2 5.03 (#peak 368 #SUP 0.96 #QF 0.96)
&rst
ixpk= 368, nxpk= 0, iat=1534,1581, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 18 PHE QE 75 PHE HB2 4.41 (#peak 369 #SUP 0.92 #QF 0.86)
&rst
ixpk= 369, nxpk= 0, iat= -1,1178, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 219, 223,
&end
#
# 52 ASP HN 52 ASP HB3 4.21 (#peak 383 #SUP 0.98 #QF 0.96)
&rst
ixpk= 383, nxpk= 0, iat= 772, 777, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 52 ASP HB3 53 HID HD2 4.82 (#peak 383 #SUP 0.98 #QF 0.96)
&rst
ixpk= 383, nxpk= 0, iat= 777, 797, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 51 LEU HB2 51 LEU QD1 3.83 (#peak 387 #SUP 0.99 #QF 0.99)
&rst
ixpk= 387, nxpk= 0, iat= 757, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 762, 763, 764,
&end
#
# 38 PHE HB2 85 ILE QG2 4.43 (#peak 402 #SUP 0.98 #QF 0.98)
&rst
ixpk= 402, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1339,1340,1341,
&end
#
# 38 PHE HB2 60 PHE QE 4.57 (#peak 403 #SUP 0.98 #QF 0.81)
&rst
ixpk= 403, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 917, 921,
&end
#
# 38 PHE HB3 60 PHE QE 4.57 (#peak 407 #SUP 0.99 #QF 0.84)
&rst
ixpk= 407, nxpk= 0, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 917, 921,
&end
#
# 50 TYR HB3 51 LEU HG 4.86 (#peak 410 #SUP 1.00 #QF 0.99)
&rst
ixpk= 410, nxpk= 0, iat= 737, 760, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 78 PHE HB2 79 GLU HN 4.56 (#peak 411 #SUP 1.00)
&rst
ixpk= 411, nxpk= 0, iat=1222,1238, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 63 MET QE 81 ASP HB2 4.74 (#peak 441 #SUP 0.97 #QF 0.97)
&rst
ixpk= 441, nxpk= 0, iat= -1,1272, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 972, 973, 974,
&end
#
# 20 ILE HN 20 ILE HB 3.65 (#peak 456 #SUP 1.00)
&rst
ixpk= 456, nxpk= 0, iat= 248, 252, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 82 PHE HB3 83 ASN HN 4.57 (#peak 460 #SUP 0.99 #QF 0.99)
&rst
ixpk= 460, nxpk= 0, iat=1285,1300, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 66 ASN HB2 67 LEU HN 4.56 (#peak 466 #SUP 0.97 #QF 0.97)
&rst
ixpk= 466, nxpk= 0, iat=1021,1031, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 63 MET HA 66 ASN HB3 4.59 (#peak 478 #SUP 0.98 #QF 0.98)
&rst
ixpk= 478, nxpk= 0, iat= 963,1022, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 66 ASN HB3 71 ARG HB2 4.58 (#peak 482 #SUP 1.00 #QF 0.98)
&rst
ixpk= 482, nxpk= 0, iat=1022,1100, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 82 PHE QD 83 ASN HB2 5.08 (#peak 484 #SUP 1.00 #QF 0.65)
&rst
ixpk= 484, nxpk= 0, iat= -1,1304, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1288,1296,
&end
#
# 80 GLU HA 83 ASN HB3 4.13 (#peak 492 #SUP 1.00)
&rst
ixpk= 492, nxpk= 0, iat=1255,1305, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 85 ILE HB 85 ILE QD1 3.94 (#peak 497 #SUP 0.98 #QF 0.98)
&rst
ixpk= 497, nxpk= 0, iat=1337, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1346,1347,1348,
&end
#
# 36 ASN HN 36 ASN HB3 4.05 (#peak 498 #SUP 1.00)
&rst
ixpk= 498, nxpk= 0, iat= 522, 527, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 36 ASN HN 36 ASN HB2 4.15 (#peak 505 #SUP 1.00)
&rst
ixpk= 505, nxpk= 0, iat= 522, 526, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 75 PHE QE 79 GLU QG 4.03 (#peak 512 #SUP 0.72 #QF 0.49)
&rst
ixpk= 512, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=1184,1188,
igr2=1245,1246,
&end
#
# 79 GLU QG 82 PHE QD 4.56 (#peak 512 #SUP 0.72 #QF 0.49)
&rst
ixpk= 512, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1245,1246,
igr2=1288,1296,
&end
#
# 79 GLU QG 80 GLU HN 4.90 (#peak 514 #SUP 1.00)
&rst
ixpk= 514, nxpk= 0, iat= -1,1253, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1245,1246,
&end
#
# 122 GLU HN 122 GLU HG2 3.73 (#peak 517 #SUP 0.99 #QF 0.99)
&rst
ixpk= 517, nxpk= 0, iat=1942,1949, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 118 ARG QG 122 GLU HG3 4.67 (#peak 520 #SUP 0.75 #QF 0.75)
&rst
ixpk= 520, nxpk= 0, iat= -1,1950, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1874,1875,
&end
#
# 54 ILE HN 54 ILE HB 3.84 (#peak 521 #SUP 1.00)
&rst
ixpk= 521, nxpk= 0, iat= 801, 805, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 118 ARG QG 122 GLU HG2 4.67 (#peak 524 #SUP 0.71 #QF 0.71)
&rst
ixpk= 524, nxpk= 0, iat= -1,1949, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1874,1875,
&end
#
# 27 GLU HG2 28 GLN HN 5.24 (#peak 525 #SUP 1.00)
&rst
ixpk= 525, nxpk= 0, iat= 391, 399, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 27 GLU HA 27 GLU HG2 3.85 (#peak 527 #SUP 0.91 #QF 0.54)
&rst
ixpk= 527, nxpk= 0, iat= 386, 391, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 122 GLU HN 122 GLU HG3 3.73 (#peak 530 #SUP 0.97 #QF 0.97)
&rst
ixpk= 530, nxpk= 0, iat=1942,1950, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 31 GLU HN 31 GLU HG3 3.75 (#peak 531 #SUP 1.00)
&rst
ixpk= 531, nxpk= 0, iat= 452, 460, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 27 GLU HN 27 GLU HG3 3.68 (#peak 533 #SUP 0.99 #QF 0.99)
&rst
ixpk= 533, nxpk= 0, iat= 384, 392, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 27 GLU HA 27 GLU HG3 3.85 (#peak 534 #SUP 0.99 #QF 0.99)
&rst
ixpk= 534, nxpk= 0, iat= 386, 392, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 46 GLU HG2 47 VAL HN 4.53 (#peak 537 #SUP 0.80 #QF 0.55)
&rst
ixpk= 537, nxpk= 0, iat= 682, 690, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 46 GLU HA 46 GLU HG3 3.97 (#peak 538 #SUP 0.65 #QF 0.23)
&rst
ixpk= 538, nxpk= 0, iat= 677, 683, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 46 GLU HN 46 GLU HG2 3.80 (#peak 543 #SUP 0.98 #QF 0.98)
&rst
ixpk= 543, nxpk= 0, iat= 675, 682, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 46 GLU HA 46 GLU HG2 3.68 (#peak 544 #SUP 0.97 #QF 0.97)
&rst
ixpk= 544, nxpk= 0, iat= 677, 682, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 43 PRO HB2 46 GLU HG2 3.28 (#peak 545 #SUP 1.00 #QF 0.40)
&rst
ixpk= 545, nxpk= 0, iat= 638, 682, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 80 GLU HN 80 GLU QG 3.41 (#peak 546 #SUP 0.98 #QF 0.98)
&rst
ixpk= 546, nxpk= 0, iat=1253, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=1260,1261,
&end
#
# 80 GLU QG 81 ASP HN 4.36 (#peak 547 #SUP 0.99 #QF 0.99)
&rst
ixpk= 547, nxpk= 0, iat= -1,1268, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=1260,1261,
&end
#
# 77 ASP HA 80 GLU QG 3.87 (#peak 548 #SUP 0.95 #QF 0.95)
&rst
ixpk= 548, nxpk= 0, iat=1208, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1260,1261,
&end
#
# 80 GLU HA 80 GLU QG 3.36 (#peak 549 #SUP 0.99 #QF 0.99)
&rst
ixpk= 549, nxpk= 0, iat=1255, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1260,1261,
&end
#
# 80 GLU QG 83 ASN HD21 4.94 (#peak 550 #SUP 0.78 #QF 0.78)
&rst
ixpk= 550, nxpk= 0, iat= -1,1309, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=1260,1261,
&end
#
# 40 GLU HN 40 GLU HG3 4.11 (#peak 551 #SUP 1.00)
&rst
ixpk= 551, nxpk= 0, iat= 586, 594, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 40 GLU HG3 41 PRO HD2 4.14 (#peak 552 #SUP 0.97 #QF 0.97)
&rst
ixpk= 552, nxpk= 0, iat= 594, 602, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 40 GLU HN 40 GLU HG2 4.17 (#peak 555 #SUP 1.00)
&rst
ixpk= 555, nxpk= 0, iat= 586, 593, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 39 SER HB3 40 GLU HG2 4.46 (#peak 556 #SUP 0.99 #QF 0.99)
&rst
ixpk= 556, nxpk= 0, iat= 580, 593, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 40 GLU HG2 41 PRO HD2 4.25 (#peak 557 #SUP 0.99 #QF 0.99)
&rst
ixpk= 557, nxpk= 0, iat= 593, 602, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 40 GLU HG2 41 PRO HD3 4.40 (#peak 558 #SUP 0.99 #QF 0.99)
&rst
ixpk= 558, nxpk= 0, iat= 593, 603, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 108 GLU HG2 109 GLN HN 4.36 (#peak 561 #SUP 1.00)
&rst
ixpk= 561, nxpk= 0, iat=1732,1740, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 104 VAL QG1 108 GLU HG2 3.98 (#peak 562 #SUP 0.95 #QF 0.95)
&rst
ixpk= 562, nxpk= 0, iat= -1,1732, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1=1648,1649,1650,
&end
#
# 105 ARG HA 108 GLU HG3 4.37 (#peak 563 #SUP 0.96 #QF 0.96)
&rst
ixpk= 563, nxpk= 0, iat=1660,1733, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 108 GLU HA 108 GLU HG3 3.93 (#peak 564 #SUP 1.00)
&rst
ixpk= 564, nxpk= 0, iat=1727,1733, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 108 GLU HN 108 GLU HG2 3.65 (#peak 566 #SUP 1.00)
&rst
ixpk= 566, nxpk= 0, iat=1725,1732, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 105 ARG HA 108 GLU HG2 4.37 (#peak 567 #SUP 0.96 #QF 0.96)
&rst
ixpk= 567, nxpk= 0, iat=1660,1732, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 108 GLU HA 108 GLU HG2 3.93 (#peak 568 #SUP 0.99 #QF 0.99)
&rst
ixpk= 568, nxpk= 0, iat=1727,1732, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 108 GLU HG3 109 GLN HN 4.36 (#peak 569 #SUP 1.00)
&rst
ixpk= 569, nxpk= 0, iat=1733,1740, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 108 GLU HN 108 GLU HG3 3.65 (#peak 570 #SUP 1.00)
&rst
ixpk= 570, nxpk= 0, iat=1725,1733, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 34 THR HB 35 GLY HN 4.22 (#peak 571 #SUP 0.99 #QF 0.99)
&rst
ixpk= 571, nxpk= 0, iat= 505, 515, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 34 THR HN 34 THR HB 3.76 (#peak 573 #SUP 1.00)
&rst
ixpk= 573, nxpk= 0, iat= 501, 505, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 28 GLN HA 28 GLN HG3 3.83 (#peak 591 #SUP 1.00)
&rst
ixpk= 591, nxpk= 0, iat= 401, 407, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 30 GLN HN 30 GLN HG2 4.01 (#peak 602 #SUP 0.99 #QF 0.99)
&rst
ixpk= 602, nxpk= 0, iat= 435, 442, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 30 GLN HA 30 GLN HG2 3.87 (#peak 604 #SUP 1.00)
&rst
ixpk= 604, nxpk= 0, iat= 437, 442, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 30 GLN HG3 60 PHE QD 5.50 (#peak 610 #SUP 0.81 #QF 0.63)
&rst
ixpk= 610, nxpk= 0, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 915, 923,
&end
#
# 30 GLN HG3 60 PHE QE 5.50 (#peak 610 #SUP 0.81 #QF 0.63)
&rst
ixpk= 610, nxpk= 0, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 917, 921,
&end
#
# 30 GLN HA 30 GLN HG3 3.87 (#peak 611 #SUP 0.99 #QF 0.99)
&rst
ixpk= 611, nxpk= 0, iat= 437, 443, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 109 GLN HN 109 GLN HG3 3.56 (#peak 613 #SUP 1.00)
&rst
ixpk= 613, nxpk= 0, iat=1740,1748, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 108 GLU HB2 109 GLN HG3 4.19 (#peak 617 #SUP 0.87 #QF 0.87)
&rst
ixpk= 617, nxpk= 0, iat=1729,1748, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 105 ARG HG2 109 GLN HG3 4.43 (#peak 620 #SUP 0.99 #QF 0.99)
&rst
ixpk= 620, nxpk= 0, iat=1665,1748, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 105 ARG HG3 109 GLN HG3 4.43 (#peak 621 #SUP 1.00)
&rst
ixpk= 621, nxpk= 0, iat=1666,1748, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 109 GLN HN 109 GLN HG2 3.63 (#peak 622 #SUP 0.99 #QF 0.99)
&rst
ixpk= 622, nxpk= 0, iat=1740,1747, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 109 GLN HA 109 GLN HG2 3.39 (#peak 624 #SUP 1.00)
&rst
ixpk= 624, nxpk= 0, iat=1742,1747, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 104 VAL HA 107 ARG HB2 4.19 (#peak 631 #SUP 0.96 #QF 0.96)
&rst
ixpk= 631, nxpk= 0, iat=1644,1705, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 104 VAL HA 104 VAL QG1 3.07 (#peak 632 #SUP 1.00 #QF 0.98)
&rst
ixpk= 632, nxpk= 0, iat=1644, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2=1648,1649,1650,
&end
#
# 104 VAL HA 107 ARG HB3 3.84 (#peak 635 #SUP 0.98 #QF 0.98)
&rst
ixpk= 635, nxpk= 0, iat=1644,1706, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 62 THR HA 65 GLN HG3 4.00 (#peak 637 #SUP 0.95 #QF 0.95)
&rst
ixpk= 637, nxpk= 0, iat= 949,1008, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 62 THR HA 65 GLN HB2 4.64 (#peak 639 #SUP 0.99 #QF 0.99)
&rst
ixpk= 639, nxpk= 0, iat= 949,1004, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 56 LYS HB3 84 LEU QD1 4.26 (#peak 648 #SUP 1.00)
&rst
ixpk= 648, nxpk= 0, iat= 847, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1323,1324,1325,
&end
#
# 25 THR HA 28 GLN HN 4.10 (#peak 650 #SUP 1.00)
&rst
ixpk= 650, nxpk= 0, iat= 353, 399, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 25 THR HA 28 GLN HB2 4.52 (#peak 652 #SUP 0.98 #QF 0.98)
&rst
ixpk= 652, nxpk= 0, iat= 353, 403, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 24 LYS QB 25 THR HA 4.20 (#peak 653 #SUP 0.84 #QF 0.84)
&rst
ixpk= 653, nxpk= 0, iat= -1, 353, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 333, 334,
&end
#
# 19 LEU QD1 70 TYR HB2 5.50 (#peak 658 #SUP 1.00 #QF 0.69)
&rst
ixpk= 658, nxpk= 0, iat= -1,1079, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 238, 239, 240,
&end
#
# 120 GLN HA 120 GLN HG2 3.46 (#peak 663 #SUP 0.96 #QF 0.25)
&rst
ixpk= 663, nxpk= 0, iat=1917,1922, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 120 GLN HG3 121 ALA HN 4.59 (#peak 667 #SUP 1.00)
&rst
ixpk= 667, nxpk= 0, iat=1923,1932, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 120 GLN HN 120 GLN HG3 3.47 (#peak 668 #SUP 0.99 #QF 0.99)
&rst
ixpk= 668, nxpk= 0, iat=1915,1923, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 117 ALA HA 120 GLN HG3 3.46 (#peak 670 #SUP 0.81 #QF 0.74)
&rst
ixpk= 670, nxpk= 0, iat=1859,1923, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 21 LEU HB3 120 GLN HG3 5.05 (#peak 673 #SUP 0.93 #QF 0.43)
&rst
ixpk= 673, nxpk= 0, iat= 272,1923, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 117 ALA QB 120 GLN HG3 5.23 (#peak 673 #SUP 0.93 #QF 0.43)
&rst
ixpk= 673, nxpk= 0, iat= -1,1923, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1=1861,1862,1863,
&end
#
# 65 GLN HG2 66 ASN HN 4.82 (#peak 675 #SUP 1.00)
&rst
ixpk= 675, nxpk= 0, iat=1007,1017, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 61 PHE QD 65 GLN HG2 4.74 (#peak 676 #SUP 0.95 #QF 0.76)
&rst
ixpk= 676, nxpk= 0, iat= -1,1007, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 935, 943,
&end
#
# 61 PHE QE 65 GLN HG2 5.05 (#peak 676 #SUP 0.95 #QF 0.76)
&rst
ixpk= 676, nxpk= 0, iat= -1,1007, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 937, 941,
&end
#
# 65 GLN HA 65 GLN HG2 3.86 (#peak 678 #SUP 1.00)
&rst
ixpk= 678, nxpk= 0, iat=1002,1007, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 62 THR HA 65 GLN HG2 4.00 (#peak 679 #SUP 0.98 #QF 0.98)
&rst
ixpk= 679, nxpk= 0, iat= 949,1007, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 65 GLN HG3 66 ASN HN 4.82 (#peak 683 #SUP 0.99 #QF 0.99)
&rst
ixpk= 683, nxpk= 0, iat=1008,1017, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 61 PHE QD 65 GLN HG3 4.74 (#peak 685 #SUP 0.99 #QF 0.91)
&rst
ixpk= 685, nxpk= 0, iat= -1,1008, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 935, 943,
&end
#
# 61 PHE QE 65 GLN HG3 5.05 (#peak 685 #SUP 0.99 #QF 0.91)
&rst
ixpk= 685, nxpk= 0, iat= -1,1008, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 937, 941,
&end
#
# 65 GLN HA 65 GLN HG3 3.86 (#peak 687 #SUP 0.98 #QF 0.98)
&rst
ixpk= 687, nxpk= 0, iat=1002,1008, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 120 GLN HG2 121 ALA HN 4.65 (#peak 700 #SUP 0.98 #QF 0.98)
&rst
ixpk= 700, nxpk= 0, iat=1922,1932, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 113 VAL QG1 116 GLN HG3 3.77 (#peak 702 #SUP 0.33 #QF 0.33)
&rst
ixpk= 702, nxpk= 0, iat= -1,1848, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1787,1788,1789,
&end
#
# 21 LEU QD1 120 GLN HG3 4.43 (#peak 704 #SUP 0.97 #QF 0.71)
&rst
ixpk= 704, nxpk= 0, iat= -1,1923, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 276, 277, 278,
&end
#
# 85 ILE HA 85 ILE HG13 4.25 (#peak 708 #SUP 1.00)
&rst
ixpk= 708, nxpk= 0, iat=1335,1344, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 116 GLN HG3 117 ALA HN 4.24 (#peak 716 #SUP 1.00)
&rst
ixpk= 716, nxpk= 0, iat=1848,1857, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 113 VAL HA 116 GLN HG2 4.26 (#peak 719 #SUP 1.00)
&rst
ixpk= 719, nxpk= 0, iat=1783,1847, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 116 GLN HG2 117 ALA HN 4.26 (#peak 720 #SUP 1.00)
&rst
ixpk= 720, nxpk= 0, iat=1847,1857, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 116 GLN HN 116 GLN HG2 3.54 (#peak 722 #SUP 1.00)
&rst
ixpk= 722, nxpk= 0, iat=1840,1847, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 116 GLN HA 116 GLN HG2 3.87 (#peak 724 #SUP 1.00)
&rst
ixpk= 724, nxpk= 0, iat=1842,1847, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 112 ALA QB 116 GLN HG2 4.96 (#peak 727 #SUP 1.00 #QF 0.58)
&rst
ixpk= 727, nxpk= 0, iat= -1,1847, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1=1775,1776,1777,
&end
#
# 116 GLN HG2 117 ALA QB 5.13 (#peak 727 #SUP 1.00 #QF 0.58)
&rst
ixpk= 727, nxpk= 0, iat=1847, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2=1861,1862,1863,
&end
#
# 116 GLN HN 116 GLN HG3 3.57 (#peak 729 #SUP 1.00)
&rst
ixpk= 729, nxpk= 0, iat=1840,1848, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 116 GLN HG3 117 ALA HA 4.17 (#peak 730 #SUP 0.87 #QF 0.40)
&rst
ixpk= 730, nxpk= 0, iat=1848,1859, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 113 VAL HA 116 GLN HG3 4.20 (#peak 731 #SUP 0.99 #QF 0.99)
&rst
ixpk= 731, nxpk= 0, iat=1783,1848, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 116 GLN HG3 117 ALA QB 4.45 (#peak 734 #SUP 0.98 #QF 0.98)
&rst
ixpk= 734, nxpk= 0, iat=1848, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1861,1862,1863,
&end
#
# 124 MET HN 124 MET QB 3.38 (#peak 735 #SUP 0.99 #QF 0.99)
&rst
ixpk= 735, nxpk= 0, iat=1979, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=1983,1984,
&end
#
# 121 ALA HA 124 MET QB 4.70 (#peak 737 #SUP 0.94 #QF 0.69)
&rst
ixpk= 737, nxpk= 0, iat=1934, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1983,1984,
&end
#
# 124 MET QB 125 GLY QA 4.99 (#peak 737 #SUP 0.94 #QF 0.69)
&rst
ixpk= 737, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1=1983,1984,
igr2=1998,1999,
&end
#
# 91 LYS QB 92 TYR HN 3.94 (#peak 738 #SUP 1.00)
&rst
ixpk= 738, nxpk= 0, iat= -1,1445, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1=1427,1428,
&end
#
# 91 LYS QB 91 LYS QD 3.49 (#peak 742 #SUP 1.00)
&rst
ixpk= 742, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1427,1428,
igr2=1433,1434,
&end
#
# 55 LYS HB2 56 LYS HN 3.90 (#peak 752 #SUP 0.97 #QF 0.97)
&rst
ixpk= 752, nxpk= 0, iat= 824, 842, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 55 LYS HN 55 LYS HB2 3.47 (#peak 753 #SUP 1.00)
&rst
ixpk= 753, nxpk= 0, iat= 820, 824, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 54 ILE HA 55 LYS HB2 4.42 (#peak 755 #SUP 0.98 #QF 0.98)
&rst
ixpk= 755, nxpk= 0, iat= 803, 824, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 55 LYS HB3 56 LYS HN 3.90 (#peak 758 #SUP 0.96 #QF 0.96)
&rst
ixpk= 758, nxpk= 0, iat= 825, 842, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 55 LYS HN 55 LYS HB3 3.52 (#peak 759 #SUP 0.99 #QF 0.99)
&rst
ixpk= 759, nxpk= 0, iat= 820, 825, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 123 LYS HB2 123 LYS QD 3.72 (#peak 769 #SUP 1.00)
&rst
ixpk= 769, nxpk= 0, iat=1961, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=1967,1968,
&end
#
# 123 LYS HN 123 LYS HB3 3.39 (#peak 772 #SUP 0.99 #QF 0.99)
&rst
ixpk= 772, nxpk= 0, iat=1957,1962, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 120 GLN HA 123 LYS HB3 4.01 (#peak 774 #SUP 0.96 #QF 0.96)
&rst
ixpk= 774, nxpk= 0, iat=1917,1962, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 123 LYS HB3 123 LYS QD 3.73 (#peak 776 #SUP 1.00)
&rst
ixpk= 776, nxpk= 0, iat=1962, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1967,1968,
&end
#
# 113 VAL HA 117 ALA QB 4.98 (#peak 784 #SUP 1.00)
&rst
ixpk= 784, nxpk= 0, iat=1783, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1861,1862,1863,
&end
#
# 113 VAL HA 113 VAL QG2 3.09 (#peak 785 #SUP 0.99 #QF 0.99)
&rst
ixpk= 785, nxpk= 0, iat=1783, -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr2=1791,1792,1793,
&end
#
# 113 VAL HA 113 VAL QG1 3.26 (#peak 786 #SUP 1.00)
&rst
ixpk= 786, nxpk= 0, iat=1783, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1787,1788,1789,
&end
#
# 20 ILE HA 23 ARG HN 4.21 (#peak 787 #SUP 0.97 #QF 0.97)
&rst
ixpk= 787, nxpk= 0, iat= 250, 305, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 20 ILE HA 23 ARG QB 3.94 (#peak 790 #SUP 0.95 #QF 0.92)
&rst
ixpk= 790, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 309, 310,
&end
#
# 20 ILE HA 20 ILE HG12 3.78 (#peak 791 #SUP 1.00)
&rst
ixpk= 791, nxpk= 0, iat= 250, 258, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 20 ILE HA 20 ILE HG13 3.78 (#peak 792 #SUP 1.00)
&rst
ixpk= 792, nxpk= 0, iat= 250, 259, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 50 TYR QE 57 PRO HB3 4.56 (#peak 795 #SUP 0.98 #QF 0.98)
&rst
ixpk= 795, nxpk= 0, iat= -1, 872, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 742, 747,
&end
#
# 57 PRO HB3 58 MET HN 4.56 (#peak 796 #SUP 1.00)
&rst
ixpk= 796, nxpk= 0, iat= 872, 878, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 58 MET HB3 84 LEU QD2 4.22 (#peak 817 #SUP 1.00 #QF 0.27)
&rst
ixpk= 817, nxpk= 0, iat= 883, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1327,1328,1329,
&end
#
# 121 ALA HA 124 MET HG2 4.03 (#peak 820 #SUP 0.99 #QF 0.99)
&rst
ixpk= 820, nxpk= 0, iat=1934,1986, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 121 ALA HA 124 MET HG3 4.03 (#peak 825 #SUP 0.99 #QF 0.99)
&rst
ixpk= 825, nxpk= 0, iat=1934,1987, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 40 GLU HA 41 PRO HB3 4.94 (#peak 842 #SUP 0.87 #QF 0.87)
&rst
ixpk= 842, nxpk= 0, iat= 588, 609, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 24 LYS QB 25 THR HN 3.65 (#peak 851 #SUP 0.99 #QF 0.99)
&rst
ixpk= 851, nxpk= 0, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 333, 334,
&end
#
# 20 ILE QG2 24 LYS QB 4.08 (#peak 856 #SUP 0.89 #QF 0.86)
&rst
ixpk= 856, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 254, 255, 256,
igr2= 333, 334,
&end
#
# 21 LEU QD2 24 LYS QB 4.60 (#peak 856 #SUP 0.89 #QF 0.86)
&rst
ixpk= 856, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 280, 281, 282,
igr2= 333, 334,
&end
#
# 41 PRO HB3 42 VAL HN 4.31 (#peak 859 #SUP 1.00)
&rst
ixpk= 859, nxpk= 0, iat= 609, 615, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 26 LEU QD2 64 LYS HB2 4.18 (#peak 862 #SUP 1.00)
&rst
ixpk= 862, nxpk= 0, iat= -1, 982, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 378, 379, 380,
&end
#
# 39 SER HB2 40 GLU HN 3.93 (#peak 878 #SUP 0.99 #QF 0.99)
&rst
ixpk= 878, nxpk= 0, iat= 579, 586, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 39 SER HN 39 SER HB2 3.45 (#peak 879 #SUP 0.99 #QF 0.99)
&rst
ixpk= 879, nxpk= 0, iat= 575, 579, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 36 ASN HA 39 SER HB2 3.39 (#peak 880 #SUP 1.00 #QF 0.85)
&rst
ixpk= 880, nxpk= 0, iat= 524, 579, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 36 ASN HB3 39 SER HB2 3.98 (#peak 882 #SUP 0.98 #QF 0.98)
&rst
ixpk= 882, nxpk= 0, iat= 527, 579, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 36 ASN HB3 39 SER HB3 4.06 (#peak 883 #SUP 0.96 #QF 0.96)
&rst
ixpk= 883, nxpk= 0, iat= 527, 580, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 39 SER HB3 40 GLU HN 3.70 (#peak 884 #SUP 1.00)
&rst
ixpk= 884, nxpk= 0, iat= 580, 586, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 39 SER HN 39 SER HB3 3.57 (#peak 885 #SUP 1.00)
&rst
ixpk= 885, nxpk= 0, iat= 575, 580, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 39 SER HB3 40 GLU HG3 4.43 (#peak 888 #SUP 1.00)
&rst
ixpk= 888, nxpk= 0, iat= 580, 594, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 40 GLU HB2 41 PRO HD3 4.75 (#peak 903 #SUP 1.00)
&rst
ixpk= 903, nxpk= 0, iat= 590, 603, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 40 GLU HB3 41 PRO HD3 4.06 (#peak 911 #SUP 0.99 #QF 0.99)
&rst
ixpk= 911, nxpk= 0, iat= 591, 603, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 15 SER HN 15 SER HB3 3.78 (#peak 914 #SUP 0.92 #QF 0.92)
&rst
ixpk= 914, nxpk= 0, iat= 180, 185, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 15 SER HB2 16 SER HN 4.22 (#peak 917 #SUP 0.99 #QF 0.99)
&rst
ixpk= 917, nxpk= 0, iat= 184, 191, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 98 ILE HA 98 ILE QG1 3.87 (#peak 921 #SUP 0.97 #QF 0.97)
&rst
ixpk= 921, nxpk= 0, iat=1540, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1548,1549,
&end
#
# 130 SER QB 131 GLY HN 4.49 (#peak 929 #SUP 1.00)
&rst
ixpk= 929, nxpk= 0, iat= -1,2057, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=2050,2051,
&end
#
# 50 TYR HA 92 TYR QE 3.76 (#peak 930 #SUP 0.93 #QF 0.93)
&rst
ixpk= 930, nxpk= 0, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=1455,1460,
&end
#
# 107 ARG HB3 107 ARG HE 5.24 (#peak 936 #SUP 1.00)
&rst
ixpk= 936, nxpk= 0, iat=1706,1714, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 23 ARG QB 67 LEU QD2 4.20 (#peak 942 #SUP 1.00 #QF 0.48)
&rst
ixpk= 942, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 309, 310,
igr2=1044,1045,1046,
&end
#
# 23 ARG QB 24 LYS HN 4.15 (#peak 944 #SUP 1.00)
&rst
ixpk= 944, nxpk= 0, iat= -1, 329, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 309, 310,
&end
#
# 16 SER HB2 17 GLY HN 4.36 (#peak 948 #SUP 0.99 #QF 0.99)
&rst
ixpk= 948, nxpk= 0, iat= 195, 202, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 16 SER HB3 17 GLY HN 4.36 (#peak 953 #SUP 1.00)
&rst
ixpk= 953, nxpk= 0, iat= 196, 202, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 15 SER HB3 16 SER HN 4.22 (#peak 954 #SUP 1.00 #QF 0.32)
&rst
ixpk= 954, nxpk= 0, iat= 185, 191, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 16 SER HB3 19 LEU HB2 4.80 (#peak 957 #SUP 0.98 #QF 0.98)
&rst
ixpk= 957, nxpk= 0, iat= 196, 233, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 115 ARG HN 115 ARG HB2 3.66 (#peak 962 #SUP 0.99 #QF 0.53)
&rst
ixpk= 962, nxpk= 0, iat=1816,1820, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 112 ALA HA 115 ARG HB3 4.06 (#peak 971 #SUP 0.83 #QF 0.83)
&rst
ixpk= 971, nxpk= 0, iat=1773,1821, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 118 ARG HN 118 ARG HB2 3.91 (#peak 985 #SUP 0.99 #QF 0.99)
&rst
ixpk= 985, nxpk= 0, iat=1867,1871, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 115 ARG HA 118 ARG HB2 4.44 (#peak 986 #SUP 0.48 #QF 0.48)
&rst
ixpk= 986, nxpk= 0, iat=1818,1871, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 66 ASN HB3 71 ARG HB3 4.58 (#peak 997 #SUP 1.00)
&rst
ixpk= 997, nxpk= 0, iat=1022,1101, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 107 ARG HB3 108 GLU HN 3.62 (#peak 1004 #SUP 0.91 #QF 0.82)
&rst
ixpk= 1004, nxpk= 0, iat=1706,1725, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 115 ARG HA 118 ARG HB3 4.44 (#peak 1016 #SUP 0.93 #QF 0.42)
&rst
ixpk= 1016, nxpk= 0, iat=1818,1872, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 118 ARG HB3 118 ARG HE 4.64 (#peak 1020 #SUP 1.00)
&rst
ixpk= 1020, nxpk= 0, iat=1872,1880, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 57 PRO HA 88 ASN HD21 4.21 (#peak 1021 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1021, nxpk= 0, iat= 874,1388, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 57 PRO HA 88 ASN HD22 4.21 (#peak 1034 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1034, nxpk= 0, iat= 874,1389, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 25 THR HA 28 GLN HB3 4.52 (#peak 1042 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1042, nxpk= 0, iat= 353, 404, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 41 PRO HA 42 VAL HN 3.26 (#peak 1055 #SUP 0.84 #QF 0.84)
&rst
ixpk= 1055, nxpk= 0, iat= 611, 615, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 37 ILE HA 38 PHE HA 4.78 (#peak 1060 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1060, nxpk= 0, iat= 538, 557, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 37 ILE HA 37 ILE HG13 3.76 (#peak 1062 #SUP 1.00)
&rst
ixpk= 1062, nxpk= 0, iat= 538, 547, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 37 ILE HA 37 ILE HG12 3.76 (#peak 1063 #SUP 1.00)
&rst
ixpk= 1063, nxpk= 0, iat= 538, 546, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 37 ILE HA 37 ILE QD1 3.96 (#peak 1064 #SUP 1.00)
&rst
ixpk= 1064, nxpk= 0, iat= 538, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 549, 550, 551,
&end
#
# 31 GLU HB2 32 LYS HN 4.35 (#peak 1066 #SUP 1.00)
&rst
ixpk= 1066, nxpk= 0, iat= 456, 467, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 75 PHE HA 79 GLU HN 4.71 (#peak 1069 #SUP 1.00)
&rst
ixpk= 1069, nxpk= 0, iat=1176,1238, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 18 PHE QE 75 PHE HA 4.15 (#peak 1070 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1070, nxpk= 0, iat= -1,1176, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 219, 223,
&end
#
# 75 PHE HA 75 PHE QD 3.59 (#peak 1071 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1071, nxpk= 0, iat=1176, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2=1182,1190,
&end
#
# 75 PHE HA 78 PHE HN 4.08 (#peak 1072 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1072, nxpk= 0, iat=1176,1218, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 18 PHE HZ 75 PHE HA 3.84 (#peak 1073 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1073, nxpk= 0, iat= 221,1176, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 75 PHE HA 78 PHE HB2 4.54 (#peak 1075 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1075, nxpk= 0, iat=1176,1222, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 31 GLU HB3 32 LYS HN 4.35 (#peak 1081 #SUP 1.00)
&rst
ixpk= 1081, nxpk= 0, iat= 457, 467, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 56 LYS HD2 84 LEU QD1 4.15 (#peak 1091 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1091, nxpk= 0, iat= 852, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=1323,1324,1325,
&end
#
# 56 LYS HD3 84 LEU QD1 4.15 (#peak 1097 #SUP 1.00)
&rst
ixpk= 1097, nxpk= 0, iat= 853, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=1323,1324,1325,
&end
#
# 20 ILE HN 20 ILE HG13 3.97 (#peak 1098 #SUP 1.00)
&rst
ixpk= 1098, nxpk= 0, iat= 248, 259, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 121 ALA QB 122 GLU HB2 4.58 (#peak 1104 #SUP 0.40 #QF 0.40)
&rst
ixpk= 1104, nxpk= 0, iat= -1,1946, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1936,1937,1938,
&end
#
# 75 PHE QD 79 GLU QB 4.45 (#peak 1106 #SUP 0.96 #QF 0.86)
&rst
ixpk= 1106, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1182,1190,
igr2=1242,1243,
&end
#
# 75 PHE QE 79 GLU QB 4.69 (#peak 1106 #SUP 0.96 #QF 0.86)
&rst
ixpk= 1106, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1=1184,1188,
igr2=1242,1243,
&end
#
# 75 PHE HZ 79 GLU QB 4.56 (#peak 1109 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1109, nxpk= 0, iat=1186, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1242,1243,
&end
#
# 122 GLU HB3 123 LYS HN 4.24 (#peak 1119 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1119, nxpk= 0, iat=1947,1957, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 95 LYS HN 95 LYS QD 4.46 (#peak 1120 #SUP 0.76 #QF 0.76)
&rst
ixpk= 1120, nxpk= 0, iat=1490, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1500,1501,
&end
#
# 79 GLU HN 79 GLU QB 3.41 (#peak 1127 #SUP 0.89 #QF 0.69)
&rst
ixpk= 1127, nxpk= 0, iat=1238, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=1242,1243,
&end
#
# 88 ASN HA 91 LYS QD 4.26 (#peak 1131 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1131, nxpk= 0, iat=1381, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1433,1434,
&end
#
# 91 LYS HA 91 LYS QD 4.20 (#peak 1132 #SUP 1.00)
&rst
ixpk= 1132, nxpk= 0, iat=1425, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1433,1434,
&end
#
# 89 CYS HA 89 CYS HG 3.99 (#peak 1137 #SUP 0.74 #QF 0.74)
&rst
ixpk= 1137, nxpk= 0, iat=1395,1400, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 89 CYS HG 100 TYR HA 4.16 (#peak 1141 #SUP 0.66 #QF 0.28)
&rst
ixpk= 1141, nxpk= 0, iat=1400,1579, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 100 TYR HA 100 TYR QD 4.29 (#peak 1142 #SUP 1.00 #QF 0.77)
&rst
ixpk= 1142, nxpk= 0, iat=1579, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1585,1594,
&end
#
# 80 GLU HB2 81 ASP HN 4.06 (#peak 1146 #SUP 1.00)
&rst
ixpk= 1146, nxpk= 0, iat=1257,1268, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 80 GLU HB3 81 ASP HN 4.06 (#peak 1151 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1151, nxpk= 0, iat=1258,1268, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 26 LEU QD2 64 LYS HD2 4.15 (#peak 1157 #SUP 1.00)
&rst
ixpk= 1157, nxpk= 0, iat= -1, 988, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 378, 379, 380,
&end
#
# 64 LYS HA 64 LYS HD3 4.19 (#peak 1160 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1160, nxpk= 0, iat= 980, 989, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 123 LYS QD 124 MET QB 4.85 (#peak 1161 #SUP 1.00)
&rst
ixpk= 1161, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1967,1968,
igr2=1983,1984,
&end
#
# 60 PHE HA 63 MET HN 4.24 (#peak 1163 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1163, nxpk= 0, iat= 909, 961, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 60 PHE HA 60 PHE QD 3.45 (#peak 1164 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1164, nxpk= 0, iat= 909, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 915, 923,
&end
#
# 39 SER HA 60 PHE QD 3.58 (#peak 1170 #SUP 0.75 #QF 0.75)
&rst
ixpk= 1170, nxpk= 0, iat= 577, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 915, 923,
&end
#
# 61 PHE HA 64 LYS HN 4.24 (#peak 1171 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1171, nxpk= 0, iat= 929, 978, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 61 PHE HA 64 LYS HB2 4.36 (#peak 1174 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1174, nxpk= 0, iat= 929, 982, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 61 PHE HA 64 LYS HB3 4.36 (#peak 1175 #SUP 1.00)
&rst
ixpk= 1175, nxpk= 0, iat= 929, 983, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 45 SER HB2 46 GLU HN 5.19 (#peak 1178 #SUP 0.99 #QF 0.97)
&rst
ixpk= 1178, nxpk= 0, iat= 668, 675, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 87 SER HA 90 LEU HB2 4.88 (#peak 1180 #SUP 1.00 #QF 0.50)
&rst
ixpk= 1180, nxpk= 0, iat=1370,1408, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 87 SER HA 90 LEU HG 4.75 (#peak 1180 #SUP 1.00 #QF 0.50)
&rst
ixpk= 1180, nxpk= 0, iat=1370,1411, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 45 SER HN 45 SER HB3 3.70 (#peak 1181 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1181, nxpk= 0, iat= 664, 669, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 123 LYS HN 123 LYS QD 4.29 (#peak 1184 #SUP 1.00)
&rst
ixpk= 1184, nxpk= 0, iat=1957, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1967,1968,
&end
#
# 123 LYS HA 123 LYS QD 3.89 (#peak 1185 #SUP 1.00)
&rst
ixpk= 1185, nxpk= 0, iat=1959, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1967,1968,
&end
#
# 120 GLN HA 123 LYS QD 3.97 (#peak 1186 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1186, nxpk= 0, iat=1917, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1967,1968,
&end
#
# 39 SER HA 60 PHE HB2 3.95 (#peak 1190 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1190, nxpk= 0, iat= 577, 911, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 87 SER HN 87 SER HB3 4.03 (#peak 1192 #SUP 1.00 #QF 0.98)
&rst
ixpk= 1192, nxpk= 0, iat=1368,1373, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 87 SER HN 87 SER HB2 4.03 (#peak 1196 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1196, nxpk= 0, iat=1368,1372, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 24 LYS QB 24 LYS HD2 4.08 (#peak 1218 #SUP 1.00)
&rst
ixpk= 1218, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 333, 334,
&end
#
# 24 LYS QB 24 LYS HD3 4.08 (#peak 1218 #SUP 1.00)
&rst
ixpk= 1218, nxpk= 0, iat= -1, 340, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 333, 334,
&end
#
# 18 PHE HA 121 ALA QB 4.10 (#peak 1225 #SUP 0.78 #QF 0.78)
&rst
ixpk= 1225, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1936,1937,1938,
&end
#
# 82 PHE HA 82 PHE QD 3.66 (#peak 1228 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1228, nxpk= 0, iat=1282, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1288,1296,
&end
#
# 82 PHE HA 85 ILE HB 4.36 (#peak 1230 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1230, nxpk= 0, iat=1282,1337, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 82 PHE HA 85 ILE QG2 5.50 (#peak 1231 #SUP 0.98 #QF 0.47)
&rst
ixpk= 1231, nxpk= 0, iat=1282, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1339,1340,1341,
&end
#
# 82 PHE HA 85 ILE HG13 5.50 (#peak 1231 #SUP 0.98 #QF 0.47)
&rst
ixpk= 1231, nxpk= 0, iat=1282,1344, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 PRO HA 44 LEU HN 3.05 (#peak 1235 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1235, nxpk= 0, iat= 641, 645, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 43 PRO HA 44 LEU HB2 4.86 (#peak 1239 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1239, nxpk= 0, iat= 641, 649, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 18 PHE HA 21 LEU HN 4.23 (#peak 1241 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1241, nxpk= 0, iat= 211, 267, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 18 PHE HA 18 PHE QD 3.61 (#peak 1242 #SUP 1.00)
&rst
ixpk= 1242, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 217, 225,
&end
#
# 101 ARG HA 101 ARG HG2 3.87 (#peak 1257 #SUP 0.99 #QF 0.71)
&rst
ixpk= 1257, nxpk= 0, iat=1600,1605, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 21 LEU QD1 120 GLN HB3 4.04 (#peak 1260 #SUP 1.00 #QF 0.91)
&rst
ixpk= 1260, nxpk= 0, iat= -1,1920, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 276, 277, 278,
&end
#
# 65 GLN HN 65 GLN HB3 4.18 (#peak 1265 #SUP 1.00)
&rst
ixpk= 1265, nxpk= 0, iat=1000,1005, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 62 THR HA 65 GLN HB3 4.64 (#peak 1267 #SUP 1.00)
&rst
ixpk= 1267, nxpk= 0, iat= 949,1005, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 55 LYS HN 55 LYS QD 4.75 (#peak 1271 #SUP 1.00)
&rst
ixpk= 1271, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 830, 831,
&end
#
# 55 LYS HA 55 LYS QD 3.44 (#peak 1272 #SUP 0.80 #QF 0.80)
&rst
ixpk= 1272, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 830, 831,
&end
#
# 71 ARG HN 71 ARG HG3 5.06 (#peak 1281 #SUP 0.97 #QF 0.31)
&rst
ixpk= 1281, nxpk= 0, iat=1096,1104, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 71 ARG HA 71 ARG HG2 3.95 (#peak 1282 #SUP 0.87 #QF 0.67)
&rst
ixpk= 1282, nxpk= 0, iat=1098,1103, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 113 VAL HA 116 GLN HB3 4.19 (#peak 1293 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1293, nxpk= 0, iat=1783,1845, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 115 ARG HN 116 GLN HB3 5.17 (#peak 1294 #SUP 0.85 #QF 0.85)
&rst
ixpk= 1294, nxpk= 0, iat=1816,1845, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 116 GLN HB3 117 ALA HN 4.06 (#peak 1295 #SUP 1.00)
&rst
ixpk= 1295, nxpk= 0, iat=1845,1857, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 112 ALA QB 116 GLN HB3 4.71 (#peak 1300 #SUP 0.80 #QF 0.80)
&rst
ixpk= 1300, nxpk= 0, iat= -1,1845, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1775,1776,1777,
&end
#
# 116 GLN HB2 117 ALA QB 5.03 (#peak 1306 #SUP 1.00)
&rst
ixpk= 1306, nxpk= 0, iat=1844, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2=1861,1862,1863,
&end
#
# 115 ARG HN 115 ARG HG2 4.70 (#peak 1308 #SUP 1.00)
&rst
ixpk= 1308, nxpk= 0, iat=1816,1823, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 115 ARG HA 115 ARG HG2 3.87 (#peak 1309 #SUP 1.00)
&rst
ixpk= 1309, nxpk= 0, iat=1818,1823, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 30 GLN HN 30 GLN HB2 3.61 (#peak 1315 #SUP 1.00)
&rst
ixpk= 1315, nxpk= 0, iat= 435, 439, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 115 ARG HN 115 ARG HG3 4.70 (#peak 1318 #SUP 1.00)
&rst
ixpk= 1318, nxpk= 0, iat=1816,1824, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 30 GLN HN 30 GLN HB3 3.61 (#peak 1319 #SUP 1.00)
&rst
ixpk= 1319, nxpk= 0, iat= 435, 440, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 115 ARG HG3 116 GLN HN 4.93 (#peak 1321 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1321, nxpk= 0, iat=1824,1840, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 63 MET HA 63 MET HG3 4.00 (#peak 1331 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1331, nxpk= 0, iat= 963, 969, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 63 MET HA 66 ASN HN 4.38 (#peak 1334 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1334, nxpk= 0, iat= 963,1017, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 63 MET HA 72 TYR QE 3.98 (#peak 1335 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1335, nxpk= 0, iat= 963, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=1130,1135,
&end
#
# 63 MET HA 66 ASN HB2 4.07 (#peak 1337 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1337, nxpk= 0, iat= 963,1021, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 63 MET HA 63 MET HG2 4.00 (#peak 1339 #SUP 0.85 #QF 0.85)
&rst
ixpk= 1339, nxpk= 0, iat= 963, 968, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 54 ILE QG2 57 PRO HG2 4.56 (#peak 1342 #SUP 1.00)
&rst
ixpk= 1342, nxpk= 0, iat= -1, 868, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 807, 808, 809,
&end
#
# 115 ARG HG2 116 GLN HN 4.93 (#peak 1346 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1346, nxpk= 0, iat=1823,1840, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 75 PHE QD 118 ARG QG 4.82 (#peak 1352 #SUP 0.99 #QF 0.82)
&rst
ixpk= 1352, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1182,1190,
igr2=1874,1875,
&end
#
# 56 LYS HA 57 PRO HG2 4.93 (#peak 1359 #SUP 1.00)
&rst
ixpk= 1359, nxpk= 0, iat= 844, 868, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 51 LEU QD2 57 PRO HG3 3.68 (#peak 1369 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1369, nxpk= 0, iat= -1, 869, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 766, 767, 768,
&end
#
# 67 LEU HG 72 TYR QD 4.40 (#peak 1370 #SUP 1.00)
&rst
ixpk= 1370, nxpk= 0, iat=1038, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1128,1137,
&end
#
# 26 LEU HN 67 LEU QD1 4.64 (#peak 1376 #SUP 1.00 #QF 0.65)
&rst
ixpk= 1376, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1040,1041,1042,
&end
#
# 23 ARG HN 67 LEU QD1 3.87 (#peak 1377 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1377, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1040,1041,1042,
&end
#
# 67 LEU QD1 72 TYR QD 3.54 (#peak 1378 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1378, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1040,1041,1042,
igr2=1128,1137,
&end
#
# 67 LEU QD1 78 PHE QE 3.64 (#peak 1379 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1379, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=1040,1041,1042,
igr2=1228,1232,
&end
#
# 67 LEU HA 67 LEU QD1 3.68 (#peak 1380 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1380, nxpk= 0, iat=1033, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1040,1041,1042,
&end
#
# 25 THR HB 67 LEU QD1 5.40 (#peak 1381 #SUP 0.85 #QF 0.38)
&rst
ixpk= 1381, nxpk= 0, iat= 355, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2=1040,1041,1042,
&end
#
# 26 LEU HA 67 LEU QD1 5.50 (#peak 1381 #SUP 0.85 #QF 0.38)
&rst
ixpk= 1381, nxpk= 0, iat= 367, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1040,1041,1042,
&end
#
# 64 LYS HA 67 LEU QD1 3.90 (#peak 1382 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1382, nxpk= 0, iat= 980, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1040,1041,1042,
&end
#
# 23 ARG HA 67 LEU QD1 3.34 (#peak 1383 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1383, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1040,1041,1042,
&end
#
# 67 LEU HB2 67 LEU QD1 3.38 (#peak 1385 #SUP 1.00)
&rst
ixpk= 1385, nxpk= 0, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=1040,1041,1042,
&end
#
# 67 LEU HB3 67 LEU QD1 3.38 (#peak 1386 #SUP 1.00)
&rst
ixpk= 1386, nxpk= 0, iat=1036, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=1040,1041,1042,
&end
#
# 22 LEU QD2 67 LEU QD1 3.84 (#peak 1388 #SUP 1.00)
&rst
ixpk= 1388, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 299, 300, 301,
igr2=1040,1041,1042,
&end
#
# 18 PHE QD 19 LEU HG 4.42 (#peak 1391 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1391, nxpk= 0, iat= -1, 236, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 217, 225,
&end
#
# 19 LEU HA 19 LEU HG 4.09 (#peak 1392 #SUP 1.00)
&rst
ixpk= 1392, nxpk= 0, iat= 231, 236, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 98 ILE HN 98 ILE QG1 4.30 (#peak 1395 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1395, nxpk= 0, iat=1538, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1548,1549,
&end
#
# 100 TYR QD 101 ARG HA 4.73 (#peak 1399 #SUP 1.00)
&rst
ixpk= 1399, nxpk= 0, iat= -1,1600, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1585,1594,
&end
#
# 48 PRO QG 49 ASP HN 3.79 (#peak 1402 #SUP 1.00)
&rst
ixpk= 1402, nxpk= 0, iat= -1, 720, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 710, 711,
&end
#
# 119 ARG HN 119 ARG HG2 3.64 (#peak 1410 #SUP 1.00)
&rst
ixpk= 1410, nxpk= 0, iat=1891,1898, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 105 ARG HN 105 ARG HG3 4.64 (#peak 1414 #SUP 1.00)
&rst
ixpk= 1414, nxpk= 0, iat=1658,1666, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 73 LEU HN 73 LEU HG 4.69 (#peak 1419 #SUP 0.87 #QF 0.87)
&rst
ixpk= 1419, nxpk= 0, iat=1141,1148, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 119 ARG HN 119 ARG HG3 3.64 (#peak 1420 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1420, nxpk= 0, iat=1891,1899, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 73 LEU HA 73 LEU HG 3.76 (#peak 1421 #SUP 1.00)
&rst
ixpk= 1421, nxpk= 0, iat=1143,1148, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 16 SER HB3 19 LEU HG 5.04 (#peak 1422 #SUP 1.00 #QF 0.69)
&rst
ixpk= 1422, nxpk= 0, iat= 196, 236, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 23 ARG HA 23 ARG HE 5.13 (#peak 1435 #SUP 0.90 #QF 0.33)
&rst
ixpk= 1435, nxpk= 0, iat= 307, 318, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 23 ARG HA 26 LEU HN 5.33 (#peak 1435 #SUP 0.90 #QF 0.33)
&rst
ixpk= 1435, nxpk= 0, iat= 307, 365, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 23 ARG HA 23 ARG HG2 3.95 (#peak 1440 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1440, nxpk= 0, iat= 307, 312, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 23 ARG HA 26 LEU QD2 4.42 (#peak 1441 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1441, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 378, 379, 380,
&end
#
# 23 ARG HA 23 ARG HG3 3.95 (#peak 1444 #SUP 1.00)
&rst
ixpk= 1444, nxpk= 0, iat= 307, 313, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 78 PHE HA 78 PHE QD 3.76 (#peak 1446 #SUP 1.00)
&rst
ixpk= 1446, nxpk= 0, iat=1220, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=1226,1234,
&end
#
# 101 ARG HA 104 VAL HN 4.00 (#peak 1456 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1456, nxpk= 0, iat=1600,1642, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 101 ARG HA 101 ARG HG3 3.87 (#peak 1459 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1459, nxpk= 0, iat=1600,1606, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 101 ARG HA 104 VAL QG2 3.58 (#peak 1460 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1460, nxpk= 0, iat=1600, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1652,1653,1654,
&end
#
# 115 ARG HA 115 ARG HG3 3.87 (#peak 1466 #SUP 0.98 #QF 0.97)
&rst
ixpk= 1466, nxpk= 0, iat=1818,1824, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 82 PHE QE 107 ARG HA 3.61 (#peak 1467 #SUP 0.69 #QF 0.69)
&rst
ixpk= 1467, nxpk= 0, iat= -1,1703, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1=1290,1294,
&end
#
# 86 VAL QG2 107 ARG HA 3.94 (#peak 1490 #SUP 1.00)
&rst
ixpk= 1490, nxpk= 0, iat= -1,1703, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1=1362,1363,1364,
&end
#
# 75 PHE QD 79 GLU HA 5.34 (#peak 1491 #SUP 0.99 #QF 0.75)
&rst
ixpk= 1491, nxpk= 0, iat= -1,1240, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1182,1190,
&end
#
# 79 GLU HA 82 PHE QD 5.50 (#peak 1491 #SUP 0.99 #QF 0.75)
&rst
ixpk= 1491, nxpk= 0, iat=1240, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1288,1296,
&end
#
# 89 CYS HB3 103 ALA QB 4.01 (#peak 1497 #SUP 0.98 #QF 0.77)
&rst
ixpk= 1497, nxpk= 0, iat=1398, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1636,1637,1638,
&end
#
# 44 LEU HN 44 LEU HG 3.27 (#peak 1498 #SUP 1.00)
&rst
ixpk= 1498, nxpk= 0, iat= 645, 652, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 43 PRO HA 44 LEU HG 4.46 (#peak 1499 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1499, nxpk= 0, iat= 641, 652, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 82 PHE HZ 106 LEU HG 4.42 (#peak 1503 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1503, nxpk= 0, iat=1292,1689, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 16 SER HA 17 GLY HN 3.51 (#peak 1505 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1505, nxpk= 0, iat= 193, 202, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 16 SER HA 19 LEU HG 4.82 (#peak 1507 #SUP 0.84 #QF 0.84)
&rst
ixpk= 1507, nxpk= 0, iat= 193, 236, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 16 SER HA 19 LEU QD1 4.15 (#peak 1508 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1508, nxpk= 0, iat= 193, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 238, 239, 240,
&end
#
# 79 GLU HA 82 PHE HB3 4.08 (#peak 1511 #SUP 0.68 #QF 0.68)
&rst
ixpk= 1511, nxpk= 0, iat=1240,1285, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 79 GLU HA 79 GLU QG 3.47 (#peak 1512 #SUP 1.00)
&rst
ixpk= 1512, nxpk= 0, iat=1240, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=1245,1246,
&end
#
# 84 LEU HN 84 LEU HG 4.75 (#peak 1519 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1519, nxpk= 0, iat=1314,1321, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 26 LEU HN 26 LEU QD2 4.34 (#peak 1524 #SUP 1.00)
&rst
ixpk= 1524, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 378, 379, 380,
&end
#
# 26 LEU QD2 64 LYS HN 3.84 (#peak 1525 #SUP 1.00)
&rst
ixpk= 1525, nxpk= 0, iat= -1, 978, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 378, 379, 380,
&end
#
# 26 LEU HA 26 LEU QD2 4.19 (#peak 1526 #SUP 1.00)
&rst
ixpk= 1526, nxpk= 0, iat= 367, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 378, 379, 380,
&end
#
# 26 LEU QD2 64 LYS HA 3.45 (#peak 1527 #SUP 1.00)
&rst
ixpk= 1527, nxpk= 0, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 378, 379, 380,
&end
#
# 26 LEU HB2 26 LEU QD2 3.61 (#peak 1528 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1528, nxpk= 0, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 378, 379, 380,
&end
#
# 26 LEU QD2 67 LEU QD2 3.62 (#peak 1529 #SUP 0.81 #QF 0.81)
&rst
ixpk= 1529, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 378, 379, 380,
igr2=1044,1045,1046,
&end
#
# 114 LEU HN 114 LEU QD1 4.07 (#peak 1530 #SUP 1.00)
&rst
ixpk= 1530, nxpk= 0, iat=1797, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1806,1807,1808,
&end
#
# 82 PHE QE 114 LEU QD1 3.58 (#peak 1531 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1531, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1290,1294,
igr2=1806,1807,1808,
&end
#
# 82 PHE QD 114 LEU QD1 3.30 (#peak 1532 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1532, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1=1288,1296,
igr2=1806,1807,1808,
&end
#
# 79 GLU QG 114 LEU QD1 3.45 (#peak 1534 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1534, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=1245,1246,
igr2=1806,1807,1808,
&end
#
# 114 LEU HB2 114 LEU QD1 3.45 (#peak 1535 #SUP 1.00)
&rst
ixpk= 1535, nxpk= 0, iat=1801, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2=1806,1807,1808,
&end
#
# 114 LEU HB3 114 LEU QD1 3.50 (#peak 1536 #SUP 1.00)
&rst
ixpk= 1536, nxpk= 0, iat=1802, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1806,1807,1808,
&end
#
# 29 LEU QD1 114 LEU QD1 3.89 (#peak 1538 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1538, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 425, 426, 427,
igr2=1806,1807,1808,
&end
#
# 115 ARG HA 117 ALA HN 5.27 (#peak 1540 #SUP 0.97 #QF 0.96)
&rst
ixpk= 1540, nxpk= 0, iat=1818,1857, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 18 PHE HZ 22 LEU QD1 3.94 (#peak 1552 #SUP 1.00)
&rst
ixpk= 1552, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 295, 296, 297,
&end
#
# 22 LEU QD1 78 PHE QD 3.79 (#peak 1553 #SUP 1.00)
&rst
ixpk= 1553, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 295, 296, 297,
igr2=1226,1234,
&end
#
# 19 LEU QD2 22 LEU QD1 3.36 (#peak 1554 #SUP 0.87 #QF 0.87)
&rst
ixpk= 1554, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 242, 243, 244,
igr2= 295, 296, 297,
&end
#
# 80 GLU HA 83 ASN HD21 3.92 (#peak 1557 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1557, nxpk= 0, iat=1255,1309, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 80 GLU HA 83 ASN HB2 3.61 (#peak 1559 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1559, nxpk= 0, iat=1255,1304, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 101 ARG HA 104 VAL HB 3.87 (#peak 1562 #SUP 1.00)
&rst
ixpk= 1562, nxpk= 0, iat=1600,1646, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 64 LYS HA 67 LEU HN 4.55 (#peak 1564 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1564, nxpk= 0, iat= 980,1031, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 64 LYS HA 64 LYS HD2 4.19 (#peak 1570 #SUP 1.00)
&rst
ixpk= 1570, nxpk= 0, iat= 980, 988, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 64 LYS HA 67 LEU QD2 4.30 (#peak 1572 #SUP 1.00)
&rst
ixpk= 1572, nxpk= 0, iat= 980, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1044,1045,1046,
&end
#
# 90 LEU HA 90 LEU QD1 4.34 (#peak 1576 #SUP 1.00)
&rst
ixpk= 1576, nxpk= 0, iat=1406, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1413,1414,1415,
&end
#
# 87 SER HA 90 LEU QD1 3.78 (#peak 1577 #SUP 0.77 #QF 0.77)
&rst
ixpk= 1577, nxpk= 0, iat=1370, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2=1413,1414,1415,
&end
#
# 90 LEU HB2 90 LEU QD1 3.50 (#peak 1578 #SUP 1.00 #QF 0.97)
&rst
ixpk= 1578, nxpk= 0, iat=1408, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1413,1414,1415,
&end
#
# 90 LEU HB3 90 LEU QD1 3.50 (#peak 1579 #SUP 1.00)
&rst
ixpk= 1579, nxpk= 0, iat=1409, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1413,1414,1415,
&end
#
# 22 LEU HN 22 LEU QD1 4.02 (#peak 1582 #SUP 1.00)
&rst
ixpk= 1582, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 295, 296, 297,
&end
#
# 18 PHE QE 22 LEU QD1 3.50 (#peak 1583 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1583, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 219, 223,
igr2= 295, 296, 297,
&end
#
# 22 LEU QD1 72 TYR QD 4.05 (#peak 1584 #SUP 1.00)
&rst
ixpk= 1584, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 295, 296, 297,
igr2=1128,1137,
&end
#
# 22 LEU QD1 72 TYR HB2 3.83 (#peak 1585 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1585, nxpk= 0, iat= -1,1124, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 295, 296, 297,
&end
#
# 22 LEU QD1 72 TYR HB3 3.83 (#peak 1586 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1586, nxpk= 0, iat= -1,1125, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 295, 296, 297,
&end
#
# 22 LEU HB2 22 LEU QD1 3.59 (#peak 1587 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1587, nxpk= 0, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 295, 296, 297,
&end
#
# 75 PHE QD 118 ARG HA 4.46 (#peak 1597 #SUP 0.98 #QF 0.90)
&rst
ixpk= 1597, nxpk= 0, iat= -1,1869, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=1182,1190,
&end
#
# 75 PHE QE 118 ARG HA 4.73 (#peak 1597 #SUP 0.98 #QF 0.90)
&rst
ixpk= 1597, nxpk= 0, iat= -1,1869, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1184,1188,
&end
#
# 118 ARG HA 118 ARG QG 3.71 (#peak 1598 #SUP 1.00)
&rst
ixpk= 1598, nxpk= 0, iat=1869, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=1874,1875,
&end
#
# 105 ARG HA 108 GLU HN 3.98 (#peak 1600 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1600, nxpk= 0, iat=1660,1725, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 105 ARG HA 108 GLU HB2 3.85 (#peak 1603 #SUP 0.96 #QF 0.91)
&rst
ixpk= 1603, nxpk= 0, iat=1660,1729, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 105 ARG HA 105 ARG HG2 3.86 (#peak 1605 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1605, nxpk= 0, iat=1660,1665, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 105 ARG HA 105 ARG HG3 3.86 (#peak 1606 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1606, nxpk= 0, iat=1660,1666, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 23 ARG HE 67 LEU QD2 4.97 (#peak 1609 #SUP 0.98 #QF 0.38)
&rst
ixpk= 1609, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=1044,1045,1046,
&end
#
# 23 ARG HN 67 LEU QD2 3.73 (#peak 1610 #SUP 1.00)
&rst
ixpk= 1610, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=1044,1045,1046,
&end
#
# 21 LEU QD1 121 ALA HN 3.29 (#peak 1611 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1611, nxpk= 0, iat= -1,1932, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1= 276, 277, 278,
&end
#
# 67 LEU QD2 68 GLU HN 3.71 (#peak 1612 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1612, nxpk= 0, iat= -1,1050, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1=1044,1045,1046,
&end
#
# 21 LEU HN 21 LEU QD1 3.85 (#peak 1613 #SUP 1.00)
&rst
ixpk= 1613, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 276, 277, 278,
&end
#
# 21 LEU QD1 120 GLN HN 4.27 (#peak 1614 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1614, nxpk= 0, iat= -1,1915, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 276, 277, 278,
&end
#
# 18 PHE QD 21 LEU QD1 3.68 (#peak 1615 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1615, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 217, 225,
igr2= 276, 277, 278,
&end
#
# 18 PHE QE 21 LEU QD1 3.89 (#peak 1616 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1616, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 219, 223,
igr2= 276, 277, 278,
&end
#
# 18 PHE HA 21 LEU QD1 3.91 (#peak 1619 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1619, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 276, 277, 278,
&end
#
# 23 ARG HA 67 LEU QD2 3.21 (#peak 1621 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1621, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2=1044,1045,1046,
&end
#
# 21 LEU QD1 120 GLN HG2 5.50 (#peak 1622 #SUP 1.00 #QF 0.95)
&rst
ixpk= 1622, nxpk= 0, iat= -1,1922, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 276, 277, 278,
&end
#
# 21 LEU QD1 120 GLN HB2 3.20 (#peak 1623 #SUP 1.00 #QF 0.94)
&rst
ixpk= 1623, nxpk= 0, iat= -1,1919, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1= 276, 277, 278,
&end
#
# 21 LEU HB2 21 LEU QD1 3.09 (#peak 1624 #SUP 1.00 #QF 0.76)
&rst
ixpk= 1624, nxpk= 0, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr2= 276, 277, 278,
&end
#
# 22 LEU QD1 67 LEU QD2 3.89 (#peak 1625 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1625, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 295, 296, 297,
igr2=1044,1045,1046,
&end
#
# 119 ARG HA 119 ARG QD 4.10 (#peak 1641 #SUP 1.00)
&rst
ixpk= 1641, nxpk= 0, iat=1893, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1901,1902,
&end
#
# 28 GLN HA 28 GLN HG2 3.83 (#peak 1646 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1646, nxpk= 0, iat= 401, 406, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 29 LEU HN 29 LEU HG 4.25 (#peak 1649 #SUP 1.00)
&rst
ixpk= 1649, nxpk= 0, iat= 416, 423, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 51 LEU HA 51 LEU QD1 4.03 (#peak 1671 #SUP 1.00)
&rst
ixpk= 1671, nxpk= 0, iat= 755, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 762, 763, 764,
&end
#
# 15 SER HA 16 SER HN 3.41 (#peak 1677 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1677, nxpk= 0, iat= 182, 191, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 108 GLU HB2 109 GLN HA 4.37 (#peak 1678 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1678, nxpk= 0, iat=1729,1742, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 26 LEU HA 78 PHE HZ 4.08 (#peak 1680 #SUP 1.00)
&rst
ixpk= 1680, nxpk= 0, iat= 367,1230, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 44 LEU HN 44 LEU QD1 4.08 (#peak 1684 #SUP 0.98 #QF 0.95)
&rst
ixpk= 1684, nxpk= 0, iat= 645, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 654, 655, 656,
&end
#
# 44 LEU QD1 48 PRO HA 4.63 (#peak 1685 #SUP 0.52 #QF 0.52)
&rst
ixpk= 1685, nxpk= 0, iat= -1, 716, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 654, 655, 656,
&end
#
# 44 LEU HB2 44 LEU QD1 3.25 (#peak 1687 #SUP 1.00 #QF 0.99)
&rst
ixpk= 1687, nxpk= 0, iat= 649, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2= 654, 655, 656,
&end
#
# 51 LEU HB3 51 LEU QD1 3.83 (#peak 1687 #SUP 1.00 #QF 0.99)
&rst
ixpk= 1687, nxpk= 0, iat= 758, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 762, 763, 764,
&end
#
# 44 LEU HB3 44 LEU QD1 3.39 (#peak 1688 #SUP 1.00)
&rst
ixpk= 1688, nxpk= 0, iat= 650, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 654, 655, 656,
&end
#
# 109 GLN HA 112 ALA HN 4.55 (#peak 1691 #SUP 0.43 #QF 0.43)
&rst
ixpk= 1691, nxpk= 0, iat=1742,1771, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 109 GLN HA 109 GLN HG3 3.64 (#peak 1692 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1692, nxpk= 0, iat=1742,1748, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 32 LYS QD 109 GLN HA 4.41 (#peak 1696 #SUP 0.65 #QF 0.36)
&rst
ixpk= 1696, nxpk= 0, iat= -1,1742, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 477, 478,
&end
#
# 109 GLN HA 112 ALA QB 4.55 (#peak 1696 #SUP 0.65 #QF 0.36)
&rst
ixpk= 1696, nxpk= 0, iat=1742, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=1775,1776,1777,
&end
#
# 122 GLU HA 122 GLU HG2 3.89 (#peak 1699 #SUP 0.99 #QF 0.92)
&rst
ixpk= 1699, nxpk= 0, iat=1944,1949, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 122 GLU HA 122 GLU HG3 3.89 (#peak 1700 #SUP 0.89 #QF 0.85)
&rst
ixpk= 1700, nxpk= 0, iat=1944,1950, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 120 GLN HA 120 GLN HG3 4.19 (#peak 1703 #SUP 0.86 #QF 0.34)
&rst
ixpk= 1703, nxpk= 0, iat=1917,1923, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 65 GLN HA 68 GLU HN 4.24 (#peak 1710 #SUP 0.41 #QF 0.41)
&rst
ixpk= 1710, nxpk= 0, iat=1002,1050, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 116 GLN HA 119 ARG HN 4.17 (#peak 1716 #SUP 0.77 #QF 0.77)
&rst
ixpk= 1716, nxpk= 0, iat=1842,1891, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 26 LEU HA 29 LEU HN 4.54 (#peak 1718 #SUP 0.97 #QF 0.89)
&rst
ixpk= 1718, nxpk= 0, iat= 367, 416, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 116 GLN HA 119 ARG QD 4.32 (#peak 1721 #SUP 0.73 #QF 0.73)
&rst
ixpk= 1721, nxpk= 0, iat=1842, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1901,1902,
&end
#
# 116 GLN HA 116 GLN HG3 3.91 (#peak 1722 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1722, nxpk= 0, iat=1842,1848, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 24 LYS HA 24 LYS QB 2.90 (#peak 1723 #SUP 1.00)
&rst
ixpk= 1723, nxpk= 0, iat= 331, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2= 333, 334,
&end
#
# 114 LEU HA 114 LEU HG 3.61 (#peak 1728 #SUP 0.98 #QF 0.89)
&rst
ixpk= 1728, nxpk= 0, iat=1799,1804, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 114 LEU HA 117 ALA QB 3.76 (#peak 1728 #SUP 0.98 #QF 0.89)
&rst
ixpk= 1728, nxpk= 0, iat=1799, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=1861,1862,1863,
&end
#
# 25 THR QG2 114 LEU HA 4.24 (#peak 1729 #SUP 0.95 #QF 0.90)
&rst
ixpk= 1729, nxpk= 0, iat= -1,1799, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 357, 358, 359,
&end
#
# 18 PHE QD 19 LEU HA 4.32 (#peak 1735 #SUP 0.70 #QF 0.70)
&rst
ixpk= 1735, nxpk= 0, iat= -1, 231, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 217, 225,
&end
#
# 19 LEU HA 22 LEU HN 4.06 (#peak 1737 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1737, nxpk= 0, iat= 231, 286, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 19 LEU HA 22 LEU HG 4.18 (#peak 1740 #SUP 0.83 #QF 0.83)
&rst
ixpk= 1740, nxpk= 0, iat= 231, 293, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 19 LEU HA 22 LEU QD1 4.11 (#peak 1741 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1741, nxpk= 0, iat= 231, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 295, 296, 297,
&end
#
# 91 LYS HG2 91 LYS QE 3.65 (#peak 1744 #SUP 1.00)
&rst
ixpk= 1744, nxpk= 0, iat=1430, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1436,1437,
&end
#
# 54 ILE QD1 91 LYS HG2 4.53 (#peak 1747 #SUP 1.00)
&rst
ixpk= 1747, nxpk= 0, iat= -1,1430, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 814, 815, 816,
&end
#
# 91 LYS HA 91 LYS HG3 3.77 (#peak 1748 #SUP 1.00)
&rst
ixpk= 1748, nxpk= 0, iat=1425,1431, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 91 LYS HG3 91 LYS QE 3.65 (#peak 1749 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1749, nxpk= 0, iat=1431, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1436,1437,
&end
#
# 126 SER HA 126 SER QB 2.99 (#peak 1757 #SUP 1.00 #QF 0.99)
&rst
ixpk= 1757, nxpk= 0, iat=2005, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=2007,2008,
&end
#
# 114 LEU HA 114 LEU QD1 4.42 (#peak 1758 #SUP 1.00)
&rst
ixpk= 1758, nxpk= 0, iat=1799, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1806,1807,1808,
&end
#
# 22 LEU HA 25 THR HG1 4.04 (#peak 1760 #SUP 0.87 #QF 0.87)
&rst
ixpk= 1760, nxpk= 0, iat= 288, 361, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 22 LEU HA 22 LEU QD1 4.51 (#peak 1762 #SUP 1.00)
&rst
ixpk= 1762, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 295, 296, 297,
&end
#
# 22 LEU HA 25 THR HB 3.75 (#peak 1764 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1764, nxpk= 0, iat= 288, 355, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 56 LYS HG2 56 LYS HE3 4.16 (#peak 1765 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1765, nxpk= 0, iat= 849, 856, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 73 LEU HN 73 LEU QD1 4.19 (#peak 1767 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1767, nxpk= 0, iat=1141, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1150,1151,1152,
&end
#
# 29 LEU QD2 60 PHE QE 4.01 (#peak 1769 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1769, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 429, 430, 431,
igr2= 917, 921,
&end
#
# 29 LEU QD2 82 PHE QE 4.52 (#peak 1770 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1770, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 429, 430, 431,
igr2=1290,1294,
&end
#
# 29 LEU QD2 82 PHE QD 4.32 (#peak 1771 #SUP 1.00)
&rst
ixpk= 1771, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 429, 430, 431,
igr2=1288,1296,
&end
#
# 29 LEU QD2 78 PHE QE 3.65 (#peak 1772 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1772, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 429, 430, 431,
igr2=1228,1232,
&end
#
# 29 LEU QD2 78 PHE HZ 3.75 (#peak 1773 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1773, nxpk= 0, iat= -1,1230, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 429, 430, 431,
&end
#
# 26 LEU HA 29 LEU QD2 3.65 (#peak 1774 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1774, nxpk= 0, iat= 367, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 429, 430, 431,
&end
#
# 29 LEU HA 29 LEU QD2 4.22 (#peak 1775 #SUP 1.00)
&rst
ixpk= 1775, nxpk= 0, iat= 418, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 429, 430, 431,
&end
#
# 29 LEU HB2 29 LEU QD2 3.57 (#peak 1776 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1776, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 429, 430, 431,
&end
#
# 29 LEU QD2 114 LEU HG 4.42 (#peak 1777 #SUP 0.97 #QF 0.96)
&rst
ixpk= 1777, nxpk= 0, iat= -1,1804, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 429, 430, 431,
&end
#
# 29 LEU HB3 29 LEU QD2 3.57 (#peak 1778 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1778, nxpk= 0, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 429, 430, 431,
&end
#
# 29 LEU QD2 114 LEU QD2 3.42 (#peak 1780 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1780, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 429, 430, 431,
igr2=1810,1811,1812,
&end
#
# 76 ASP HA 79 GLU QB 3.62 (#peak 1785 #SUP 0.29 #QF 0.29)
&rst
ixpk= 1785, nxpk= 0, iat=1196, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=1242,1243,
&end
#
# 67 LEU HA 72 TYR QD 3.59 (#peak 1788 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1788, nxpk= 0, iat=1033, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2=1128,1137,
&end
#
# 67 LEU HA 67 LEU QD2 4.07 (#peak 1791 #SUP 1.00)
&rst
ixpk= 1791, nxpk= 0, iat=1033, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1044,1045,1046,
&end
#
# 22 LEU HA 25 THR HN 4.16 (#peak 1793 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1793, nxpk= 0, iat= 288, 351, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 64 LYS HN 64 LYS QG 4.13 (#peak 1795 #SUP 1.00)
&rst
ixpk= 1795, nxpk= 0, iat= 978, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 985, 986,
&end
#
# 64 LYS HA 64 LYS QG 3.80 (#peak 1796 #SUP 1.00)
&rst
ixpk= 1796, nxpk= 0, iat= 980, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 985, 986,
&end
#
# 64 LYS QG 65 GLN HA 4.47 (#peak 1797 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1797, nxpk= 0, iat= -1,1002, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 985, 986,
&end
#
# 95 LYS HN 95 LYS HG2 4.24 (#peak 1810 #SUP 1.00)
&rst
ixpk= 1810, nxpk= 0, iat=1490,1497, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 73 LEU HA 73 LEU QD1 3.64 (#peak 1815 #SUP 0.85 #QF 0.85)
&rst
ixpk= 1815, nxpk= 0, iat=1143, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1150,1151,1152,
&end
#
# 73 LEU HB3 73 LEU QD1 3.70 (#peak 1817 #SUP 1.00 #QF 0.24)
&rst
ixpk= 1817, nxpk= 0, iat=1146, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=1150,1151,1152,
&end
#
# 67 LEU HA 72 TYR QE 4.29 (#peak 1821 #SUP 0.99 #QF 0.96)
&rst
ixpk= 1821, nxpk= 0, iat=1033, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1130,1135,
&end
#
# 82 PHE HZ 106 LEU HA 4.58 (#peak 1821 #SUP 0.99 #QF 0.96)
&rst
ixpk= 1821, nxpk= 0, iat=1292,1684, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 67 LEU HA 67 LEU HG 3.64 (#peak 1822 #SUP 1.00 #QF 0.85)
&rst
ixpk= 1822, nxpk= 0, iat=1033,1038, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 106 LEU HA 110 GLY HN 4.33 (#peak 1823 #SUP 0.75 #QF 0.75)
&rst
ixpk= 1823, nxpk= 0, iat=1684,1757, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 106 LEU HA 109 GLN HN 4.31 (#peak 1824 #SUP 0.79 #QF 0.79)
&rst
ixpk= 1824, nxpk= 0, iat=1684,1740, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 106 LEU HA 106 LEU HG 3.80 (#peak 1826 #SUP 1.00)
&rst
ixpk= 1826, nxpk= 0, iat=1684,1689, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 106 LEU HA 106 LEU QD1 4.51 (#peak 1828 #SUP 1.00)
&rst
ixpk= 1828, nxpk= 0, iat=1684, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1691,1692,1693,
&end
#
# 91 LYS HA 91 LYS HG2 3.77 (#peak 1830 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1830, nxpk= 0, iat=1425,1430, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 123 LYS HN 123 LYS HG2 3.83 (#peak 1831 #SUP 1.00)
&rst
ixpk= 1831, nxpk= 0, iat=1957,1964, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 120 GLN HA 123 LYS HG2 4.33 (#peak 1833 #SUP 1.00)
&rst
ixpk= 1833, nxpk= 0, iat=1917,1964, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 61 PHE HA 64 LYS QG 4.91 (#peak 1838 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1838, nxpk= 0, iat= 929, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 985, 986,
&end
#
# 120 GLN HA 123 LYS HG3 4.33 (#peak 1841 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1841, nxpk= 0, iat=1917,1965, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 64 LYS QG 68 GLU HG2 4.34 (#peak 1843 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1843, nxpk= 0, iat= -1,1057, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 985, 986,
&end
#
# 64 LYS QG 68 GLU HG3 4.34 (#peak 1844 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1844, nxpk= 0, iat= -1,1058, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 985, 986,
&end
#
# 26 LEU HN 26 LEU QD1 4.12 (#peak 1847 #SUP 1.00)
&rst
ixpk= 1847, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 374, 375, 376,
&end
#
# 26 LEU QD1 64 LYS HN 3.97 (#peak 1848 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1848, nxpk= 0, iat= -1, 978, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 374, 375, 376,
&end
#
# 26 LEU QD1 60 PHE QD 3.24 (#peak 1849 #SUP 0.91 #QF 0.79)
&rst
ixpk= 1849, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 374, 375, 376,
igr2= 915, 923,
&end
#
# 26 LEU QD1 60 PHE QE 3.61 (#peak 1849 #SUP 0.91 #QF 0.79)
&rst
ixpk= 1849, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 374, 375, 376,
igr2= 917, 921,
&end
#
# 26 LEU QD1 78 PHE QE 3.49 (#peak 1850 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1850, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 374, 375, 376,
igr2=1228,1232,
&end
#
# 26 LEU QD1 78 PHE HZ 3.60 (#peak 1851 #SUP 1.00)
&rst
ixpk= 1851, nxpk= 0, iat= -1,1230, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 374, 375, 376,
&end
#
# 26 LEU QD1 60 PHE HA 4.10 (#peak 1852 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1852, nxpk= 0, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 374, 375, 376,
&end
#
# 26 LEU HA 26 LEU QD1 3.08 (#peak 1853 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1853, nxpk= 0, iat= 367, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 374, 375, 376,
&end
#
# 26 LEU QD1 29 LEU QD2 3.49 (#peak 1854 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1854, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 374, 375, 376,
igr2= 429, 430, 431,
&end
#
# 21 LEU HA 24 LYS QB 3.60 (#peak 1864 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1864, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 333, 334,
&end
#
# 21 LEU HA 21 LEU HG 4.01 (#peak 1866 #SUP 1.00)
&rst
ixpk= 1866, nxpk= 0, iat= 269, 274, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 56 LYS HN 84 LEU QD1 4.70 (#peak 1868 #SUP 1.00)
&rst
ixpk= 1868, nxpk= 0, iat= 842, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=1323,1324,1325,
&end
#
# 84 LEU HN 84 LEU QD1 3.98 (#peak 1870 #SUP 1.00)
&rst
ixpk= 1870, nxpk= 0, iat=1314, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1323,1324,1325,
&end
#
# 81 ASP HA 84 LEU QD1 4.10 (#peak 1871 #SUP 0.70 #QF 0.70)
&rst
ixpk= 1871, nxpk= 0, iat=1270, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1323,1324,1325,
&end
#
# 84 LEU HA 84 LEU QD1 3.37 (#peak 1872 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1872, nxpk= 0, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=1323,1324,1325,
&end
#
# 19 LEU QD1 70 TYR QD 3.82 (#peak 1878 #SUP 0.99 #QF 0.50)
&rst
ixpk= 1878, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 238, 239, 240,
igr2=1083,1092,
&end
#
# 19 LEU QD2 70 TYR QD 4.34 (#peak 1878 #SUP 0.99 #QF 0.50)
&rst
ixpk= 1878, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 242, 243, 244,
igr2=1083,1092,
&end
#
# 19 LEU QD1 70 TYR QE 3.41 (#peak 1879 #SUP 0.57 #QF 0.57)
&rst
ixpk= 1879, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 238, 239, 240,
igr2=1085,1090,
&end
#
# 19 LEU QD2 70 TYR HA 3.73 (#peak 1880 #SUP 0.77 #QF 0.77)
&rst
ixpk= 1880, nxpk= 0, iat= -1,1077, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 242, 243, 244,
&end
#
# 58 MET HB2 84 LEU QD2 4.22 (#peak 1884 #SUP 0.37 #QF 0.37)
&rst
ixpk= 1884, nxpk= 0, iat= 882, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1327,1328,1329,
&end
#
# 29 LEU HA 29 LEU HG 3.92 (#peak 1889 #SUP 1.00)
&rst
ixpk= 1889, nxpk= 0, iat= 418, 423, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 29 LEU HA 106 LEU QD2 4.81 (#peak 1891 #SUP 0.86 #QF 0.53)
&rst
ixpk= 1891, nxpk= 0, iat= 418, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=1695,1696,1697,
&end
#
# 29 LEU HA 113 VAL QG1 4.41 (#peak 1892 #SUP 1.00)
&rst
ixpk= 1892, nxpk= 0, iat= 418, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1787,1788,1789,
&end
#
# 23 ARG HN 24 LYS QG 5.50 (#peak 1897 #SUP 1.00 #QF 0.45)
&rst
ixpk= 1897, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 336, 337,
&end
#
# 55 LYS HG2 56 LYS HN 5.50 (#peak 1897 #SUP 1.00 #QF 0.45)
&rst
ixpk= 1897, nxpk= 0, iat= 827, 842, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 LYS HG3 56 LYS HN 5.50 (#peak 1899 #SUP 1.00)
&rst
ixpk= 1899, nxpk= 0, iat= 828, 842, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 LYS HN 55 LYS HG3 4.47 (#peak 1900 #SUP 1.00)
&rst
ixpk= 1900, nxpk= 0, iat= 820, 828, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 55 LYS HA 55 LYS HG3 3.86 (#peak 1901 #SUP 1.00)
&rst
ixpk= 1901, nxpk= 0, iat= 822, 828, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 64 LYS QG 65 GLN HN 4.37 (#peak 1905 #SUP 1.00)
&rst
ixpk= 1905, nxpk= 0, iat= -1,1000, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 985, 986,
&end
#
# 24 LYS HA 24 LYS QG 3.53 (#peak 1906 #SUP 1.00)
&rst
ixpk= 1906, nxpk= 0, iat= 331, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 336, 337,
&end
#
# 77 ASP HA 80 GLU HB3 3.81 (#peak 1911 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1911, nxpk= 0, iat=1208,1258, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 54 ILE HA 55 LYS HN 3.22 (#peak 1912 #SUP 1.00)
&rst
ixpk= 1912, nxpk= 0, iat= 803, 820, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 77 ASP HA 80 GLU HN 4.17 (#peak 1915 #SUP 1.00)
&rst
ixpk= 1915, nxpk= 0, iat=1208,1253, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 58 MET HN 84 LEU QD2 4.26 (#peak 1926 #SUP 0.73 #QF 0.73)
&rst
ixpk= 1926, nxpk= 0, iat= 878, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1327,1328,1329,
&end
#
# 84 LEU HN 84 LEU QD2 4.45 (#peak 1929 #SUP 1.00)
&rst
ixpk= 1929, nxpk= 0, iat=1314, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1327,1328,1329,
&end
#
# 18 PHE QD 19 LEU QD2 3.56 (#peak 1930 #SUP 0.50 #QF 0.50)
&rst
ixpk= 1930, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 217, 225,
igr2= 242, 243, 244,
&end
#
# 18 PHE QE 19 LEU QD2 4.11 (#peak 1931 #SUP 0.51 #QF 0.51)
&rst
ixpk= 1931, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 219, 223,
igr2= 242, 243, 244,
&end
#
# 19 LEU HA 19 LEU QD2 3.18 (#peak 1936 #SUP 0.56 #QF 0.56)
&rst
ixpk= 1936, nxpk= 0, iat= 231, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 242, 243, 244,
&end
#
# 84 LEU HB2 84 LEU QD2 4.05 (#peak 1938 #SUP 0.99 #QF 0.79)
&rst
ixpk= 1938, nxpk= 0, iat=1318, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1327,1328,1329,
&end
#
# 84 LEU HA 84 LEU HG 4.25 (#peak 1944 #SUP 0.99 #QF 0.78)
&rst
ixpk= 1944, nxpk= 0, iat=1316,1321, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 47 VAL HA 47 VAL QG1 3.29 (#peak 1945 #SUP 1.00)
&rst
ixpk= 1945, nxpk= 0, iat= 692, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 696, 697, 698,
&end
#
# 67 LEU QD2 68 GLU HA 3.30 (#peak 1949 #SUP 0.73 #QF 0.73)
&rst
ixpk= 1949, nxpk= 0, iat= -1,1052, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1044,1045,1046,
&end
#
# 124 MET HA 124 MET HG2 3.99 (#peak 1955 #SUP 1.00)
&rst
ixpk= 1955, nxpk= 0, iat=1981,1986, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 124 MET HA 124 MET HG3 3.99 (#peak 1956 #SUP 1.00)
&rst
ixpk= 1956, nxpk= 0, iat=1981,1987, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 77 ASP HA 80 GLU HB2 3.81 (#peak 1957 #SUP 1.00 #QF 0.55)
&rst
ixpk= 1957, nxpk= 0, iat=1208,1257, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 68 GLU HA 70 TYR HN 4.30 (#peak 1963 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1963, nxpk= 0, iat=1052,1075, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 68 GLU HA 68 GLU HG3 4.19 (#peak 1967 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1967, nxpk= 0, iat=1052,1058, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 68 GLU HA 68 GLU HG2 4.19 (#peak 1968 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1968, nxpk= 0, iat=1052,1057, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 44 LEU HA 44 LEU HG 4.00 (#peak 1970 #SUP 0.98 #QF 0.95)
&rst
ixpk= 1970, nxpk= 0, iat= 647, 652, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 44 LEU HA 47 VAL HB 4.30 (#peak 1970 #SUP 0.98 #QF 0.95)
&rst
ixpk= 1970, nxpk= 0, iat= 647, 694, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 44 LEU HA 44 LEU QD1 3.92 (#peak 1973 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1973, nxpk= 0, iat= 647, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 654, 655, 656,
&end
#
# 71 ARG HA 71 ARG HD3 4.30 (#peak 1983 #SUP 1.00)
&rst
ixpk= 1983, nxpk= 0, iat=1098,1107, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 71 ARG HA 71 ARG HG3 3.95 (#peak 1984 #SUP 0.99 #QF 0.98)
&rst
ixpk= 1984, nxpk= 0, iat=1098,1104, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 114 LEU HN 114 LEU QD2 3.67 (#peak 1987 #SUP 1.00)
&rst
ixpk= 1987, nxpk= 0, iat=1797, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1810,1811,1812,
&end
#
# 114 LEU QD2 115 ARG HN 5.09 (#peak 1988 #SUP 1.00)
&rst
ixpk= 1988, nxpk= 0, iat= -1,1816, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1810,1811,1812,
&end
#
# 75 PHE HZ 114 LEU QD2 3.16 (#peak 1989 #SUP 0.80 #QF 0.80)
&rst
ixpk= 1989, nxpk= 0, iat=1186, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=1810,1811,1812,
&end
#
# 75 PHE QE 114 LEU QD2 3.17 (#peak 1990 #SUP 0.71 #QF 0.71)
&rst
ixpk= 1990, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1184,1188,
igr2=1810,1811,1812,
&end
#
# 78 PHE QE 114 LEU QD2 3.23 (#peak 1991 #SUP 0.83 #QF 0.83)
&rst
ixpk= 1991, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1=1228,1232,
igr2=1810,1811,1812,
&end
#
# 47 VAL QG1 50 TYR QD 3.89 (#peak 1992 #SUP 0.98 #QF 0.53)
&rst
ixpk= 1992, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 696, 697, 698,
igr2= 740, 749,
&end
#
# 78 PHE QD 114 LEU QD2 4.32 (#peak 1992 #SUP 0.98 #QF 0.53)
&rst
ixpk= 1992, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1=1226,1234,
igr2=1810,1811,1812,
&end
#
# 114 LEU HA 114 LEU QD2 2.96 (#peak 1993 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1993, nxpk= 0, iat=1799, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2=1810,1811,1812,
&end
#
# 79 GLU HA 114 LEU QD2 3.92 (#peak 1994 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1994, nxpk= 0, iat=1240, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1810,1811,1812,
&end
#
# 79 GLU QG 114 LEU QD2 3.69 (#peak 1995 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1995, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1=1245,1246,
igr2=1810,1811,1812,
&end
#
# 79 GLU QB 114 LEU QD2 3.68 (#peak 1996 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1996, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1=1242,1243,
igr2=1810,1811,1812,
&end
#
# 21 LEU HB2 21 LEU QD2 3.72 (#peak 1997 #SUP 1.00 #QF 0.22)
&rst
ixpk= 1997, nxpk= 0, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 280, 281, 282,
&end
#
# 114 LEU HB2 114 LEU QD2 3.98 (#peak 1997 #SUP 1.00 #QF 0.22)
&rst
ixpk= 1997, nxpk= 0, iat=1801, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1810,1811,1812,
&end
#
# 29 LEU QD1 114 LEU QD2 3.49 (#peak 1998 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1998, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 425, 426, 427,
igr2=1810,1811,1812,
&end
#
# 104 VAL HN 104 VAL QG2 3.03 (#peak 2004 #SUP 1.00)
&rst
ixpk= 2004, nxpk= 0, iat=1642, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2=1652,1653,1654,
&end
#
# 104 VAL QG2 105 ARG HN 4.15 (#peak 2005 #SUP 1.00)
&rst
ixpk= 2005, nxpk= 0, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1=1652,1653,1654,
&end
#
# 100 TYR QD 104 VAL QG2 3.95 (#peak 2006 #SUP 0.95 #QF 0.95)
&rst
ixpk= 2006, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1585,1594,
igr2=1652,1653,1654,
&end
#
# 100 TYR QE 104 VAL QG2 3.75 (#peak 2007 #SUP 0.69 #QF 0.21)
&rst
ixpk= 2007, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1587,1592,
igr2=1652,1653,1654,
&end
#
# 104 VAL QG2 107 ARG QH2 3.88 (#peak 2007 #SUP 0.69 #QF 0.21)
&rst
ixpk= 2007, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=1652,1653,1654,
igr2=1720,1721,
&end
#
# 104 VAL HA 104 VAL QG2 2.99 (#peak 2009 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2009, nxpk= 0, iat=1644, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1652,1653,1654,
&end
#
# 103 ALA QB 104 VAL QG2 3.69 (#peak 2011 #SUP 1.00)
&rst
ixpk= 2011, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1636,1637,1638,
igr2=1652,1653,1654,
&end
#
# 90 LEU QD2 104 VAL QG2 3.01 (#peak 2012 #SUP 1.00)
&rst
ixpk= 2012, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1=1417,1418,1419,
igr2=1652,1653,1654,
&end
#
# 106 LEU HN 106 LEU QD2 4.22 (#peak 2013 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2013, nxpk= 0, iat=1682, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1695,1696,1697,
&end
#
# 33 ASP HN 106 LEU QD2 3.96 (#peak 2014 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2014, nxpk= 0, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1695,1696,1697,
&end
#
# 32 LYS HN 32 LYS HG3 3.79 (#peak 2015 #SUP 0.79 #QF 0.79)
&rst
ixpk= 2015, nxpk= 0, iat= 467, 475, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 60 PHE QE 106 LEU QD2 3.66 (#peak 2016 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2016, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 917, 921,
igr2=1695,1696,1697,
&end
#
# 82 PHE QE 106 LEU QD2 3.37 (#peak 2017 #SUP 1.00 #QF 0.88)
&rst
ixpk= 2017, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1290,1294,
igr2=1695,1696,1697,
&end
#
# 82 PHE HZ 106 LEU QD2 3.22 (#peak 2017 #SUP 1.00 #QF 0.88)
&rst
ixpk= 2017, nxpk= 0, iat=1292, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=1695,1696,1697,
&end
#
# 106 LEU HA 106 LEU QD2 2.95 (#peak 2019 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2019, nxpk= 0, iat=1684, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2=1695,1696,1697,
&end
#
# 33 ASP HB2 106 LEU QD2 4.32 (#peak 2022 #SUP 1.00)
&rst
ixpk= 2022, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1695,1696,1697,
&end
#
# 33 ASP HB3 106 LEU QD2 4.32 (#peak 2023 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2023, nxpk= 0, iat= 494, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1695,1696,1697,
&end
#
# 90 LEU HA 100 TYR HA 4.50 (#peak 2026 #SUP 0.88 #QF 0.88)
&rst
ixpk= 2026, nxpk= 0, iat=1406,1579, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 106 LEU QD2 110 GLY HN 4.15 (#peak 2028 #SUP 0.94 #QF 0.41)
&rst
ixpk= 2028, nxpk= 0, iat= -1,1757, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1=1695,1696,1697,
&end
#
# 106 LEU QD2 107 ARG HN 4.70 (#peak 2029 #SUP 0.77 #QF 0.77)
&rst
ixpk= 2029, nxpk= 0, iat= -1,1701, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=1695,1696,1697,
&end
#
# 90 LEU HA 100 TYR QD 4.05 (#peak 2034 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2034, nxpk= 0, iat=1406, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1585,1594,
&end
#
# 90 LEU HA 100 TYR QE 3.97 (#peak 2035 #SUP 0.91 #QF 0.91)
&rst
ixpk= 2035, nxpk= 0, iat=1406, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1587,1592,
&end
#
# 90 LEU HA 90 LEU HG 4.15 (#peak 2036 #SUP 1.00)
&rst
ixpk= 2036, nxpk= 0, iat=1406,1411, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 72 TYR HN 73 LEU QD2 4.39 (#peak 2039 #SUP 0.57 #QF 0.35)
&rst
ixpk= 2039, nxpk= 0, iat=1120, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=1154,1155,1156,
&end
#
# 44 LEU QD2 51 LEU HN 4.02 (#peak 2040 #SUP 0.24 #QF 0.24)
&rst
ixpk= 2040, nxpk= 0, iat= -1, 753, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 658, 659, 660,
&end
#
# 21 LEU QD2 120 GLN HN 5.04 (#peak 2042 #SUP 1.00)
&rst
ixpk= 2042, nxpk= 0, iat= -1,1915, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 280, 281, 282,
&end
#
# 21 LEU HA 21 LEU QD2 2.94 (#peak 2043 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2043, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 280, 281, 282,
&end
#
# 21 LEU QD2 120 GLN HG2 4.25 (#peak 2045 #SUP 1.00)
&rst
ixpk= 2045, nxpk= 0, iat= -1,1922, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 280, 281, 282,
&end
#
# 82 PHE HB2 114 LEU QD2 4.01 (#peak 2046 #SUP 0.90 #QF 0.31)
&rst
ixpk= 2046, nxpk= 0, iat=1284, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1810,1811,1812,
&end
#
# 21 LEU QD2 120 GLN HG3 4.50 (#peak 2046 #SUP 0.90 #QF 0.31)
&rst
ixpk= 2046, nxpk= 0, iat= -1,1923, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 280, 281, 282,
&end
#
# 21 LEU QD2 120 GLN HB2 3.51 (#peak 2047 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2047, nxpk= 0, iat= -1,1919, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 280, 281, 282,
&end
#
# 21 LEU QD2 120 GLN HB3 3.07 (#peak 2048 #SUP 0.91 #QF 0.91)
&rst
ixpk= 2048, nxpk= 0, iat= -1,1920, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr1= 280, 281, 282,
&end
#
# 29 LEU HG 114 LEU QD2 4.18 (#peak 2049 #SUP 0.78 #QF 0.38)
&rst
ixpk= 2049, nxpk= 0, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1810,1811,1812,
&end
#
# 44 LEU QD2 47 VAL HB 4.84 (#peak 2049 #SUP 0.78 #QF 0.38)
&rst
ixpk= 2049, nxpk= 0, iat= -1, 694, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 658, 659, 660,
&end
#
# 44 LEU QD2 51 LEU HG 4.59 (#peak 2049 #SUP 0.78 #QF 0.38)
&rst
ixpk= 2049, nxpk= 0, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 658, 659, 660,
&end
#
# 44 LEU QD2 50 TYR HB2 3.80 (#peak 2057 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2057, nxpk= 0, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 658, 659, 660,
&end
#
# 73 LEU HN 73 LEU QD2 3.66 (#peak 2058 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2058, nxpk= 0, iat=1141, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1154,1155,1156,
&end
#
# 73 LEU HA 73 LEU QD2 2.67 (#peak 2059 #SUP 0.95 #QF 0.95)
&rst
ixpk= 2059, nxpk= 0, iat=1143, -1, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
igr2=1154,1155,1156,
&end
#
# 70 TYR HB2 73 LEU QD2 4.48 (#peak 2060 #SUP 0.80 #QF 0.80)
&rst
ixpk= 2060, nxpk= 0, iat=1079, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1154,1155,1156,
&end
#
# 29 LEU QD1 114 LEU HN 3.94 (#peak 2062 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2062, nxpk= 0, iat= -1,1797, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 425, 426, 427,
&end
#
# 29 LEU HN 29 LEU QD1 3.81 (#peak 2063 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2063, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 425, 426, 427,
&end
#
# 29 LEU QD1 82 PHE QE 3.51 (#peak 2064 #SUP 1.00 #QF 0.73)
&rst
ixpk= 2064, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 425, 426, 427,
igr2=1290,1294,
&end
#
# 29 LEU HA 29 LEU QD1 3.07 (#peak 2065 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2065, nxpk= 0, iat= 418, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 425, 426, 427,
&end
#
# 29 LEU QD1 110 GLY HA3 3.37 (#peak 2066 #SUP 0.90 #QF 0.90)
&rst
ixpk= 2066, nxpk= 0, iat= -1,1760, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 425, 426, 427,
&end
#
# 29 LEU QD1 113 VAL HB 3.36 (#peak 2067 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2067, nxpk= 0, iat= -1,1785, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 425, 426, 427,
&end
#
# 29 LEU QD1 114 LEU HG 3.48 (#peak 2069 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2069, nxpk= 0, iat= -1,1804, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 425, 426, 427,
&end
#
# 44 LEU QD2 50 TYR HN 3.91 (#peak 2076 #SUP 0.85 #QF 0.85)
&rst
ixpk= 2076, nxpk= 0, iat= -1, 732, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 658, 659, 660,
&end
#
# 44 LEU HA 44 LEU QD2 2.77 (#peak 2077 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2077, nxpk= 0, iat= 647, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr2= 658, 659, 660,
&end
#
# 44 LEU QD2 50 TYR HB3 3.66 (#peak 2078 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2078, nxpk= 0, iat= -1, 737, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 658, 659, 660,
&end
#
# 44 LEU HB3 44 LEU QD2 3.59 (#peak 2080 #SUP 1.00 #QF 0.57)
&rst
ixpk= 2080, nxpk= 0, iat= 650, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 658, 659, 660,
&end
#
# 42 VAL QG1 44 LEU QD2 3.94 (#peak 2081 #SUP 1.00)
&rst
ixpk= 2081, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 621, 622, 623,
igr2= 658, 659, 660,
&end
#
# 112 ALA HA 115 ARG HB2 4.06 (#peak 2086 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2086, nxpk= 0, iat=1773,1820, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 112 ALA HA 116 GLN HN 4.35 (#peak 2088 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2088, nxpk= 0, iat=1773,1840, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 38 PHE HZ 103 ALA HA 3.90 (#peak 2090 #SUP 0.95 #QF 0.62)
&rst
ixpk= 2090, nxpk= 0, iat= 567,1634, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 34 THR QG2 35 GLY HN 4.01 (#peak 2092 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2092, nxpk= 0, iat= -1, 515, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 507, 508, 509,
&end
#
# 34 THR HN 34 THR QG2 2.96 (#peak 2093 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2093, nxpk= 0, iat= 501, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 507, 508, 509,
&end
#
# 33 ASP HA 34 THR QG2 4.10 (#peak 2094 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2094, nxpk= 0, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 507, 508, 509,
&end
#
# 34 THR HA 34 THR QG2 3.25 (#peak 2096 #SUP 1.00)
&rst
ixpk= 2096, nxpk= 0, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2= 507, 508, 509,
&end
#
# 112 ALA HA 115 ARG HN 4.12 (#peak 2097 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2097, nxpk= 0, iat=1773,1816, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 103 ALA HA 106 LEU HB2 3.72 (#peak 2098 #SUP 0.92 #QF 0.88)
&rst
ixpk= 2098, nxpk= 0, iat=1634,1686, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 18 PHE QD 121 ALA HA 4.41 (#peak 2100 #SUP 0.95 #QF 0.47)
&rst
ixpk= 2100, nxpk= 0, iat= -1,1934, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 217, 225,
&end
#
# 117 ALA HA 119 ARG HN 4.66 (#peak 2101 #SUP 0.88 #QF 0.26)
&rst
ixpk= 2101, nxpk= 0, iat=1859,1891, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 83 ASN HA 86 VAL QG1 4.62 (#peak 2108 #SUP 1.00)
&rst
ixpk= 2108, nxpk= 0, iat=1302, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2=1358,1359,1360,
&end
#
# 62 THR HN 62 THR QG2 4.03 (#peak 2109 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2109, nxpk= 0, iat= 947, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 953, 954, 955,
&end
#
# 59 ASP HN 62 THR QG2 3.81 (#peak 2112 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2112, nxpk= 0, iat= 895, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 953, 954, 955,
&end
#
# 62 THR QG2 66 ASN HD21 3.82 (#peak 2113 #SUP 0.76 #QF 0.76)
&rst
ixpk= 2113, nxpk= 0, iat= -1,1026, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 953, 954, 955,
&end
#
# 62 THR QG2 66 ASN HD22 3.82 (#peak 2114 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2114, nxpk= 0, iat= -1,1027, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 953, 954, 955,
&end
#
# 62 THR QG2 63 MET HA 4.29 (#peak 2115 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2115, nxpk= 0, iat= -1, 963, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 953, 954, 955,
&end
#
# 62 THR HA 62 THR QG2 3.12 (#peak 2117 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2117, nxpk= 0, iat= 949, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 953, 954, 955,
&end
#
# 25 THR HA 113 VAL QG1 3.85 (#peak 2119 #SUP 0.89 #QF 0.89)
&rst
ixpk= 2119, nxpk= 0, iat= 353, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1787,1788,1789,
&end
#
# 82 PHE QD 83 ASN HA 4.17 (#peak 2122 #SUP 0.92 #QF 0.87)
&rst
ixpk= 2122, nxpk= 0, iat= -1,1302, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=1288,1296,
&end
#
# 83 ASN HA 83 ASN HD21 4.48 (#peak 2123 #SUP 1.00)
&rst
ixpk= 2123, nxpk= 0, iat=1302,1309, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 82 PHE QE 83 ASN HA 4.90 (#peak 2124 #SUP 0.92 #QF 0.75)
&rst
ixpk= 2124, nxpk= 0, iat= -1,1302, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1290,1294,
&end
#
# 83 ASN HA 85 ILE HN 5.31 (#peak 2124 #SUP 0.92 #QF 0.75)
&rst
ixpk= 2124, nxpk= 0, iat=1302,1333, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 83 ASN HA 86 VAL HN 4.14 (#peak 2125 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2125, nxpk= 0, iat=1302,1352, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 83 ASN HA 86 VAL HB 3.84 (#peak 2128 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2128, nxpk= 0, iat=1302,1356, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 112 ALA HN 113 VAL QG2 4.46 (#peak 2130 #SUP 1.00)
&rst
ixpk= 2130, nxpk= 0, iat=1771, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2=1791,1792,1793,
&end
#
# 113 VAL QG1 114 LEU HA 3.78 (#peak 2132 #SUP 0.95 #QF 0.95)
&rst
ixpk= 2132, nxpk= 0, iat= -1,1799, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1787,1788,1789,
&end
#
# 113 VAL QG1 114 LEU HN 3.79 (#peak 2135 #SUP 1.00)
&rst
ixpk= 2135, nxpk= 0, iat= -1,1797, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1=1787,1788,1789,
&end
#
# 113 VAL QG1 117 ALA HN 4.43 (#peak 2136 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2136, nxpk= 0, iat= -1,1857, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1787,1788,1789,
&end
#
# 113 VAL HN 113 VAL QG1 3.79 (#peak 2137 #SUP 1.00)
&rst
ixpk= 2137, nxpk= 0, iat=1781, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1787,1788,1789,
&end
#
# 50 TYR HB3 51 LEU QD2 4.55 (#peak 2138 #SUP 1.00 #QF 0.99)
&rst
ixpk= 2138, nxpk= 0, iat= 737, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 766, 767, 768,
&end
#
# 28 GLN HB2 113 VAL QG1 3.53 (#peak 2139 #SUP 1.00 #QF 0.99)
&rst
ixpk= 2139, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1787,1788,1789,
&end
#
# 25 THR QG2 113 VAL QG1 2.97 (#peak 2141 #SUP 0.84 #QF 0.84)
&rst
ixpk= 2141, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 357, 358, 359,
igr2=1787,1788,1789,
&end
#
# 29 LEU QD2 113 VAL QG1 3.83 (#peak 2142 #SUP 1.00)
&rst
ixpk= 2142, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 429, 430, 431,
igr2=1787,1788,1789,
&end
#
# 29 LEU QD1 113 VAL QG1 3.38 (#peak 2143 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2143, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 425, 426, 427,
igr2=1787,1788,1789,
&end
#
# 88 ASN HA 92 TYR HN 4.61 (#peak 2152 #SUP 0.96 #QF 0.25)
&rst
ixpk= 2152, nxpk= 0, iat=1381,1445, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 88 ASN HA 91 LYS QB 3.44 (#peak 2154 #SUP 0.92 #QF 0.92)
&rst
ixpk= 2154, nxpk= 0, iat=1381, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2=1427,1428,
&end
#
# 117 ALA HA 120 GLN HN 4.01 (#peak 2158 #SUP 0.81 #QF 0.81)
&rst
ixpk= 2158, nxpk= 0, iat=1859,1915, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 21 LEU QD1 121 ALA HA 3.35 (#peak 2162 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2162, nxpk= 0, iat= -1,1934, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 276, 277, 278,
&end
#
# 117 ALA HA 120 GLN HG2 4.82 (#peak 2163 #SUP 0.97 #QF 0.75)
&rst
ixpk= 2163, nxpk= 0, iat=1859,1922, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 29 LEU HA 113 VAL QG2 4.07 (#peak 2164 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2164, nxpk= 0, iat= 418, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1791,1792,1793,
&end
#
# 113 VAL QG2 114 LEU HN 3.89 (#peak 2165 #SUP 1.00)
&rst
ixpk= 2165, nxpk= 0, iat= -1,1797, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1=1791,1792,1793,
&end
#
# 29 LEU HN 113 VAL QG2 4.89 (#peak 2166 #SUP 1.00)
&rst
ixpk= 2166, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=1791,1792,1793,
&end
#
# 32 LYS HN 113 VAL QG2 5.50 (#peak 2167 #SUP 1.00 #QF 0.25)
&rst
ixpk= 2167, nxpk= 0, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1791,1792,1793,
&end
#
# 113 VAL HN 113 VAL QG2 3.07 (#peak 2168 #SUP 1.00)
&rst
ixpk= 2168, nxpk= 0, iat=1781, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2=1791,1792,1793,
&end
#
# 28 GLN HA 113 VAL QG2 5.00 (#peak 2169 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2169, nxpk= 0, iat= 401, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1791,1792,1793,
&end
#
# 110 GLY HA3 113 VAL QG2 3.14 (#peak 2170 #SUP 0.99 #QF 0.60)
&rst
ixpk= 2170, nxpk= 0, iat=1760, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1791,1792,1793,
&end
#
# 32 LYS HE2 113 VAL QG2 3.55 (#peak 2171 #SUP 0.87 #QF 0.87)
&rst
ixpk= 2171, nxpk= 0, iat= 480, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2=1791,1792,1793,
&end
#
# 29 LEU QD1 113 VAL QG2 3.43 (#peak 2174 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2174, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 425, 426, 427,
igr2=1791,1792,1793,
&end
#
# 18 PHE QE 73 LEU HA 4.53 (#peak 2175 #SUP 0.82 #QF 0.82)
&rst
ixpk= 2175, nxpk= 0, iat= -1,1143, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 219, 223,
&end
#
# 88 ASN HA 91 LYS HN 4.35 (#peak 2176 #SUP 1.00)
&rst
ixpk= 2176, nxpk= 0, iat=1381,1423, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 32 LYS HA 32 LYS HE2 4.89 (#peak 2181 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2181, nxpk= 0, iat= 469, 480, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 32 LYS HA 32 LYS QD 3.19 (#peak 2184 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2184, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2= 477, 478,
&end
#
# 103 ALA HA 105 ARG HN 4.76 (#peak 2185 #SUP 0.96 #QF 0.38)
&rst
ixpk= 2185, nxpk= 0, iat=1634,1658, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 121 ALA HA 124 MET HN 5.00 (#peak 2185 #SUP 0.96 #QF 0.38)
&rst
ixpk= 2185, nxpk= 0, iat=1934,1979, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 117 ALA HA 120 GLN HB2 4.63 (#peak 2190 #SUP 0.95 #QF 0.72)
&rst
ixpk= 2190, nxpk= 0, iat=1859,1919, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 120 GLN HB2 121 ALA HA 5.32 (#peak 2190 #SUP 0.95 #QF 0.72)
&rst
ixpk= 2190, nxpk= 0, iat=1919,1934, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 25 THR QG2 26 LEU HN 4.10 (#peak 2191 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2191, nxpk= 0, iat= -1, 365, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 357, 358, 359,
&end
#
# 25 THR HN 25 THR QG2 3.93 (#peak 2192 #SUP 0.95 #QF 0.95)
&rst
ixpk= 2192, nxpk= 0, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 357, 358, 359,
&end
#
# 25 THR QG2 75 PHE HZ 3.99 (#peak 2193 #SUP 0.91 #QF 0.91)
&rst
ixpk= 2193, nxpk= 0, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 357, 358, 359,
&end
#
# 25 THR QG2 75 PHE QE 3.80 (#peak 2194 #SUP 0.91 #QF 0.91)
&rst
ixpk= 2194, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 357, 358, 359,
igr2=1184,1188,
&end
#
# 25 THR QG2 78 PHE QE 3.29 (#peak 2195 #SUP 0.93 #QF 0.93)
&rst
ixpk= 2195, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 357, 358, 359,
igr2=1228,1232,
&end
#
# 25 THR QG2 78 PHE HZ 3.77 (#peak 2196 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2196, nxpk= 0, iat= -1,1230, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 357, 358, 359,
&end
#
# 25 THR QG2 25 THR HG1 3.63 (#peak 2197 #SUP 0.84 #QF 0.84)
&rst
ixpk= 2197, nxpk= 0, iat= -1, 361, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 357, 358, 359,
&end
#
# 25 THR HA 25 THR QG2 3.22 (#peak 2199 #SUP 1.00)
&rst
ixpk= 2199, nxpk= 0, iat= 353, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 357, 358, 359,
&end
#
# 22 LEU HA 25 THR QG2 4.16 (#peak 2200 #SUP 1.00)
&rst
ixpk= 2200, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 357, 358, 359,
&end
#
# 25 THR QG2 117 ALA QB 2.95 (#peak 2202 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2202, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 357, 358, 359,
igr2=1861,1862,1863,
&end
#
# 25 THR QG2 29 LEU QD2 3.34 (#peak 2203 #SUP 1.00)
&rst
ixpk= 2203, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 357, 358, 359,
igr2= 429, 430, 431,
&end
#
# 25 THR QG2 29 LEU QD1 4.35 (#peak 2204 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2204, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 357, 358, 359,
igr2= 425, 426, 427,
&end
#
# 51 LEU HN 51 LEU QD2 3.68 (#peak 2205 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2205, nxpk= 0, iat= 753, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 766, 767, 768,
&end
#
# 50 TYR QE 51 LEU QD2 4.27 (#peak 2206 #SUP 0.93 #QF 0.93)
&rst
ixpk= 2206, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 742, 747,
igr2= 766, 767, 768,
&end
#
# 51 LEU QD2 57 PRO HD2 4.37 (#peak 2207 #SUP 1.00)
&rst
ixpk= 2207, nxpk= 0, iat= -1, 865, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 766, 767, 768,
&end
#
# 51 LEU HA 51 LEU QD2 3.04 (#peak 2213 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2213, nxpk= 0, iat= 755, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2= 766, 767, 768,
&end
#
# 51 LEU QD2 57 PRO HG2 3.68 (#peak 2214 #SUP 1.00)
&rst
ixpk= 2214, nxpk= 0, iat= -1, 868, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 766, 767, 768,
&end
#
# 28 GLN HB3 113 VAL QG1 3.53 (#peak 2215 #SUP 1.00 #QF 0.61)
&rst
ixpk= 2215, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1787,1788,1789,
&end
#
# 86 VAL QG1 87 SER HN 3.85 (#peak 2217 #SUP 1.00)
&rst
ixpk= 2217, nxpk= 0, iat= -1,1368, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1358,1359,1360,
&end
#
# 86 VAL QG1 107 ARG HN 3.97 (#peak 2218 #SUP 1.00)
&rst
ixpk= 2218, nxpk= 0, iat= -1,1701, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1358,1359,1360,
&end
#
# 82 PHE QE 86 VAL QG1 4.77 (#peak 2219 #SUP 0.93 #QF 0.93)
&rst
ixpk= 2219, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1=1290,1294,
igr2=1358,1359,1360,
&end
#
# 86 VAL HN 86 VAL QG1 3.85 (#peak 2220 #SUP 1.00)
&rst
ixpk= 2220, nxpk= 0, iat=1352, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1358,1359,1360,
&end
#
# 86 VAL QG1 103 ALA HA 4.28 (#peak 2221 #SUP 0.70 #QF 0.70)
&rst
ixpk= 2221, nxpk= 0, iat= -1,1634, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1358,1359,1360,
&end
#
# 86 VAL QG1 107 ARG HA 3.80 (#peak 2222 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2222, nxpk= 0, iat= -1,1703, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=1358,1359,1360,
&end
#
# 86 VAL QG1 87 SER HA 3.82 (#peak 2223 #SUP 0.89 #QF 0.89)
&rst
ixpk= 2223, nxpk= 0, iat= -1,1370, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1=1358,1359,1360,
&end
#
# 86 VAL HA 86 VAL QG1 3.22 (#peak 2226 #SUP 1.00 #QF 0.99)
&rst
ixpk= 2226, nxpk= 0, iat=1354, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=1358,1359,1360,
&end
#
# 86 VAL QG1 107 ARG HD2 4.13 (#peak 2226 #SUP 1.00 #QF 0.99)
&rst
ixpk= 2226, nxpk= 0, iat= -1,1711, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1=1358,1359,1360,
&end
#
# 86 VAL QG1 107 ARG HB3 3.77 (#peak 2227 #SUP 1.00)
&rst
ixpk= 2227, nxpk= 0, iat= -1,1706, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1358,1359,1360,
&end
#
# 86 VAL QG1 103 ALA QB 3.18 (#peak 2228 #SUP 0.98 #QF 0.91)
&rst
ixpk= 2228, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1=1358,1359,1360,
igr2=1636,1637,1638,
&end
#
# 42 VAL HN 42 VAL QG2 3.14 (#peak 2229 #SUP 0.76 #QF 0.76)
&rst
ixpk= 2229, nxpk= 0, iat= 615, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 625, 626, 627,
&end
#
# 5 ALY HZ 42 VAL QG2 3.56 (#peak 2230 #SUP 0.62 #QF 0.62)
&rst
ixpk= 2230, nxpk= 0, iat= 69, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 625, 626, 627,
&end
#
# 42 VAL QG2 50 TYR QE 4.29 (#peak 2231 #SUP 0.71 #QF 0.71)
&rst
ixpk= 2231, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 625, 626, 627,
igr2= 742, 747,
&end
#
# 41 PRO HA 42 VAL QG2 4.07 (#peak 2232 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2232, nxpk= 0, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 625, 626, 627,
&end
#
# 42 VAL HA 42 VAL QG2 3.27 (#peak 2233 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2233, nxpk= 0, iat= 617, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 625, 626, 627,
&end
#
# 104 VAL QG1 105 ARG QB 4.74 (#peak 2237 #SUP 0.95 #QF 0.95)
&rst
ixpk= 2237, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1=1648,1649,1650,
igr2=1662,1663,
&end
#
# 104 VAL QG1 108 GLU HG3 3.98 (#peak 2238 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2238, nxpk= 0, iat= -1,1733, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1=1648,1649,1650,
&end
#
# 90 LEU QD2 104 VAL QG1 4.58 (#peak 2239 #SUP 1.00)
&rst
ixpk= 2239, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1417,1418,1419,
igr2=1648,1649,1650,
&end
#
# 104 VAL HN 104 VAL QG1 3.85 (#peak 2240 #SUP 1.00)
&rst
ixpk= 2240, nxpk= 0, iat=1642, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1648,1649,1650,
&end
#
# 104 VAL QG1 105 ARG HN 3.97 (#peak 2241 #SUP 1.00)
&rst
ixpk= 2241, nxpk= 0, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1648,1649,1650,
&end
#
# 104 VAL QG1 107 ARG QH2 4.43 (#peak 2242 #SUP 0.97 #QF 0.41)
&rst
ixpk= 2242, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1648,1649,1650,
igr2=1720,1721,
&end
#
# 104 VAL QG1 105 ARG HA 4.01 (#peak 2243 #SUP 1.00)
&rst
ixpk= 2243, nxpk= 0, iat= -1,1660, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1=1648,1649,1650,
&end
#
# 101 ARG HA 104 VAL QG1 4.17 (#peak 2244 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2244, nxpk= 0, iat=1600, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1648,1649,1650,
&end
#
# 104 VAL QG1 107 ARG HB2 4.90 (#peak 2248 #SUP 0.82 #QF 0.82)
&rst
ixpk= 2248, nxpk= 0, iat= -1,1705, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1648,1649,1650,
&end
#
# 86 VAL QG2 87 SER HN 3.79 (#peak 2249 #SUP 1.00)
&rst
ixpk= 2249, nxpk= 0, iat= -1,1368, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1=1362,1363,1364,
&end
#
# 82 PHE QE 86 VAL QG2 3.40 (#peak 2250 #SUP 0.87 #QF 0.87)
&rst
ixpk= 2250, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1290,1294,
igr2=1362,1363,1364,
&end
#
# 86 VAL HN 86 VAL QG2 3.19 (#peak 2251 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2251, nxpk= 0, iat=1352, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=1362,1363,1364,
&end
#
# 83 ASN HA 86 VAL QG2 3.54 (#peak 2252 #SUP 0.96 #QF 0.67)
&rst
ixpk= 2252, nxpk= 0, iat=1302, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2=1362,1363,1364,
&end
#
# 86 VAL HA 86 VAL QG2 3.14 (#peak 2253 #SUP 1.00)
&rst
ixpk= 2253, nxpk= 0, iat=1354, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1362,1363,1364,
&end
#
# 22 LEU QD2 78 PHE QE 3.97 (#peak 2257 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2257, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 299, 300, 301,
igr2=1228,1232,
&end
#
# 18 PHE HZ 22 LEU QD2 3.89 (#peak 2258 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2258, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 299, 300, 301,
&end
#
# 22 LEU HA 22 LEU QD2 3.14 (#peak 2259 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2259, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 299, 300, 301,
&end
#
# 22 LEU QD2 78 PHE HB3 4.40 (#peak 2260 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2260, nxpk= 0, iat= -1,1223, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 299, 300, 301,
&end
#
# 22 LEU HN 22 LEU QD2 3.84 (#peak 2264 #SUP 1.00)
&rst
ixpk= 2264, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 299, 300, 301,
&end
#
# 18 PHE QE 22 LEU QD2 3.62 (#peak 2265 #SUP 0.90 #QF 0.90)
&rst
ixpk= 2265, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 219, 223,
igr2= 299, 300, 301,
&end
#
# 22 LEU QD2 75 PHE QD 3.41 (#peak 2266 #SUP 0.95 #QF 0.90)
&rst
ixpk= 2266, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 299, 300, 301,
igr2=1182,1190,
&end
#
# 22 LEU QD2 75 PHE QE 3.80 (#peak 2266 #SUP 0.95 #QF 0.90)
&rst
ixpk= 2266, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 299, 300, 301,
igr2=1184,1188,
&end
#
# 22 LEU QD2 78 PHE QD 3.78 (#peak 2267 #SUP 1.00)
&rst
ixpk= 2267, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 299, 300, 301,
igr2=1226,1234,
&end
#
# 22 LEU QD2 25 THR HB 4.16 (#peak 2268 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2268, nxpk= 0, iat= -1, 355, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 299, 300, 301,
&end
#
# 22 LEU QD2 75 PHE HA 3.92 (#peak 2269 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2269, nxpk= 0, iat= -1,1176, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 299, 300, 301,
&end
#
# 21 LEU QD1 22 LEU QD2 3.72 (#peak 2271 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2271, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 276, 277, 278,
igr2= 299, 300, 301,
&end
#
# 93 ASN HA 94 ALA HN 3.31 (#peak 2272 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2272, nxpk= 0, iat=1468,1480, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 59 ASP HA 85 ILE QG2 4.09 (#peak 2275 #SUP 0.99 #QF 0.98)
&rst
ixpk= 2275, nxpk= 0, iat= 897, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1339,1340,1341,
&end
#
# 5 ALY HA 47 VAL QG2 3.37 (#peak 2277 #SUP 0.88 #QF 0.88)
&rst
ixpk= 2277, nxpk= 0, iat= 55, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 700, 701, 702,
&end
#
# 42 VAL QG1 47 VAL QG2 3.32 (#peak 2280 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2280, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 621, 622, 623,
igr2= 700, 701, 702,
&end
#
# 56 LYS HA 57 PRO HD3 3.52 (#peak 2282 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2282, nxpk= 0, iat= 844, 866, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 117 ALA QB 118 ARG HN 3.44 (#peak 2286 #SUP 0.95 #QF 0.95)
&rst
ixpk= 2286, nxpk= 0, iat= -1,1867, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1=1861,1862,1863,
&end
#
# 117 ALA HN 117 ALA QB 3.04 (#peak 2287 #SUP 1.00)
&rst
ixpk= 2287, nxpk= 0, iat=1857, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2=1861,1862,1863,
&end
#
# 75 PHE HZ 117 ALA QB 3.45 (#peak 2288 #SUP 0.89 #QF 0.89)
&rst
ixpk= 2288, nxpk= 0, iat=1186, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2=1861,1862,1863,
&end
#
# 75 PHE QE 117 ALA QB 3.45 (#peak 2289 #SUP 0.89 #QF 0.89)
&rst
ixpk= 2289, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=1184,1188,
igr2=1861,1862,1863,
&end
#
# 25 THR HG1 117 ALA QB 4.27 (#peak 2290 #SUP 0.80 #QF 0.80)
&rst
ixpk= 2290, nxpk= 0, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1861,1862,1863,
&end
#
# 113 VAL QG1 117 ALA QB 3.16 (#peak 2293 #SUP 0.71 #QF 0.71)
&rst
ixpk= 2293, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=1787,1788,1789,
igr2=1861,1862,1863,
&end
#
# 114 LEU HN 117 ALA QB 4.66 (#peak 2294 #SUP 0.82 #QF 0.82)
&rst
ixpk= 2294, nxpk= 0, iat=1797, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=1861,1862,1863,
&end
#
# 116 GLN HN 117 ALA QB 4.49 (#peak 2295 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2295, nxpk= 0, iat=1840, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1861,1862,1863,
&end
#
# 94 ALA HN 94 ALA QB 2.98 (#peak 2296 #SUP 1.00)
&rst
ixpk= 2296, nxpk= 0, iat=1480, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2=1484,1485,1486,
&end
#
# 94 ALA QB 95 LYS HN 3.14 (#peak 2297 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2297, nxpk= 0, iat= -1,1490, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1484,1485,1486,
&end
#
# 94 ALA QB 96 ASP HN 4.46 (#peak 2300 #SUP 0.63 #QF 0.63)
&rst
ixpk= 2300, nxpk= 0, iat= -1,1512, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1=1484,1485,1486,
&end
#
# 94 ALA HA 95 LYS HN 3.05 (#peak 2303 #SUP 1.00)
&rst
ixpk= 2303, nxpk= 0, iat=1482,1490, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 74 ASN HA 75 PHE HN 3.35 (#peak 2306 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2306, nxpk= 0, iat=1162,1174, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 18 PHE HZ 74 ASN HA 4.09 (#peak 2308 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2308, nxpk= 0, iat= 221,1162, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 74 ASN HA 75 PHE HB2 4.44 (#peak 2309 #SUP 0.75 #QF 0.75)
&rst
ixpk= 2309, nxpk= 0, iat=1162,1178, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 102 ALA HN 102 ALA QB 2.98 (#peak 2314 #SUP 1.00)
&rst
ixpk= 2314, nxpk= 0, iat=1622, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2=1626,1627,1628,
&end
#
# 38 PHE QE 102 ALA QB 3.29 (#peak 2315 #SUP 0.89 #QF 0.73)
&rst
ixpk= 2315, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 565, 569,
igr2=1626,1627,1628,
&end
#
# 38 PHE HZ 102 ALA QB 3.76 (#peak 2315 #SUP 0.89 #QF 0.73)
&rst
ixpk= 2315, nxpk= 0, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=1626,1627,1628,
&end
#
# 99 PHE HA 102 ALA QB 3.41 (#peak 2317 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2317, nxpk= 0, iat=1559, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1626,1627,1628,
&end
#
# 37 ILE HB 102 ALA QB 4.03 (#peak 2318 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2318, nxpk= 0, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1626,1627,1628,
&end
#
# 37 ILE HG13 102 ALA QB 4.42 (#peak 2319 #SUP 1.00)
&rst
ixpk= 2319, nxpk= 0, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1626,1627,1628,
&end
#
# 37 ILE HG12 102 ALA QB 4.42 (#peak 2320 #SUP 1.00)
&rst
ixpk= 2320, nxpk= 0, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1626,1627,1628,
&end
#
# 37 ILE QG2 102 ALA QB 3.53 (#peak 2322 #SUP 1.00)
&rst
ixpk= 2322, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 542, 543, 544,
igr2=1626,1627,1628,
&end
#
# 103 ALA HN 103 ALA QB 3.13 (#peak 2323 #SUP 1.00 #QF 0.46)
&rst
ixpk= 2323, nxpk= 0, iat=1632, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2=1636,1637,1638,
&end
#
# 103 ALA QB 104 VAL HN 3.45 (#peak 2324 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2324, nxpk= 0, iat= -1,1642, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1=1636,1637,1638,
&end
#
# 38 PHE HZ 103 ALA QB 4.05 (#peak 2325 #SUP 0.95 #QF 0.21)
&rst
ixpk= 2325, nxpk= 0, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1636,1637,1638,
&end
#
# 100 TYR HA 103 ALA QB 3.77 (#peak 2327 #SUP 0.81 #QF 0.81)
&rst
ixpk= 2327, nxpk= 0, iat=1579, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1636,1637,1638,
&end
#
# 89 CYS HB2 103 ALA QB 4.01 (#peak 2328 #SUP 1.00 #QF 0.95)
&rst
ixpk= 2328, nxpk= 0, iat=1397, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1636,1637,1638,
&end
#
# 86 VAL HA 103 ALA QB 3.31 (#peak 2329 #SUP 0.90 #QF 0.90)
&rst
ixpk= 2329, nxpk= 0, iat=1354, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=1636,1637,1638,
&end
#
# 86 VAL QG2 103 ALA QB 3.84 (#peak 2332 #SUP 0.93 #QF 0.93)
&rst
ixpk= 2332, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=1362,1363,1364,
igr2=1636,1637,1638,
&end
#
# 90 LEU QD2 103 ALA QB 3.08 (#peak 2333 #SUP 0.93 #QF 0.93)
&rst
ixpk= 2333, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1417,1418,1419,
igr2=1636,1637,1638,
&end
#
# 112 ALA QB 113 VAL QG2 3.87 (#peak 2334 #SUP 0.88 #QF 0.88)
&rst
ixpk= 2334, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1775,1776,1777,
igr2=1791,1792,1793,
&end
#
# 68 GLU HN 69 ALA QB 4.62 (#peak 2335 #SUP 0.86 #QF 0.86)
&rst
ixpk= 2335, nxpk= 0, iat=1050, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2=1069,1070,1071,
&end
#
# 69 ALA HN 69 ALA QB 2.90 (#peak 2338 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2338, nxpk= 0, iat=1065, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=1069,1070,1071,
&end
#
# 66 ASN HA 69 ALA QB 3.33 (#peak 2340 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2340, nxpk= 0, iat=1019, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1069,1070,1071,
&end
#
# 69 ALA QB 71 ARG HD3 4.21 (#peak 2342 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2342, nxpk= 0, iat= -1,1107, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1069,1070,1071,
&end
#
# 69 ALA HA 70 TYR QD 4.38 (#peak 2344 #SUP 0.95 #QF 0.95)
&rst
ixpk= 2344, nxpk= 0, iat=1067, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1083,1092,
&end
#
# 111 GLY HN 112 ALA QB 4.30 (#peak 2347 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2347, nxpk= 0, iat=1764, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1775,1776,1777,
&end
#
# 112 ALA HN 112 ALA QB 2.78 (#peak 2348 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2348, nxpk= 0, iat=1771, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2=1775,1776,1777,
&end
#
# 112 ALA QB 113 VAL HN 3.26 (#peak 2349 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2349, nxpk= 0, iat= -1,1781, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1=1775,1776,1777,
&end
#
# 112 ALA QB 113 VAL HA 4.13 (#peak 2352 #SUP 1.00)
&rst
ixpk= 2352, nxpk= 0, iat= -1,1783, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1=1775,1776,1777,
&end
#
# 112 ALA QB 113 VAL QG1 4.97 (#peak 2353 #SUP 1.00)
&rst
ixpk= 2353, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr1=1775,1776,1777,
igr2=1787,1788,1789,
&end
#
# 69 ALA QB 71 ARG HE 4.82 (#peak 2354 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2354, nxpk= 0, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1=1069,1070,1071,
&end
#
# 121 ALA HN 121 ALA QB 2.91 (#peak 2361 #SUP 1.00)
&rst
ixpk= 2361, nxpk= 0, iat=1932, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2=1936,1937,1938,
&end
#
# 121 ALA QB 122 GLU HN 3.33 (#peak 2362 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2362, nxpk= 0, iat= -1,1942, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1936,1937,1938,
&end
#
# 121 ALA QB 123 LYS HN 5.33 (#peak 2363 #SUP 0.99 #QF 0.96)
&rst
ixpk= 2363, nxpk= 0, iat= -1,1957, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1=1936,1937,1938,
&end
#
# 18 PHE QE 121 ALA QB 3.48 (#peak 2364 #SUP 0.93 #QF 0.93)
&rst
ixpk= 2364, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 219, 223,
igr2=1936,1937,1938,
&end
#
# 75 PHE QD 121 ALA QB 3.27 (#peak 2365 #SUP 0.92 #QF 0.92)
&rst
ixpk= 2365, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1182,1190,
igr2=1936,1937,1938,
&end
#
# 75 PHE HB2 121 ALA QB 3.69 (#peak 2368 #SUP 0.89 #QF 0.89)
&rst
ixpk= 2368, nxpk= 0, iat=1178, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=1936,1937,1938,
&end
#
# 118 ARG HA 121 ALA QB 3.46 (#peak 2369 #SUP 0.83 #QF 0.83)
&rst
ixpk= 2369, nxpk= 0, iat=1869, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=1936,1937,1938,
&end
#
# 120 GLN HB2 121 ALA QB 4.00 (#peak 2371 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2371, nxpk= 0, iat=1919, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1936,1937,1938,
&end
#
# 21 LEU QD1 121 ALA QB 2.97 (#peak 2373 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2373, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 276, 277, 278,
igr2=1936,1937,1938,
&end
#
# 47 VAL HA 48 PRO HD3 3.33 (#peak 2375 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2375, nxpk= 0, iat= 692, 708, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 47 VAL HA 48 PRO HD2 3.33 (#peak 2376 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2376, nxpk= 0, iat= 692, 707, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 40 GLU HB3 41 PRO HD2 3.95 (#peak 2379 #SUP 1.00 #QF 0.95)
&rst
ixpk= 2379, nxpk= 0, iat= 591, 602, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 51 LEU QD2 57 PRO HD3 4.37 (#peak 2389 #SUP 1.00)
&rst
ixpk= 2389, nxpk= 0, iat= -1, 866, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 766, 767, 768,
&end
#
# 56 LYS HA 57 PRO HD2 3.52 (#peak 2390 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2390, nxpk= 0, iat= 844, 865, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 18 PHE HN 124 MET QE 3.42 (#peak 2396 #SUP 0.92 #QF 0.92)
&rst
ixpk= 2396, nxpk= 0, iat= 209, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1990,1991,1992,
&end
#
# 18 PHE HA 124 MET QE 2.94 (#peak 2397 #SUP 0.93 #QF 0.93)
&rst
ixpk= 2397, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1990,1991,1992,
&end
#
# 21 LEU QD1 124 MET QE 2.54 (#peak 2398 #SUP 0.84 #QF 0.84)
&rst
ixpk= 2398, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1= 276, 277, 278,
igr2=1990,1991,1992,
&end
#
# 17 GLY HN 124 MET QE 4.68 (#peak 2399 #SUP 0.71 #QF 0.71)
&rst
ixpk= 2399, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=1990,1991,1992,
&end
#
# 18 PHE QD 124 MET QE 3.55 (#peak 2400 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2400, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 217, 225,
igr2=1990,1991,1992,
&end
#
# 121 ALA HA 124 MET QE 3.02 (#peak 2401 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2401, nxpk= 0, iat=1934, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2=1990,1991,1992,
&end
#
# 20 ILE QG2 21 LEU HN 3.85 (#peak 2405 #SUP 1.00)
&rst
ixpk= 2405, nxpk= 0, iat= -1, 267, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 254, 255, 256,
&end
#
# 20 ILE QG2 21 LEU HA 3.82 (#peak 2406 #SUP 0.95 #QF 0.95)
&rst
ixpk= 2406, nxpk= 0, iat= -1, 269, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 254, 255, 256,
&end
#
# 20 ILE HA 20 ILE QG2 3.11 (#peak 2407 #SUP 1.00)
&rst
ixpk= 2407, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 254, 255, 256,
&end
#
# 20 ILE QG2 20 ILE HG12 3.34 (#peak 2410 #SUP 1.00)
&rst
ixpk= 2410, nxpk= 0, iat= -1, 258, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1= 254, 255, 256,
&end
#
# 20 ILE QG2 24 LYS QG 3.59 (#peak 2411 #SUP 0.92 #QF 0.92)
&rst
ixpk= 2411, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 254, 255, 256,
igr2= 336, 337,
&end
#
# 20 ILE QG2 20 ILE HG13 3.34 (#peak 2412 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2412, nxpk= 0, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1= 254, 255, 256,
&end
#
# 127 GLY HA3 128 PRO HD2 3.49 (#peak 2414 #SUP 0.93 #QF 0.88)
&rst
ixpk= 2414, nxpk= 0, iat=2017,2022, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 127 GLY HA3 128 PRO HD3 3.49 (#peak 2417 #SUP 0.95 #QF 0.90)
&rst
ixpk= 2417, nxpk= 0, iat=2017,2023, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 127 GLY HA3 128 PRO HD3 3.49 (#peak 2417 #SUP 0.95 #QF 0.90)
&rst
ixpk= 2417, nxpk= 0, iat=2017,2023, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 54 ILE QG2 56 LYS HN 3.38 (#peak 2420 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2420, nxpk= 0, iat= -1, 842, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 807, 808, 809,
&end
#
# 54 ILE QG2 55 LYS HN 3.59 (#peak 2421 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2421, nxpk= 0, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 807, 808, 809,
&end
#
# 54 ILE QG2 88 ASN HD22 3.98 (#peak 2422 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2422, nxpk= 0, iat= -1,1389, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 807, 808, 809,
&end
#
# 54 ILE QG2 88 ASN HD21 3.98 (#peak 2423 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2423, nxpk= 0, iat= -1,1388, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 807, 808, 809,
&end
#
# 50 TYR QE 54 ILE QG2 3.87 (#peak 2424 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2424, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 742, 747,
igr2= 807, 808, 809,
&end
#
# 54 ILE HA 54 ILE QG2 3.59 (#peak 2425 #SUP 0.99 #QF 0.96)
&rst
ixpk= 2425, nxpk= 0, iat= 803, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 807, 808, 809,
&end
#
# 54 ILE QG2 57 PRO HA 3.81 (#peak 2425 #SUP 0.99 #QF 0.96)
&rst
ixpk= 2425, nxpk= 0, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 807, 808, 809,
&end
#
# 54 ILE QG2 88 ASN HB2 4.42 (#peak 2427 #SUP 1.00)
&rst
ixpk= 2427, nxpk= 0, iat= -1,1383, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 807, 808, 809,
&end
#
# 54 ILE QG2 88 ASN HB3 4.42 (#peak 2428 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2428, nxpk= 0, iat= -1,1384, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 807, 808, 809,
&end
#
# 54 ILE QG2 57 PRO HB2 4.61 (#peak 2429 #SUP 1.00)
&rst
ixpk= 2429, nxpk= 0, iat= -1, 871, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 807, 808, 809,
&end
#
# 54 ILE QG2 57 PRO HB3 4.61 (#peak 2430 #SUP 1.00)
&rst
ixpk= 2430, nxpk= 0, iat= -1, 872, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 807, 808, 809,
&end
#
# 54 ILE QG2 91 LYS QB 5.04 (#peak 2431 #SUP 0.98 #QF 0.75)
&rst
ixpk= 2431, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 807, 808, 809,
igr2=1427,1428,
&end
#
# 54 ILE QG2 55 LYS HB2 4.91 (#peak 2432 #SUP 0.99 #QF 0.84)
&rst
ixpk= 2432, nxpk= 0, iat= -1, 824, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 807, 808, 809,
&end
#
# 54 ILE QG2 91 LYS QD 5.29 (#peak 2432 #SUP 0.99 #QF 0.84)
&rst
ixpk= 2432, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr1= 807, 808, 809,
igr2=1433,1434,
&end
#
# 54 ILE QG2 54 ILE QD1 3.08 (#peak 2435 #SUP 1.00)
&rst
ixpk= 2435, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 807, 808, 809,
igr2= 814, 815, 816,
&end
#
# 63 MET QE 82 PHE HN 3.35 (#peak 2436 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2436, nxpk= 0, iat= -1,1280, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 972, 973, 974,
&end
#
# 63 MET QE 78 PHE QE 3.20 (#peak 2437 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2437, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 972, 973, 974,
igr2=1228,1232,
&end
#
# 63 MET QE 78 PHE HZ 3.70 (#peak 2438 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2438, nxpk= 0, iat= -1,1230, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 972, 973, 974,
&end
#
# 63 MET QE 78 PHE QD 3.36 (#peak 2439 #SUP 0.92 #QF 0.92)
&rst
ixpk= 2439, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 972, 973, 974,
igr2=1226,1234,
&end
#
# 63 MET HA 63 MET QE 3.97 (#peak 2440 #SUP 1.00)
&rst
ixpk= 2440, nxpk= 0, iat= 963, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 972, 973, 974,
&end
#
# 63 MET QE 82 PHE HA 3.85 (#peak 2441 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2441, nxpk= 0, iat= -1,1282, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 972, 973, 974,
&end
#
# 63 MET QE 78 PHE HA 3.79 (#peak 2442 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2442, nxpk= 0, iat= -1,1220, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 972, 973, 974,
&end
#
# 63 MET QE 82 PHE HB3 4.23 (#peak 2443 #SUP 1.00)
&rst
ixpk= 2443, nxpk= 0, iat= -1,1285, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 972, 973, 974,
&end
#
# 63 MET QE 82 PHE HB2 3.26 (#peak 2445 #SUP 0.89 #QF 0.89)
&rst
ixpk= 2445, nxpk= 0, iat= -1,1284, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 972, 973, 974,
&end
#
# 82 PHE HB2 85 ILE QD1 4.43 (#peak 2447 #SUP 0.72 #QF 0.72)
&rst
ixpk= 2447, nxpk= 0, iat=1284, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1346,1347,1348,
&end
#
# 63 MET HB3 85 ILE QD1 5.50 (#peak 2448 #SUP 0.68 #QF 0.45)
&rst
ixpk= 2448, nxpk= 0, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1346,1347,1348,
&end
#
# 82 PHE HA 85 ILE QD1 3.67 (#peak 2450 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2450, nxpk= 0, iat=1282, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1346,1347,1348,
&end
#
# 59 ASP HA 85 ILE QD1 3.73 (#peak 2451 #SUP 1.00)
&rst
ixpk= 2451, nxpk= 0, iat= 897, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=1346,1347,1348,
&end
#
# 82 PHE QD 85 ILE QD1 3.92 (#peak 2452 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2452, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1288,1296,
igr2=1346,1347,1348,
&end
#
# 85 ILE HN 85 ILE QD1 3.65 (#peak 2453 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2453, nxpk= 0, iat=1333, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1346,1347,1348,
&end
#
# 60 PHE QD 85 ILE QD1 4.75 (#peak 2454 #SUP 0.98 #QF 0.81)
&rst
ixpk= 2454, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 915, 923,
igr2=1346,1347,1348,
&end
#
# 82 PHE HN 85 ILE QD1 5.33 (#peak 2454 #SUP 0.98 #QF 0.81)
&rst
ixpk= 2454, nxpk= 0, iat=1280, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2=1346,1347,1348,
&end
#
# 60 PHE HN 85 ILE QD1 4.39 (#peak 2455 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2455, nxpk= 0, iat= 907, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=1346,1347,1348,
&end
#
# 58 MET QE 72 TYR HH 3.88 (#peak 2456 #SUP 0.57 #QF 0.57)
&rst
ixpk= 2456, nxpk= 0, iat= -1,1133, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 889, 890, 891,
&end
#
# 98 ILE HB 98 ILE QD1 3.35 (#peak 2457 #SUP 1.00)
&rst
ixpk= 2457, nxpk= 0, iat=1542, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=1551,1552,1553,
&end
#
# 98 ILE HA 98 ILE QD1 4.00 (#peak 2458 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2458, nxpk= 0, iat=1540, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1551,1552,1553,
&end
#
# 98 ILE QD1 99 PHE HA 5.08 (#peak 2459 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2459, nxpk= 0, iat= -1,1559, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1=1551,1552,1553,
&end
#
# 98 ILE QD1 99 PHE QD 4.46 (#peak 2460 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2460, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1=1551,1552,1553,
igr2=1565,1573,
&end
#
# 98 ILE QD1 99 PHE HZ 5.20 (#peak 2461 #SUP 1.00)
&rst
ixpk= 2461, nxpk= 0, iat= -1,1569, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1=1551,1552,1553,
&end
#
# 98 ILE QD1 99 PHE QE 3.98 (#peak 2462 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2462, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1551,1552,1553,
igr2=1567,1571,
&end
#
# 98 ILE HN 98 ILE QD1 4.53 (#peak 2463 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2463, nxpk= 0, iat=1538, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1551,1552,1553,
&end
#
# 20 ILE QD1 21 LEU HN 4.93 (#peak 2464 #SUP 1.00)
&rst
ixpk= 2464, nxpk= 0, iat= -1, 267, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 261, 262, 263,
&end
#
# 37 ILE QD1 99 PHE HA 3.52 (#peak 2469 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2469, nxpk= 0, iat= -1,1559, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 549, 550, 551,
&end
#
# 35 GLY HA3 37 ILE QD1 4.17 (#peak 2470 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2470, nxpk= 0, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 549, 550, 551,
&end
#
# 37 ILE QD1 99 PHE QD 3.33 (#peak 2471 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2471, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 549, 550, 551,
igr2=1565,1573,
&end
#
# 37 ILE QD1 38 PHE QE 3.71 (#peak 2472 #SUP 0.82 #QF 0.82)
&rst
ixpk= 2472, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 549, 550, 551,
igr2= 565, 569,
&end
#
# 37 ILE QD1 99 PHE HZ 4.89 (#peak 2473 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2473, nxpk= 0, iat= -1,1569, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 549, 550, 551,
&end
#
# 37 ILE QD1 99 PHE QE 3.51 (#peak 2474 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2474, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 549, 550, 551,
igr2=1567,1571,
&end
#
# 37 ILE QD1 102 ALA HN 4.50 (#peak 2475 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2475, nxpk= 0, iat= -1,1622, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 549, 550, 551,
&end
#
# 35 GLY HN 37 ILE QD1 4.61 (#peak 2476 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2476, nxpk= 0, iat= 515, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 549, 550, 551,
&end
#
# 37 ILE HN 37 ILE QD1 3.72 (#peak 2477 #SUP 1.00)
&rst
ixpk= 2477, nxpk= 0, iat= 536, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 549, 550, 551,
&end
#
# 37 ILE QD1 38 PHE HN 4.74 (#peak 2478 #SUP 1.00)
&rst
ixpk= 2478, nxpk= 0, iat= -1, 555, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 549, 550, 551,
&end
#
# 37 ILE HB 37 ILE QD1 3.19 (#peak 2480 #SUP 1.00)
&rst
ixpk= 2480, nxpk= 0, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 549, 550, 551,
&end
#
# 107 ARG HD2 107 ARG HH12 4.76 (#peak 2482 #SUP 1.00 #QF 0.60)
&rst
ixpk= 2482, nxpk= 0, iat=1711,1718, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 107 ARG HD2 107 ARG HH11 4.76 (#peak 2483 #SUP 0.80 #QF 0.80)
&rst
ixpk= 2483, nxpk= 0, iat=1711,1717, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 107 ARG HD3 107 ARG HH11 4.76 (#peak 2484 #SUP 1.00)
&rst
ixpk= 2484, nxpk= 0, iat=1712,1717, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 59 ASP HB3 60 PHE HN 4.26 (#peak 2485 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2485, nxpk= 0, iat= 900, 907, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 81 ASP HA 84 LEU HB2 4.65 (#peak 2488 #SUP 0.93 #QF 0.93)
&rst
ixpk= 2488, nxpk= 0, iat=1270,1318, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 81 ASP HA 84 LEU HB3 4.65 (#peak 2489 #SUP 0.90 #QF 0.90)
&rst
ixpk= 2489, nxpk= 0, iat=1270,1319, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 26 LEU HB2 78 PHE HZ 4.60 (#peak 2491 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2491, nxpk= 0, iat= 369,1230, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 26 LEU HB2 78 PHE QE 4.60 (#peak 2492 #SUP 1.00)
&rst
ixpk= 2492, nxpk= 0, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1228,1232,
&end
#
# 26 LEU HB3 27 GLU HN 4.54 (#peak 2493 #SUP 1.00)
&rst
ixpk= 2493, nxpk= 0, iat= 370, 384, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 7 GLY QA 53 HID HE1 4.78 (#peak 2494 #SUP 0.43 #QF 0.43)
&rst
ixpk= 2494, nxpk= 0, iat= -1, 794, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 88, 89,
&end
#
# 98 ILE HN 98 ILE HB 3.69 (#peak 2496 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2496, nxpk= 0, iat=1538,1542, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 27 GLU HA 30 GLN HG3 4.67 (#peak 2504 #SUP 0.95 #QF 0.95)
&rst
ixpk= 2504, nxpk= 0, iat= 386, 443, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 27 GLU HA 30 GLN HG2 4.67 (#peak 2505 #SUP 0.91 #QF 0.91)
&rst
ixpk= 2505, nxpk= 0, iat= 386, 442, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 30 GLN HG2 60 PHE QD 5.50 (#peak 2507 #SUP 0.97 #QF 0.93)
&rst
ixpk= 2507, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 915, 923,
&end
#
# 30 GLN HG2 60 PHE QE 5.50 (#peak 2507 #SUP 0.97 #QF 0.93)
&rst
ixpk= 2507, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 917, 921,
&end
#
# 90 LEU QD1 104 VAL HA 4.73 (#peak 2511 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2511, nxpk= 0, iat= -1,1644, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1413,1414,1415,
&end
#
# 86 VAL QG1 104 VAL HA 4.67 (#peak 2512 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2512, nxpk= 0, iat= -1,1644, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1358,1359,1360,
&end
#
# 5 ALY QE 99 PHE QE 5.42 (#peak 2513 #SUP 1.00 #QF 0.98)
&rst
ixpk= 2513, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr1= 66, 67,
igr2=1567,1571,
&end
#
# 5 ALY QI 38 PHE QD 4.81 (#peak 2516 #SUP 0.75 #QF 0.75)
&rst
ixpk= 2516, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 73, 74, 75,
igr2= 563, 571,
&end
#
# 38 PHE QD 106 LEU QD1 4.65 (#peak 2517 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2517, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 563, 571,
igr2=1691,1692,1693,
&end
#
# 78 PHE QD 79 GLU HN 4.17 (#peak 2523 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2523, nxpk= 0, iat= -1,1238, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=1226,1234,
&end
#
# 72 TYR QE 78 PHE QD 4.86 (#peak 2524 #SUP 0.95 #QF 0.50)
&rst
ixpk= 2524, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1130,1135,
igr2=1226,1234,
&end
#
# 75 PHE QE 78 PHE QD 5.17 (#peak 2524 #SUP 0.95 #QF 0.50)
&rst
ixpk= 2524, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=1184,1188,
igr2=1226,1234,
&end
#
# 72 TYR QD 78 PHE QD 4.56 (#peak 2525 #SUP 0.65 #QF 0.65)
&rst
ixpk= 2525, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1128,1137,
igr2=1226,1234,
&end
#
# 44 LEU QD2 50 TYR QD 4.58 (#peak 2530 #SUP 0.98 #QF 0.53)
&rst
ixpk= 2530, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 658, 659, 660,
igr2= 740, 749,
&end
#
# 21 LEU QD1 75 PHE QD 5.14 (#peak 2541 #SUP 0.86 #QF 0.60)
&rst
ixpk= 2541, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 276, 277, 278,
igr2=1182,1190,
&end
#
# 75 PHE QD 114 LEU QD2 5.50 (#peak 2541 #SUP 0.86 #QF 0.60)
&rst
ixpk= 2541, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1182,1190,
igr2=1810,1811,1812,
&end
#
# 97 THR HB 99 PHE QD 4.16 (#peak 2559 #SUP 1.00)
&rst
ixpk= 2559, nxpk= 0, iat=1528, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1565,1573,
&end
#
# 5 ALY QI 99 PHE QD 4.28 (#peak 2563 #SUP 1.00)
&rst
ixpk= 2563, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 73, 74, 75,
igr2=1565,1573,
&end
#
# 29 LEU HG 82 PHE QE 4.39 (#peak 2565 #SUP 0.97 #QF 0.87)
&rst
ixpk= 2565, nxpk= 0, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2=1290,1294,
&end
#
# 38 PHE QE 89 CYS HG 4.74 (#peak 2565 #SUP 0.97 #QF 0.87)
&rst
ixpk= 2565, nxpk= 0, iat= -1,1400, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 565, 569,
&end
#
# 38 PHE QE 85 ILE QG2 5.50 (#peak 2570 #SUP 0.96 #QF 0.75)
&rst
ixpk= 2570, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 565, 569,
igr2=1339,1340,1341,
&end
#
# 60 PHE QE 85 ILE QD1 5.08 (#peak 2577 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2577, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1= 917, 921,
igr2=1346,1347,1348,
&end
#
# 60 PHE HA 60 PHE QE 4.90 (#peak 2580 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2580, nxpk= 0, iat= 909, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 917, 921,
&end
#
# 5 ALY HZ 99 PHE QD 4.65 (#peak 2582 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2582, nxpk= 0, iat= 69, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1565,1573,
&end
#
# 82 PHE HA 82 PHE QE 5.50 (#peak 2584 #SUP 1.00 #QF 0.99)
&rst
ixpk= 2584, nxpk= 0, iat=1282, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1290,1294,
&end
#
# 38 PHE QE 106 LEU QD1 4.66 (#peak 2587 #SUP 1.00 #QF 0.44)
&rst
ixpk= 2587, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 565, 569,
igr2=1691,1692,1693,
&end
#
# 25 THR HB 78 PHE QE 5.04 (#peak 2594 #SUP 1.00 #QF 0.75)
&rst
ixpk= 2594, nxpk= 0, iat= 355, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1228,1232,
&end
#
# 75 PHE HZ 114 LEU HA 4.66 (#peak 2596 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2596, nxpk= 0, iat=1186,1799, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 82 PHE HZ 106 LEU HB3 4.42 (#peak 2601 #SUP 1.00 #QF 0.98)
&rst
ixpk= 2601, nxpk= 0, iat=1292,1687, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 60 PHE HZ 106 LEU QD2 4.27 (#peak 2602 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2602, nxpk= 0, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1695,1696,1697,
&end
#
# 41 PRO HA 42 VAL HB 4.96 (#peak 2607 #SUP 1.00)
&rst
ixpk= 2607, nxpk= 0, iat= 611, 619, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 18 PHE HZ 75 PHE HB2 4.83 (#peak 2615 #SUP 0.99 #QF 0.98)
&rst
ixpk= 2615, nxpk= 0, iat= 221,1178, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 60 PHE HA 85 ILE QD1 4.51 (#peak 2621 #SUP 0.93 #QF 0.93)
&rst
ixpk= 2621, nxpk= 0, iat= 909, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1346,1347,1348,
&end
#
# 37 ILE HN 37 ILE HG13 4.12 (#peak 2627 #SUP 1.00)
&rst
ixpk= 2627, nxpk= 0, iat= 536, 547, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 37 ILE HN 37 ILE HG12 4.12 (#peak 2628 #SUP 1.00)
&rst
ixpk= 2628, nxpk= 0, iat= 536, 546, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 97 THR HA 98 ILE HN 3.41 (#peak 2629 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2629, nxpk= 0, iat=1526,1538, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 60 PHE QE 106 LEU QD1 3.81 (#peak 2631 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2631, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 917, 921,
igr2=1691,1692,1693,
&end
#
# 60 PHE HZ 106 LEU QD1 3.33 (#peak 2632 #SUP 0.97 #QF 0.83)
&rst
ixpk= 2632, nxpk= 0, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1691,1692,1693,
&end
#
# 82 PHE QE 106 LEU QD1 3.57 (#peak 2632 #SUP 0.97 #QF 0.83)
&rst
ixpk= 2632, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr1=1290,1294,
igr2=1691,1692,1693,
&end
#
# 106 LEU HN 106 LEU QD1 4.30 (#peak 2633 #SUP 1.00)
&rst
ixpk= 2633, nxpk= 0, iat=1682, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1691,1692,1693,
&end
#
# 38 PHE HB2 106 LEU QD1 5.21 (#peak 2634 #SUP 0.99 #QF 0.98)
&rst
ixpk= 2634, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2=1691,1692,1693,
&end
#
# 38 PHE HB3 106 LEU QD1 5.21 (#peak 2635 #SUP 0.98 #QF 0.90)
&rst
ixpk= 2635, nxpk= 0, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2=1691,1692,1693,
&end
#
# 106 LEU HB3 106 LEU QD1 3.64 (#peak 2637 #SUP 1.00 #QF 0.99)
&rst
ixpk= 2637, nxpk= 0, iat=1687, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1691,1692,1693,
&end
#
# 85 ILE QG2 106 LEU QD1 3.62 (#peak 2639 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2639, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1339,1340,1341,
igr2=1691,1692,1693,
&end
#
# 97 THR QG2 98 ILE HN 3.86 (#peak 2644 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2644, nxpk= 0, iat= -1,1538, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=1530,1531,1532,
&end
#
# 97 THR HN 97 THR QG2 3.42 (#peak 2646 #SUP 0.90 #QF 0.90)
&rst
ixpk= 2646, nxpk= 0, iat=1524, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1530,1531,1532,
&end
#
# 97 THR QG2 99 PHE QD 4.48 (#peak 2647 #SUP 0.84 #QF 0.84)
&rst
ixpk= 2647, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=1530,1531,1532,
igr2=1565,1573,
&end
#
# 97 THR QG2 97 THR HG1 3.20 (#peak 2648 #SUP 1.00)
&rst
ixpk= 2648, nxpk= 0, iat= -1,1534, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1=1530,1531,1532,
&end
#
# 90 LEU HN 90 LEU QD2 3.85 (#peak 2652 #SUP 0.99 #QF 0.87)
&rst
ixpk= 2652, nxpk= 0, iat=1404, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1417,1418,1419,
&end
#
# 90 LEU QD2 104 VAL HN 4.19 (#peak 2652 #SUP 0.99 #QF 0.87)
&rst
ixpk= 2652, nxpk= 0, iat= -1,1642, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=1417,1418,1419,
&end
#
# 90 LEU QD2 103 ALA HN 4.89 (#peak 2653 #SUP 1.00)
&rst
ixpk= 2653, nxpk= 0, iat= -1,1632, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1=1417,1418,1419,
&end
#
# 90 LEU QD2 100 TYR QD 3.98 (#peak 2655 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2655, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1417,1418,1419,
igr2=1585,1594,
&end
#
# 90 LEU QD2 100 TYR QE 3.85 (#peak 2656 #SUP 0.99 #QF 0.98)
&rst
ixpk= 2656, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=1417,1418,1419,
igr2=1587,1592,
&end
#
# 90 LEU HA 90 LEU QD2 3.19 (#peak 2657 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2657, nxpk= 0, iat=1406, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=1417,1418,1419,
&end
#
# 90 LEU QD2 100 TYR HA 3.50 (#peak 2658 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2658, nxpk= 0, iat= -1,1579, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1417,1418,1419,
&end
#
# 90 LEU QD2 104 VAL HA 4.13 (#peak 2659 #SUP 0.84 #QF 0.84)
&rst
ixpk= 2659, nxpk= 0, iat= -1,1644, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1=1417,1418,1419,
&end
#
# 86 VAL QG2 106 LEU QD2 4.62 (#peak 2662 #SUP 0.77 #QF 0.77)
&rst
ixpk= 2662, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1=1362,1363,1364,
igr2=1695,1696,1697,
&end
#
# 86 VAL QG2 107 ARG HN 4.09 (#peak 2665 #SUP 1.00)
&rst
ixpk= 2665, nxpk= 0, iat= -1,1701, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=1362,1363,1364,
&end
#
# 5 ALY HG2 47 VAL QG2 3.69 (#peak 2669 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2669, nxpk= 0, iat= 60, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 700, 701, 702,
&end
#
# 5 ALY HG3 47 VAL QG2 3.69 (#peak 2670 #SUP 0.93 #QF 0.93)
&rst
ixpk= 2670, nxpk= 0, iat= 61, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 700, 701, 702,
&end
#
# 46 GLU HG3 47 VAL QG2 4.44 (#peak 2671 #SUP 0.99 #QF 0.97)
&rst
ixpk= 2671, nxpk= 0, iat= 683, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 700, 701, 702,
&end
#
# 43 PRO HG2 47 VAL QG2 3.98 (#peak 2672 #SUP 0.93 #QF 0.93)
&rst
ixpk= 2672, nxpk= 0, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 700, 701, 702,
&end
#
# 47 VAL QG2 50 TYR HB2 4.41 (#peak 2673 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2673, nxpk= 0, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 700, 701, 702,
&end
#
# 43 PRO HD2 47 VAL QG2 4.44 (#peak 2675 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2675, nxpk= 0, iat= 632, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 700, 701, 702,
&end
#
# 44 LEU HA 47 VAL QG2 4.81 (#peak 2676 #SUP 1.00 #QF 0.92)
&rst
ixpk= 2676, nxpk= 0, iat= 647, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 700, 701, 702,
&end
#
# 47 VAL QG2 48 PRO HD2 5.22 (#peak 2676 #SUP 1.00 #QF 0.92)
&rst
ixpk= 2676, nxpk= 0, iat= -1, 707, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 700, 701, 702,
&end
#
# 47 VAL HA 47 VAL QG2 3.42 (#peak 2677 #SUP 1.00)
&rst
ixpk= 2677, nxpk= 0, iat= 692, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 700, 701, 702,
&end
#
# 46 GLU HN 47 VAL QG2 4.37 (#peak 2678 #SUP 1.00)
&rst
ixpk= 2678, nxpk= 0, iat= 675, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 700, 701, 702,
&end
#
# 47 VAL HN 47 VAL QG2 3.41 (#peak 2679 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2679, nxpk= 0, iat= 690, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 700, 701, 702,
&end
#
# 47 VAL QG2 49 ASP HN 5.01 (#peak 2680 #SUP 0.49 #QF 0.49)
&rst
ixpk= 2680, nxpk= 0, iat= -1, 720, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 700, 701, 702,
&end
#
# 6 GLY HN 47 VAL QG2 5.07 (#peak 2681 #SUP 0.86 #QF 0.86)
&rst
ixpk= 2681, nxpk= 0, iat= 79, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2= 700, 701, 702,
&end
#
# 53 HID HD2 92 TYR QE 4.48 (#peak 2682 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2682, nxpk= 0, iat= 797, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1455,1460,
&end
#
# 49 ASP HB3 53 HID HD2 4.71 (#peak 2684 #SUP 0.83 #QF 0.34)
&rst
ixpk= 2684, nxpk= 0, iat= 725, 797, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 52 ASP HB2 53 HID HD2 4.82 (#peak 2684 #SUP 0.83 #QF 0.34)
&rst
ixpk= 2684, nxpk= 0, iat= 776, 797, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 58 MET QE 72 TYR QE 5.41 (#peak 2690 #SUP 0.97 #QF 0.56)
&rst
ixpk= 2690, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79,
igr1= 889, 890, 891,
igr2=1130,1135,
&end
#
# 42 VAL QG1 47 VAL QG1 3.80 (#peak 2692 #SUP 1.00)
&rst
ixpk= 2692, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 621, 622, 623,
igr2= 696, 697, 698,
&end
#
# 42 VAL QG1 47 VAL HB 3.64 (#peak 2694 #SUP 0.89 #QF 0.89)
&rst
ixpk= 2694, nxpk= 0, iat= -1, 694, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 621, 622, 623,
&end
#
# 42 VAL QG1 50 TYR HB2 4.48 (#peak 2695 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2695, nxpk= 0, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 621, 622, 623,
&end
#
# 42 VAL QG1 43 PRO HD2 3.75 (#peak 2696 #SUP 1.00)
&rst
ixpk= 2696, nxpk= 0, iat= -1, 632, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 621, 622, 623,
&end
#
# 42 VAL HA 42 VAL QG1 3.58 (#peak 2697 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2697, nxpk= 0, iat= 617, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 621, 622, 623,
&end
#
# 42 VAL QG1 43 PRO HD3 3.77 (#peak 2698 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2698, nxpk= 0, iat= -1, 633, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 621, 622, 623,
&end
#
# 42 VAL QG1 50 TYR QE 4.58 (#peak 2699 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2699, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 621, 622, 623,
igr2= 742, 747,
&end
#
# 42 VAL QG1 47 VAL HN 4.72 (#peak 2700 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2700, nxpk= 0, iat= -1, 690, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 621, 622, 623,
&end
#
# 42 VAL HN 42 VAL QG1 4.11 (#peak 2701 #SUP 1.00)
&rst
ixpk= 2701, nxpk= 0, iat= 615, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 621, 622, 623,
&end
#
# 70 TYR HA 70 TYR QE 4.84 (#peak 2702 #SUP 0.93 #QF 0.93)
&rst
ixpk= 2702, nxpk= 0, iat=1077, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1085,1090,
&end
#
# 19 LEU HB3 70 TYR QE 5.05 (#peak 2710 #SUP 0.94 #QF 0.92)
&rst
ixpk= 2710, nxpk= 0, iat= 234, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1085,1090,
&end
#
# 69 ALA QB 70 TYR QE 5.50 (#peak 2711 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2711, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1069,1070,1071,
igr2=1085,1090,
&end
#
# 70 TYR HN 70 TYR QE 4.84 (#peak 2713 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2713, nxpk= 0, iat=1075, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1085,1090,
&end
#
# 50 TYR QE 54 ILE HG12 5.50 (#peak 2715 #SUP 1.00 #QF 0.70)
&rst
ixpk= 2715, nxpk= 0, iat= -1, 811, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 742, 747,
&end
#
# 42 VAL QG2 43 PRO HD3 4.25 (#peak 2717 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2717, nxpk= 0, iat= -1, 633, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 625, 626, 627,
&end
#
# 42 VAL QG2 43 PRO HD2 4.28 (#peak 2718 #SUP 0.98 #QF 0.97)
&rst
ixpk= 2718, nxpk= 0, iat= -1, 632, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 625, 626, 627,
&end
#
# 37 ILE QG2 37 ILE HG12 3.61 (#peak 2721 #SUP 1.00)
&rst
ixpk= 2721, nxpk= 0, iat= -1, 546, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 542, 543, 544,
&end
#
# 37 ILE QG2 37 ILE HG13 3.61 (#peak 2722 #SUP 1.00)
&rst
ixpk= 2722, nxpk= 0, iat= -1, 547, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 542, 543, 544,
&end
#
# 5 ALY QI 37 ILE QG2 3.14 (#peak 2725 #SUP 0.90 #QF 0.90)
&rst
ixpk= 2725, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 73, 74, 75,
igr2= 542, 543, 544,
&end
#
# 37 ILE HA 37 ILE QG2 3.45 (#peak 2727 #SUP 1.00)
&rst
ixpk= 2727, nxpk= 0, iat= 538, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 542, 543, 544,
&end
#
# 37 ILE QG2 99 PHE HA 4.01 (#peak 2728 #SUP 1.00)
&rst
ixpk= 2728, nxpk= 0, iat= -1,1559, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 542, 543, 544,
&end
#
# 37 ILE QG2 99 PHE QD 3.15 (#peak 2729 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2729, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 542, 543, 544,
igr2=1565,1573,
&end
#
# 37 ILE QG2 38 PHE QD 4.27 (#peak 2730 #SUP 0.99 #QF 0.96)
&rst
ixpk= 2730, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 542, 543, 544,
igr2= 563, 571,
&end
#
# 37 ILE QG2 38 PHE QE 4.55 (#peak 2730 #SUP 0.99 #QF 0.96)
&rst
ixpk= 2730, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 542, 543, 544,
igr2= 565, 569,
&end
#
# 37 ILE QG2 99 PHE QE 3.69 (#peak 2731 #SUP 1.00)
&rst
ixpk= 2731, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 542, 543, 544,
igr2=1567,1571,
&end
#
# 5 ALY HZ 37 ILE QG2 4.40 (#peak 2732 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2732, nxpk= 0, iat= 69, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 542, 543, 544,
&end
#
# 37 ILE HN 37 ILE QG2 3.98 (#peak 2733 #SUP 1.00)
&rst
ixpk= 2733, nxpk= 0, iat= 536, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 542, 543, 544,
&end
#
# 37 ILE QG2 38 PHE HN 4.34 (#peak 2734 #SUP 1.00)
&rst
ixpk= 2734, nxpk= 0, iat= -1, 555, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 542, 543, 544,
&end
#
# 47 VAL QG1 48 PRO HD2 4.84 (#peak 2735 #SUP 1.00)
&rst
ixpk= 2735, nxpk= 0, iat= -1, 707, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 696, 697, 698,
&end
#
# 38 PHE HB3 85 ILE QG2 4.43 (#peak 2743 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2743, nxpk= 0, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1339,1340,1341,
&end
#
# 85 ILE HA 85 ILE QG2 3.27 (#peak 2744 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2744, nxpk= 0, iat=1335, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1339,1340,1341,
&end
#
# 38 PHE QD 85 ILE QG2 3.17 (#peak 2747 #SUP 0.87 #QF 0.81)
&rst
ixpk= 2747, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 563, 571,
igr2=1339,1340,1341,
&end
#
# 98 ILE HN 98 ILE QG2 3.22 (#peak 2748 #SUP 0.95 #QF 0.95)
&rst
ixpk= 2748, nxpk= 0, iat=1538, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=1544,1545,1546,
&end
#
# 98 ILE QG2 102 ALA HN 5.42 (#peak 2749 #SUP 0.91 #QF 0.91)
&rst
ixpk= 2749, nxpk= 0, iat= -1,1622, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=1544,1545,1546,
&end
#
# 98 ILE QG2 99 PHE QE 4.13 (#peak 2750 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2750, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1544,1545,1546,
igr2=1567,1571,
&end
#
# 98 ILE QG2 99 PHE QD 4.00 (#peak 2751 #SUP 1.00)
&rst
ixpk= 2751, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1544,1545,1546,
igr2=1565,1573,
&end
#
# 98 ILE QG2 99 PHE HN 4.36 (#peak 2752 #SUP 1.00)
&rst
ixpk= 2752, nxpk= 0, iat= -1,1557, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1544,1545,1546,
&end
#
# 97 THR HA 98 ILE QG2 4.28 (#peak 2753 #SUP 0.95 #QF 0.95)
&rst
ixpk= 2753, nxpk= 0, iat=1526, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1544,1545,1546,
&end
#
# 98 ILE HA 98 ILE QG2 3.32 (#peak 2754 #SUP 1.00)
&rst
ixpk= 2754, nxpk= 0, iat=1540, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2=1544,1545,1546,
&end
#
# 98 ILE QG2 102 ALA QB 4.29 (#peak 2755 #SUP 0.91 #QF 0.91)
&rst
ixpk= 2755, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1=1544,1545,1546,
igr2=1626,1627,1628,
&end
#
# 98 ILE QG2 98 ILE QG1 3.05 (#peak 2757 #SUP 1.00)
&rst
ixpk= 2757, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1=1544,1545,1546,
igr2=1548,1549,
&end
#
# 37 ILE QG2 98 ILE QG2 4.55 (#peak 2758 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2758, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 542, 543, 544,
igr2=1544,1545,1546,
&end
#
# 127 GLY HN 128 PRO HD3 5.28 (#peak 2759 #SUP 1.00)
&rst
ixpk= 2759, nxpk= 0, iat=2014,2023, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 127 GLY HN 128 PRO HD2 5.28 (#peak 2760 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2760, nxpk= 0, iat=2014,2022, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 63 MET QE 72 TYR HH 4.04 (#peak 2761 #SUP 0.89 #QF 0.89)
&rst
ixpk= 2761, nxpk= 0, iat= -1,1133, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 972, 973, 974,
&end
#
# 29 LEU QD2 63 MET QE 4.28 (#peak 2762 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2762, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 429, 430, 431,
igr2= 972, 973, 974,
&end
#
# 121 ALA QB 124 MET QE 3.07 (#peak 2763 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2763, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1=1936,1937,1938,
igr2=1990,1991,1992,
&end
#
# 32 LYS QD 113 VAL QG2 3.69 (#peak 2764 #SUP 0.99 #QF 0.70)
&rst
ixpk= 2764, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 477, 478,
igr2=1791,1792,1793,
&end
#
# 101 ARG QB 104 VAL QG2 4.19 (#peak 2765 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2765, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1=1602,1603,
igr2=1652,1653,1654,
&end
#
# 106 LEU HB3 106 LEU QD2 3.20 (#peak 2767 #SUP 1.00 #QF 0.91)
&rst
ixpk= 2767, nxpk= 0, iat=1687, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2=1695,1696,1697,
&end
#
# 86 VAL QG1 90 LEU QD2 3.56 (#peak 2768 #SUP 0.76 #QF 0.76)
&rst
ixpk= 2768, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=1358,1359,1360,
igr2=1417,1418,1419,
&end
#
# 86 VAL QG2 107 ARG HB3 4.55 (#peak 2769 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2769, nxpk= 0, iat= -1,1706, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=1362,1363,1364,
&end
#
# 86 VAL QG2 107 ARG HB2 3.72 (#peak 2770 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2770, nxpk= 0, iat= -1,1705, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=1362,1363,1364,
&end
#
# 124 MET HG2 124 MET QE 3.16 (#peak 2771 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2771, nxpk= 0, iat=1986, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=1990,1991,1992,
&end
#
# 124 MET HG3 124 MET QE 3.16 (#peak 2772 #SUP 0.91 #QF 0.91)
&rst
ixpk= 2772, nxpk= 0, iat=1987, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=1990,1991,1992,
&end
#
# 25 THR QG2 78 PHE QD 4.59 (#peak 2776 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2776, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1= 357, 358, 359,
igr2=1226,1234,
&end
#
# 44 LEU QD2 50 TYR QE 4.60 (#peak 2778 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2778, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 658, 659, 660,
igr2= 742, 747,
&end
#
# 90 LEU QD1 104 VAL QG2 3.67 (#peak 2779 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2779, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1=1413,1414,1415,
igr2=1652,1653,1654,
&end
#
# 47 VAL QG1 92 TYR QE 3.86 (#peak 2780 #SUP 0.86 #QF 0.86)
&rst
ixpk= 2780, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 696, 697, 698,
igr2=1455,1460,
&end
#
# 21 LEU HB3 21 LEU QD1 2.90 (#peak 2781 #SUP 1.00 #QF 0.91)
&rst
ixpk= 2781, nxpk= 0, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 276, 277, 278,
&end
#
# 22 LEU QD1 67 LEU HG 4.17 (#peak 2783 #SUP 1.00)
&rst
ixpk= 2783, nxpk= 0, iat= -1,1038, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 295, 296, 297,
&end
#
# 22 LEU HB3 22 LEU QD1 3.59 (#peak 2785 #SUP 0.97 #QF 0.63)
&rst
ixpk= 2785, nxpk= 0, iat= 291, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 295, 296, 297,
&end
#
# 26 LEU QD2 64 LYS HB3 4.18 (#peak 2786 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2786, nxpk= 0, iat= -1, 983, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 378, 379, 380,
&end
#
# 26 LEU HB3 26 LEU QD2 3.61 (#peak 2788 #SUP 0.99 #QF 0.96)
&rst
ixpk= 2788, nxpk= 0, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 378, 379, 380,
&end
#
# 26 LEU QD2 64 LYS HD3 4.15 (#peak 2788 #SUP 0.99 #QF 0.96)
&rst
ixpk= 2788, nxpk= 0, iat= -1, 989, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 378, 379, 380,
&end
#
# 26 LEU QD2 64 LYS QG 3.70 (#peak 2789 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2789, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 378, 379, 380,
igr2= 985, 986,
&end
#
# 84 LEU HB3 84 LEU QD1 4.10 (#peak 2792 #SUP 1.00)
&rst
ixpk= 2792, nxpk= 0, iat=1319, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1323,1324,1325,
&end
#
# 54 ILE HB 54 ILE QD1 3.63 (#peak 2793 #SUP 1.00)
&rst
ixpk= 2793, nxpk= 0, iat= 805, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 814, 815, 816,
&end
#
# 54 ILE QD1 91 LYS HG3 4.53 (#peak 2794 #SUP 1.00)
&rst
ixpk= 2794, nxpk= 0, iat= -1,1431, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 814, 815, 816,
&end
#
# 98 ILE QD1 102 ALA QB 4.47 (#peak 2795 #SUP 0.86 #QF 0.86)
&rst
ixpk= 2795, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1=1551,1552,1553,
igr2=1626,1627,1628,
&end
#
# 61 PHE HB2 62 THR HN 4.77 (#peak 2821 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2821, nxpk= 0, iat= 931, 947, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 61 PHE QD 62 THR HA 4.68 (#peak 2827 #SUP 0.90 #QF 0.90)
&rst
ixpk= 2827, nxpk= 0, iat= -1, 949, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 935, 943,
&end
#
# 50 TYR QE 57 PRO HB2 4.56 (#peak 2830 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2830, nxpk= 0, iat= -1, 871, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 742, 747,
&end
#
# 49 ASP HB2 53 HID HD2 4.71 (#peak 2841 #SUP 0.83 #QF 0.83)
&rst
ixpk= 2841, nxpk= 0, iat= 724, 797, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 60 PHE QE 106 LEU HG 5.50 (#peak 2845 #SUP 1.00 #QF 0.89)
&rst
ixpk= 2845, nxpk= 0, iat= -1,1689, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 917, 921,
&end
#
# 70 TYR HA 70 TYR QD 4.15 (#peak 2846 #SUP 1.00)
&rst
ixpk= 2846, nxpk= 0, iat=1077, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1083,1092,
&end
#
# 5 ALY QI 99 PHE QE 4.91 (#peak 2860 #SUP 1.00)
&rst
ixpk= 2860, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1= 73, 74, 75,
igr2=1567,1571,
&end
#
# 33 ASP HB2 60 PHE QE 4.49 (#peak 2869 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2869, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 917, 921,
&end
#
# 33 ASP HB3 60 PHE QE 4.49 (#peak 2870 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2870, nxpk= 0, iat= 494, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 917, 921,
&end
#
# 33 ASP HB3 60 PHE HZ 4.99 (#peak 2871 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2871, nxpk= 0, iat= 494, 919, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 78 PHE HB3 79 GLU HN 4.56 (#peak 2873 #SUP 1.00)
&rst
ixpk= 2873, nxpk= 0, iat=1223,1238, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 96 ASP HB2 97 THR HN 5.50 (#peak 2874 #SUP 0.97 #QF 0.92)
&rst
ixpk= 2874, nxpk= 0, iat=1516,1524, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 96 ASP HB3 97 THR HN 5.50 (#peak 2874 #SUP 0.97 #QF 0.92)
&rst
ixpk= 2874, nxpk= 0, iat=1517,1524, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 ASN HB2 39 SER HB2 4.76 (#peak 2881 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2881, nxpk= 0, iat= 526, 579, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 40 GLU HG3 41 PRO HD3 5.12 (#peak 2883 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2883, nxpk= 0, iat= 594, 603, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 39 SER HB2 40 GLU HG3 4.62 (#peak 2884 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2884, nxpk= 0, iat= 579, 594, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 39 SER HB2 40 GLU HG2 5.31 (#peak 2885 #SUP 1.00)
&rst
ixpk= 2885, nxpk= 0, iat= 579, 593, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 40 GLU HA 40 GLU HG3 3.84 (#peak 2886 #SUP 1.00)
&rst
ixpk= 2886, nxpk= 0, iat= 588, 594, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 40 GLU HA 40 GLU HG2 3.85 (#peak 2887 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2887, nxpk= 0, iat= 588, 593, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 104 VAL HA 108 GLU HN 4.93 (#peak 2889 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2889, nxpk= 0, iat=1644,1725, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 104 VAL HA 106 LEU HB2 5.50 (#peak 2890 #SUP 0.95 #QF 0.48)
&rst
ixpk= 2890, nxpk= 0, iat=1644,1686, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 103 ALA QB 104 VAL HA 4.63 (#peak 2891 #SUP 1.00)
&rst
ixpk= 2891, nxpk= 0, iat= -1,1644, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1636,1637,1638,
&end
#
# 53 HID HB3 92 TYR QD 4.92 (#peak 2894 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2894, nxpk= 0, iat= 789, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1453,1462,
&end
#
# 53 HID HB2 92 TYR QD 4.92 (#peak 2895 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2895, nxpk= 0, iat= 788, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1453,1462,
&end
#
# 85 ILE HA 85 ILE HG12 4.25 (#peak 2899 #SUP 1.00 #QF 0.43)
&rst
ixpk= 2899, nxpk= 0, iat=1335,1343, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 57 PRO HB2 58 MET HN 4.56 (#peak 2903 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2903, nxpk= 0, iat= 871, 878, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 34 THR HA 36 ASN HN 4.41 (#peak 2906 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2906, nxpk= 0, iat= 503, 522, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 40 GLU HB2 41 PRO HD2 4.30 (#peak 2908 #SUP 1.00)
&rst
ixpk= 2908, nxpk= 0, iat= 590, 602, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 92 TYR HA 92 TYR QD 4.52 (#peak 2911 #SUP 1.00)
&rst
ixpk= 2911, nxpk= 0, iat=1447, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1453,1462,
&end
#
# 42 VAL HA 43 PRO HG3 4.57 (#peak 2917 #SUP 1.00)
&rst
ixpk= 2917, nxpk= 0, iat= 617, 636, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 99 PHE HA 99 PHE QD 3.70 (#peak 2918 #SUP 1.00)
&rst
ixpk= 2918, nxpk= 0, iat=1559, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2=1565,1573,
&end
#
# 38 PHE QE 89 CYS HB2 4.43 (#peak 2930 #SUP 0.96 #QF 0.45)
&rst
ixpk= 2930, nxpk= 0, iat= -1,1397, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 565, 569,
&end
#
# 38 PHE QE 89 CYS HB3 4.43 (#peak 2931 #SUP 0.69 #QF 0.69)
&rst
ixpk= 2931, nxpk= 0, iat= -1,1398, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 565, 569,
&end
#
# 89 CYS HB3 90 LEU HN 4.74 (#peak 2932 #SUP 1.00)
&rst
ixpk= 2932, nxpk= 0, iat=1398,1404, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 89 CYS HB2 90 LEU HN 4.74 (#peak 2933 #SUP 1.00)
&rst
ixpk= 2933, nxpk= 0, iat=1397,1404, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 117 ALA HA 118 ARG HA 5.38 (#peak 2934 #SUP 0.98 #QF 0.80)
&rst
ixpk= 2934, nxpk= 0, iat=1859,1869, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 118 ARG HA 119 ARG HA 5.50 (#peak 2934 #SUP 0.98 #QF 0.80)
&rst
ixpk= 2934, nxpk= 0, iat=1869,1893, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 94 ALA QB 97 THR HG1 4.52 (#peak 2936 #SUP 0.88 #QF 0.88)
&rst
ixpk= 2936, nxpk= 0, iat= -1,1534, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1484,1485,1486,
&end
#
# 94 ALA QB 95 LYS HA 4.71 (#peak 2938 #SUP 1.00)
&rst
ixpk= 2938, nxpk= 0, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1484,1485,1486,
&end
#
# 40 GLU HA 41 PRO HD3 3.86 (#peak 2939 #SUP 1.00)
&rst
ixpk= 2939, nxpk= 0, iat= 588, 603, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 60 PHE QE 82 PHE QD 4.44 (#peak 2942 #SUP 1.00 #QF 0.90)
&rst
ixpk= 2942, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 917, 921,
igr2=1288,1296,
&end
#
# 82 PHE HN 82 PHE QD 5.00 (#peak 2942 #SUP 1.00 #QF 0.90)
&rst
ixpk= 2942, nxpk= 0, iat=1280, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1288,1296,
&end
#
# 16 SER HB3 19 LEU HN 4.84 (#peak 2945 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2945, nxpk= 0, iat= 196, 229, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 16 SER HB2 19 LEU HN 4.84 (#peak 2946 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2946, nxpk= 0, iat= 195, 229, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 16 SER HB2 19 LEU HB2 4.80 (#peak 2949 #SUP 0.93 #QF 0.93)
&rst
ixpk= 2949, nxpk= 0, iat= 195, 233, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 16 SER HB2 19 LEU HG 5.04 (#peak 2951 #SUP 0.99 #QF 0.97)
&rst
ixpk= 2951, nxpk= 0, iat= 195, 236, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 18 PHE QD 121 ALA QB 4.76 (#peak 2955 #SUP 1.00 #QF 0.43)
&rst
ixpk= 2955, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1= 217, 225,
igr2=1936,1937,1938,
&end
#
# 19 LEU HB3 70 TYR HA 5.50 (#peak 2962 #SUP 0.79 #QF 0.79)
&rst
ixpk= 2962, nxpk= 0, iat= 234,1077, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 LEU HB2 19 LEU QD1 2.96 (#peak 2963 #SUP 0.58 #QF 0.58)
&rst
ixpk= 2963, nxpk= 0, iat= 233, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 238, 239, 240,
&end
#
# 17 GLY HA3 20 ILE HB 4.71 (#peak 2967 #SUP 0.98 #QF 0.98)
&rst
ixpk= 2967, nxpk= 0, iat= 205, 252, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 21 LEU HN 21 LEU HG 4.73 (#peak 2972 #SUP 1.00)
&rst
ixpk= 2972, nxpk= 0, iat= 267, 274, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 20 ILE HN 21 LEU HG 4.89 (#peak 2973 #SUP 0.60 #QF 0.60)
&rst
ixpk= 2973, nxpk= 0, iat= 248, 274, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 21 LEU HG 22 LEU QD2 4.60 (#peak 2975 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2975, nxpk= 0, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 299, 300, 301,
&end
#
# 21 LEU QD2 22 LEU QD2 5.43 (#peak 2976 #SUP 0.98 #QF 0.97)
&rst
ixpk= 2976, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
igr1= 280, 281, 282,
igr2= 299, 300, 301,
&end
#
# 22 LEU QD2 114 LEU QD2 5.50 (#peak 2976 #SUP 0.98 #QF 0.97)
&rst
ixpk= 2976, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 299, 300, 301,
igr2=1810,1811,1812,
&end
#
# 22 LEU HA 67 LEU QD2 4.98 (#peak 2977 #SUP 0.94 #QF 0.94)
&rst
ixpk= 2977, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1044,1045,1046,
&end
#
# 22 LEU QD1 78 PHE HN 5.15 (#peak 2982 #SUP 0.86 #QF 0.25)
&rst
ixpk= 2982, nxpk= 0, iat= -1,1218, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1= 295, 296, 297,
&end
#
# 22 LEU QD1 78 PHE QE 5.39 (#peak 2982 #SUP 0.86 #QF 0.25)
&rst
ixpk= 2982, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1= 295, 296, 297,
igr2=1228,1232,
&end
#
# 22 LEU QD2 23 ARG HN 4.66 (#peak 2985 #SUP 0.99 #QF 0.99)
&rst
ixpk= 2985, nxpk= 0, iat= -1, 305, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 299, 300, 301,
&end
#
# 22 LEU QD2 78 PHE HB2 4.40 (#peak 2986 #SUP 0.96 #QF 0.96)
&rst
ixpk= 2986, nxpk= 0, iat= -1,1222, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 299, 300, 301,
&end
#
# 22 LEU QD2 25 THR QG2 4.55 (#peak 2987 #SUP 1.00)
&rst
ixpk= 2987, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 299, 300, 301,
igr2= 357, 358, 359,
&end
#
# 23 ARG HD2 23 ARG QH2 4.93 (#peak 2993 #SUP 1.00)
&rst
ixpk= 2993, nxpk= 0, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2= 324, 325,
&end
#
# 23 ARG HD3 23 ARG QH2 4.93 (#peak 2994 #SUP 1.00)
&rst
ixpk= 2994, nxpk= 0, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2= 324, 325,
&end
#
# 23 ARG HD3 67 LEU QD2 5.50 (#peak 2995 #SUP 0.92 #QF 0.81)
&rst
ixpk= 2995, nxpk= 0, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1044,1045,1046,
&end
#
# 26 LEU HA 78 PHE QE 4.65 (#peak 2996 #SUP 1.00)
&rst
ixpk= 2996, nxpk= 0, iat= 367, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1228,1232,
&end
#
# 24 LYS QG 25 THR HN 4.70 (#peak 3000 #SUP 1.00)
&rst
ixpk= 3000, nxpk= 0, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 336, 337,
&end
#
# 24 LYS HA 24 LYS HD2 5.47 (#peak 3003 #SUP 0.99 #QF 0.55)
&rst
ixpk= 3003, nxpk= 0, iat= 331, 339, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 24 LYS HA 24 LYS HD3 5.47 (#peak 3003 #SUP 0.99 #QF 0.55)
&rst
ixpk= 3003, nxpk= 0, iat= 331, 340, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 25 THR HA 117 ALA QB 4.57 (#peak 3006 #SUP 0.97 #QF 0.97)
&rst
ixpk= 3006, nxpk= 0, iat= 353, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1861,1862,1863,
&end
#
# 25 THR HB 113 VAL QG1 4.70 (#peak 3007 #SUP 0.67 #QF 0.67)
&rst
ixpk= 3007, nxpk= 0, iat= 355, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=1787,1788,1789,
&end
#
# 26 LEU HN 26 LEU HG 4.92 (#peak 3011 #SUP 1.00 #QF 0.99)
&rst
ixpk= 3011, nxpk= 0, iat= 365, 372, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 67 LEU HN 67 LEU HG 5.26 (#peak 3011 #SUP 1.00 #QF 0.99)
&rst
ixpk= 3011, nxpk= 0, iat=1031,1038, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 26 LEU QD1 27 GLU HN 4.64 (#peak 3012 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3012, nxpk= 0, iat= -1, 384, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 374, 375, 376,
&end
#
# 26 LEU QD1 64 LYS HA 4.18 (#peak 3013 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3013, nxpk= 0, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 374, 375, 376,
&end
#
# 27 GLU HG3 28 GLN HN 5.24 (#peak 3017 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3017, nxpk= 0, iat= 392, 399, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 28 GLN HG3 113 VAL QG1 4.85 (#peak 3019 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3019, nxpk= 0, iat= 407, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=1787,1788,1789,
&end
#
# 28 GLN HG2 113 VAL QG1 4.85 (#peak 3020 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3020, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=1787,1788,1789,
&end
#
# 26 LEU HA 29 LEU HB2 4.94 (#peak 3022 #SUP 0.82 #QF 0.74)
&rst
ixpk= 3022, nxpk= 0, iat= 367, 420, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 25 THR QG2 29 LEU HG 5.00 (#peak 3024 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3024, nxpk= 0, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 357, 358, 359,
&end
#
# 29 LEU HG 106 LEU QD2 5.34 (#peak 3024 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3024, nxpk= 0, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr2=1695,1696,1697,
&end
#
# 29 LEU QD1 82 PHE QD 3.64 (#peak 3025 #SUP 0.76 #QF 0.76)
&rst
ixpk= 3025, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 425, 426, 427,
igr2=1288,1296,
&end
#
# 30 GLN HA 60 PHE QE 4.29 (#peak 3027 #SUP 0.71 #QF 0.71)
&rst
ixpk= 3027, nxpk= 0, iat= 437, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 917, 921,
&end
#
# 30 GLN HA 33 ASP HB3 4.66 (#peak 3029 #SUP 0.92 #QF 0.92)
&rst
ixpk= 3029, nxpk= 0, iat= 437, 494, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 31 GLU HA 31 GLU HG2 4.00 (#peak 3032 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3032, nxpk= 0, iat= 454, 459, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 31 GLU HA 31 GLU HG3 4.00 (#peak 3034 #SUP 0.69 #QF 0.45)
&rst
ixpk= 3034, nxpk= 0, iat= 454, 460, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 37 ILE HB 38 PHE HN 4.28 (#peak 3042 #SUP 1.00)
&rst
ixpk= 3042, nxpk= 0, iat= 540, 555, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 37 ILE HB 38 PHE QD 4.65 (#peak 3044 #SUP 0.99 #QF 0.91)
&rst
ixpk= 3044, nxpk= 0, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 563, 571,
&end
#
# 37 ILE HB 38 PHE QE 5.11 (#peak 3044 #SUP 0.99 #QF 0.91)
&rst
ixpk= 3044, nxpk= 0, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 565, 569,
&end
#
# 36 ASN HN 37 ILE QD1 5.07 (#peak 3046 #SUP 0.97 #QF 0.97)
&rst
ixpk= 3046, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2= 549, 550, 551,
&end
#
# 37 ILE QD1 102 ALA HA 4.19 (#peak 3047 #SUP 1.00)
&rst
ixpk= 3047, nxpk= 0, iat= -1,1624, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 549, 550, 551,
&end
#
# 5 ALY QI 37 ILE QD1 4.17 (#peak 3048 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3048, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 73, 74, 75,
igr2= 549, 550, 551,
&end
#
# 38 PHE QD 102 ALA QB 5.40 (#peak 3050 #SUP 1.00 #QF 0.87)
&rst
ixpk= 3050, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 563, 571,
igr2=1626,1627,1628,
&end
#
# 38 PHE QD 106 LEU HG 5.50 (#peak 3050 #SUP 1.00 #QF 0.87)
&rst
ixpk= 3050, nxpk= 0, iat= -1,1689, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 563, 571,
&end
#
# 37 ILE QG2 38 PHE HZ 5.00 (#peak 3053 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3053, nxpk= 0, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 542, 543, 544,
&end
#
# 38 PHE HZ 89 CYS HG 4.94 (#peak 3054 #SUP 0.98 #QF 0.90)
&rst
ixpk= 3054, nxpk= 0, iat= 567,1400, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 41 PRO HA 59 ASP HB2 4.37 (#peak 3055 #SUP 0.87 #QF 0.87)
&rst
ixpk= 3055, nxpk= 0, iat= 611, 899, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 41 PRO HA 59 ASP HB3 4.37 (#peak 3056 #SUP 0.94 #QF 0.94)
&rst
ixpk= 3056, nxpk= 0, iat= 611, 900, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 43 PRO HB3 44 LEU HN 4.67 (#peak 3061 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3061, nxpk= 0, iat= 639, 645, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 45 SER HA 46 GLU HA 4.87 (#peak 3065 #SUP 0.91 #QF 0.91)
&rst
ixpk= 3065, nxpk= 0, iat= 666, 677, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 46 GLU HG2 47 VAL QG2 4.75 (#peak 3067 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3067, nxpk= 0, iat= 682, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 700, 701, 702,
&end
#
# 47 VAL QG1 50 TYR HN 3.52 (#peak 3070 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3070, nxpk= 0, iat= -1, 732, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 696, 697, 698,
&end
#
# 47 VAL QG1 50 TYR QE 4.63 (#peak 3072 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3072, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 696, 697, 698,
igr2= 742, 747,
&end
#
# 5 ALY HA 47 VAL QG1 3.76 (#peak 3073 #SUP 0.88 #QF 0.88)
&rst
ixpk= 3073, nxpk= 0, iat= 55, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 696, 697, 698,
&end
#
# 47 VAL QG1 50 TYR HA 3.65 (#peak 3074 #SUP 0.95 #QF 0.95)
&rst
ixpk= 3074, nxpk= 0, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 696, 697, 698,
&end
#
# 47 VAL QG1 50 TYR HB2 3.49 (#peak 3075 #SUP 0.96 #QF 0.96)
&rst
ixpk= 3075, nxpk= 0, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 696, 697, 698,
&end
#
# 47 VAL QG1 50 TYR HB3 3.93 (#peak 3076 #SUP 1.00)
&rst
ixpk= 3076, nxpk= 0, iat= -1, 737, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 696, 697, 698,
&end
#
# 47 VAL QG1 48 PRO HD3 4.84 (#peak 3077 #SUP 1.00)
&rst
ixpk= 3077, nxpk= 0, iat= -1, 708, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 696, 697, 698,
&end
#
# 63 MET QE 114 LEU QD2 3.91 (#peak 3080 #SUP 0.31 #QF 0.31)
&rst
ixpk= 3080, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 972, 973, 974,
igr2=1810,1811,1812,
&end
#
# 44 LEU HA 48 PRO HA 4.64 (#peak 3081 #SUP 0.99 #QF 0.85)
&rst
ixpk= 3081, nxpk= 0, iat= 647, 716, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 47 VAL QG2 48 PRO HD3 5.22 (#peak 3087 #SUP 1.00)
&rst
ixpk= 3087, nxpk= 0, iat= -1, 708, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 700, 701, 702,
&end
#
# 50 TYR HA 92 TYR QD 4.55 (#peak 3093 #SUP 0.93 #QF 0.93)
&rst
ixpk= 3093, nxpk= 0, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2=1453,1462,
&end
#
# 51 LEU HA 54 ILE HN 4.04 (#peak 3098 #SUP 0.97 #QF 0.97)
&rst
ixpk= 3098, nxpk= 0, iat= 755, 801, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 51 LEU QD2 54 ILE HN 4.94 (#peak 3100 #SUP 0.89 #QF 0.89)
&rst
ixpk= 3100, nxpk= 0, iat= -1, 801, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 766, 767, 768,
&end
#
# 52 ASP HB3 53 HID HN 4.69 (#peak 3102 #SUP 1.00)
&rst
ixpk= 3102, nxpk= 0, iat= 777, 784, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 53 HID HA 53 HIS HD2 4.56 (#peak 3103 #SUP 0.78 #QF 0.78)
&rst
ixpk= 3103, nxpk= 0, iat= 786, 797, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 50 TYR HA 53 HID HD2 5.30 (#peak 3104 #SUP 0.85 #QF 0.85)
&rst
ixpk= 3104, nxpk= 0, iat= 734, 797, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 54 ILE HA 56 LYS HN 4.47 (#peak 3105 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3105, nxpk= 0, iat= 803, 842, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 54 ILE HA 91 LYS QD 5.01 (#peak 3106 #SUP 1.00 #QF 0.99)
&rst
ixpk= 3106, nxpk= 0, iat= 803, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=1433,1434,
&end
#
# 54 ILE HN 54 ILE HG13 4.89 (#peak 3109 #SUP 0.97 #QF 0.97)
&rst
ixpk= 3109, nxpk= 0, iat= 801, 812, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 54 ILE QD1 56 LYS HN 5.12 (#peak 3110 #SUP 1.00)
&rst
ixpk= 3110, nxpk= 0, iat= -1, 842, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 814, 815, 816,
&end
#
# 54 ILE HN 54 ILE QD1 3.95 (#peak 3111 #SUP 0.97 #QF 0.78)
&rst
ixpk= 3111, nxpk= 0, iat= 801, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 814, 815, 816,
&end
#
# 54 ILE QD1 91 LYS HN 3.96 (#peak 3112 #SUP 0.95 #QF 0.95)
&rst
ixpk= 3112, nxpk= 0, iat= -1,1423, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 814, 815, 816,
&end
#
# 54 ILE QD1 92 TYR HN 3.93 (#peak 3113 #SUP 1.00)
&rst
ixpk= 3113, nxpk= 0, iat= -1,1445, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 814, 815, 816,
&end
#
# 54 ILE QD1 92 TYR QD 4.06 (#peak 3114 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3114, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 814, 815, 816,
igr2=1453,1462,
&end
#
# 50 TYR QE 54 ILE QD1 4.31 (#peak 3115 #SUP 0.90 #QF 0.90)
&rst
ixpk= 3115, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 742, 747,
igr2= 814, 815, 816,
&end
#
# 54 ILE QD1 92 TYR HA 4.23 (#peak 3116 #SUP 0.97 #QF 0.97)
&rst
ixpk= 3116, nxpk= 0, iat= -1,1447, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 814, 815, 816,
&end
#
# 54 ILE HA 55 LYS HB3 5.50 (#peak 3118 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3118, nxpk= 0, iat= 803, 825, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 LYS QD 56 LYS HN 4.59 (#peak 3119 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3119, nxpk= 0, iat= -1, 842, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 830, 831,
&end
#
# 51 LEU QD2 57 PRO HB2 4.59 (#peak 3123 #SUP 1.00)
&rst
ixpk= 3123, nxpk= 0, iat= -1, 871, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 766, 767, 768,
&end
#
# 51 LEU QD2 57 PRO HB3 4.59 (#peak 3125 #SUP 1.00)
&rst
ixpk= 3125, nxpk= 0, iat= -1, 872, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 766, 767, 768,
&end
#
# 50 TYR QE 57 PRO HG2 4.70 (#peak 3126 #SUP 1.00)
&rst
ixpk= 3126, nxpk= 0, iat= -1, 868, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 742, 747,
&end
#
# 50 TYR QE 57 PRO HG3 4.70 (#peak 3127 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3127, nxpk= 0, iat= -1, 869, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 742, 747,
&end
#
# 54 ILE QG2 57 PRO HG3 4.56 (#peak 3128 #SUP 0.83 #QF 0.83)
&rst
ixpk= 3128, nxpk= 0, iat= -1, 869, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 807, 808, 809,
&end
#
# 56 LYS HA 57 PRO HG3 4.93 (#peak 3130 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3130, nxpk= 0, iat= 844, 869, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 61 PHE HA 61 PHE QD 4.41 (#peak 3140 #SUP 1.00 #QF 0.42)
&rst
ixpk= 3140, nxpk= 0, iat= 929, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 935, 943,
&end
#
# 61 PHE HZ 65 GLN HG3 5.12 (#peak 3144 #SUP 0.88 #QF 0.88)
&rst
ixpk= 3144, nxpk= 0, iat= 939,1008, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 61 PHE HZ 65 GLN HG2 5.12 (#peak 3145 #SUP 0.97 #QF 0.97)
&rst
ixpk= 3145, nxpk= 0, iat= 939,1007, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 62 THR QG2 72 TYR HH 4.51 (#peak 3146 #SUP 0.88 #QF 0.88)
&rst
ixpk= 3146, nxpk= 0, iat= -1,1133, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 953, 954, 955,
&end
#
# 60 PHE HA 63 MET QE 4.83 (#peak 3153 #SUP 0.85 #QF 0.85)
&rst
ixpk= 3153, nxpk= 0, iat= 909, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 972, 973, 974,
&end
#
# 19 LEU HA 67 LEU HG 5.50 (#peak 3159 #SUP 1.00 #QF 0.63)
&rst
ixpk= 3159, nxpk= 0, iat= 231,1038, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 ARG HA 26 LEU HG 5.50 (#peak 3159 #SUP 1.00 #QF 0.63)
&rst
ixpk= 3159, nxpk= 0, iat= 307, 372, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 ARG HA 67 LEU HG 5.50 (#peak 3159 #SUP 1.00 #QF 0.63)
&rst
ixpk= 3159, nxpk= 0, iat= 307,1038, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 LEU QD1 67 LEU QD1 3.30 (#peak 3160 #SUP 1.00)
&rst
ixpk= 3160, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 295, 296, 297,
igr2=1040,1041,1042,
&end
#
# 19 LEU HB2 70 TYR QE 4.88 (#peak 3169 #SUP 0.84 #QF 0.84)
&rst
ixpk= 3169, nxpk= 0, iat= 233, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1085,1090,
&end
#
# 72 TYR HA 72 TYR QD 3.57 (#peak 3173 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3173, nxpk= 0, iat=1122, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1128,1137,
&end
#
# 67 LEU HB2 72 TYR QE 5.25 (#peak 3180 #SUP 0.98 #QF 0.35)
&rst
ixpk= 3180, nxpk= 0, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2=1130,1135,
&end
#
# 73 LEU QD1 74 ASN HN 4.87 (#peak 3182 #SUP 1.00)
&rst
ixpk= 3182, nxpk= 0, iat= -1,1160, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1=1150,1151,1152,
&end
#
# 75 PHE HA 78 PHE QD 4.66 (#peak 3183 #SUP 1.00)
&rst
ixpk= 3183, nxpk= 0, iat=1176, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2=1226,1234,
&end
#
# 75 PHE HA 78 PHE HB3 4.54 (#peak 3184 #SUP 1.00)
&rst
ixpk= 3184, nxpk= 0, iat=1176,1223, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 22 LEU QD1 75 PHE HA 4.81 (#peak 3185 #SUP 1.00)
&rst
ixpk= 3185, nxpk= 0, iat= -1,1176, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 295, 296, 297,
&end
#
# 75 PHE QD 78 PHE QD 5.22 (#peak 3186 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3186, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1=1182,1190,
igr2=1226,1234,
&end
#
# 75 PHE QD 79 GLU HN 5.17 (#peak 3187 #SUP 0.99 #QF 0.75)
&rst
ixpk= 3187, nxpk= 0, iat= -1,1238, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1182,1190,
&end
#
# 72 TYR QD 78 PHE HA 4.32 (#peak 3193 #SUP 0.93 #QF 0.83)
&rst
ixpk= 3193, nxpk= 0, iat= -1,1220, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1128,1137,
&end
#
# 78 PHE HA 81 ASP HN 4.85 (#peak 3193 #SUP 0.93 #QF 0.83)
&rst
ixpk= 3193, nxpk= 0, iat=1220,1268, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 72 TYR QE 78 PHE HA 4.14 (#peak 3194 #SUP 0.64 #QF 0.64)
&rst
ixpk= 3194, nxpk= 0, iat= -1,1220, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=1130,1135,
&end
#
# 26 LEU QD2 78 PHE QD 5.50 (#peak 3196 #SUP 0.99 #QF 0.97)
&rst
ixpk= 3196, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 378, 379, 380,
igr2=1226,1234,
&end
#
# 78 PHE QD 79 GLU HA 4.59 (#peak 3198 #SUP 0.93 #QF 0.93)
&rst
ixpk= 3198, nxpk= 0, iat= -1,1240, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1226,1234,
&end
#
# 80 GLU HB3 80 GLU QG 2.88 (#peak 3199 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3199, nxpk= 0, iat=1258, -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
igr2=1260,1261,
&end
#
# 80 GLU HB2 80 GLU QG 2.88 (#peak 3200 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3200, nxpk= 0, iat=1257, -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
igr2=1260,1261,
&end
#
# 63 MET QE 81 ASP HB3 4.74 (#peak 3201 #SUP 0.96 #QF 0.96)
&rst
ixpk= 3201, nxpk= 0, iat= -1,1273, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 972, 973, 974,
&end
#
# 72 TYR HH 81 ASP HB3 4.94 (#peak 3202 #SUP 0.74 #QF 0.74)
&rst
ixpk= 3202, nxpk= 0, iat=1133,1273, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 72 TYR HH 81 ASP HB2 4.94 (#peak 3203 #SUP 0.75 #QF 0.75)
&rst
ixpk= 3203, nxpk= 0, iat=1133,1272, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 82 PHE HA 85 ILE HN 4.34 (#peak 3204 #SUP 0.96 #QF 0.96)
&rst
ixpk= 3204, nxpk= 0, iat=1282,1333, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 82 PHE HA 85 ILE HG12 5.50 (#peak 3206 #SUP 0.99 #QF 0.84)
&rst
ixpk= 3206, nxpk= 0, iat=1282,1343, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 82 PHE HZ 110 GLY HA3 5.28 (#peak 3207 #SUP 0.95 #QF 0.95)
&rst
ixpk= 3207, nxpk= 0, iat=1292,1760, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 82 PHE HZ 107 ARG HA 5.20 (#peak 3208 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3208, nxpk= 0, iat=1292,1703, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 83 ASN HA 87 SER HN 4.64 (#peak 3209 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3209, nxpk= 0, iat=1302,1368, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 56 LYS HB2 84 LEU QD1 4.26 (#peak 3212 #SUP 1.00 #QF 0.82)
&rst
ixpk= 3212, nxpk= 0, iat= 846, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1323,1324,1325,
&end
#
# 84 LEU HB2 84 LEU QD1 4.10 (#peak 3212 #SUP 1.00 #QF 0.82)
&rst
ixpk= 3212, nxpk= 0, iat=1318, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1323,1324,1325,
&end
#
# 85 ILE HA 85 ILE QD1 3.91 (#peak 3213 #SUP 0.88 #QF 0.88)
&rst
ixpk= 3213, nxpk= 0, iat=1335, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1346,1347,1348,
&end
#
# 60 PHE QE 85 ILE QG2 4.35 (#peak 3218 #SUP 0.95 #QF 0.95)
&rst
ixpk= 3218, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 917, 921,
igr2=1339,1340,1341,
&end
#
# 85 ILE HB 86 VAL QG2 4.09 (#peak 3219 #SUP 0.92 #QF 0.92)
&rst
ixpk= 3219, nxpk= 0, iat=1337, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1362,1363,1364,
&end
#
# 82 PHE HA 114 LEU QD1 5.50 (#peak 3220 #SUP 0.87 #QF 0.80)
&rst
ixpk= 3220, nxpk= 0, iat=1282, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1806,1807,1808,
&end
#
# 86 VAL HA 90 LEU QD1 5.07 (#peak 3224 #SUP 0.87 #QF 0.45)
&rst
ixpk= 3224, nxpk= 0, iat=1354, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=1413,1414,1415,
&end
#
# 91 LYS HN 91 LYS HG3 4.59 (#peak 3226 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3226, nxpk= 0, iat=1423,1431, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 93 ASN HA 94 ALA QB 4.04 (#peak 3230 #SUP 1.00)
&rst
ixpk= 3230, nxpk= 0, iat=1468, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1484,1485,1486,
&end
#
# 91 LYS HA 91 LYS QE 4.36 (#peak 3233 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3233, nxpk= 0, iat=1425, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1436,1437,
&end
#
# 91 LYS HN 91 LYS QE 5.50 (#peak 3236 #SUP 1.00 #QF 0.53)
&rst
ixpk= 3236, nxpk= 0, iat=1423, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1436,1437,
&end
#
# 95 LYS HN 95 LYS HG3 4.24 (#peak 3239 #SUP 1.00)
&rst
ixpk= 3239, nxpk= 0, iat=1490,1498, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 95 LYS HB2 95 LYS QD 3.63 (#peak 3241 #SUP 0.99 #QF 0.93)
&rst
ixpk= 3241, nxpk= 0, iat=1494, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=1500,1501,
&end
#
# 95 LYS HB3 95 LYS QD 3.63 (#peak 3241 #SUP 0.99 #QF 0.93)
&rst
ixpk= 3241, nxpk= 0, iat=1495, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=1500,1501,
&end
#
# 95 LYS HA 95 LYS QD 4.41 (#peak 3242 #SUP 0.97 #QF 0.97)
&rst
ixpk= 3242, nxpk= 0, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1500,1501,
&end
#
# 97 THR HA 97 THR QG2 3.13 (#peak 3247 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3247, nxpk= 0, iat=1526, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2=1530,1531,1532,
&end
#
# 97 THR HB 98 ILE QG2 4.14 (#peak 3248 #SUP 0.94 #QF 0.94)
&rst
ixpk= 3248, nxpk= 0, iat=1528, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1544,1545,1546,
&end
#
# 5 ALY QI 99 PHE HB2 5.32 (#peak 3249 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3249, nxpk= 0, iat= -1,1561, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 73, 74, 75,
&end
#
# 5 ALY HZ 99 PHE QE 4.83 (#peak 3254 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3254, nxpk= 0, iat= 69, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1567,1571,
&end
#
# 99 PHE HA 99 PHE QE 5.09 (#peak 3255 #SUP 0.95 #QF 0.95)
&rst
ixpk= 3255, nxpk= 0, iat=1559, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr2=1567,1571,
&end
#
# 101 ARG HA 101 ARG HD3 4.61 (#peak 3260 #SUP 1.00)
&rst
ixpk= 3260, nxpk= 0, iat=1600,1609, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 89 CYS HN 103 ALA QB 4.21 (#peak 3264 #SUP 0.93 #QF 0.93)
&rst
ixpk= 3264, nxpk= 0, iat=1393, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1636,1637,1638,
&end
#
# 100 TYR HA 104 VAL QG2 4.63 (#peak 3265 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3265, nxpk= 0, iat=1579, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=1652,1653,1654,
&end
#
# 104 VAL QG2 107 ARG HE 4.76 (#peak 3266 #SUP 0.90 #QF 0.90)
&rst
ixpk= 3266, nxpk= 0, iat= -1,1714, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1652,1653,1654,
&end
#
# 103 ALA HN 104 VAL QG2 4.48 (#peak 3267 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3267, nxpk= 0, iat=1632, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1652,1653,1654,
&end
#
# 54 ILE QD1 91 LYS HA 4.65 (#peak 3268 #SUP 0.89 #QF 0.89)
&rst
ixpk= 3268, nxpk= 0, iat= -1,1425, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 814, 815, 816,
&end
#
# 82 PHE QE 106 LEU HB2 5.44 (#peak 3272 #SUP 1.00 #QF 0.99)
&rst
ixpk= 3272, nxpk= 0, iat= -1,1686, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1290,1294,
&end
#
# 82 PHE HZ 106 LEU HB2 5.50 (#peak 3272 #SUP 1.00 #QF 0.99)
&rst
ixpk= 3272, nxpk= 0, iat=1292,1686, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 103 ALA HA 106 LEU QD1 4.32 (#peak 3278 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3278, nxpk= 0, iat=1634, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1691,1692,1693,
&end
#
# 82 PHE QD 106 LEU QD1 4.41 (#peak 3279 #SUP 0.94 #QF 0.94)
&rst
ixpk= 3279, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1288,1296,
igr2=1691,1692,1693,
&end
#
# 104 VAL QG1 107 ARG HB3 4.98 (#peak 3280 #SUP 1.00 #QF 0.98)
&rst
ixpk= 3280, nxpk= 0, iat= -1,1706, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1=1648,1649,1650,
&end
#
# 32 LYS QD 109 GLN HG3 4.69 (#peak 3283 #SUP 0.91 #QF 0.91)
&rst
ixpk= 3283, nxpk= 0, iat= -1,1748, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 477, 478,
&end
#
# 108 GLU HN 109 GLN HG3 5.03 (#peak 3284 #SUP 0.91 #QF 0.91)
&rst
ixpk= 3284, nxpk= 0, iat=1725,1748, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 109 GLN HG3 110 GLY HN 4.74 (#peak 3285 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3285, nxpk= 0, iat=1748,1757, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 32 LYS QD 109 GLN HG2 4.77 (#peak 3286 #SUP 0.91 #QF 0.91)
&rst
ixpk= 3286, nxpk= 0, iat= -1,1747, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 477, 478,
&end
#
# 110 GLY HA3 113 VAL HB 5.50 (#peak 3289 #SUP 0.98 #QF 0.56)
&rst
ixpk= 3289, nxpk= 0, iat=1760,1785, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 113 VAL HA 117 ALA HN 4.70 (#peak 3291 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3291, nxpk= 0, iat=1783,1857, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 110 GLY HA3 113 VAL HB 4.47 (#peak 3293 #SUP 1.00 #QF 0.86)
&rst
ixpk= 3293, nxpk= 0, iat=1760,1785, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 29 LEU HN 113 VAL QG1 3.88 (#peak 3294 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3294, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1787,1788,1789,
&end
#
# 32 LYS HE3 113 VAL QG2 3.55 (#peak 3295 #SUP 1.00)
&rst
ixpk= 3295, nxpk= 0, iat= 481, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2=1791,1792,1793,
&end
#
# 79 GLU HA 114 LEU QD1 4.12 (#peak 3296 #SUP 1.00)
&rst
ixpk= 3296, nxpk= 0, iat=1240, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1806,1807,1808,
&end
#
# 114 LEU HB3 114 LEU QD2 3.27 (#peak 3297 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3297, nxpk= 0, iat=1802, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1810,1811,1812,
&end
#
# 21 LEU HB3 21 LEU QD2 3.26 (#peak 3298 #SUP 0.99 #QF 0.27)
&rst
ixpk= 3298, nxpk= 0, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 280, 281, 282,
&end
#
# 42 VAL HA 43 PRO HG2 4.51 (#peak 3299 #SUP 0.88 #QF 0.88)
&rst
ixpk= 3299, nxpk= 0, iat= 617, 635, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 117 ALA QB 120 GLN HN 5.40 (#peak 3300 #SUP 0.99 #QF 0.96)
&rst
ixpk= 3300, nxpk= 0, iat= -1,1915, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1861,1862,1863,
&end
#
# 21 LEU QD1 118 ARG HA 4.83 (#peak 3301 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3301, nxpk= 0, iat= -1,1869, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 276, 277, 278,
&end
#
# 117 ALA HN 120 GLN HG3 5.46 (#peak 3303 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3303, nxpk= 0, iat=1857,1923, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 22 LEU QD2 121 ALA QB 4.79 (#peak 3307 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3307, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 299, 300, 301,
igr2=1936,1937,1938,
&end
#
# 127 GLY HA3 128 PRO QG 4.63 (#peak 3309 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3309, nxpk= 0, iat=2017, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=2025,2026,
&end
#
# 34 THR HA 35 GLY HA3 4.88 (#peak 3311 #SUP 0.97 #QF 0.97)
&rst
ixpk= 3311, nxpk= 0, iat= 503, 518, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 33 ASP HA 34 THR HA 4.60 (#peak 3312 #SUP 1.00)
&rst
ixpk= 3312, nxpk= 0, iat= 491, 503, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 36 ASN HB3 37 ILE HN 4.89 (#peak 3313 #SUP 1.00)
&rst
ixpk= 3313, nxpk= 0, iat= 527, 536, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 94 ALA HA 97 THR QG2 4.74 (#peak 3314 #SUP 0.96 #QF 0.96)
&rst
ixpk= 3314, nxpk= 0, iat=1482, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1530,1531,1532,
&end
#
# 54 ILE QD1 88 ASN HN 4.81 (#peak 3324 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3324, nxpk= 0, iat= -1,1379, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 814, 815, 816,
&end
#
# 62 THR HA 66 ASN HN 4.76 (#peak 3335 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3335, nxpk= 0, iat= 949,1017, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 20 ILE HA 24 LYS HN 5.01 (#peak 3338 #SUP 0.97 #QF 0.97)
&rst
ixpk= 3338, nxpk= 0, iat= 250, 329, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 86 VAL HA 89 CYS HN 4.89 (#peak 3343 #SUP 0.85 #QF 0.85)
&rst
ixpk= 3343, nxpk= 0, iat=1354,1393, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 86 VAL HA 90 LEU HN 4.93 (#peak 3344 #SUP 0.85 #QF 0.85)
&rst
ixpk= 3344, nxpk= 0, iat=1354,1404, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 54 ILE HN 54 ILE QG2 4.11 (#peak 3346 #SUP 0.87 #QF 0.87)
&rst
ixpk= 3346, nxpk= 0, iat= 801, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 807, 808, 809,
&end
#
# 54 ILE QG2 56 LYS HA 4.67 (#peak 3347 #SUP 1.00)
&rst
ixpk= 3347, nxpk= 0, iat= -1, 844, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 807, 808, 809,
&end
#
# 54 ILE QG2 88 ASN HA 4.64 (#peak 3348 #SUP 1.00)
&rst
ixpk= 3348, nxpk= 0, iat= -1,1381, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 807, 808, 809,
&end
#
# 50 TYR QE 57 PRO HA 4.98 (#peak 3349 #SUP 1.00)
&rst
ixpk= 3349, nxpk= 0, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 742, 747,
&end
#
# 56 LYS HN 57 PRO HD3 4.84 (#peak 3350 #SUP 1.00)
&rst
ixpk= 3350, nxpk= 0, iat= 842, 866, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 56 LYS HN 57 PRO HD2 4.84 (#peak 3351 #SUP 0.92 #QF 0.92)
&rst
ixpk= 3351, nxpk= 0, iat= 842, 865, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 35 GLY HA3 37 ILE HG13 5.38 (#peak 3358 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3358, nxpk= 0, iat= 518, 547, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 35 GLY HA3 37 ILE HG12 5.38 (#peak 3359 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3359, nxpk= 0, iat= 518, 546, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 37 ILE HG13 38 PHE HN 5.45 (#peak 3360 #SUP 1.00)
&rst
ixpk= 3360, nxpk= 0, iat= 547, 555, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 37 ILE HG12 38 PHE HN 5.45 (#peak 3361 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3361, nxpk= 0, iat= 546, 555, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 53 HID HD2 92 TYR QD 4.93 (#peak 3362 #SUP 0.89 #QF 0.89)
&rst
ixpk= 3362, nxpk= 0, iat= 797, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2=1453,1462,
&end
#
# 5 ALY HZ 47 VAL QG2 4.93 (#peak 3364 #SUP 0.93 #QF 0.93)
&rst
ixpk= 3364, nxpk= 0, iat= 69, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 700, 701, 702,
&end
#
# 7 GLY QA 53 HID HD2 5.50 (#peak 3366 #SUP 0.65 #QF 0.65)
&rst
ixpk= 3366, nxpk= 0, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 88, 89,
&end
#
# 94 ALA HA 95 LYS HA 5.08 (#peak 3367 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3367, nxpk= 0, iat=1482,1492, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 87 SER HA 90 LEU HB3 4.88 (#peak 3369 #SUP 0.60 #QF 0.60)
&rst
ixpk= 3369, nxpk= 0, iat=1370,1409, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 89 CYS HN 90 LEU QD1 4.98 (#peak 3372 #SUP 0.92 #QF 0.92)
&rst
ixpk= 3372, nxpk= 0, iat=1393, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1413,1414,1415,
&end
#
# 89 CYS HG 90 LEU QD2 4.31 (#peak 3374 #SUP 0.80 #QF 0.80)
&rst
ixpk= 3374, nxpk= 0, iat=1400, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2=1417,1418,1419,
&end
#
# 91 LYS HG2 92 TYR HN 5.11 (#peak 3375 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3375, nxpk= 0, iat=1430,1445, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 91 LYS HG3 92 TYR HN 5.11 (#peak 3376 #SUP 0.85 #QF 0.85)
&rst
ixpk= 3376, nxpk= 0, iat=1431,1445, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 91 LYS QB 92 TYR HA 5.06 (#peak 3377 #SUP 0.99 #QF 0.39)
&rst
ixpk= 3377, nxpk= 0, iat= -1,1447, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1427,1428,
&end
#
# 91 LYS HN 92 TYR HB2 5.38 (#peak 3378 #SUP 0.99 #QF 0.23)
&rst
ixpk= 3378, nxpk= 0, iat=1423,1449, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 92 TYR HB2 93 ASN HN 5.50 (#peak 3378 #SUP 0.99 #QF 0.23)
&rst
ixpk= 3378, nxpk= 0, iat=1449,1466, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 91 LYS HN 92 TYR HB3 5.38 (#peak 3379 #SUP 1.00 #QF 0.26)
&rst
ixpk= 3379, nxpk= 0, iat=1423,1450, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 92 TYR HB3 93 ASN HN 5.50 (#peak 3379 #SUP 1.00 #QF 0.26)
&rst
ixpk= 3379, nxpk= 0, iat=1450,1466, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 94 ALA QB 95 LYS HG3 4.95 (#peak 3381 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3381, nxpk= 0, iat= -1,1498, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1484,1485,1486,
&end
#
# 94 ALA QB 95 LYS HG2 4.95 (#peak 3382 #SUP 0.89 #QF 0.89)
&rst
ixpk= 3382, nxpk= 0, iat= -1,1497, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1484,1485,1486,
&end
#
# 97 THR HB 100 TYR HN 5.38 (#peak 3385 #SUP 0.96 #QF 0.93)
&rst
ixpk= 3385, nxpk= 0, iat=1528,1577, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 95 LYS HN 97 THR QG2 4.76 (#peak 3386 #SUP 0.83 #QF 0.83)
&rst
ixpk= 3386, nxpk= 0, iat=1490, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1530,1531,1532,
&end
#
# 97 THR HA 98 ILE HB 4.65 (#peak 3387 #SUP 0.97 #QF 0.97)
&rst
ixpk= 3387, nxpk= 0, iat=1526,1542, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 98 ILE HB 99 PHE HN 5.14 (#peak 3388 #SUP 0.85 #QF 0.85)
&rst
ixpk= 3388, nxpk= 0, iat=1542,1557, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 5 ALY QI 98 ILE QG2 5.12 (#peak 3389 #SUP 0.83 #QF 0.83)
&rst
ixpk= 3389, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.38, r4= 7.88,
igr1= 73, 74, 75,
igr2=1544,1545,1546,
&end
#
# 32 LYS HA 33 ASP HA 4.85 (#peak 3392 #SUP 0.83 #QF 0.83)
&rst
ixpk= 3392, nxpk= 0, iat= 469, 491, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 33 ASP HB2 60 PHE HZ 4.99 (#peak 3393 #SUP 0.97 #QF 0.97)
&rst
ixpk= 3393, nxpk= 0, iat= 493, 919, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 43 PRO HB3 46 GLU HN 4.91 (#peak 3400 #SUP 0.94 #QF 0.94)
&rst
ixpk= 3400, nxpk= 0, iat= 639, 675, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 43 PRO HG2 46 GLU HN 4.97 (#peak 3401 #SUP 0.94 #QF 0.94)
&rst
ixpk= 3401, nxpk= 0, iat= 635, 675, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 45 SER HN 46 GLU HA 5.49 (#peak 3403 #SUP 0.88 #QF 0.88)
&rst
ixpk= 3403, nxpk= 0, iat= 664, 677, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 47 VAL HN 48 PRO QG 5.29 (#peak 3405 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3405, nxpk= 0, iat= 690, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 710, 711,
&end
#
# 47 VAL HB 50 TYR HB2 4.80 (#peak 3408 #SUP 0.99 #QF 0.98)
&rst
ixpk= 3408, nxpk= 0, iat= 694, 736, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 113 VAL QG1 116 GLN HE21 5.11 (#peak 3409 #SUP 1.00)
&rst
ixpk= 3409, nxpk= 0, iat= -1,1852, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1=1787,1788,1789,
&end
#
# 53 HID HN 54 ILE HB 5.00 (#peak 3412 #SUP 0.76 #QF 0.76)
&rst
ixpk= 3412, nxpk= 0, iat= 784, 805, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 56 LYS HA 56 LYS HD2 5.06 (#peak 3414 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3414, nxpk= 0, iat= 844, 852, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 118 ARG HB2 118 ARG HE 4.64 (#peak 3416 #SUP 0.86 #QF 0.86)
&rst
ixpk= 3416, nxpk= 0, iat=1871,1880, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 118 ARG QG 118 ARG QH1 4.31 (#peak 3417 #SUP 0.85 #QF 0.85)
&rst
ixpk= 3417, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1874,1875,
igr2=1883,1884,
&end
#
# 66 ASN HB2 72 TYR QE 4.85 (#peak 3420 #SUP 0.95 #QF 0.95)
&rst
ixpk= 3420, nxpk= 0, iat=1021, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1130,1135,
&end
#
# 66 ASN HB3 72 TYR QE 4.84 (#peak 3421 #SUP 0.96 #QF 0.96)
&rst
ixpk= 3421, nxpk= 0, iat=1022, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1130,1135,
&end
#
# 58 MET QE 84 LEU QD2 3.37 (#peak 3423 #SUP 0.94 #QF 0.94)
&rst
ixpk= 3423, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 889, 890, 891,
igr2=1327,1328,1329,
&end
#
# 19 LEU QD1 70 TYR HB3 5.50 (#peak 3424 #SUP 1.00 #QF 0.84)
&rst
ixpk= 3424, nxpk= 0, iat= -1,1080, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 238, 239, 240,
&end
#
# 70 TYR HB3 73 LEU QD2 4.48 (#peak 3425 #SUP 0.95 #QF 0.95)
&rst
ixpk= 3425, nxpk= 0, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1154,1155,1156,
&end
#
# 113 VAL QG1 116 GLN HN 5.50 (#peak 3426 #SUP 1.00 #QF 0.87)
&rst
ixpk= 3426, nxpk= 0, iat= -1,1840, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1787,1788,1789,
&end
#
# 86 VAL QG1 89 CYS HN 4.68 (#peak 3427 #SUP 0.86 #QF 0.86)
&rst
ixpk= 3427, nxpk= 0, iat= -1,1393, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1=1358,1359,1360,
&end
#
# 27 GLU HA 29 LEU HN 4.67 (#peak 3429 #SUP 1.00 #QF 0.29)
&rst
ixpk= 3429, nxpk= 0, iat= 386, 416, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 101 ARG HA 101 ARG HD2 4.61 (#peak 3430 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3430, nxpk= 0, iat=1600,1608, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 42 VAL QG1 44 LEU HA 4.74 (#peak 3439 #SUP 0.97 #QF 0.97)
&rst
ixpk= 3439, nxpk= 0, iat= -1, 647, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 621, 622, 623,
&end
#
# 37 ILE QD1 103 ALA HN 5.32 (#peak 3442 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3442, nxpk= 0, iat= -1,1632, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 549, 550, 551,
&end
#
# 37 ILE HN 38 PHE QE 5.50 (#peak 3448 #SUP 0.96 #QF 0.84)
&rst
ixpk= 3448, nxpk= 0, iat= 536, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 565, 569,
&end
#
# 82 PHE QE 110 GLY HN 5.50 (#peak 3448 #SUP 0.96 #QF 0.84)
&rst
ixpk= 3448, nxpk= 0, iat= -1,1757, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1290,1294,
&end
#
# 18 PHE QE 22 LEU HG 4.76 (#peak 3450 #SUP 0.96 #QF 0.58)
&rst
ixpk= 3450, nxpk= 0, iat= -1, 293, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 219, 223,
&end
#
# 18 PHE QE 121 ALA HN 5.09 (#peak 3451 #SUP 0.65 #QF 0.65)
&rst
ixpk= 3451, nxpk= 0, iat= -1,1932, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 219, 223,
&end
#
# 50 TYR QE 54 ILE HG13 5.50 (#peak 3454 #SUP 0.95 #QF 0.95)
&rst
ixpk= 3454, nxpk= 0, iat= -1, 812, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 742, 747,
&end
#
# 98 ILE QG2 99 PHE HZ 4.81 (#peak 3456 #SUP 1.00)
&rst
ixpk= 3456, nxpk= 0, iat= -1,1569, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1=1544,1545,1546,
&end
#
# 47 VAL QG1 49 ASP HN 3.81 (#peak 3467 #SUP 0.94 #QF 0.94)
&rst
ixpk= 3467, nxpk= 0, iat= -1, 720, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 696, 697, 698,
&end
#
# 21 LEU QD1 75 PHE QE 5.20 (#peak 3473 #SUP 0.92 #QF 0.77)
&rst
ixpk= 3473, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 276, 277, 278,
igr2=1184,1188,
&end
#
# 98 ILE QG1 99 PHE QD 5.50 (#peak 3473 #SUP 0.92 #QF 0.77)
&rst
ixpk= 3473, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1548,1549,
igr2=1565,1573,
&end
#
# 75 PHE QE 118 ARG QG 5.50 (#peak 3474 #SUP 1.00 #QF 0.98)
&rst
ixpk= 3474, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1184,1188,
igr2=1874,1875,
&end
#
# 82 PHE HB2 114 LEU QD1 4.77 (#peak 3475 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3475, nxpk= 0, iat=1284, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2=1806,1807,1808,
&end
#
# 29 LEU QD2 82 PHE HB2 5.28 (#peak 3476 #SUP 0.96 #QF 0.96)
&rst
ixpk= 3476, nxpk= 0, iat= -1,1284, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 429, 430, 431,
&end
#
# 29 LEU QD1 82 PHE HZ 4.85 (#peak 3480 #SUP 0.99 #QF 0.65)
&rst
ixpk= 3480, nxpk= 0, iat= -1,1292, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 425, 426, 427,
&end
#
# 82 PHE HZ 106 LEU QD1 5.35 (#peak 3480 #SUP 0.99 #QF 0.65)
&rst
ixpk= 3480, nxpk= 0, iat=1292, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2=1691,1692,1693,
&end
#
# 82 PHE QD 86 VAL QG2 3.98 (#peak 3482 #SUP 0.87 #QF 0.87)
&rst
ixpk= 3482, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1288,1296,
igr2=1362,1363,1364,
&end
#
# 51 LEU QD1 52 ASP HN 4.84 (#peak 3488 #SUP 0.91 #QF 0.91)
&rst
ixpk= 3488, nxpk= 0, iat= -1, 772, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 762, 763, 764,
&end
#
# 39 SER HA 60 PHE HB3 3.95 (#peak 3489 #SUP 0.97 #QF 0.97)
&rst
ixpk= 3489, nxpk= 0, iat= 577, 912, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 22 LEU HN 67 LEU QD1 4.50 (#peak 3494 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3494, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1040,1041,1042,
&end
#
# 67 LEU QD1 68 GLU HN 4.82 (#peak 3495 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3495, nxpk= 0, iat= -1,1050, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1=1040,1041,1042,
&end
#
# 67 LEU QD1 78 PHE QD 4.36 (#peak 3496 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3496, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1040,1041,1042,
igr2=1226,1234,
&end
#
# 75 PHE QE 114 LEU HB3 4.90 (#peak 3499 #SUP 0.82 #QF 0.82)
&rst
ixpk= 3499, nxpk= 0, iat= -1,1802, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1184,1188,
&end
#
# 42 VAL HA 43 PRO HD3 3.30 (#peak 3501 #SUP 0.96 #QF 0.96)
&rst
ixpk= 3501, nxpk= 0, iat= 617, 633, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 42 VAL HA 43 PRO HD2 3.27 (#peak 3502 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3502, nxpk= 0, iat= 617, 632, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 55 LYS HA 55 LYS HG2 3.86 (#peak 3505 #SUP 1.00)
&rst
ixpk= 3505, nxpk= 0, iat= 822, 827, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 21 LEU HA 25 THR HG1 5.05 (#peak 3506 #SUP 0.66 #QF 0.66)
&rst
ixpk= 3506, nxpk= 0, iat= 269, 361, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 22 LEU HA 78 PHE HZ 5.05 (#peak 3507 #SUP 0.91 #QF 0.91)
&rst
ixpk= 3507, nxpk= 0, iat= 288,1230, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 22 LEU HA 75 PHE QE 5.09 (#peak 3508 #SUP 0.92 #QF 0.92)
&rst
ixpk= 3508, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr2=1184,1188,
&end
#
# 22 LEU HA 26 LEU HN 4.86 (#peak 3509 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3509, nxpk= 0, iat= 288, 365, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 22 LEU HG 23 ARG HN 5.14 (#peak 3512 #SUP 0.90 #QF 0.90)
&rst
ixpk= 3512, nxpk= 0, iat= 293, 305, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 22 LEU QD2 25 THR HG1 4.46 (#peak 3513 #SUP 0.80 #QF 0.80)
&rst
ixpk= 3513, nxpk= 0, iat= -1, 361, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 299, 300, 301,
&end
#
# 26 LEU QD2 60 PHE QD 4.58 (#peak 3516 #SUP 0.91 #QF 0.91)
&rst
ixpk= 3516, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 378, 379, 380,
igr2= 915, 923,
&end
#
# 26 LEU QD2 78 PHE QE 4.10 (#peak 3517 #SUP 1.00)
&rst
ixpk= 3517, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 378, 379, 380,
igr2=1228,1232,
&end
#
# 26 LEU QD2 78 PHE HZ 4.73 (#peak 3518 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3518, nxpk= 0, iat= -1,1230, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 378, 379, 380,
&end
#
# 29 LEU HA 60 PHE HZ 5.37 (#peak 3520 #SUP 0.99 #QF 0.91)
&rst
ixpk= 3520, nxpk= 0, iat= 418, 919, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 29 LEU HA 82 PHE QE 5.50 (#peak 3520 #SUP 0.99 #QF 0.91)
&rst
ixpk= 3520, nxpk= 0, iat= 418, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1290,1294,
&end
#
# 29 LEU HA 32 LYS HN 4.71 (#peak 3521 #SUP 0.56 #QF 0.56)
&rst
ixpk= 3521, nxpk= 0, iat= 418, 467, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 29 LEU HB2 60 PHE HZ 5.44 (#peak 3522 #SUP 1.00 #QF 0.88)
&rst
ixpk= 3522, nxpk= 0, iat= 420, 919, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 29 LEU HB2 60 PHE QE 4.96 (#peak 3523 #SUP 0.99 #QF 0.86)
&rst
ixpk= 3523, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 917, 921,
&end
#
# 29 LEU HB3 60 PHE HZ 5.44 (#peak 3524 #SUP 1.00 #QF 0.96)
&rst
ixpk= 3524, nxpk= 0, iat= 421, 919, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 29 LEU HB3 60 PHE QE 4.96 (#peak 3525 #SUP 0.88 #QF 0.88)
&rst
ixpk= 3525, nxpk= 0, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 917, 921,
&end
#
# 26 LEU HA 29 LEU HB3 4.94 (#peak 3527 #SUP 0.95 #QF 0.95)
&rst
ixpk= 3527, nxpk= 0, iat= 367, 421, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 29 LEU QD1 110 GLY HN 4.36 (#peak 3528 #SUP 0.97 #QF 0.97)
&rst
ixpk= 3528, nxpk= 0, iat= -1,1757, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 425, 426, 427,
&end
#
# 28 GLN HN 29 LEU QD1 5.50 (#peak 3529 #SUP 0.97 #QF 0.97)
&rst
ixpk= 3529, nxpk= 0, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 425, 426, 427,
&end
#
# 29 LEU QD1 111 GLY HN 4.91 (#peak 3530 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3530, nxpk= 0, iat= -1,1764, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 425, 426, 427,
&end
#
# 29 LEU QD1 60 PHE QE 4.47 (#peak 3531 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3531, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 425, 426, 427,
igr2= 917, 921,
&end
#
# 29 LEU QD2 30 GLN HN 4.77 (#peak 3532 #SUP 0.95 #QF 0.95)
&rst
ixpk= 3532, nxpk= 0, iat= -1, 435, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 429, 430, 431,
&end
#
# 32 LYS QD 33 ASP HN 5.50 (#peak 3533 #SUP 0.94 #QF 0.67)
&rst
ixpk= 3533, nxpk= 0, iat= -1, 489, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 477, 478,
&end
#
# 33 ASP HA 106 LEU QD2 4.08 (#peak 3534 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3534, nxpk= 0, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2=1695,1696,1697,
&end
#
# 30 GLN HA 33 ASP HB2 4.66 (#peak 3535 #SUP 0.87 #QF 0.87)
&rst
ixpk= 3535, nxpk= 0, iat= 437, 493, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 36 ASN HB3 39 SER HN 5.18 (#peak 3538 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3538, nxpk= 0, iat= 527, 575, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 37 ILE QG2 38 PHE HA 3.88 (#peak 3539 #SUP 0.95 #QF 0.95)
&rst
ixpk= 3539, nxpk= 0, iat= -1, 557, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 542, 543, 544,
&end
#
# 30 GLN HE22 39 SER HB3 5.17 (#peak 3540 #SUP 0.95 #QF 0.95)
&rst
ixpk= 3540, nxpk= 0, iat= 448, 580, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 30 GLN HE21 39 SER HB3 5.17 (#peak 3541 #SUP 0.82 #QF 0.82)
&rst
ixpk= 3541, nxpk= 0, iat= 447, 580, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 38 PHE HN 39 SER HB2 4.80 (#peak 3544 #SUP 0.97 #QF 0.97)
&rst
ixpk= 3544, nxpk= 0, iat= 555, 579, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 38 PHE HN 39 SER HB3 5.50 (#peak 3545 #SUP 1.00)
&rst
ixpk= 3545, nxpk= 0, iat= 555, 580, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 PRO HD3 61 PHE QD 5.09 (#peak 3546 #SUP 0.77 #QF 0.77)
&rst
ixpk= 3546, nxpk= 0, iat= 603, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr2= 935, 943,
&end
#
# 86 VAL QG1 107 ARG HB2 3.04 (#peak 3549 #SUP 0.82 #QF 0.54)
&rst
ixpk= 3549, nxpk= 0, iat= -1,1705, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr1=1358,1359,1360,
&end
#
# 46 GLU HA 47 VAL QG2 4.30 (#peak 3551 #SUP 0.91 #QF 0.91)
&rst
ixpk= 3551, nxpk= 0, iat= 677, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 700, 701, 702,
&end
#
# 51 LEU HA 54 ILE HB 4.71 (#peak 3552 #SUP 0.97 #QF 0.97)
&rst
ixpk= 3552, nxpk= 0, iat= 755, 805, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 51 LEU HG 52 ASP HN 5.18 (#peak 3554 #SUP 1.00)
&rst
ixpk= 3554, nxpk= 0, iat= 760, 772, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 53 HID HB3 54 ILE QD1 5.09 (#peak 3555 #SUP 0.94 #QF 0.94)
&rst
ixpk= 3555, nxpk= 0, iat= 789, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 814, 815, 816,
&end
#
# 53 HID HB2 54 ILE QD1 5.09 (#peak 3556 #SUP 0.71 #QF 0.71)
&rst
ixpk= 3556, nxpk= 0, iat= 788, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 814, 815, 816,
&end
#
# 54 ILE QG2 55 LYS HA 4.74 (#peak 3559 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3559, nxpk= 0, iat= -1, 822, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 807, 808, 809,
&end
#
# 56 LYS HA 56 LYS HD3 5.06 (#peak 3560 #SUP 0.91 #QF 0.91)
&rst
ixpk= 3560, nxpk= 0, iat= 844, 853, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 63 MET HA 72 TYR HH 4.47 (#peak 3564 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3564, nxpk= 0, iat= 963,1133, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 63 MET HB2 85 ILE QD1 5.50 (#peak 3565 #SUP 0.52 #QF 0.29)
&rst
ixpk= 3565, nxpk= 0, iat= 965, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1346,1347,1348,
&end
#
# 63 MET HB2 72 TYR HH 5.18 (#peak 3566 #SUP 0.84 #QF 0.84)
&rst
ixpk= 3566, nxpk= 0, iat= 965,1133, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 63 MET HB3 72 TYR HH 5.18 (#peak 3567 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3567, nxpk= 0, iat= 966,1133, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 64 LYS HE2 68 GLU HG2 5.50 (#peak 3570 #SUP 0.98 #QF 0.79)
&rst
ixpk= 3570, nxpk= 0, iat= 991,1057, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 LYS HE3 68 GLU HG2 5.50 (#peak 3570 #SUP 0.98 #QF 0.79)
&rst
ixpk= 3570, nxpk= 0, iat= 992,1057, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 LEU QD2 68 GLU HG3 4.90 (#peak 3571 #SUP 0.97 #QF 0.97)
&rst
ixpk= 3571, nxpk= 0, iat= -1,1058, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1044,1045,1046,
&end
#
# 67 LEU QD2 68 GLU HG2 4.90 (#peak 3572 #SUP 0.78 #QF 0.78)
&rst
ixpk= 3572, nxpk= 0, iat= -1,1057, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1044,1045,1046,
&end
#
# 72 TYR QD 72 TYR HH 5.09 (#peak 3574 #SUP 1.00)
&rst
ixpk= 3574, nxpk= 0, iat= -1,1133, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=1128,1137,
&end
#
# 95 LYS HA 100 TYR QD 4.77 (#peak 3579 #SUP 0.37 #QF 0.37)
&rst
ixpk= 3579, nxpk= 0, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2=1585,1594,
&end
#
# 95 LYS HB2 100 TYR QE 5.50 (#peak 3582 #SUP 0.76 #QF 0.57)
&rst
ixpk= 3582, nxpk= 0, iat=1494, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1587,1592,
&end
#
# 95 LYS HB3 100 TYR QE 5.50 (#peak 3582 #SUP 0.76 #QF 0.57)
&rst
ixpk= 3582, nxpk= 0, iat=1495, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1587,1592,
&end
#
# 95 LYS HB3 96 ASP HN 5.18 (#peak 3583 #SUP 0.97 #QF 0.97)
&rst
ixpk= 3583, nxpk= 0, iat=1495,1512, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 95 LYS HB2 96 ASP HN 5.18 (#peak 3584 #SUP 0.99 #QF 0.97)
&rst
ixpk= 3584, nxpk= 0, iat=1494,1512, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 5 ALY QI 99 PHE HA 4.69 (#peak 3587 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3587, nxpk= 0, iat= -1,1559, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 73, 74, 75,
&end
#
# 89 CYS HG 99 PHE HA 5.40 (#peak 3587 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3587, nxpk= 0, iat=1400,1559, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 5 ALY HZ 42 VAL QG1 4.70 (#peak 3589 #SUP 0.99 #QF 0.99)
&rst
ixpk= 3589, nxpk= 0, iat= 69, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2= 621, 622, 623,
&end
#
# 97 THR HG1 100 TYR HB3 5.03 (#peak 3596 #SUP 0.98 #QF 0.98)
&rst
ixpk= 3596, nxpk= 0, iat=1534,1582, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 5 ALY QI 99 PHE HB3 5.32 (#peak 3597 #SUP 0.95 #QF 0.92)
&rst
ixpk= 3597, nxpk= 0, iat= -1,1562, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 73, 74, 75,
&end
#
# 4 GLY QA 94 ALA HN 4.47 (#peak 525)
&rst
ixpk= 525, nxpk= 0, iat= -1,1480, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 48, 49,
&end
#
# 4 GLY QA 94 ALA HA 4.52 (#peak 2304)
&rst
ixpk= 2304, nxpk= 0, iat= -1,1482, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 48, 49,
&end
#
# 4 GLY QA 94 ALA QB 4.09 (#peak 2301)
&rst
ixpk= 2301, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 48, 49,
igr2=1484,1485,1486,
&end
#
# 5 ALY QB 99 PHE QE 5.11 (#peak 2856)
&rst
ixpk= 2856, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 57, 58,
igr2=1567,1571,
&end
#
# 5 ALY QG 47 VAL QG1 3.81 (#peak 3078)
&rst
ixpk= 3078, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 60, 61,
igr2= 696, 697, 698,
&end
#
# 5 ALY QG 92 TYR QE 4.17 (#peak 2707)
&rst
ixpk= 2707, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 60, 61,
igr2=1455,1460,
&end
#
# 5 ALY QI 89 CYS QB 4.89 (#peak 2928)
&rst
ixpk= 2928, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 73, 74, 75,
igr2=1397,1398,
&end
#
# 5 ALY QI 99 PHE QB 4.47 (#peak 3249)
&rst
ixpk= 3249, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 73, 74, 75,
igr2=1561,1562,
&end
#
# 15 SER HN 15 SER QB 3.30 (#peak 824)
&rst
ixpk= 824, nxpk= 0, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 184, 185,
&end
#
# 16 SER HN 16 SER QB 3.64 (#peak 949)
&rst
ixpk= 949, nxpk= 0, iat= 191, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2= 195, 196,
&end
#
# 16 SER QB 17 GLY HN 3.65 (#peak 948)
&rst
ixpk= 948, nxpk= 0, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 195, 196,
&end
#
# 16 SER QB 18 PHE HN 4.58 (#peak 487)
&rst
ixpk= 487, nxpk= 0, iat= -1, 209, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 195, 196,
&end
#
# 16 SER QB 19 LEU HB2 4.14 (#peak 957)
&rst
ixpk= 957, nxpk= 0, iat= -1, 233, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 195, 196,
&end
#
# 16 SER QB 19 LEU HG 4.18 (#peak 1422)
&rst
ixpk= 1422, nxpk= 0, iat= -1, 236, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 195, 196,
&end
#
# 16 SER QB 19 LEU QD1 3.01 (#peak 1935)
&rst
ixpk= 1935, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 195, 196,
igr2= 238, 239, 240,
&end
#
# 17 GLY QA 19 LEU HN 5.31 (#peak 830)
&rst
ixpk= 830, nxpk= 0, iat= -1, 229, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 204, 205,
&end
#
# 17 GLY QA 20 ILE HB 3.94 (#peak 21)
&rst
ixpk= 21, nxpk= 0, iat= -1, 252, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 204, 205,
&end
#
# 17 GLY QA 20 ILE QD1 3.19 (#peak 24)
&rst
ixpk= 24, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 204, 205,
igr2= 261, 262, 263,
&end
#
# 18 PHE QB 19 LEU HN 3.81 (#peak 155)
&rst
ixpk= 155, nxpk= 0, iat= -1, 229, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 213, 214,
&end
#
# 18 PHE QB 124 MET QE 3.65 (#peak 2402)
&rst
ixpk= 2402, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 213, 214,
igr2=1990,1991,1992,
&end
#
# 18 PHE QE 72 TYR QB 5.05 (#peak 3479)
&rst
ixpk= 3479, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 219, 223,
igr2=1124,1125,
&end
#
# 19 LEU QD1 70 TYR QB 4.68 (#peak 658)
&rst
ixpk= 658, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1= 238, 239, 240,
igr2=1079,1080,
&end
#
# 19 LEU QD2 70 TYR QB 5.34 (#peak 658)
&rst
ixpk= 658, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 242, 243, 244,
igr2=1079,1080,
&end
#
# 20 ILE HN 20 ILE QG1 3.36 (#peak 261)
&rst
ixpk= 261, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 258, 259,
&end
#
# 20 ILE HA 20 ILE QG1 3.30 (#peak 792)
&rst
ixpk= 792, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 258, 259,
&end
#
# 20 ILE HA 23 ARG QG 4.02 (#peak 791)
&rst
ixpk= 791, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2= 312, 313,
&end
#
# 20 ILE HA 23 ARG QD 4.27 (#peak 789)
&rst
ixpk= 789, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 315, 316,
&end
#
# 20 ILE QG2 20 ILE QG1 2.80 (#peak 2412)
&rst
ixpk= 2412, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 254, 255, 256,
igr2= 258, 259,
&end
#
# 20 ILE QG2 23 ARG QG 3.78 (#peak 2410)
&rst
ixpk= 2410, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 254, 255, 256,
igr2= 312, 313,
&end
#
# 20 ILE QG2 23 ARG QD 4.55 (#peak 2995)
&rst
ixpk= 2995, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 254, 255, 256,
igr2= 315, 316,
&end
#
# 20 ILE QG2 24 LYS QD 3.98 (#peak 1234)
&rst
ixpk= 1234, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 254, 255, 256,
igr2= 339, 340,
&end
#
# 21 LEU HA 24 LYS QD 4.73 (#peak 1886)
&rst
ixpk= 1886, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 339, 340,
&end
#
# 21 LEU QD2 120 GLN QE2 3.87 (#peak 744)
&rst
ixpk= 744, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 280, 281, 282,
igr2=1927,1928,
&end
#
# 22 LEU HN 22 LEU QB 3.63 (#peak 45)
&rst
ixpk= 45, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 290, 291,
&end
#
# 22 LEU QD1 72 TYR QB 3.28 (#peak 1585)
&rst
ixpk= 1585, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 295, 296, 297,
igr2=1124,1125,
&end
#
# 22 LEU QD1 78 PHE QB 3.83 (#peak 2784)
&rst
ixpk= 2784, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 295, 296, 297,
igr2=1222,1223,
&end
#
# 22 LEU QD2 72 TYR QB 4.58 (#peak 3514)
&rst
ixpk= 3514, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 299, 300, 301,
igr2=1124,1125,
&end
#
# 22 LEU QD2 78 PHE QB 3.77 (#peak 2260)
&rst
ixpk= 2260, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 299, 300, 301,
igr2=1222,1223,
&end
#
# 23 ARG HN 23 ARG QG 3.76 (#peak 137)
&rst
ixpk= 137, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 312, 313,
&end
#
# 23 ARG HN 23 ARG QD 4.81 (#peak 607)
&rst
ixpk= 607, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 315, 316,
&end
#
# 23 ARG HA 26 LEU QB 4.12 (#peak 1438)
&rst
ixpk= 1438, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 369, 370,
&end
#
# 23 ARG QG 67 LEU QD2 5.34 (#peak 1200)
&rst
ixpk= 1200, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 312, 313,
igr2=1044,1045,1046,
&end
#
# 23 ARG QD 23 ARG QH2 4.32 (#peak 2993)
&rst
ixpk= 2993, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 315, 316,
igr2= 324, 325,
&end
#
# 24 LYS HA 24 LYS QD 4.68 (#peak 3003)
&rst
ixpk= 3003, nxpk= 0, iat= 331, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 339, 340,
&end
#
# 24 LYS QB 24 LYS QD 3.44 (#peak 1218)
&rst
ixpk= 1218, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 333, 334,
igr2= 339, 340,
&end
#
# 25 THR HA 28 GLN QB 3.73 (#peak 652)
&rst
ixpk= 652, nxpk= 0, iat= 353, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 403, 404,
&end
#
# 25 THR HA 28 GLN QG 4.50 (#peak 2519)
&rst
ixpk= 2519, nxpk= 0, iat= 353, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 406, 407,
&end
#
# 26 LEU HN 26 LEU QB 3.43 (#peak 33)
&rst
ixpk= 33, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2= 369, 370,
&end
#
# 26 LEU QB 26 LEU QD2 3.00 (#peak 1528)
&rst
ixpk= 1528, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 369, 370,
igr2= 378, 379, 380,
&end
#
# 26 LEU QB 27 GLU HN 3.87 (#peak 247)
&rst
ixpk= 247, nxpk= 0, iat= -1, 384, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 369, 370,
&end
#
# 26 LEU QB 78 PHE QE 3.95 (#peak 259)
&rst
ixpk= 259, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 369, 370,
igr2=1228,1232,
&end
#
# 26 LEU QB 78 PHE HZ 4.01 (#peak 245)
&rst
ixpk= 245, nxpk= 0, iat= -1,1230, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 369, 370,
&end
#
# 26 LEU QD1 30 GLN QG 4.75 (#peak 3031)
&rst
ixpk= 3031, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 374, 375, 376,
igr2= 442, 443,
&end
#
# 26 LEU QD2 64 LYS QB 3.32 (#peak 2786)
&rst
ixpk= 2786, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 378, 379, 380,
igr2= 982, 983,
&end
#
# 26 LEU QD2 64 LYS QD 3.52 (#peak 2788)
&rst
ixpk= 2788, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 378, 379, 380,
igr2= 988, 989,
&end
#
# 27 GLU HN 27 GLU QB 3.06 (#peak 313)
&rst
ixpk= 313, nxpk= 0, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr2= 388, 389,
&end
#
# 27 GLU HA 27 GLU QG 3.38 (#peak 527)
&rst
ixpk= 527, nxpk= 0, iat= 386, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 391, 392,
&end
#
# 27 GLU HA 30 GLN QG 4.02 (#peak 2505)
&rst
ixpk= 2505, nxpk= 0, iat= 386, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2= 442, 443,
&end
#
# 27 GLU HA 30 GLN QE2 5.12 (#peak 1059)
&rst
ixpk= 1059, nxpk= 0, iat= 386, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 447, 448,
&end
#
# 27 GLU QB 28 GLN HN 3.55 (#peak 255)
&rst
ixpk= 255, nxpk= 0, iat= -1, 399, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1= 388, 389,
&end
#
# 27 GLU QG 28 GLN HN 4.50 (#peak 3017)
&rst
ixpk= 3017, nxpk= 0, iat= -1, 399, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 391, 392,
&end
#
# 28 GLN HN 28 GLN QG 3.26 (#peak 253)
&rst
ixpk= 253, nxpk= 0, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2= 406, 407,
&end
#
# 28 GLN HA 28 GLN QG 3.30 (#peak 1646)
&rst
ixpk= 1646, nxpk= 0, iat= 401, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 406, 407,
&end
#
# 28 GLN HA 31 GLU QB 3.44 (#peak 1079)
&rst
ixpk= 1079, nxpk= 0, iat= 401, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 456, 457,
&end
#
# 28 GLN HA 31 GLU QG 3.46 (#peak 3034)
&rst
ixpk= 3034, nxpk= 0, iat= 401, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 459, 460,
&end
#
# 28 GLN QB 28 GLN QE2 4.03 (#peak 764)
&rst
ixpk= 764, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 403, 404,
igr2= 411, 412,
&end
#
# 28 GLN QB 29 LEU HN 3.87 (#peak 160)
&rst
ixpk= 160, nxpk= 0, iat= -1, 416, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 403, 404,
&end
#
# 28 GLN QB 113 VAL QG1 3.01 (#peak 2215)
&rst
ixpk= 2215, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 403, 404,
igr2=1787,1788,1789,
&end
#
# 28 GLN QB 113 VAL QG2 4.38 (#peak 1045)
&rst
ixpk= 1045, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 403, 404,
igr2=1791,1792,1793,
&end
#
# 28 GLN QG 28 GLN QE2 3.20 (#peak 763)
&rst
ixpk= 763, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 406, 407,
igr2= 411, 412,
&end
#
# 28 GLN QG 113 VAL QG1 4.26 (#peak 3019)
&rst
ixpk= 3019, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 406, 407,
igr2=1787,1788,1789,
&end
#
# 28 GLN QE2 113 VAL QG1 5.34 (#peak 3426)
&rst
ixpk= 3426, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 411, 412,
igr2=1787,1788,1789,
&end
#
# 28 GLN QE2 113 VAL QG2 5.34 (#peak 2167)
&rst
ixpk= 2167, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 411, 412,
igr2=1791,1792,1793,
&end
#
# 29 LEU HN 29 LEU QB 3.36 (#peak 149)
&rst
ixpk= 149, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 420, 421,
&end
#
# 29 LEU HA 32 LYS QG 4.20 (#peak 1891)
&rst
ixpk= 1891, nxpk= 0, iat= 418, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 474, 475,
&end
#
# 29 LEU QB 29 LEU QD1 3.35 (#peak 2070)
&rst
ixpk= 2070, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 420, 421,
igr2= 425, 426, 427,
&end
#
# 29 LEU QB 60 PHE QE 4.24 (#peak 3525)
&rst
ixpk= 3525, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 420, 421,
igr2= 917, 921,
&end
#
# 29 LEU QB 60 PHE HZ 4.57 (#peak 3524)
&rst
ixpk= 3524, nxpk= 0, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 420, 421,
&end
#
# 29 LEU QB 82 PHE QE 5.34 (#peak 153)
&rst
ixpk= 153, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 420, 421,
igr2=1290,1294,
&end
#
# 30 GLN HN 30 GLN QG 3.44 (#peak 602)
&rst
ixpk= 602, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 442, 443,
&end
#
# 30 GLN HA 30 GLN QG 3.37 (#peak 611)
&rst
ixpk= 611, nxpk= 0, iat= 437, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 442, 443,
&end
#
# 30 GLN HA 33 ASP QB 4.05 (#peak 3029)
&rst
ixpk= 3029, nxpk= 0, iat= 437, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 493, 494,
&end
#
# 30 GLN QB 30 GLN QE2 4.53 (#peak 3339)
&rst
ixpk= 3339, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 439, 440,
igr2= 447, 448,
&end
#
# 30 GLN QG 30 GLN QE2 3.17 (#peak 603)
&rst
ixpk= 603, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr1= 442, 443,
igr2= 447, 448,
&end
#
# 30 GLN QG 60 PHE QD 4.63 (#peak 610)
&rst
ixpk= 610, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 442, 443,
igr2= 915, 923,
&end
#
# 30 GLN QG 60 PHE QE 4.82 (#peak 610)
&rst
ixpk= 610, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 442, 443,
igr2= 917, 921,
&end
#
# 30 GLN QE2 39 SER HA 4.72 (#peak 1058)
&rst
ixpk= 1058, nxpk= 0, iat= -1, 577, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 447, 448,
&end
#
# 30 GLN QE2 39 SER HB3 4.36 (#peak 3541)
&rst
ixpk= 3541, nxpk= 0, iat= -1, 580, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 447, 448,
&end
#
# 30 GLN QE2 60 PHE QB 4.72 (#peak 1057)
&rst
ixpk= 1057, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 447, 448,
igr2= 911, 912,
&end
#
# 31 GLU HN 31 GLU QB 3.10 (#peak 200)
&rst
ixpk= 200, nxpk= 0, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 456, 457,
&end
#
# 31 GLU HA 31 GLU QG 3.21 (#peak 3032)
&rst
ixpk= 3032, nxpk= 0, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 459, 460,
&end
#
# 32 LYS HN 32 LYS QB 3.41 (#peak 445)
&rst
ixpk= 445, nxpk= 0, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 471, 472,
&end
#
# 32 LYS HN 32 LYS QG 3.09 (#peak 446)
&rst
ixpk= 446, nxpk= 0, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr2= 474, 475,
&end
#
# 32 LYS HN 32 LYS QE 4.02 (#peak 229)
&rst
ixpk= 229, nxpk= 0, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2= 480, 481,
&end
#
# 32 LYS HA 32 LYS QG 3.72 (#peak 2212)
&rst
ixpk= 2212, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 474, 475,
&end
#
# 32 LYS HA 32 LYS QE 4.30 (#peak 187)
&rst
ixpk= 187, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 480, 481,
&end
#
# 32 LYS QB 33 ASP HN 4.26 (#peak 79)
&rst
ixpk= 79, nxpk= 0, iat= -1, 489, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 471, 472,
&end
#
# 32 LYS QB 106 LEU QD2 3.82 (#peak 2024)
&rst
ixpk= 2024, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 471, 472,
igr2=1695,1696,1697,
&end
#
# 32 LYS QB 110 GLY HN 4.72 (#peak 792)
&rst
ixpk= 792, nxpk= 0, iat= -1,1757, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 471, 472,
&end
#
# 32 LYS QB 110 GLY HA3 5.02 (#peak 3289)
&rst
ixpk= 3289, nxpk= 0, iat= -1,1760, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 471, 472,
&end
#
# 32 LYS QG 32 LYS QE 2.93 (#peak 185)
&rst
ixpk= 185, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr1= 474, 475,
igr2= 480, 481,
&end
#
# 32 LYS QG 33 ASP HN 4.68 (#peak 79)
&rst
ixpk= 79, nxpk= 0, iat= -1, 489, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 474, 475,
&end
#
# 32 LYS QG 109 GLN QB 4.67 (#peak 1082)
&rst
ixpk= 1082, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 474, 475,
igr2=1744,1745,
&end
#
# 32 LYS QG 110 GLY HA3 4.22 (#peak 2021)
&rst
ixpk= 2021, nxpk= 0, iat= -1,1760, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 474, 475,
&end
#
# 32 LYS QG 113 VAL QG2 3.70 (#peak 2173)
&rst
ixpk= 2173, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 474, 475,
igr2=1791,1792,1793,
&end
#
# 32 LYS QD 109 GLN QB 4.15 (#peak 1116)
&rst
ixpk= 1116, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 477, 478,
igr2=1744,1745,
&end
#
# 32 LYS QD 109 GLN QE2 5.34 (#peak 3533)
&rst
ixpk= 3533, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 477, 478,
igr2=1752,1753,
&end
#
# 32 LYS QE 113 VAL QG1 5.34 (#peak 192)
&rst
ixpk= 192, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 480, 481,
igr2=1787,1788,1789,
&end
#
# 33 ASP QB 60 PHE QE 3.86 (#peak 2870)
&rst
ixpk= 2870, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 493, 494,
igr2= 917, 921,
&end
#
# 33 ASP QB 60 PHE HZ 4.31 (#peak 2871)
&rst
ixpk= 2871, nxpk= 0, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 493, 494,
&end
#
# 33 ASP QB 106 LEU QD1 4.46 (#peak 2635)
&rst
ixpk= 2635, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 493, 494,
igr2=1691,1692,1693,
&end
#
# 33 ASP QB 106 LEU QD2 3.62 (#peak 2023)
&rst
ixpk= 2023, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 493, 494,
igr2=1695,1696,1697,
&end
#
# 35 GLY HN 37 ILE QG1 4.61 (#peak 957)
&rst
ixpk= 957, nxpk= 0, iat= 515, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2= 546, 547,
&end
#
# 35 GLY HA3 37 ILE QG1 4.55 (#peak 3359)
&rst
ixpk= 3359, nxpk= 0, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 546, 547,
&end
#
# 35 GLY HA3 37 ILE QG1 4.73 (#peak 3537)
&rst
ixpk= 3537, nxpk= 0, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 546, 547,
&end
#
# 36 ASN HB2 36 ASN QD2 3.39 (#peak 441)
&rst
ixpk= 441, nxpk= 0, iat= 526, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 531, 532,
&end
#
# 36 ASN HB3 36 ASN QD2 3.59 (#peak 499)
&rst
ixpk= 499, nxpk= 0, iat= 527, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 531, 532,
&end
#
# 37 ILE HA 37 ILE QG1 3.28 (#peak 1063)
&rst
ixpk= 1063, nxpk= 0, iat= 538, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2= 546, 547,
&end
#
# 37 ILE QG2 99 PHE QB 4.12 (#peak 2726)
&rst
ixpk= 2726, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 542, 543, 544,
igr2=1561,1562,
&end
#
# 37 ILE QG1 99 PHE QE 4.67 (#peak 2857)
&rst
ixpk= 2857, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 546, 547,
igr2=1567,1571,
&end
#
# 37 ILE QG1 102 ALA QB 3.73 (#peak 2320)
&rst
ixpk= 2320, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 546, 547,
igr2=1626,1627,1628,
&end
#
# 37 ILE QD1 99 PHE QB 4.48 (#peak 2466)
&rst
ixpk= 2466, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 549, 550, 551,
igr2=1561,1562,
&end
#
# 38 PHE QB 39 SER HN 3.80 (#peak 713)
&rst
ixpk= 713, nxpk= 0, iat= -1, 575, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 559, 560,
&end
#
# 38 PHE QB 60 PHE QD 4.90 (#peak 3137)
&rst
ixpk= 3137, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 559, 560,
igr2= 915, 923,
&end
#
# 38 PHE QB 85 ILE QG2 3.74 (#peak 2743)
&rst
ixpk= 2743, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 559, 560,
igr2=1339,1340,1341,
&end
#
# 38 PHE QB 85 ILE QD1 4.75 (#peak 2448)
&rst
ixpk= 2448, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 559, 560,
igr2=1346,1347,1348,
&end
#
# 38 PHE QB 106 LEU QD1 4.46 (#peak 2634)
&rst
ixpk= 2634, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 559, 560,
igr2=1691,1692,1693,
&end
#
# 40 GLU HA 41 PRO QG 4.51 (#peak 1470)
&rst
ixpk= 1470, nxpk= 0, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 605, 606,
&end
#
# 41 PRO QG 61 PHE QD 4.82 (#peak 3143)
&rst
ixpk= 3143, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 605, 606,
igr2= 935, 943,
&end
#
# 43 PRO HB2 45 SER QB 4.56 (#peak 1176)
&rst
ixpk= 1176, nxpk= 0, iat= 638, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 668, 669,
&end
#
# 46 GLU QB 47 VAL QG2 3.98 (#peak 2671)
&rst
ixpk= 2671, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 679, 680,
igr2= 700, 701, 702,
&end
#
# 47 VAL HN 48 PRO QD 3.70 (#peak 617)
&rst
ixpk= 617, nxpk= 0, iat= 690, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 707, 708,
&end
#
# 47 VAL QG1 48 PRO QD 4.12 (#peak 3077)
&rst
ixpk= 3077, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 696, 697, 698,
igr2= 707, 708,
&end
#
# 47 VAL QG2 48 PRO QD 4.40 (#peak 3087)
&rst
ixpk= 3087, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 700, 701, 702,
igr2= 707, 708,
&end
#
# 48 PRO QD 49 ASP HN 3.84 (#peak 690)
&rst
ixpk= 690, nxpk= 0, iat= -1, 720, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 707, 708,
&end
#
# 49 ASP HN 49 ASP QB 3.62 (#peak 692)
&rst
ixpk= 692, nxpk= 0, iat= 720, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 724, 725,
&end
#
# 49 ASP HA 52 ASP QB 3.90 (#peak 3091)
&rst
ixpk= 3091, nxpk= 0, iat= 722, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 776, 777,
&end
#
# 49 ASP QB 52 ASP QB 4.12 (#peak 3410)
&rst
ixpk= 3410, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 724, 725,
igr2= 776, 777,
&end
#
# 49 ASP QB 53 HID HD2 4.11 (#peak 2684)
&rst
ixpk= 2684, nxpk= 0, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 724, 725,
&end
#
# 50 TYR QE 54 ILE QG1 4.66 (#peak 3454)
&rst
ixpk= 3454, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 742, 747,
igr2= 811, 812,
&end
#
# 50 TYR QE 57 PRO QB 3.91 (#peak 2830)
&rst
ixpk= 2830, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 742, 747,
igr2= 871, 872,
&end
#
# 50 TYR QE 57 PRO QG 4.11 (#peak 3126)
&rst
ixpk= 3126, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 742, 747,
igr2= 868, 869,
&end
#
# 50 TYR QE 92 TYR QB 5.23 (#peak 2838)
&rst
ixpk= 2838, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 742, 747,
igr2=1449,1450,
&end
#
# 51 LEU HN 51 LEU QB 3.64 (#peak 726)
&rst
ixpk= 726, nxpk= 0, iat= 753, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2= 757, 758,
&end
#
# 51 LEU QB 51 LEU QD1 3.25 (#peak 1687)
&rst
ixpk= 1687, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 757, 758,
igr2= 762, 763, 764,
&end
#
# 51 LEU QB 51 LEU QD2 3.15 (#peak 2216)
&rst
ixpk= 2216, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 757, 758,
igr2= 766, 767, 768,
&end
#
# 51 LEU QB 52 ASP HN 3.48 (#peak 280)
&rst
ixpk= 280, nxpk= 0, iat= -1, 772, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 757, 758,
&end
#
# 51 LEU QD1 57 PRO QG 4.16 (#peak 1344)
&rst
ixpk= 1344, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 762, 763, 764,
igr2= 868, 869,
&end
#
# 51 LEU QD2 57 PRO QG 3.16 (#peak 2214)
&rst
ixpk= 2214, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1= 766, 767, 768,
igr2= 868, 869,
&end
#
# 51 LEU QD2 57 PRO QD 3.62 (#peak 2207)
&rst
ixpk= 2207, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 766, 767, 768,
igr2= 865, 866,
&end
#
# 52 ASP HN 52 ASP QB 3.42 (#peak 285)
&rst
ixpk= 285, nxpk= 0, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 776, 777,
&end
#
# 52 ASP QB 53 HID HN 4.05 (#peak 863)
&rst
ixpk= 863, nxpk= 0, iat= -1, 784, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 776, 777,
&end
#
# 52 ASP QB 53 HID HD2 4.04 (#peak 383)
&rst
ixpk= 383, nxpk= 0, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 776, 777,
&end
#
# 53 HID QB 54 ILE HN 4.13 (#peak 550)
&rst
ixpk= 550, nxpk= 0, iat= -1, 801, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 788, 789,
&end
#
# 53 HID QB 54 ILE QD1 4.47 (#peak 3556)
&rst
ixpk= 3556, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 788, 789,
igr2= 814, 815, 816,
&end
#
# 54 ILE HN 54 ILE QG1 4.07 (#peak 549)
&rst
ixpk= 549, nxpk= 0, iat= 801, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2= 811, 812,
&end
#
# 54 ILE HA 55 LYS QG 5.27 (#peak 3413)
&rst
ixpk= 3413, nxpk= 0, iat= 803, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 827, 828,
&end
#
# 54 ILE QG2 54 ILE QG1 3.34 (#peak 2434)
&rst
ixpk= 2434, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 807, 808, 809,
igr2= 811, 812,
&end
#
# 54 ILE QG2 56 LYS QB 4.58 (#peak 2431)
&rst
ixpk= 2431, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 807, 808, 809,
igr2= 846, 847,
&end
#
# 54 ILE QG2 57 PRO QB 4.05 (#peak 2429)
&rst
ixpk= 2429, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 807, 808, 809,
igr2= 871, 872,
&end
#
# 54 ILE QG2 57 PRO QD 4.34 (#peak 2426)
&rst
ixpk= 2426, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 807, 808, 809,
igr2= 865, 866,
&end
#
# 54 ILE QG2 88 ASN QD2 3.48 (#peak 2422)
&rst
ixpk= 2422, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 807, 808, 809,
igr2=1388,1389,
&end
#
# 54 ILE QG1 57 PRO HA 5.34 (#peak 3353)
&rst
ixpk= 3353, nxpk= 0, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 811, 812,
&end
#
# 54 ILE QG1 92 TYR QB 4.48 (#peak 3352)
&rst
ixpk= 3352, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 811, 812,
igr2=1449,1450,
&end
#
# 54 ILE QG1 92 TYR QD 3.99 (#peak 1618)
&rst
ixpk= 1618, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 811, 812,
igr2=1453,1462,
&end
#
# 54 ILE QD1 88 ASN QB 3.76 (#peak 3117)
&rst
ixpk= 3117, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 814, 815, 816,
igr2=1383,1384,
&end
#
# 54 ILE QD1 91 LYS QG 3.84 (#peak 2794)
&rst
ixpk= 2794, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 814, 815, 816,
igr2=1430,1431,
&end
#
# 54 ILE QD1 92 TYR QB 3.27 (#peak 113)
&rst
ixpk= 113, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 814, 815, 816,
igr2=1449,1450,
&end
#
# 55 LYS HN 55 LYS QG 3.65 (#peak 1900)
&rst
ixpk= 1900, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 827, 828,
&end
#
# 55 LYS QG 55 LYS QE 3.14 (#peak 149)
&rst
ixpk= 149, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 827, 828,
igr2= 833, 834,
&end
#
# 55 LYS QG 56 LYS HN 4.66 (#peak 1899)
&rst
ixpk= 1899, nxpk= 0, iat= -1, 842, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 827, 828,
&end
#
# 56 LYS HN 56 LYS QB 3.41 (#peak 587)
&rst
ixpk= 587, nxpk= 0, iat= 842, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 846, 847,
&end
#
# 56 LYS HN 56 LYS QG 4.18 (#peak 590)
&rst
ixpk= 590, nxpk= 0, iat= 842, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2= 849, 850,
&end
#
# 56 LYS HA 56 LYS QG 3.56 (#peak 1799)
&rst
ixpk= 1799, nxpk= 0, iat= 844, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 849, 850,
&end
#
# 56 LYS HA 57 PRO QG 4.31 (#peak 3130)
&rst
ixpk= 3130, nxpk= 0, iat= 844, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 868, 869,
&end
#
# 56 LYS HA 57 PRO QD 3.08 (#peak 2282)
&rst
ixpk= 2282, nxpk= 0, iat= 844, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2= 865, 866,
&end
#
# 56 LYS QB 56 LYS QD 3.21 (#peak 1095)
&rst
ixpk= 1095, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 846, 847,
igr2= 852, 853,
&end
#
# 56 LYS QB 56 LYS QE 4.26 (#peak 3592)
&rst
ixpk= 3592, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 846, 847,
igr2= 855, 856,
&end
#
# 56 LYS QB 84 LEU QD1 3.42 (#peak 3212)
&rst
ixpk= 3212, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 846, 847,
igr2=1323,1324,1325,
&end
#
# 56 LYS QB 84 LEU QD2 3.25 (#peak 1938)
&rst
ixpk= 1938, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 846, 847,
igr2=1327,1328,1329,
&end
#
# 56 LYS QG 56 LYS QE 2.95 (#peak 190)
&rst
ixpk= 190, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1= 849, 850,
igr2= 855, 856,
&end
#
# 56 LYS QD 84 LEU QD1 3.62 (#peak 1097)
&rst
ixpk= 1097, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 852, 853,
igr2=1323,1324,1325,
&end
#
# 56 LYS QD 84 LEU QD2 4.01 (#peak 1092)
&rst
ixpk= 1092, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 852, 853,
igr2=1327,1328,1329,
&end
#
# 56 LYS QE 84 LEU QD1 3.99 (#peak 198)
&rst
ixpk= 198, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 855, 856,
igr2=1323,1324,1325,
&end
#
# 56 LYS QE 84 LEU QD2 3.99 (#peak 199)
&rst
ixpk= 199, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 855, 856,
igr2=1327,1328,1329,
&end
#
# 57 PRO HA 88 ASN QD2 3.64 (#peak 1034)
&rst
ixpk= 1034, nxpk= 0, iat= 874, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2=1388,1389,
&end
#
# 58 MET HN 88 ASN QD2 4.04 (#peak 871)
&rst
ixpk= 871, nxpk= 0, iat= 878, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1388,1389,
&end
#
# 58 MET QB 62 THR HB 4.92 (#peak 3458)
&rst
ixpk= 3458, nxpk= 0, iat= -1, 951, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 882, 883,
&end
#
# 58 MET QB 85 ILE QG1 4.69 (#peak 3561)
&rst
ixpk= 3561, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 882, 883,
igr2=1343,1344,
&end
#
# 58 MET QB 88 ASN QD2 4.54 (#peak 735)
&rst
ixpk= 735, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 882, 883,
igr2=1388,1389,
&end
#
# 58 MET QG 59 ASP HN 4.19 (#peak 340)
&rst
ixpk= 340, nxpk= 0, iat= -1, 895, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 885, 886,
&end
#
# 58 MET QG 85 ILE QD1 3.84 (#peak 2446)
&rst
ixpk= 2446, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 885, 886,
igr2=1346,1347,1348,
&end
#
# 58 MET QE 66 ASN QD2 3.13 (#peak 10)
&rst
ixpk= 10, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 889, 890, 891,
igr2=1026,1027,
&end
#
# 59 ASP HA 85 ILE QG1 4.53 (#peak 3132)
&rst
ixpk= 3132, nxpk= 0, iat= 897, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1343,1344,
&end
#
# 59 ASP QB 60 PHE HN 3.70 (#peak 87)
&rst
ixpk= 87, nxpk= 0, iat= -1, 907, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 899, 900,
&end
#
# 59 ASP QB 61 PHE HN 4.30 (#peak 880)
&rst
ixpk= 880, nxpk= 0, iat= -1, 927, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 899, 900,
&end
#
# 60 PHE HA 63 MET QG 4.02 (#peak 1165)
&rst
ixpk= 1165, nxpk= 0, iat= 909, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2= 968, 969,
&end
#
# 61 PHE HN 61 PHE QB 3.25 (#peak 878)
&rst
ixpk= 878, nxpk= 0, iat= 927, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2= 931, 932,
&end
#
# 61 PHE HA 64 LYS QB 3.71 (#peak 1174)
&rst
ixpk= 1174, nxpk= 0, iat= 929, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 982, 983,
&end
#
# 61 PHE QB 62 THR HN 3.95 (#peak 530)
&rst
ixpk= 530, nxpk= 0, iat= -1, 947, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 931, 932,
&end
#
# 61 PHE QD 65 GLN QG 3.99 (#peak 676)
&rst
ixpk= 676, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 935, 943,
igr2=1007,1008,
&end
#
# 61 PHE QE 65 GLN QG 4.30 (#peak 676)
&rst
ixpk= 676, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 937, 941,
igr2=1007,1008,
&end
#
# 61 PHE QE 65 GLN QE2 4.82 (#peak 817)
&rst
ixpk= 817, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 937, 941,
igr2=1012,1013,
&end
#
# 61 PHE HZ 65 GLN QG 4.47 (#peak 3144)
&rst
ixpk= 3144, nxpk= 0, iat= 939, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1007,1008,
&end
#
# 61 PHE HZ 65 GLN QE2 5.18 (#peak 817)
&rst
ixpk= 817, nxpk= 0, iat= 939, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=1012,1013,
&end
#
# 62 THR HA 65 GLN QB 3.78 (#peak 639)
&rst
ixpk= 639, nxpk= 0, iat= 949, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1004,1005,
&end
#
# 62 THR QG2 66 ASN QD2 3.16 (#peak 2113)
&rst
ixpk= 2113, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1= 953, 954, 955,
igr2=1026,1027,
&end
#
# 63 MET HN 63 MET QB 3.56 (#peak 168)
&rst
ixpk= 168, nxpk= 0, iat= 961, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 965, 966,
&end
#
# 63 MET HA 66 ASN QD2 4.33 (#peak 1336)
&rst
ixpk= 1336, nxpk= 0, iat= 963, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1026,1027,
&end
#
# 63 MET QB 63 MET QE 2.98 (#peak 2444)
&rst
ixpk= 2444, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 965, 966,
igr2= 972, 973, 974,
&end
#
# 63 MET QB 85 ILE QD1 4.70 (#peak 2448)
&rst
ixpk= 2448, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 965, 966,
igr2=1346,1347,1348,
&end
#
# 63 MET QG 63 MET QE 3.06 (#peak 3152)
&rst
ixpk= 3152, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 968, 969,
igr2= 972, 973, 974,
&end
#
# 63 MET QG 64 LYS HN 4.78 (#peak 973)
&rst
ixpk= 973, nxpk= 0, iat= -1, 978, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 968, 969,
&end
#
# 63 MET QE 81 ASP QB 4.14 (#peak 441)
&rst
ixpk= 441, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 972, 973, 974,
igr2=1272,1273,
&end
#
# 64 LYS HN 64 LYS QD 4.39 (#peak 1183)
&rst
ixpk= 1183, nxpk= 0, iat= 978, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2= 988, 989,
&end
#
# 64 LYS HN 65 GLN QG 5.34 (#peak 972)
&rst
ixpk= 972, nxpk= 0, iat= 978, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1007,1008,
&end
#
# 64 LYS HA 64 LYS QD 3.58 (#peak 1570)
&rst
ixpk= 1570, nxpk= 0, iat= 980, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 988, 989,
&end
#
# 64 LYS HA 67 LEU QB 3.74 (#peak 1567)
&rst
ixpk= 1567, nxpk= 0, iat= 980, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1035,1036,
&end
#
# 64 LYS QB 64 LYS QE 4.70 (#peak 177)
&rst
ixpk= 177, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 982, 983,
igr2= 991, 992,
&end
#
# 64 LYS QB 65 GLN HN 3.73 (#peak 847)
&rst
ixpk= 847, nxpk= 0, iat= -1,1000, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 982, 983,
&end
#
# 64 LYS QG 64 LYS QE 3.19 (#peak 168)
&rst
ixpk= 168, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 985, 986,
igr2= 991, 992,
&end
#
# 64 LYS QG 68 GLU QG 3.78 (#peak 1844)
&rst
ixpk= 1844, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 985, 986,
igr2=1057,1058,
&end
#
# 64 LYS QD 67 LEU QD2 4.27 (#peak 1159)
&rst
ixpk= 1159, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 988, 989,
igr2=1044,1045,1046,
&end
#
# 64 LYS QD 68 GLU QG 3.82 (#peak 1155)
&rst
ixpk= 1155, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr1= 988, 989,
igr2=1057,1058,
&end
#
# 64 LYS QE 68 GLU QG 3.88 (#peak 165)
&rst
ixpk= 165, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 991, 992,
igr2=1057,1058,
&end
#
# 65 GLN HN 65 GLN QB 3.39 (#peak 974)
&rst
ixpk= 974, nxpk= 0, iat=1000, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2=1004,1005,
&end
#
# 65 GLN HA 65 GLN QG 3.22 (#peak 687)
&rst
ixpk= 687, nxpk= 0, iat=1002, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2=1007,1008,
&end
#
# 65 GLN HA 68 GLU QB 4.39 (#peak 1361)
&rst
ixpk= 1361, nxpk= 0, iat=1002, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2=1054,1055,
&end
#
# 65 GLN QB 65 GLN QE2 3.72 (#peak 423)
&rst
ixpk= 423, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1=1004,1005,
igr2=1012,1013,
&end
#
# 65 GLN QG 65 GLN QE2 3.20 (#peak 686)
&rst
ixpk= 686, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1=1007,1008,
igr2=1012,1013,
&end
#
# 65 GLN QG 66 ASN HN 4.13 (#peak 683)
&rst
ixpk= 683, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=1007,1008,
&end
#
# 66 ASN HN 66 ASN QD2 4.55 (#peak 976)
&rst
ixpk= 976, nxpk= 0, iat=1017, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2=1026,1027,
&end
#
# 66 ASN HA 71 ARG QB 4.21 (#peak 2107)
&rst
ixpk= 2107, nxpk= 0, iat=1019, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1100,1101,
&end
#
# 66 ASN HA 71 ARG QD 3.82 (#peak 2104)
&rst
ixpk= 2104, nxpk= 0, iat=1019, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=1106,1107,
&end
#
# 66 ASN HB2 71 ARG QB 4.48 (#peak 2499)
&rst
ixpk= 2499, nxpk= 0, iat=1021, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1100,1101,
&end
#
# 66 ASN HB2 71 ARG QG 5.34 (#peak 2498)
&rst
ixpk= 2498, nxpk= 0, iat=1021, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1103,1104,
&end
#
# 66 ASN HB3 71 ARG QB 4.02 (#peak 997)
&rst
ixpk= 997, nxpk= 0, iat=1022, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2=1100,1101,
&end
#
# 67 LEU HN 67 LEU QB 3.43 (#peak 133)
&rst
ixpk= 133, nxpk= 0, iat=1031, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2=1035,1036,
&end
#
# 67 LEU HN 71 ARG QB 5.14 (#peak 980)
&rst
ixpk= 980, nxpk= 0, iat=1031, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2=1100,1101,
&end
#
# 67 LEU HA 71 ARG QB 4.50 (#peak 1790)
&rst
ixpk= 1790, nxpk= 0, iat=1033, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1100,1101,
&end
#
# 67 LEU QB 67 LEU QD1 2.92 (#peak 1386)
&rst
ixpk= 1386, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1=1035,1036,
igr2=1040,1041,1042,
&end
#
# 67 LEU QB 68 GLU HN 3.79 (#peak 388)
&rst
ixpk= 388, nxpk= 0, iat= -1,1050, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1=1035,1036,
&end
#
# 67 LEU QB 68 GLU HA 5.34 (#peak 3022)
&rst
ixpk= 3022, nxpk= 0, iat= -1,1052, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1035,1036,
&end
#
# 67 LEU QB 72 TYR QD 4.19 (#peak 154)
&rst
ixpk= 154, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1035,1036,
igr2=1128,1137,
&end
#
# 67 LEU QB 72 TYR QE 4.56 (#peak 153)
&rst
ixpk= 153, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1035,1036,
igr2=1130,1135,
&end
#
# 67 LEU QD1 72 TYR QB 3.89 (#peak 1384)
&rst
ixpk= 1384, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1040,1041,1042,
igr2=1124,1125,
&end
#
# 67 LEU QD2 68 GLU QG 4.30 (#peak 3571)
&rst
ixpk= 3571, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1044,1045,1046,
igr2=1057,1058,
&end
#
# 68 GLU HN 68 GLU QB 3.54 (#peak 1301)
&rst
ixpk= 1301, nxpk= 0, iat=1050, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2=1054,1055,
&end
#
# 68 GLU HN 68 GLU QG 3.52 (#peak 386)
&rst
ixpk= 386, nxpk= 0, iat=1050, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=1057,1058,
&end
#
# 68 GLU QB 69 ALA HN 3.86 (#peak 215)
&rst
ixpk= 215, nxpk= 0, iat= -1,1065, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1054,1055,
&end
#
# 68 GLU QG 69 ALA HN 4.66 (#peak 890)
&rst
ixpk= 890, nxpk= 0, iat= -1,1065, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=1057,1058,
&end
#
# 69 ALA QB 71 ARG QD 3.47 (#peak 174)
&rst
ixpk= 174, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=1069,1070,1071,
igr2=1106,1107,
&end
#
# 70 TYR HN 70 TYR QB 3.62 (#peak 717)
&rst
ixpk= 717, nxpk= 0, iat=1075, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=1079,1080,
&end
#
# 70 TYR HN 71 ARG QG 5.34 (#peak 990)
&rst
ixpk= 990, nxpk= 0, iat=1075, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1103,1104,
&end
#
# 70 TYR QB 73 LEU QD2 3.70 (#peak 2060)
&rst
ixpk= 2060, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1=1079,1080,
igr2=1154,1155,1156,
&end
#
# 71 ARG HN 71 ARG QB 3.35 (#peak 440)
&rst
ixpk= 440, nxpk= 0, iat=1096, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2=1100,1101,
&end
#
# 71 ARG HN 71 ARG QG 4.22 (#peak 439)
&rst
ixpk= 439, nxpk= 0, iat=1096, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1103,1104,
&end
#
# 71 ARG HN 71 ARG QD 4.33 (#peak 3315)
&rst
ixpk= 3315, nxpk= 0, iat=1096, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1106,1107,
&end
#
# 71 ARG HA 71 ARG QG 3.38 (#peak 1984)
&rst
ixpk= 1984, nxpk= 0, iat=1098, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=1103,1104,
&end
#
# 71 ARG HA 71 ARG QD 3.43 (#peak 141)
&rst
ixpk= 141, nxpk= 0, iat=1098, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2=1106,1107,
&end
#
# 71 ARG QB 71 ARG QD 3.02 (#peak 143)
&rst
ixpk= 143, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
igr1=1100,1101,
igr2=1106,1107,
&end
#
# 71 ARG QB 72 TYR HN 3.66 (#peak 247)
&rst
ixpk= 247, nxpk= 0, iat= -1,1120, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1=1100,1101,
&end
#
# 72 TYR HA 77 ASP QB 4.76 (#peak 3575)
&rst
ixpk= 3575, nxpk= 0, iat=1122, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1210,1211,
&end
#
# 72 TYR QB 73 LEU HN 4.03 (#peak 492)
&rst
ixpk= 492, nxpk= 0, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1=1124,1125,
&end
#
# 72 TYR QB 74 ASN HN 4.20 (#peak 458)
&rst
ixpk= 458, nxpk= 0, iat= -1,1160, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1124,1125,
&end
#
# 72 TYR HH 81 ASP QB 4.23 (#peak 3202)
&rst
ixpk= 3202, nxpk= 0, iat=1133, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2=1272,1273,
&end
#
# 73 LEU HN 73 LEU QB 3.51 (#peak 7)
&rst
ixpk= 7, nxpk= 0, iat=1141, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=1145,1146,
&end
#
# 73 LEU HN 77 ASP QB 5.03 (#peak 493)
&rst
ixpk= 493, nxpk= 0, iat=1141, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr2=1210,1211,
&end
#
# 73 LEU QB 73 LEU QD1 2.85 (#peak 1817)
&rst
ixpk= 1817, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1=1145,1146,
igr2=1150,1151,1152,
&end
#
# 73 LEU QB 74 ASN HN 3.53 (#peak 460)
&rst
ixpk= 460, nxpk= 0, iat= -1,1160, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1145,1146,
&end
#
# 74 ASN HN 74 ASN QB 3.47 (#peak 459)
&rst
ixpk= 459, nxpk= 0, iat=1160, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=1164,1165,
&end
#
# 74 ASN HN 77 ASP QB 3.91 (#peak 457)
&rst
ixpk= 457, nxpk= 0, iat=1160, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2=1210,1211,
&end
#
# 74 ASN QB 74 ASN QD2 3.22 (#peak 299)
&rst
ixpk= 299, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1=1164,1165,
igr2=1169,1170,
&end
#
# 74 ASN QB 75 PHE HN 3.61 (#peak 290)
&rst
ixpk= 290, nxpk= 0, iat= -1,1174, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1=1164,1165,
&end
#
# 74 ASN QB 76 ASP HN 3.74 (#peak 268)
&rst
ixpk= 268, nxpk= 0, iat= -1,1194, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1164,1165,
&end
#
# 74 ASN QB 77 ASP HN 4.00 (#peak 177)
&rst
ixpk= 177, nxpk= 0, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1164,1165,
&end
#
# 75 PHE HA 78 PHE QB 3.71 (#peak 1075)
&rst
ixpk= 1075, nxpk= 0, iat=1176, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=1222,1223,
&end
#
# 75 PHE QE 118 ARG QB 4.46 (#peak 1012)
&rst
ixpk= 1012, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1=1184,1188,
igr2=1871,1872,
&end
#
# 76 ASP HN 76 ASP QB 3.34 (#peak 269)
&rst
ixpk= 269, nxpk= 0, iat=1194, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2=1198,1199,
&end
#
# 76 ASP QB 77 ASP HN 3.57 (#peak 988)
&rst
ixpk= 988, nxpk= 0, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1=1198,1199,
&end
#
# 77 ASP HN 77 ASP QB 3.62 (#peak 176)
&rst
ixpk= 176, nxpk= 0, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=1210,1211,
&end
#
# 77 ASP HA 80 GLU QB 3.03 (#peak 1957)
&rst
ixpk= 1957, nxpk= 0, iat=1208, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr2=1257,1258,
&end
#
# 77 ASP QB 78 PHE HN 3.61 (#peak 114)
&rst
ixpk= 114, nxpk= 0, iat= -1,1218, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1=1210,1211,
&end
#
# 78 PHE QB 79 GLU HN 3.96 (#peak 411)
&rst
ixpk= 411, nxpk= 0, iat= -1,1238, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1222,1223,
&end
#
# 80 GLU HN 80 GLU QB 3.23 (#peak 1148)
&rst
ixpk= 1148, nxpk= 0, iat=1253, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2=1257,1258,
&end
#
# 80 GLU QB 81 ASP HN 3.53 (#peak 1151)
&rst
ixpk= 1151, nxpk= 0, iat= -1,1268, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1257,1258,
&end
#
# 82 PHE HA 84 LEU QB 5.34 (#peak 3206)
&rst
ixpk= 3206, nxpk= 0, iat=1282, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1318,1319,
&end
#
# 82 PHE QE 111 GLY QA 5.34 (#peak 2584)
&rst
ixpk= 2584, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1290,1294,
igr2=1766,1767,
&end
#
# 84 LEU QB 84 LEU QD2 3.34 (#peak 1938)
&rst
ixpk= 1938, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1=1318,1319,
igr2=1327,1328,1329,
&end
#
# 84 LEU QB 85 ILE HN 3.96 (#peak 235)
&rst
ixpk= 235, nxpk= 0, iat= -1,1333, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1318,1319,
&end
#
# 84 LEU HG 88 ASN QD2 4.70 (#peak 3277)
&rst
ixpk= 3277, nxpk= 0, iat=1321, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1388,1389,
&end
#
# 84 LEU QD1 88 ASN QD2 4.31 (#peak 1869)
&rst
ixpk= 1869, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1323,1324,1325,
igr2=1388,1389,
&end
#
# 84 LEU QD2 88 ASN QD2 3.81 (#peak 1928)
&rst
ixpk= 1928, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1327,1328,1329,
igr2=1388,1389,
&end
#
# 85 ILE HN 85 ILE QG1 4.23 (#peak 236)
&rst
ixpk= 236, nxpk= 0, iat=1333, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2=1343,1344,
&end
#
# 86 VAL HA 89 CYS QB 4.83 (#peak 3342)
&rst
ixpk= 3342, nxpk= 0, iat=1354, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1397,1398,
&end
#
# 86 VAL QG1 87 SER QB 5.34 (#peak 3220)
&rst
ixpk= 3220, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1=1358,1359,1360,
igr2=1372,1373,
&end
#
# 86 VAL QG1 107 ARG QD 3.43 (#peak 2226)
&rst
ixpk= 2226, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1358,1359,1360,
igr2=1711,1712,
&end
#
# 87 SER HN 87 SER QB 3.36 (#peak 1196)
&rst
ixpk= 1196, nxpk= 0, iat=1368, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1372,1373,
&end
#
# 87 SER HA 90 LEU QB 4.03 (#peak 1180)
&rst
ixpk= 1180, nxpk= 0, iat=1370, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=1408,1409,
&end
#
# 87 SER QB 88 ASN HN 3.90 (#peak 556)
&rst
ixpk= 556, nxpk= 0, iat= -1,1379, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1372,1373,
&end
#
# 87 SER QB 90 LEU QD1 4.28 (#peak 1197)
&rst
ixpk= 1197, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1372,1373,
igr2=1413,1414,1415,
&end
#
# 88 ASN HN 88 ASN QB 3.55 (#peak 557)
&rst
ixpk= 557, nxpk= 0, iat=1379, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=1383,1384,
&end
#
# 88 ASN HN 88 ASN QD2 4.19 (#peak 1020)
&rst
ixpk= 1020, nxpk= 0, iat=1379, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1388,1389,
&end
#
# 88 ASN QB 89 CYS HN 3.91 (#peak 596)
&rst
ixpk= 596, nxpk= 0, iat= -1,1393, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1=1383,1384,
&end
#
# 89 CYS HN 89 CYS QB 3.70 (#peak 600)
&rst
ixpk= 600, nxpk= 0, iat=1393, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2=1397,1398,
&end
#
# 89 CYS QB 90 LEU HN 4.12 (#peak 2932)
&rst
ixpk= 2932, nxpk= 0, iat= -1,1404, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1397,1398,
&end
#
# 89 CYS QB 90 LEU QD1 5.24 (#peak 3224)
&rst
ixpk= 3224, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1=1397,1398,
igr2=1413,1414,1415,
&end
#
# 89 CYS QB 90 LEU QD2 4.84 (#peak 3373)
&rst
ixpk= 3373, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1=1397,1398,
igr2=1417,1418,1419,
&end
#
# 89 CYS QB 91 LYS HN 5.34 (#peak 1031)
&rst
ixpk= 1031, nxpk= 0, iat= -1,1423, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1397,1398,
&end
#
# 89 CYS QB 103 ALA QB 3.49 (#peak 2328)
&rst
ixpk= 2328, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1=1397,1398,
igr2=1636,1637,1638,
&end
#
# 90 LEU QB 90 LEU QD1 3.05 (#peak 1578)
&rst
ixpk= 1578, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1=1408,1409,
igr2=1413,1414,1415,
&end
#
# 90 LEU QB 91 LYS HN 3.99 (#peak 659)
&rst
ixpk= 659, nxpk= 0, iat= -1,1423, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1=1408,1409,
&end
#
# 90 LEU QB 100 TYR QE 4.84 (#peak 3370)
&rst
ixpk= 3370, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1=1408,1409,
igr2=1587,1592,
&end
#
# 91 LYS HN 91 LYS QG 4.01 (#peak 660)
&rst
ixpk= 660, nxpk= 0, iat=1423, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=1430,1431,
&end
#
# 91 LYS HA 91 LYS QG 3.29 (#peak 1830)
&rst
ixpk= 1830, nxpk= 0, iat=1425, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2=1430,1431,
&end
#
# 91 LYS QB 92 TYR QB 4.55 (#peak 3225)
&rst
ixpk= 3225, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1=1427,1428,
igr2=1449,1450,
&end
#
# 91 LYS QG 92 TYR HN 4.49 (#peak 3376)
&rst
ixpk= 3376, nxpk= 0, iat= -1,1445, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1430,1431,
&end
#
# 92 TYR HN 93 ASN QB 4.57 (#peak 1033)
&rst
ixpk= 1033, nxpk= 0, iat=1445, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1470,1471,
&end
#
# 93 ASN HN 93 ASN QB 3.56 (#peak 719)
&rst
ixpk= 719, nxpk= 0, iat=1466, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1470,1471,
&end
#
# 93 ASN HN 93 ASN QD2 4.65 (#peak 989)
&rst
ixpk= 989, nxpk= 0, iat=1466, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1475,1476,
&end
#
# 93 ASN HA 93 ASN QD2 4.77 (#peak 1056)
&rst
ixpk= 1056, nxpk= 0, iat=1468, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2=1475,1476,
&end
#
# 93 ASN QB 94 ALA HN 4.12 (#peak 927)
&rst
ixpk= 927, nxpk= 0, iat= -1,1480, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1470,1471,
&end
#
# 93 ASN QB 94 ALA QB 4.64 (#peak 2937)
&rst
ixpk= 2937, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1=1470,1471,
igr2=1484,1485,1486,
&end
#
# 93 ASN QB 97 THR QG2 4.23 (#peak 2650)
&rst
ixpk= 2650, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1470,1471,
igr2=1530,1531,1532,
&end
#
# 93 ASN QD2 97 THR QG2 5.34 (#peak 3485)
&rst
ixpk= 3485, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1=1475,1476,
igr2=1530,1531,1532,
&end
#
# 94 ALA HA 95 LYS QB 4.53 (#peak 2312)
&rst
ixpk= 2312, nxpk= 0, iat=1482, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1494,1495,
&end
#
# 94 ALA HA 95 LYS QG 4.69 (#peak 3383)
&rst
ixpk= 3383, nxpk= 0, iat=1482, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1497,1498,
&end
#
# 94 ALA QB 95 LYS QG 4.13 (#peak 3382)
&rst
ixpk= 3382, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1484,1485,1486,
igr2=1497,1498,
&end
#
# 95 LYS HN 95 LYS QB 3.29 (#peak 162)
&rst
ixpk= 162, nxpk= 0, iat=1490, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2=1494,1495,
&end
#
# 95 LYS HN 95 LYS QG 3.52 (#peak 1810)
&rst
ixpk= 1810, nxpk= 0, iat=1490, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=1497,1498,
&end
#
# 95 LYS QB 95 LYS QD 3.06 (#peak 3241)
&rst
ixpk= 3241, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr1=1494,1495,
igr2=1500,1501,
&end
#
# 95 LYS QB 96 ASP HN 4.41 (#peak 3583)
&rst
ixpk= 3583, nxpk= 0, iat= -1,1512, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1494,1495,
&end
#
# 95 LYS QG 95 LYS QE 2.93 (#peak 228)
&rst
ixpk= 228, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr1=1497,1498,
igr2=1503,1504,
&end
#
# 97 THR HN 100 TYR QB 3.90 (#peak 812)
&rst
ixpk= 812, nxpk= 0, iat=1524, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1581,1582,
&end
#
# 97 THR QG2 100 TYR QB 4.30 (#peak 2651)
&rst
ixpk= 2651, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1530,1531,1532,
igr2=1581,1582,
&end
#
# 97 THR HG1 100 TYR QB 4.25 (#peak 368)
&rst
ixpk= 368, nxpk= 0, iat=1534, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1581,1582,
&end
#
# 101 ARG HN 101 ARG QG 4.41 (#peak 3599)
&rst
ixpk= 3599, nxpk= 0, iat=1598, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1605,1606,
&end
#
# 101 ARG HA 101 ARG QG 3.24 (#peak 1459)
&rst
ixpk= 1459, nxpk= 0, iat=1600, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2=1605,1606,
&end
#
# 101 ARG HA 101 ARG QD 4.03 (#peak 3430)
&rst
ixpk= 3430, nxpk= 0, iat=1600, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=1608,1609,
&end
#
# 101 ARG QB 101 ARG QD 3.11 (#peak 95)
&rst
ixpk= 95, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1=1602,1603,
igr2=1608,1609,
&end
#
# 101 ARG QG 104 VAL QG1 5.34 (#peak 1270)
&rst
ixpk= 1270, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1=1605,1606,
igr2=1648,1649,1650,
&end
#
# 101 ARG QG 104 VAL QG2 5.34 (#peak 1270)
&rst
ixpk= 1270, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1=1605,1606,
igr2=1652,1653,1654,
&end
#
# 104 VAL HA 107 ARG QG 5.34 (#peak 2890)
&rst
ixpk= 2890, nxpk= 0, iat=1644, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1708,1709,
&end
#
# 104 VAL QG1 107 ARG QH1 4.93 (#peak 2775)
&rst
ixpk= 2775, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1=1648,1649,1650,
igr2=1717,1718,
&end
#
# 105 ARG HA 105 ARG QG 3.32 (#peak 1605)
&rst
ixpk= 1605, nxpk= 0, iat=1660, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2=1665,1666,
&end
#
# 105 ARG HA 108 GLU QG 3.80 (#peak 563)
&rst
ixpk= 563, nxpk= 0, iat=1660, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1732,1733,
&end
#
# 105 ARG QG 106 LEU HN 4.66 (#peak 3354)
&rst
ixpk= 3354, nxpk= 0, iat= -1,1682, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=1665,1666,
&end
#
# 105 ARG QG 109 GLN HG2 4.29 (#peak 3288)
&rst
ixpk= 3288, nxpk= 0, iat= -1,1747, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1=1665,1666,
&end
#
# 105 ARG QG 109 GLN HG3 3.83 (#peak 620)
&rst
ixpk= 620, nxpk= 0, iat= -1,1748, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=1665,1666,
&end
#
# 105 ARG QD 109 GLN QE2 3.45 (#peak 91)
&rst
ixpk= 91, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1=1668,1669,
igr2=1752,1753,
&end
#
# 106 LEU HA 109 GLN QB 4.55 (#peak 1077)
&rst
ixpk= 1077, nxpk= 0, iat=1684, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2=1744,1745,
&end
#
# 107 ARG HA 107 ARG QG 3.49 (#peak 1465)
&rst
ixpk= 1465, nxpk= 0, iat=1703, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1708,1709,
&end
#
# 107 ARG HA 107 ARG QD 4.39 (#peak 3282)
&rst
ixpk= 3282, nxpk= 0, iat=1703, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2=1711,1712,
&end
#
# 107 ARG HB3 108 GLU QG 3.54 (#peak 1032)
&rst
ixpk= 1032, nxpk= 0, iat=1706, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2=1732,1733,
&end
#
# 108 GLU HA 108 GLU QG 3.30 (#peak 568)
&rst
ixpk= 568, nxpk= 0, iat=1727, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1732,1733,
&end
#
# 108 GLU QG 109 GLN HN 3.81 (#peak 569)
&rst
ixpk= 569, nxpk= 0, iat= -1,1740, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1=1732,1733,
&end
#
# 109 GLN QB 109 GLN QE2 4.21 (#peak 746)
&rst
ixpk= 746, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1744,1745,
igr2=1752,1753,
&end
#
# 109 GLN QB 110 GLY HN 4.09 (#peak 793)
&rst
ixpk= 793, nxpk= 0, iat= -1,1757, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1=1744,1745,
&end
#
# 109 GLN HG2 109 GLN QE2 3.56 (#peak 623)
&rst
ixpk= 623, nxpk= 0, iat=1747, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1752,1753,
&end
#
# 111 GLY QA 112 ALA QB 4.50 (#peak 2351)
&rst
ixpk= 2351, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1766,1767,
igr2=1775,1776,1777,
&end
#
# 111 GLY QA 113 VAL HN 4.78 (#peak 1003)
&rst
ixpk= 1003, nxpk= 0, iat= -1,1781, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1766,1767,
&end
#
# 111 GLY QA 114 LEU HB2 4.77 (#peak 7)
&rst
ixpk= 7, nxpk= 0, iat= -1,1801, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1=1766,1767,
&end
#
# 111 GLY QA 114 LEU QD1 4.32 (#peak 1533)
&rst
ixpk= 1533, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1=1766,1767,
igr2=1806,1807,1808,
&end
#
# 112 ALA HA 115 ARG QB 3.51 (#peak 2086)
&rst
ixpk= 2086, nxpk= 0, iat=1773, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=1820,1821,
&end
#
# 112 ALA HA 115 ARG QG 4.60 (#peak 1307)
&rst
ixpk= 1307, nxpk= 0, iat=1773, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1823,1824,
&end
#
# 115 ARG HN 115 ARG QB 3.20 (#peak 150)
&rst
ixpk= 150, nxpk= 0, iat=1816, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1820,1821,
&end
#
# 115 ARG HN 115 ARG QG 4.04 (#peak 1308)
&rst
ixpk= 1308, nxpk= 0, iat=1816, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1823,1824,
&end
#
# 115 ARG HA 115 ARG QG 3.17 (#peak 1466)
&rst
ixpk= 1466, nxpk= 0, iat=1818, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2=1823,1824,
&end
#
# 115 ARG HA 115 ARG QD 4.44 (#peak 108)
&rst
ixpk= 108, nxpk= 0, iat=1818, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=1826,1827,
&end
#
# 115 ARG HA 118 ARG QD 5.04 (#peak 1463)
&rst
ixpk= 1463, nxpk= 0, iat=1818, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1877,1878,
&end
#
# 115 ARG QB 115 ARG QD 3.22 (#peak 76)
&rst
ixpk= 76, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1=1820,1821,
igr2=1826,1827,
&end
#
# 115 ARG QB 116 GLN HN 3.40 (#peak 352)
&rst
ixpk= 352, nxpk= 0, iat= -1,1840, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1=1820,1821,
&end
#
# 115 ARG QG 116 GLN HN 4.32 (#peak 1346)
&rst
ixpk= 1346, nxpk= 0, iat= -1,1840, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1823,1824,
&end
#
# 116 GLN HA 119 ARG QG 4.03 (#peak 1697)
&rst
ixpk= 1697, nxpk= 0, iat=1842, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=1898,1899,
&end
#
# 117 ALA HA 120 GLN QE2 4.12 (#peak 739)
&rst
ixpk= 739, nxpk= 0, iat=1859, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1927,1928,
&end
#
# 117 ALA QB 120 GLN QE2 4.28 (#peak 743)
&rst
ixpk= 743, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1861,1862,1863,
igr2=1927,1928,
&end
#
# 118 ARG HN 118 ARG QB 3.39 (#peak 190)
&rst
ixpk= 190, nxpk= 0, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2=1871,1872,
&end
#
# 118 ARG QB 118 ARG QD 3.32 (#peak 124)
&rst
ixpk= 124, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1=1871,1872,
igr2=1877,1878,
&end
#
# 118 ARG QB 118 ARG HE 3.82 (#peak 1020)
&rst
ixpk= 1020, nxpk= 0, iat= -1,1880, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1=1871,1872,
&end
#
# 118 ARG QB 119 ARG HN 3.69 (#peak 399)
&rst
ixpk= 399, nxpk= 0, iat= -1,1891, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1=1871,1872,
&end
#
# 118 ARG QG 122 GLU QG 4.01 (#peak 524)
&rst
ixpk= 524, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1874,1875,
igr2=1949,1950,
&end
#
# 118 ARG QD 118 ARG QH1 3.35 (#peak 119)
&rst
ixpk= 119, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1=1877,1878,
igr2=1883,1884,
&end
#
# 119 ARG HA 119 ARG QG 3.49 (#peak 1411)
&rst
ixpk= 1411, nxpk= 0, iat=1893, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1898,1899,
&end
#
# 119 ARG QG 120 GLN HN 4.57 (#peak 3432)
&rst
ixpk= 3432, nxpk= 0, iat= -1,1915, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=1898,1899,
&end
#
# 120 GLN HN 123 LYS QG 5.13 (#peak 337)
&rst
ixpk= 337, nxpk= 0, iat=1915, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1964,1965,
&end
#
# 120 GLN HA 123 LYS QG 3.74 (#peak 1841)
&rst
ixpk= 1841, nxpk= 0, iat=1917, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1964,1965,
&end
#
# 120 GLN HB2 120 GLN QE2 4.33 (#peak 741)
&rst
ixpk= 741, nxpk= 0, iat=1919, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1927,1928,
&end
#
# 120 GLN HB3 120 GLN QE2 4.28 (#peak 742)
&rst
ixpk= 742, nxpk= 0, iat=1920, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1927,1928,
&end
#
# 120 GLN HG2 120 GLN QE2 3.48 (#peak 740)
&rst
ixpk= 740, nxpk= 0, iat=1922, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2=1927,1928,
&end
#
# 121 ALA HA 124 MET QG 3.52 (#peak 820)
&rst
ixpk= 820, nxpk= 0, iat=1934, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=1986,1987,
&end
#
# 121 ALA QB 122 GLU QG 4.43 (#peak 2370)
&rst
ixpk= 2370, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1936,1937,1938,
igr2=1949,1950,
&end
#
# 122 GLU HN 122 GLU QG 3.25 (#peak 517)
&rst
ixpk= 517, nxpk= 0, iat=1942, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2=1949,1950,
&end
#
# 122 GLU HA 122 GLU QG 3.30 (#peak 1700)
&rst
ixpk= 1700, nxpk= 0, iat=1944, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1949,1950,
&end
#
# 123 LYS HN 123 LYS QG 3.36 (#peak 1831)
&rst
ixpk= 1831, nxpk= 0, iat=1957, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1964,1965,
&end
#
# 123 LYS HA 123 LYS QG 3.56 (#peak 1832)
&rst
ixpk= 1832, nxpk= 0, iat=1959, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1964,1965,
&end
#
# 123 LYS QG 123 LYS QE 2.96 (#peak 225)
&rst
ixpk= 225, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr1=1964,1965,
igr2=1970,1971,
&end
#
# 123 LYS QG 124 MET HN 5.08 (#peak 306)
&rst
ixpk= 306, nxpk= 0, iat= -1,1979, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1964,1965,
&end
#
# 124 MET HN 124 MET QG 3.20 (#peak 311)
&rst
ixpk= 311, nxpk= 0, iat=1979, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1986,1987,
&end
#
# 124 MET HA 124 MET QG 3.42 (#peak 1956)
&rst
ixpk= 1956, nxpk= 0, iat=1981, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2=1986,1987,
&end
#
# 124 MET QG 125 GLY HN 4.03 (#peak 943)
&rst
ixpk= 943, nxpk= 0, iat= -1,1996, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1=1986,1987,
&end
#
# 127 GLY HN 128 PRO QD 4.41 (#peak 2760)
&rst
ixpk= 2760, nxpk= 0, iat=2014, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=2022,2023,
&end
#
# 127 GLY QA 128 PRO QG 4.04 (#peak 55)
&rst
ixpk= 55, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=2016,2017,
igr2=2025,2026,
&end
#
# 127 GLY QA 128 PRO QD 2.64 (#peak 2417)
&rst
ixpk= 2417, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr1=2016,2017,
igr2=2022,2023,
&end
#
# 128 PRO QB 129 SER HN 3.86 (#peak 682)
&rst
ixpk= 682, nxpk= 0, iat= -1,2035, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=2028,2029,
&end
#
# 129 SER QB 130 SER HN 3.86 (#peak 650)
&rst
ixpk= 650, nxpk= 0, iat= -1,2046, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=2039,2040,
&end
#
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